#DEFINITION	Reference Metabolome for Ziziphus jujuba
#IDENTTFIER	RefMeta-Ziziphus jujuba.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Ziziphus jujuba
#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 Ziziphus jujuba was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91666	0.1
70.51965	0.6
71.01412	0.4
72.09154	0.1
73.48822	0.2
74.63801	0.1
75.68970	0.1
75.75786	0.1
89.02467	0.1
89.45844	0.1
91.41241	0.1
91.88004	0.1
96.96046	1.0
99.92621	0.2
112.93726	0.2
116.92899	0.5
137.71750	0.1
171.10281	0.2
204.38219	0.1
209.11859	0.2
227.12543	0.2
271.20407	0.2
277.21823	0.4
289.18225	0.2
291.19626	0.2
293.21082	0.2
295.20544	0.3
307.12332	0.1
309.21027	0.2
347.39905	0.2
363.26913	0.6
391.29947	1.1
397.13446	0.5
421.31073	1.4
422.31439	0.4
437.30710	1.8
438.31039	0.4
439.32169	17.8
440.32596	2.5
441.32941	0.2
483.31168	100.0
484.31512	16.0
485.31802	0.9
513.32025	0.2
515.33765	36.3
516.34119	6.0
944.11682	0.2
999.47375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49828	0.2
69.50236	0.4
71.05022	0.1
87.26347	0.1
95.86433	0.0
96.96027	0.1
132.86023	0.1
175.11267	0.2
189.12885	0.4
195.61400	0.1
209.11688	0.1
211.11075	0.1
211.84639	0.1
277.21750	0.2
291.19672	0.1
309.75146	0.1
327.61325	0.1
355.26456	1.4
356.26892	0.1
363.26917	0.1
377.28503	0.5
378.28833	0.1
379.30096	0.5
393.31702	0.2
395.33517	0.3
396.33600	0.1
397.30984	0.2
397.35269	0.1
407.30008	0.1
413.27087	0.1
413.34265	0.3
421.31073	0.2
423.29013	5.5
423.33194	2.3
424.28625	0.9
424.33755	0.3
425.30536	0.3
439.32190	13.1
440.32556	2.1
441.33789	4.5
442.33984	0.7
455.31989	0.1
457.33032	0.1
459.35101	0.1
467.31625	0.6
483.31137	1.3
484.31512	0.9
485.32721	100.0
486.33069	14.5
499.30515	0.2
513.32233	0.4
999.52612	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	999.6601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50407	0.5
69.50837	0.8
71.01406	0.3
79.95853	0.1
82.51878	0.1
83.31248	0.1
94.92603	0.1
94.98091	0.2
95.05065	0.4
96.96069	0.5
108.07454	0.1
114.05599	0.1
127.07718	0.2
145.76688	0.1
165.25868	0.1
197.11925	0.1
211.13332	0.2
277.21628	0.3
291.19864	0.2
293.21567	0.1
296.82800	0.1
309.20670	0.5
335.63562	0.1
395.33157	0.3
397.13431	0.4
398.13885	0.1
401.27225	0.4
404.32404	0.1
423.32748	6.9
424.33157	1.1
439.32196	0.7
440.32556	0.3
441.33743	0.8
442.34198	0.1
469.33102	0.5
483.30881	0.3
484.31555	0.4
485.32712	100.0
486.33066	14.5
513.32184	78.0
514.32544	11.6
515.32739	0.3
656.47321	0.1
675.70233	0.1
862.60828	0.2
913.62280	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	999.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14608	0.6
70.15024	0.2
71.01389	10.1
72.01743	0.2
72.99323	0.9
73.02967	1.4
75.00876	0.2
80.02679	0.2
81.03466	0.6
83.01413	0.9
83.05028	0.4
85.02966	2.7
87.00887	2.3
89.02456	6.9
90.02772	0.2
93.03468	0.2
93.07129	0.3
94.98087	0.2
95.01416	0.9
96.96026	0.5
97.02969	3.1
97.06593	0.4
99.00901	0.7
101.02461	6.8
109.02934	0.2
109.06611	0.7
111.04570	0.2
111.08179	7.9
112.08552	0.3
113.02473	3.5
119.03518	1.9
119.05005	0.2
123.04541	0.3
123.08184	0.3
125.02470	2.4
125.06111	0.3
125.09761	0.6
127.07671	1.1
131.03525	0.4
133.05083	0.2
137.09724	0.6
141.01942	0.3
141.09172	0.2
143.03539	1.4
149.04544	0.2
149.09634	0.2
151.11357	0.4
153.09264	0.5
153.12843	1.1
155.10805	0.2
161.04578	2.0
163.11345	0.9
165.12860	1.5
165.34723	0.2
167.03558	0.2
167.10748	0.3
167.14388	0.2
169.12354	3.8
171.10316	1.8
179.05629	2.4
179.10771	0.7
179.14377	0.3
181.12340	1.3
183.13942	1.0
185.11882	0.3
191.14438	0.3
193.12364	0.6
193.16064	0.2
195.13945	0.3
195.52351	0.2
196.47284	0.2
197.11852	38.8
198.12172	2.0
199.13431	1.9
207.10408	0.2
209.11870	0.7
211.13419	6.0
212.13773	0.4
221.06750	1.0
221.11946	0.2
223.13353	0.4
227.12885	1.9
235.08246	2.2
239.12869	0.2
247.20665	1.1
253.09248	0.5
263.07639	0.3
263.20126	2.8
264.20453	0.4
265.18143	1.1
273.18658	1.4
277.21860	0.2
278.47357	0.2
287.07742	0.8
291.19666	19.9
292.20013	1.9
293.21173	0.3
305.08856	0.8
309.20724	100.0
310.21078	8.0
310.24835	0.2
314.78085	0.2
323.09976	0.6
327.21802	0.2
333.20724	0.4
341.10928	0.2
379.12415	0.9
384.01080	0.2
397.13535	21.5
398.13916	1.4
415.14606	13.5
416.15024	1.1
471.35095	0.2
529.31580	0.2
577.23920	0.2
595.26495	0.5
601.41101	2.5
602.41669	0.2
689.34155	2.4
690.34326	0.3
703.43304	0.2
707.35236	5.0
708.35870	0.7
999.55847	0.4
1000.51770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14608	0.6
70.15024	0.2
71.01389	10.1
72.01743	0.2
72.99323	0.9
73.02967	1.4
75.00876	0.2
80.02679	0.2
81.03466	0.6
83.01413	0.9
83.05028	0.4
85.02966	2.7
87.00887	2.3
89.02456	6.9
90.02772	0.2
93.03468	0.2
93.07129	0.3
94.98087	0.2
95.01416	0.9
96.96026	0.5
97.02969	3.1
97.06593	0.4
99.00901	0.7
101.02461	6.8
109.02934	0.2
109.06611	0.7
111.04570	0.2
111.08179	7.9
112.08552	0.3
113.02473	3.5
119.03518	1.9
119.05005	0.2
123.04541	0.3
123.08184	0.3
125.02470	2.4
125.06111	0.3
125.09761	0.6
127.07671	1.1
131.03525	0.4
133.05083	0.2
137.09724	0.6
141.01942	0.3
141.09172	0.2
143.03539	1.4
149.04544	0.2
149.09634	0.2
151.11357	0.4
153.09264	0.5
153.12843	1.1
155.10805	0.2
161.04578	2.0
163.11345	0.9
165.12860	1.5
165.34723	0.2
167.03558	0.2
167.10748	0.3
167.14388	0.2
169.12354	3.8
171.10316	1.8
179.05629	2.4
179.10771	0.7
179.14377	0.3
181.12340	1.3
183.13942	1.0
185.11882	0.3
191.14438	0.3
193.12364	0.6
193.16064	0.2
195.13945	0.3
195.52351	0.2
196.47284	0.2
197.11852	38.8
198.12172	2.0
199.13431	1.9
207.10408	0.2
209.11870	0.7
211.13419	6.0
212.13773	0.4
221.06750	1.0
221.11946	0.2
223.13353	0.4
227.12885	1.9
235.08246	2.2
239.12869	0.2
247.20665	1.1
253.09248	0.5
263.07639	0.3
263.20126	2.8
264.20453	0.4
265.18143	1.1
273.18658	1.4
277.21860	0.2
278.47357	0.2
287.07742	0.8
291.19666	19.9
292.20013	1.9
293.21173	0.3
305.08856	0.8
309.20724	100.0
310.21078	8.0
310.24835	0.2
314.78085	0.2
323.09976	0.6
327.21802	0.2
333.20724	0.4
341.10928	0.2
379.12415	0.9
384.01080	0.2
397.13535	21.5
398.13916	1.4
415.14606	13.5
416.15024	1.1
471.35095	0.2
529.31580	0.2
577.23920	0.2
595.26495	0.5
601.41101	2.5
602.41669	0.2
689.34155	2.4
690.34326	0.3
703.43304	0.2
707.35236	5.0
708.35870	0.7
999.55847	0.4
1000.51770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.52
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	20.8
71.42653	0.4
72.01711	0.2
72.99318	2.4
73.02954	13.7
74.03287	0.3
75.00876	0.4
81.03465	0.4
83.00893	0.3
83.01398	5.8
83.05053	0.2
84.01734	0.2
85.02962	13.1
86.00114	0.7
86.03324	0.3
87.00891	1.7
87.04522	0.2
89.02455	6.9
95.01398	0.9
95.70543	0.1
97.02976	0.7
97.27558	0.1
99.00906	1.2
99.04540	0.3
101.02460	27.8
102.02785	0.6
103.04031	1.9
109.02969	0.5
111.00906	0.2
112.01682	0.4
113.02468	6.7
114.02780	0.2
115.04052	0.2
119.03521	3.0
119.04962	0.2
119.51115	0.1
125.02451	0.7
127.04029	0.9
131.03525	25.1
132.03860	0.5
143.03520	1.7
149.02467	0.3
149.04565	1.4
155.03548	0.4
161.02496	0.4
161.04570	3.4
163.06160	0.5
165.01851	0.1
165.05470	0.2
179.05653	3.7
203.05525	0.3
205.07207	0.2
221.06580	1.1
223.06181	0.2
298.42484	0.2
313.21826	0.3
329.24896	0.5
331.26541	0.3
373.27606	0.3
385.27414	0.4
401.26901	0.5
408.46109	0.1
427.28601	0.5
437.33539	0.2
463.30670	5.9
464.30911	1.0
505.31772	0.2
507.29593	0.6
569.39453	0.2
573.34229	0.8
591.35352	2.4
592.36615	0.2
609.36584	100.0
610.36945	18.2
613.26453	0.4
631.28033	0.2
651.37610	5.9
652.38013	1.4
674.15350	0.2
715.44727	0.2
733.45435	1.6
734.46564	0.3
795.45581	0.4
877.49969	0.6
895.50854	2.6
896.51135	1.0
913.51996	3.0
914.51959	0.8
937.51154	0.5
939.49634	0.5
953.52100	0.4
955.53162	16.7
956.53503	5.7
957.50513	0.5
958.51526	0.2
967.36102	0.4
999.49225	0.2
1000.41266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	18.9
71.71516	0.5
72.01751	0.3
72.99313	2.9
73.02538	0.3
73.02955	5.6
75.00884	0.5
81.03465	0.8
83.01393	5.8
84.02173	0.3
85.02962	14.5
86.00111	0.7
86.03269	0.3
87.00884	2.0
87.04514	0.4
88.98821	0.4
89.02454	6.9
93.03460	0.5
95.01405	2.0
97.02956	2.1
99.00913	1.6
99.04531	0.5
101.02458	22.1
102.02807	0.4
103.03999	1.5
108.02148	0.3
109.02967	1.5
111.00912	0.4
111.04526	0.3
112.01698	0.4
113.02467	9.7
115.04031	0.4
116.92883	0.5
119.03528	2.8
119.05034	0.4
121.02959	0.6
122.06145	0.6
125.02480	2.0
127.04043	1.5
131.03525	20.8
133.02995	0.3
134.03879	0.3
135.04552	0.4
137.02466	1.2
139.00380	0.2
142.06529	0.2
143.03522	3.5
145.03033	0.3
145.05029	0.4
149.02501	0.4
149.04529	0.5
151.04007	0.4
155.03513	0.7
161.02440	0.8
161.04593	2.9
163.06096	0.6
165.05492	0.4
167.03513	1.1
179.03545	0.4
179.05620	2.3
185.04510	1.5
205.05287	0.4
209.04497	0.4
221.06529	0.3
277.09680	0.4
287.07495	0.3
289.09305	1.9
292.12204	0.3
303.14447	0.9
312.54599	0.3
313.21814	0.3
329.24802	0.3
345.15530	0.8
373.11392	0.5
373.27490	0.5
385.27457	0.3
389.38129	0.3
427.28360	0.4
463.30634	5.7
464.30951	0.9
507.29578	1.1
508.21088	0.3
525.17310	0.4
573.34338	0.7
574.34644	0.3
583.35944	0.3
591.35406	2.8
592.35229	0.4
609.36578	100.0
610.36932	19.6
613.26990	0.3
631.27948	2.6
632.28088	0.3
635.34521	0.3
649.39630	0.7
651.37683	6.0
652.38232	1.4
673.29224	0.7
793.43640	0.5
795.45801	3.5
796.45959	1.0
877.49054	0.3
895.51422	1.2
896.51031	0.3
913.53003	1.3
914.52228	0.5
927.51434	0.3
937.51373	0.3
939.49915	6.9
940.50543	2.5
955.53259	6.0
956.53845	2.5
957.50879	3.9
958.51233	1.5
999.52460	2.2
1000.51355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	75.1
72.01723	1.0
72.99319	9.4
73.02532	0.9
73.02952	19.2
75.00882	1.5
77.03989	0.5
78.41948	0.5
81.03458	2.6
83.00895	1.1
83.01398	23.8
83.05019	0.9
83.33511	0.5
84.01736	0.7
84.02194	0.5
85.02962	43.6
86.00111	3.0
86.03288	1.3
87.00887	12.0
87.04540	2.3
89.02460	26.4
91.95596	0.5
93.03467	2.4
95.01402	11.5
95.05067	0.5
96.99313	0.6
97.02969	12.9
98.03356	0.6
99.00896	8.0
99.04543	2.2
101.02460	55.2
102.02791	1.1
103.00385	0.6
103.04019	6.1
107.05048	0.7
108.02155	0.6
109.02975	6.9
110.03364	0.5
111.00903	3.4
112.01678	2.0
113.02469	42.6
114.02805	1.0
115.04044	2.0
119.03524	7.5
119.05001	0.7
121.02986	2.7
123.04539	1.4
124.01637	0.7
125.02467	12.1
127.04032	3.8
129.01929	0.8
131.03525	16.0
135.04561	1.0
136.68173	0.5
137.02478	7.9
138.02876	0.7
139.04027	1.3
141.01967	1.4
142.02740	1.1
143.03526	19.4
145.02803	0.5
145.05078	1.7
147.04541	0.6
149.02437	4.5
149.04445	0.7
151.04015	1.3
155.03520	3.7
159.03023	1.3
161.02498	1.0
161.04581	10.1
163.03981	0.9
163.06165	2.6
167.03510	8.0
169.94878	0.5
173.29601	0.6
179.03506	3.0
179.05652	1.1
185.04562	10.2
191.03545	1.0
205.07184	1.2
209.04597	1.6
230.45229	0.7
233.06636	1.0
248.62714	0.5
275.07910	0.5
287.07684	1.8
287.10541	0.6
289.09308	12.1
290.09744	0.9
295.08249	0.6
303.14594	0.7
331.10504	0.9
369.28577	0.6
373.11356	2.1
385.31165	0.5
455.35199	1.2
463.30585	1.3
464.30862	0.8
473.36417	9.0
474.36935	1.5
497.76428	0.5
583.36646	1.7
587.39520	1.0
591.35828	0.9
605.40662	6.2
606.41144	1.0
609.36560	26.8
610.36743	4.2
649.39532	5.2
650.39923	1.2
651.37482	1.4
733.45575	2.6
749.45422	2.4
751.46692	1.7
752.46924	0.7
767.46246	5.7
768.46417	1.2
777.44458	1.1
793.44391	4.0
794.44000	1.1
795.45630	26.5
796.45746	5.1
797.05347	0.6
811.45026	1.1
812.45026	0.6
837.46539	2.1
865.49030	0.6
879.49390	1.2
895.50928	56.2
896.51196	13.7
897.50256	0.7
903.48383	0.8
913.51947	47.6
914.52185	11.9
939.49792	53.7
940.50281	13.9
955.53143	100.0
956.53418	28.9
957.51093	32.6
958.51245	8.6
999.52295	8.8
1000.52899	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	999.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03812	0.4
71.01389	82.1
71.05045	0.5
71.71129	0.5
71.71502	0.3
72.01721	1.6
72.99314	10.9
73.02953	20.2
75.00883	1.6
77.03960	0.4
79.01871	0.6
81.03465	6.5
83.01398	46.1
83.05035	2.0
84.01734	0.8
84.02196	0.4
85.02962	56.2
86.00096	1.7
86.03304	1.1
87.00888	18.9
87.04529	2.7
88.01196	0.4
89.02456	28.1
93.03470	8.3
95.01401	27.1
95.05045	1.2
96.01725	0.4
96.99329	3.0
97.02968	35.6
98.03321	0.8
99.00898	12.8
99.04532	3.2
100.84574	0.3
101.02459	60.8
102.02814	1.2
103.04029	7.6
105.03475	0.5
107.01387	0.5
107.05055	1.6
108.02204	1.6
109.02972	18.3
110.03288	0.3
111.00908	5.8
111.04531	3.4
112.01678	1.1
113.02469	79.0
114.02779	1.4
115.04038	4.2
117.01943	0.7
117.03445	0.6
119.02662	0.3
119.03522	9.2
119.05013	0.8
121.02974	9.3
123.00872	1.6
123.04532	3.8
123.08173	0.6
124.01678	1.3
125.02468	37.6
126.02794	1.1
127.04028	8.2
129.01961	0.9
131.03517	4.7
133.02972	0.9
134.03697	0.3
135.00900	0.6
135.04533	1.8
135.08218	0.3
136.01685	1.1
137.02467	25.2
137.06099	0.4
138.02805	0.7
139.00392	0.8
139.04048	3.8
141.01967	3.5
142.02750	1.8
143.03525	64.5
144.03882	1.7
145.02983	0.7
145.05072	2.9
147.04530	0.7
149.02469	11.7
149.04488	0.7
150.02893	0.5
151.04041	4.7
151.74347	0.3
153.01990	0.7
155.03531	11.6
156.03802	0.3
157.05061	0.6
159.02994	0.8
161.02632	1.9
161.04581	18.7
162.04948	0.6
163.04147	1.4
163.06149	6.7
165.01932	1.6
165.05652	0.6
167.03523	23.6
168.03819	1.0
169.05055	0.5
175.04146	0.5
178.02740	0.3
179.03519	11.3
179.05606	4.0
180.03940	0.3
181.05051	1.2
185.04570	33.8
186.04860	1.5
187.06110	0.3
191.03545	2.0
193.05072	0.5
197.04535	1.2
203.03627	0.3
203.05574	0.3
205.05272	0.5
205.07141	1.6
209.04570	7.1
210.04909	0.4
217.07225	0.8
223.06163	0.5
227.05626	1.6
233.04477	0.4
233.06653	1.3
239.05704	1.3
241.07045	0.4
243.08792	0.6
247.08162	0.9
251.05685	0.6
257.06641	2.4
259.08200	0.3
261.09735	0.9
269.06631	1.2
271.08282	1.1
275.07672	1.6
283.16949	0.3
287.07727	8.1
288.07953	0.4
289.09296	43.0
290.09598	2.9
295.08270	2.3
297.22302	0.9
299.20087	0.4
305.08826	1.2
311.20239	0.6
331.10330	2.8
343.10474	0.4
343.22861	0.4
355.10144	0.4
373.11398	5.6
391.30026	0.6
419.29245	0.4
421.31082	0.8
433.13290	0.4
439.32379	0.6
451.14572	0.4
451.28836	0.3
453.30164	1.9
455.31677	12.5
456.31839	2.5
467.31622	5.2
468.32028	0.6
485.32562	1.6
487.30347	2.3
487.34335	4.7
488.34723	0.9
499.30661	0.7
511.33267	0.3
531.33301	4.2
532.33624	0.7
557.35486	0.7
565.34802	0.3
583.36444	22.4
584.36847	4.0
595.36224	1.2
613.37811	1.6
615.39520	0.3
621.40277	0.5
631.38739	2.9
632.39270	0.5
649.39642	16.9
650.40009	2.7
691.41266	0.6
775.43060	3.6
776.43530	0.9
777.44543	2.0
778.44800	0.4
793.44171	22.1
794.44434	4.7
795.45636	67.7
796.45972	14.8
811.45099	12.5
812.45282	2.5
837.46875	6.9
838.47046	1.6
853.45966	4.8
854.46832	1.1
865.45862	0.5
891.47839	0.4
895.51617	0.6
903.47729	0.7
913.51910	3.7
914.51501	1.3
921.48456	1.0
939.49817	100.0
940.50317	27.1
955.53088	0.9
957.51025	84.5
958.51373	23.7
999.52094	28.2
1000.52386	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	998.573
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71127	100.0
87.96824	40.3
88.31503	42.6
117.13763	43.7
169.26538	49.3
177.84705	51.6
218.23228	48.5
222.70894	44.9
323.04556	51.6
564.75073	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	997.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	3.6
71.01389	58.9
72.99309	4.8
73.02956	24.3
75.00885	1.5
81.03442	1.9
83.01393	21.4
83.05058	2.5
85.02966	36.8
86.00087	1.7
87.00894	10.7
89.02455	12.2
93.03475	1.8
95.01396	7.7
96.96032	2.7
97.02962	8.5
99.00893	11.3
101.02460	42.7
102.02857	1.2
103.04003	2.5
109.02968	1.8
112.01669	1.6
113.02477	32.8
119.03503	4.1
119.08669	4.6
125.02467	11.7
125.09686	2.6
127.04038	1.4
131.03523	2.7
135.08156	4.2
137.02446	1.1
143.03517	9.3
159.02982	2.8
161.04575	11.9
163.06178	1.8
171.09010	1.4
171.10272	8.8
179.05618	2.3
197.11853	2.3
209.11850	2.4
211.13391	1.4
229.32858	1.8
233.06570	2.0
234.82028	1.1
266.14539	1.1
273.18320	1.2
284.72885	1.3
289.18042	11.4
291.19675	7.1
307.19168	8.1
309.20749	18.4
310.20944	2.1
397.13467	9.8
398.14316	1.5
415.14618	3.3
485.32672	2.0
537.39264	1.8
603.42456	3.4
687.32623	2.8
688.32983	1.6
690.33148	1.3
747.47522	11.2
748.47937	2.7
749.48645	34.6
750.49530	6.4
765.47998	3.3
791.49963	2.6
807.48962	2.6
815.51300	1.4
856.88202	1.5
893.52924	42.0
894.53436	11.8
911.54010	50.6
912.54382	13.7
937.51154	1.3
949.38629	1.2
953.55219	100.0
954.55432	32.8
979.52832	8.4
980.53387	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	997.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.0
71.01385	25.6
72.99310	4.9
73.02953	10.5
75.00821	0.6
79.95672	0.4
81.03414	1.3
82.77205	0.4
82.95380	1.0
83.01395	4.4
83.04993	0.8
85.02957	18.2
86.00108	2.8
86.03260	0.6
87.00900	2.7
87.04481	0.6
89.02472	5.0
92.82327	0.5
95.01399	0.5
96.95989	0.7
97.02909	0.9
99.00845	2.0
99.04452	0.8
101.02455	24.9
102.02781	0.6
103.03981	1.4
103.04658	0.5
109.02921	1.2
111.13349	0.4
113.02474	2.3
119.03449	1.3
119.04989	0.6
123.08107	1.7
125.02393	0.6
127.03957	2.0
131.03523	25.4
135.04507	0.5
143.03465	0.6
145.05003	1.9
161.02402	1.0
163.06055	0.6
185.04497	1.6
190.02634	0.5
205.05081	0.5
209.11755	0.8
230.00499	0.7
259.49857	0.5
293.09344	0.6
317.24857	7.0
321.08640	0.6
359.25803	0.8
371.25616	1.1
389.26849	2.5
423.32538	1.0
427.11417	0.5
453.33832	1.4
471.34625	1.9
515.33569	0.5
603.39166	2.7
604.39075	0.7
647.38452	0.9
731.43707	2.0
749.45111	5.0
750.44080	0.6
791.46863	0.7
877.49872	72.0
878.50104	18.0
893.48248	0.5
895.50873	58.9
896.51166	14.7
937.51898	100.0
938.52240	29.1
955.52222	0.8
961.52917	1.1
997.52911	2.1
998.51715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	2.4
69.99768	1.3
71.01384	20.1
71.01942	0.5
72.01672	0.4
72.02084	0.2
72.99317	3.5
73.02950	12.8
73.03336	0.4
74.03257	0.2
75.00835	0.3
81.03422	0.9
83.01395	4.9
83.04994	0.3
85.02958	17.6
86.00111	2.4
86.03239	0.4
86.84020	0.2
87.00888	1.4
87.04483	0.7
89.02459	5.1
95.01336	0.6
97.02911	0.7
99.00909	1.4
99.04475	0.7
99.85130	0.2
101.02455	24.3
102.02747	0.5
103.04013	2.8
106.03654	0.2
109.02866	0.7
112.01673	0.4
113.02464	1.9
115.03985	0.4
119.03455	0.9
119.91388	0.2
123.08083	0.9
125.02370	0.3
127.04046	1.1
131.03520	23.2
132.03819	0.5
143.03558	0.3
145.05086	1.7
160.72945	0.2
161.02371	0.3
161.04529	0.2
163.06075	0.9
317.24866	6.1
318.25153	0.8
327.23337	0.3
329.24847	0.3
339.26740	0.3
359.25778	0.6
371.25864	1.1
389.27005	2.5
423.32529	0.9
435.32922	0.6
449.29059	0.3
453.33780	1.2
454.33762	0.3
471.34760	2.4
472.35123	0.4
515.33875	0.5
521.31311	0.4
528.08337	0.2
603.39069	2.5
604.39166	0.6
617.40588	0.3
647.37866	0.4
731.44055	1.9
732.44031	0.3
749.45209	3.9
750.45642	0.9
791.46027	0.7
793.43610	0.4
877.49878	65.4
878.50183	17.8
895.50897	43.1
896.51215	10.6
937.51898	100.0
938.52228	30.7
955.49835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.2
70.46408	1.0
70.70358	0.3
71.01389	23.3
72.01725	0.4
72.99310	3.5
73.02955	8.5
75.00880	0.6
81.03461	1.7
83.01396	7.6
85.02962	26.0
86.00089	1.7
87.00890	4.1
87.04508	0.6
89.02461	6.3
93.03453	0.5
95.01400	3.1
97.02967	2.7
99.00918	2.7
99.04543	1.6
101.02460	24.1
102.02766	0.4
103.04022	3.0
107.22884	0.3
109.02960	1.5
111.00875	1.1
111.04509	0.4
112.01691	1.1
113.02468	19.5
114.02819	0.3
115.04036	0.5
119.03522	1.7
123.04513	0.3
125.02474	2.4
127.04079	2.1
131.03528	18.0
137.02475	2.7
143.03508	2.0
145.05141	0.5
155.03537	3.2
161.04619	2.1
163.06107	1.1
179.03499	0.8
179.05605	0.4
208.12085	0.3
231.08687	0.5
233.06673	0.7
259.08194	3.9
260.08453	0.4
275.61826	0.3
301.09311	0.3
309.53860	0.3
317.24744	2.3
317.56897	0.3
371.25958	0.8
389.26898	0.7
423.32831	0.4
469.33090	0.6
471.34161	0.5
502.14102	0.3
512.40717	0.4
515.34015	0.4
567.37134	1.5
603.39136	2.0
604.39465	0.3
647.39001	0.4
673.39948	0.4
718.03912	0.4
719.31482	0.3
729.42358	0.7
731.43933	1.0
737.05103	0.4
747.43628	4.9
748.44159	1.2
749.45093	30.8
750.45435	6.2
765.44275	1.4
791.45728	1.2
819.44830	0.5
857.46893	0.4
863.48785	0.4
873.44324	0.4
875.47668	0.4
877.50970	0.5
893.49365	100.0
894.49664	26.2
911.50433	49.8
912.50714	13.8
937.51813	0.4
953.51587	23.5
954.51788	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	997.505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03372	1.7
71.01301	27.9
71.01940	0.8
71.04950	0.3
71.12992	0.6
72.01687	0.4
72.99224	4.1
72.99659	0.5
73.02864	9.3
73.03321	0.9
75.00838	0.5
81.03437	1.5
83.01299	9.1
83.01849	0.8
85.02862	27.1
85.03685	0.9
86.00013	1.8
86.00531	0.5
86.03226	0.5
87.00790	5.9
87.01360	0.4
87.04401	0.4
89.02353	7.5
89.02952	0.5
93.03397	0.6
95.01395	4.6
97.02851	3.8
99.00886	3.1
99.04420	2.3
101.02458	29.7
101.03394	0.9
102.02679	0.7
103.03894	0.9
107.04952	0.3
109.02965	1.5
111.00900	1.5
111.04449	0.5
112.01697	1.7
113.02466	25.2
113.03207	1.2
113.03565	0.8
114.02695	0.9
115.03930	0.6
119.03522	2.1
121.02852	0.4
123.04483	0.3
123.08073	0.8
124.01589	0.5
125.02474	2.1
127.04053	3.2
129.01868	0.2
131.03523	20.3
131.04422	1.0
132.03780	0.6
137.02457	2.9
139.03857	0.6
143.03519	2.3
145.04951	0.6
148.08786	0.3
149.04456	0.4
151.03879	0.4
155.03545	1.5
159.02943	0.4
161.04584	2.7
163.05980	0.5
167.03447	0.4
179.03343	0.5
179.05481	0.7
231.08675	0.8
233.06374	0.3
259.08243	3.5
266.93674	0.3
317.24973	0.3
327.23154	1.1
329.24799	1.7
335.61304	0.3
347.26022	0.4
386.55859	0.3
423.32623	1.9
425.34076	0.7
435.32779	0.4
453.33902	1.8
469.32910	0.6
472.73410	0.3
487.33557	0.4
501.32364	0.5
537.35583	0.3
541.35254	0.4
567.37177	1.5
603.39191	2.3
604.39288	0.6
647.38263	0.3
747.43402	4.2
748.43805	0.9
749.45099	23.5
750.45496	4.8
751.45490	1.3
765.44653	3.4
766.45239	0.4
789.22992	0.4
791.46478	0.5
807.45374	1.5
808.45129	0.4
819.45538	0.4
863.48169	0.5
876.48376	0.4
877.48956	1.0
893.49359	100.0
894.49689	23.7
895.50244	6.9
896.51373	0.7
911.50403	58.9
912.50745	14.3
912.69208	0.4
913.50128	0.8
937.51831	1.2
953.51575	40.2
954.51843	10.3
955.51202	1.3
997.51978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99474	82.8
71.01395	50.3
85.02967	48.9
87.00892	35.1
89.02443	29.3
101.02504	42.3
121.02954	75.1
125.02461	39.0
147.04684	27.4
209.04590	42.9
209.11855	84.9
210.11830	36.3
223.05066	32.2
265.39835	32.7
289.18085	100.0
290.18542	32.3
746.59747	31.4
996.51984	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.6
70.72618	0.9
71.01386	28.1
72.99312	4.3
73.02953	9.4
75.00882	0.4
81.03479	2.0
83.01394	8.6
84.02172	0.5
85.02959	30.1
86.00106	1.9
86.03308	0.5
87.00887	6.0
87.04524	0.5
89.02454	7.8
93.03449	0.4
95.01408	4.6
97.02968	4.1
98.20512	0.4
99.00900	3.2
99.04534	3.1
101.02456	26.6
103.04022	2.6
107.05012	0.4
109.02958	2.1
111.00895	1.3
111.04491	0.6
112.01654	1.4
113.02467	24.2
114.02779	0.7
115.04005	0.5
119.03522	2.1
121.02976	0.4
123.04534	0.4
123.08202	0.4
125.02464	2.7
127.04028	2.9
131.03519	18.4
132.03818	0.4
137.02454	3.2
139.04088	0.6
143.03513	2.3
145.05087	0.8
151.04065	0.4
155.03531	4.5
161.04565	1.8
163.06123	1.2
179.03485	0.9
179.05699	0.5
231.08688	0.5
233.06650	0.9
257.06763	0.5
259.08264	4.3
268.25702	0.3
301.09317	0.4
327.23337	1.2
329.21536	0.3
329.24915	1.2
377.35318	0.4
384.38950	0.3
388.00119	0.3
423.32532	1.1
435.32550	0.6
453.33600	1.2
469.33420	0.7
567.36652	1.6
568.37280	0.4
603.38885	1.9
604.39136	0.4
729.42755	0.5
731.43921	0.7
747.43372	5.9
748.43799	0.9
749.45099	31.8
750.45569	5.8
765.44476	1.5
766.44116	0.6
791.44843	1.1
863.48187	0.8
875.47717	0.4
893.49329	100.0
894.49701	26.4
895.50476	0.4
911.50391	48.4
912.50757	12.8
912.69293	0.6
953.51532	21.0
954.51794	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	992.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	2.7
70.40024	1.9
71.01385	32.2
71.71360	2.6
72.99318	4.7
73.02950	9.2
75.00859	3.3
83.01376	6.2
85.02957	27.0
87.00888	8.0
87.04536	2.7
88.98826	3.8
89.02458	9.9
97.02971	4.4
99.00880	4.0
101.02460	24.2
102.02777	4.1
109.02982	3.5
113.02461	13.4
115.00407	3.8
119.03503	2.4
119.05021	4.5
119.44815	2.2
125.02432	6.7
127.04007	3.5
129.01949	2.7
131.03499	6.9
133.02991	21.7
134.03810	2.2
135.04533	8.8
137.02487	2.1
142.06630	3.9
143.03523	5.1
145.02942	3.4
147.06651	5.5
149.02405	3.1
150.03156	5.0
156.79836	2.5
160.01723	3.3
161.02464	45.0
161.04550	4.4
162.02800	7.5
163.04068	2.9
165.05548	6.2
174.01656	2.4
175.02515	4.9
175.03958	5.5
179.03488	8.3
179.05597	2.2
195.06647	4.0
200.04155	2.5
204.06660	6.8
209.11794	9.8
211.13416	5.3
270.46219	2.2
310.71848	2.4
329.13794	2.9
329.78897	2.3
631.27588	4.0
913.50970	6.4
914.51605	20.1
915.51971	3.3
930.51727	5.2
931.51630	15.3
932.52148	58.9
933.52832	9.5
946.51453	3.6
957.51691	13.9
992.50818	100.0
993.50665	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	20.7
72.99319	3.2
73.02948	4.5
83.01388	6.4
83.04989	2.5
85.02964	16.8
87.00877	6.7
88.98838	4.4
89.02446	10.4
95.01416	2.6
97.02975	2.8
99.00904	3.7
101.02458	18.3
101.06063	1.9
102.28697	1.8
111.00871	2.5
113.02489	12.5
115.00451	2.4
115.60366	2.0
116.92867	2.7
117.03482	6.8
119.03526	2.7
119.05022	4.1
121.02991	2.9
121.06618	1.9
123.04591	2.2
125.02463	5.7
125.61221	1.8
131.03522	6.6
133.02992	20.0
134.03787	2.7
135.04520	8.1
137.02489	3.8
145.02948	10.2
147.04575	3.2
147.06651	7.3
147.26088	1.8
149.02460	1.8
149.06108	2.2
150.03267	4.1
160.01660	4.9
161.02469	37.1
161.04518	4.3
162.02811	7.4
163.04074	4.7
165.05577	5.2
167.03506	2.8
174.01730	1.9
175.02498	5.2
175.04063	5.9
177.01952	1.9
179.03514	5.5
193.05006	2.3
195.06706	2.4
199.06024	3.0
209.11913	4.5
221.04608	2.1
295.10648	1.9
321.08820	2.0
329.14136	2.0
480.62201	2.0
625.36060	3.1
626.36664	6.1
627.36768	4.9
628.37396	5.1
735.39429	2.9
776.61682	2.4
819.45428	2.3
913.52307	2.3
929.52130	3.6
931.51630	3.8
932.52173	20.0
957.50159	4.5
992.33960	7.1
992.51154	100.0
993.52551	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	992.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	24.9
71.05031	2.6
71.41696	5.7
72.99314	3.7
73.02944	9.7
85.02966	27.3
86.03303	6.2
87.00886	9.6
89.02467	8.8
97.03010	3.1
99.00896	3.1
101.02454	18.5
113.02464	8.3
125.02433	3.8
127.04008	3.6
131.03511	6.6
133.02985	19.0
134.03470	2.1
135.04535	7.9
143.03526	3.5
145.02997	2.8
158.06198	2.8
161.02460	48.1
161.04572	4.4
162.02762	5.1
165.05589	5.3
175.02512	3.7
178.43958	2.6
179.03528	6.1
195.06517	3.7
204.06624	3.4
205.05254	3.2
209.11832	5.6
211.13368	4.1
240.81210	2.4
298.47928	2.3
462.14511	2.3
702.28082	3.0
891.46381	3.2
898.15759	2.8
913.50983	11.5
914.51373	22.6
931.52271	25.0
932.52289	69.3
957.51514	5.6
992.50739	100.0
993.51123	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	992.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	12.4
72.01712	1.3
72.99317	1.1
73.02962	0.9
83.01401	1.8
85.02976	4.6
89.02446	9.4
95.01372	1.1
96.96016	4.3
99.00903	0.9
101.02458	8.1
102.02802	0.9
113.02465	4.5
119.03515	2.7
125.02468	1.3
131.03474	1.4
133.02986	0.8
137.02461	0.8
143.03548	0.8
161.02454	1.9
161.04498	1.6
175.02603	0.8
179.05554	1.6
188.38208	0.6
209.11980	1.0
229.95901	1.2
370.63040	0.8
372.20270	0.9
751.46100	1.9
752.45551	1.1
795.46497	1.5
929.51270	9.7
930.51453	3.6
931.52277	6.9
932.52429	23.4
933.52307	2.1
957.50848	6.3
992.51074	100.0
993.50739	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	992.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	16.8
72.99326	2.9
73.02943	3.3
83.01400	3.0
85.02969	10.7
87.00891	1.5
89.02451	8.3
95.01395	2.0
97.02948	1.4
97.68344	0.9
99.00892	1.8
101.02465	12.3
102.02814	1.2
113.02463	8.6
113.39919	0.9
116.92892	1.4
119.03529	3.1
119.24722	1.0
121.02911	1.3
125.02444	1.3
131.03546	2.7
133.03014	2.2
135.04562	2.1
143.03500	1.8
149.02431	2.3
161.02510	5.3
161.04584	2.8
191.03535	1.1
193.08054	0.9
209.04552	1.8
209.11789	1.2
211.32068	1.0
269.56650	1.0
338.96045	1.0
371.09229	1.1
749.45392	1.1
752.45209	1.2
795.45532	4.8
839.71777	1.2
929.51520	16.0
930.51508	5.3
931.52515	6.3
932.52417	20.2
933.52338	2.4
957.50983	30.1
992.51117	100.0
993.49951	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	13.7
71.70555	1.7
72.99313	1.7
73.02937	3.0
75.00887	3.0
78.58199	1.0
78.91902	2.3
83.01421	1.9
85.02977	6.0
87.00890	2.1
88.98797	3.5
89.02462	8.0
95.01403	1.3
101.02463	10.2
111.00899	1.3
113.02451	6.1
119.03500	3.2
119.05040	1.4
124.79213	1.1
125.02457	3.5
131.03525	3.2
133.02985	3.4
137.02470	1.5
145.02985	1.9
161.02467	10.2
162.03255	1.1
165.05493	1.6
166.02872	1.1
167.03514	1.6
175.04004	1.2
179.03595	2.7
179.05556	1.5
182.65430	1.0
193.05084	1.5
209.11853	3.5
211.13440	1.5
219.04124	1.1
291.51862	1.1
303.04999	1.5
305.06445	1.3
329.13788	1.2
329.23349	1.5
471.34900	2.4
474.12527	1.2
595.95532	1.3
724.82825	1.4
749.41534	1.4
794.40308	1.5
829.42145	2.0
830.43140	1.7
929.52283	9.5
930.51587	4.0
931.52734	9.4
932.52460	27.6
933.51886	2.5
957.50653	3.8
992.51190	100.0
993.51392	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	990.532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.7
71.01392	21.9
71.41328	3.7
72.01727	2.7
72.99335	2.0
73.02961	9.5
75.00898	2.7
83.01402	3.2
85.02969	27.2
86.03307	3.8
87.00922	7.5
89.02463	3.9
95.01394	2.1
99.00882	2.1
101.02456	12.2
102.02798	2.1
106.10235	1.5
113.02470	6.3
125.02465	2.4
127.04051	2.3
131.03529	4.0
135.04514	1.6
161.02472	1.9
208.50482	1.7
450.13910	1.9
450.22742	1.6
927.53217	3.2
928.53510	7.2
929.54059	31.7
930.54047	100.0
931.53009	16.5
990.53119	30.0
991.52722	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	990.6835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94061	0.2
71.01402	0.2
71.72290	0.3
77.92821	0.2
78.95908	1.9
88.98857	0.4
89.02469	0.2
116.92878	0.2
124.03224	0.2
125.02441	0.2
152.99666	0.3
168.04343	0.3
189.25943	0.2
207.00169	0.2
209.11848	1.3
210.12173	0.6
224.06956	0.8
227.12869	0.2
242.08032	0.3
277.21750	0.5
278.22025	0.3
279.23279	11.1
280.23541	0.8
397.13379	0.8
398.13986	0.2
453.33661	0.6
471.34802	100.0
472.35199	14.7
473.35397	0.2
500.72601	0.2
504.30954	20.6
505.31210	2.2
517.31427	0.9
518.32062	1.0
759.40570	0.2
931.60968	0.4
990.68317	2.5
991.68628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.508
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	28.8
71.71077	5.9
72.99318	3.9
73.02937	6.4
78.91898	4.3
83.01402	3.6
85.02977	19.0
87.00874	5.1
88.29641	2.8
88.98796	9.8
89.02444	5.9
99.00877	4.9
101.02455	17.5
111.72664	3.2
113.02431	10.0
125.02451	5.4
131.03474	8.8
132.02222	3.4
134.03714	5.0
137.02458	3.3
143.03455	3.9
160.01508	3.4
161.02454	8.0
175.02560	4.5
175.03963	3.8
209.11852	6.7
397.13455	5.8
929.51538	6.1
930.51538	6.0
931.52106	23.3
932.52411	91.7
933.52069	12.5
957.50513	7.6
992.51141	100.0
993.51086	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	990.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.9
69.98844	7.1
69.99261	2.3
71.01394	26.0
72.01726	2.8
72.99342	2.6
73.02952	4.2
77.75071	1.4
83.01398	4.8
85.02966	13.8
86.03300	1.7
87.00877	1.5
89.02460	12.7
99.00894	1.6
101.02461	19.4
102.02805	2.1
103.03976	1.6
105.32742	1.4
113.02486	9.1
119.03521	3.5
131.03519	9.5
132.03870	2.2
161.04591	1.7
237.90184	1.6
295.84528	1.9
533.66449	1.5
726.94891	1.8
766.44830	4.0
767.45203	12.0
768.45544	8.8
787.42151	2.5
788.41595	2.6
927.49530	3.3
928.49335	6.6
929.50726	36.8
930.50977	100.0
931.51929	11.1
990.49438	36.1
991.49530	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	990.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	19.6
72.01743	1.8
72.99329	1.9
73.02953	10.3
74.03288	1.5
74.49805	1.4
75.00874	2.3
81.03459	1.5
83.01408	4.5
85.02962	27.0
86.03310	3.2
87.00903	5.0
89.01343	1.2
89.02464	4.2
95.01411	2.2
97.02989	2.6
98.20619	5.0
99.00893	1.3
99.04532	2.5
100.01257	1.5
101.02466	15.0
102.02784	2.2
104.57505	1.3
110.18652	1.4
111.00919	2.0
113.02442	8.1
115.04070	1.5
116.01931	1.3
119.03503	1.4
125.02485	2.6
127.04069	3.2
131.03529	1.7
135.97182	1.2
143.03513	3.5
161.04651	2.3
184.79434	1.4
209.11862	1.3
230.51836	2.2
242.61635	1.5
247.08253	1.8
324.57462	1.2
331.56650	1.6
449.18826	1.4
503.30130	4.8
504.30551	4.1
619.62537	1.4
746.85339	1.5
928.53857	5.5
929.54236	41.9
930.54443	100.0
931.54413	9.4
990.53143	33.8
991.54120	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	989.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16772	0.2
71.01388	33.6
72.01713	0.4
72.99310	3.7
73.02956	2.3
73.43400	0.2
75.00851	0.2
80.56408	0.2
81.12788	0.2
82.08710	0.2
83.01392	2.5
85.02961	9.5
86.00110	0.3
86.03275	0.2
87.00888	1.3
87.04518	0.6
88.98828	0.3
89.02456	28.3
90.02779	0.4
93.79809	0.2
95.01405	2.5
97.02950	0.3
97.16744	0.2
98.20667	0.4
99.00904	0.6
101.02458	20.9
102.02804	0.3
103.04032	0.8
113.02467	11.8
115.14866	0.2
119.03523	9.9
119.05006	0.6
127.04041	0.3
129.01959	0.2
131.03526	7.0
132.03868	0.2
143.03529	2.4
149.04550	0.6
161.02457	0.5
161.04599	1.8
166.39969	0.2
170.68733	0.2
179.05615	5.8
211.07529	0.3
230.13742	0.3
300.02524	0.2
383.29532	0.2
457.11099	0.2
471.34830	4.2
472.35205	0.6
541.35254	0.3
603.39111	1.5
603.79565	0.2
604.39362	0.3
749.45233	9.8
750.45483	2.1
767.46143	0.3
783.45575	0.3
787.41638	0.4
788.80206	0.2
929.51416	100.0
930.51733	25.8
994.01154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	21.5
72.01745	1.6
72.99303	2.9
73.02945	5.9
74.03285	1.1
75.00885	2.8
78.91897	1.8
83.01391	4.2
85.02969	12.9
86.03295	1.2
87.00899	1.3
89.02444	6.8
95.01395	2.8
98.19811	2.1
99.00891	2.0
101.02464	15.9
102.02810	2.1
113.02455	6.9
114.02769	1.4
119.03493	1.2
131.03519	11.4
132.03828	1.9
159.59781	1.0
161.04620	1.7
169.05309	1.2
175.04015	1.7
230.07199	1.3
401.30145	1.4
766.45447	1.8
767.45514	6.1
768.46503	6.1
782.45081	1.1
783.44800	1.7
784.45557	3.0
787.43890	1.2
835.87360	1.3
927.49756	1.8
928.50146	5.6
929.50922	36.0
930.51147	100.0
931.51331	10.6
990.49609	26.8
991.50464	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	989.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.5
70.72602	0.6
71.01390	19.4
72.01703	0.3
72.99318	2.7
73.02953	4.5
75.00882	0.4
81.03468	0.3
83.01399	3.7
84.02185	0.2
85.02963	15.2
86.00101	0.7
86.03303	0.4
87.00887	1.5
87.04530	2.9
88.98813	0.2
89.02456	7.9
90.02785	0.2
95.01395	1.5
97.02969	0.7
99.00915	1.7
99.04523	0.4
101.02460	18.5
102.02803	0.2
103.04018	1.4
111.00887	0.2
112.01679	0.7
113.02468	8.2
114.02812	0.2
115.04046	0.4
119.03523	2.3
119.05029	0.4
125.02445	0.5
127.04018	0.5
131.03528	11.2
132.03825	0.4
137.95915	0.2
143.03511	0.8
145.05142	0.2
159.02988	0.3
161.02452	0.4
161.04561	1.5
163.06145	0.4
164.04541	0.2
164.12442	0.2
175.04034	0.2
179.05641	0.7
205.07213	0.3
240.64165	0.1
259.08145	0.2
278.10004	0.2
337.07367	0.2
353.28308	0.2
371.29465	0.3
381.27917	1.0
383.29730	0.9
399.28778	0.3
401.30655	5.2
402.30954	0.6
423.32715	0.3
431.31458	0.2
453.33740	1.3
455.31705	0.3
459.34692	1.1
471.34839	1.5
489.36020	0.7
490.36053	0.2
495.29602	0.3
515.33502	0.3
533.34619	1.4
534.35211	0.3
585.38055	0.4
591.39148	0.5
603.39038	0.7
604.39655	0.2
621.39563	0.9
749.44946	1.6
750.45679	0.2
765.44373	0.4
766.44739	0.7
767.46149	11.3
768.46381	1.9
783.46082	1.1
787.41608	4.3
788.41754	0.8
791.58234	0.2
911.50110	2.2
912.50415	0.5
927.49219	0.4
928.50323	1.9
929.51477	100.0
930.51837	21.5
973.50665	0.4
989.46637	0.3
990.49658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.5
71.01389	17.3
71.27895	0.4
72.01717	0.5
72.99323	2.0
73.02952	4.1
75.00881	2.7
81.03465	0.2
83.01399	3.4
84.01717	0.2
84.02207	0.3
85.02962	11.0
86.00089	0.3
86.03293	0.3
87.00430	0.2
87.00889	1.7
87.04530	2.4
88.98827	1.4
89.02458	6.7
89.04012	0.2
95.01414	1.4
96.17185	0.2
97.02962	0.7
97.06578	0.2
99.00896	1.6
99.04564	0.2
101.02461	15.9
102.02877	0.3
103.04027	0.3
111.00923	0.4
112.01676	0.7
113.02470	7.6
119.03522	1.8
119.05004	0.3
123.04595	0.2
125.02479	0.5
127.04018	0.4
129.01906	0.4
131.03529	9.2
132.02213	0.2
132.03880	0.2
133.02951	0.2
134.03741	0.7
139.00293	0.2
143.03497	0.7
145.05154	0.3
149.04552	0.5
149.05820	0.2
159.02954	0.3
160.01689	1.7
161.02437	0.3
161.04559	1.3
163.06166	0.2
174.01692	0.2
175.02592	0.3
175.04012	1.5
179.05731	0.3
191.07063	0.3
193.05040	0.7
211.13329	0.4
223.13411	0.5
235.06075	0.4
254.31261	0.2
292.70108	0.2
295.08258	0.2
350.14319	0.2
355.10443	0.5
371.29510	0.5
381.27881	0.6
383.29529	0.8
397.11526	0.6
399.29016	0.2
401.30627	4.4
402.30872	0.6
423.32657	0.3
453.33807	1.1
455.31824	0.3
457.33090	0.5
459.34793	1.7
460.35458	0.2
469.33542	0.2
471.34827	0.5
489.36194	1.0
494.14124	0.2
533.35181	1.0
534.34955	0.2
585.38116	0.4
591.39044	1.1
621.40460	1.4
749.45032	0.2
750.44617	0.2
767.46313	4.2
768.46777	1.4
781.47601	0.3
783.45667	2.8
784.46027	0.5
787.42065	0.8
788.40186	0.2
911.50360	1.0
912.50519	0.4
913.52008	0.7
929.51495	100.0
930.51776	27.7
938.05487	0.2
943.53833	0.4
989.51331	1.5
990.51349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.6
71.01389	27.0
72.01703	0.4
72.99317	3.6
73.02951	4.0
75.00883	3.9
78.44217	0.3
78.85622	0.3
81.03468	0.4
83.01405	2.7
84.02202	0.3
85.02959	15.0
85.81693	0.2
86.00091	0.7
86.03300	0.4
87.00890	2.6
87.04515	0.7
88.98826	1.4
89.02460	16.4
95.01401	2.1
97.02959	0.8
99.00898	1.0
99.04517	0.5
101.02460	19.3
102.02760	0.4
103.04022	0.6
109.02990	0.5
111.00916	0.5
112.01672	0.3
113.02472	9.4
114.02862	0.3
115.03996	0.7
119.03522	5.5
119.05043	1.1
125.02499	0.8
127.04015	0.6
131.03526	9.3
136.01668	0.3
143.03517	1.5
145.05086	0.6
149.04594	0.5
150.03271	0.5
160.01659	0.4
161.02455	0.8
161.04572	1.2
161.23499	0.3
165.05553	0.3
175.02563	0.3
175.04010	0.5
177.01788	0.3
179.05663	3.3
205.07137	0.6
231.08676	0.3
235.06082	0.4
337.07407	0.3
401.30847	0.7
453.33740	0.4
471.34894	3.1
472.34995	0.7
603.39160	1.2
625.36163	0.4
749.45264	6.6
750.45538	1.6
766.44507	0.4
767.47351	1.6
783.45728	0.5
787.41437	4.7
788.41962	1.0
901.36157	0.3
911.49658	1.4
913.51990	1.3
928.51190	1.2
929.51520	100.0
930.51782	24.2
930.71112	0.6
989.46692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	10.1
71.05020	0.4
71.71040	0.6
72.99314	1.5
73.02947	3.1
73.61758	0.3
75.00884	0.7
83.01402	1.5
83.05051	0.4
85.02961	7.8
87.00887	3.2
88.98819	2.5
89.02464	4.1
89.03987	0.8
95.01406	1.3
97.02999	0.5
99.00896	1.3
101.02457	7.7
102.02837	0.4
113.02459	5.8
114.29892	0.4
117.03484	3.3
119.03567	1.1
119.05051	1.3
121.03021	0.5
123.04547	0.6
125.02455	1.1
130.90872	0.4
131.03513	1.4
132.02193	13.3
133.03040	2.1
134.03761	51.6
135.04227	1.5
136.01723	0.9
137.02473	1.7
141.34344	0.4
143.03555	0.7
145.05099	0.4
147.04553	2.4
148.05348	1.5
149.06107	8.2
150.03271	0.8
151.03995	0.7
158.03786	0.8
160.01677	74.9
161.02034	4.2
161.04520	2.1
163.04066	0.4
163.07735	0.5
165.05659	0.7
165.97536	0.4
173.06136	1.6
174.03201	0.4
175.04024	100.0
176.04698	10.1
177.01944	1.0
177.05582	0.8
178.02708	5.1
179.03479	0.8
179.05627	1.2
189.05452	0.5
191.07169	11.8
192.04393	0.9
192.07513	0.4
193.05074	57.9
194.05431	3.4
202.02744	0.5
207.06656	5.4
211.13362	0.8
217.05003	1.0
220.03807	1.5
221.06625	0.8
235.06117	33.0
236.06436	1.4
247.06079	0.5
265.07114	8.5
279.86237	0.5
295.08249	10.5
296.08511	0.4
306.69940	0.4
337.09424	2.4
339.45670	0.4
355.10349	26.7
356.10611	1.9
367.31949	0.4
392.64053	0.4
392.70303	0.4
397.11411	56.2
398.11743	4.7
425.18033	0.4
439.12589	0.7
439.32501	0.5
441.33875	1.6
442.34140	0.5
485.32864	1.5
499.14844	0.8
503.33340	1.3
504.34198	0.9
517.15607	0.7
743.78247	0.4
787.41669	1.7
847.42242	0.8
911.50958	0.6
929.51855	7.5
930.51904	1.9
989.51526	54.3
990.52014	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.7
71.01386	31.2
72.99322	4.0
73.02951	14.7
75.00888	2.3
81.03437	1.2
83.01401	6.8
85.02964	33.4
85.03447	2.3
86.03285	3.7
87.00887	7.3
87.03436	1.9
87.04544	1.6
88.98846	2.9
89.02456	7.8
95.01405	2.9
99.00863	1.9
99.04544	2.3
101.02465	22.7
102.02774	1.6
113.02468	9.1
115.04032	2.3
125.02497	3.1
127.04037	3.4
128.51132	1.3
131.03514	8.0
134.03734	1.8
136.04326	1.4
143.03471	2.7
145.05116	1.6
161.04556	1.5
175.04056	1.9
179.05807	1.5
185.43440	1.5
237.75464	1.3
240.72681	1.2
285.12982	1.4
347.98465	1.4
351.44931	1.4
366.04654	1.5
397.13358	1.4
443.19424	2.0
503.30023	2.8
766.45123	4.7
767.46228	2.6
782.44727	1.8
787.40082	2.4
860.93628	1.4
926.52228	4.3
927.52338	18.5
928.52148	100.0
929.52307	52.3
988.51404	7.7
989.52649	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	987.6594
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52010	0.2
71.01380	0.3
83.05051	0.1
96.68445	0.1
157.44362	0.1
174.26712	0.1
297.83704	0.1
343.26385	0.6
344.26480	0.1
360.59506	0.1
365.28629	0.2
393.31641	0.3
395.33243	0.3
398.10062	0.1
423.32629	0.3
424.32559	0.1
429.30194	0.3
430.30228	0.1
439.32214	6.8
440.32632	1.1
455.31577	0.2
456.32050	0.2
457.33603	0.1
483.30865	0.1
485.32703	3.6
486.33154	0.8
487.33411	0.3
499.30597	0.5
500.30890	0.5
501.32202	100.0
502.32550	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	987.6605
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27666	0.3
70.28051	0.4
71.01391	0.2
71.05042	0.1
79.28684	0.1
82.74120	0.1
83.05045	0.2
85.02975	0.2
88.98845	0.5
97.06656	0.2
101.02454	0.2
126.96198	0.1
209.11824	0.2
223.81584	0.1
349.25354	0.4
355.35529	0.1
365.28729	0.9
377.28537	0.2
395.29556	0.5
409.27243	0.4
409.31680	1.9
410.31848	0.2
411.32840	0.2
423.28979	1.3
425.30618	2.4
426.30618	0.3
427.32205	4.5
428.32465	0.5
439.32275	2.2
440.32465	0.2
441.30115	0.7
443.31903	0.2
453.30145	0.6
455.31805	0.6
469.29779	0.2
471.31189	21.2
472.31500	3.0
473.32947	0.2
483.31619	0.2
484.31265	0.2
485.32800	89.5
486.33188	13.1
487.30756	0.7
499.30759	1.0
500.30597	0.2
501.32227	100.0
502.32587	15.8
646.53369	0.1
927.52026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.4
71.01387	15.6
71.05026	0.4
72.99317	1.3
73.02954	10.3
75.00883	1.5
81.03470	0.7
83.01396	3.2
83.05028	0.3
85.02959	24.6
86.00096	0.7
86.03312	0.4
87.00882	4.6
87.04523	1.4
88.98882	0.2
89.02461	2.5
95.01418	1.4
97.02959	1.5
99.00892	2.3
99.04538	2.0
101.02460	15.1
102.02811	0.2
102.55499	0.2
109.02944	0.9
111.00876	0.3
113.02468	5.6
115.04033	1.3
119.03505	0.7
125.02463	1.6
127.04033	3.1
129.01962	0.3
131.03514	3.8
138.26344	0.1
143.03520	2.4
145.05084	1.6
159.03015	0.5
161.04549	1.6
163.06134	0.7
181.73334	0.1
205.07152	1.0
229.07092	0.2
229.59961	0.2
231.08781	1.0
247.08199	2.0
291.10944	1.1
351.13077	0.4
421.48770	0.2
473.36530	1.2
474.36591	0.2
593.63501	0.2
619.38605	0.2
635.41675	0.2
765.44598	1.6
766.45776	0.3
781.47058	1.5
782.46771	0.4
785.42340	0.2
927.53070	100.0
928.53271	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	987.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	0.5
71.01386	26.3
72.01731	0.7
72.99323	2.2
73.02950	8.4
75.00880	0.8
83.01397	5.5
83.05054	0.5
85.02959	17.0
87.00892	2.9
88.98822	0.6
89.02458	7.2
95.01398	3.2
97.02959	1.7
98.20710	1.1
99.00896	4.3
101.02454	18.5
103.04016	1.2
105.09191	0.4
111.00883	0.7
113.02470	15.1
115.90351	0.4
116.92855	1.2
119.03516	2.1
125.02445	3.8
131.03522	1.0
143.03510	2.0
159.02986	1.5
161.04562	5.7
179.05672	0.7
209.11824	1.6
211.13434	0.8
223.13480	0.8
277.21686	0.9
331.26398	7.0
331.87030	0.5
332.26776	0.7
397.13620	1.3
455.31454	0.7
469.48761	0.5
485.33014	2.3
486.32910	0.6
487.33615	0.6
499.30933	2.1
501.32263	3.4
502.32541	0.6
619.42322	1.1
765.48187	19.9
766.48315	3.1
781.47412	2.7
795.41315	0.5
801.42950	0.5
927.53455	100.0
928.53815	27.5
946.75385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99834	0.2
69.03461	1.3
71.01387	18.0
71.05016	0.4
71.70959	0.1
71.71416	0.1
72.01720	0.1
72.99311	1.6
73.02950	11.7
75.00880	2.4
81.03461	0.8
83.01398	3.4
83.05039	0.4
84.01711	0.2
84.02161	0.1
85.02960	27.8
86.00110	0.6
86.03300	0.5
87.00888	5.2
87.04522	1.6
88.98825	0.1
89.02454	3.0
93.03431	0.1
95.01404	1.4
97.02964	2.3
99.00892	2.6
99.04533	2.4
101.02458	15.1
102.02796	0.3
108.02209	0.1
109.02981	1.1
111.00906	0.4
111.04564	0.2
112.01691	0.2
113.02469	5.7
114.02833	0.3
115.04032	1.7
119.03516	0.8
121.97894	0.1
123.00911	0.1
125.02465	2.2
127.04037	3.8
127.04981	0.2
128.04288	0.2
129.01942	0.5
131.03535	1.6
132.03778	0.1
134.03783	0.2
143.02383	0.2
143.03520	4.0
144.03859	0.1
145.05093	1.9
159.03011	0.7
160.01671	0.1
161.04591	2.2
163.06149	0.6
175.03973	0.2
185.04655	0.1
187.06105	0.2
205.07172	1.3
206.72928	0.1
219.08833	0.1
229.07205	0.2
231.08704	1.2
247.08209	2.6
248.08598	0.2
258.12073	0.1
273.09811	0.2
291.10849	1.4
351.12878	0.5
378.79697	0.1
385.31406	0.1
433.19736	0.1
471.34955	0.2
473.29712	0.1
473.36224	1.6
474.36655	0.3
503.30212	0.1
633.40295	0.3
635.42017	0.2
763.47461	0.2
765.44604	1.2
766.45642	0.2
781.47955	1.4
782.48328	0.2
795.45831	0.4
848.99707	0.1
911.49860	0.3
927.53381	100.0
928.53687	24.6
987.51294	0.5
988.50110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	0.1
71.01395	0.7
71.71101	0.2
72.22424	0.1
72.99316	0.4
73.02943	0.2
75.00893	0.8
76.62944	0.1
83.01397	0.1
83.92580	0.1
85.02962	0.6
87.00890	1.5
88.00409	1.3
88.01229	0.2
88.98817	100.0
89.02448	6.9
89.99150	1.2
93.03508	0.1
95.01387	0.1
96.55283	0.1
101.02478	0.5
102.74206	0.1
113.02473	0.4
115.58319	0.1
127.03947	0.1
131.03539	0.1
137.02478	0.1
143.03519	0.2
143.35484	0.1
194.60327	0.1
211.13466	0.1
223.84692	0.1
263.88718	0.1
284.45618	0.1
303.98734	0.1
365.51868	0.1
435.71384	0.1
455.26712	0.1
782.48328	0.1
801.42645	0.2
828.00018	0.1
897.52612	1.3
898.52881	0.6
899.52454	0.1
911.50208	0.4
912.48773	0.1
927.52344	0.7
928.53040	0.2
945.52789	0.2
987.51459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.7
70.21918	0.2
71.01387	18.1
72.01706	0.3
72.98985	0.3
72.99321	3.0
73.02951	6.3
75.00884	5.6
83.01398	4.7
83.05014	0.4
85.02961	15.6
86.00083	0.6
87.00881	2.2
88.98778	0.3
89.02451	6.9
95.01397	1.7
97.02934	0.8
99.00890	1.6
99.04501	0.4
101.02459	18.5
102.02776	0.4
109.02966	0.6
110.24324	0.2
111.00967	0.2
112.01672	0.6
113.01689	0.4
113.02467	7.8
115.07580	0.2
119.03535	1.9
125.01620	0.2
125.02447	0.9
127.04008	1.0
131.03525	11.1
132.03786	0.4
132.26967	0.2
143.03505	1.4
145.05075	0.4
157.15437	0.2
159.02962	0.4
161.02373	0.3
161.04558	1.6
163.06129	0.5
171.10191	0.3
175.04007	0.2
179.05621	0.3
193.05110	0.3
205.07228	0.3
208.25397	0.2
225.39946	0.2
230.09897	0.3
247.08255	0.4
304.74493	0.2
309.20572	0.3
327.98444	0.2
397.13187	0.3
467.31354	0.2
485.32956	0.2
502.79041	0.2
502.88004	0.2
513.62592	0.2
515.30182	0.4
523.22308	0.2
583.36255	0.4
592.63019	0.2
617.70190	0.2
619.38885	1.2
733.39630	0.3
765.44550	11.7
766.44934	2.1
779.45868	0.3
781.44049	2.2
782.46442	0.4
783.49017	0.3
802.70013	0.3
803.30316	0.3
891.80725	0.3
911.50623	2.1
912.50995	0.4
927.50232	100.0
928.50446	21.8
941.51764	1.5
945.53839	0.7
986.54187	0.3
987.53003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	0.1
71.01394	0.7
73.02978	0.3
75.95066	0.1
83.01424	0.1
83.05082	0.1
85.02994	0.3
87.00925	0.2
89.02485	0.3
97.02974	0.2
97.06634	0.2
98.20646	0.2
101.02458	0.5
111.04573	0.1
113.02500	0.3
116.92897	0.2
119.03561	0.1
122.43060	0.1
125.02518	0.3
127.11322	0.1
143.03520	0.1
161.04643	0.1
171.10356	0.3
179.05659	0.2
183.14040	0.1
197.11801	0.1
211.13405	0.7
221.11795	0.2
224.11459	0.1
229.14456	0.5
229.86768	0.1
234.07704	0.1
235.08215	0.1
277.21744	1.3
291.19766	0.2
295.22876	0.2
309.20706	0.6
327.21780	4.2
328.22086	0.4
359.27444	0.9
360.27896	0.1
365.28516	0.4
375.30615	2.0
376.30942	0.3
391.30289	0.1
397.13501	1.8
398.13635	0.1
403.30283	0.2
409.31042	0.2
415.14713	0.8
421.31577	0.5
423.29037	0.3
437.30649	0.4
438.31140	0.1
439.32178	3.8
440.32593	0.4
441.33792	1.4
442.34323	0.1
451.32092	0.3
461.65573	0.1
467.31714	1.0
468.31793	0.7
469.33234	79.5
470.33588	12.2
485.32761	5.9
486.33096	0.8
497.32962	0.1
515.33752	100.0
516.34106	16.1
517.35077	0.4
569.15637	0.1
675.36194	0.2
707.34985	0.3
807.61444	0.1
844.97351	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	986.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17952	0.5
70.18356	1.3
71.01323	0.4
72.99263	0.5
74.33880	0.3
82.02932	0.5
89.02359	0.3
94.02999	7.1
98.02449	0.3
101.02394	0.4
106.06574	0.7
108.04491	1.3
110.06113	1.6
113.02406	0.5
116.04989	0.9
120.04494	0.4
120.08144	0.3
121.05297	0.4
122.06144	3.5
124.04054	1.6
125.02408	0.4
130.06531	0.7
133.02992	3.9
134.03703	0.4
134.06145	0.5
135.04533	1.7
136.03957	1.3
136.07616	0.4
137.04787	0.4
138.05649	3.1
140.47298	0.3
142.06653	16.6
143.06873	1.2
144.04538	0.7
146.06073	0.6
147.05566	0.3
149.35054	0.3
150.05637	1.6
154.59512	0.3
158.06152	2.5
160.03893	0.4
161.02464	12.1
161.04616	1.1
162.02711	0.4
162.05490	0.9
168.06665	0.4
172.04015	0.4
172.11240	0.6
174.05617	2.1
175.05077	0.4
179.03528	1.4
180.06537	1.0
186.05624	6.2
186.12827	0.3
187.06044	0.6
187.08743	0.4
188.03465	0.4
188.07088	0.6
193.03651	0.4
201.10382	3.4
203.05794	1.0
203.11890	0.5
204.06679	9.8
205.06882	0.6
211.08682	0.4
213.10320	2.4
214.10631	0.4
214.90919	0.3
215.11748	1.1
221.04575	0.4
223.08682	0.4
225.10223	0.4
227.11769	1.3
229.09839	4.3
229.13348	2.0
230.10191	0.3
236.09406	0.4
237.10214	1.1
239.11919	4.3
240.12250	0.4
241.09737	0.7
246.05330	0.4
246.07709	5.8
247.08113	0.5
247.10812	0.8
249.10181	0.7
251.08124	0.7
251.11722	1.2
253.09485	0.4
255.02921	0.4
255.11423	2.5
257.12930	2.0
259.10742	1.3
263.08231	0.6
263.11874	0.6
264.09052	2.4
265.09808	2.3
266.10382	0.6
267.11371	2.0
271.02274	0.5
271.10751	0.6
273.12506	2.2
274.12686	0.3
276.08978	0.7
277.09827	1.3
278.06903	0.6
278.10162	0.5
279.07898	0.7
279.11337	5.0
280.11853	1.2
281.06461	0.3
281.09229	0.8
281.12823	1.1
283.10858	2.0
289.11832	1.2
290.10413	0.6
291.07718	0.8
291.11261	3.1
292.08401	4.9
292.11835	1.0
293.09167	1.8
293.12256	0.6
295.10812	0.4
298.09280	0.3
300.02664	0.8
301.03284	0.3
301.11960	7.9
302.12311	0.7
305.09222	0.6
306.10080	2.0
307.10916	11.3
308.11597	3.2
309.12228	1.1
311.10168	0.8
312.10944	0.5
319.13004	26.8
320.13535	1.7
321.12228	0.5
323.13815	0.4
325.11804	1.2
327.13492	1.5
330.12427	0.3
331.13693	0.3
333.08624	0.4
335.10309	1.1
339.13644	0.4
340.10544	1.0
343.13144	0.9
344.13846	0.8
346.15604	0.4
350.09113	4.3
351.09885	12.9
352.10321	1.5
353.10889	0.4
358.15442	0.8
359.15448	0.3
360.13290	0.5
365.11456	1.9
366.12024	0.3
370.11581	0.5
370.15726	0.6
372.13431	1.1
378.18106	0.5
379.18683	0.7
383.12265	1.0
384.17407	0.3
385.14005	0.5
386.15021	2.9
387.15607	1.2
388.16794	1.4
389.16357	0.4
390.14420	0.5
396.13397	0.6
400.12268	0.4
400.16690	0.9
401.17706	0.4
402.18317	0.6
403.14606	0.5
404.16193	4.6
405.16986	1.3
406.17606	0.9
412.16608	0.5
414.14453	1.5
416.16245	0.5
418.13507	0.6
418.18146	0.5
419.14084	0.5
419.19016	0.6
419.26074	0.3
428.16019	1.2
429.16925	2.0
430.17880	1.7
431.14581	0.5
432.15002	1.5
433.15997	0.7
437.15924	1.8
444.19284	0.7
446.17227	2.7
447.17957	3.7
448.18790	1.7
450.16644	1.0
462.20859	0.6
473.15976	0.6
474.16907	1.5
491.17197	2.6
492.17761	4.0
493.17917	0.6
506.19333	2.5
509.21817	1.1
515.22833	1.1
519.25970	0.6
523.19745	0.6
524.20538	0.4
527.22736	2.5
528.23352	0.4
538.21924	15.1
539.22534	1.8
545.24139	1.5
551.22534	0.7
557.23859	0.4
559.25122	0.5
569.23895	1.3
571.22235	0.8
579.13312	0.7
587.25299	3.9
588.25531	0.7
603.24738	3.0
613.22998	1.3
619.27924	0.5
631.24231	11.0
632.24609	1.7
635.27380	6.3
636.27521	1.0
645.25757	4.3
646.25848	1.0
663.26813	60.8
664.27185	10.0
664.38489	0.6
677.28534	3.5
678.28473	0.6
695.29578	100.0
696.29895	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	985.6447
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53835	0.1
70.31733	0.2
70.32130	0.2
80.68094	0.1
90.39080	0.1
96.96023	0.1
116.92910	0.1
122.57340	0.1
131.03775	0.1
168.75237	0.1
209.11862	0.1
273.48248	0.1
393.24911	0.1
409.27231	0.2
409.31516	1.3
410.31644	0.2
423.29172	0.9
425.30515	1.2
426.31149	0.2
427.32227	3.0
428.32532	0.4
437.30310	0.1
439.32529	0.9
453.30023	0.4
457.29730	0.1
469.33505	0.2
471.31180	9.6
472.31662	1.5
483.31393	1.0
484.31277	0.2
485.32538	0.2
499.30923	0.2
501.32211	100.0
502.32571	15.5
793.41058	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	985.6652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	0.2
71.71030	0.2
85.96035	0.1
89.02462	0.1
94.28041	0.1
99.92619	0.1
99.98764	0.1
101.02455	0.1
116.92876	1.8
120.01189	0.1
125.02423	0.2
179.52345	0.1
197.11810	0.2
202.71153	0.1
225.86150	0.1
252.00705	0.1
253.09335	0.2
277.21707	1.6
278.22141	0.2
293.21161	0.4
294.21548	0.3
309.20755	0.3
310.21240	0.3
312.48050	0.1
397.13504	0.3
397.31268	0.4
398.13977	0.1
407.33279	0.4
423.32831	0.4
425.34406	0.3
427.36273	0.2
451.32047	0.2
453.33850	1.3
454.33841	0.1
467.27750	0.5
469.33350	6.9
470.33685	9.8
471.34799	100.0
472.35159	12.6
513.31866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99826	0.2
69.03459	1.5
71.01390	18.4
71.05022	0.5
71.08299	0.1
71.08623	0.3
72.01727	0.2
72.99316	1.9
73.02956	11.8
73.21960	0.1
74.03291	0.2
75.00884	1.5
78.00375	0.1
81.03464	1.0
83.01404	3.1
83.05032	0.3
84.01733	0.1
84.02190	0.1
85.02964	31.7
86.00108	0.8
86.03305	0.5
87.00890	6.1
87.04532	1.5
88.01223	0.1
89.02461	2.8
95.01402	1.4
97.02969	2.3
99.00904	2.3
99.04533	2.8
101.02463	15.0
102.02792	0.3
103.04025	1.8
109.02985	1.4
111.00896	0.4
111.04501	0.2
111.20885	0.1
112.01695	0.1
113.02473	5.9
115.04041	1.6
117.58468	0.1
119.03526	0.6
123.08207	0.2
125.01612	0.2
125.02474	2.2
127.04039	4.0
129.01952	0.4
131.03534	2.0
137.02521	0.2
142.59256	0.1
143.03542	3.5
144.03845	0.2
145.05095	2.1
159.03017	0.7
161.04611	1.4
163.06143	0.5
185.04694	0.1
187.06094	0.2
194.18265	0.1
199.83382	0.1
205.07222	1.1
229.07161	0.3
231.08743	1.0
247.08228	2.3
291.10880	1.7
327.23349	0.3
329.24707	0.3
351.13055	0.7
373.23718	0.2
378.73578	0.1
393.93069	0.1
423.32806	0.2
453.33765	0.3
482.84476	0.1
485.32513	0.2
522.23334	0.2
633.40253	0.4
761.45734	0.3
779.46136	2.1
780.46790	0.5
881.53650	0.7
882.53259	0.2
899.54279	0.4
925.51953	100.0
926.52277	30.1
941.54907	0.9
942.55902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.6653
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04525	0.3
83.02017	0.1
83.05061	0.2
96.96033	0.2
126.94392	0.1
160.79984	0.1
170.58055	0.1
297.13113	0.1
333.25781	0.1
355.22485	0.1
355.26578	0.2
391.30161	2.0
392.30386	0.2
393.31573	0.3
409.31293	0.1
419.29483	0.5
437.30695	1.0
451.32263	0.4
453.30127	0.4
467.31668	1.1
468.32401	0.1
469.33240	51.2
470.23657	0.2
470.33569	7.6
513.32190	100.0
514.32538	14.8
514.48529	0.1
993.64758	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	983.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	1.4
69.03458	10.3
70.86075	0.7
71.01386	70.2
71.05014	0.5
72.01722	0.8
72.99313	5.2
73.02951	20.4
74.93726	0.2
75.00888	1.5
79.01892	0.4
81.03467	3.1
83.01395	44.9
83.05048	0.9
83.71575	0.3
84.01720	0.8
84.02184	0.8
85.02960	45.6
86.00108	2.9
86.03298	0.9
87.00883	20.4
87.04522	2.0
88.01220	0.3
89.02455	16.7
93.03471	1.3
95.01402	11.9
95.05058	0.3
97.02968	13.3
98.03291	0.4
99.00894	15.9
99.04527	1.3
101.02457	45.9
102.02800	1.0
103.04021	4.4
107.01411	0.6
107.05007	0.4
108.02219	0.4
109.02969	3.2
111.00901	3.5
111.04530	1.1
112.01688	2.1
113.02467	51.9
114.02772	1.2
115.04023	3.0
119.03513	4.0
121.02966	1.4
123.00896	0.6
123.04555	0.8
123.08196	0.9
124.01704	0.7
125.02467	21.9
126.02749	0.4
127.04031	3.0
128.01176	0.3
129.01993	1.1
131.03519	3.8
135.04552	0.6
137.02461	2.0
139.04031	0.9
141.01974	0.9
142.02721	0.4
143.03520	21.3
144.03893	0.5
145.05078	2.0
147.04593	0.4
148.08910	0.2
149.02473	0.7
149.04646	0.2
151.04024	0.9
155.03499	0.9
159.03029	2.9
161.04572	13.1
163.04187	0.5
163.06155	2.2
167.03529	2.8
169.05006	0.3
175.49991	0.2
179.03508	1.3
179.05603	1.2
181.05005	0.3
185.04584	1.1
205.07124	1.3
207.06587	0.3
209.04562	0.6
209.11742	0.3
233.06657	5.4
251.05602	0.4
280.43079	0.2
287.07739	0.5
289.09271	3.1
305.08847	0.7
327.23398	1.6
329.24826	1.6
347.25961	0.7
349.11426	3.3
353.01456	0.2
373.23837	0.4
423.32639	1.6
425.34186	0.5
433.30957	0.3
435.32813	0.5
453.33899	2.2
454.33844	0.4
469.33142	0.6
513.35999	0.3
567.36890	2.9
568.37457	0.7
597.37860	0.7
633.40277	3.5
634.40839	0.7
675.41406	2.4
676.41229	0.4
699.41504	1.3
700.41705	0.4
741.41821	0.5
759.43842	1.4
760.43225	0.3
761.44952	0.8
777.44592	23.6
778.44873	4.8
779.46143	55.7
780.46503	12.8
795.45593	5.7
796.46283	1.5
821.46991	7.4
822.47070	1.2
837.46466	0.4
845.47241	4.7
846.47406	1.5
875.47809	0.3
887.48291	0.9
897.52521	3.4
898.52295	0.7
905.49677	1.0
923.50330	42.6
924.50659	13.9
941.51556	100.0
942.51874	29.7
983.52545	9.6
984.52960	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	983.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	4.8
69.03461	13.9
71.01386	71.7
71.05026	0.4
72.01712	1.0
72.99312	9.2
73.02951	17.2
75.00893	1.2
75.11346	0.3
77.03957	0.5
79.01884	0.6
81.03034	0.4
81.03471	5.0
82.95409	0.4
83.01395	42.4
83.04583	0.3
83.05035	1.4
83.81779	0.3
84.00921	0.4
84.01722	0.5
84.02177	1.0
84.95140	0.7
85.02958	48.8
86.00108	3.8
86.03303	1.0
87.00884	17.3
87.04510	2.1
89.02454	18.2
93.03471	7.0
95.01399	19.1
95.05029	1.0
96.01726	0.4
96.99334	2.7
97.02962	30.7
98.03327	0.8
99.00895	9.9
99.04528	2.8
101.02456	46.9
102.02778	0.5
103.00324	0.4
103.04024	6.7
103.86134	0.3
105.03493	0.5
107.01410	1.0
107.05032	0.9
108.02189	1.1
109.02968	13.4
110.03310	0.4
111.00895	4.2
111.04545	2.4
112.01698	3.5
113.02465	63.4
114.02795	1.1
115.04012	3.5
117.01960	0.3
117.03528	0.4
119.03523	5.7
119.04980	0.4
121.02972	7.2
123.00911	1.1
123.04533	2.3
123.08176	0.8
124.01688	1.0
125.02462	27.2
126.02804	0.6
127.04040	5.7
129.01956	1.0
131.03528	3.3
133.02971	0.7
134.03781	0.4
135.00912	0.4
135.04506	1.7
136.01695	0.6
137.02466	16.6
137.06137	0.4
138.02823	0.5
139.00374	0.6
139.04024	2.6
141.01978	2.9
142.02756	1.5
143.03520	45.6
144.03841	1.1
145.02971	0.5
145.05074	2.6
147.04507	0.4
149.02454	7.7
151.04016	2.7
155.03523	7.9
156.03842	0.4
157.05045	0.3
159.02994	0.5
161.02643	1.2
161.04573	17.2
162.04947	0.5
163.04005	1.0
163.06142	5.8
165.01906	1.0
165.05585	0.3
167.03513	18.2
168.03891	0.7
169.05064	0.4
175.04051	0.3
178.02713	0.3
179.03513	7.4
179.05554	2.2
180.03793	0.3
181.05089	0.8
185.04562	25.2
186.04857	1.0
187.70998	0.3
191.03506	1.0
193.05150	0.3
197.04565	0.7
205.07161	1.1
209.04544	4.5
210.04932	0.3
221.04527	0.4
227.05617	1.5
230.09204	0.3
233.04662	0.4
233.06580	1.7
239.05605	0.8
243.08629	0.4
247.08025	0.4
251.05666	0.6
257.06644	0.8
261.09735	0.5
269.06665	0.8
271.08234	0.8
275.07657	0.4
287.07730	5.1
289.09283	40.3
290.09653	2.2
295.08179	1.1
305.08752	0.4
327.23328	1.1
329.24762	1.5
331.10287	2.1
343.10541	0.3
347.26065	0.4
358.30948	0.3
373.11365	2.7
373.23590	0.4
423.32520	1.7
424.33978	0.4
425.34186	0.5
435.32770	0.4
453.33820	2.2
454.33994	0.4
469.33240	1.4
513.35571	0.5
538.67438	0.3
567.36963	5.5
568.36890	1.0
597.38391	1.4
633.40173	13.7
634.40253	1.9
675.41229	0.7
743.42822	0.4
759.43872	1.7
760.44067	0.4
761.44653	2.0
777.31061	0.5
777.44592	7.3
778.44672	1.9
779.46118	73.0
780.46503	15.7
780.57446	0.2
795.45532	3.3
796.45532	1.0
803.45679	0.5
821.46930	4.0
822.46869	1.1
837.46960	0.4
845.46942	0.7
849.46558	0.9
875.48737	0.7
879.50476	0.4
887.47736	1.0
893.49170	0.5
898.51801	0.5
905.48987	1.5
923.50311	100.0
924.50696	29.1
924.65515	0.5
941.51538	68.7
942.51855	19.4
983.52625	9.1
984.52826	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	979.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99825	0.6
69.03458	3.6
70.86165	0.3
70.86503	0.2
71.01385	61.9
71.05025	0.2
72.01732	0.8
72.02116	0.2
72.99312	13.6
73.02950	23.8
73.99658	0.2
74.03306	0.3
75.00887	1.3
81.03462	2.6
83.01392	15.7
83.05025	1.2
84.01729	0.4
84.02181	0.4
85.02958	49.5
86.00101	6.5
86.03292	0.9
87.00878	4.7
87.04530	1.6
89.02454	14.2
90.02818	0.2
95.01395	1.5
97.02969	1.6
99.00893	3.7
99.04521	2.0
101.02455	62.8
102.02796	1.1
103.04021	9.3
108.02174	0.4
109.02963	2.4
111.00909	0.3
112.01675	1.2
113.02457	3.3
115.04033	0.6
116.92869	0.5
117.01950	0.2
119.03522	3.1
119.04312	0.3
121.03007	0.2
123.08160	0.9
125.02458	0.5
126.03221	0.2
127.04033	3.3
129.01965	0.3
131.03520	51.1
132.03873	1.2
143.03505	1.0
145.05090	3.6
145.06232	0.2
163.06140	3.3
189.03928	0.2
197.11903	0.2
205.07281	0.2
209.11813	0.5
227.83704	0.2
277.09280	0.3
299.23819	0.2
299.28595	0.2
309.20740	0.2
311.22336	0.5
313.21790	0.3
315.23318	0.3
317.21448	0.2
317.24835	6.3
318.25104	0.8
327.23416	0.2
329.24863	0.3
341.24628	0.2
359.25974	0.7
361.23926	0.3
365.56387	0.2
371.26010	1.3
372.26477	0.3
389.26990	2.1
390.27426	0.3
405.31540	0.2
423.32355	0.9
431.28217	0.2
435.32599	0.8
449.29135	0.4
453.33994	1.0
454.34314	0.2
471.34915	1.9
472.35126	0.4
491.29626	0.2
515.34088	0.6
516.33679	0.2
521.31024	0.4
555.37378	0.4
567.37067	0.2
585.38281	0.5
603.39014	3.6
604.39197	0.9
617.40900	0.5
647.38000	0.6
659.41248	0.4
713.42169	0.3
729.66663	0.2
731.43860	4.0
732.43842	1.0
749.45135	11.0
750.45367	2.2
772.41797	0.2
773.45056	4.6
774.45081	1.0
775.43359	0.6
791.46271	5.0
792.46527	1.2
793.44055	0.9
803.46381	0.7
817.29736	0.2
817.43494	0.9
818.44525	0.3
833.47046	0.7
859.48975	2.0
860.49298	0.5
877.49841	100.0
878.50171	25.6
895.50885	44.1
896.51166	10.8
901.50360	0.2
919.50787	79.7
920.51172	21.9
937.51868	62.3
938.52118	17.3
979.53027	47.2
980.53351	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	977.493
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.5
69.03451	1.0
70.83646	0.4
71.01389	35.6
72.99308	2.8
73.02955	9.0
75.00879	1.4
78.32621	0.4
83.01401	7.5
85.02964	19.3
85.89042	0.5
86.00112	0.8
86.03313	0.5
87.00881	3.0
87.04543	0.6
89.02457	11.6
95.01405	4.0
96.96015	0.5
97.02980	2.7
97.93546	0.4
99.00890	5.4
101.02464	26.2
102.02768	0.7
103.04022	1.4
106.03003	0.4
111.00918	0.9
112.01672	0.7
113.02471	18.9
119.03532	3.3
125.02469	3.4
131.03455	0.8
133.01442	0.8
143.03523	3.2
156.39230	0.4
158.08452	0.4
159.03030	1.9
161.04597	5.5
165.12775	0.4
179.05586	1.3
197.11783	1.0
205.07144	0.4
209.11832	6.7
211.13374	0.8
224.59564	0.4
227.12907	1.2
229.95338	0.5
291.19653	1.5
309.20816	2.9
329.24890	0.6
334.66956	0.4
397.13434	0.4
423.32486	0.4
430.30478	0.5
445.20572	0.5
453.33945	0.8
457.29333	0.5
473.29248	0.9
501.28445	0.9
502.29163	0.6
503.29593	0.5
567.37598	0.5
595.61646	0.5
633.39941	1.4
779.46198	19.0
780.46405	4.3
795.45306	2.1
796.46289	0.6
941.51605	100.0
942.51886	32.4
977.49255	80.7
978.49548	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	0.4
69.03450	1.2
71.01389	19.9
72.01725	0.3
72.99319	2.1
73.02953	5.1
74.21926	0.3
75.00859	0.4
81.03449	0.6
83.01391	8.4
85.02434	0.6
85.02956	11.9
86.00115	1.2
87.00893	2.0
89.02454	6.4
95.01399	2.9
97.02972	2.8
99.00879	3.2
101.02457	16.8
103.04022	1.8
111.00882	0.7
112.01673	1.0
113.02467	12.9
114.02805	0.4
115.04079	0.5
119.03522	2.2
122.92097	0.3
125.02467	4.4
131.03506	0.8
135.02794	0.3
143.03520	7.7
159.02989	0.4
161.02518	0.7
161.04584	6.5
167.03535	0.5
179.05658	0.6
197.11862	0.4
209.11848	2.0
211.13402	0.7
227.12886	0.5
247.20938	0.3
308.40833	0.3
309.20764	0.7
385.88690	0.4
397.13297	0.3
418.93069	0.3
453.33905	0.7
460.28714	0.3
567.36743	0.4
613.95868	0.4
633.40021	3.3
634.40289	0.5
779.46124	21.4
780.46417	4.8
795.46008	1.1
917.53290	1.0
941.51569	77.8
942.51898	21.5
977.49280	100.0
978.49573	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86573	5.7
70.86931	2.1
71.01392	27.0
72.01723	3.6
72.99332	4.3
73.02948	14.7
74.03282	1.7
83.01431	3.1
85.02959	41.9
86.03318	5.5
87.00889	7.9
87.04506	2.8
89.02464	6.9
95.01400	4.4
97.02959	1.8
99.00911	2.2
101.02457	25.5
102.02818	5.2
103.04005	4.9
109.02970	2.6
111.00923	2.3
113.02457	9.9
117.03402	2.5
119.05030	2.6
121.02931	3.5
125.02480	4.5
127.04038	4.1
131.03520	14.2
132.03824	3.6
133.02997	11.2
135.04533	7.5
143.03577	3.7
145.02983	2.5
161.02458	40.0
161.04553	3.1
162.02840	7.5
175.02467	3.5
175.03915	2.2
179.03522	7.9
209.11871	3.3
243.75423	2.0
247.08479	2.2
383.10007	10.7
384.10016	4.4
419.04047	2.1
556.78253	2.3
769.47485	2.3
774.43085	2.1
897.50958	3.6
898.51636	7.7
913.52271	2.6
914.51855	7.3
915.52344	44.6
916.52850	100.0
917.52985	10.2
930.52234	4.9
976.51465	88.2
977.51343	31.6
992.82062	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	976.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71011	1.0
69.86900	1.9
69.87305	5.4
71.01388	22.4
72.99328	2.5
73.02952	9.1
75.00874	1.5
81.03465	1.6
83.01384	4.1
83.05007	1.1
85.02959	28.2
85.24612	1.0
86.00075	1.4
86.03272	1.8
87.00890	6.1
87.04517	3.8
88.98846	2.1
89.02452	10.8
93.03468	1.2
95.01396	2.7
97.02991	1.4
99.00861	2.1
99.04519	1.5
101.02458	21.0
103.03999	1.4
109.02974	2.4
113.02431	6.2
115.00397	2.1
115.04034	1.2
119.03526	2.5
119.05039	1.6
125.02442	2.4
127.04021	3.9
131.03537	12.2
132.03842	1.6
133.02980	1.5
134.03723	1.3
137.02441	1.2
143.03479	3.6
145.02930	2.6
145.04997	1.1
147.04504	1.0
149.02368	1.5
150.03175	2.0
151.60223	1.1
159.10249	3.1
160.01698	1.2
161.02437	3.8
163.03987	1.5
165.05602	2.0
167.03497	1.4
175.02507	2.0
179.05641	1.1
190.02718	1.2
190.26788	1.0
205.05232	1.5
205.07224	2.3
209.11882	1.3
231.08751	1.3
257.12949	1.0
265.09689	1.2
321.08649	1.7
337.07724	1.3
364.70898	1.1
393.18320	1.2
397.13052	1.2
408.53500	1.2
435.34534	1.2
463.30692	1.5
464.31036	1.1
491.19568	1.3
609.36566	4.1
610.37231	5.3
611.37079	4.4
612.37219	2.8
647.11237	1.1
692.57263	1.1
709.25500	1.2
755.42590	43.2
756.42859	100.0
757.43054	13.8
784.73315	1.1
797.46252	1.2
898.52625	2.2
916.53381	5.7
944.29077	1.9
976.51807	45.1
977.53064	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	976.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	20.4
73.02952	5.2
74.86288	2.7
83.01406	5.2
85.02988	13.1
87.00879	3.4
88.98842	5.3
89.02454	6.6
101.02446	14.4
108.93520	2.9
113.02454	10.1
117.03492	4.8
119.03548	5.0
119.05032	4.9
125.02420	4.7
131.03487	8.9
133.02937	3.0
135.04549	4.3
137.02452	3.1
145.02928	11.7
150.03207	4.9
155.99492	2.6
161.02417	9.9
161.04617	3.6
161.08188	12.3
161.09373	2.4
163.04027	3.5
165.05571	3.2
179.05664	3.6
230.07870	3.5
337.75766	2.9
354.37939	2.9
562.11401	3.5
609.36505	7.2
610.36865	15.7
611.37189	19.8
612.37360	12.2
624.60858	3.4
626.71674	3.0
655.30792	2.7
699.81287	3.4
764.71399	3.1
769.56195	3.1
817.40375	3.5
834.42059	6.1
916.52466	7.0
941.50964	5.5
962.72931	3.0
976.51740	100.0
977.51953	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	976.516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	59.9
71.70980	10.2
73.02971	12.7
83.01402	21.8
85.02965	35.9
87.00900	19.0
88.98827	12.2
89.02467	26.8
96.96079	8.0
101.02464	51.6
108.33100	7.6
109.81215	8.5
111.00875	12.7
113.02492	27.2
115.00419	12.3
118.17235	7.7
119.05047	9.3
121.02959	10.3
125.02481	14.7
128.03458	12.1
133.03008	20.3
143.04645	10.2
145.03029	13.8
160.01700	11.7
161.02521	38.2
161.04546	9.6
165.05620	9.6
175.86639	7.6
193.05109	9.2
209.11832	13.4
306.07715	22.0
672.35748	10.7
826.02417	10.7
834.42896	39.8
915.52740	17.5
916.52771	73.0
976.52197	100.0
977.50800	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32231	1.8
69.72247	1.8
70.61698	1.8
70.62050	5.9
71.01395	23.9
72.01727	3.0
72.99330	4.5
73.02949	13.8
75.00867	3.8
83.01403	4.8
85.02964	31.1
86.03295	2.9
87.00893	8.9
87.04543	3.2
89.02444	5.7
95.01388	3.2
97.03011	2.2
99.04514	2.9
101.02460	17.5
102.02803	2.7
103.04002	2.2
109.02969	2.5
111.00884	3.7
113.02460	5.8
121.02992	2.6
125.02517	3.4
131.03523	8.4
142.06677	2.4
143.03566	3.7
145.02945	2.0
145.47322	1.6
148.12766	1.8
151.04086	1.8
161.02469	5.4
161.59486	1.8
163.03999	2.2
180.51973	1.8
209.11847	6.1
211.13405	3.0
255.06845	2.0
291.10760	1.7
503.30341	3.1
547.61627	2.0
759.66956	1.9
769.47247	1.9
897.51331	2.7
898.51837	3.2
915.52789	26.1
916.53284	100.0
917.52887	11.1
941.53436	2.1
947.66705	1.9
976.51624	82.4
977.52167	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	976.515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	2.6
71.01387	34.1
72.01733	1.6
72.99320	5.4
73.02947	13.7
75.00858	1.7
77.58136	1.6
83.01394	8.3
85.02957	43.7
86.03304	5.0
87.00881	7.6
89.02457	12.3
95.01404	3.1
97.02988	3.2
98.19793	2.0
99.00846	2.6
99.04556	2.1
101.02462	26.0
103.04022	3.5
113.02459	12.0
115.04022	2.1
118.19764	1.6
119.03539	1.8
121.03002	1.6
125.02480	5.6
127.04075	2.5
131.03551	7.6
132.02437	1.5
133.02975	3.6
135.04558	1.9
143.03552	7.2
161.02496	13.9
161.04588	5.7
162.02852	2.3
165.05496	1.6
175.61411	1.6
179.03546	1.6
205.07169	2.2
209.11855	7.8
211.13303	1.8
227.12813	2.2
231.08794	2.0
236.14618	1.4
247.08435	1.8
264.10587	1.4
289.18103	2.3
291.10794	1.7
309.20694	3.1
383.09766	2.5
489.35678	3.0
633.40820	1.6
779.46222	14.7
795.46411	2.0
914.52679	4.9
915.52759	31.1
916.53192	89.2
917.53680	11.8
941.51501	69.7
976.51477	66.1
977.49683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80685	13.1
71.01390	22.9
72.01720	2.5
72.99335	4.1
73.02944	10.9
75.00871	2.0
81.03464	2.0
83.01428	3.7
85.02963	35.7
86.03289	6.0
87.00890	8.8
87.04556	1.8
89.02462	5.8
95.01400	2.9
97.32378	1.6
99.00855	3.1
99.04499	2.1
101.02465	22.5
102.02802	3.4
103.04039	2.6
109.03003	2.4
113.02471	3.3
121.02988	2.9
125.02467	3.9
127.04037	3.9
131.03531	8.0
133.02992	5.7
135.04529	4.3
143.03511	2.9
161.02472	20.0
161.04460	2.3
162.02788	3.7
179.03526	2.5
209.11844	2.2
223.14096	1.7
281.06656	2.3
311.24210	1.7
383.09888	6.1
384.10223	3.7
472.34818	2.2
634.21289	2.1
640.03589	2.0
651.85339	1.9
897.51971	3.3
898.51831	6.3
900.51056	1.9
913.52661	3.4
914.52618	6.2
915.52509	47.1
916.52899	92.2
917.53351	6.9
930.52557	3.6
976.51624	100.0
977.52313	23.3
993.05048	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	976.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62378	1.6
71.01388	21.8
72.01725	4.1
72.99322	2.2
73.02946	11.3
83.01385	2.1
85.02962	40.5
86.03283	7.9
87.00893	8.9
87.04509	2.8
89.02435	11.6
99.04545	1.9
101.02467	12.5
102.02785	2.0
107.25162	1.8
111.17858	1.7
113.02434	4.1
114.18072	1.6
115.04044	1.9
119.03495	1.9
119.63722	2.2
125.02443	1.9
127.04006	4.4
131.03494	6.5
132.03789	1.5
143.03506	3.4
145.05081	2.1
161.02403	2.9
200.82187	1.7
229.33679	1.8
231.08711	3.3
235.47977	1.6
259.09973	1.6
295.57233	1.5
913.51874	4.8
914.52588	9.7
915.35474	3.3
915.52576	47.0
916.52777	100.0
917.53168	6.4
976.51532	90.3
977.51959	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	2.6
71.01387	34.1
72.01733	1.6
72.99320	5.4
73.02947	13.7
75.00858	1.7
77.58136	1.6
83.01394	8.3
85.02957	43.7
86.03304	5.0
87.00881	7.6
89.02457	12.3
95.01404	3.1
97.02988	3.2
98.19793	2.0
99.00846	2.6
99.04556	2.1
101.02462	26.0
103.04022	3.5
113.02459	12.0
115.04022	2.1
118.19764	1.6
119.03539	1.8
121.03002	1.6
125.02480	5.6
127.04075	2.5
131.03551	7.6
132.02437	1.5
133.02975	3.6
135.04558	1.9
143.03552	7.2
161.02496	13.9
161.04588	5.7
162.02852	2.3
165.05496	1.6
175.61411	1.6
179.03546	1.6
205.07169	2.2
209.11855	7.8
211.13303	1.8
227.12813	2.2
231.08794	2.0
236.14618	1.4
247.08435	1.8
264.10587	1.4
289.18103	2.3
291.10794	1.7
309.20694	3.1
383.09766	2.5
489.35678	3.0
633.40820	1.6
779.46222	14.7
795.46411	2.0
914.52679	4.9
915.52759	31.1
916.53192	89.2
917.53680	11.8
941.51501	69.7
976.51477	66.1
977.49683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6602
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55244	0.4
70.55615	0.1
71.01388	0.5
72.99314	0.1
73.02954	6.3
81.11047	0.1
83.01463	0.1
85.02983	0.5
98.20618	0.1
99.00916	0.1
101.02438	0.1
107.18545	0.1
145.23337	0.1
207.10263	0.2
209.11887	0.4
227.12950	0.1
291.19745	0.1
307.19128	0.1
309.20932	0.1
313.52875	0.1
391.30142	0.6
392.30563	0.1
397.31155	0.7
398.31546	0.1
399.28378	0.1
399.33014	0.8
400.33356	0.1
409.26871	0.2
409.31796	0.5
411.32666	0.3
423.29120	0.4
425.30624	0.7
426.30966	0.1
427.32205	1.4
428.32605	0.1
429.28546	0.1
429.33884	1.3
430.33875	0.1
439.32181	0.7
443.31717	0.2
471.31293	5.8
472.32535	0.8
473.32727	100.0
474.33081	13.4
485.32529	0.4
486.33200	0.2
487.30011	1.1
488.31216	0.3
499.30734	0.1
501.32224	29.8
502.32562	4.1
651.26758	0.1
975.66638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.8
71.01388	12.5
71.05024	0.7
72.01738	0.6
72.99316	2.4
73.02956	6.9
75.00866	1.0
81.03454	0.7
83.01402	2.5
83.05025	0.5
85.02962	21.4
86.00095	1.0
86.03294	0.5
87.00891	3.5
87.04519	2.0
88.98804	0.8
89.02459	4.9
95.01390	1.1
95.05020	0.3
97.02970	1.2
99.00895	1.1
99.04528	1.4
101.02455	13.4
101.06153	0.3
103.04027	2.1
109.02979	1.1
111.00873	0.4
113.02473	2.0
115.04006	1.2
116.92876	0.3
117.03487	0.5
119.03560	1.5
119.05013	0.8
121.02961	0.4
124.97215	0.2
125.02435	0.8
125.06091	0.3
127.04044	2.6
129.01924	0.3
131.03528	11.0
132.03900	0.5
133.02979	0.6
134.03851	0.3
135.04495	0.4
137.02397	0.4
142.06595	0.3
143.03485	2.0
145.03000	1.4
145.05081	1.0
149.02399	0.3
150.03223	0.7
151.00339	0.2
159.10283	1.8
160.01683	0.5
161.02490	1.6
161.04582	0.7
163.03996	0.7
163.06169	0.7
164.04657	0.3
165.05547	0.9
175.04008	0.6
177.01952	0.2
179.03436	0.5
179.05591	0.7
190.02701	0.5
191.03415	0.3
201.81284	0.2
205.05220	0.4
205.07037	1.1
209.11896	0.4
231.08612	1.1
247.08192	1.3
257.13089	0.3
291.10852	0.7
321.08875	0.6
331.26535	0.6
337.07703	0.5
463.30603	2.1
464.30859	0.5
503.18579	0.3
609.36554	4.4
610.36615	2.5
611.37177	2.8
755.42548	100.0
756.42914	23.5
756.53406	0.5
795.45337	0.4
833.41870	0.6
897.52985	1.4
898.52393	0.7
914.51752	0.3
915.53021	5.1
916.53534	1.2
929.50165	0.3
943.29034	1.0
944.29828	0.5
975.53253	2.1
976.51758	6.4
976.72388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26658	0.2
71.71725	0.3
83.01391	0.7
99.49943	0.2
107.01421	1.6
108.02214	0.5
109.02959	0.7
115.07658	0.4
119.01384	0.2
121.02961	1.1
125.02470	0.4
135.00867	0.4
142.06653	0.5
147.04559	2.3
148.01688	0.6
149.02457	0.2
150.99149	0.4
151.00392	7.1
152.00740	0.2
153.01891	0.2
155.53732	0.2
159.04495	0.2
161.02507	0.4
163.00414	1.3
164.01169	0.4
165.05600	2.4
169.01465	0.6
175.03978	0.2
178.99867	3.8
187.12419	0.2
190.02754	0.3
190.99872	0.3
204.06747	0.4
207.06691	1.4
211.04041	0.6
215.03569	0.3
216.04185	0.3
224.27298	0.2
226.02734	0.9
227.03563	1.2
229.05083	0.4
239.03372	0.2
242.60855	0.2
243.02975	5.1
244.03418	0.7
245.04555	0.7
254.02173	1.4
255.02988	15.2
256.03381	1.3
271.02469	32.1
272.02921	3.5
273.04025	0.9
283.02515	0.7
299.02023	0.7
300.02762	65.4
301.03476	27.5
302.03931	2.0
343.04636	0.5
402.04819	0.2
591.35303	0.2
609.14758	100.0
610.15082	17.1
904.62115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.521
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	0.4
69.03459	1.4
69.36006	0.2
70.68275	0.5
70.68658	0.4
71.01385	61.2
71.05032	0.4
72.01729	1.0
72.99312	7.3
72.99722	0.4
73.02950	7.5
75.00890	0.7
81.03463	0.9
83.01398	4.9
83.05009	0.3
84.02193	0.3
85.02959	23.8
85.99669	0.2
86.00098	1.2
86.03285	0.5
87.00381	0.4
87.00884	6.2
87.04523	2.1
88.98802	0.4
89.02454	47.9
90.02790	0.8
95.01403	5.5
95.05039	0.7
96.01778	0.2
97.02964	2.9
97.06506	0.2
99.00888	2.6
99.04522	1.2
101.02457	41.5
102.02799	0.9
103.04024	2.8
109.02955	0.4
111.00890	0.5
112.01678	0.8
113.02465	24.1
113.06097	0.6
114.02789	0.7
115.04020	0.8
116.92869	0.4
119.03519	15.7
120.03832	0.4
121.02956	0.5
124.01640	0.5
125.02467	2.2
127.04028	0.6
129.01987	0.3
131.03525	3.7
132.02150	0.6
133.02951	1.4
134.03812	1.3
135.04544	1.3
137.02440	0.4
139.00346	0.3
142.06642	0.8
143.03517	7.1
144.03809	0.3
145.03001	0.5
145.05081	0.6
145.08696	0.3
147.00926	0.3
147.04517	0.4
149.02484	1.2
149.04575	1.8
149.05774	0.3
150.03226	0.7
151.04025	0.2
159.02962	0.2
159.04507	0.2
160.01665	3.0
161.02525	3.2
161.04570	13.0
161.21738	0.2
162.03030	0.2
162.04955	0.6
163.04019	0.6
163.06143	0.7
164.04788	0.8
165.01978	0.4
165.05577	1.1
167.03554	0.3
175.00397	1.1
175.02637	0.4
175.03999	2.4
176.01125	0.3
176.04552	0.2
177.01923	0.3
179.05624	16.5
180.04103	0.2
180.05959	0.8
181.99138	0.2
186.05556	0.3
187.09821	0.2
190.01143	0.3
190.02745	3.0
191.03427	0.6
193.05060	1.1
195.06639	0.5
203.05841	0.3
204.06674	0.7
205.03435	0.3
205.05070	2.1
205.07060	0.5
208.03787	0.2
223.06058	0.4
232.47096	0.2
246.07684	0.2
251.11565	0.3
265.07199	0.4
267.06564	0.3
267.30133	0.3
277.09686	0.2
281.06689	0.3
293.13019	0.2
293.17752	0.2
306.07602	0.3
327.23209	0.4
329.24670	0.3
355.26376	1.0
379.26587	0.4
381.28149	1.0
399.29218	0.8
487.34384	0.6
488.34790	0.3
505.35431	0.3
517.31549	1.3
543.33337	1.8
561.34607	2.4
562.34644	0.6
613.37567	0.4
631.38672	0.8
649.39777	3.3
650.40399	0.5
685.24988	0.2
697.25238	2.3
698.25562	0.7
707.40088	0.4
709.25470	1.7
710.25421	0.4
727.25775	1.0
728.26678	0.4
795.45624	100.0
796.45990	24.1
812.45709	0.3
813.46741	2.4
814.46558	0.4
817.41864	0.4
829.45935	0.9
830.46381	0.2
915.46552	0.4
931.32288	1.3
932.33008	0.3
957.51715	1.4
958.50513	0.6
975.52148	43.3
976.52539	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	974.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17039	14.2
71.01386	38.4
72.01705	3.5
72.99322	4.2
73.02941	9.5
81.36358	3.6
83.01385	6.8
85.02975	22.9
87.00907	4.0
88.98791	3.1
89.02438	14.1
94.95874	2.8
97.02969	4.1
98.20541	3.7
99.00887	6.3
99.92594	9.3
101.02457	18.7
113.02454	15.2
116.92878	100.0
117.01926	5.6
117.92863	22.4
118.92673	3.6
122.71902	3.1
160.56352	3.2
161.04640	4.9
209.11826	11.8
211.13356	7.1
232.03563	3.7
307.18994	3.4
335.31592	3.0
397.13672	5.0
468.93604	2.9
471.30994	6.6
485.32925	15.9
486.33163	4.4
487.30838	9.7
488.30615	4.5
500.32404	3.3
501.32135	6.2
502.32870	4.3
603.28467	3.9
622.73846	3.3
750.48730	3.6
751.49121	9.1
752.49414	8.4
911.53540	9.8
912.54138	10.2
913.54596	39.9
914.54871	83.6
915.52582	10.9
974.53766	99.3
975.53668	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	20.1
72.01734	3.2
72.99310	3.3
73.02949	11.1
74.03273	1.3
74.68323	1.6
75.00890	1.9
83.01411	1.7
85.02962	35.8
85.75449	1.2
86.03278	6.7
87.00906	7.5
87.04554	1.6
89.02444	6.9
95.01398	1.4
97.02991	1.5
98.20744	2.6
101.02464	12.5
102.02785	2.9
103.02863	1.4
113.02494	2.5
115.04028	1.5
123.80016	1.1
127.04059	2.4
131.03511	5.9
143.03485	3.0
145.05086	2.6
161.02441	1.5
190.06059	1.3
205.07118	2.5
209.11893	2.1
291.10873	1.2
318.73404	1.3
463.74527	1.4
501.32693	1.5
768.45667	2.0
911.50574	2.2
912.51581	6.8
913.51184	28.8
914.51361	100.0
915.52118	10.8
934.90833	1.7
974.50238	24.5
975.50244	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	973.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.2
69.03469	1.2
69.66412	1.1
71.01390	19.7
71.05035	0.4
72.01739	0.3
72.99318	3.1
73.02956	10.9
74.03271	0.2
75.00887	1.3
81.03481	0.8
83.01397	2.1
83.05045	0.5
85.02965	37.8
86.00113	1.0
86.03294	0.8
87.00890	6.3
87.04529	2.0
88.98789	0.1
89.02460	9.0
90.02790	0.1
95.01404	1.0
97.02974	1.5
99.00901	1.2
99.04529	1.9
101.02460	14.9
102.02789	0.3
103.04037	2.7
109.02964	0.8
111.00928	0.2
111.04509	0.2
112.01656	0.2
113.02468	3.7
115.04038	1.9
119.03523	1.3
123.04640	0.1
125.02446	1.0
127.04037	3.6
129.01952	0.3
131.03532	8.6
132.03844	0.2
143.02403	0.3
143.03529	5.0
145.05096	2.3
149.04630	0.7
149.05675	0.1
159.02974	0.2
161.04561	0.4
163.06169	1.0
179.05620	0.4
179.96175	0.1
193.05339	0.1
205.07214	2.6
209.11855	0.2
227.39853	0.1
229.07156	0.3
231.08759	2.1
247.08237	1.7
257.57156	0.1
291.10831	1.1
309.20554	0.2
351.13000	0.8
392.44711	0.1
455.31232	0.3
457.33566	0.8
469.33298	0.4
471.34875	0.2
473.36472	0.6
487.34702	0.2
489.36420	1.3
490.36249	0.2
501.32379	0.5
533.35089	0.2
605.39618	0.1
621.40045	1.6
622.40454	0.3
710.09686	0.1
733.45569	0.4
734.45453	0.2
750.44885	0.2
751.46454	1.7
752.47144	0.4
767.45966	1.3
768.45917	0.3
785.63635	0.1
912.50513	0.4
913.51947	100.0
914.52283	28.0
923.90918	0.2
973.49231	0.5
974.49884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	0.2
69.03459	0.4
70.62443	0.6
70.62807	0.2
71.01387	24.7
71.38931	0.2
72.01721	0.6
72.99320	3.0
73.02950	4.6
75.00877	0.5
81.03475	0.3
83.01396	2.9
83.05035	0.3
83.13741	0.2
84.02199	0.2
85.02960	11.9
86.00109	0.3
87.00889	2.7
87.04526	0.6
88.98832	0.5
89.02456	15.6
90.02805	0.4
93.03457	0.2
95.01408	0.7
97.02968	0.5
99.00934	0.9
99.04545	0.6
101.02459	12.3
102.02821	0.4
103.04029	2.5
109.03021	0.4
111.00964	0.4
113.02470	5.2
113.32976	0.2
114.02800	0.6
115.04013	0.6
117.03482	0.2
119.03556	1.7
119.05038	3.1
125.02448	0.6
127.04038	0.6
129.02017	0.2
131.03522	9.4
132.03848	0.5
133.02971	0.5
134.03809	0.3
135.04539	0.5
143.03523	1.8
145.02983	0.7
145.05096	0.6
149.02563	0.2
149.04588	1.3
161.02437	1.5
161.04547	1.5
162.04868	0.4
163.04056	1.1
163.06177	1.2
163.07347	0.2
164.04422	0.2
165.05571	0.4
179.03481	0.4
179.05679	0.2
180.84888	0.2
205.07201	0.6
209.11925	0.4
217.01390	0.2
221.06583	1.4
222.06966	0.3
223.07512	0.3
254.09834	0.2
307.62903	0.2
309.55566	0.2
319.06161	0.4
323.10013	0.5
337.07224	0.5
373.27585	1.2
374.27582	0.3
383.12128	0.3
384.12341	0.2
419.29663	0.3
421.30994	1.1
423.32877	1.2
424.33136	0.6
425.33261	0.6
433.31165	0.3
441.33737	0.6
451.32281	0.2
453.33719	0.8
457.11618	0.3
471.34793	1.7
472.35126	0.4
485.32727	8.9
486.33066	12.3
487.33347	10.1
488.33820	0.6
497.32251	0.3
505.31815	0.6
555.37610	0.3
585.38116	0.4
603.15302	0.3
603.39069	6.8
604.39362	1.2
731.43427	0.5
749.45135	100.0
750.45459	24.8
751.45032	0.6
781.43866	0.2
811.40680	0.4
912.50806	0.2
913.50897	7.9
914.51343	2.3
972.49750	1.0
973.49573	24.9
974.49994	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	973.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.9
71.01389	28.2
71.71418	0.6
72.99310	3.9
73.02954	14.0
75.00874	3.1
81.03459	0.9
83.01391	4.5
83.05029	0.9
85.02960	47.0
86.00111	1.1
86.03265	1.3
87.00887	7.2
87.04520	1.8
88.98808	1.8
89.02460	12.3
95.01368	1.1
97.02927	2.6
99.00871	2.0
99.04511	1.8
101.02460	21.4
103.04025	2.9
109.02978	1.1
111.00935	0.6
112.02737	0.5
113.02469	6.6
115.00363	1.4
115.04028	2.6
116.92867	0.8
117.03454	0.9
119.03515	2.0
119.05051	4.0
121.02981	1.2
122.06110	1.4
125.02438	2.4
127.04021	4.5
131.03528	12.9
132.03770	0.8
133.03008	1.3
135.04543	1.1
141.09258	1.1
143.03526	6.4
145.02931	1.6
145.05083	2.9
149.04538	1.0
159.02933	0.6
160.01764	0.5
161.02461	3.2
161.04515	1.3
163.03995	1.5
163.06166	1.0
165.05592	0.7
175.02538	2.9
178.02669	0.5
179.03537	1.0
191.03593	0.6
193.04955	0.7
205.07173	3.4
209.11774	0.9
217.01382	0.9
223.07751	0.5
231.08693	2.4
243.76181	0.5
247.08185	1.9
251.11943	0.7
277.09766	1.3
291.10928	2.2
309.91748	0.6
313.21701	0.7
315.23209	2.1
327.82117	0.6
337.07196	0.7
343.12958	0.5
347.22070	0.8
347.25800	2.6
351.13055	1.6
383.12317	0.7
457.11496	1.5
479.30261	4.3
480.30463	1.0
487.34036	1.0
490.19586	0.9
581.23169	0.7
592.86963	0.7
603.15283	0.7
609.36572	15.1
610.36755	2.3
625.35974	2.6
733.32819	0.6
767.45648	1.2
771.42004	100.0
772.42432	20.0
895.51331	4.3
896.51099	1.1
913.51929	46.1
914.52112	14.0
955.39453	0.8
973.52661	5.4
974.48602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99838	0.4
69.03450	2.1
70.27907	1.0
71.01389	32.7
71.05031	0.8
72.01720	0.4
72.99316	3.6
73.02955	17.7
74.03296	0.3
75.00881	3.2
81.03480	1.5
83.01392	3.2
83.05032	0.9
84.02188	0.4
85.02962	65.2
86.00110	1.2
86.03295	1.0
87.00887	11.5
87.04521	3.1
89.02457	15.5
90.02808	0.4
95.01417	1.4
97.02967	2.2
99.00903	1.9
99.03956	0.4
99.04536	3.5
101.02461	21.9
102.02800	0.4
103.04033	4.0
109.02990	0.9
111.04563	0.3
113.02467	6.2
115.04034	4.0
119.03514	2.2
125.02467	1.7
127.03124	0.4
127.04040	5.5
129.01920	0.5
131.03529	15.2
132.03876	0.3
135.04514	0.3
143.03525	8.1
144.03806	0.2
145.05092	4.1
149.04553	1.9
151.04018	0.4
163.06163	1.8
187.06078	0.3
205.07188	4.7
211.13445	0.2
231.08755	3.5
232.09062	0.3
247.08246	3.0
291.10858	1.9
297.22308	0.8
311.20282	0.6
313.21582	2.1
325.21741	0.6
345.20688	0.4
345.24341	1.5
346.24750	0.4
351.12988	1.6
373.27411	0.5
389.23395	0.8
407.24271	0.3
411.19229	0.3
421.31296	0.8
423.32599	0.3
439.32553	0.7
453.33752	0.7
471.35202	1.5
477.28796	0.4
495.29510	3.4
496.29837	0.5
506.13443	0.3
538.23236	0.3
603.38647	1.8
621.40094	0.6
623.34625	0.4
641.35400	1.0
749.45477	1.6
750.45654	0.7
751.45776	0.4
767.45923	1.3
768.46948	0.4
769.40289	1.3
770.40265	0.3
787.41504	29.6
788.41870	5.3
877.49658	0.4
895.50928	44.7
896.51239	11.0
913.51953	100.0
914.52301	23.4
973.50769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.4
69.48159	3.0
70.31072	0.3
71.01386	19.0
72.01713	0.4
72.99311	2.6
73.02101	0.3
73.02952	4.6
75.00897	0.6
81.03480	0.6
83.01398	3.6
83.05042	0.3
85.02958	18.2
86.00094	0.5
87.00887	1.9
87.04525	0.8
89.02457	7.4
95.01400	1.4
97.02963	1.0
99.00900	1.8
99.04554	0.7
101.02459	18.7
102.02805	0.4
103.04018	2.0
109.02978	0.4
112.01691	0.4
113.02464	6.9
115.04032	0.4
119.03535	2.0
125.02452	0.8
127.04039	0.6
131.03520	13.6
143.03502	1.3
145.05031	0.6
161.04535	1.1
179.05624	0.5
209.11789	0.5
231.35674	0.3
247.08212	0.4
285.93942	0.3
293.20944	0.4
314.45956	0.3
329.25055	0.3
347.25784	0.3
357.28290	0.5
473.36337	4.6
474.36600	0.8
499.30197	0.4
548.48102	0.4
568.78015	0.4
605.40137	1.6
733.45612	1.1
751.46637	10.8
752.46698	2.5
767.45844	1.3
787.40582	1.3
895.50885	3.1
896.51318	0.7
913.51923	100.0
914.52252	27.1
973.50403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.6659
Annotation	Unknow
Peak:m/z	Relative Intensity
83.34246	0.1
96.68576	0.0
98.20833	0.1
116.92888	0.2
120.18735	0.1
229.80231	0.1
245.19014	0.1
337.25439	0.1
361.28909	0.1
363.26941	0.2
365.28357	0.3
379.30075	1.9
380.30438	0.2
407.29572	0.6
408.30341	0.1
425.30515	0.4
426.31021	0.1
439.32214	4.1
440.32443	0.6
451.32068	0.1
455.31619	0.2
469.33221	100.0
470.33560	16.1
501.32208	38.3
502.32556	5.9
502.40195	0.1
640.75012	0.1
732.84393	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	973.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	19.0
71.19115	1.5
72.99314	3.0
73.02952	6.1
75.00877	24.6
83.01389	3.6
85.02960	14.2
86.00100	1.2
86.03407	0.5
87.00881	2.0
89.02449	7.7
90.96905	0.5
95.01412	1.3
97.02979	1.0
99.00891	2.0
99.04549	0.5
101.02458	19.4
103.03991	0.5
112.01707	0.9
113.02455	8.4
116.92891	0.9
119.03492	1.8
125.02465	1.1
131.03517	11.7
137.02428	0.7
142.06706	0.5
143.03510	0.6
149.02382	0.6
159.02928	0.5
161.04581	1.5
179.05614	0.6
209.11862	1.6
221.15515	1.1
234.16071	0.5
236.10474	0.6
293.20981	0.9
333.18127	0.4
390.46918	0.5
397.13614	1.0
473.36514	4.3
485.28793	1.1
487.30356	3.5
517.31561	2.4
589.41522	0.5
605.40405	1.0
629.94861	0.5
751.46490	6.6
752.47101	1.5
767.46057	2.0
777.24011	0.6
865.19623	0.6
897.52502	2.7
898.54004	0.7
913.51935	100.0
914.52319	25.6
914.71393	0.8
973.46558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.8
71.01389	37.8
71.05020	1.5
72.71431	0.7
72.99314	2.7
73.02953	24.4
75.00880	2.3
77.34277	0.7
77.87537	0.7
81.03465	2.2
83.01402	5.0
83.05054	0.8
85.02962	56.8
86.00114	0.8
86.03314	0.9
87.00889	10.8
87.04518	3.1
89.02448	5.3
95.01407	3.4
95.37164	0.7
97.02979	5.0
97.06599	0.9
99.00899	4.4
99.04539	5.1
101.02461	27.8
102.02785	1.0
103.04036	3.4
109.02958	2.6
111.00866	0.8
113.02463	12.6
115.04038	2.5
119.03529	1.3
120.66350	0.7
125.02451	3.4
127.04043	7.6
130.54109	0.7
131.03561	3.5
140.83366	0.7
143.03534	7.1
145.05089	3.1
159.03024	1.5
161.04573	3.9
163.06134	1.2
205.07159	2.8
229.45473	0.8
231.08757	2.1
247.08197	4.4
291.10779	3.6
331.26389	3.8
351.12927	1.5
579.61816	0.8
621.36774	1.0
639.37573	1.5
765.48358	1.7
785.43579	100.0
786.43890	19.6
893.52618	6.6
894.53394	2.6
911.54004	98.7
912.54352	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	971.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	0.2
69.03462	0.8
69.53812	2.1
71.01387	31.1
71.90205	0.2
72.01715	0.5
72.99315	2.7
73.02955	9.1
74.29733	0.2
75.00876	0.5
79.07922	0.2
81.03476	0.4
83.01392	5.8
83.05054	0.2
84.02184	0.5
85.02962	18.6
85.08138	0.2
86.00104	0.6
86.03310	0.2
87.00892	2.5
87.04527	0.3
87.47102	0.2
88.98814	0.2
89.02457	9.9
95.01405	3.1
97.02953	2.1
99.00901	4.2
99.92555	0.2
101.02455	24.0
102.02765	0.4
103.04027	1.1
111.00900	0.5
112.01706	0.5
113.02465	16.1
114.02789	0.4
114.93414	1.4
115.00385	0.3
115.04010	0.5
116.92886	0.7
119.03520	2.5
121.89713	0.2
125.02472	3.3
129.01967	0.5
131.03522	0.9
142.67056	0.2
143.03525	3.1
145.05078	0.4
157.91293	0.2
159.03024	1.8
160.73567	0.2
161.04587	6.1
162.83138	0.2
163.06122	0.4
179.05573	0.5
187.27475	0.2
205.07150	0.7
209.11641	0.2
211.13402	0.7
224.50839	0.2
239.13087	0.2
300.26755	0.2
309.20715	0.6
367.23166	0.2
397.13550	0.3
471.30634	0.2
485.33337	1.7
499.30643	0.4
537.39581	0.4
603.42676	1.0
667.04987	0.3
749.48755	14.1
750.48840	2.4
765.48608	1.1
787.49274	0.2
911.53986	100.0
912.54340	25.0
971.49951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99835	0.2
69.03463	0.7
71.01389	23.4
71.05059	0.2
72.01710	0.3
72.99315	3.2
73.02953	8.5
74.13794	0.2
75.00883	0.7
81.03457	0.3
83.01398	4.5
83.05062	0.2
85.02962	25.7
86.00113	1.1
86.03296	0.4
87.00891	2.9
87.04540	0.9
89.02458	8.8
95.01386	1.5
95.50340	0.2
96.96037	0.4
97.02953	0.9
98.20602	0.6
99.00892	1.8
99.04520	0.9
101.02458	22.1
102.02793	0.4
103.04025	2.0
109.02976	0.3
111.00893	0.3
112.01697	0.6
113.02471	6.7
113.03248	0.4
115.04025	0.8
119.03535	1.8
123.08202	0.2
125.02464	0.7
127.04037	1.3
129.01952	0.3
131.03526	15.2
132.03896	0.4
134.03773	0.2
143.03513	1.9
145.05110	0.8
149.04507	0.2
159.02937	0.2
160.01712	0.4
161.02386	0.2
161.04572	1.2
163.06134	0.5
165.05449	0.2
175.04047	0.3
179.05632	0.6
193.05159	0.2
201.11377	0.6
205.07219	0.8
209.11850	0.6
217.83867	0.2
230.01962	0.2
231.08774	0.5
247.08183	0.6
291.10779	0.4
309.20700	0.9
317.24820	1.4
371.25772	0.4
389.27115	0.3
397.13580	0.6
455.31622	0.3
469.32849	0.3
471.34601	0.4
503.30307	0.3
568.10925	0.2
603.39081	0.9
607.24939	0.2
619.38342	0.4
647.37781	0.3
749.45172	17.3
750.45593	3.9
765.44690	2.0
766.44427	0.4
769.40466	0.3
911.50397	100.0
912.50726	31.2
971.47205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.4
69.55161	0.3
69.55515	2.0
71.01386	29.0
72.01739	0.4
72.02200	0.2
72.99307	3.2
73.02954	8.2
75.00882	0.4
81.03463	0.5
83.01385	2.2
83.05056	0.3
85.02958	11.4
86.00117	0.5
87.00881	2.9
87.04538	0.6
88.98842	0.3
89.02454	14.3
95.01417	0.7
97.02971	0.4
98.20633	0.4
99.00870	0.6
99.04507	0.3
101.02456	9.8
102.02822	0.2
103.04027	3.0
109.02986	0.4
111.00919	0.4
113.02460	3.8
115.04031	0.6
116.92857	0.2
119.03531	1.2
119.05050	0.4
123.08171	0.5
125.02436	0.7
127.04044	0.6
129.01991	0.3
130.06726	0.2
131.03534	5.4
132.02171	0.3
133.02975	1.3
134.03749	0.6
135.04532	0.9
136.04884	0.2
142.06671	0.4
143.03529	1.6
145.02965	0.7
145.05057	1.3
147.04628	0.2
149.02467	0.5
149.04576	0.8
149.06111	0.2
150.03238	0.9
151.00404	0.3
151.04037	0.3
158.05980	0.3
160.01668	0.4
161.02466	3.0
161.04572	0.6
163.03989	0.4
163.06136	1.7
165.05620	0.8
175.02592	0.4
175.04077	0.6
177.05626	0.3
179.03514	0.6
179.05699	0.4
179.07259	0.3
193.05029	0.4
204.06630	1.3
205.05258	0.3
205.07224	0.8
209.11783	1.2
281.29892	0.2
285.22232	0.4
299.20111	0.4
301.12213	0.3
301.21732	0.2
313.21536	0.2
315.23300	0.2
333.24353	2.6
334.24515	0.2
357.24307	0.2
375.25275	0.3
377.23199	0.4
383.11969	0.6
387.25610	0.3
405.26501	0.6
439.32111	0.6
453.30222	0.4
455.31638	3.0
465.28336	0.3
467.31708	0.8
485.32712	2.1
486.33075	0.3
487.35327	1.9
531.33466	1.4
597.23828	0.3
601.37421	0.4
603.20782	0.3
615.24487	0.5
619.38190	1.2
633.39844	0.2
647.27710	0.4
667.39111	0.6
689.29077	0.3
747.43964	0.7
765.44507	9.9
766.44391	1.6
809.44098	0.3
908.31177	0.4
911.50372	100.0
912.50708	29.6
939.33777	0.6
971.34039	0.3
971.49579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.6
71.01390	22.6
71.71082	0.6
72.99323	3.2
73.02589	0.5
73.02957	6.1
73.85373	0.4
73.98138	0.3
75.00452	0.7
75.00881	14.5
75.02353	0.3
75.89664	0.3
83.01397	4.9
85.02964	15.9
86.00097	0.7
87.00901	2.1
89.02464	6.1
95.01399	1.3
97.02969	0.7
99.00888	2.3
101.02460	19.5
102.02784	0.5
103.03996	0.6
111.00887	0.4
112.01691	1.0
113.02473	7.8
116.92892	0.6
119.03537	1.8
119.04984	0.4
123.08125	0.3
125.02453	0.9
127.04086	0.4
130.02808	0.3
131.03531	12.9
132.03792	0.4
143.03528	1.0
151.61748	0.3
159.02974	0.7
161.04584	2.1
179.05615	0.7
209.11859	0.5
293.21353	0.6
327.23215	0.5
329.24930	0.8
374.91037	0.3
397.13458	0.4
423.32828	0.9
453.33594	1.3
497.82404	0.4
501.32275	0.5
567.37299	0.4
572.11536	0.4
603.38831	1.1
749.45154	12.3
750.45380	3.4
765.44647	4.1
766.45013	1.3
883.49890	0.5
895.50836	2.1
896.50940	0.7
911.50409	100.0
912.50787	32.8
971.51306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5755
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.6
72.99314	2.3
73.02964	0.1
75.00876	0.2
83.05028	0.2
85.02972	0.2
87.00893	0.8
89.02451	0.1
95.93377	0.1
98.20601	0.2
101.02452	0.2
111.00929	0.1
113.02470	0.2
115.00403	0.9
116.05078	4.3
117.05439	0.1
122.06164	0.2
128.05077	1.2
130.06648	1.7
131.03798	0.1
131.07008	0.1
132.04572	0.5
133.02965	0.1
135.04581	0.1
140.05096	0.2
142.06644	100.0
143.06993	4.8
143.08150	0.1
144.04573	0.7
149.02440	0.1
149.06071	0.1
151.00394	0.1
151.04005	0.1
156.04605	0.1
158.06133	11.6
159.06473	0.7
160.07648	0.1
161.02443	0.3
165.05626	0.2
172.04065	0.5
174.05702	0.1
175.02538	1.1
175.03943	0.2
176.02827	0.1
179.03456	0.2
185.53941	0.1
186.05620	40.4
187.05977	2.2
187.07658	0.1
193.05016	0.1
202.05074	0.1
203.12901	0.2
204.06670	64.5
205.06993	3.6
217.01425	0.1
225.16193	0.1
246.07707	48.0
247.08051	3.3
257.12860	0.1
285.12372	0.3
286.12811	0.2
286.78107	0.1
293.13010	0.2
598.23694	0.3
607.20392	0.1
629.26099	0.4
630.26550	1.3
631.26868	0.3
641.16681	0.1
672.27618	0.4
677.49957	3.2
678.50330	0.7
687.27502	0.1
688.26971	0.3
690.29279	0.1
924.58948	0.6
925.58582	0.2
969.35913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03489	0.3
71.00991	0.6
71.01387	11.8
72.99311	0.7
73.02960	3.3
75.00936	0.2
83.01388	2.2
85.02958	5.6
86.00114	0.4
87.00890	2.6
89.02454	5.1
95.01418	1.4
97.02976	0.7
99.00871	1.3
101.01778	0.4
101.02460	9.1
111.00878	0.4
113.02474	6.4
119.03529	1.3
125.02479	1.1
129.02023	0.3
131.03517	4.0
133.45628	0.3
143.03513	1.9
159.03018	0.8
161.02547	0.5
161.04573	6.9
166.93475	0.3
179.03377	0.3
179.05634	0.6
214.18126	0.3
221.06671	6.1
229.65231	0.3
323.09915	3.3
324.10056	0.3
383.11969	1.9
423.32739	5.4
424.33051	0.8
464.86240	0.3
465.15576	0.3
485.32727	100.0
486.33102	16.0
499.34027	0.5
527.33929	1.1
596.77161	0.3
809.41614	0.4
911.50708	3.8
912.50586	0.8
929.51398	0.4
971.48956	82.7
972.49268	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	965.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	27.6
71.03507	1.7
72.01720	0.8
72.99300	1.8
73.02966	3.8
75.00902	1.2
81.38694	0.7
83.01405	3.6
83.05050	0.7
85.02964	11.7
86.00112	0.8
87.00875	3.8
87.04503	0.9
87.45821	0.7
88.98832	1.2
89.02460	17.9
95.01425	3.8
97.02978	0.8
97.67519	0.6
99.00883	1.5
101.02467	21.2
111.00894	0.9
112.98779	0.8
113.02471	11.8
116.54745	0.6
116.92925	1.0
119.03530	6.6
119.05034	1.6
125.02505	1.6
129.01959	2.0
131.03520	11.3
133.02956	0.9
135.04526	0.8
142.06650	0.7
143.03557	1.4
150.03241	0.9
159.03004	0.8
161.02449	2.1
161.04562	6.3
163.04025	0.8
167.03772	0.9
171.10329	1.6
174.01669	0.6
175.02472	1.2
175.04074	0.8
179.05611	9.8
186.20789	0.7
204.06694	1.3
207.10231	0.7
209.11792	2.1
209.15408	1.3
209.36195	0.7
221.06700	6.8
225.11288	1.3
253.14418	1.1
263.07739	7.0
277.33890	0.7
397.13806	1.0
401.30646	1.7
471.34869	1.9
471.49811	1.0
533.35022	0.8
749.45471	2.4
750.45026	1.0
767.46844	1.5
783.45789	1.1
846.84863	1.0
911.52014	1.2
927.49518	2.1
928.49573	1.1
929.51569	50.9
930.51678	13.7
965.49274	100.0
966.49487	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	965.6892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99200	0.9
69.99612	2.4
78.91903	0.6
79.95716	0.6
80.96515	1.0
82.71371	0.6
89.02441	0.5
92.57243	0.5
92.69894	0.5
96.96069	1.4
98.19926	0.7
101.08018	0.5
102.63812	0.5
126.90465	2.2
146.82675	0.5
209.11877	1.2
252.82224	0.6
272.18329	0.5
277.21674	1.4
280.38785	0.6
286.11615	0.6
351.69601	0.5
382.60858	0.5
395.18954	0.6
417.45541	0.6
471.34821	92.0
472.35159	15.8
583.37537	0.6
739.52997	0.6
965.68896	100.0
966.69208	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21655	0.5
71.71740	0.9
80.96548	0.7
91.48966	0.4
96.96059	2.6
115.62307	0.5
125.04909	0.5
125.34815	0.4
142.70467	0.5
165.99863	0.4
248.07082	0.5
324.95267	0.5
349.44125	0.5
471.34818	93.4
472.35114	14.0
570.90338	0.6
631.45148	0.5
891.80365	0.5
965.68951	100.0
966.69220	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	966.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07454	2.0
69.55650	1.7
71.01394	3.3
73.05525	1.9
83.47034	1.7
87.00907	1.9
96.44303	1.7
100.69581	1.7
116.92841	3.9
125.02487	1.8
167.58046	1.8
201.11290	2.9
209.11827	7.7
210.12413	2.1
219.15436	1.9
277.21738	2.8
397.13315	2.3
437.30270	2.4
439.32193	15.3
471.35007	2.6
483.31174	100.0
966.69092	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	967.634
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.1
83.78971	0.1
104.99164	0.1
180.00316	0.1
209.11871	0.2
210.12323	0.1
230.31209	0.1
231.86653	0.1
293.21332	0.2
295.20773	0.5
342.48566	0.1
363.26910	0.7
391.30127	1.8
392.30420	0.2
397.13412	0.3
407.29669	2.0
408.29868	0.3
409.31125	13.8
410.31384	2.2
419.29565	0.5
437.30652	0.5
438.30969	0.2
453.30096	100.0
454.30426	16.3
504.44333	0.1
513.32196	28.7
514.32513	5.1
558.12738	0.1
826.41272	0.1
834.41040	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	964.6687
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	1.6
88.98804	0.1
98.19841	0.2
152.99593	0.3
168.04340	0.3
171.25453	0.1
178.01607	0.1
209.11995	0.1
224.06903	0.7
242.08011	0.2
255.23293	9.0
256.23642	0.5
277.21786	0.1
278.22043	0.1
451.32004	0.2
469.33221	100.0
470.33563	15.0
471.33734	0.1
480.30951	14.6
481.24356	0.1
481.31339	1.7
875.56970	0.1
905.59644	0.4
906.60425	0.1
964.67096	1.7
965.67804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40520	0.4
69.81104	2.5
71.01389	19.8
72.01736	0.5
72.99329	2.5
73.02950	1.4
73.25356	0.4
73.58057	0.3
75.00882	0.6
83.01392	1.6
85.02959	7.5
87.00908	1.7
87.04540	0.3
88.98817	1.0
89.02455	22.1
95.01423	1.8
98.20564	0.4
101.02461	15.0
103.04025	0.8
111.00917	0.6
113.02472	7.5
119.03526	7.4
121.06541	0.4
125.98654	0.3
131.03525	5.9
135.04533	0.4
143.03482	1.6
149.04555	0.7
161.02480	0.8
161.04547	1.0
177.03502	0.4
179.05644	2.9
219.13817	0.4
263.90710	0.4
445.23514	0.5
471.34808	2.6
472.35083	0.5
603.38971	0.8
749.45239	4.6
750.45575	1.1
849.74231	0.5
929.51459	44.1
930.51624	13.3
965.49261	100.0
966.49493	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.3
71.01389	19.5
71.71364	1.1
72.99311	2.7
73.02959	11.3
75.00871	1.9
83.01400	4.2
85.02957	25.4
85.39409	0.7
87.00892	5.7
87.04499	0.9
88.98875	0.6
89.02460	5.2
95.01409	1.5
97.02971	1.9
99.00888	3.3
99.04533	2.1
101.02460	16.8
109.02975	1.1
111.00886	1.7
113.02463	7.7
125.02437	2.5
127.04014	4.3
129.01936	1.7
131.03500	2.8
134.09859	0.6
135.03040	0.9
137.02432	0.9
142.06673	1.3
143.03493	2.7
145.02995	0.7
145.05058	2.0
159.03024	1.0
161.02448	1.6
161.04591	2.4
163.56427	0.7
165.05551	0.9
171.10292	1.2
175.02512	1.2
179.05666	1.1
201.11327	0.8
205.07121	1.0
209.11879	3.3
211.13374	1.3
247.08269	2.6
254.31863	0.8
255.03198	0.8
288.41095	0.8
291.10730	1.3
300.02808	1.9
331.02582	0.8
341.23343	1.4
349.50092	0.8
479.85400	0.8
541.91486	0.8
579.13330	0.8
721.18872	1.0
927.53241	60.5
928.53571	18.2
963.51062	100.0
964.51440	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	964.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	29.2
71.72197	12.8
87.00892	8.4
89.02444	31.7
95.01409	12.3
101.02448	30.1
113.02452	10.0
115.65775	8.5
119.03589	7.5
119.08684	9.2
125.02435	15.8
135.08183	16.3
171.10301	20.6
183.14043	10.8
211.13397	100.0
212.13768	66.9
213.13953	20.6
243.43816	8.2
277.21686	85.9
278.22061	37.9
279.22348	10.0
289.18176	16.8
301.65390	7.8
307.19125	12.3
330.32693	8.5
339.24112	9.0
379.12463	13.1
381.13181	10.4
397.13446	57.9
398.13718	20.4
399.14130	20.7
416.14911	9.8
506.25012	8.7
710.41669	8.2
947.53918	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	963.477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	0.6
69.62395	4.0
71.01392	20.1
72.99319	2.3
73.02954	7.1
75.00875	1.3
77.21550	0.4
83.01386	4.7
83.05040	0.5
84.31433	0.5
85.02962	17.7
87.00869	3.4
89.02463	7.3
95.01385	2.0
95.97957	0.5
97.02970	1.1
99.00902	2.4
99.04507	1.3
101.02457	17.9
109.03014	0.8
111.00889	1.4
113.02475	8.8
115.04002	0.6
119.03480	1.9
125.02441	1.6
126.36971	0.4
127.03986	1.5
129.01979	0.7
129.27788	0.5
131.03519	8.9
133.02977	0.7
134.03732	0.6
143.03464	1.4
145.05063	1.1
161.02457	0.9
161.04514	1.8
163.06165	0.6
165.05571	0.8
175.02501	0.9
177.01794	0.5
179.05487	0.5
179.80397	0.5
194.67836	0.5
205.07051	0.5
209.11815	2.3
211.13429	0.9
213.15062	0.5
216.20126	0.5
225.14969	0.6
227.12775	0.5
247.08113	0.5
271.02460	0.7
278.54504	0.5
279.07718	1.1
293.09024	0.8
306.07492	0.5
307.61768	0.5
321.08813	1.7
341.23483	0.7
343.01309	0.5
572.36261	0.6
579.13397	1.0
581.75970	0.6
765.44989	4.5
766.44464	0.8
781.44995	1.1
927.50781	67.9
928.51093	16.3
931.30383	0.9
963.48822	100.0
964.48969	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	961.6586
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71060	0.4
78.91911	1.4
107.32584	0.4
112.98857	0.6
118.79993	0.4
120.96389	0.4
170.23338	0.5
176.53601	0.4
209.11909	0.5
251.18315	0.4
469.33249	90.6
470.33588	16.4
470.40244	0.9
634.78430	0.5
961.65851	100.0
962.66113	33.2
962.86462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	100.0
71.71661	19.8
72.99330	21.1
73.02986	26.4
83.01402	15.1
84.38892	10.6
85.02968	52.0
87.00873	19.4
88.98816	30.1
89.02472	47.2
95.01357	11.9
99.00942	17.4
100.81790	11.7
101.02466	56.2
113.02475	53.1
114.77232	12.6
115.00414	15.2
119.03557	12.3
119.05029	17.3
123.79073	11.7
125.02486	39.7
127.00381	16.3
133.02969	27.8
135.04562	26.1
137.02501	17.8
139.00368	18.3
139.11821	10.8
145.02979	14.1
147.04495	11.9
150.03322	14.4
159.73817	13.1
161.02483	89.3
165.05551	19.1
179.03540	38.6
209.11877	31.7
210.12146	14.3
219.13928	12.6
223.06114	12.0
311.50903	11.9
321.08679	12.3
501.82132	11.3
530.01019	12.6
781.36475	14.8
927.51080	15.7
930.34332	12.8
962.53516	37.5
963.49249	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.542
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.3
69.03459	1.4
69.26275	0.2
71.01389	17.3
71.29598	0.6
72.99320	1.7
73.02952	2.7
75.00884	0.5
81.03474	0.8
83.01389	2.1
83.05027	0.5
83.72348	0.2
85.02966	4.8
86.00113	0.3
87.00888	4.7
87.04515	0.2
89.02458	13.9
90.02774	0.4
95.01419	1.3
95.68594	0.2
96.96032	0.4
97.02968	3.1
99.00897	1.0
101.02461	13.7
102.02827	0.3
110.09868	0.2
111.00915	0.5
111.04575	0.6
111.08204	0.2
113.02464	8.4
119.03520	3.8
121.02993	0.3
121.79882	0.2
123.00913	0.3
124.01686	0.4
125.02459	6.4
131.03529	0.6
133.05066	0.4
139.04022	0.7
141.01949	0.4
143.03510	2.5
144.21562	0.2
149.04524	0.3
161.04591	3.9
165.08441	0.2
165.12839	0.3
167.03493	0.6
167.10785	0.5
167.14406	0.7
169.05052	0.3
179.05627	4.0
183.13911	7.0
184.14218	0.3
193.12361	2.4
211.13406	100.0
212.13751	5.7
213.34813	0.2
217.07155	1.0
221.06641	1.6
222.07353	0.3
235.06006	0.4
235.08231	5.5
253.09303	0.6
259.08231	1.0
259.20364	0.3
263.07761	0.4
275.20285	0.3
277.21722	61.5
278.22046	5.6
287.07715	1.9
291.23380	0.5
301.09082	0.4
305.08734	2.0
319.22684	0.5
323.09729	1.4
341.10889	0.4
379.12463	15.9
380.12708	1.5
397.13535	44.0
398.13925	3.2
415.14603	7.6
416.14902	0.5
495.29861	0.3
529.70117	0.3
565.30206	0.3
591.26648	10.9
592.27124	1.6
609.27698	6.8
610.28198	0.9
657.34888	3.3
658.35748	0.7
675.36200	6.3
676.35938	1.1
869.49298	2.9
870.49176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88373	12.5
69.88784	6.5
71.01395	18.9
73.02945	13.9
73.31744	2.9
85.02966	39.2
86.03297	5.0
87.00900	4.7
89.02460	4.9
101.02462	17.3
106.94991	2.6
113.02450	3.1
127.04002	3.2
131.03531	6.7
143.03531	5.0
292.82217	3.0
312.18832	3.1
312.33929	3.2
348.77832	3.5
662.56458	3.5
897.53143	4.6
898.52313	8.8
899.36353	4.4
899.53125	55.1
900.53503	100.0
901.53680	12.5
960.52228	30.0
961.51953	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	961.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.0
71.01385	15.4
71.71874	0.3
72.99314	1.4
73.02959	2.1
75.00876	0.3
81.03458	0.8
83.01391	1.4
83.05048	0.6
85.02954	3.6
87.00883	3.9
89.02454	12.6
90.10751	0.2
91.04000	0.3
95.01389	1.3
97.02961	2.3
99.00891	0.7
99.04561	0.3
101.02454	11.9
109.02945	0.3
111.04546	0.4
113.02464	6.9
115.04028	0.3
119.03504	3.5
121.02956	0.3
123.00895	0.3
124.01683	0.5
125.02465	5.6
127.03998	0.2
131.03523	0.5
133.05107	0.3
136.89212	0.3
137.02399	0.4
139.03938	0.5
140.93031	0.2
141.01913	0.4
143.03510	1.9
149.04623	0.4
151.04083	0.2
155.10719	0.3
161.04572	3.5
167.03668	0.2
167.10808	0.5
167.14421	0.5
171.81711	0.2
179.05634	3.3
180.05937	0.3
181.12250	0.3
183.13904	6.3
184.14255	0.4
193.12349	1.9
199.06064	0.5
211.13403	100.0
212.13751	6.0
217.07164	0.7
219.05086	0.2
221.06712	1.2
221.08588	0.2
235.08226	4.2
240.04794	0.2
245.06667	0.3
253.09264	0.6
253.14400	0.4
259.08206	1.0
263.07730	0.3
275.20346	0.2
277.21719	47.8
278.19241	0.4
278.22086	4.7
287.07797	1.6
291.23157	0.3
301.09335	0.5
301.66406	0.2
305.08774	1.9
323.09775	1.3
327.21716	0.3
341.10913	0.4
353.01819	0.2
361.11191	0.4
379.12466	12.5
380.12839	0.9
397.13525	34.8
398.13882	2.5
415.14569	6.4
415.19525	0.4
416.14810	0.4
429.21204	0.4
460.08124	0.2
499.22183	0.3
591.26599	11.5
592.26880	2.0
609.27765	11.2
610.27991	1.4
657.35144	3.0
658.35559	0.5
675.36200	3.6
676.36798	0.6
869.49188	2.9
869.62030	0.2
870.49579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22244	11.2
71.01397	15.2
72.01716	3.2
73.02941	12.0
75.00880	2.2
83.01417	4.5
85.02956	33.3
86.03293	5.9
87.00902	5.9
88.02525	2.1
89.02462	6.4
91.16778	2.0
94.82394	2.4
101.02459	13.4
103.04034	2.2
113.02448	3.7
127.03988	2.8
131.03513	8.3
209.11884	2.9
211.13370	4.2
223.13373	2.5
235.92363	1.9
311.81055	1.9
341.12790	2.3
475.36899	2.7
711.63824	2.3
731.48816	2.2
898.52881	9.1
899.52997	56.4
900.53339	100.0
901.53204	8.2
960.52026	29.2
961.52014	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	960.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	36.2
71.71001	6.7
72.01736	4.1
72.99307	6.1
73.02946	18.6
85.02967	66.3
86.03297	10.1
87.00887	9.6
87.04515	3.1
89.02460	11.1
95.01397	4.2
96.00925	6.3
97.02918	5.0
101.02458	16.3
102.02847	4.0
111.02020	3.7
113.02444	7.6
113.07235	7.6
115.04000	3.5
116.92862	3.5
119.03541	4.2
125.02449	4.2
127.04070	7.4
130.06175	3.2
131.03523	10.5
149.03647	3.4
156.07784	3.2
161.16869	3.9
166.06212	7.1
175.02310	4.3
183.50002	3.2
186.12505	3.1
198.55067	3.6
207.21271	3.2
209.11812	31.2
211.79858	3.2
227.12857	8.1
253.09312	5.0
278.43784	3.3
291.19604	5.2
293.21121	19.6
368.04279	3.4
473.32672	58.6
474.33209	19.4
485.33029	16.1
486.33133	10.8
487.30539	13.0
501.32031	9.3
622.83258	3.9
772.42535	7.0
773.42590	16.8
774.43213	17.0
893.89032	3.7
898.53430	6.0
899.53204	41.6
900.53271	100.0
901.54144	6.8
960.52301	60.8
961.51727	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	958.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	6.0
69.99487	3.5
70.74855	7.1
70.75237	6.7
71.01395	54.9
72.01723	7.0
72.99330	7.5
73.02956	27.5
83.01408	17.6
85.02966	30.8
89.02454	13.3
95.01392	5.8
99.00880	4.1
101.02470	42.9
102.02768	6.2
103.03978	4.0
113.02457	15.4
125.02414	3.6
131.03506	13.6
143.03474	9.6
144.03848	3.8
161.04512	5.1
278.47290	3.6
534.63129	3.7
605.39050	4.0
795.45367	9.2
796.45483	24.7
896.50238	7.8
897.51654	37.1
898.51855	100.0
899.52020	13.4
958.51337	53.8
959.52179	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	958.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	34.8
71.13017	49.8
71.13371	31.3
75.00900	35.3
80.96514	30.1
88.98830	58.2
89.02467	39.5
149.69571	23.1
150.58513	30.1
192.49530	26.1
195.82770	25.8
209.11876	100.0
210.12178	36.7
255.23326	40.2
276.63147	24.6
321.25754	28.3
397.13901	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	959.5263
Annotation	Cephalostatin 13
Peak:m/z	Relative Intensity
67.01882	0.2
68.99812	0.4
69.03443	1.1
71.01389	77.7
71.05007	0.2
72.01723	1.6
72.99318	7.1
73.02954	12.3
74.03280	0.3
75.00880	0.9
81.03474	0.5
83.01395	8.1
83.05025	0.3
84.02175	0.5
85.02961	30.5
85.78068	0.2
86.00116	0.9
86.03312	0.6
87.00888	5.3
87.04531	1.4
88.98819	0.5
89.02457	46.2
90.02792	0.9
91.64419	0.2
93.85232	0.2
95.01397	6.7
97.02966	1.5
99.00899	5.6
99.04530	0.5
101.02460	45.4
102.02771	0.5
103.04034	1.9
111.00903	0.9
112.01644	0.3
113.02470	31.0
114.02812	0.7
114.78356	0.2
115.04047	0.8
119.03523	13.8
125.02475	1.7
127.04082	0.4
129.01941	0.9
131.03531	3.3
133.02936	0.4
134.03763	0.4
135.04506	0.3
142.06627	0.3
143.03516	4.7
145.02963	0.6
145.05092	0.7
149.02499	0.3
149.04567	1.3
150.03229	0.5
159.03038	2.0
160.01660	0.3
161.02412	0.9
161.04579	7.1
163.04047	0.5
163.06116	0.4
165.05615	0.5
175.02463	0.3
177.01971	0.2
179.05649	7.5
189.79887	0.3
195.06624	0.4
204.06737	0.4
205.03526	0.4
205.05360	0.2
205.07181	0.9
209.11865	0.4
227.13138	0.3
230.12683	0.3
237.74187	0.2
343.11780	0.2
357.14252	0.2
360.86478	0.2
383.29593	0.7
400.71494	0.3
401.30664	0.3
471.34805	4.7
472.35162	0.8
525.35712	0.3
633.40094	2.1
701.31274	0.2
779.46143	24.7
780.46368	5.3
797.47021	1.2
813.46509	3.0
814.46448	0.6
959.52576	100.0
960.52881	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	957.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35500	0.1
68.97542	0.1
76.81766	0.1
78.15961	0.1
83.09893	0.1
90.45880	0.1
97.17717	0.1
99.55177	0.1
103.00404	0.1
155.68617	0.1
230.93742	0.1
339.27170	0.2
405.32205	0.1
407.33127	0.8
408.33081	0.1
412.13699	0.1
423.32709	8.4
424.33133	1.5
425.30518	0.3
426.30896	0.3
427.31088	0.1
439.32120	0.2
467.31769	0.3
469.29562	2.2
470.29938	1.2
470.73236	0.1
471.34830	41.9
472.35172	7.0
483.31171	1.0
484.31464	1.5
485.32678	100.0
486.33026	17.7
487.33792	1.7
488.34372	0.3
605.49475	0.1
845.76660	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	958.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85938	3.0
70.86311	2.5
71.01392	17.7
72.01722	3.7
72.99320	2.5
73.02955	11.7
74.03333	1.4
75.00895	1.9
83.01401	2.8
83.82086	1.4
85.02964	33.8
85.18496	1.2
86.00101	1.5
86.03313	7.6
87.00882	4.9
87.03379	1.4
87.04547	1.8
89.02446	4.0
95.01441	1.7
97.02992	2.4
99.00887	1.4
99.04510	2.3
101.02462	18.5
102.02791	2.1
102.69908	1.2
103.02860	1.9
103.04031	3.2
109.03001	1.4
113.02480	1.8
115.03991	1.4
127.04044	3.1
128.04341	1.3
131.03528	8.6
132.03870	2.6
133.03903	1.6
143.03519	1.8
145.05089	1.4
145.16281	1.4
161.02437	4.8
163.06242	1.6
240.72021	1.2
341.33453	1.3
392.10852	1.3
565.45874	1.5
751.45734	3.3
752.45709	3.8
895.51355	1.6
896.51147	8.0
897.51361	43.9
898.51929	100.0
899.53131	6.7
899.68878	1.6
916.51526	1.8
958.49890	2.5
959.50146	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	957.6859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41882	0.7
95.21613	0.1
116.92873	0.2
126.90398	0.1
144.43025	0.1
172.15189	0.1
247.77655	0.1
255.23410	0.1
351.74356	0.1
397.13095	0.1
423.32739	7.8
424.33084	1.6
425.33392	0.1
439.32193	0.3
467.31467	0.1
469.33350	0.1
471.35406	1.4
472.34940	0.2
483.31046	0.1
485.32712	100.0
486.33060	19.6
487.33359	1.9
488.33844	0.1
794.81750	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	957.6867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53824	0.5
71.01389	0.1
71.05016	0.1
75.82600	0.0
79.28025	0.0
83.05035	0.1
88.98827	0.1
89.02441	0.1
116.92908	0.1
118.22655	0.1
130.84869	0.1
140.56767	0.1
175.11325	0.2
189.12865	0.3
195.08650	0.1
209.11858	0.1
225.11455	0.1
277.21677	0.2
355.26477	0.7
356.26801	0.1
365.17902	0.1
377.28491	0.4
379.29965	0.4
393.31714	0.2
395.33344	0.1
397.13455	0.1
397.31128	0.1
407.33176	0.2
413.27200	0.1
413.34229	0.4
421.30786	0.1
423.28995	4.6
423.33188	1.8
424.28400	0.7
424.33438	0.3
425.30621	0.3
439.32172	11.4
440.32529	1.9
441.33762	3.7
442.34167	0.5
457.33115	0.2
459.35214	0.1
467.31589	0.4
469.29654	0.2
470.30112	0.2
471.34836	27.2
472.35156	4.7
483.31171	1.2
484.31540	0.4
485.32700	100.0
486.33051	16.4
487.33350	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	957.6537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	0.5
71.01385	0.2
71.71044	0.2
73.02963	0.9
74.19115	0.1
85.02950	0.2
87.70435	0.1
89.02413	0.2
97.58101	0.1
101.02439	0.2
113.98579	0.1
116.92873	0.1
119.00924	0.2
125.02491	0.1
130.32680	0.1
216.57391	0.2
224.22920	0.1
233.67381	0.1
284.90024	0.2
311.23880	0.2
325.25381	0.4
327.26874	0.9
328.27310	0.2
339.26898	0.3
347.86047	0.1
351.26810	0.2
395.33194	0.6
396.33844	0.2
397.31235	0.4
409.31625	0.1
421.31052	1.1
422.31744	0.2
423.28833	0.4
427.27991	0.5
427.32315	0.6
429.10684	0.2
439.32791	2.0
440.32477	0.3
441.28769	1.0
441.34393	13.5
442.34750	2.0
471.31573	43.2
472.31879	6.7
485.33356	100.0
486.33755	15.2
487.34039	0.3
501.32028	0.2
502.76035	0.1
587.00629	0.1
593.46460	0.2
729.37262	0.2
897.54254	0.3
898.53595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01914	1.0
69.03460	2.8
69.67417	2.2
69.67847	3.1
71.01391	55.6
72.01717	1.0
72.99319	6.7
73.02956	20.5
75.00887	2.8
81.03474	1.9
81.92516	0.6
83.01394	8.4
83.05033	1.2
85.02962	53.6
86.00113	1.9
86.03294	2.3
87.00885	14.8
87.04542	1.8
88.98820	1.2
89.02459	20.6
89.02998	1.3
95.01408	4.7
97.02977	4.7
98.19874	1.0
99.00887	4.5
99.04537	2.3
101.02463	45.4
101.31569	0.6
102.02777	1.2
103.04017	4.0
109.02969	1.7
111.00910	1.5
113.02472	22.6
115.00378	1.1
115.04047	2.4
116.92863	1.2
117.03502	1.9
119.03536	8.1
119.05023	3.8
121.02982	0.9
123.08186	3.9
125.02460	5.0
127.04025	4.1
131.03532	20.2
132.03922	0.7
133.02951	1.1
134.03743	0.8
135.04539	0.8
137.02493	0.7
141.09320	0.8
143.03531	9.3
144.03893	0.7
145.02959	5.0
145.05077	1.9
147.04546	0.9
148.04103	0.6
150.03249	0.9
159.03000	2.0
161.02460	2.5
161.04576	16.6
163.04044	1.7
165.05534	3.6
174.01802	1.3
175.02440	1.2
179.05644	6.1
190.02762	1.1
205.05240	1.0
205.07162	1.7
209.11871	3.1
209.15466	0.9
211.13458	2.4
221.06668	15.4
222.07042	1.1
225.11368	0.9
231.08734	1.4
247.08157	2.2
263.07736	5.1
291.10785	0.7
294.69916	0.9
313.21814	0.9
315.23480	1.0
323.09863	13.7
324.10254	1.3
331.26398	4.3
345.24380	2.0
351.13049	1.4
352.13098	0.8
366.76953	0.8
383.11966	40.8
384.12390	3.7
463.30496	2.3
469.33453	0.7
471.34836	100.0
472.35162	18.4
485.15137	27.0
486.15533	3.4
533.30463	0.8
567.95605	0.8
609.36298	3.2
621.33545	0.9
633.38800	3.1
639.33905	0.9
675.41040	0.9
718.43951	0.7
751.47345	1.3
755.42542	70.9
756.43018	15.6
756.55933	1.2
795.45435	9.2
796.45935	3.0
811.44824	1.1
815.40906	3.2
816.40668	1.0
821.47266	4.4
837.46838	1.4
861.49377	1.5
879.52075	3.2
880.51965	1.4
897.34662	1.6
897.52484	39.3
898.52850	13.8
957.50745	52.3
958.51270	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	957.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03487	1.2
71.01395	20.8
72.99308	3.0
73.02962	5.7
83.01380	5.0
83.05006	1.1
85.02962	15.9
86.00086	1.7
87.00884	2.2
88.00246	1.0
88.98818	2.0
89.02454	9.0
95.01405	3.0
96.96026	4.3
97.02966	1.2
98.19917	2.4
99.00903	2.1
101.02459	23.6
103.04030	2.0
110.31557	1.1
111.00914	1.0
113.02475	8.5
116.92864	1.2
119.03511	2.6
120.90614	1.1
125.02450	1.4
131.03529	12.2
131.21127	0.9
143.03468	1.2
154.06284	1.2
161.04582	1.3
200.00719	1.1
331.26483	18.8
332.26685	2.4
463.30704	2.2
469.29416	2.1
471.31183	28.4
472.31488	3.7
485.33023	17.0
486.32742	3.7
487.30493	10.5
724.72681	1.3
735.47107	23.6
736.47284	5.8
751.46906	1.8
897.52533	100.0
898.52948	34.6
956.33704	1.2
957.55933	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	957.548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01906	0.7
68.99818	1.2
69.03457	4.1
71.01389	77.6
71.05032	0.5
71.70606	0.4
71.70930	0.4
72.01734	1.6
72.99314	10.4
73.02954	16.3
75.00883	1.6
81.03473	1.3
83.01398	27.7
83.05040	0.5
84.01749	0.6
84.02197	1.0
85.02962	52.6
86.00120	1.0
86.03304	1.3
87.00884	11.3
87.04540	1.7
88.84810	0.3
88.98823	0.7
89.02459	37.4
90.02802	0.5
93.03476	0.4
94.52226	0.3
95.01406	11.7
95.05011	0.4
96.01758	0.3
97.02966	8.4
97.03561	0.6
97.06609	0.7
99.00898	7.7
99.04531	1.8
101.02462	56.6
102.02806	1.3
103.04029	5.7
104.25546	0.3
107.01481	0.3
108.02183	0.3
109.02962	1.5
111.00907	1.2
112.01666	0.7
113.02471	39.7
114.02811	1.4
115.04041	2.6
117.03481	0.7
119.03525	10.1
119.05013	0.9
120.03845	0.3
121.02972	0.4
123.08170	0.5
125.02470	13.0
126.02824	0.4
127.04045	3.2
129.01978	0.7
131.03534	9.6
132.03815	0.3
133.02980	0.6
134.03709	0.3
135.04498	0.4
137.02478	0.9
141.09207	0.7
143.03525	25.8
144.03874	1.2
145.02951	1.8
145.05095	1.1
149.04564	0.5
159.03064	0.8
161.02591	2.4
161.04581	16.0
162.04932	0.5
163.04008	0.5
163.06172	1.7
163.07484	0.4
167.03542	0.3
179.03476	0.5
179.03934	0.5
179.05656	5.2
205.07234	1.0
219.10252	0.3
223.43590	0.3
231.08766	0.6
236.71233	0.3
247.08270	1.1
275.07907	0.6
289.09192	1.6
297.22318	0.5
307.10187	0.4
331.26495	1.3
332.27054	0.4
391.30487	0.3
407.29105	0.3
421.30981	0.5
453.29904	0.7
455.31668	5.3
456.31906	0.6
463.30701	0.7
467.31967	2.1
468.31573	0.5
469.16095	0.4
485.32562	0.8
487.30429	1.2
487.34735	1.2
531.33380	1.2
557.35370	0.4
578.44318	0.3
583.36475	6.1
584.36841	1.7
609.36786	1.7
633.37878	0.5
649.39716	9.4
650.40009	1.9
755.42560	59.5
756.29065	0.6
756.42950	16.0
795.45618	64.1
796.45978	18.1
811.45093	22.2
812.45428	7.0
879.51270	1.5
880.52454	0.5
897.52515	4.3
898.53058	1.2
915.53381	0.8
957.51038	100.0
958.51355	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	957.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.8
69.87886	1.3
70.43554	0.2
70.48576	0.2
71.01389	24.8
71.05024	0.5
72.01719	0.3
72.99316	3.2
73.02956	14.4
73.20965	0.2
74.03293	0.4
75.00880	1.8
77.39568	0.2
79.21542	0.2
79.68591	0.2
81.03463	0.8
83.01400	2.1
83.05033	0.4
85.02962	49.7
86.00106	1.3
86.03297	1.1
87.00433	0.2
87.00889	8.8
87.04527	2.6
89.02459	12.0
90.02775	0.2
90.39274	0.2
91.26591	0.2
91.78922	0.2
94.84092	0.2
95.01382	1.2
95.05095	0.2
97.02978	2.2
98.20609	0.2
99.00914	1.1
99.04531	2.8
101.02460	16.2
102.02811	0.2
103.04022	3.4
107.78021	0.2
109.02967	1.0
111.00889	0.4
112.01591	0.2
113.02479	3.5
115.04030	3.0
119.03547	1.0
123.32773	0.2
125.02483	1.5
127.04023	4.3
129.01984	0.2
131.03526	9.3
143.03534	5.8
144.03818	0.2
145.05077	3.2
149.04561	0.9
149.05701	0.2
163.06131	1.5
163.07486	0.4
205.07184	2.9
207.27095	0.2
231.08748	2.4
232.09097	0.3
247.08202	1.8
268.29025	0.2
279.70840	0.2
291.10843	1.9
299.23996	0.5
313.21652	0.5
313.74564	0.2
315.23175	1.3
327.23257	0.8
347.22122	0.4
347.25940	4.4
348.26437	0.5
351.12988	1.1
361.24011	0.2
391.25006	0.4
404.20346	0.2
441.33817	0.7
479.30063	1.5
480.30515	0.3
485.32791	0.8
501.32196	1.2
605.40552	1.5
625.35846	1.3
733.46069	0.2
751.46912	2.2
752.46893	0.8
771.42047	26.9
772.42413	5.0
879.51428	2.5
880.51813	0.7
897.52496	100.0
898.52802	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	957.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	1.0
68.99818	1.9
69.03461	4.6
70.63011	0.8
71.01389	96.6
72.01720	1.3
72.99314	10.9
73.02956	18.5
73.99654	0.3
74.03312	0.2
74.06266	0.2
75.00895	1.2
81.03468	2.0
83.01398	37.8
83.05042	0.7
84.01729	0.6
84.02180	0.5
85.02962	54.3
86.00118	1.8
86.03313	1.5
87.00889	11.9
87.04516	1.1
88.98843	0.3
89.02457	44.1
90.02798	0.7
93.03443	0.3
95.01404	16.7
96.01704	0.3
97.02967	10.4
97.06602	0.5
99.00900	10.2
99.04559	1.0
101.02460	71.8
102.02785	1.0
103.04028	6.0
108.02209	0.3
109.02950	1.0
111.00882	1.1
111.04532	0.2
112.01690	0.9
113.02470	56.4
114.02796	1.5
115.04069	1.6
117.03500	0.3
119.03526	12.2
119.04939	0.6
121.02972	0.3
123.04553	0.3
123.08160	0.6
124.01700	0.3
125.02471	17.7
126.02807	0.5
127.04036	1.9
129.01956	1.1
131.03528	5.4
137.02499	0.6
139.00394	0.3
142.02759	0.5
143.03526	33.5
144.03860	1.0
145.02968	0.8
145.05066	1.3
148.84483	0.2
149.04594	1.3
159.03056	1.3
161.02443	0.6
161.04578	21.1
162.04903	0.8
163.04048	0.3
163.06137	1.9
165.05579	0.2
167.03539	0.3
179.05632	6.2
205.03572	0.4
205.07146	0.9
209.11841	0.2
247.08301	0.6
275.07715	0.7
289.09259	2.1
297.22253	0.5
307.10236	0.4
311.19971	0.2
313.21613	0.3
331.26523	0.3
350.07910	0.2
360.87103	0.2
393.31848	0.3
403.29700	0.3
405.28079	0.5
421.31116	0.4
439.32047	0.5
453.30133	1.0
455.31659	7.5
456.31940	1.4
463.30606	0.2
467.31702	3.0
468.31772	0.5
485.32791	0.8
487.30093	1.3
487.34396	2.0
488.34967	0.4
499.30576	0.5
531.33301	2.2
532.33112	0.4
557.35181	0.7
583.36407	8.2
584.36902	1.4
595.36243	0.2
609.36841	0.5
633.16919	0.3
633.38092	0.3
649.39667	12.9
650.39685	2.4
755.42566	19.5
756.42920	4.5
795.45648	82.0
796.46033	20.4
811.45087	32.0
812.45422	8.5
879.53107	0.4
880.52069	0.3
897.52368	2.2
898.52557	0.5
957.51044	100.0
958.51349	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.9
68.99812	1.7
69.03456	5.4
71.01386	90.8
71.05017	0.2
72.01720	1.4
72.99313	11.1
73.02951	22.4
73.11864	0.1
74.03300	0.3
75.00882	1.0
81.03468	1.5
83.01395	43.2
83.05040	0.7
84.01716	1.1
84.02195	0.6
85.02959	53.4
86.00103	4.4
86.03292	1.4
87.00886	9.1
87.04528	1.1
88.01206	0.2
88.98823	0.5
89.02454	28.9
90.02779	0.4
93.03461	0.2
95.01398	14.3
96.01735	0.4
97.02964	13.4
98.03309	0.2
99.00896	11.2
99.04495	0.9
101.02456	71.0
102.02805	1.6
103.04025	7.4
104.04357	0.2
107.01421	0.2
108.02193	0.5
109.02977	0.9
111.00902	1.3
111.04540	0.2
112.01685	3.3
113.02465	50.9
114.02794	1.1
115.04025	1.9
117.99367	0.2
119.03516	7.3
121.02982	0.2
124.01696	0.5
125.02465	16.5
126.02832	0.4
127.04040	1.4
129.01955	0.9
131.03523	2.6
134.03613	0.2
137.02483	0.7
139.00391	0.5
142.02725	0.6
142.06544	0.2
143.03522	27.3
144.03836	0.7
145.03003	0.3
145.05066	0.8
149.02344	0.2
149.04567	0.3
155.03532	0.3
159.02969	1.3
161.04576	25.9
162.04901	0.6
163.04070	0.2
163.06142	1.5
165.05624	0.2
167.03426	0.3
175.04025	0.3
179.05643	3.2
205.03552	0.3
205.07195	0.4
211.13498	0.2
233.06789	0.3
235.08040	0.2
289.09293	2.3
307.10431	0.2
381.28287	0.2
385.53625	0.2
411.28775	0.3
429.30142	0.9
457.33063	0.2
471.34702	0.7
485.32907	0.8
487.34772	0.2
529.35345	0.7
557.34674	0.6
583.36444	1.8
584.36127	0.3
609.36639	0.5
610.36694	1.1
611.37445	0.9
613.38043	0.2
629.25470	0.2
649.39606	8.8
650.39948	1.7
795.45605	100.0
796.45953	21.5
811.45001	6.4
812.45538	1.5
877.56451	0.2
896.51465	0.3
897.51465	0.8
957.50983	86.6
958.51312	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	956.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40495	0.5
71.01392	0.7
71.05822	0.6
71.06161	1.0
72.99315	0.5
81.08337	0.5
82.02981	2.4
94.03001	22.4
95.05067	0.4
96.04572	1.3
97.87319	0.4
101.02454	0.5
105.05878	0.7
107.03820	0.4
108.04581	1.0
110.06122	3.4
113.02462	0.5
116.05097	1.8
120.08215	17.3
121.05326	0.7
121.08531	1.1
122.06145	7.4
124.04094	0.6
125.02489	0.4
128.05116	0.5
130.06657	0.9
133.02972	0.6
135.04549	0.9
136.04025	0.4
137.04813	0.7
138.05643	11.4
139.05920	0.4
142.06653	45.5
143.07001	3.5
144.04584	2.5
144.08243	0.5
145.02968	0.5
150.05603	1.3
152.07213	1.0
158.06145	5.7
159.06480	0.5
160.01627	0.6
160.04010	0.4
161.02435	1.4
161.04698	0.5
162.05623	1.4
164.07187	2.3
172.04048	0.6
174.05679	2.3
176.25246	0.4
186.05630	16.3
187.05951	1.1
187.89322	0.4
188.03514	1.2
203.05901	2.7
204.06676	27.4
205.06960	2.0
215.11874	2.0
217.13596	0.7
223.08725	0.9
225.13910	0.6
236.09554	1.4
237.10448	2.0
238.10956	0.6
239.11897	1.3
246.07718	16.4
247.08052	2.1
249.10361	1.1
249.13986	0.6
250.07471	0.9
250.10977	1.0
251.11896	11.3
252.12427	1.5
253.09856	1.0
257.13007	1.0
261.12469	1.3
263.08298	1.8
263.11890	1.9
264.09122	1.9
264.12241	0.4
265.09760	1.3
265.13416	3.3
266.10608	0.9
266.14035	0.7
267.07562	0.6
267.11411	0.5
268.08582	1.1
276.08945	1.4
277.09839	9.2
278.10538	4.5
279.11182	1.9
280.12134	0.6
281.09357	0.9
282.09991	1.2
283.10855	1.7
284.11591	0.7
285.12616	0.6
291.11441	10.3
292.09067	0.8
292.12164	10.0
293.12936	12.7
294.13516	1.8
295.10867	0.5
300.02585	0.6
303.13562	1.4
311.10471	0.7
312.11157	1.0
313.12079	0.9
319.10748	0.7
324.11142	2.2
325.12039	2.2
325.15482	0.6
335.10428	4.6
336.11203	5.1
337.11877	4.5
338.12411	0.6
343.12973	1.2
344.17722	0.6
346.15594	1.6
358.15436	0.9
360.17294	3.4
362.18756	0.5
372.13367	0.6
372.17310	3.8
373.17734	0.9
374.14777	0.9
374.18900	1.7
387.15799	0.6
388.16672	1.9
389.17487	0.6
390.18079	2.3
400.16562	0.6
402.18399	2.9
403.19131	0.6
404.15686	0.6
406.17682	1.9
414.18372	5.4
415.19031	2.3
418.17850	5.6
419.18039	1.1
421.16400	0.7
432.19531	2.7
433.19919	1.0
436.18927	1.7
441.16660	0.6
447.17935	1.1
457.22348	0.6
458.17157	1.3
459.18060	4.4
460.18448	0.7
469.22629	0.8
476.18124	5.3
477.19049	6.2
478.19513	1.0
490.20059	0.7
496.21304	0.6
499.23676	0.7
508.20850	10.4
509.21225	2.3
511.23672	1.7
529.24658	1.6
553.24298	0.7
555.22656	0.8
561.75836	0.5
573.23584	5.7
574.23334	1.0
579.13690	1.2
587.25372	0.7
588.25104	0.5
589.27008	0.8
605.26215	48.2
606.17358	0.8
606.26575	10.4
615.24701	4.6
616.24872	1.2
633.25848	16.5
634.26172	4.3
647.27417	17.5
648.27600	4.5
665.28448	100.0
666.28766	25.8
666.40344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.6709
Annotation	Unknow
Peak:m/z	Relative Intensity
95.24274	0.1
116.92877	0.2
138.54781	0.1
150.55237	0.1
163.32082	0.1
182.83289	0.1
183.01282	0.1
311.16547	0.1
317.54364	0.1
423.32730	7.1
424.33102	1.1
439.32202	0.3
469.33267	3.8
470.33646	0.5
485.32715	100.0
486.33072	14.9
731.25287	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	955.7074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29765	0.1
67.93890	0.1
70.47102	0.2
70.47498	0.2
72.79680	0.1
73.44815	0.1
97.06644	0.1
116.92860	0.1
138.22025	0.1
184.94759	0.1
405.31754	0.2
407.33148	0.1
423.32678	4.3
424.33197	0.6
437.30621	0.1
453.33694	0.4
455.35324	17.7
456.35687	2.7
499.34262	100.0
500.34610	16.4
516.54846	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	956.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.7
72.99307	0.7
75.00891	0.6
82.03003	1.5
85.02935	0.9
89.02468	0.6
94.02996	22.2
95.03304	0.4
95.05058	0.4
96.04557	1.7
101.02422	0.7
105.05844	0.7
106.06609	0.3
108.04587	1.6
110.06139	3.2
111.00898	0.4
113.02444	1.0
116.05070	1.7
120.08213	17.5
121.05373	0.5
121.08533	1.1
122.06134	5.9
124.04027	0.5
125.02460	0.4
130.06625	1.0
133.02921	0.3
134.06113	0.7
135.04520	0.7
136.04037	0.9
137.04890	0.7
138.05627	10.0
142.06645	34.3
143.06995	2.3
144.04591	2.0
147.04539	0.4
150.03287	0.4
150.05635	0.8
152.07144	1.1
158.06143	4.0
160.04042	0.6
161.02429	0.8
162.05621	0.9
164.07204	1.8
165.05566	0.6
172.04007	0.5
174.05598	2.6
179.03639	0.4
186.05612	12.5
187.05992	0.6
187.51753	0.3
188.03555	1.2
199.08839	0.6
200.07109	0.4
203.05899	3.5
203.12869	1.4
204.06673	19.7
205.06987	1.2
213.10248	0.4
215.11887	2.3
217.13437	0.5
223.08690	1.0
223.62274	0.4
225.14056	0.5
227.11952	0.4
229.30948	0.4
236.09531	1.5
237.10315	2.3
238.10970	0.8
239.08199	0.7
239.11859	1.4
241.13489	0.5
245.13966	1.0
246.07700	12.1
247.08044	0.9
248.09447	0.5
249.06256	0.4
249.10350	1.2
249.13971	0.9
250.07455	0.5
250.10931	0.9
251.08022	0.6
251.11896	10.3
252.09605	0.3
252.12263	1.6
253.09784	0.7
253.13512	0.6
254.10402	0.4
255.11371	0.4
257.12888	0.6
259.10889	0.4
261.12524	1.0
262.07498	0.4
262.10928	0.4
263.08310	2.5
263.11768	2.6
264.08954	2.3
264.12445	0.7
265.09842	1.1
265.13428	2.8
266.10587	1.1
267.07315	1.0
267.11325	0.5
268.08447	0.9
269.09338	0.6
269.12759	0.5
276.09070	2.0
277.09814	11.5
278.10477	4.4
279.11362	2.1
280.12128	0.6
281.09286	1.0
281.12692	0.5
282.09958	0.8
283.10864	1.8
285.12372	0.9
290.10608	0.4
291.11401	14.9
292.12143	15.0
293.09488	0.4
293.12875	12.7
294.13449	1.9
295.10873	0.9
296.11636	0.8
300.02649	0.4
301.11938	0.6
303.13568	1.5
306.10013	0.4
309.08881	0.4
309.12305	0.4
310.09671	0.4
311.10242	0.8
311.13806	0.6
312.11163	0.4
313.11948	1.1
319.10669	0.5
323.10117	0.4
324.11145	2.8
325.11819	1.7
325.15381	0.7
326.12671	0.4
335.10394	8.1
336.11121	8.4
337.11871	5.3
338.12341	1.2
343.13110	1.0
344.13953	0.6
346.15671	1.6
347.16028	0.6
348.16995	0.7
356.13922	0.6
358.15659	0.8
360.17102	2.3
361.17752	0.5
362.18802	0.5
372.17331	3.0
373.17746	1.0
374.14590	0.6
374.18707	1.1
377.14478	3.1
386.15005	0.8
387.15381	0.6
388.16431	1.8
388.21021	0.4
389.17374	0.8
390.18134	1.8
391.18738	0.6
399.15756	0.5
400.16718	0.6
401.17212	0.4
402.18539	2.2
403.18820	0.7
404.16339	0.5
406.17609	1.6
412.16473	0.4
414.12714	0.6
414.18155	5.0
415.18790	1.9
418.17731	3.3
419.18024	0.7
431.18558	0.5
432.19540	3.2
433.19708	1.0
436.18732	0.7
441.16724	0.7
446.17258	1.0
447.18088	1.2
458.17340	2.5
459.17969	5.1
460.18661	0.9
464.21774	0.5
469.22290	0.4
476.18246	7.7
477.18948	6.6
478.19339	1.7
490.19696	1.6
491.20361	0.5
499.23541	0.6
508.20877	19.8
509.21072	4.5
511.23364	1.5
529.24585	1.1
555.22321	1.5
571.25525	0.7
573.23810	4.1
574.23792	0.9
587.25427	2.1
588.25781	0.5
589.26556	0.5
597.23615	1.1
603.24188	0.6
605.26184	32.5
606.26483	6.5
615.24731	6.3
616.24786	1.2
617.26123	0.6
629.26111	1.7
633.25775	20.4
634.26135	4.2
635.27496	1.2
647.27362	23.2
648.27692	6.3
665.28375	100.0
666.28729	24.2
667.28821	0.6
956.36707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.6714
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42666	0.2
73.02930	0.1
73.42472	0.1
97.06605	0.2
123.76852	0.1
164.70825	0.1
219.13956	0.2
233.15442	0.2
339.23386	0.4
353.25159	0.1
354.25668	0.4
363.54321	0.1
369.88922	0.1
386.24649	0.3
423.32733	8.8
424.33188	1.1
425.30655	0.2
439.32043	0.2
451.32230	0.6
452.32785	0.1
469.33298	44.8
470.33633	6.4
485.32693	100.0
486.33051	14.6
532.17975	0.1
636.97516	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	955.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44988	0.7
67.41471	0.7
71.01389	15.7
72.56977	0.8
72.99323	2.9
73.02959	2.1
75.22156	0.7
78.95921	1.3
81.03465	1.9
83.01403	2.7
83.05035	5.1
85.02982	4.0
87.00907	4.1
89.02452	16.1
95.05004	0.8
97.02969	2.4
99.00899	1.1
101.02453	13.7
113.02485	6.3
116.92876	2.1
119.03514	3.2
125.02445	5.2
131.03590	0.9
134.89432	0.9
137.29749	0.8
143.03560	2.0
161.04581	3.6
163.11339	3.3
165.05573	1.4
165.12874	1.7
179.05554	3.6
209.11838	100.0
210.12204	5.0
217.07271	1.0
221.06667	0.9
223.13432	2.7
227.12915	11.6
235.08308	4.5
255.23282	55.0
256.23657	3.6
259.08282	1.3
277.21802	2.8
287.07693	1.7
305.08823	1.4
323.09991	1.5
379.12463	15.8
380.12952	1.3
397.13522	40.9
398.13916	2.2
415.14703	6.3
589.24878	5.8
607.26123	3.5
610.05237	0.9
635.36633	3.2
636.36755	0.9
653.37738	7.5
685.30505	0.9
763.42395	6.3
764.43256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.3
68.99802	0.2
69.03461	3.0
71.01388	16.7
72.01714	0.3
72.02141	0.2
72.98923	0.2
72.99317	2.7
73.02954	13.5
74.03294	0.1
75.00878	0.3
81.03442	0.3
83.01396	3.2
83.05054	0.3
84.02182	0.2
85.02961	11.1
86.00097	1.5
87.00877	0.7
87.04535	1.0
89.02456	4.4
95.01376	0.2
96.49232	0.1
97.02942	0.4
99.00901	1.0
99.04520	0.4
101.02459	14.6
102.02810	0.2
103.03369	0.2
103.04027	3.3
109.02951	0.2
109.45571	0.1
111.00878	0.2
112.01662	0.4
113.02470	1.1
119.03525	0.9
119.79840	0.1
123.08167	1.1
127.04037	0.7
129.67436	0.1
131.03526	15.2
132.03854	0.3
145.05106	1.6
161.02422	0.1
163.06139	0.6
200.30449	0.1
229.83261	0.2
299.23712	0.2
313.21524	0.1
315.23199	0.3
317.24890	6.1
318.25259	0.7
327.23373	0.2
329.24829	0.2
341.24887	0.3
359.25806	0.7
371.25919	1.1
389.27032	2.1
390.27393	0.2
423.32883	0.9
431.27997	0.3
435.32697	0.3
449.28989	0.3
453.33658	0.7
471.34921	1.4
491.30280	0.2
515.33673	0.2
521.30945	0.2
524.74078	0.1
555.36938	0.2
597.24414	0.1
603.38928	2.9
604.39423	0.5
617.62756	0.1
647.37811	0.4
731.43878	0.5
749.45117	7.1
750.45551	1.5
793.43616	0.3
825.32483	0.2
895.50922	100.0
896.51227	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	955.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.4
67.69410	0.2
69.03457	1.8
69.37632	2.2
71.01388	17.4
71.05021	0.6
72.01731	0.6
72.99316	3.2
73.02952	10.4
73.03265	0.2
73.03385	0.2
73.19666	0.2
75.00883	1.1
76.34015	0.2
81.03477	1.4
83.01399	4.1
83.05042	0.5
84.02171	0.3
85.02959	33.5
86.00102	1.7
86.03297	1.2
87.00887	5.2
87.04520	1.4
88.68941	0.2
89.02451	5.0
95.01411	1.2
97.02951	1.9
98.19909	0.4
99.00896	1.5
99.04534	2.6
100.01238	0.2
101.02457	17.0
102.02786	0.6
103.04030	2.8
109.02973	1.3
111.00891	0.5
112.01677	0.6
113.02465	5.1
114.02773	0.8
115.04040	1.7
119.03535	1.4
125.02451	1.4
126.39658	0.2
127.04031	3.8
128.04364	0.2
131.03522	11.5
132.03819	0.6
133.03992	0.2
137.02432	0.3
138.02895	0.2
143.03506	2.9
145.03020	0.3
145.05075	1.6
150.68965	0.2
155.03513	0.7
161.04570	0.5
163.06171	1.2
180.60895	0.2
187.06174	0.3
205.07214	1.0
229.07140	0.2
231.08786	1.0
232.66931	0.2
247.08325	1.1
259.08221	0.6
260.08594	0.3
291.10864	0.6
315.23438	0.2
317.24820	0.7
371.25797	0.2
469.32745	0.3
603.39191	0.3
605.39600	0.3
731.43164	0.4
749.45056	4.1
750.45776	1.9
751.45801	3.2
752.46155	0.5
767.45892	0.2
893.50226	0.2
894.50604	1.3
895.50818	100.0
896.51190	30.6
912.50830	0.6
913.33417	0.4
913.51129	6.0
914.51581	1.1
936.70056	0.2
955.52539	1.1
956.50769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.4
69.03461	4.6
71.01386	28.2
71.05017	0.9
71.71081	0.4
72.01732	0.7
72.99314	5.5
73.02951	22.7
75.00884	2.0
81.03458	1.2
82.17438	0.3
83.01395	2.2
83.05055	0.4
85.02959	52.6
86.00097	3.5
86.03310	0.9
87.00884	17.8
87.04522	6.2
88.98847	0.5
89.02453	10.9
95.01394	3.6
97.02976	6.4
99.00899	1.3
99.04530	4.9
101.02457	22.7
101.10448	0.3
103.00384	0.4
103.04022	7.5
109.02984	0.4
111.00934	0.5
111.04530	0.6
113.02468	13.0
114.02843	0.3
115.04031	7.9
116.04271	0.3
116.92879	1.2
119.03528	3.7
119.05004	0.4
125.02485	5.3
127.04018	2.2
131.03523	13.8
133.02945	0.8
135.04504	0.5
143.03526	15.5
144.03819	0.6
145.02998	0.5
145.04005	0.6
145.05086	8.5
149.02390	0.4
150.03232	0.5
151.99434	0.3
159.03043	0.5
161.02458	1.3
161.04597	1.3
163.04063	0.6
163.06134	3.6
165.05592	0.5
179.03645	0.5
179.05560	0.5
189.04008	0.4
205.07188	7.1
209.11884	0.4
209.15506	0.7
231.08765	3.7
247.08168	0.6
291.10825	0.3
309.11954	0.6
309.63419	0.3
351.12961	12.7
352.13205	0.8
383.12061	1.0
463.30664	0.4
469.33334	2.3
485.15469	0.5
609.36578	4.3
610.37140	0.8
653.83539	0.4
895.50891	2.0
896.51489	0.6
913.51282	1.1
955.49518	100.0
956.49750	27.3
973.20667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	7.1
72.99339	1.4
73.02943	2.9
83.01387	1.9
85.02963	4.0
87.00885	2.0
88.98833	1.8
89.02438	2.5
93.03455	0.7
94.02992	0.6
94.06634	1.3
95.01427	0.9
95.05044	1.1
98.20619	2.1
99.00888	1.1
101.02470	3.7
101.95881	0.6
105.03473	0.8
107.03799	1.6
107.05025	0.8
109.02952	1.0
110.06123	2.6
111.00916	9.0
113.02449	3.3
116.92906	0.8
119.05022	1.2
120.04522	0.7
120.08224	11.4
121.05379	1.6
122.06145	25.6
122.07039	1.3
123.06485	0.8
125.02456	2.1
132.02205	3.4
133.02985	41.3
134.03857	3.7
134.06151	3.2
135.04555	20.0
136.07701	2.3
137.02435	2.5
142.06651	1.1
144.04533	1.7
145.02995	1.4
146.06137	1.0
148.07684	0.8
149.02490	1.3
149.06125	2.9
150.03210	1.9
160.01645	1.3
160.04041	0.8
161.02472	67.7
162.02873	2.8
162.05608	1.7
164.07216	1.4
165.05605	1.9
172.03990	0.6
174.05605	2.7
175.02596	0.8
175.04059	1.7
177.01936	1.3
177.05617	3.0
178.02657	0.8
179.03526	13.6
180.04106	0.9
181.05084	0.9
188.03539	1.8
190.02728	0.9
191.03510	1.0
195.06627	1.4
203.03522	2.2
203.05901	5.3
204.06619	1.7
205.05109	0.9
213.10504	0.7
215.11919	2.0
221.04535	1.6
223.08768	1.7
225.10214	1.3
227.11928	1.1
236.09595	1.9
237.10373	3.2
238.10974	0.8
239.08403	0.9
239.11986	1.4
241.13506	2.4
243.14906	1.1
243.47165	0.7
249.10358	2.0
250.11086	1.6
251.08131	1.0
251.11873	11.0
252.12405	1.5
253.09773	1.3
253.13617	1.1
262.07608	0.9
262.11066	1.4
263.08237	2.6
263.11911	3.3
264.09012	4.5
265.09747	2.6
265.13370	4.7
267.07666	0.9
267.11423	1.7
269.12918	2.0
275.08206	1.8
275.11914	1.0
276.08972	3.1
277.09824	13.4
277.12854	0.8
277.70004	0.7
278.10532	8.4
279.11237	3.8
280.12085	0.8
281.06741	1.5
281.09555	1.1
281.13068	0.9
282.09839	1.4
283.10873	2.0
285.12485	2.2
287.14053	3.2
289.09937	0.9
290.10641	2.7
291.11398	14.6
292.12170	11.3
293.09692	0.9
293.12927	20.6
294.10147	1.1
294.13504	2.5
295.10864	1.9
295.14340	1.0
296.11508	1.0
310.09497	2.1
312.11066	1.0
313.11835	1.9
317.09299	1.0
317.12854	1.2
318.10025	3.7
319.10779	5.5
324.11197	2.5
325.12039	3.2
327.13492	0.9
329.15115	1.2
335.10477	5.1
336.11206	6.2
337.11938	6.9
338.12466	0.9
341.08823	3.7
343.13068	2.2
344.13712	1.0
356.14108	1.0
357.14795	1.3
358.15573	5.0
359.16171	1.7
360.17102	1.9
361.11722	0.7
370.15778	0.9
371.12631	0.9
371.16714	1.0
372.13245	1.1
372.17325	6.6
373.17749	2.1
374.18631	2.1
384.13538	2.9
385.14230	1.3
386.14899	5.7
386.19388	0.9
387.15616	1.9
387.19812	1.3
388.16382	1.0
398.15067	2.3
399.15790	2.0
400.16666	5.6
401.17093	1.6
402.18311	1.2
404.16046	0.8
406.17813	0.7
412.16681	2.3
413.17593	1.8
414.18423	8.3
415.19070	5.7
416.19846	0.9
418.17825	4.1
419.18271	0.7
428.15863	1.0
432.19336	2.8
433.20166	1.1
434.17059	0.8
436.18658	1.5
440.16031	1.9
441.16949	4.9
442.17334	1.4
444.15381	1.5
446.17038	1.2
447.18018	1.7
456.20099	0.8
458.17310	5.8
459.18024	25.9
460.18561	6.7
473.19485	1.0
476.18204	5.7
477.19016	13.0
478.19583	2.3
483.24179	0.8
490.19931	3.3
491.20502	0.9
495.23969	2.4
501.18896	1.2
508.20953	3.8
537.24701	2.4
538.25702	0.9
541.24438	0.8
551.22839	2.3
555.26660	1.2
563.23224	4.5
564.23700	1.3
569.24292	0.8
581.24164	34.9
582.24530	7.1
596.18768	1.5
599.25177	65.3
600.25421	16.3
613.26959	9.1
614.26868	1.7
623.25134	4.9
624.26105	1.1
631.27887	100.0
632.28235	25.3
639.24908	0.9
641.26282	16.3
642.26758	4.3
643.27264	0.9
652.24359	1.2
655.27838	1.7
671.27405	2.5
673.29016	34.0
674.29260	9.5
683.27588	1.1
701.28699	5.3
702.28876	1.6
703.30518	2.1
715.30048	1.0
733.30829	4.0
734.31671	1.2
743.29578	6.6
744.29596	1.3
757.31458	1.9
761.30518	13.1
762.30676	3.4
775.32306	14.1
776.32648	3.9
793.33209	3.8
794.33551	0.9
911.49915	1.3
923.33905	24.2
924.34186	8.1
955.35260	5.6
956.37323	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	953.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	1.9
68.99828	1.3
69.03459	4.5
70.26537	0.2
71.01389	58.2
71.05019	0.8
72.01720	0.8
72.99316	8.6
72.99726	0.4
73.02953	17.2
74.03284	0.3
75.00893	1.1
81.03470	4.4
83.01397	21.3
83.05042	1.0
84.01730	0.3
84.02203	0.8
85.02962	54.9
85.99605	0.4
86.00103	3.5
86.03283	1.1
87.00890	11.4
87.04536	1.0
89.02460	16.2
90.02780	0.5
93.03467	1.2
95.01401	7.5
95.05029	0.5
97.02332	0.3
97.02968	7.0
98.19751	0.4
99.00898	5.7
99.04533	5.3
101.02460	47.7
102.02769	1.0
103.04029	6.6
107.05058	0.5
108.02206	0.5
109.02979	4.1
111.00903	3.2
111.04565	1.2
112.01694	3.1
113.02471	46.8
114.02744	1.1
115.04027	0.8
119.03524	5.1
121.02955	0.5
123.00909	0.4
123.04559	1.0
123.08218	0.6
124.01666	0.7
125.02470	7.3
127.04031	7.1
129.01958	0.5
131.03526	30.3
132.03879	0.6
135.04562	0.4
137.02473	6.6
139.00377	0.4
139.04010	0.8
141.01982	0.3
142.02771	0.4
143.02402	0.3
143.03526	6.1
145.05069	1.5
149.02493	0.3
151.04002	1.0
153.01970	0.3
155.03532	8.2
159.03035	0.5
161.04572	5.7
163.06151	3.6
165.01892	0.2
167.03511	0.4
169.05028	0.4
175.04059	0.3
179.03566	2.0
179.05565	1.5
181.51266	0.2
197.04588	0.4
205.07034	0.4
217.07242	0.5
230.23019	0.2
231.08777	1.4
233.06680	1.9
257.06638	0.5
259.08221	9.1
260.08548	0.8
275.07779	0.4
283.08154	0.2
301.09222	0.5
306.70660	0.2
317.24878	3.9
318.25235	0.5
343.10324	0.4
359.26086	0.5
371.25937	0.8
389.26962	1.1
400.98697	0.2
406.09161	0.2
435.32639	0.3
444.70575	0.2
453.33643	0.4
469.33310	1.0
471.34714	0.7
567.37073	2.8
568.37769	0.4
589.49738	0.2
603.39166	4.2
604.39191	0.8
645.40045	0.9
647.38263	0.7
658.01184	0.2
660.89276	0.2
669.40692	0.4
714.42505	0.3
717.42194	0.3
729.42047	0.7
731.44012	1.9
732.42688	0.3
747.29865	0.3
747.43457	9.2
748.44019	2.7
749.45148	47.2
750.45447	11.3
750.65820	0.3
765.44568	2.5
766.45313	0.5
775.43866	0.3
791.45947	2.1
792.45422	0.5
815.45752	0.4
819.45892	0.7
845.47437	0.5
857.47107	0.4
863.48248	1.0
864.48682	0.3
875.48438	0.7
893.49341	100.0
894.49664	30.9
911.50409	48.8
912.50690	15.0
953.51691	6.7
954.51477	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	953.6554
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89188	0.1
69.46476	0.2
69.46877	0.8
71.01396	0.1
77.72360	0.1
98.20687	0.2
114.93411	0.3
115.00326	0.1
116.92901	0.5
125.02467	0.2
137.09697	0.2
161.94885	0.1
209.11922	0.1
277.21982	0.1
303.92651	0.1
391.30273	0.2
393.27722	0.2
421.31097	1.6
422.31506	0.2
423.32721	1.1
424.33148	0.1
425.34882	0.7
437.30569	1.9
438.30914	0.4
439.32181	16.0
440.32584	3.2
469.34085	6.6
470.34525	1.1
483.31158	100.0
484.31503	17.0
485.31851	0.1
732.97479	0.1
756.27191	0.1
775.52179	0.1
775.66241	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	953.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.7
68.99822	1.3
69.03458	4.5
69.43581	0.4
69.43996	1.6
71.01388	50.0
71.05042	0.7
72.01729	0.7
72.99316	9.1
73.02953	13.1
75.00887	1.2
81.03471	3.9
83.01398	17.3
83.05042	1.1
84.01728	0.4
84.02179	0.7
85.02962	47.9
86.00111	2.6
86.03307	0.9
87.00886	10.3
87.04541	0.5
89.02455	14.0
93.03462	1.3
95.01398	7.1
97.02966	5.8
99.00898	5.4
99.04527	5.1
101.02458	40.0
101.70953	0.2
102.02809	0.7
103.00397	0.3
103.04021	2.7
107.05015	0.4
108.02166	0.5
109.02297	0.4
109.02975	4.1
110.03297	0.3
111.00905	3.3
111.04553	0.9
112.01685	2.6
113.02468	45.9
114.02740	1.1
115.04024	0.5
116.92863	0.5
119.03519	3.8
121.02940	0.6
123.00925	0.3
123.04533	0.7
123.08172	0.7
124.01681	0.4
125.02464	5.2
127.04040	6.2
129.01952	0.5
131.03522	26.1
132.03885	0.6
135.04552	0.3
137.01422	0.4
137.02469	6.2
137.06120	0.2
138.02800	0.2
139.00412	0.2
139.04042	0.6
141.01941	0.3
142.02733	0.4
143.03532	4.6
145.05089	1.2
149.02469	0.3
151.04027	0.8
153.01929	0.3
155.03525	5.4
159.03006	0.8
161.04572	4.1
162.04883	0.2
163.06157	1.9
167.03525	0.5
175.04045	0.4
179.03479	1.5
179.05672	1.4
185.04520	0.3
197.04585	0.6
205.07079	0.3
209.11838	0.7
217.07161	0.5
231.08723	1.0
233.06697	0.9
257.06689	0.8
259.08221	6.2
260.08572	0.3
275.07755	0.4
291.19440	0.3
301.09225	0.2
309.20709	0.6
315.23224	0.5
317.24899	2.4
318.25201	0.3
327.23300	0.7
328.23404	0.2
329.24860	0.6
341.24969	0.2
343.10394	0.3
371.26053	0.4
389.27042	0.7
397.13718	0.6
423.32657	0.8
425.34390	0.3
435.32474	0.3
453.33859	1.3
454.34119	0.2
469.33286	0.8
471.34479	0.5
515.33832	0.3
541.35541	0.3
567.36981	1.9
568.37518	0.4
603.39069	2.7
604.39587	0.6
647.38452	0.4
723.92865	0.2
729.41888	0.5
731.43866	0.6
747.43372	8.7
748.44202	1.9
749.45148	34.7
750.45557	7.6
750.59454	0.4
765.44708	3.0
766.45099	0.7
791.45410	1.4
807.45758	0.5
819.45300	0.5
845.46320	0.4
857.47314	0.5
863.48401	0.9
875.48895	0.5
893.49347	100.0
894.49677	30.8
911.50385	50.1
912.50757	15.3
953.51416	7.9
954.52081	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	953.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	2.1
68.99807	1.0
69.03459	4.1
71.01386	51.3
71.05038	0.6
71.70539	0.5
72.01720	1.0
72.99313	10.0
73.02953	12.6
75.00883	1.0
81.03468	3.4
81.22792	0.4
83.01395	19.6
84.02177	0.7
85.02960	45.1
86.00106	2.1
86.03307	0.4
87.00886	10.8
88.98824	0.6
89.02455	14.3
93.03465	1.5
95.01398	7.6
97.02960	5.3
99.00893	5.1
99.04539	3.9
99.92605	1.2
101.02459	43.0
102.02810	1.2
103.04022	1.6
107.05003	0.4
109.02977	2.8
111.00913	2.1
111.04507	0.6
112.01679	2.4
113.02468	44.6
114.02768	0.6
115.04029	0.7
116.92883	9.7
117.01995	0.7
117.92883	0.6
119.03509	3.9
121.02979	0.5
123.08215	1.0
125.02470	5.8
127.04028	5.3
129.01991	0.7
131.03525	26.2
132.03883	0.9
135.04550	0.4
137.02480	4.8
139.00360	0.4
139.04054	0.4
143.03510	4.4
145.05089	1.6
147.04581	0.4
149.04674	0.4
151.03993	0.8
155.03523	3.1
159.03011	0.7
161.04585	3.9
163.06146	1.3
179.03503	1.3
179.05627	0.9
197.04584	0.5
207.10280	0.5
209.11842	1.0
211.13350	0.6
217.07365	0.4
229.20454	0.4
231.08702	1.5
233.06700	0.7
257.06662	0.7
259.08243	5.2
275.07733	0.6
291.19586	0.5
309.20703	0.9
327.23358	1.2
329.24860	2.2
397.13602	1.1
415.14130	0.5
423.32944	1.6
425.34320	0.5
435.32538	0.8
453.33731	2.0
454.34058	0.5
469.32742	0.7
567.36719	2.2
568.37860	0.6
568.64972	0.4
603.38885	2.8
604.39575	0.5
627.39252	0.4
648.39166	0.5
729.42529	0.6
747.43469	7.1
748.44580	2.3
749.45148	30.8
750.45245	7.4
765.44800	3.9
766.44824	0.7
791.45795	0.9
863.48035	1.1
893.49347	100.0
894.49670	33.6
911.50378	64.8
912.50696	22.3
917.47357	0.8
935.45538	0.5
953.51331	7.1
954.51721	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	949.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	1.6
71.00983	1.0
71.01384	19.1
71.05027	0.7
71.71076	0.6
72.99302	1.4
73.02950	2.9
75.00883	0.8
80.02683	1.3
81.03479	2.2
83.01403	2.4
83.05035	6.3
84.02184	1.0
85.02966	5.6
87.00900	3.1
89.02458	14.9
90.02799	0.5
90.95616	0.5
95.01411	1.4
95.05080	1.0
96.33531	0.5
97.02958	5.3
97.06577	0.9
99.00899	0.9
101.02461	12.5
109.06595	0.8
111.00902	0.5
111.08172	4.2
113.02474	7.2
119.03514	4.5
123.08182	0.7
125.02485	4.7
125.06089	0.7
125.09795	0.9
129.01949	3.1
130.02278	0.7
131.03522	0.6
135.02986	0.6
135.08147	0.9
136.47559	0.4
137.07176	0.5
137.09720	1.0
139.03983	0.6
142.53490	0.4
143.03540	2.6
153.12813	0.6
161.04596	3.3
163.11320	6.0
164.11656	0.7
165.12883	5.4
166.13226	0.5
169.12335	2.8
171.10310	3.2
177.03140	0.5
179.05594	4.8
181.12379	1.8
183.13962	0.6
185.11887	0.7
191.10768	1.2
197.11839	16.7
198.12202	1.3
199.13467	0.6
207.10297	1.2
209.11844	100.0
210.12173	6.2
211.13394	4.3
217.07263	0.8
221.06670	1.6
223.13448	0.6
225.11441	0.8
227.12892	14.4
235.08249	4.1
247.20621	1.6
253.09303	1.2
259.08136	0.7
263.20160	0.9
270.93610	0.5
273.18765	0.9
287.07730	1.4
289.18073	1.6
291.19656	23.3
292.19888	2.6
297.12570	0.5
305.08920	2.7
309.20718	77.2
310.21082	6.4
323.09717	1.3
351.21823	0.7
379.12531	4.8
397.13541	41.2
398.14059	2.7
415.14575	13.8
416.15073	0.8
446.93732	0.5
470.25830	0.5
501.32465	1.2
589.24902	1.2
607.26111	4.6
608.26050	0.9
689.34106	2.7
690.34125	1.0
707.35339	4.0
708.35052	0.8
766.69006	0.5
949.48041	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	948.485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	35.8
75.00885	10.2
82.39812	10.2
85.02962	11.0
87.00897	17.0
88.98836	17.5
89.02441	25.4
89.62983	9.5
98.20653	20.9
101.02475	24.7
105.44205	10.3
113.02489	18.6
116.28832	10.0
125.02492	11.3
186.73438	9.9
209.11855	79.6
210.12189	33.1
211.13120	9.6
227.12796	12.7
229.89139	14.0
235.08415	12.1
255.23318	36.6
256.23581	17.6
277.21640	47.8
278.22083	31.0
293.21121	21.7
397.13544	100.0
398.13824	35.1
399.14014	14.6
415.14453	20.5
416.14996	16.0
440.08221	10.5
471.34814	37.3
472.35211	29.7
473.35068	17.3
474.35800	10.2
475.36002	10.2
948.49866	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	949.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39034	0.7
71.01388	12.4
71.71098	1.0
72.99300	1.9
73.02941	4.9
75.00880	1.0
83.01366	1.4
83.05073	0.9
85.02961	18.8
87.00895	4.1
87.01334	0.8
87.04529	0.9
89.02460	6.8
95.01411	0.7
97.02956	2.2
99.00867	0.8
99.04520	0.8
101.02460	8.1
103.04023	1.4
103.48515	0.6
113.02435	2.2
115.04043	1.3
115.34328	0.7
116.92855	0.7
119.03491	1.2
125.02460	1.6
127.04003	1.8
131.03523	3.7
143.03522	2.4
145.05092	1.3
161.04556	0.9
171.10271	1.5
179.03552	0.6
197.11850	1.1
205.07146	1.5
209.11789	3.2
211.13443	1.9
215.12914	1.4
227.12950	0.7
231.08832	1.5
245.03755	0.6
247.08208	1.1
253.09206	0.7
309.20782	1.6
330.05963	0.8
341.23312	1.5
397.13336	2.2
411.71680	0.8
489.35855	1.0
538.96875	0.9
621.40918	0.9
647.67688	0.9
698.81592	0.8
913.33636	1.1
913.51892	23.4
914.52356	7.4
932.46222	1.0
949.49683	100.0
950.50104	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	948.485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	41.2
71.71819	39.5
76.50106	21.2
87.00887	23.7
88.98827	44.7
89.02477	29.4
96.96034	32.3
101.02480	26.7
116.92922	23.7
163.46228	20.0
171.80023	20.6
175.18095	21.1
201.11302	30.7
209.11888	97.0
214.68056	21.4
227.12834	33.6
256.73886	21.2
277.21741	68.5
471.34766	100.0
472.35236	75.6
473.35577	36.2
474.35797	47.2
922.56165	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.9
71.01391	8.5
71.03145	1.6
72.99316	1.2
73.02946	4.5
75.00890	1.3
77.24704	0.5
81.03461	0.7
83.01385	1.5
83.05052	0.6
85.02435	0.9
85.02961	16.6
85.51031	0.5
87.00880	4.2
87.04547	1.0
88.42725	0.6
89.02447	3.0
95.01383	1.0
97.02970	1.5
99.00901	0.8
99.04505	1.3
101.02455	8.8
103.04021	1.7
111.00883	1.4
113.02454	1.7
114.38773	0.6
115.00352	0.9
116.92897	0.7
117.03520	0.9
119.03531	1.0
121.02953	0.9
125.02481	1.3
127.04031	2.1
130.52725	0.6
131.03539	4.6
143.03490	1.0
145.05060	1.0
151.26183	0.7
161.02380	1.2
171.10255	1.3
175.02489	1.6
197.11858	1.1
205.07155	0.6
209.11844	2.0
231.08757	0.7
247.08098	0.9
319.38751	0.8
612.50696	0.8
765.44110	1.0
911.50378	38.1
912.50671	11.1
946.54425	2.7
947.48120	100.0
948.48425	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	947.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32623	0.7
71.01389	12.4
71.71037	1.2
72.99301	2.1
73.02950	3.4
75.00868	1.9
75.69412	0.7
79.38549	0.7
83.01385	2.6
85.02962	9.3
87.00883	3.5
89.02469	5.4
97.02968	1.2
99.00899	1.8
101.02467	11.5
103.04032	0.9
111.00888	2.2
113.02470	4.3
115.00382	2.2
119.03534	1.5
129.01936	3.1
131.03546	7.2
135.02954	1.1
142.06645	1.7
143.03465	0.9
171.10303	1.1
175.02475	2.1
175.03969	0.6
175.52837	0.7
180.28976	0.6
183.06697	1.1
197.11899	1.4
201.11411	1.3
209.11862	6.5
210.12085	0.9
211.13409	2.2
214.69022	0.7
227.12854	1.2
235.08310	1.0
249.11285	1.1
253.09258	1.9
291.19751	1.8
293.21216	2.7
309.20673	2.1
313.51346	0.9
321.33810	0.7
352.06683	0.8
397.13843	0.9
749.45001	9.0
750.45709	2.0
765.44910	0.9
795.41943	1.4
887.48792	0.8
911.50378	40.0
912.50732	11.5
947.48212	100.0
948.48517	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	945.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50960	0.3
69.03491	0.4
70.91650	0.6
70.92039	0.7
71.01389	100.0
71.80787	0.4
72.01725	1.3
72.99316	6.0
73.02954	16.3
75.00867	2.0
81.03472	0.9
82.06379	0.4
83.01403	9.0
83.11964	0.4
84.02149	0.5
85.02964	28.8
86.00106	2.9
86.03296	0.6
87.00455	0.4
87.00886	19.6
89.02457	83.4
90.02793	1.6
95.01395	8.4
97.02966	1.6
99.00896	6.8
101.02460	69.4
102.02804	1.8
107.03516	0.9
111.00899	1.5
113.02470	47.0
114.02811	1.3
119.03522	28.7
120.03869	0.6
121.02998	0.8
125.02465	2.7
129.01982	1.5
131.03528	27.5
132.03862	0.6
137.02379	0.4
139.00388	0.4
141.68532	0.3
143.03525	9.6
147.04486	0.5
149.04599	3.4
159.03017	4.8
161.02423	1.1
161.04581	43.4
162.04926	1.0
162.71704	0.4
165.05591	0.7
179.05635	89.1
180.05937	2.9
201.88716	0.4
205.03568	0.8
209.11839	0.5
221.06682	78.4
222.07043	4.0
232.72606	0.4
263.07718	73.6
264.08032	3.3
313.21826	0.5
323.09766	4.3
341.10889	2.7
451.46432	0.4
603.39111	2.2
657.34894	0.9
765.44562	0.7
783.46082	1.4
819.40717	5.4
820.41187	1.3
927.49786	6.5
928.50885	1.5
945.51331	36.3
946.51624	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	945.5104
Annotation	Astragaloside V
Peak:m/z	Relative Intensity
67.01902	0.2
69.03458	0.5
71.01385	97.2
71.05009	0.4
71.42979	0.4
72.01726	1.5
72.99314	9.6
73.02953	5.1
75.00881	0.6
81.03466	0.6
83.01395	4.8
83.05020	0.3
84.02188	0.5
85.02959	24.5
86.00111	0.7
86.03294	0.6
87.00885	6.5
87.04531	3.1
89.02452	100.0
90.02779	1.4
95.01401	6.4
95.05033	0.8
96.01790	0.3
97.02956	0.8
99.00893	1.1
99.04531	0.6
101.02454	55.0
102.02799	1.2
103.04007	1.6
107.03513	0.5
109.02966	0.4
111.00909	0.3
112.01691	0.3
113.02463	34.9
113.06066	1.0
114.02803	0.8
115.04040	0.8
116.92876	0.2
119.03519	35.2
120.03863	0.6
121.67168	0.2
123.04527	0.2
125.02448	1.6
127.04027	0.4
131.03520	12.9
132.03886	0.3
133.01427	0.2
133.03008	0.3
137.02435	0.2
139.00401	0.4
143.03522	12.1
144.03838	0.5
145.03020	0.3
145.05072	0.4
149.04579	4.8
149.99634	0.3
150.35396	0.2
161.02437	0.8
161.04572	12.3
162.04958	0.5
163.04097	0.2
165.05594	0.4
168.00616	0.4
169.01497	0.3
179.05626	47.8
180.05986	1.5
189.05562	0.2
193.05034	0.3
204.06616	0.2
209.11870	0.4
221.06543	0.4
231.08650	0.2
263.07687	0.2
327.23297	0.4
335.48999	0.2
337.07095	0.3
353.24957	0.4
355.26407	3.4
356.26691	0.5
379.26440	0.8
381.27994	3.0
382.28415	0.5
397.27716	0.2
399.29053	3.6
400.29282	0.6
403.38171	0.2
451.32550	0.8
457.11029	0.2
469.33380	0.4
487.35056	1.4
488.34958	0.3
513.32257	0.9
531.33319	0.9
583.36578	0.3
601.37549	0.3
619.38788	1.1
620.38397	0.3
633.36066	0.2
641.35327	0.5
677.39386	0.6
747.43146	0.3
765.44586	47.2
766.44885	13.0
799.45355	0.3
803.40887	0.3
927.50061	2.3
928.50153	0.5
945.51166	18.9
946.51550	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	945.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99839	0.3
69.03465	1.4
69.56612	1.0
69.57043	2.0
71.01389	100.0
72.01727	1.6
72.99316	6.4
73.02954	15.5
74.03304	0.4
75.00864	1.5
81.03462	0.6
83.01397	8.5
84.02175	0.4
85.02962	31.3
86.00119	2.9
86.03307	0.9
87.00888	17.5
88.98835	0.6
89.02457	83.4
90.02790	1.4
90.28336	0.3
95.01405	7.4
95.01991	0.5
95.05070	0.5
96.01701	0.4
97.02938	1.9
99.00898	6.7
99.04514	0.3
99.66799	0.3
101.02460	70.0
102.02798	0.9
103.04015	0.4
106.43289	0.3
107.03519	0.5
107.05042	0.4
111.00902	1.5
113.02469	45.4
114.02842	1.0
115.00390	0.4
115.04037	0.4
116.92871	2.3
117.01962	0.3
117.92940	0.5
119.03524	29.8
119.04942	0.9
120.03893	0.7
121.03015	0.3
123.04544	0.6
124.01717	0.5
125.02470	3.0
129.01944	2.1
131.03526	26.6
132.03888	0.5
133.01440	0.3
133.02977	1.0
134.03787	0.9
135.04555	0.5
137.02493	0.6
139.00462	0.5
143.03525	10.4
145.02988	0.8
149.02542	0.7
149.04567	3.8
149.99564	0.6
150.03265	0.8
150.04878	0.3
159.03038	5.5
160.01691	1.7
161.02423	2.2
161.04579	43.6
162.04922	1.5
163.04050	0.4
164.04817	0.4
165.05580	0.9
167.03441	0.4
168.00626	1.4
175.02592	0.5
175.04025	1.0
177.56737	0.4
177.58215	0.3
179.05634	86.6
180.05933	2.6
186.05583	0.4
190.02617	0.4
193.05096	0.4
205.03537	0.9
209.11842	2.0
221.06674	69.4
222.07002	3.1
235.06186	0.4
255.06606	0.4
263.07709	66.7
264.08005	3.1
323.09882	4.3
324.09921	0.4
341.10867	3.1
355.26367	0.4
381.27701	0.3
383.66681	0.3
399.29294	0.6
482.01559	0.4
640.37866	0.5
641.37585	0.5
656.31305	0.3
679.23706	0.7
697.38416	0.3
765.44855	1.8
767.92645	0.4
775.84497	0.3
783.45709	3.7
784.46417	0.4
841.43127	0.7
848.19641	0.4
894.51422	0.4
901.44427	0.6
913.33057	0.5
927.50323	2.6
928.50793	0.8
936.64319	0.4
945.36322	1.7
945.51141	43.5
946.51587	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	945.51
Annotation	Astragaloside V
Peak:m/z	Relative Intensity
69.03454	0.9
71.01386	88.1
72.01733	1.6
72.99312	10.8
73.02953	8.0
75.00880	1.2
79.79066	0.3
81.03474	0.5
83.01395	6.0
83.05035	0.4
85.02960	28.5
86.00108	1.0
86.03304	0.6
87.00883	7.9
87.04532	1.3
88.98809	1.2
89.02454	67.5
90.02784	1.1
95.01395	5.0
97.02962	0.9
98.20660	1.0
99.00899	2.1
99.04536	0.9
101.02455	41.5
102.02808	1.0
103.04024	3.1
109.02966	0.5
111.00870	0.5
113.02470	23.9
114.02808	0.5
115.00370	0.7
115.04037	1.1
116.92876	1.0
119.03522	17.9
119.05040	1.3
120.03904	0.5
121.03012	0.3
123.04554	0.3
125.02462	1.6
127.04041	0.6
129.01923	0.6
131.03523	15.2
132.02191	0.5
132.03876	0.3
133.02985	1.1
134.03767	2.0
135.04558	0.7
137.05170	0.3
143.03539	5.6
145.02982	0.5
145.05070	0.8
149.02475	0.8
149.04578	3.7
150.03209	0.4
151.04088	0.4
159.03023	0.6
160.01706	2.2
161.02504	3.5
161.04576	6.4
163.04089	0.8
163.06157	1.3
164.04788	0.6
165.05562	0.9
167.03448	0.3
175.00395	0.8
175.02597	0.5
175.04037	1.6
179.05632	14.3
180.05981	0.6
190.02731	1.7
191.03424	0.6
193.05086	1.3
197.11902	0.4
205.05074	1.5
205.07208	1.7
206.05873	0.4
209.11836	3.1
217.01472	0.3
221.06624	6.2
222.07021	0.3
223.06233	0.8
224.13557	0.3
257.12970	0.6
263.07684	5.7
265.06992	0.3
293.09201	0.3
337.07114	0.6
367.26190	0.4
416.94513	0.3
439.31989	0.6
455.31708	1.5
457.11621	0.4
467.31860	0.5
485.33200	0.6
487.34631	4.5
488.35092	0.8
531.32996	0.5
598.51862	0.3
619.38776	4.1
620.38428	0.6
681.47656	0.4
732.35663	0.5
739.32178	0.7
765.44604	32.6
766.44977	7.4
783.45807	0.8
799.45117	3.3
800.46191	0.8
803.41528	0.5
845.42682	0.5
901.45068	1.5
902.45013	0.5
945.51202	100.0
946.51587	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	945.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61710	0.1
71.01383	0.3
71.29508	0.3
83.01419	0.3
83.54433	0.1
85.02950	0.2
89.02483	0.2
102.70284	0.1
105.93259	0.1
107.01394	0.8
108.02193	1.0
113.02490	0.2
115.07677	1.1
121.02995	0.3
124.01707	0.1
125.02505	0.2
128.31180	0.1
131.77031	0.1
135.00882	0.3
136.34105	0.1
139.03943	0.1
142.06662	0.6
143.07024	0.1
148.01700	0.9
151.00388	2.8
163.00412	0.6
164.01176	0.3
169.01457	0.2
178.99884	2.4
180.00302	0.1
181.74658	0.1
183.04616	0.2
184.64838	0.1
186.05644	0.2
187.04013	0.2
192.00745	0.2
199.03978	0.4
204.06703	0.4
211.03917	0.2
213.01790	0.2
215.03506	0.2
216.04250	0.4
226.02722	0.8
227.03516	1.3
243.02979	5.9
244.03542	0.6
246.07802	0.3
254.02187	1.7
255.02979	16.8
256.03339	1.2
271.02466	38.0
272.02887	4.0
273.03848	0.2
278.01208	0.1
299.02005	1.9
300.02753	81.9
301.03223	9.9
302.03818	0.2
303.04828	0.2
325.03513	0.2
355.04535	0.3
365.14569	0.6
366.14914	0.2
429.08121	0.3
447.09433	0.3
545.66919	0.1
579.13586	100.0
580.13922	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	945.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99834	0.4
69.03456	0.6
69.81538	2.8
71.01389	92.1
71.05024	0.5
72.01735	1.6
72.99314	9.9
73.02954	9.3
75.00877	1.4
83.01399	6.7
83.05038	0.7
84.02170	0.5
85.02961	26.3
86.00110	1.8
87.00886	10.2
87.04537	1.2
88.98815	1.7
89.02455	70.2
90.02809	1.1
91.72413	0.3
95.01398	5.5
97.02972	1.4
99.00889	2.8
99.04557	0.5
101.02460	45.1
102.02771	1.3
102.64585	0.4
103.04017	2.8
109.02980	0.6
111.00883	0.7
113.02470	28.9
114.02794	1.0
115.04016	1.6
116.92896	0.8
119.03525	19.7
119.05012	1.2
125.02487	2.1
127.04028	0.5
127.67131	0.5
129.01967	0.6
131.03525	16.1
131.07191	0.4
132.02144	0.6
133.02972	1.3
134.03775	2.0
135.04556	1.1
137.02458	0.5
143.03546	5.7
145.02956	0.8
145.05116	0.8
149.02420	0.6
149.04576	3.0
159.03044	1.5
160.01700	2.7
161.02538	3.7
161.04576	11.6
163.04102	0.8
163.06194	0.8
164.04776	0.5
165.01880	0.5
165.05548	0.9
175.00377	0.7
175.02615	0.6
175.04059	2.2
179.05634	23.3
180.06013	0.6
190.02766	1.3
192.47867	0.4
193.05045	1.5
205.05070	1.1
205.07173	1.6
209.11862	3.3
211.13370	0.4
221.06664	16.3
222.07089	0.7
223.06104	0.5
227.12993	0.5
257.12894	0.5
263.07715	16.3
264.08105	0.5
265.07123	0.5
277.09613	0.5
293.09268	0.5
323.09875	0.9
337.07272	1.2
339.08774	0.4
341.10986	0.5
455.31839	0.8
457.11728	0.9
459.12885	0.4
487.34543	3.9
488.34354	1.3
535.19727	0.4
592.22168	0.4
619.38763	4.5
620.39008	0.5
692.96973	0.4
732.35229	0.7
765.44647	27.7
766.44928	7.2
783.45508	1.4
799.45325	2.8
850.39685	0.5
885.48499	0.9
901.44800	1.9
902.43970	0.6
945.51184	100.0
946.51526	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7078
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60579	0.0
70.08334	0.0
70.22688	0.2
72.99319	0.1
73.31895	0.0
74.01378	0.0
85.34386	0.0
88.98810	0.0
469.33298	0.1
470.33594	0.2
471.34796	100.0
472.35135	14.7
601.72498	0.0
973.23157	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	944.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	40.5
71.70551	7.5
72.99326	10.0
73.02949	27.0
75.00864	8.6
77.53219	6.0
83.01360	7.7
85.02968	83.1
86.03284	12.5
87.00899	11.7
88.98827	29.9
89.02456	7.8
94.39487	7.0
96.96041	8.3
101.02489	43.7
102.55013	7.3
114.95336	7.1
127.04123	9.2
131.03517	23.0
131.04494	7.5
158.08241	10.5
209.11905	12.9
211.13333	14.6
273.33719	6.5
331.26389	7.0
457.29581	14.6
469.29407	10.3
470.29947	8.5
501.32211	12.3
756.42340	35.1
757.43176	54.2
758.43585	97.9
866.52307	16.5
882.53003	11.1
883.54498	31.6
884.53998	100.0
885.54114	17.9
944.53131	38.2
945.53119	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	943.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87623	0.3
69.03453	1.1
71.01385	60.3
71.04553	0.2
71.04998	0.3
71.71954	0.4
72.01723	0.7
72.99311	5.1
73.02952	15.2
74.03310	0.3
75.00883	1.1
81.03503	0.6
83.01396	7.7
83.05047	0.3
84.02184	0.4
85.02959	31.3
86.00107	2.1
86.03313	0.9
87.00877	6.6
87.04546	1.7
88.98830	0.4
89.02454	19.5
95.01401	5.4
97.02976	1.6
99.00890	6.0
99.04525	0.6
101.02455	37.6
101.06088	0.6
102.02802	0.9
103.04037	1.8
108.02198	1.2
108.04603	0.3
108.78927	0.3
109.03036	0.5
111.00914	1.4
113.02463	23.8
114.02798	0.5
115.00366	0.7
115.04042	1.0
115.87153	0.2
116.92847	0.4
119.03518	6.5
119.05045	0.8
122.06129	0.8
123.04563	0.7
125.02448	1.8
127.04012	0.3
128.03568	0.3
129.01944	1.1
131.03516	1.9
133.02983	0.7
134.03731	0.5
135.04532	0.7
136.07721	0.4
137.02501	0.3
139.00377	0.5
143.03540	2.8
143.04579	0.6
145.02977	0.3
145.05081	0.6
150.03233	0.3
152.01140	2.2
159.03017	1.9
159.06644	0.7
161.02533	1.5
161.04572	4.9
163.04065	0.5
163.06094	0.5
165.05637	0.8
167.03503	2.1
175.02466	0.9
175.03900	0.3
179.03416	0.4
179.05658	0.6
190.02707	0.3
195.06610	0.4
197.03319	0.3
200.24001	0.3
205.07202	0.5
209.11838	1.3
249.10287	0.3
251.11967	0.6
257.12967	0.6
265.09802	0.4
271.02286	0.3
277.09821	0.7
278.10663	0.3
279.07693	0.3
291.11200	0.4
293.09424	0.6
293.12766	0.4
303.14401	0.3
306.07648	0.9
321.08844	0.6
455.35507	0.7
457.11102	0.3
459.17917	0.7
473.36276	6.5
474.36633	1.1
529.71112	0.3
547.36566	0.6
581.24194	1.3
582.24518	0.4
617.40900	0.7
631.28760	0.4
635.42139	0.5
639.37616	2.0
640.38501	0.3
775.32190	0.9
776.31805	0.4
781.47571	1.2
797.47046	9.5
798.47321	2.9
801.43158	0.7
911.33484	0.5
912.33325	0.8
943.53119	100.0
944.37549	1.7
944.53448	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	943.5311
Annotation	Cephalostatin 12
Peak:m/z	Relative Intensity
67.87623	0.3
69.03453	1.1
71.01385	60.3
71.04553	0.2
71.04998	0.3
71.71954	0.4
72.01723	0.7
72.99311	5.1
73.02952	15.2
74.03310	0.3
75.00883	1.1
81.03503	0.6
83.01396	7.7
83.05047	0.3
84.02184	0.4
85.02959	31.3
86.00107	2.1
86.03313	0.9
87.00877	6.6
87.04546	1.7
88.98830	0.4
89.02454	19.5
95.01401	5.4
97.02976	1.6
99.00890	6.0
99.04525	0.6
101.02455	37.6
101.06088	0.6
102.02802	0.9
103.04037	1.8
108.02198	1.2
108.04603	0.3
108.78927	0.3
109.03036	0.5
111.00914	1.4
113.02463	23.8
114.02798	0.5
115.00366	0.7
115.04042	1.0
115.87153	0.2
116.92847	0.4
119.03518	6.5
119.05045	0.8
122.06129	0.8
123.04563	0.7
125.02448	1.8
127.04012	0.3
128.03568	0.3
129.01944	1.1
131.03516	1.9
133.02983	0.7
134.03731	0.5
135.04532	0.7
136.07721	0.4
137.02501	0.3
139.00377	0.5
143.03540	2.8
143.04579	0.6
145.02977	0.3
145.05081	0.6
150.03233	0.3
152.01140	2.2
159.03017	1.9
159.06644	0.7
161.02533	1.5
161.04572	4.9
163.04065	0.5
163.06094	0.5
165.05637	0.8
167.03503	2.1
175.02466	0.9
175.03900	0.3
179.03416	0.4
179.05658	0.6
190.02707	0.3
195.06610	0.4
197.03319	0.3
200.24001	0.3
205.07202	0.5
209.11838	1.3
249.10287	0.3
251.11967	0.6
257.12967	0.6
265.09802	0.4
271.02286	0.3
277.09821	0.7
278.10663	0.3
279.07693	0.3
291.11200	0.4
293.09424	0.6
293.12766	0.4
303.14401	0.3
306.07648	0.9
321.08844	0.6
455.35507	0.7
457.11102	0.3
459.17917	0.7
473.36276	6.5
474.36633	1.1
529.71112	0.3
547.36566	0.6
581.24194	1.3
582.24518	0.4
617.40900	0.7
631.28760	0.4
635.42139	0.5
639.37616	2.0
640.38501	0.3
775.32190	0.9
776.31805	0.4
781.47571	1.2
797.47046	9.5
798.47321	2.9
801.43158	0.7
911.33484	0.5
912.33325	0.8
943.53119	100.0
944.37549	1.7
944.53448	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	943.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.9
71.01386	19.5
71.26570	2.6
72.99337	2.0
73.02962	3.2
75.00890	1.7
78.69760	1.2
83.01402	2.6
85.02954	4.1
87.00892	6.6
89.02473	8.8
95.01408	1.8
97.02977	10.0
97.06576	2.0
99.00893	19.1
101.02439	7.9
109.06606	2.2
113.02473	6.4
123.08244	1.4
125.02477	7.9
125.09747	5.8
135.08104	1.4
142.02734	2.3
142.92572	1.3
143.03479	1.8
163.11273	11.1
165.03459	1.3
181.12367	17.6
183.37732	1.2
189.09111	1.3
197.11897	1.5
199.13429	4.5
207.10271	58.8
208.10629	3.0
225.11319	90.5
226.11682	4.5
229.52654	1.2
235.08221	2.3
243.12361	33.4
244.12677	2.9
255.23251	1.4
261.56058	1.2
263.07693	1.8
277.21732	53.2
278.22177	4.3
287.07755	1.4
317.16101	2.7
369.85632	1.3
379.12509	2.9
397.13449	7.5
415.14426	2.6
467.31641	2.3
487.34378	1.5
533.28766	1.4
605.24536	30.2
606.24860	3.4
623.25714	26.5
624.26178	3.5
675.35468	1.5
849.12750	1.4
883.47229	100.0
884.47717	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	941.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	2.4
69.42699	1.3
69.43132	1.8
71.01389	26.6
71.05020	0.8
72.99311	4.4
73.02954	19.8
74.73761	0.3
75.00881	2.4
81.03473	2.0
82.73090	0.3
83.01392	4.7
83.05017	0.8
85.02962	61.2
86.00099	1.9
86.03293	1.3
87.00883	10.5
87.04531	2.8
88.98814	3.0
89.02454	6.3
89.45303	0.3
95.01387	1.4
95.05056	0.5
97.02970	2.9
98.20756	0.5
99.00898	1.7
99.04527	4.3
101.02460	25.6
102.02789	0.5
102.36436	0.3
103.04028	3.9
108.02193	0.3
109.02965	2.5
111.00919	0.5
113.02485	2.2
115.04045	2.6
119.03547	2.0
125.02460	1.7
127.04037	7.1
129.01961	0.4
131.03526	18.4
132.03859	0.4
143.03523	4.8
145.05077	2.8
151.03906	0.4
163.06145	1.4
197.11797	0.7
205.07184	2.7
223.13361	1.3
231.08731	1.9
247.08290	2.8
247.83400	0.3
253.09120	0.3
277.02850	0.3
291.10892	1.5
291.19693	0.7
308.36316	0.3
309.20709	1.0
313.21768	0.4
329.24872	0.7
331.26443	12.6
332.26935	1.6
341.23416	0.5
385.27692	0.3
439.35617	0.6
463.30685	2.6
469.29510	0.9
470.29630	0.5
471.30502	0.6
533.31421	0.5
537.50970	0.4
609.36621	4.7
610.37164	0.8
698.23987	0.3
717.46057	0.9
735.47131	3.6
736.47626	0.6
755.42554	100.0
756.42914	24.6
782.77747	0.4
863.52051	9.8
864.52692	2.9
881.53003	80.7
882.53265	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.4
68.99825	1.0
69.03460	3.7
70.88148	0.3
70.88522	0.2
71.01386	67.1
72.01722	0.9
72.99312	7.7
73.02951	15.4
74.03313	0.2
75.00883	0.6
81.03457	0.9
83.01395	29.6
83.05034	0.3
84.01720	0.4
84.02178	0.5
85.02959	38.9
86.00105	3.1
86.03281	0.9
87.00884	6.8
87.04518	0.6
88.01192	0.2
88.98799	0.1
89.02453	17.9
90.02789	0.3
95.01398	10.4
96.01733	0.2
97.02964	9.6
98.44122	0.1
99.00894	8.5
99.04527	0.5
100.01207	0.2
101.02457	46.2
102.02805	0.6
103.04024	3.9
107.01429	0.1
108.02175	0.3
109.02962	0.8
111.00889	0.9
112.01684	2.7
113.02464	37.7
114.02757	0.7
115.04044	1.3
117.01942	0.2
117.03491	0.5
119.03520	5.2
123.08186	0.6
124.01709	0.3
125.02464	11.8
126.02808	0.2
127.04015	0.7
129.01967	0.7
131.03526	1.7
132.84282	0.1
137.02434	0.5
137.45757	0.1
139.00389	0.4
139.04018	0.1
141.01912	0.1
142.02750	0.3
143.03520	22.0
144.03831	0.7
145.02962	1.2
145.05092	0.5
149.02446	0.1
149.04550	0.3
155.03555	0.2
159.03024	1.0
161.04576	18.0
162.04919	0.6
163.04012	0.3
163.06120	1.0
167.03485	0.3
179.05618	2.4
205.07187	0.3
209.11790	0.1
233.06688	0.3
257.06641	0.2
275.07654	0.2
289.09265	2.0
313.21780	0.2
327.23282	1.0
329.24799	1.1
330.24908	0.2
347.26016	0.2
373.23773	0.2
423.32635	0.9
433.30804	0.2
435.32758	0.3
453.33841	1.0
469.33292	1.2
473.65457	0.1
493.33160	0.2
513.35681	0.3
541.35162	0.2
567.37109	1.5
568.37518	0.3
597.37769	0.4
633.40198	7.9
634.40521	1.6
779.46118	100.0
780.46460	19.6
795.45612	6.0
796.46124	1.2
899.53162	0.1
941.51538	39.8
942.51855	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	941.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01903	0.5
68.99825	0.9
69.03470	2.7
71.01388	83.5
71.71011	0.2
72.01723	1.4
72.99312	7.2
73.02952	22.0
74.03294	0.3
75.00885	1.7
79.01904	0.2
81.03483	0.9
83.01395	17.6
84.01723	0.4
84.02194	0.8
85.02961	51.1
86.00114	1.7
86.03305	0.9
87.00889	7.5
87.04534	1.3
89.02456	22.7
90.02793	0.4
95.01405	9.5
96.96016	0.3
97.02967	6.1
99.00896	12.0
99.04532	0.7
101.02460	51.5
102.02785	0.9
103.04015	2.5
109.02995	0.6
111.00893	1.5
112.01691	0.8
113.02467	41.0
114.02798	0.9
115.04011	1.4
119.03523	7.3
119.04872	0.3
120.03857	0.3
123.08183	0.7
125.02466	9.0
126.02827	0.3
127.04047	0.5
129.01978	0.8
131.03534	2.9
139.00357	0.6
141.02043	0.2
143.03528	8.6
144.03851	0.3
145.02986	0.4
145.05080	0.6
147.04530	0.3
149.04597	0.5
159.03018	3.4
161.04581	11.9
163.06140	0.6
165.05574	0.6
179.05621	3.3
205.03542	0.4
205.07100	1.1
209.11711	0.3
211.13457	0.2
224.79015	0.2
231.95636	0.2
233.06638	0.5
289.09399	0.5
327.23297	1.4
329.24857	1.6
347.25980	0.6
373.23898	0.3
423.32568	1.5
424.33450	0.3
425.34256	0.6
433.31192	0.3
435.32614	0.4
453.33813	2.3
454.34091	0.4
462.24478	0.3
469.33057	0.3
483.64166	0.3
559.48065	0.3
567.37378	1.1
617.39014	0.3
633.40259	5.1
634.40710	0.7
659.22504	0.3
717.37781	0.3
779.46155	80.1
780.46521	17.6
795.45605	8.1
796.46375	1.7
816.11676	0.3
941.51569	100.0
942.51886	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.2
71.01388	0.5
71.26836	0.4
82.53895	0.1
83.05002	0.8
89.02455	0.2
94.72748	0.1
96.96021	0.3
101.02457	0.4
116.92896	0.3
125.02435	0.2
199.13327	0.2
209.11879	0.2
225.11380	0.4
227.12895	0.3
235.90987	0.2
265.14734	0.4
276.71829	0.2
277.21744	0.4
278.22098	0.2
397.13531	0.6
397.30887	0.3
405.31519	0.6
407.33630	0.4
409.31531	0.2
421.31122	0.4
423.32700	2.8
424.32886	0.4
425.34241	10.9
426.34607	1.3
439.31943	0.4
455.31696	0.5
469.33237	100.0
470.33588	13.7
483.31006	1.3
484.31494	0.4
812.13904	0.2
857.46393	0.3
883.47894	0.3
885.48529	0.5
939.46167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	0.8
68.99810	0.3
69.03458	4.2
71.01387	40.6
71.70811	0.2
71.71208	0.2
72.01725	0.5
72.99312	8.7
73.02952	19.5
74.03303	0.2
75.00873	0.6
75.10042	0.2
81.03476	1.4
83.01397	7.6
83.05047	0.8
84.01723	0.2
84.02178	0.4
85.02959	30.1
86.00106	4.6
86.03293	0.6
87.00881	2.3
87.04531	1.0
88.98818	0.2
89.02457	7.7
95.01379	0.9
97.02987	0.9
99.00894	2.0
99.04516	1.2
101.02456	34.9
102.02795	0.7
103.04028	5.4
108.02161	0.3
109.02973	0.8
111.00855	0.4
112.01698	0.8
113.02454	2.5
114.38129	0.2
115.04010	0.4
119.03516	1.6
119.05064	0.4
123.08169	1.3
125.02441	0.5
127.04042	2.0
131.03522	30.9
132.03873	0.7
140.28288	0.2
143.03503	0.5
145.05092	2.4
161.02409	0.2
163.06131	1.7
209.11821	0.3
239.45389	0.2
281.06479	0.2
299.23843	0.2
313.21927	0.2
315.23221	0.3
317.24844	8.5
318.25204	0.8
327.23233	0.2
329.23859	0.3
331.22681	0.3
341.24933	0.3
347.25797	0.2
359.25934	0.7
371.25928	1.8
372.26337	0.2
389.26981	2.7
390.27530	0.5
423.32590	1.0
425.34387	0.3
431.27887	0.3
435.32651	0.4
449.29379	0.2
453.33765	1.5
471.34897	1.4
476.54004	0.2
515.33783	0.5
521.30853	0.2
547.94092	0.2
555.37506	0.2
567.36945	0.2
585.37872	0.2
603.38934	4.9
604.39380	0.8
617.40643	0.2
646.19080	0.2
647.38336	0.9
713.44440	0.3
730.19501	0.2
731.43994	5.6
732.44067	1.5
749.45074	9.9
750.45679	1.9
775.43182	1.2
791.45758	0.6
793.43787	0.5
794.44623	0.3
877.49866	100.0
878.50189	30.5
895.50897	61.0
896.51202	17.9
937.51910	28.8
938.52124	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	933.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.0
71.01389	19.9
71.51871	0.7
71.70737	0.7
72.99318	2.0
73.02950	2.6
75.00874	1.1
80.02674	1.1
81.03473	1.9
83.01396	2.4
83.05038	6.0
84.02204	0.8
85.02979	3.9
86.00120	0.6
87.00884	3.3
89.02454	12.1
89.97504	0.6
95.01402	2.1
97.02980	3.1
99.00861	0.7
101.02465	11.0
109.06577	1.2
111.04539	0.7
111.08189	0.7
113.02485	6.0
115.68374	0.7
119.03521	3.3
123.00883	0.9
125.02467	5.7
125.06119	0.8
129.01938	1.1
131.03444	0.8
135.08258	1.2
143.03519	2.4
145.05058	0.8
161.04550	3.2
161.07274	0.6
163.11330	5.1
165.12865	2.6
171.10301	2.6
179.05637	2.6
179.14426	0.8
181.12267	0.7
183.13847	1.5
191.10725	1.2
195.13942	6.8
197.11797	1.4
207.10263	1.5
209.11847	100.0
210.12172	6.8
211.13394	3.9
221.06685	1.8
223.13387	5.4
225.11336	1.6
227.12909	10.9
235.08226	5.3
245.06616	0.7
253.09232	1.4
256.13046	0.7
263.07660	0.8
275.20163	5.8
285.50211	0.7
287.07623	0.8
291.19659	1.7
293.21225	99.3
294.21558	10.5
305.08896	1.2
309.20645	3.6
323.09787	1.6
327.22031	1.1
379.12430	5.1
397.13544	44.1
398.13766	3.1
415.14566	14.5
416.14883	1.3
485.32846	0.8
589.25354	1.4
607.25909	6.4
608.26477	1.4
673.34479	2.3
691.35773	2.5
692.36865	1.1
933.47601	1.6
968.12744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00341	1.0
65.17758	0.8
66.02954	0.9
69.03468	1.8
69.61670	6.4
69.62091	1.7
70.37350	0.9
71.01383	25.0
71.01761	1.6
72.99311	2.0
73.02946	7.8
75.00903	1.4
83.01408	1.6
85.02962	29.4
87.00867	5.9
89.02457	7.7
91.65864	0.9
95.01391	1.3
96.96017	6.1
97.02955	2.3
99.00864	2.1
99.04552	2.0
101.02454	10.4
103.04043	1.6
109.02959	0.9
109.06653	1.1
113.02464	3.8
115.04015	1.9
116.92901	2.7
119.03497	1.2
125.02467	3.1
127.04028	2.3
131.03511	5.2
143.03532	3.2
145.05072	2.3
158.47034	1.1
163.11319	1.1
171.10291	3.0
192.77866	0.9
193.82915	1.1
197.11739	1.9
201.11324	1.0
205.07198	1.8
207.10260	1.6
209.11844	2.9
211.13438	2.3
225.11418	3.4
231.08841	1.6
247.08226	1.8
272.91806	1.1
289.18118	0.9
291.19708	2.7
309.20792	5.1
341.23331	3.8
345.56290	1.1
347.25888	2.7
352.36554	0.9
397.13742	5.3
415.14410	2.0
771.42157	9.9
772.42529	2.1
897.52454	45.4
898.52740	11.7
933.50079	100.0
934.50354	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	931.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.3
71.01386	12.8
71.05025	1.0
71.70625	1.0
71.71036	1.5
72.99310	3.4
73.02958	5.5
75.00879	3.6
83.01397	2.6
83.05038	1.4
85.02959	16.9
87.00887	4.6
89.02467	5.4
91.31632	0.8
95.85377	0.8
96.96052	0.8
97.02966	2.1
99.00874	1.4
99.04540	1.7
101.02466	11.1
103.04021	0.9
107.21214	0.9
109.02975	1.1
111.08139	0.9
113.02486	2.9
115.00366	3.2
116.92866	0.8
125.02473	1.4
125.09758	1.1
127.04037	2.5
131.03537	4.9
143.03465	1.4
143.39102	0.9
145.04979	1.0
163.11365	1.0
169.12349	1.3
171.10280	3.0
175.02460	2.6
179.10808	1.1
185.11807	0.9
196.85779	0.8
197.11838	19.5
198.12140	1.0
204.99295	0.9
207.10233	0.9
209.11864	3.9
211.13470	4.8
225.11258	1.7
253.09201	2.9
289.18054	1.4
291.19760	2.2
309.20859	5.2
321.21344	0.8
325.58591	0.9
327.21619	1.1
397.13419	2.1
791.41376	1.0
813.43274	3.1
895.50928	50.2
896.51160	14.6
931.48145	100.0
932.48346	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	931.53
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41603	0.3
67.01882	0.3
68.99817	0.5
69.03456	1.9
71.01390	20.5
71.70988	0.3
72.99309	2.8
73.02955	9.3
75.00879	1.2
81.03484	1.4
83.01398	3.4
83.05013	0.3
84.01650	0.3
85.02960	39.2
86.00110	1.3
86.03280	0.4
87.00890	8.1
87.04527	5.7
88.98819	0.5
89.02457	7.4
92.37553	0.3
95.01393	1.2
96.96032	0.4
97.02956	2.0
99.00898	1.2
99.04539	2.7
101.02454	9.7
102.02778	0.4
103.04015	1.5
109.02963	1.1
111.00919	0.5
112.01723	0.3
113.02463	3.2
115.04040	2.0
116.92872	0.6
119.03504	0.8
119.05027	0.6
123.04516	0.3
125.02464	1.2
127.04023	2.6
131.03520	4.8
137.02538	0.4
143.03534	4.6
145.05103	1.7
149.02466	0.4
160.45827	0.3
161.02451	0.7
165.05540	0.4
167.03543	0.4
167.04962	0.3
175.04057	0.4
205.07114	1.7
209.11804	1.2
211.07597	1.1
211.13441	0.7
225.11461	0.3
231.08743	1.2
247.08197	0.8
337.07416	0.5
339.08847	0.6
343.29956	0.6
351.13116	0.5
355.30176	0.5
375.29199	0.5
397.13531	0.4
400.95706	0.3
443.35349	0.5
459.34686	1.7
489.36224	0.4
507.36908	6.2
508.37054	0.9
621.40356	6.0
622.40607	1.3
639.41254	7.9
640.41663	1.3
644.55945	0.4
751.31360	0.4
767.45917	2.2
785.47455	1.0
931.53021	100.0
932.53375	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	929.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43558	0.4
69.03470	1.1
70.61867	0.4
71.01389	19.1
71.05014	0.5
71.05351	0.9
72.99330	1.1
73.02953	3.0
75.00886	1.3
79.66034	0.4
81.03484	0.8
83.01384	2.3
85.02969	4.2
87.00884	4.2
89.02459	14.1
89.02998	0.9
91.04031	0.5
93.03522	0.5
95.01417	1.3
97.02982	2.0
97.64107	0.5
99.00907	1.0
101.02455	14.9
113.02469	8.4
114.85387	0.4
119.03524	2.3
121.02943	0.7
125.02473	6.5
133.05098	0.5
139.04039	0.5
143.03534	2.9
161.04567	3.0
165.05608	0.6
167.14423	0.7
173.37224	0.5
179.05602	4.3
183.13905	7.4
184.14273	0.5
193.12357	1.8
199.06203	0.5
211.13411	100.0
212.13737	7.0
221.06691	1.8
234.02112	0.4
235.08206	6.0
249.65669	0.5
259.08405	0.5
277.21725	58.5
278.22079	6.8
287.07855	1.7
291.23172	0.6
305.08856	2.5
319.10120	0.5
323.09799	1.7
379.07898	0.8
379.12469	12.2
380.12891	0.9
397.13541	45.1
398.13904	4.1
415.08981	0.5
415.14597	8.9
415.19727	0.3
416.14603	0.7
591.26453	7.4
592.26715	0.9
609.27740	5.4
610.28461	0.6
618.38702	0.7
657.35223	2.5
675.36096	4.6
676.36517	1.3
869.49109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.514
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.3
69.03461	1.0
69.26323	0.3
70.85889	0.5
71.01389	81.7
72.01728	1.4
72.99319	10.2
73.02953	6.5
75.00874	1.4
81.03468	0.4
83.01398	7.2
83.05002	0.5
84.02183	0.7
85.02963	28.1
86.00104	1.3
86.03297	0.8
87.00887	5.8
87.04510	1.4
88.98817	0.3
89.02457	62.7
90.02795	1.1
95.01402	5.1
97.02969	0.9
99.00880	1.8
99.04533	0.9
101.02458	51.1
102.02790	1.4
103.04047	0.8
109.02996	0.3
111.00922	0.6
111.54781	0.3
112.01665	0.3
113.02467	25.7
114.02820	0.7
115.04057	0.4
115.92451	0.2
116.92899	0.4
119.03521	21.8
120.03864	0.6
125.02476	1.6
127.04025	1.3
131.03525	17.1
132.02229	0.6
132.03860	0.5
133.02988	0.5
134.03789	1.0
135.04507	0.3
139.00389	0.3
143.03532	5.2
145.05075	0.7
149.04582	1.9
160.01711	1.6
161.02509	2.0
161.04568	4.3
163.06139	0.4
175.02654	0.4
175.03954	1.3
179.05630	14.4
180.05998	0.5
193.05109	0.6
205.07201	0.4
206.58276	0.3
209.11880	1.2
211.07745	0.6
211.13457	0.5
217.01451	0.4
227.12999	0.3
231.08601	0.5
247.08485	0.3
270.25604	0.3
287.42404	0.3
291.10703	0.3
321.08945	0.3
337.07001	0.6
355.26480	0.4
383.29684	0.8
457.11298	0.5
471.34811	8.2
472.35159	1.3
603.39032	2.5
749.45129	28.9
750.45270	6.5
767.47528	0.6
783.45258	0.3
787.41650	1.2
829.42725	0.5
885.45721	0.9
886.44617	0.3
899.40588	0.3
912.50616	0.4
929.51477	100.0
930.51788	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	929.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03968	0.3
65.29545	0.3
67.01880	0.4
68.99829	0.6
69.03458	4.4
70.86726	0.9
70.87082	0.3
71.01385	62.0
71.05027	2.0
72.01714	1.0
72.99313	9.4
73.02950	29.4
74.03273	0.5
75.00875	3.0
81.03458	3.5
83.01392	7.3
83.05034	1.8
84.02165	0.6
85.02959	97.6
86.00108	3.6
86.03301	1.5
87.00887	16.6
87.04523	8.8
88.98820	3.7
89.02454	20.3
91.49818	0.3
95.01398	3.2
95.05029	2.3
97.02972	4.7
99.00887	3.8
99.04523	6.8
101.02456	44.5
101.06089	1.1
102.02784	0.9
103.04023	6.7
109.02964	3.7
111.00912	0.8
111.04523	1.7
112.01692	1.1
113.02460	9.4
113.06103	2.7
115.04038	4.8
119.03507	3.8
119.05051	0.9
123.04529	0.7
125.02459	3.3
127.04029	10.9
129.01959	0.5
129.05603	1.9
131.03522	28.6
131.78653	0.4
132.03870	0.4
133.02982	1.7
134.03772	1.0
135.04570	1.2
137.02449	0.7
143.02402	0.5
143.03516	8.2
144.03816	0.4
145.02957	0.5
145.05087	4.1
149.02452	0.7
149.04622	0.5
149.06056	0.4
150.03220	0.7
153.02019	0.4
153.05699	0.3
158.94524	0.4
159.03148	0.4
160.01651	0.8
161.02452	3.4
161.04582	0.9
161.06119	0.3
161.08235	0.6
162.02934	0.4
163.04015	0.5
163.06143	1.4
164.04779	0.6
165.05588	0.8
175.02544	0.4
175.03979	1.2
179.03558	0.5
179.05609	1.3
187.06158	0.4
190.02785	0.6
191.07202	0.4
193.04991	0.8
195.06720	0.4
204.06526	0.4
205.05086	1.0
205.07175	3.9
209.11790	1.8
210.12184	0.7
223.06125	0.5
229.06987	0.4
231.08772	3.5
235.06059	0.7
241.41591	0.3
247.08177	4.2
265.07120	0.9
277.09732	0.5
291.10825	1.9
327.23431	0.9
329.24893	1.1
337.07211	0.5
343.26407	1.5
353.24783	0.4
355.26450	2.9
356.26617	0.5
357.28021	0.4
369.28009	1.3
373.27359	0.8
379.26505	0.8
381.27994	1.8
397.27362	0.4
399.29007	2.8
411.28671	0.3
429.30017	0.4
451.32343	0.7
453.29736	0.4
457.11554	0.6
475.30222	0.4
479.29880	1.5
487.34036	1.3
489.35898	1.7
495.29962	0.5
501.31873	0.6
505.35297	0.4
513.32025	0.6
523.28790	1.1
531.33429	0.7
583.36865	0.8
619.38428	0.6
621.39752	0.6
625.36053	27.7
626.36371	5.3
631.28076	0.6
637.39655	0.7
663.18866	0.5
734.84534	0.4
747.43536	0.5
765.44800	5.4
766.45190	1.4
783.45740	6.7
784.46283	1.8
787.41138	3.1
788.42395	0.7
823.45135	0.9
841.46027	0.4
885.41193	0.9
893.49915	2.8
894.50122	0.6
899.50171	0.6
900.50055	0.5
911.50354	69.5
912.50677	21.9
929.51459	100.0
930.51740	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	929.5139
Annotation	Gypenoside XXV
Peak:m/z	Relative Intensity
68.99837	0.4
69.03465	0.6
71.01387	85.7
71.05023	0.3
72.01713	1.2
72.99316	11.3
73.02952	5.1
73.63628	0.2
75.00886	0.8
81.03471	0.6
83.01397	5.7
83.05045	0.3
84.02191	0.8
85.02962	25.3
86.00088	1.1
86.03306	0.4
87.00884	4.5
87.04505	1.2
88.98824	0.4
89.02456	68.9
90.02790	1.0
95.01402	5.6
97.02958	0.9
98.20686	0.4
99.00885	1.1
99.04536	1.0
101.02457	54.6
102.02795	1.1
103.04004	0.3
109.03009	0.5
111.00912	0.5
113.02467	26.0
114.02817	0.7
115.04026	0.5
119.03522	22.6
120.03867	0.5
125.02483	1.1
127.04044	0.7
131.03526	18.9
132.03882	0.4
134.03754	0.6
135.04520	0.3
140.42068	0.2
141.81163	0.2
143.03516	5.5
145.01454	0.6
145.05101	0.4
149.04564	2.3
160.01695	0.7
161.02524	0.4
161.04582	4.9
165.05560	0.3
175.04033	0.5
179.05630	15.7
180.05978	0.3
193.05133	0.7
209.11896	0.7
211.13367	0.3
230.02327	0.4
321.23065	0.3
337.07257	0.4
383.29446	0.8
383.65912	0.3
432.79599	0.3
457.11438	0.4
471.34808	9.8
472.34903	1.5
530.34424	0.3
603.38879	2.4
604.39758	0.5
749.45160	34.9
750.45502	8.9
750.59430	0.4
767.46100	0.8
769.56915	0.3
787.42041	1.1
885.45691	0.4
929.51404	100.0
930.51715	29.5
956.97974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.8
68.99833	0.7
69.03461	1.2
69.10973	0.1
71.01389	50.6
71.05025	0.2
71.28951	0.3
72.01721	0.6
72.99313	8.0
73.02953	14.2
74.03284	0.2
75.00895	0.8
77.91027	0.2
81.03468	0.7
83.01398	14.7
83.05049	0.3
84.01731	0.3
84.02187	0.5
85.02962	38.4
86.00106	2.6
86.03311	0.4
87.00889	3.3
87.01424	0.3
87.04531	0.6
87.08600	0.1
88.98817	0.2
89.02457	15.8
95.01397	3.8
97.02972	1.6
99.00904	3.9
99.04525	0.8
100.27012	0.2
101.02459	50.5
102.02778	1.0
109.02956	0.5
111.00904	0.5
112.01685	1.0
113.02469	17.7
114.02789	0.3
115.04044	0.5
118.05169	0.2
119.03528	5.2
120.03896	0.2
125.02490	0.8
127.04053	0.7
129.01982	0.3
131.03526	30.4
132.03873	0.6
143.03545	1.6
145.05038	0.4
149.04546	0.2
159.03014	0.9
161.02496	0.3
161.04584	4.1
163.06183	0.7
179.05620	1.8
198.49734	0.2
209.11929	0.3
211.13417	0.3
278.35800	0.2
397.97327	0.2
404.18021	0.2
429.30042	0.5
454.57941	0.2
485.32602	0.5
557.34906	0.2
583.36414	0.7
619.38617	2.5
620.39392	0.4
663.37720	0.6
680.37592	0.2
765.44635	64.0
766.44977	13.3
781.44110	4.6
782.43848	0.8
783.47046	0.2
927.49860	100.0
928.50214	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	927.5344
Annotation	Ritterazine J
Peak:m/z	Relative Intensity
67.01891	0.4
68.99837	0.4
69.03462	2.5
71.01389	34.9
71.05024	1.3
72.01720	0.6
72.99315	4.1
73.02955	22.5
75.00885	3.0
81.03467	2.3
82.04674	0.2
83.01398	6.7
83.05047	0.6
84.02181	0.4
85.02962	52.9
86.00119	1.5
86.03326	1.0
87.00888	10.2
87.04521	2.7
88.01217	0.3
89.02461	4.9
95.01399	2.5
95.05007	0.2
97.02972	3.6
99.00894	4.0
99.04536	7.3
100.04903	0.2
101.02460	25.8
102.02781	0.5
109.02983	2.2
111.00890	0.9
111.04508	0.2
112.01679	0.3
113.02472	10.9
114.02830	0.2
115.00418	0.2
115.04034	2.5
119.03523	1.2
119.05109	0.3
123.04504	0.2
125.02464	3.8
125.58929	0.2
127.04041	6.5
128.04404	0.2
129.01968	0.8
131.03520	4.6
133.02995	0.2
137.02507	0.4
139.45180	0.2
143.03526	5.1
145.01468	0.2
145.03206	0.2
145.05096	3.1
151.04042	0.3
159.03011	0.7
161.02470	0.6
161.04565	2.0
163.06178	1.5
173.00902	0.2
175.02455	0.3
205.07176	1.7
209.11795	0.6
209.15604	0.3
211.13460	0.4
229.07205	0.5
230.07138	0.3
231.08725	2.0
245.06509	0.2
247.08252	3.6
249.09850	0.2
273.09698	0.3
291.10858	3.2
291.16000	0.2
292.11420	0.2
296.02582	0.2
304.69080	0.2
345.21039	0.2
351.13034	0.8
356.75076	0.2
473.36456	1.9
474.37213	0.3
635.41693	1.2
679.38818	0.7
692.63977	0.2
706.78571	0.2
763.46777	0.8
765.44635	1.9
766.45044	0.8
781.47528	5.3
782.47766	1.5
785.43140	0.6
786.44269	0.3
927.53339	100.0
928.53674	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	927.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	1.0
67.60751	0.1
68.99830	0.4
69.03457	0.8
71.01387	47.3
71.05027	0.2
71.71165	0.2
72.01723	0.7
72.99313	6.2
73.02954	11.9
74.03282	0.2
75.00874	0.6
79.52298	0.1
81.03463	0.5
82.52893	0.1
83.01396	12.2
83.05021	0.2
84.01722	0.2
84.02205	0.3
85.02961	34.2
86.00108	2.1
86.03304	0.6
87.00375	0.3
87.00883	3.4
87.04530	0.3
89.02455	11.9
90.02806	0.2
90.27103	0.1
95.01401	4.6
97.02979	2.0
99.00900	4.6
99.04533	0.7
99.05102	0.1
101.02458	42.4
102.02802	0.8
109.02950	0.7
111.00903	0.3
112.01690	1.4
113.02469	18.6
114.02802	0.4
115.04003	0.3
115.32600	0.1
115.76974	0.1
119.03522	3.6
125.02467	0.9
127.04026	0.9
129.01941	0.5
131.03525	23.6
132.03842	0.7
139.00441	0.2
139.81210	0.1
143.03532	1.2
145.05096	0.5
145.78073	0.1
149.04544	0.2
157.64285	0.1
159.03021	1.2
161.04584	5.1
163.06126	0.3
175.04016	0.2
179.05638	1.1
205.03590	0.2
205.07175	0.2
209.11781	0.3
211.13489	0.1
285.67892	0.1
286.78918	0.2
291.11185	0.1
321.88715	0.1
336.17783	0.1
393.22964	0.2
411.29193	0.2
429.30057	0.5
485.32797	0.5
529.35583	0.2
557.34631	0.4
583.36377	0.4
619.38647	1.8
620.39038	0.2
663.37140	0.3
765.44617	26.7
766.44897	5.4
781.44128	9.6
782.44446	1.7
927.49915	100.0
928.50238	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	923.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.1
71.01392	17.0
72.99306	1.6
73.02958	2.5
75.00879	0.8
80.02704	0.7
80.96530	1.2
81.03471	1.3
83.01406	1.9
83.05051	4.7
85.02963	3.6
87.00452	0.6
87.00875	3.8
88.10770	0.7
88.98830	3.7
89.02457	11.3
95.01398	1.7
95.05037	0.9
97.02973	2.6
99.00912	1.0
100.41514	0.9
101.02452	11.7
113.02476	7.3
119.03542	3.7
125.02470	5.6
131.03554	1.1
139.04109	0.8
143.03516	2.9
147.30084	0.7
161.04555	2.6
163.11343	3.0
165.12860	2.5
179.05675	4.2
197.11919	1.0
209.11855	100.0
210.12209	6.0
217.74702	0.7
221.06793	1.7
227.12910	14.7
228.13162	1.2
235.08220	5.2
253.21823	0.7
255.23305	55.2
256.23636	4.2
259.08194	1.1
281.24625	1.0
287.07767	2.5
305.08829	1.9
323.09717	1.4
345.76138	0.8
379.12460	11.5
380.12933	1.5
397.13556	40.1
398.13831	3.6
415.14587	8.8
469.33356	0.8
589.25177	2.9
607.25995	3.7
635.36609	2.2
653.37762	4.3
690.97321	0.8
717.44147	1.2
923.43573	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	926.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
83.75702	30.6
89.02435	25.2
101.09090	25.9
114.29556	22.9
120.05971	24.0
179.61536	25.0
201.56389	21.7
209.11882	100.0
210.12224	45.9
227.12946	28.5
229.84732	25.1
244.70012	22.0
246.49658	24.7
255.23317	48.9
269.97018	24.5
328.09735	27.9
358.63968	26.5
397.13785	44.1
469.33142	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	918.51
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	73.9
71.03965	14.3
73.02931	6.2
79.19358	4.6
83.01411	7.2
83.05046	5.0
85.02974	11.4
87.00901	8.6
89.02466	20.2
97.02982	8.5
101.02470	26.0
108.80420	4.2
109.06615	8.9
113.02471	14.6
116.92884	6.8
119.03550	7.1
119.05049	5.0
125.02489	11.6
143.03572	5.4
161.04597	10.8
171.10294	100.0
172.10538	5.3
179.05623	8.2
185.11879	5.2
188.19769	5.7
191.14424	6.6
197.11903	8.1
199.13440	7.1
201.11273	10.9
207.10323	13.5
209.11839	43.3
210.12204	6.5
211.13440	8.4
219.69080	4.5
223.13461	5.7
225.11359	22.3
227.12894	11.0
235.08391	5.1
245.19173	12.6
289.18100	36.3
291.19659	9.3
292.19977	7.1
293.21347	24.4
294.21567	10.6
307.19055	48.7
309.20667	18.9
310.21103	16.3
327.21860	7.6
328.22049	7.2
354.95099	5.1
379.12115	7.9
397.13593	60.3
398.14105	6.7
410.10352	4.3
411.06763	4.9
415.14618	22.8
487.30588	7.8
918.48639	13.0
919.48102	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	921.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35034	1.2
69.50154	12.9
71.01395	19.2
72.28463	1.2
80.31134	1.3
81.03481	1.7
83.01395	1.8
83.05031	1.9
85.02950	4.7
87.00886	3.1
89.02458	11.1
97.02937	1.6
98.17272	1.3
98.19841	1.4
98.33414	1.4
101.02462	10.9
103.92864	1.4
111.51783	1.2
113.02477	6.8
116.92896	4.4
119.03490	4.0
125.02448	6.7
142.62044	1.1
143.03551	2.2
161.04568	3.6
163.11314	3.6
165.12880	2.1
179.05606	5.9
179.06992	1.3
209.11850	100.0
210.12140	8.0
227.12930	30.0
228.13235	1.6
231.45775	1.3
235.08206	3.5
277.21756	60.4
278.22110	5.8
287.07831	2.1
305.08911	1.6
309.93863	1.3
323.09753	2.0
379.12473	18.4
380.12689	2.6
389.70230	1.4
397.13556	69.0
398.13855	7.3
415.14517	13.6
535.40112	1.8
589.25317	7.2
602.54907	1.5
607.25958	4.8
657.35181	4.0
675.36682	9.0
698.15027	1.8
867.47711	3.2
885.48590	1.9
921.46466	41.4
922.46033	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	917.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	0.5
71.01387	12.4
71.71451	0.4
72.99305	1.0
73.02935	1.8
75.00876	1.1
78.91891	0.9
78.95892	0.4
80.02690	1.0
80.96517	0.4
81.03455	1.6
83.01387	1.6
83.05032	4.9
84.02158	0.7
85.02964	3.8
85.74903	0.4
86.03339	0.5
87.00889	3.2
89.02461	10.5
92.77533	0.3
95.01409	1.0
95.05035	0.7
97.02982	2.2
99.00900	0.7
101.02454	9.7
101.03082	0.5
109.02970	0.4
109.06628	0.3
111.00907	0.5
113.02466	6.4
116.93002	0.3
119.03500	2.3
125.02479	4.6
125.06113	0.3
129.01952	4.2
130.02267	0.6
131.02533	0.3
131.03539	0.6
135.03020	2.1
135.08174	0.6
139.04056	0.5
141.01909	0.4
143.03574	1.6
161.04576	2.8
163.11310	2.9
165.12851	2.3
175.02504	0.5
179.05640	3.6
181.12367	0.8
191.10789	1.1
199.06129	0.4
207.10312	0.4
209.11842	100.0
210.12184	6.2
217.07259	0.4
221.06680	1.4
227.12886	10.2
228.13094	0.6
235.08243	4.9
251.12923	0.7
253.09286	0.8
259.08252	0.6
277.21722	42.4
278.22067	4.1
287.07700	1.4
305.08792	2.1
306.78708	0.4
314.76642	0.4
323.09973	0.9
379.12482	9.6
380.12610	0.7
389.60028	0.5
397.13535	34.8
398.13739	2.4
415.14587	7.6
416.14890	0.7
589.24915	2.3
607.26080	3.2
657.35120	0.8
675.36432	1.0
917.46136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99249	2.1
68.53587	1.1
71.01391	16.3
71.70630	2.1
71.71001	1.4
72.99310	2.6
73.02950	5.2
75.00850	2.1
75.16676	1.1
79.01585	1.2
80.96521	3.3
83.01374	2.3
83.05051	1.3
85.02972	17.8
87.00871	4.6
89.02454	6.1
96.96024	1.6
97.02958	3.7
99.00937	1.6
99.04507	1.5
101.02467	12.8
109.02982	1.5
111.08154	1.5
113.02458	3.7
116.92867	5.7
119.03551	2.1
125.02439	4.2
131.03494	5.6
143.03499	3.2
157.73631	1.3
161.04521	1.5
171.10313	2.8
183.13905	1.9
197.11858	2.8
199.13406	3.1
205.07164	1.8
209.11771	10.2
211.13393	5.6
225.11191	1.5
227.12914	5.8
247.08141	1.9
289.18256	1.9
291.19717	4.2
293.21243	4.2
309.20807	12.6
321.08893	3.6
322.09216	1.8
323.09589	1.7
331.26379	3.0
340.10385	1.5
397.13559	7.4
399.15149	1.2
403.43494	1.3
407.16531	1.3
415.14551	2.4
609.36810	1.7
755.42578	23.5
756.43280	3.5
863.52161	2.7
881.53119	26.8
882.53497	7.3
917.50482	100.0
918.50818	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	917.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.3
71.00993	0.8
71.01386	16.6
72.99304	1.7
73.02956	2.2
73.38570	0.3
75.00891	0.8
80.02682	0.5
81.03479	1.5
83.01395	2.2
83.05032	5.0
84.02180	0.7
85.02960	3.9
87.00892	4.6
88.32368	0.3
89.02451	11.8
95.01396	1.2
95.05000	0.6
97.02975	3.1
99.00907	0.8
101.02463	12.6
109.02994	0.4
111.04499	0.6
113.02464	7.6
115.00454	0.4
117.21262	0.4
119.03512	3.1
125.02467	6.0
125.06145	0.4
129.01976	1.1
130.02234	0.4
131.03505	0.6
135.03035	0.5
135.08167	0.6
139.04063	0.6
141.01926	0.4
142.99908	0.6
143.03535	2.1
154.28989	0.4
161.04582	2.9
163.11301	4.2
165.12831	2.0
167.03528	0.6
174.01750	0.8
175.02606	0.6
179.05586	3.7
181.12344	0.4
191.10806	1.2
201.11273	0.6
209.11844	100.0
210.12157	5.8
211.13383	1.4
217.07164	0.9
221.06590	0.9
222.30583	0.4
227.12904	12.3
228.13232	0.8
229.51178	0.4
235.08229	4.8
253.09306	0.7
259.08163	0.5
259.15521	0.6
263.07663	0.5
277.21732	55.8
278.22025	4.2
287.07700	1.4
291.23474	0.4
305.08823	2.5
323.09872	1.2
343.10599	0.4
379.12500	10.0
380.12888	1.3
397.13528	45.1
398.13882	4.2
415.14606	9.5
416.14822	0.8
589.24915	2.2
589.58167	0.4
590.25183	0.5
607.26190	2.1
657.34955	0.7
675.36249	2.0
676.35748	0.5
707.44226	0.6
917.48370	0.8
945.60217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	0.4
68.99809	0.3
69.03464	1.7
70.27583	0.7
71.01389	16.6
71.05031	0.4
72.01729	0.3
72.99328	1.3
73.02953	2.4
75.00884	0.5
80.02677	1.4
81.00826	0.2
81.03457	2.5
83.01397	1.8
83.05038	6.0
84.02181	1.0
85.02443	0.2
85.02967	4.3
87.00883	3.6
87.04520	0.2
89.02456	12.9
90.02822	0.3
93.03478	0.5
95.01412	1.3
95.05054	1.2
96.96042	0.3
97.02968	5.1
97.06606	0.6
98.03262	0.2
98.03806	0.2
99.00883	0.9
101.02459	12.9
102.02802	0.2
109.02991	0.4
109.06598	0.8
111.00915	0.4
111.04540	0.5
111.08181	4.1
113.02464	7.0
113.06111	0.2
114.02787	0.3
115.04025	0.2
116.92886	0.3
119.03522	3.3
119.08646	0.3
121.03020	0.4
121.06659	0.2
121.47460	0.2
123.04574	0.2
123.08179	0.4
125.02466	5.3
125.06145	0.8
125.09725	0.9
127.07680	0.4
127.11347	0.2
131.03551	0.8
133.05075	0.4
135.04562	0.2
135.08209	1.0
137.09749	1.0
139.04025	0.3
141.01987	0.4
143.03539	2.2
143.04625	0.3
147.11821	0.2
148.90181	0.2
149.04568	0.5
151.11316	0.4
153.09248	0.2
153.12868	0.6
161.04593	3.4
163.11298	5.4
164.11626	0.4
165.09221	0.3
165.12877	4.7
166.09933	0.2
166.13312	0.3
167.03589	0.2
167.10817	0.3
167.14417	0.2
169.12369	1.8
171.10281	3.3
177.12892	0.2
179.05638	4.3
179.10835	0.3
179.14438	0.4
181.12341	1.7
183.13907	0.9
185.04550	0.2
185.11926	0.3
191.10776	1.4
191.14441	0.2
193.12360	0.7
193.15990	0.3
195.13931	0.4
197.11848	20.4
198.12204	1.3
199.06111	0.3
199.13396	1.5
207.10303	0.7
209.11845	100.0
210.12190	6.0
210.14194	0.3
211.13416	4.3
212.13725	0.3
217.07237	0.5
219.05066	0.3
221.06664	2.2
221.11948	0.3
223.13370	0.6
225.11389	0.9
226.11711	0.2
227.12895	14.4
228.13156	1.0
233.11510	0.2
235.08226	4.8
236.08684	0.2
245.06624	0.3
245.19116	0.2
247.20679	1.9
251.12859	0.5
253.09277	1.0
253.14212	0.2
259.08142	0.3
263.07745	0.4
263.20053	1.4
265.18124	0.5
273.18604	1.2
277.09402	0.2
287.07724	1.5
291.19656	24.1
292.19980	2.5
293.21182	1.3
294.21515	0.3
305.08807	2.0
309.20721	77.7
310.21060	7.4
323.09836	1.2
325.20212	0.5
333.20517	0.4
334.21161	0.2
351.21796	0.3
379.12476	3.8
380.13052	0.3
397.13531	38.5
398.13916	3.0
415.14590	13.6
416.14874	1.2
462.28854	0.2
501.32263	0.6
502.32028	0.2
513.27332	0.2
519.33136	0.3
534.33167	0.2
589.25061	0.5
595.26251	0.4
607.26050	2.6
608.26434	0.4
625.27234	0.4
689.34192	1.4
707.35120	2.1
708.35602	0.4
882.78064	0.2
899.46936	0.4
917.48059	0.6
918.47260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86208	12.7
69.48306	100.0
71.01382	45.1
73.57032	12.1
79.58130	15.8
85.02945	19.5
89.02445	15.7
96.96027	41.1
101.02479	19.4
107.07372	14.7
113.02457	26.1
114.93462	15.8
116.92840	30.0
125.02470	22.2
125.09724	16.0
171.10295	17.7
197.11823	16.2
207.10345	29.3
209.11832	57.6
211.13377	22.5
225.11464	32.4
227.12836	25.1
227.35706	13.9
291.19559	26.9
293.21234	23.7
307.19110	19.5
309.20703	51.1
327.21729	29.0
397.13434	37.8
415.14560	21.3
455.27869	27.0
456.28436	31.1
916.46259	60.4
917.47528	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01919	0.3
69.03469	1.4
71.01387	16.7
71.05019	0.5
71.71284	0.4
72.01723	0.4
72.99319	3.1
73.02952	10.8
74.03302	0.4
75.00889	1.3
80.02705	0.3
81.03466	2.0
83.01392	2.7
83.05032	1.0
85.02960	32.6
86.00108	1.6
86.03311	1.9
87.00884	6.9
87.04522	4.4
88.01217	0.3
89.02456	5.4
92.49024	0.3
95.01401	0.6
97.02975	1.7
99.00884	1.0
99.04523	2.3
101.02457	13.1
102.02759	0.5
103.04014	2.0
109.02972	1.3
109.06619	0.9
111.00888	0.5
111.04514	0.3
113.02457	2.5
115.04031	1.4
116.92886	0.8
117.92944	0.3
119.03526	1.2
125.02439	1.6
125.79421	0.3
127.04012	2.6
131.03525	5.6
132.03879	0.4
143.03506	2.8
143.18414	0.3
145.05089	1.4
158.08208	0.3
161.04530	0.3
163.06201	0.5
163.11299	0.6
165.12819	0.4
171.10243	0.4
179.05618	0.4
197.11765	0.4
205.07123	1.3
207.10272	1.1
209.11844	7.6
210.12161	0.7
211.13463	0.7
225.11328	1.0
227.12895	0.9
231.08774	1.0
235.08220	0.4
247.08266	1.1
289.18091	5.4
290.18387	0.4
291.10931	0.4
291.19629	0.5
307.19153	0.7
309.20651	0.6
340.34299	0.2
356.53174	0.3
397.13486	3.3
398.13559	0.4
401.91718	0.3
415.14548	1.1
473.36896	0.3
491.37357	4.1
492.37817	0.7
605.40594	2.1
606.40729	0.4
623.41864	3.4
624.42126	0.4
751.46637	1.5
752.47064	0.4
769.47473	2.3
770.48218	0.6
897.45520	0.6
898.45764	0.4
914.53101	1.6
915.53369	100.0
916.53815	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	915.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.4
67.37365	0.1
69.03454	0.3
71.01383	0.9
71.72094	0.2
72.99308	0.5
73.02958	0.3
83.01402	0.9
85.02966	0.4
89.02444	0.2
93.03469	0.3
95.01393	1.0
99.00889	0.4
101.02482	0.8
103.00383	0.2
107.01414	0.7
108.02187	0.3
109.02966	0.6
111.00886	0.3
113.02470	1.2
116.05082	0.9
119.05051	0.2
121.02983	0.5
124.01653	0.2
125.02441	0.9
130.06618	0.4
133.02940	0.3
135.04613	0.2
136.42537	0.2
137.02446	0.1
139.00395	1.4
142.06647	6.5
144.04585	0.3
147.04556	1.4
149.02470	0.2
151.00389	3.7
153.01944	0.3
157.01477	0.2
158.06120	2.0
161.02466	0.3
161.04582	0.4
163.00372	1.2
163.03979	0.2
165.05582	1.0
166.05954	0.2
169.01443	0.7
174.03223	0.2
175.04024	0.4
177.01851	0.2
178.99881	3.2
184.07660	0.5
186.05603	3.9
187.04068	0.2
187.07622	0.2
188.04796	0.4
189.05595	0.2
190.02628	0.4
190.99875	0.3
191.03448	0.2
193.01530	0.2
198.03178	0.4
199.04031	0.3
201.05643	0.2
203.03607	0.2
203.12817	0.9
204.06659	9.1
205.07059	0.2
207.06662	0.9
211.04007	0.3
215.03458	0.2
216.04259	0.4
226.02747	3.0
227.03444	1.3
227.12936	0.3
228.04419	0.2
228.06639	1.8
229.03342	0.4
239.80089	0.2
243.02977	7.8
244.03436	0.7
245.04405	0.4
246.07707	4.4
246.67703	0.2
247.04558	0.8
254.02206	3.7
255.02946	6.6
256.03549	0.4
271.02463	39.4
272.02921	4.1
273.03873	0.5
285.03970	0.2
288.08865	0.7
299.02112	0.3
300.02756	52.1
301.03455	15.3
302.03876	1.1
314.06772	0.5
318.09866	0.7
319.04794	0.2
323.82208	0.2
343.04517	0.6
344.07901	1.1
348.10858	0.4
415.56183	0.2
451.18362	0.2
452.12097	1.7
463.08798	100.0
464.09146	11.6
464.18835	0.3
758.31897	0.2
833.50696	0.2
855.37555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05159	0.2
70.36063	0.8
71.01394	0.3
72.99314	2.0
74.18385	0.2
83.01408	0.2
85.02991	0.3
93.03487	0.2
93.12331	0.2
107.01440	0.5
111.00931	0.2
115.07684	0.3
116.05084	3.7
117.05461	0.3
123.00871	0.2
128.05074	1.3
130.06653	1.8
132.04590	0.5
135.04469	0.4
137.02339	0.2
140.05072	0.3
142.06647	100.0
143.06990	5.8
144.04572	0.6
145.02933	0.3
150.03220	0.9
151.00389	0.9
158.06139	12.4
159.06480	0.7
161.02489	0.8
165.05598	0.7
172.04062	0.7
175.04138	0.2
179.03542	0.3
186.05624	41.4
187.05981	3.0
187.07593	0.2
193.04863	0.3
195.06729	0.2
199.04024	0.8
200.57867	0.2
201.01945	0.2
204.06674	65.9
205.05164	0.4
205.06998	3.8
209.26466	0.2
215.03577	0.2
227.03502	1.1
228.03944	0.2
242.02220	0.6
243.02985	5.6
244.03598	0.6
246.07709	42.9
247.08052	3.5
254.02301	0.3
255.02995	3.6
256.03329	0.6
257.04578	1.3
259.06104	0.3
261.52774	0.2
262.15945	0.2
270.01697	0.8
271.02481	10.6
272.03101	1.6
284.03235	0.2
285.04028	2.0
286.04684	0.6
287.05499	0.5
299.01990	10.1
300.02737	9.1
301.03015	0.9
314.04330	13.2
315.05099	24.1
316.05426	2.4
357.06192	0.4
365.14459	0.4
427.16269	0.3
623.16302	47.9
624.16644	8.8
624.26831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76516	0.1
67.01875	0.2
68.99802	0.1
69.03465	0.3
69.42352	0.6
69.42779	0.4
71.01389	16.2
72.01752	0.1
72.99311	2.7
73.02955	4.8
75.00883	0.3
75.32986	0.1
81.03479	0.2
83.01402	3.0
85.02961	12.2
86.00101	0.9
86.03322	0.3
87.00882	0.8
87.04517	0.2
88.98816	0.1
89.02457	4.5
93.03471	0.3
95.01402	1.2
97.02959	0.5
98.20651	0.2
99.00897	1.4
99.04548	0.2
101.02460	18.9
102.02790	0.6
103.04026	1.6
108.02190	0.1
109.02953	0.2
111.00869	0.2
112.01675	0.3
113.02467	3.5
115.04066	0.2
116.92884	0.4
119.03521	1.5
119.05030	0.2
122.03743	0.1
123.08179	0.2
125.02477	0.3
127.04035	0.3
129.01939	0.1
131.03525	19.4
132.03871	0.4
133.02963	0.2
137.02443	0.2
141.09215	0.1
143.03510	0.5
145.03014	0.3
145.05159	0.2
149.02444	0.2
150.03241	0.1
159.03008	0.4
161.02457	0.4
161.04582	2.4
163.04025	0.2
163.06151	0.4
165.05560	0.2
179.05713	0.5
205.05054	0.2
209.11815	0.3
303.14505	3.8
303.17941	0.2
304.14841	0.3
329.24884	0.3
331.26428	0.3
337.07327	0.2
373.27393	0.2
377.57742	0.1
385.27475	0.2
401.26950	0.3
420.23572	0.1
426.30878	0.1
427.28372	0.2
463.30612	4.4
464.31430	0.5
507.29810	0.7
609.36572	100.0
610.36926	18.6
771.42346	0.3
789.79767	0.1
895.50665	0.2
913.52258	3.3
914.52234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.6
68.99835	0.2
69.03461	2.0
70.03759	0.2
71.01389	29.6
71.05038	1.0
71.70669	0.2
72.01727	0.4
72.99317	4.8
73.02955	18.4
74.03294	0.4
75.00496	0.2
75.00887	2.3
79.99406	0.2
81.03472	2.0
83.01398	4.4
83.05038	0.7
84.02177	0.5
85.02963	60.7
86.00107	2.6
86.03283	1.3
87.00889	11.5
87.04531	5.9
88.01247	0.3
88.04818	0.2
88.98802	0.2
89.02457	6.3
93.03467	0.4
95.01391	1.2
96.96019	0.3
97.02969	2.6
97.06578	0.4
99.00895	2.4
99.04533	4.2
101.02460	26.5
102.02803	0.5
103.04028	3.4
108.02170	0.2
109.02971	2.1
111.00887	0.4
111.04535	0.5
112.01692	0.6
113.02468	3.7
115.04034	2.4
116.92896	0.2
117.03510	0.2
119.03522	1.5
119.05052	0.7
123.04514	0.3
125.02457	1.4
127.04035	5.8
129.01949	0.5
131.03525	16.0
132.03831	0.4
133.02991	0.2
137.02449	0.4
139.04051	0.2
141.09251	0.8
143.03531	5.1
145.02910	0.5
145.05090	2.3
147.04608	0.3
149.02437	0.2
151.04080	0.2
161.02437	0.6
161.04703	0.2
163.06120	1.0
165.05579	0.7
173.52547	0.2
205.07182	2.3
209.11766	0.4
209.15601	0.3
210.12320	0.2
211.07692	0.2
211.13426	0.2
229.07249	0.3
231.08788	1.6
247.08252	2.6
249.09938	0.2
268.63806	0.2
291.10913	1.1
331.26440	1.1
337.07120	0.6
371.29813	0.4
373.31146	0.3
381.28079	1.1
383.29688	1.1
384.29932	0.2
397.13159	0.2
399.28937	0.2
401.30573	3.6
402.30853	0.6
453.33670	0.7
454.34128	0.2
455.31332	0.3
456.53552	0.2
457.11398	0.6
459.34930	1.3
462.95639	0.2
463.30499	0.3
469.32919	0.2
471.34763	2.4
472.35275	0.4
489.35831	0.3
533.34583	1.1
591.39172	0.3
603.39221	0.8
609.36548	1.9
610.36993	0.4
621.40082	0.5
625.36359	0.3
733.46576	0.2
749.44977	2.1
750.45544	0.4
751.46643	0.9
752.47559	0.2
767.46204	7.0
768.46399	1.4
771.41779	2.1
772.42487	0.5
883.50983	0.4
895.50964	17.7
896.51392	4.7
896.69092	0.2
913.51984	100.0
914.52295	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	913.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01903	0.3
67.62711	0.3
68.99821	0.3
69.03444	2.6
69.66340	0.6
69.66747	2.0
71.01386	27.8
71.05015	1.1
72.01720	0.7
72.99313	4.4
73.02950	16.8
74.03288	0.3
75.00898	2.2
76.16281	0.3
81.03468	1.7
83.01400	4.4
83.05038	0.7
84.02171	0.4
85.02959	57.5
86.00098	2.2
86.03298	1.4
86.75716	0.3
87.00887	10.0
87.04527	5.2
88.98814	0.5
89.02447	6.9
95.01392	1.5
95.04993	0.3
97.02961	2.7
99.00925	1.5
99.04530	5.1
101.02456	25.8
102.02808	0.6
103.04025	3.9
108.02169	0.3
109.02967	2.7
111.04507	0.4
112.01709	0.5
113.02449	2.9
115.04018	2.6
116.92898	0.5
119.03517	1.4
121.02929	0.4
125.02452	1.8
125.09740	0.4
127.04031	5.7
129.01978	0.4
131.03520	16.2
132.03882	0.5
143.03517	4.1
145.02878	0.4
145.05116	2.7
163.06137	1.3
171.25433	0.3
175.04024	0.3
195.45839	0.4
205.07178	2.0
209.11864	0.6
210.12166	0.4
211.07677	0.7
211.13390	1.2
221.74982	0.3
231.08696	1.6
247.08215	2.5
291.10870	1.1
371.29648	0.4
381.28061	0.9
383.29471	0.8
401.30569	2.9
402.30957	0.5
459.34729	1.6
471.34735	2.6
533.34558	0.7
603.39008	0.7
621.39618	0.4
625.59247	0.3
749.44897	1.8
750.46204	0.5
767.46088	5.2
768.46796	1.1
771.42084	3.6
772.42365	0.7
791.38202	0.4
869.45135	0.5
883.49988	0.4
895.50928	17.6
896.51166	5.0
913.51959	100.0
914.52356	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	913.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	0.2
68.99828	0.3
69.03458	1.9
70.10724	0.6
71.01387	30.2
71.05022	0.6
72.01712	0.5
72.02097	0.1
72.99314	3.8
73.02952	18.3
74.03297	0.3
75.00883	2.2
81.03469	1.1
83.01395	2.6
83.05048	0.5
84.02171	0.2
85.02959	64.0
86.00108	1.5
86.03298	1.3
87.00883	10.7
87.04526	3.4
88.01213	0.1
88.04892	0.1
89.02454	11.7
93.03484	0.1
95.01396	1.2
97.02965	2.6
97.06559	0.1
98.19883	0.1
99.00900	1.7
99.04524	3.4
100.04879	0.1
101.02458	20.0
102.02776	0.3
103.04022	3.6
108.02187	0.1
109.02971	1.1
111.00908	0.3
111.04549	0.3
112.01720	0.1
113.02468	3.7
115.04030	4.2
119.03526	1.3
119.05013	0.1
123.04504	0.2
125.02454	1.4
127.04034	5.1
127.04975	0.3
128.04376	0.2
129.01956	0.4
131.03523	10.4
132.03915	0.1
137.02502	0.1
143.03520	6.2
144.03847	0.2
145.05087	4.3
149.04543	0.5
159.03085	0.1
161.04553	0.2
163.06146	1.9
163.07420	0.2
174.01720	0.1
187.06075	0.2
189.04131	0.2
205.07181	3.3
211.13368	0.1
229.07129	0.2
231.08748	3.3
247.08208	2.6
291.10867	2.8
292.11243	0.2
309.11844	0.2
351.13019	1.3
382.99176	0.1
423.14700	0.2
441.33868	0.2
455.31583	0.4
457.33374	1.4
458.34305	0.2
469.16449	0.1
469.32941	0.5
487.34460	0.3
489.36243	2.3
490.36655	0.2
533.34717	0.3
621.40143	3.0
622.40302	0.5
749.45056	0.4
751.47760	0.1
767.46143	4.8
768.46405	0.9
771.41498	0.8
772.42560	0.2
913.51923	100.0
914.52240	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88515	0.1
67.01891	0.5
68.99825	0.2
69.03464	2.1
69.13950	0.1
71.01386	25.4
71.05030	1.0
72.01727	0.4
72.99315	4.8
73.02952	17.0
74.03275	0.2
75.00881	2.0
81.03471	1.5
81.16322	0.1
83.01398	4.7
83.05029	0.7
84.02164	0.2
85.02959	55.4
86.00106	2.2
86.03279	1.0
87.00882	8.3
87.04526	2.4
87.61322	0.1
89.02452	5.5
90.02841	0.1
95.01395	1.5
95.05022	0.1
97.02959	2.5
97.03558	0.2
99.00900	1.7
99.04531	7.5
100.04879	0.2
101.02456	23.3
102.02781	0.6
103.04020	3.8
108.02219	0.1
109.02960	1.9
111.00886	0.3
111.04532	0.2
112.01688	0.5
113.02464	2.2
115.04032	2.2
115.04755	0.1
116.92849	0.2
119.03525	1.6
125.02473	1.3
127.04027	6.0
128.04404	0.2
129.01959	0.4
129.05562	0.2
131.03522	13.0
132.03873	0.2
137.02469	0.2
142.99915	0.1
143.03517	4.4
144.03860	0.2
145.05095	2.9
161.02481	0.2
161.04538	0.2
163.06143	1.8
163.11354	0.1
187.06094	0.2
205.05261	0.2
205.07162	1.8
209.11873	0.8
211.13409	0.8
216.27654	0.1
220.62355	0.1
225.11346	0.1
227.13031	0.2
229.07153	0.2
231.08722	2.1
247.08220	2.0
249.09654	0.1
257.08136	0.3
273.09790	0.2
291.10919	2.0
292.11270	0.1
373.62283	0.1
385.99289	0.1
397.13596	0.3
409.27469	0.2
429.30139	0.2
485.32724	0.2
529.34564	0.2
619.38586	0.7
620.38678	0.2
747.43317	0.6
748.44122	0.2
765.44598	9.1
766.44916	2.3
767.45917	0.3
911.50366	100.0
912.50696	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	911.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.3
68.99846	0.2
69.03460	2.7
71.01391	38.3
71.05022	1.0
72.01720	0.5
72.02116	0.2
72.99316	5.7
73.02956	21.5
74.03304	0.3
75.00890	2.5
77.57491	0.1
81.03471	1.6
83.01398	3.6
83.05054	0.8
84.02164	0.2
85.02964	79.1
86.00110	2.2
86.03300	1.5
87.00889	14.1
87.03996	0.3
87.04527	3.7
88.01247	0.1
88.98808	0.4
89.02458	14.4
90.02791	0.2
93.03491	0.2
95.01400	1.7
96.96067	0.3
97.02974	2.8
98.19897	0.2
99.00896	2.2
99.04537	7.5
100.04876	0.2
101.02461	23.8
102.02793	0.5
103.03360	0.3
103.04026	3.5
104.04337	0.1
108.02200	0.2
109.02971	1.3
111.00887	0.4
111.04548	0.2
112.01702	0.2
113.02473	5.2
113.69860	0.1
115.04032	4.1
116.04340	0.1
119.03525	1.6
123.04580	0.2
123.08177	0.2
125.02467	1.8
127.04035	6.6
128.04361	0.2
129.01939	0.4
131.03528	12.1
132.03870	0.2
143.03526	8.3
144.03857	0.3
145.05093	6.1
146.05452	0.3
149.04565	0.5
151.04022	0.2
159.02968	0.1
161.04543	0.2
163.06160	2.8
164.77734	0.1
175.06178	0.1
205.07188	3.9
206.07579	0.2
209.11893	0.7
211.13379	0.6
227.12827	0.2
229.07227	0.4
231.08743	4.5
232.09074	0.2
247.08231	3.2
248.08603	0.3
249.09784	0.3
273.09790	0.2
283.16974	0.2
283.21057	0.1
291.10858	4.7
292.11212	0.2
297.22144	0.2
309.11862	0.3
311.19940	0.2
313.21667	0.2
351.13007	2.1
379.11990	0.1
423.15244	0.2
439.32224	0.2
453.30008	0.3
455.31702	1.6
456.31949	0.4
467.31659	0.7
468.31589	0.1
471.33347	0.1
487.30740	0.5
531.33160	0.3
597.65015	0.2
614.87836	0.1
619.38696	4.4
620.38696	0.6
747.43768	0.5
749.45300	0.4
765.44714	7.9
766.45007	2.0
767.47107	0.3
911.50409	100.0
912.50751	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	905.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.6
68.99834	1.2
69.03457	0.8
71.01391	9.1
71.70984	0.2
72.01715	0.2
72.99310	2.3
73.02953	1.0
75.00883	9.3
81.03451	0.4
81.27140	0.2
83.01398	1.0
83.05058	0.3
85.02962	10.0
87.00878	3.4
89.02461	1.8
90.10406	0.2
91.04006	0.3
93.03472	1.1
95.01411	3.0
97.02936	0.2
99.00250	0.3
99.00896	5.6
101.02455	0.4
103.00391	0.9
103.04031	0.2
109.02962	0.5
111.00923	1.1
111.04533	0.4
112.01711	0.2
112.17402	0.2
113.02470	11.4
114.02798	0.2
115.00398	1.0
115.04044	0.3
117.01958	1.5
119.05051	0.2
121.02976	50.1
122.03316	1.9
123.04560	0.3
125.02451	0.3
129.01942	1.1
132.02313	0.2
136.01666	0.2
139.00391	0.3
146.21950	0.2
147.04517	0.2
157.01469	0.4
161.02443	0.2
165.05598	0.4
167.26894	0.1
175.02489	1.3
189.04085	0.6
231.05089	3.2
249.06155	32.6
250.06535	2.0
311.07718	0.3
353.08899	0.7
363.69601	0.2
371.09851	100.0
372.10202	10.2
376.61371	0.2
386.54300	0.2
533.14441	0.9
533.29022	0.2
905.28815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73778	0.1
66.14146	0.1
69.03483	0.1
71.01384	1.3
71.71480	0.2
72.99311	2.2
73.02958	0.3
75.00877	0.2
83.01392	2.2
83.25087	0.1
85.02972	0.2
89.02452	0.5
95.01390	0.6
99.00887	0.2
101.02462	0.8
103.00385	0.1
111.00890	0.4
113.02456	0.9
116.05078	3.9
117.05438	0.2
119.03519	0.2
125.02468	0.7
127.00393	0.7
128.05057	1.1
130.06641	1.6
132.04590	0.5
139.00410	0.7
140.05099	0.3
142.06641	100.0
143.03523	0.1
143.06989	6.0
144.04565	0.7
157.01445	0.4
158.06133	12.1
159.02167	0.1
159.06516	0.5
161.02411	0.1
161.04591	0.2
167.03564	0.1
169.01436	0.3
169.43956	0.1
172.04066	0.5
186.05618	43.3
187.02528	0.6
187.05969	2.8
203.05907	0.1
204.06664	67.1
205.06999	4.6
205.08968	0.2
211.02243	0.1
221.06651	0.2
246.07701	50.2
247.08043	4.4
248.08553	0.1
266.13342	0.1
413.21661	0.1
481.20792	3.4
481.27783	0.2
482.21228	0.5
511.21838	1.9
512.22174	0.4
541.22699	0.4
627.90247	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	901.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98544	0.5
63.99262	0.4
69.03450	1.2
71.01388	18.4
71.05043	2.2
71.70916	0.5
71.71333	0.4
72.99311	1.7
73.02946	2.6
73.61009	0.4
75.00909	0.5
79.95738	0.5
80.96515	2.1
81.03466	0.7
83.01391	2.2
83.05014	0.7
85.02951	3.9
87.00880	3.1
89.02457	10.6
92.40156	0.5
94.98111	0.6
95.01395	1.3
95.05051	0.7
96.96023	0.4
97.02960	6.7
97.06581	1.5
99.00895	13.3
101.02454	10.8
101.48531	0.4
109.06587	1.6
110.03754	0.7
111.04544	0.5
113.02464	5.4
116.92889	2.6
119.03515	2.6
123.08172	1.4
125.02457	3.7
125.09742	5.1
126.28586	0.4
127.11309	1.0
133.13182	0.4
135.08174	0.9
136.05275	0.8
137.02452	0.4
142.02707	0.8
143.03600	0.8
155.14432	0.4
161.04578	1.5
161.09734	0.8
163.11313	8.6
164.11560	0.4
171.10292	5.9
177.03407	0.7
179.05588	1.5
179.10759	0.6
181.12361	15.2
181.13940	0.8
197.11891	2.0
199.09721	0.5
199.13403	15.9
200.13765	1.1
201.11406	1.5
207.10275	34.3
208.03745	0.4
208.10727	2.2
209.11852	0.6
211.13347	0.9
221.06683	4.1
225.11325	52.4
226.11629	3.6
235.08200	1.9
243.12358	16.7
244.12685	1.3
246.06755	0.4
253.09195	0.5
275.20264	0.4
277.21716	27.7
278.22064	2.9
293.21289	0.5
311.22189	0.4
317.15958	0.7
379.12485	1.4
397.13498	8.8
398.13965	0.5
415.14740	1.8
463.07132	0.5
485.32834	1.9
486.32819	0.4
605.24554	3.9
606.24811	0.5
623.25592	6.0
624.26349	0.9
641.26788	0.8
883.47321	11.6
884.48151	2.7
901.48254	100.0
902.48596	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	901.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99563	1.6
69.03455	1.1
71.01388	17.1
72.99317	1.4
73.02957	2.5
75.00890	0.4
77.69319	0.2
80.02684	1.0
81.03461	2.5
83.01398	1.8
83.05033	6.1
84.02166	1.3
84.05396	0.3
85.02957	4.0
87.00887	3.8
89.02454	13.2
91.03992	0.2
93.03514	0.3
95.01399	1.1
95.05038	1.0
96.96017	0.5
97.02954	2.4
97.06600	0.3
98.20645	0.5
99.00896	0.9
99.04532	0.2
101.02456	12.3
102.02769	0.3
109.02963	0.4
109.06597	0.5
111.04549	0.4
111.08159	0.8
112.98595	1.6
113.02456	6.9
115.04034	0.3
116.92854	0.5
119.03503	3.5
121.02957	0.3
121.10238	0.4
124.01680	0.3
125.02467	5.2
125.03391	0.3
125.06068	0.6
125.09729	0.5
131.03487	0.6
133.05095	0.3
135.08171	0.9
137.02492	0.3
139.04051	0.4
141.01985	0.4
143.03516	2.4
145.05083	0.3
149.04538	0.4
161.04558	3.2
163.11302	4.5
165.12859	3.2
167.03473	0.6
167.10890	0.4
169.12318	0.4
171.10300	1.7
179.05640	3.8
179.14400	0.7
181.06581	0.2
181.12373	0.9
183.13918	1.4
191.10823	1.5
195.13911	6.1
196.14423	0.3
197.11894	1.7
199.06042	0.3
199.13431	0.9
205.12297	0.5
205.16106	0.3
209.11842	100.0
210.12181	5.9
211.13414	8.7
212.13675	0.6
217.07184	0.6
217.34550	0.3
219.05101	0.2
221.06712	1.3
223.13399	4.7
224.13971	0.3
227.12889	12.7
228.13406	1.0
229.42404	0.3
231.21132	0.4
235.08218	4.7
235.16957	0.4
236.08450	0.2
240.98557	0.2
245.06703	0.3
247.20656	0.3
251.12892	0.4
253.09384	0.6
256.13138	0.9
263.07782	0.4
263.20105	0.3
275.20187	6.2
276.20547	0.4
287.07797	1.8
291.19690	1.7
293.21222	97.3
294.21573	8.6
305.09000	1.5
309.20715	6.7
310.21014	0.7
317.21161	0.3
323.09735	1.2
361.11246	0.4
379.12457	4.5
380.12936	0.5
397.13535	40.5
398.13782	3.1
415.14590	14.9
416.14877	0.9
459.07980	0.4
503.33655	0.4
549.75409	0.3
589.25134	0.9
607.26215	3.6
608.26190	0.4
609.27893	0.8
673.35126	0.8
691.35498	1.5
692.36670	0.3
707.35425	0.4
832.42346	0.3
901.48450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98538	1.0
66.78694	0.5
69.03455	1.0
71.01388	18.0
71.05022	2.4
72.99306	1.5
73.02956	2.8
75.00870	0.5
79.95763	0.6
80.02708	0.6
80.96513	2.1
81.03452	0.8
83.01389	1.7
83.05038	1.2
85.02960	4.3
87.00895	4.0
87.80585	0.5
89.02457	9.9
93.03419	0.5
94.98103	0.5
95.01389	1.0
95.05017	1.0
96.96010	0.5
97.02962	5.8
97.06594	2.5
98.19849	1.5
99.00895	11.4
101.02454	13.5
106.98082	0.6
109.06594	2.2
111.04536	0.5
113.02477	5.8
115.73985	0.6
116.92897	1.0
119.03505	1.7
119.77229	0.5
121.51012	0.5
123.08145	1.2
125.02449	3.8
125.09745	5.9
127.11319	0.8
135.08130	1.0
142.02759	1.0
143.03500	1.3
153.12816	0.8
161.04582	1.8
163.11304	7.5
171.10292	8.2
179.05624	1.8
179.10802	0.6
181.12369	12.0
197.11850	1.8
199.09711	0.9
199.13409	10.7
201.11316	2.2
207.10283	27.9
208.10594	1.6
209.11888	0.6
221.06622	1.5
225.11334	37.1
226.11586	2.5
235.08295	2.4
243.12379	8.6
275.20166	0.5
277.21729	40.9
278.21991	3.9
293.21194	0.9
299.15475	0.7
379.12302	1.9
396.29245	0.6
397.13507	10.8
398.13828	0.8
415.14642	2.5
421.18396	0.5
471.34692	0.8
605.24481	2.4
620.11200	0.5
623.25671	2.2
675.36145	0.7
857.45947	0.6
883.47266	13.6
884.47626	2.9
901.48248	100.0
902.48535	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98543	24.0
62.99258	8.3
71.01405	69.8
71.19179	17.4
78.12724	8.2
80.96521	16.5
85.02952	17.6
87.00890	11.9
89.02448	33.9
96.96039	30.1
97.02956	9.6
97.50803	7.3
99.00877	10.0
99.32986	8.3
101.02469	34.0
109.06599	13.4
113.02451	18.4
116.92863	43.6
125.02507	14.3
125.13033	8.2
137.25720	8.7
163.11296	17.9
169.12379	10.8
171.10318	57.0
197.11833	27.6
198.12268	10.1
201.11407	8.7
207.10324	35.3
209.11815	13.7
211.13315	11.8
215.12962	10.5
225.11368	59.4
243.12352	11.8
254.24840	7.8
265.14670	51.9
266.15060	16.3
277.21701	100.0
309.20648	14.0
310.21106	15.8
379.12482	11.0
397.13522	58.3
623.25012	11.5
677.46765	10.1
883.47076	29.9
900.46893	64.2
901.48071	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	900.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	48.6
71.01398	43.0
80.96514	20.9
87.00908	26.1
97.03014	24.1
101.02483	33.9
115.00394	23.0
171.10243	57.8
175.02466	62.8
197.11832	64.6
198.12155	28.3
211.13420	50.0
229.82114	19.2
268.36966	16.9
277.21747	95.5
278.22220	42.9
292.19919	27.9
293.20691	17.9
309.20557	63.6
310.21030	49.8
311.21371	39.4
397.13156	42.1
471.34946	42.9
477.22803	23.0
547.29248	20.3
626.85394	17.9
900.47528	92.9
901.47369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98530	52.1
63.99250	18.6
70.86141	15.9
70.86484	26.1
71.01384	24.6
74.31499	12.5
75.00858	12.1
89.02437	20.7
96.96042	16.6
101.02481	21.0
120.89709	13.2
131.83638	10.2
169.12373	12.1
175.02513	20.3
197.11798	27.9
198.12169	18.5
211.13301	20.6
234.72778	12.5
261.39572	11.9
277.21796	92.0
278.22137	25.2
309.20636	14.8
338.77539	11.8
433.61859	14.0
900.46399	100.0
901.47162	39.0
909.60022	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	899.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	3.7
69.40702	3.3
69.41129	1.2
69.98638	0.4
71.01389	19.5
71.05020	1.1
72.99310	2.1
73.02946	2.3
75.00875	1.6
81.03429	0.6
83.01417	2.6
83.05049	0.6
85.02963	4.4
87.00888	5.9
89.02460	9.6
95.01397	0.8
95.05056	0.5
96.96025	1.1
97.02970	2.7
97.06612	0.9
99.00874	0.9
101.02465	10.1
109.03033	0.4
109.06655	0.5
110.26851	0.4
113.02471	5.2
115.00401	6.0
119.03522	1.7
123.04585	0.6
123.08212	0.7
125.02509	2.5
125.09734	2.3
127.04010	0.6
127.07612	0.5
129.01917	0.4
135.96806	0.4
137.09674	0.5
141.01967	0.4
143.03580	0.8
148.00189	0.4
151.11296	1.7
153.12842	1.7
157.85313	0.4
161.04593	1.5
161.09749	2.7
169.05170	0.4
169.12363	2.7
171.10316	1.7
175.00987	0.5
175.02502	9.5
176.02913	0.5
179.05650	0.8
179.10800	4.8
183.13885	0.7
197.11852	61.0
198.12167	4.1
205.08698	0.6
209.11931	0.6
211.13420	6.6
212.13770	0.5
213.15070	0.9
221.06703	2.7
221.11790	0.4
223.09816	1.5
223.13373	0.6
235.08253	1.6
239.12968	0.5
241.10776	3.8
241.14476	3.0
251.12846	0.6
253.09268	1.6
253.14462	0.5
265.14859	1.1
277.21750	28.1
278.22076	2.0
291.19696	1.7
292.19949	1.2
293.20657	0.5
309.20816	3.6
310.21103	2.7
311.21530	0.8
320.37979	0.5
397.13525	2.2
415.14661	0.9
447.22073	0.9
477.23181	0.5
483.30908	0.9
639.24841	0.7
737.44452	1.2
765.44434	0.4
781.44171	1.9
881.47198	0.4
899.46777	100.0
900.47089	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	899.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.5
67.19000	0.5
69.03452	4.7
70.03758	0.4
71.01385	19.7
71.05015	1.6
72.99306	3.1
73.02941	2.2
74.25404	0.5
75.00885	5.9
80.96509	0.8
81.03490	0.5
83.01413	2.4
83.05058	1.1
85.02959	6.2
87.00887	8.4
89.02453	11.1
95.01406	1.1
95.05035	0.7
97.02421	0.5
97.02936	3.0
97.06575	0.9
99.00874	1.8
101.02451	11.9
109.02966	1.0
111.04492	0.6
113.02463	5.4
115.00397	8.2
116.92850	0.5
119.03535	2.5
123.04523	0.8
123.08136	1.5
125.02496	2.9
125.09727	2.1
127.03998	0.9
131.03493	0.5
132.56638	0.5
133.05106	0.5
135.03026	0.6
137.09688	0.6
151.11304	2.7
153.12885	1.2
161.04543	2.1
161.09741	4.1
165.12871	0.8
169.05077	0.7
169.12306	1.8
171.10287	4.3
175.02498	13.7
176.02820	0.7
179.10799	5.3
183.13916	1.1
195.13968	0.8
197.11842	43.5
198.12228	3.0
209.11832	0.6
210.12344	0.6
210.38319	0.6
211.13402	11.9
212.13779	1.0
213.14966	2.3
221.06784	2.4
223.09735	1.1
223.13318	0.8
235.08199	1.9
235.13391	0.5
239.12830	1.1
241.10741	1.7
241.14444	5.3
245.11908	0.7
251.12830	0.9
253.09258	2.9
253.14328	1.0
263.12885	0.9
267.12332	0.8
277.21725	57.6
278.22061	5.7
281.13760	0.5
285.13370	1.9
291.19696	1.5
292.19891	0.5
295.22052	0.5
297.13174	0.5
309.20883	2.6
310.21030	2.0
311.21194	0.8
387.03766	0.5
397.13519	2.1
415.14752	0.6
427.28345	1.4
447.22400	1.1
458.34268	0.4
471.34869	1.4
472.35327	0.6
477.23291	0.5
503.21399	0.7
513.30658	0.7
707.44244	0.8
717.66241	0.5
737.45099	3.8
738.44366	0.8
759.44031	0.7
765.44226	0.6
777.43872	1.0
779.42480	0.7
781.43976	8.9
782.44305	2.5
790.41901	0.6
821.43237	1.3
839.44470	0.8
899.46735	100.0
900.47015	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98541	14.4
71.01406	37.9
71.71564	14.2
73.02963	8.0
85.02947	8.1
89.02471	20.1
96.96030	7.7
97.03022	6.0
101.02452	28.8
104.42596	5.9
111.00942	6.4
113.02473	16.0
125.02482	13.8
149.89175	7.6
156.08318	6.7
158.08316	8.7
167.10608	8.6
171.10336	9.3
179.05688	8.2
195.13960	13.3
196.14355	9.2
197.11829	9.6
205.08694	7.6
205.12440	8.3
211.13370	11.7
223.13405	89.6
224.13660	30.7
225.11383	7.8
253.09157	7.6
277.21722	21.4
289.18030	10.3
291.19565	19.1
293.21198	100.0
294.21582	48.6
305.50232	6.8
309.20728	24.5
310.21100	14.8
316.18912	7.4
397.13428	53.3
398.13953	16.3
415.14575	24.8
416.14890	11.0
520.46954	7.4
575.30157	7.5
622.27917	11.4
691.37177	9.1
898.46021	8.6
899.46313	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	898.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28048	83.6
71.01377	100.0
85.02976	38.0
85.30159	16.1
89.02475	36.5
96.96021	27.7
101.02448	30.4
106.86120	16.4
113.02447	30.0
143.70886	18.2
168.42957	17.0
207.10341	29.6
209.11848	74.6
211.13429	50.0
225.11366	22.3
289.17990	22.1
397.13608	27.4
529.31506	23.8
899.52869	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98533	28.3
62.99269	7.8
65.00078	7.4
71.01391	28.0
85.02979	12.1
87.00894	7.1
99.00873	8.0
101.02424	15.3
109.06628	8.2
116.92862	17.9
158.72527	7.3
171.10262	20.6
198.70093	7.2
201.11438	9.1
209.11870	15.1
210.12209	8.3
211.13445	32.6
229.77298	8.3
241.14296	14.0
253.09280	14.2
255.23196	8.6
277.21732	100.0
278.22162	11.4
309.20303	14.7
397.13571	13.7
415.14301	7.3
654.38397	8.1
657.89001	7.5
737.44733	16.4
898.49341	8.8
899.45789	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	898.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98532	24.8
74.79659	7.9
79.95756	10.3
80.96526	20.5
93.40714	8.8
98.19845	21.6
112.98854	11.4
197.11862	11.0
211.13428	34.3
217.17586	8.9
229.92149	13.7
241.14345	11.2
253.09236	13.4
277.21765	100.0
309.32407	8.6
310.20993	9.3
427.28552	33.7
428.28900	22.1
447.41986	10.0
485.32785	17.0
505.92944	9.8
569.86273	9.3
737.44849	21.1
899.45258	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	1.0
68.07626	0.5
71.01392	1.4
71.71907	0.6
72.99321	1.0
83.01397	1.1
101.02460	0.6
107.01417	2.6
108.02203	0.7
109.02979	1.8
114.80522	0.5
115.00343	0.5
116.05070	1.5
116.86640	0.5
116.87502	0.4
121.02988	2.0
125.02459	1.2
130.06589	0.4
132.51909	0.5
135.04526	0.8
136.49077	0.4
137.02501	0.5
142.06641	29.4
143.06955	2.4
144.04596	0.6
145.03033	0.5
146.06084	0.6
147.06673	0.5
148.01718	1.3
149.02448	0.5
150.03149	0.8
151.00401	9.6
158.06134	3.4
159.04597	0.7
160.05298	0.7
161.02480	1.3
163.00377	2.2
163.04085	1.0
165.05617	1.5
169.01416	1.0
172.04015	0.9
175.02518	0.5
175.04073	0.7
175.07549	0.5
178.99869	4.5
186.05618	11.9
187.05850	0.5
190.99884	0.5
201.05652	0.6
203.03561	0.5
204.06671	17.7
205.07033	1.5
211.04015	1.0
216.06622	1.3
226.02710	1.2
227.03510	2.2
229.04976	1.0
239.03416	0.5
241.01433	0.6
243.02969	6.2
244.03256	0.5
245.04477	1.2
246.07700	12.1
254.02155	2.1
255.02985	21.6
256.03354	1.3
259.11969	0.5
270.01840	0.8
271.02463	38.6
272.02856	3.7
273.03894	0.8
278.37738	0.4
283.02460	1.6
284.03198	1.7
285.04089	2.7
299.02124	2.2
300.02756	97.6
301.03467	47.2
302.03870	2.9
329.13983	4.8
341.14044	0.6
343.04538	0.6
359.14676	0.7
463.08823	31.2
464.09348	3.5
505.09882	17.1
506.10379	2.7
545.12787	6.1
546.12671	0.8
593.15051	4.0
594.15790	0.7
603.95990	0.5
607.13043	100.0
608.13391	18.2
608.20959	0.3
694.86481	0.5
860.43329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98529	0.5
69.03454	1.6
71.01385	4.8
71.05024	0.4
71.71682	0.4
73.02959	0.9
74.92872	0.4
78.88688	0.3
81.03460	0.4
81.08138	0.4
83.05018	0.5
83.64400	0.3
85.02951	1.6
87.00887	1.1
89.02460	2.6
95.05060	0.4
97.02979	5.4
99.00929	0.5
101.02459	3.1
108.16213	0.4
111.00905	0.7
111.08199	3.9
112.98807	0.5
113.01758	0.4
113.02438	2.0
114.37575	0.4
115.00402	1.4
119.03513	0.5
125.02471	0.6
125.09697	0.9
127.07621	0.6
127.11255	0.5
129.01961	0.7
137.09741	1.4
142.99860	0.6
161.04573	1.2
163.11320	2.0
165.12888	3.6
166.10040	0.5
166.13170	0.4
169.12332	1.3
169.82066	0.4
171.10297	4.2
175.02527	2.2
176.95720	0.4
177.12775	0.6
179.14391	0.9
181.12334	1.0
183.13930	1.3
186.03183	0.4
191.14426	0.7
193.12341	0.9
193.15994	0.7
197.11845	17.3
198.12326	1.1
199.13412	1.2
209.11856	3.8
211.13428	4.8
221.11885	0.8
223.13457	0.8
227.12917	3.9
230.13948	3.9
235.08223	2.8
247.20709	3.6
253.09290	18.1
254.09729	0.7
263.20239	1.2
265.18024	0.5
270.55185	0.4
273.18695	1.7
277.21683	2.2
291.19662	39.4
292.20047	3.5
309.20728	100.0
310.21069	8.8
433.20895	0.7
471.34845	1.9
527.28772	2.1
545.29504	5.6
546.30188	1.2
601.41162	2.7
602.40790	0.7
653.13037	0.4
780.58539	0.4
825.15173	0.4
854.48035	0.4
897.47375	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	897.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06384	0.2
66.91286	0.1
66.92019	0.1
67.01891	0.3
67.16563	0.2
68.99852	0.3
69.03464	1.8
70.99847	0.3
71.01387	21.0
71.05025	0.6
72.01717	0.5
72.02151	0.1
72.99318	4.1
73.02952	13.3
74.03311	0.3
75.00865	1.6
81.03461	1.3
83.01398	3.3
83.05038	0.6
85.02960	43.6
86.00110	1.6
86.03294	1.0
87.00886	6.6
87.04530	2.1
88.98825	0.2
89.02456	5.0
90.02808	0.2
95.01407	0.8
95.62888	0.1
97.02970	2.0
99.00906	1.4
99.04536	3.0
100.73573	0.1
101.02458	19.3
102.02798	0.4
103.04025	3.3
104.04331	0.1
108.02213	0.2
109.02973	1.5
111.00903	0.4
111.04490	0.2
112.01725	0.4
113.02466	1.9
115.04019	1.9
119.03517	1.2
125.02484	1.1
126.95724	0.2
127.04028	5.0
129.01962	0.3
131.03528	10.6
132.03880	0.3
133.39885	0.1
139.04111	0.2
143.03525	3.5
145.05087	2.0
163.06131	1.4
163.11421	0.2
171.10332	0.3
205.07190	1.4
207.10277	0.5
208.10670	0.2
209.11916	0.3
211.13412	1.3
212.13766	0.6
225.11301	0.3
229.07146	0.2
231.08751	1.6
233.37271	0.2
235.08298	0.2
247.08209	1.7
273.09839	0.2
291.10800	1.2
291.19492	0.2
309.20947	0.3
334.97095	0.1
385.31259	0.2
388.51132	0.2
397.13519	0.5
399.13980	0.2
415.15005	0.2
443.92316	0.2
471.34778	0.2
473.36371	4.7
474.36789	0.7
527.37097	0.2
528.58112	0.2
605.40509	1.0
621.80023	0.2
675.41595	0.2
733.45575	0.5
734.45685	0.2
751.46722	6.7
752.19464	0.2
752.46918	1.9
801.38629	0.2
819.39880	0.3
897.52478	100.0
898.52795	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03965	0.1
67.01889	0.6
67.08991	0.1
68.99816	0.3
69.03461	2.2
69.53370	0.9
71.01385	24.0
71.05023	0.9
72.01722	0.4
72.02116	0.1
72.99313	4.2
73.02950	16.8
74.03288	0.2
75.00879	1.9
75.65663	0.1
81.03461	2.0
83.01392	4.2
83.05035	0.8
84.02176	0.2
85.02957	51.9
86.00106	1.9
86.03279	0.9
87.00884	9.1
87.04521	2.7
89.02452	6.3
90.85385	0.1
95.01402	1.1
97.02964	2.3
99.00893	1.6
99.04530	3.5
101.02457	22.7
101.06117	0.2
102.02796	0.3
103.04023	3.9
105.65078	0.1
108.02193	0.1
109.02966	2.2
111.00888	0.4
111.04510	0.2
112.01717	0.5
113.02464	2.0
115.04026	2.1
119.03523	1.3
119.05001	0.1
123.04546	0.1
125.02453	1.1
127.04030	5.8
128.04370	0.2
129.01978	0.4
131.03520	12.0
132.03865	0.3
143.03516	3.6
144.03922	0.1
145.05087	2.6
146.05464	0.1
163.04033	0.1
163.06133	1.4
187.06165	0.2
205.07181	1.8
229.07222	0.4
231.08736	1.6
232.09085	0.1
247.08226	2.3
273.09805	0.2
283.01352	0.1
291.10864	1.5
300.35263	0.1
357.27945	0.1
383.29599	0.1
385.30972	0.3
416.57709	0.1
455.34961	0.2
457.33020	0.1
471.34903	0.5
473.36368	5.5
474.36594	0.9
527.37286	0.3
543.36664	0.2
569.38629	0.1
592.04791	0.1
605.40356	1.2
675.41797	0.1
733.44867	0.7
734.46637	0.2
751.46735	9.6
752.47009	2.3
897.52429	100.0
898.52759	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98539	48.3
71.01405	27.2
83.64334	16.9
87.00901	18.1
93.60322	16.6
101.02435	15.6
101.97534	14.0
104.62080	17.2
195.13922	47.0
197.11798	26.0
209.11819	17.5
272.10355	14.2
272.93555	16.6
277.21783	16.5
289.18115	22.7
290.18378	17.5
307.19125	29.4
309.20578	20.3
311.22430	18.2
495.74945	15.8
838.66473	17.6
897.48492	100.0
904.11829	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	895.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99276	1.0
69.03458	2.3
71.01392	11.6
72.99290	1.3
75.00877	1.5
81.03459	3.5
83.01395	2.5
83.05022	2.0
85.02966	4.0
87.00904	1.9
89.02462	8.2
95.01424	1.2
95.04988	1.1
97.02985	2.7
97.06594	5.6
99.00906	1.8
101.02463	7.2
109.06593	2.3
111.00881	1.0
111.08172	14.6
113.02444	5.1
119.03512	2.3
123.04552	3.5
123.08158	1.8
125.02489	1.7
125.09756	5.6
127.07661	1.5
129.01901	1.3
132.53285	0.9
135.08154	1.2
137.09732	3.8
141.12851	1.0
149.06088	1.3
151.11293	2.5
153.12874	1.4
161.04614	5.9
163.11295	7.2
165.12862	4.9
167.10744	1.3
169.12363	8.2
171.10245	1.4
177.12973	1.3
179.10759	2.2
181.12369	4.7
182.12857	1.0
182.36346	1.2
183.13997	1.4
185.11862	4.9
191.10728	2.1
191.14467	7.2
193.12318	1.4
195.10249	1.2
197.11848	66.5
198.12207	3.7
199.13449	4.3
207.10251	2.6
209.11833	22.6
210.12253	1.9
211.13411	12.9
215.12810	1.9
216.34190	1.1
225.11275	2.3
227.12926	5.9
230.12201	1.1
235.08162	7.0
237.11301	3.1
245.19113	14.1
246.19455	1.4
253.09291	32.4
254.09590	2.0
255.07780	1.0
255.23259	1.4
263.20090	12.3
265.18066	2.0
271.17130	2.1
273.18637	1.6
277.21808	2.3
289.18100	76.8
290.18466	7.1
291.19690	32.1
292.20102	2.9
307.19165	83.3
308.19510	8.1
309.20731	100.0
310.21103	11.1
445.20743	4.5
458.86624	1.0
499.48343	1.2
525.26984	4.0
527.28693	1.5
543.27991	7.2
545.29456	2.9
599.39398	1.1
715.42828	1.3
721.42487	2.5
737.41827	3.3
835.48486	5.8
895.49976	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	895.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03972	0.2
67.01891	0.5
68.99835	0.3
69.03459	2.3
71.01389	25.6
71.05018	0.9
72.01720	0.4
72.99316	4.9
73.02954	16.2
74.03307	0.3
75.00452	0.2
75.00880	2.2
81.02995	0.1
81.03469	2.1
83.01400	4.3
83.05036	0.8
84.01709	0.1
84.02171	0.4
85.02962	54.8
86.00109	2.0
86.03297	1.0
87.00888	9.3
87.04520	2.3
88.98823	0.4
89.02457	6.2
93.03459	0.2
95.01396	1.4
95.04961	0.1
97.02966	2.6
98.20620	0.4
99.00907	1.7
99.04541	4.2
101.02460	22.8
102.02787	0.6
103.04026	3.9
108.02190	0.2
109.02969	2.5
109.06592	0.2
111.00864	0.6
111.04535	0.3
112.01678	0.4
113.02473	2.6
114.02792	0.2
115.04036	2.0
117.01984	0.2
119.03517	1.8
123.08193	0.3
125.02454	1.4
127.04039	6.0
128.04372	0.2
129.01962	0.3
131.03525	12.2
132.03870	0.3
137.02464	0.2
143.03523	3.4
145.05092	2.9
146.05362	0.2
155.03590	0.2
163.06148	2.4
164.06451	0.2
183.13930	0.2
187.06116	0.2
189.03986	0.1
205.07196	1.4
207.10245	0.5
209.11890	0.2
211.13394	1.4
212.13667	0.2
225.11284	0.3
229.07106	0.2
229.91702	0.1
231.08746	2.2
247.08234	2.3
249.09669	0.2
273.09824	0.2
291.10889	2.4
292.11185	0.2
304.12479	0.1
326.84869	0.1
327.23233	0.5
329.24887	0.5
373.23776	0.2
397.13538	0.3
423.32492	0.5
425.34222	0.2
435.32813	0.2
453.33859	0.6
469.33023	0.3
541.35669	0.1
567.37073	0.1
603.38953	0.9
604.39087	0.2
647.38129	0.2
673.39160	0.2
731.43597	1.0
732.44220	0.2
748.45117	0.2
749.45160	12.0
750.45502	3.4
751.45612	0.5
767.75775	0.1
771.41595	0.3
775.41901	0.1
817.39319	0.3
895.50903	100.0
896.51221	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	895.421
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	1.0
69.03484	1.9
71.01389	100.0
72.01721	1.7
72.99315	3.1
73.02964	5.2
75.00863	1.0
81.03469	3.1
83.01391	2.3
83.05032	3.0
84.02125	1.1
85.02969	8.5
87.00901	5.5
88.98827	2.6
89.02460	18.3
95.01401	1.4
97.02969	7.9
99.00898	4.0
99.04552	1.6
101.02466	16.6
105.01898	1.0
107.05050	1.1
109.06612	19.0
110.03750	1.5
111.00894	1.7
113.02461	9.2
119.03526	3.6
121.06510	0.9
125.02454	7.0
125.09731	2.7
127.11333	1.6
131.03531	2.5
135.08174	3.2
136.05267	1.5
139.04019	1.4
141.01947	1.5
142.02734	1.8
143.03490	2.8
145.05002	1.0
155.10782	0.9
161.04565	3.1
161.09772	1.1
163.11296	11.8
168.67833	1.0
169.05261	1.1
171.10280	10.0
179.05626	5.5
179.10660	1.0
181.12430	5.7
183.13921	5.5
185.11838	2.3
189.09227	1.4
193.12334	1.5
199.09796	1.2
199.13400	2.0
201.11316	6.7
207.10295	50.7
208.10599	3.0
209.11845	12.2
210.12244	1.0
211.13419	61.2
212.13680	3.0
215.12952	1.3
221.06621	2.4
225.11339	38.2
226.11716	1.4
227.12825	7.3
230.17268	1.3
235.08215	5.1
243.12344	3.2
263.07761	1.4
267.92969	1.0
287.07654	0.9
298.35315	0.9
357.24170	1.4
373.23672	2.1
379.12433	2.4
383.22522	2.1
383.32013	1.0
391.24979	2.6
397.13553	27.7
398.13885	1.7
401.23380	4.7
402.23883	1.0
415.14609	6.9
416.14706	1.0
419.24359	4.2
527.33557	1.0
591.26764	1.5
603.39392	1.6
605.24011	5.5
609.27393	2.1
623.25623	10.1
624.26062	1.3
771.38171	4.1
773.36340	1.4
781.36725	1.9
799.37860	13.9
800.37634	2.0
817.38873	25.0
818.39117	10.5
835.40466	4.0
836.41028	1.7
895.51251	11.1
896.51050	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	894.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35114	0.2
71.01389	4.6
71.01763	0.4
71.71104	0.5
72.99335	0.4
73.02949	1.2
75.00879	0.5
80.96521	0.8
83.01393	0.8
84.66303	0.2
85.02958	2.0
87.00889	0.4
88.98811	0.2
89.02452	1.2
89.03999	0.2
93.03474	0.5
95.01417	0.4
97.02953	0.2
99.00897	0.6
101.02451	3.0
105.03488	0.8
107.05027	0.3
108.02196	0.2
111.00931	0.7
113.02457	1.5
117.03500	1.8
119.03503	0.5
120.01245	0.2
121.02940	0.3
121.20930	0.2
122.03780	0.2
123.04568	0.4
125.02453	0.4
132.02187	2.0
133.02980	34.4
134.03683	1.5
135.04549	13.4
136.04868	0.6
137.02495	0.6
145.03023	0.6
147.04555	0.3
149.06131	0.4
150.03282	0.6
151.04062	0.3
155.03479	0.2
158.06044	0.2
159.03038	0.2
160.01709	0.8
161.02469	100.0
162.02798	5.1
163.04059	0.5
165.05559	0.6
174.01674	0.3
175.02568	0.4
175.04037	1.0
177.05649	0.2
179.03513	7.1
180.03908	0.5
193.05049	0.5
195.06665	0.3
203.03430	0.3
204.06560	0.3
205.05078	0.2
209.11826	3.4
221.06673	0.2
225.00813	0.5
227.12907	0.7
233.04483	0.2
431.72464	0.2
507.35620	0.8
597.68347	0.3
631.13220	0.2
651.37476	0.6
669.40344	0.7
831.44073	73.7
832.44391	21.1
895.36755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62159	0.9
69.03447	2.6
71.01388	100.0
71.71124	1.0
72.01715	1.2
72.99308	2.6
73.02966	4.2
74.56700	0.8
81.03465	2.3
83.01405	2.4
83.05055	2.4
85.02951	7.0
87.00912	5.1
87.75178	0.9
88.98811	3.3
89.02452	17.7
95.01403	2.7
95.05087	0.8
97.02956	7.7
97.06593	1.0
99.00860	3.2
101.02447	19.1
105.79543	0.9
107.04993	1.0
109.06608	13.8
110.03737	0.9
111.00887	2.5
111.04542	1.1
113.02456	9.8
116.09953	1.0
116.92858	1.6
119.03536	4.5
125.02459	7.2
125.09695	2.3
127.11245	0.9
133.09586	0.9
135.08167	1.4
136.05356	1.6
141.01949	1.8
141.62941	0.9
142.02708	1.6
143.03474	3.1
155.10846	1.0
161.04582	3.2
161.09726	1.0
163.11307	10.3
165.34682	0.8
171.10274	8.1
179.05618	4.5
181.12358	3.0
183.13913	6.3
185.11749	1.8
199.09711	1.7
199.13435	1.7
201.11330	6.4
207.10275	38.9
208.10590	2.8
209.11827	11.6
211.13408	71.6
212.13771	3.1
212.59058	0.9
221.06660	2.1
225.11334	24.8
226.11601	1.9
227.12889	8.4
235.08134	4.6
243.12254	2.5
253.61984	0.9
286.48016	1.0
287.07584	1.8
305.08826	1.7
373.23932	1.5
379.12473	2.4
383.22357	2.6
391.24750	2.6
397.13556	30.9
398.13892	3.1
401.23090	5.8
415.14624	9.6
419.24472	5.4
529.31616	2.1
605.24243	3.7
609.27911	1.7
623.25348	3.3
771.38812	1.9
799.37946	14.3
800.38135	3.7
817.38745	27.7
818.39453	10.3
819.39624	1.3
835.40112	3.6
840.01227	1.0
895.50024	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	892.458
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98524	24.5
64.12917	11.3
71.01412	22.7
71.72256	12.2
89.02428	20.3
101.02451	21.6
171.10300	100.0
172.10635	49.5
173.10732	13.7
226.42683	11.9
277.21732	55.0
278.22025	31.5
279.22241	13.2
379.12711	16.3
397.13443	33.9
398.13770	31.7
399.14102	25.7
544.41675	12.9
792.49670	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	892.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46696	3.0
71.01389	5.5
72.99323	0.9
73.02960	1.4
75.00874	0.4
76.10233	0.3
83.01402	0.6
83.16084	0.3
85.02970	1.9
87.00893	0.6
88.98834	0.7
89.02441	2.4
93.03453	0.4
95.01407	0.6
99.00904	0.9
101.02473	3.8
105.03491	0.6
107.05051	0.4
108.02175	0.3
111.00899	0.6
113.02488	1.9
115.36390	0.3
117.03505	2.2
119.03513	1.1
119.05043	0.9
123.04534	0.9
123.28589	0.3
125.02447	0.7
126.99705	0.3
129.02002	0.5
131.03596	0.3
132.02167	1.8
133.02982	36.3
134.03870	1.6
135.04550	13.3
136.04883	0.5
137.02510	0.7
145.02986	1.1
149.02487	0.4
149.06108	0.4
150.03238	0.5
151.04036	0.4
153.05586	0.6
159.03139	0.3
160.01628	0.7
161.02472	100.0
162.02812	4.5
163.04016	0.9
165.05614	0.4
171.10452	0.3
175.04005	0.5
177.05603	0.6
179.03517	8.0
179.05241	0.4
190.02698	0.4
209.11861	1.0
221.04492	0.6
251.05684	0.4
257.13040	0.3
265.07092	0.4
337.07327	0.4
457.11478	0.7
514.61505	0.3
527.21765	0.5
649.35938	0.4
667.38654	0.4
715.54285	0.3
719.35529	0.5
825.10870	0.3
829.42535	74.5
830.42896	18.5
830.59192	0.7
892.34241	1.2
893.37219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98534	0.2
69.72467	0.3
69.72884	0.6
71.01402	0.3
78.95866	0.1
79.95744	0.1
80.96537	0.5
85.02979	0.1
89.02473	0.2
93.99299	0.1
98.20673	0.1
98.63953	0.1
101.02442	0.1
109.08973	0.1
113.02428	0.1
116.92934	0.1
129.01974	0.2
130.53290	0.1
136.31212	0.1
183.13997	0.1
191.36922	0.1
200.34128	0.1
209.11902	0.5
225.11342	0.1
227.12833	0.1
277.21796	0.4
278.22208	0.2
886.48230	0.2
887.49200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.4
64.09404	0.3
69.03457	0.9
69.67839	2.4
71.01389	17.5
72.99309	1.9
73.02950	2.9
75.00885	0.4
81.03483	0.9
83.01405	2.3
83.05018	0.3
85.02961	4.1
87.00893	4.5
89.02454	13.5
91.04005	0.3
95.01390	1.3
97.02959	3.0
99.00880	1.2
99.04514	0.5
101.02456	12.9
102.02812	0.4
111.04542	0.8
113.02459	7.9
114.00523	0.3
116.92877	0.4
119.03505	3.4
121.02979	0.5
123.08208	0.4
125.02473	8.0
125.09718	1.1
126.02788	0.3
127.04022	0.3
127.11336	1.7
131.03500	0.6
133.05139	0.5
137.02544	0.4
139.04044	0.6
143.03537	2.8
153.09235	0.6
161.04599	3.2
167.03497	0.4
171.10287	100.0
172.10629	5.1
179.05620	3.6
199.06091	0.8
209.11826	0.6
213.11192	0.5
217.07175	1.2
219.05157	0.3
221.06723	1.5
235.08221	6.1
245.06766	0.5
253.09256	0.7
259.08173	1.2
269.06555	0.6
275.20148	0.3
277.21719	68.9
278.22055	6.7
281.24857	0.4
287.07755	2.6
291.23178	0.4
301.09406	0.4
305.08853	2.8
319.22748	0.5
323.10013	1.5
341.10828	0.3
361.11172	0.4
379.12460	16.8
380.12796	1.3
397.13528	45.4
398.13840	3.9
415.14557	7.2
416.14899	0.6
518.91418	0.3
551.23383	3.9
552.23547	0.6
569.24536	2.6
657.35339	1.7
658.35492	0.6
675.35986	3.0
676.36292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.3
68.99833	0.1
69.03458	0.9
69.53323	0.7
69.53731	0.2
70.17219	0.1
71.01389	15.0
71.05029	0.2
72.01711	0.2
72.99315	1.4
73.02960	2.2
75.00867	0.2
75.70898	0.1
80.02678	0.9
81.03030	0.2
81.03466	1.9
83.01401	1.9
83.05036	5.0
84.02164	0.6
84.05363	0.1
85.02962	3.5
86.00090	0.1
87.00892	3.6
87.04528	0.3
89.02458	11.4
90.02814	0.1
91.04052	0.1
93.03466	0.3
95.01396	1.3
95.05049	0.9
97.02959	2.3
97.06596	0.3
97.19040	0.1
98.19781	0.2
99.00912	0.8
99.04530	0.2
101.02462	11.2
102.02817	0.1
103.00357	0.1
103.04041	0.1
107.04990	0.1
109.02947	0.3
109.06576	0.3
111.00875	0.4
111.04539	0.4
112.01648	0.1
113.02471	6.0
113.06144	0.2
114.57389	0.1
115.04016	0.3
119.03526	2.9
121.03009	0.3
123.00917	0.1
124.01696	0.1
125.02472	5.3
125.06090	0.4
125.09725	0.2
127.04037	0.2
127.07713	0.1
131.03520	0.8
133.05109	0.2
135.08208	0.7
137.02509	0.1
139.04021	0.5
141.01950	0.3
143.03523	2.2
145.05070	0.2
147.11862	0.2
148.23900	0.1
149.02515	0.1
149.04605	0.4
155.14433	0.1
157.05104	0.1
161.04585	2.9
163.11310	4.1
164.11673	0.2
165.12869	2.2
167.03488	0.4
169.05110	0.2
173.09753	0.1
179.03421	0.2
179.05643	3.4
180.05865	0.2
181.05110	0.2
181.12387	0.5
185.04549	0.2
191.10834	1.1
199.06169	0.5
199.13377	0.4
209.11845	100.0
210.12175	6.4
211.13400	0.1
217.07159	0.6
219.05159	0.1
221.06677	1.3
223.13338	0.1
225.11258	0.2
227.12906	12.0
228.13226	0.7
233.11780	0.2
233.22864	0.1
235.08235	4.6
236.08577	0.2
245.06720	0.3
251.12909	0.6
253.09349	0.7
259.08191	0.4
259.20587	0.1
263.07703	0.3
275.20212	0.3
277.21725	43.6
278.22079	4.2
278.25186	0.2
287.07672	1.5
291.23294	0.2
293.21365	0.2
305.08786	1.9
306.09143	0.1
319.22769	0.2
323.09921	1.0
341.11020	0.2
361.11395	0.3
379.12466	6.5
380.12970	0.5
397.13541	31.7
398.13864	2.7
413.18494	0.1
415.14587	7.8
416.14749	0.6
589.25128	0.7
607.26007	1.4
608.26166	0.2
657.35565	0.2
675.36316	0.5
676.36212	0.2
885.47406	0.5
886.46600	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	885.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.4
67.01891	0.2
69.03467	1.0
71.01390	13.5
71.05042	0.2
71.71322	0.2
72.01714	0.3
72.99316	1.3
73.02955	2.0
75.00879	0.3
79.95754	0.2
80.02682	1.1
81.03469	1.8
83.01397	1.5
83.05039	4.7
84.02197	0.7
85.02957	3.1
86.00088	0.1
87.00886	3.4
87.04516	0.2
89.02459	11.0
91.04025	0.2
93.03470	0.3
95.01398	1.0
95.05043	1.0
97.02959	2.1
99.00903	0.7
99.04530	0.2
101.02462	9.6
102.02832	0.1
109.02984	0.4
109.06583	0.3
111.00909	0.3
111.04530	0.5
113.02468	6.3
114.02765	0.2
115.04031	0.3
119.03519	2.6
121.03020	0.2
123.00910	0.2
125.02472	5.4
125.06129	0.6
125.09798	0.1
126.02864	0.2
127.04020	0.2
129.01898	0.2
131.03543	0.6
133.05104	0.2
134.89520	0.3
135.08194	0.8
139.04024	0.3
141.02002	0.3
143.03537	2.3
145.05089	0.2
147.11798	0.3
149.04585	0.3
161.04585	2.8
162.49287	0.1
163.11311	3.9
164.11600	0.3
165.12874	2.5
167.03502	0.2
177.09308	0.2
179.05626	3.7
181.12390	0.8
191.10817	0.9
199.06088	0.4
199.13347	0.8
207.10266	0.5
209.11848	100.0
210.12173	5.7
211.13445	0.3
215.12910	0.2
217.07236	0.8
219.04970	0.2
221.06708	1.2
223.13307	0.2
225.11349	0.5
226.11728	0.3
227.12903	11.9
228.13235	0.6
233.22740	0.1
234.28860	0.1
235.08221	4.3
245.06647	0.3
251.12897	0.8
253.09340	1.0
259.08282	0.4
259.20615	0.2
263.07828	0.3
269.06552	0.2
275.20151	0.3
277.21732	41.0
278.22092	4.3
287.07690	1.5
288.08014	0.2
291.23282	0.2
293.21188	0.3
301.09201	0.2
305.08871	1.8
306.09076	0.2
323.09842	0.9
361.11536	0.2
379.12473	7.0
380.12823	0.4
397.13538	32.0
398.13867	2.3
415.14590	7.9
416.14664	0.7
469.33487	0.1
497.19617	0.2
589.25018	0.8
607.26160	1.5
608.26440	0.2
625.27197	0.4
657.34851	0.3
675.36188	0.5
745.20050	0.2
809.94568	0.1
885.47699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85653	0.5
61.98833	17.1
69.03454	1.5
69.45432	4.9
71.01389	21.8
72.99315	1.6
73.02955	3.8
75.00889	1.0
79.95724	0.5
80.96548	1.4
81.03436	0.6
83.01412	2.3
83.05041	0.6
85.02960	3.2
87.00884	4.1
89.02457	16.0
95.01398	1.3
97.02950	2.5
99.00889	1.6
101.02458	14.6
111.00897	0.6
111.04585	0.5
111.08179	0.9
113.02466	8.0
119.03512	3.8
125.02445	4.0
139.04002	0.6
143.03516	1.7
161.04581	2.0
165.12863	7.4
166.13211	0.5
179.05663	1.9
183.13919	72.6
184.14276	4.4
198.35864	0.5
209.11833	1.9
221.06734	3.1
227.12852	4.5
235.08237	2.2
277.21753	29.0
278.22083	2.7
287.07724	0.5
326.30469	0.6
379.12787	0.9
397.13550	10.0
398.13779	1.2
415.14645	1.9
416.15030	0.6
469.33139	1.9
470.33490	0.5
543.35486	0.5
581.28253	0.6
607.26141	1.4
620.05133	0.6
625.27545	2.1
867.47571	0.8
885.48828	100.0
886.49213	26.8
914.20215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98533	0.2
63.99272	0.1
70.38343	0.1
71.01394	0.2
71.71212	0.2
72.24268	0.1
74.16750	0.1
80.96550	0.2
87.89626	0.1
93.70468	0.1
135.60608	0.1
145.94554	0.1
209.11913	0.2
215.58170	0.1
227.46074	0.1
248.77106	0.1
277.21771	0.3
397.13629	0.2
491.51117	0.1
593.39642	0.1
862.67316	0.1
884.45795	0.2
885.48273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98832	100.0
62.98532	0.4
62.99258	0.2
63.99262	0.6
65.83159	0.2
69.03429	0.3
71.01385	7.1
71.70969	0.3
72.30038	0.2
72.99328	0.6
73.02971	1.0
75.00881	0.2
80.96516	0.5
81.03479	0.2
83.01417	0.8
83.05021	0.3
85.02955	1.6
87.00880	1.2
89.02454	4.3
95.01409	0.5
97.02976	1.2
97.06601	0.2
99.00906	0.4
101.02458	4.6
101.03085	0.3
105.99459	0.2
111.00928	0.3
111.08195	0.5
113.02465	2.1
119.03519	0.9
125.02473	1.5
131.03571	0.2
143.03539	0.5
161.04556	0.7
165.12865	2.4
166.13181	0.2
167.03505	0.2
179.05644	0.6
183.13916	15.4
184.14275	1.0
199.13356	0.3
207.10260	0.3
209.11844	1.8
221.06631	0.8
225.00661	0.3
225.11363	0.4
227.12897	1.8
235.08240	0.8
250.05215	0.2
275.20282	0.3
277.21725	17.1
278.22089	1.4
379.12329	0.5
397.08319	0.3
397.13480	3.4
398.13785	0.4
415.14703	0.7
436.60547	0.2
607.26239	0.4
618.17584	0.2
625.27411	0.4
675.35541	0.2
885.48840	34.4
886.49084	9.0
886.66736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98540	0.1
62.99250	0.1
66.31674	0.1
71.01408	0.5
71.71024	0.1
80.96552	0.1
83.01397	0.1
85.02978	0.1
89.02468	0.3
97.02985	0.1
101.02478	0.3
113.02494	0.1
125.02493	0.1
161.04530	0.1
165.12947	0.1
174.61691	0.1
183.13907	0.4
201.11397	0.1
209.11870	0.4
225.11441	0.2
226.11670	0.1
227.12906	0.2
237.04250	0.1
255.23323	0.2
256.23572	0.1
277.21771	0.7
278.22156	0.1
293.21164	0.2
294.21634	0.1
309.20746	0.1
397.13770	0.3
433.17035	0.1
554.86298	0.1
612.65210	0.1
884.48285	0.2
885.48517	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	884.229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.3
72.99315	1.9
83.01400	0.3
85.02934	0.2
85.06568	0.2
93.03496	0.3
107.01390	0.6
112.99660	0.2
116.05082	3.3
125.02480	0.3
128.05098	1.2
130.06665	1.3
132.02164	0.4
132.04547	0.3
135.00929	0.4
142.06644	86.2
143.06982	4.8
144.04602	0.5
151.00398	2.2
158.06140	10.1
159.04514	0.2
159.06490	0.5
162.02065	0.2
163.00398	0.5
164.01169	0.3
165.02115	0.3
169.01476	0.2
169.06659	0.2
171.04430	0.3
172.04013	0.4
173.06088	0.2
175.03952	0.3
178.99966	0.3
186.05621	33.7
187.04164	0.4
187.05923	2.3
199.04095	0.3
201.05624	0.3
202.05057	0.3
204.06670	53.1
205.06999	4.1
205.08911	0.2
211.04024	0.7
213.05537	0.7
227.03505	15.2
228.03902	1.4
229.05069	3.1
230.23219	0.3
239.03537	0.4
240.04153	0.2
241.05255	0.2
246.07701	32.7
247.08040	3.1
255.02979	31.9
256.03476	4.2
257.04578	1.4
283.02600	0.5
284.03262	56.4
285.03983	24.0
285.07462	0.3
286.04379	1.5
315.96210	0.2
327.05081	0.8
352.41620	0.2
429.76770	0.3
593.15143	100.0
594.15491	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82847	0.3
70.86688	1.3
72.99308	2.6
93.03455	0.6
107.01436	1.3
109.02978	0.4
116.05064	3.3
126.42638	0.4
128.05092	1.5
130.06659	1.3
131.44547	0.4
132.04601	0.6
135.00887	1.3
138.22896	0.4
142.06644	100.0
143.05014	0.4
143.07001	5.3
151.00398	2.2
153.02042	0.5
158.06131	11.4
159.04570	0.7
163.00401	1.3
169.06564	0.7
169.76456	0.4
183.04549	0.5
185.06113	1.5
186.05620	32.5
186.60320	0.4
187.04018	1.9
187.05956	2.3
189.05605	0.5
199.04036	0.7
201.05655	0.4
204.06667	58.0
205.07097	2.9
211.04094	1.1
213.05611	1.8
227.03497	18.1
228.03889	1.4
229.05067	7.0
230.05344	0.6
239.03500	1.6
240.04205	0.8
241.05058	0.8
246.07703	25.7
247.07953	1.8
255.02982	34.5
256.03494	4.6
257.04553	4.7
267.02869	0.7
284.03259	55.0
285.04022	74.9
286.04385	6.8
327.05209	0.7
345.19943	0.4
468.60675	0.5
593.15131	90.3
594.15424	12.9
612.68091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98550	0.1
62.99252	0.1
69.14023	0.1
71.01393	0.3
71.72282	0.1
75.23220	0.1
85.02981	0.2
89.02466	0.2
101.02469	0.3
106.59017	0.1
113.02423	0.1
126.90453	0.1
139.52528	0.1
150.86438	0.1
163.11287	0.1
171.10292	0.4
207.10350	0.1
211.13504	0.3
225.11288	0.2
229.14581	0.2
235.08217	0.4
244.07669	0.1
253.09312	0.7
263.79279	0.1
277.21756	2.5
277.24789	0.2
278.22327	0.1
289.18375	0.1
290.18546	0.1
291.19800	0.2
293.21362	0.3
294.21713	0.3
295.22736	0.2
309.20709	0.4
327.21835	1.6
327.25269	0.2
341.71237	0.1
403.66504	0.1
422.16187	0.1
459.67584	0.1
514.54053	0.1
545.29852	0.2
614.78674	0.1
735.06982	0.1
749.21832	0.1
883.46191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	21.3
62.70113	0.8
69.03460	1.6
71.01386	31.6
71.71940	1.7
72.01749	1.0
72.99321	4.6
73.02954	4.8
75.00877	1.3
76.23390	0.9
77.60957	0.9
81.03463	1.3
83.01398	3.4
83.05033	4.0
84.02209	1.5
85.02967	7.8
86.80459	0.9
87.00880	6.7
89.02459	23.7
95.01376	2.6
96.34943	1.0
97.02969	3.8
98.36336	1.0
99.00896	3.4
101.02456	20.3
109.06622	1.2
111.00909	1.5
111.08162	3.5
112.98834	4.2
113.02471	14.3
115.00404	3.2
119.03518	5.1
125.02504	5.8
125.09728	3.1
127.11311	4.1
137.09770	1.6
139.04094	1.1
142.99884	6.5
143.03514	3.5
155.10822	1.5
161.04591	6.4
163.11313	2.9
165.12897	3.1
169.12360	2.3
171.10310	5.3
173.00961	1.9
174.01732	9.6
175.02448	4.9
179.05649	5.8
181.12323	1.4
183.13914	1.4
191.11084	1.4
195.13992	4.6
197.10176	1.8
197.11844	19.8
199.13406	2.3
201.11345	80.2
202.11708	2.7
209.11853	100.0
210.12254	5.8
211.13411	18.1
212.13840	1.8
217.07317	1.2
218.69766	1.0
221.06647	2.0
223.13480	5.5
223.15265	1.0
225.11249	1.8
227.12871	14.3
228.13455	1.2
235.08221	11.7
237.14719	0.9
253.09254	24.8
255.23300	80.6
256.23563	8.4
259.08228	1.6
263.20108	1.2
275.20224	4.9
277.21725	18.1
287.07843	1.5
291.19666	14.2
292.20010	1.2
293.21225	75.0
294.21622	6.3
305.08755	2.3
309.20709	43.9
310.21027	4.7
323.09775	2.2
379.12457	13.2
397.13550	68.0
398.14215	4.8
415.14581	11.8
439.34018	1.1
529.29852	2.3
545.29846	3.0
581.24512	3.2
585.41132	3.3
589.24762	2.1
599.25690	1.9
607.26044	2.3
635.36603	1.5
653.37732	9.5
654.37823	1.8
763.43384	1.9
782.51831	1.2
803.43536	1.2
837.49628	2.3
881.50000	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	879.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.6
62.55132	0.6
69.03445	1.4
70.62646	1.2
70.63046	1.2
71.01385	15.5
71.05029	2.8
72.99312	1.2
73.02943	2.1
81.03491	0.9
83.01390	1.9
85.02962	4.0
87.00885	2.2
89.02453	8.8
95.01392	1.2
97.02970	5.3
97.06612	1.6
99.00893	13.1
101.02455	10.5
101.14205	0.6
110.03727	0.8
111.00935	0.6
111.04527	0.8
111.08185	0.9
113.02464	4.8
119.03498	2.4
123.08176	1.3
124.01698	0.6
125.02477	3.1
125.08878	0.8
125.09726	5.4
127.11284	0.8
135.08231	1.0
142.02745	1.2
143.03554	0.9
161.04575	1.5
163.11320	5.7
171.10278	4.2
179.05600	0.6
181.12334	9.7
181.89264	0.6
185.52185	0.6
197.11826	2.4
199.13405	8.8
200.13751	0.7
201.11215	0.9
207.08295	1.3
207.10268	25.2
208.10612	1.1
221.06697	1.4
225.11327	33.6
226.11658	2.0
235.08260	1.6
243.12352	8.1
253.09302	1.7
255.23285	49.1
256.23621	4.3
263.07666	0.8
289.69183	0.6
291.19690	7.7
292.20322	0.7
309.20734	3.5
317.88629	0.5
375.73907	0.6
379.12378	1.1
397.13602	5.0
415.14670	1.3
605.24548	2.3
623.25806	1.4
644.47137	0.7
861.48700	10.8
862.49115	2.9
879.49890	100.0
880.50104	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	8.5
69.03444	1.7
71.01393	30.0
71.71314	1.2
72.99307	3.0
73.02956	4.0
75.00872	0.7
80.02667	1.2
81.03469	2.0
83.01392	3.5
83.05029	4.8
85.02964	6.7
87.00889	7.4
89.02463	21.5
93.03466	0.9
95.01397	2.2
95.81062	0.8
97.02963	5.4
97.06544	0.9
99.00890	2.8
101.02466	20.0
111.00887	0.8
112.51718	0.8
112.98820	3.3
113.02477	11.4
115.00411	1.8
119.03515	7.0
125.02457	8.4
125.09729	2.9
127.11349	3.7
133.05075	0.8
135.08203	0.8
136.94875	0.8
142.99883	2.7
143.03519	3.4
155.10844	0.8
161.04587	6.4
163.11281	3.5
165.09161	1.1
165.12830	3.9
171.10291	4.4
174.01694	3.4
175.02457	3.3
179.05614	4.5
181.12346	1.6
191.10809	1.0
193.12256	0.9
195.13867	2.2
197.11823	2.5
199.06119	1.0
201.11342	77.4
202.11737	4.2
207.10278	1.2
209.11853	100.0
210.12152	6.6
211.13408	10.9
217.07166	1.2
221.06665	1.8
223.13429	2.4
223.76923	0.9
225.11333	1.7
227.12904	15.4
235.08263	8.5
247.20569	1.3
253.09265	12.3
255.23303	74.3
256.23660	7.6
269.24957	1.0
275.20169	3.2
277.21799	8.7
287.07501	2.0
291.19705	15.0
292.19952	1.5
293.21228	32.4
294.21561	3.1
305.08759	3.1
309.17151	1.7
309.20743	31.1
310.21051	3.0
323.09720	2.2
356.80075	0.9
379.12439	15.4
380.12903	1.6
397.13553	67.9
398.13837	6.5
415.14557	13.2
416.14954	1.6
447.22345	1.8
545.29614	2.5
581.24713	2.9
585.41779	1.5
589.24860	2.6
599.25513	2.2
607.25989	2.7
635.36646	3.2
653.37640	11.0
654.37738	1.9
673.28339	1.0
777.43268	1.0
837.49237	2.6
880.50928	1.0
881.50647	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	876.463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98531	0.3
69.03432	0.1
70.52139	0.1
70.52531	0.2
71.01388	0.9
72.01739	0.1
72.99338	0.1
73.02963	0.1
83.01409	0.2
85.02969	0.4
87.00890	0.2
88.98838	0.2
89.02460	0.7
90.02805	0.1
91.02867	0.1
95.01405	0.1
96.96037	0.1
98.20467	0.1
99.00863	0.1
101.02451	0.6
102.02788	0.1
111.00915	0.1
113.02477	0.5
119.03544	0.3
119.05043	0.1
121.03017	0.1
121.03986	0.1
125.02509	0.1
131.03561	0.2
143.03545	0.1
145.02985	0.3
147.04555	0.1
149.02489	0.2
150.03094	0.1
156.37030	0.1
159.85445	0.1
161.02460	0.2
161.04610	0.2
164.04803	0.1
165.05544	0.1
171.10326	0.1
175.00337	0.1
175.04037	0.1
176.00929	0.1
179.05603	0.6
180.06015	0.2
181.06216	0.1
181.12347	0.3
190.02737	0.4
191.03238	0.1
205.05069	0.3
209.11899	0.1
221.06628	0.4
222.07167	0.1
223.06314	0.1
225.11375	0.2
263.07739	0.4
264.08215	0.2
265.08249	0.3
327.22043	0.1
331.64999	0.1
375.93359	0.1
554.37659	0.1
793.32306	0.1
813.43719	0.2
816.48029	0.2
876.46954	0.9
877.47510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98537	0.2
62.99266	0.0
69.48879	0.4
71.01395	0.4
72.99354	0.1
73.02951	0.1
75.00858	0.1
85.02965	0.3
87.00932	0.1
88.98812	0.3
89.02465	0.2
99.00900	0.1
101.02473	0.3
111.00922	0.1
113.02470	0.2
116.92905	0.2
119.05062	0.1
121.02982	0.1
123.04572	0.1
123.05522	0.1
123.08184	0.1
125.02484	0.1
133.03012	0.1
134.03798	0.1
135.04579	0.2
137.02505	0.1
143.03564	0.1
145.03105	0.1
151.04085	0.1
160.01753	0.1
161.02493	0.3
161.04628	0.1
165.05595	0.1
170.63731	0.0
175.02658	0.1
175.04080	0.1
177.05649	0.1
179.03572	0.1
193.05106	0.1
198.83797	0.1
209.11833	0.1
242.81000	0.1
797.46783	0.1
798.46368	0.3
815.47339	0.2
816.47778	0.5
817.48444	0.1
876.47522	0.2
877.31799	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	876.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98542	0.2
62.99247	0.1
71.01389	1.0
71.04206	0.1
71.04565	0.2
72.01733	0.1
72.99320	0.1
73.02934	0.2
75.00881	0.1
83.01418	0.1
85.02972	0.3
87.00911	0.1
87.82285	0.1
88.98828	0.2
89.02454	1.0
90.02792	0.1
98.76205	0.1
101.02452	0.5
102.02798	0.1
109.06687	0.1
110.42901	0.1
113.02450	0.3
119.03533	0.2
120.01289	0.3
125.02464	0.1
131.03569	0.2
143.03537	0.1
161.02487	0.2
161.04608	0.3
162.04935	0.1
179.05638	1.0
180.05988	0.3
181.06097	0.2
209.11925	0.2
211.91649	0.1
221.06689	0.5
222.07074	0.3
223.07184	0.1
263.07678	0.6
264.08093	0.4
265.08145	0.4
266.08527	0.1
325.20599	0.1
569.77234	0.1
751.73376	0.1
833.40930	0.1
876.46411	1.1
877.46436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.5
71.01391	2.9
71.71767	0.2
72.99310	0.3
73.02955	0.7
75.00893	0.3
77.03962	0.2
77.37609	0.1
83.01391	0.6
85.02949	1.4
87.00906	0.3
88.98815	0.3
89.02454	1.2
89.03970	0.3
95.01415	0.2
95.05072	0.2
95.96424	0.1
96.96017	0.2
97.02958	0.2
99.00890	0.4
100.82800	0.1
101.02448	1.9
101.36763	0.1
104.02716	0.2
105.03489	0.6
107.05059	0.4
108.02231	0.2
109.02992	0.4
111.00907	0.5
113.02477	1.2
115.01936	0.2
116.92893	0.4
117.03489	1.8
117.22663	0.1
119.03538	0.3
119.04995	0.2
121.03014	0.2
122.03803	0.3
123.04546	0.8
125.02486	0.5
129.01955	0.2
132.02177	2.0
133.02979	35.5
134.03679	1.7
135.04547	11.8
135.05627	0.3
136.04855	0.6
137.02451	0.6
138.03218	0.2
142.06676	0.2
143.03465	0.2
145.03009	0.3
147.04549	0.3
149.02501	0.4
149.06117	0.6
150.03247	0.9
151.00417	0.2
151.04054	0.2
159.03044	0.2
160.01689	1.9
161.02464	100.0
162.02797	5.6
163.03990	0.3
164.04854	0.2
165.01955	0.3
165.05598	0.7
166.02646	0.1
167.03502	0.2
173.06203	0.2
175.02596	0.2
175.04025	1.8
176.04733	0.2
177.01935	0.2
177.05533	0.6
178.02774	0.3
179.03519	7.0
179.07111	0.2
180.03963	0.4
181.05084	0.2
186.05742	0.1
190.02789	0.2
191.03748	0.2
191.07101	0.3
193.05055	1.0
195.06647	0.6
204.06609	0.1
205.05087	0.3
207.06616	0.1
221.04501	0.6
225.07634	0.3
227.16516	0.1
235.06148	0.4
251.05620	0.2
265.07199	0.2
267.07095	0.2
281.06696	0.4
299.01968	0.1
301.03189	0.1
323.07846	0.2
341.09467	0.3
383.10727	0.1
389.21619	0.2
397.25995	0.1
494.07614	0.1
533.23840	0.2
547.23291	0.1
551.24530	0.5
589.26569	1.8
590.27069	0.4
683.23468	0.2
695.23370	0.8
696.24213	0.2
713.30731	7.3
714.31116	1.4
875.33722	28.9
876.34088	8.5
876.51892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	15.6
64.76212	0.3
67.30125	0.3
68.99834	0.4
69.03473	1.4
71.01389	29.8
71.04972	0.3
71.72026	0.4
72.01723	0.3
72.99316	4.5
73.02953	8.9
75.00878	0.6
81.03446	0.5
83.01395	4.2
83.05029	0.5
84.02167	0.4
85.02962	18.2
86.00121	1.4
86.03299	0.6
87.00885	3.9
87.04518	3.2
88.98812	1.3
89.02460	8.6
95.01404	2.7
95.05028	1.2
97.02488	0.3
97.02976	2.6
99.00904	2.5
99.04557	0.5
101.02460	26.7
101.06097	0.5
102.02781	0.5
103.04020	4.1
109.02965	0.5
111.00931	0.7
111.04536	0.4
112.01663	1.4
113.02472	13.0
113.06087	0.5
114.02760	0.4
115.04009	0.6
117.03420	0.4
119.03526	1.7
119.05009	0.8
123.08185	0.7
124.01731	0.3
125.02456	2.0
127.03992	0.6
129.01938	0.5
129.05592	0.5
131.03491	1.0
132.02165	0.3
133.02979	2.7
134.03725	0.8
135.03024	0.4
135.04549	1.5
136.01582	0.4
137.02522	0.4
143.03522	2.7
145.02969	0.8
147.27167	0.3
149.02399	0.3
149.06061	0.4
150.03212	0.4
151.03969	0.3
160.01677	1.1
161.02495	6.7
161.04567	9.2
162.02826	0.9
163.04050	0.4
163.06129	0.7
165.05615	1.0
173.78383	0.3
175.04021	1.3
179.03554	0.6
179.05542	0.3
180.04248	0.5
181.05128	0.4
190.02837	0.3
191.03619	0.3
193.05112	0.6
195.06642	0.6
204.06567	0.4
209.11827	0.5
212.44701	0.3
224.06415	0.3
322.16080	0.3
355.26248	0.6
358.90823	0.3
373.27499	0.5
381.28235	0.4
385.27573	0.4
399.28976	0.3
489.35638	0.8
505.31747	0.5
517.31934	0.3
518.24512	0.3
520.17767	0.3
543.32739	0.5
561.34381	0.9
579.35565	0.4
595.61987	0.4
637.39209	0.3
649.39917	1.8
667.40765	3.8
668.41388	1.0
697.30573	0.6
711.30347	0.6
748.18964	0.3
783.45990	1.2
795.45654	44.4
796.45947	11.3
813.46680	100.0
814.47058	28.2
873.33954	1.9
874.34161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	14.6
68.34650	0.3
69.03465	0.5
70.86514	0.4
70.86860	1.1
71.01390	67.3
71.48264	0.3
72.01728	1.0
72.99313	3.4
73.02954	9.9
75.00884	1.1
83.01394	5.8
85.02962	16.9
86.00109	1.5
87.00886	12.5
88.98809	0.6
89.02457	69.4
90.02777	1.0
95.01404	5.0
97.02962	1.3
99.00891	4.0
101.02459	47.8
102.02806	1.0
107.03532	0.8
111.00914	0.6
113.02470	33.7
114.02789	0.8
119.03519	24.5
120.03875	0.6
125.02480	2.1
129.01953	0.7
131.03525	16.9
132.03912	0.3
133.02892	0.6
143.03534	7.3
149.02475	1.1
149.04567	2.1
159.03023	2.8
161.02426	0.9
161.04581	29.0
162.04900	0.6
164.04782	0.8
175.00360	1.1
179.05634	97.7
180.05951	2.3
181.12376	0.4
190.02711	2.3
205.05177	1.7
209.11841	0.4
221.06679	57.6
222.07033	2.3
223.06194	0.9
225.11485	0.5
242.45465	0.3
263.07715	100.0
264.08023	6.4
301.19440	0.4
323.09848	12.1
324.10129	1.0
341.10941	7.7
342.11227	0.7
350.64594	0.3
409.19153	0.4
768.02026	0.4
813.46710	15.2
814.47205	4.6
829.42169	0.4
873.45087	2.5
874.45422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	36.0
69.63007	5.1
71.01371	10.5
71.70972	7.0
71.71372	6.8
78.29224	4.6
85.02953	8.0
89.02462	8.0
111.00884	4.7
114.93407	6.0
116.92866	32.6
120.78447	4.2
125.02483	5.1
129.65703	4.7
134.04803	12.7
171.10292	18.4
179.24637	5.1
197.11888	19.7
211.13312	6.8
253.09206	19.4
277.21677	19.8
291.19669	22.5
309.20740	100.0
310.21002	10.0
379.12381	6.8
397.13580	8.8
471.34689	13.0
528.89404	5.1
545.29541	9.8
789.36957	5.2
873.48376	78.8
874.48291	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	12.4
69.03497	0.4
71.01385	66.0
72.01722	1.1
72.32262	0.3
72.99307	3.5
73.02956	9.1
75.00872	0.8
81.03474	0.4
83.01396	5.8
84.02181	0.4
85.02959	17.7
86.00105	1.5
86.03327	0.3
87.00885	12.0
88.98830	0.6
89.02454	72.6
90.02802	1.2
95.01394	4.7
97.02977	1.2
99.00883	3.5
101.02454	49.1
102.02788	1.0
107.03529	0.5
111.00891	1.2
113.02464	30.5
113.17779	0.3
114.02827	1.0
115.04052	0.4
118.05135	0.5
119.03520	25.3
120.03867	0.5
125.02483	1.2
129.01949	1.0
131.03522	15.1
143.03520	8.5
149.04591	2.3
159.03006	3.2
161.04575	27.9
162.04932	0.8
175.04005	0.4
179.05626	100.0
180.05980	3.0
205.03503	0.5
209.11887	0.5
216.84181	0.3
221.06671	55.5
222.06995	2.2
230.04469	0.6
263.07706	97.4
264.08054	5.4
312.80524	0.4
323.09851	9.2
324.10062	0.4
341.10898	5.2
525.30255	0.6
633.40009	0.4
687.36176	4.5
688.36572	0.7
795.45697	4.7
796.46210	1.1
813.45892	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	871.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	30.5
68.99828	0.5
69.03447	0.8
71.01387	30.0
72.01720	0.4
72.99314	4.6
73.02951	8.3
75.00869	1.1
81.03478	0.7
81.41891	0.3
83.01393	4.6
83.05045	0.5
85.02959	13.9
86.00084	0.5
87.00886	3.4
87.04505	0.5
88.98824	1.6
89.02454	13.5
90.02777	0.4
93.03466	0.4
95.01417	2.5
95.05021	0.3
96.96018	0.7
97.02966	1.3
98.19831	0.8
99.00890	2.2
99.04509	0.4
101.02457	24.4
103.04022	3.8
109.02988	0.5
111.00878	0.5
113.02464	11.3
114.02798	0.5
115.04025	0.6
116.92890	0.7
117.03475	0.8
119.03513	3.7
119.05023	0.8
121.02994	0.4
123.04508	0.4
125.02467	2.0
127.04065	0.3
131.03508	1.2
132.02229	0.5
133.02045	0.4
133.02974	5.0
134.03668	0.5
135.03036	0.4
135.04536	2.3
143.03532	2.9
145.02951	0.7
145.05045	0.4
149.02483	0.6
150.03230	0.5
160.01651	0.4
161.02472	13.3
161.04544	5.2
162.02821	0.6
163.04044	0.6
163.06139	1.2
164.04654	0.3
167.18071	0.3
171.10242	1.4
175.04010	0.5
179.03555	1.0
179.05588	0.9
190.02744	0.6
204.06763	0.4
205.07094	0.6
208.99881	0.3
209.11830	2.5
211.13417	0.4
217.01347	0.5
227.12848	0.5
229.93526	0.5
267.07217	0.5
285.84927	0.3
337.07089	1.0
379.12512	0.3
397.13458	0.8
457.11099	0.7
471.31082	0.9
503.30191	0.5
607.85638	0.4
649.40320	0.6
665.38995	6.0
666.39355	0.9
682.04486	0.4
811.45062	100.0
812.45428	27.1
871.42865	8.3
872.43665	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	872.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.2
71.01392	0.4
72.99310	2.3
75.00881	0.2
86.43375	0.1
89.02450	0.4
101.02483	0.3
101.48528	0.1
104.23197	0.1
113.02506	0.2
116.05086	4.0
117.05386	0.2
119.03516	0.2
122.35094	0.1
125.02495	0.1
127.23219	0.1
128.05089	1.6
130.06644	1.5
132.04579	0.4
142.06644	100.0
143.06992	5.5
143.08121	0.2
144.04570	0.5
158.06133	11.5
159.06487	0.6
160.90993	0.1
161.02368	0.2
161.04654	0.1
165.54471	0.1
172.04056	0.5
179.05777	0.2
186.05618	41.7
187.05971	2.1
204.06667	64.1
205.05365	0.1
205.06996	4.0
246.07704	39.1
247.08041	2.6
253.43661	0.2
287.10925	0.1
401.16202	0.2
526.94507	0.2
581.22089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	37.3
70.79346	19.3
70.79729	4.8
71.01386	13.7
75.00888	6.2
89.02462	14.3
101.02498	5.3
103.66738	4.8
116.92886	7.9
119.93394	4.7
136.86087	4.5
169.12376	24.0
173.77348	5.1
190.63182	4.8
197.11841	17.0
209.11913	10.7
211.13344	8.2
235.08221	7.3
253.09335	14.6
277.21719	20.6
289.18036	25.0
291.19730	6.0
307.19122	20.3
309.20663	36.9
373.86188	5.1
407.08148	5.3
731.06165	6.3
871.46747	100.0
872.47961	27.6
904.75293	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	871.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	68.1
71.01384	18.6
71.71394	12.7
89.02429	12.9
98.15304	7.2
101.07258	7.0
112.30881	7.7
116.92861	26.7
128.90199	7.2
152.68561	7.3
169.12357	17.3
197.11833	20.9
211.13431	11.1
213.11377	11.9
243.31476	7.8
253.09410	12.1
255.23169	8.8
277.21786	23.5
288.20789	9.4
289.18115	24.7
291.19464	12.5
307.19110	30.2
309.20688	36.0
552.25702	7.6
871.46783	100.0
872.46918	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	870.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98540	0.2
69.75184	0.1
71.01378	0.3
71.72245	0.1
85.02999	0.1
89.02473	0.2
101.02487	0.2
105.14826	0.1
142.29468	0.1
171.10263	0.7
172.10718	0.2
211.13426	0.6
212.13805	0.2
233.91679	0.1
255.23302	0.3
256.23651	0.2
257.23886	0.1
273.35046	0.1
277.21854	0.3
278.22330	0.2
316.35611	0.1
361.91476	0.1
367.06558	0.1
397.13586	0.4
398.14014	0.2
399.14154	0.2
409.45822	0.1
415.15121	0.1
523.70337	0.1
699.59229	0.1
806.63947	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	871.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	31.7
67.01881	1.3
68.99817	1.7
69.03455	2.2
71.01390	44.2
71.71233	0.7
72.01740	0.8
72.99315	9.7
73.02955	4.3
75.00880	23.4
79.05548	1.2
81.03477	1.2
83.01409	4.2
83.05029	1.0
84.02184	0.8
85.02968	43.2
86.03278	0.7
87.00381	0.9
87.00892	14.5
88.98827	2.7
89.02462	12.9
91.04031	2.1
93.03469	2.1
95.01400	8.5
95.05039	1.3
95.46075	0.6
97.02950	0.6
99.00900	16.6
99.04527	1.2
101.02445	7.5
103.00388	3.8
105.07072	0.5
107.05046	1.8
108.53709	0.5
109.02954	1.3
111.00892	1.9
112.01717	1.3
113.02473	50.5
113.06015	0.6
114.02798	1.6
115.00391	2.1
116.92890	1.0
117.01955	3.8
117.03452	0.6
117.07124	0.5
119.03541	1.7
119.05034	2.4
121.02953	0.8
123.04546	0.7
123.08192	0.6
125.02444	1.8
129.01962	2.7
130.99866	0.9
131.03516	1.8
132.02190	0.5
133.02969	4.8
134.03751	2.2
135.04558	3.4
139.00397	1.0
139.04019	0.8
139.07668	0.6
145.02950	2.3
147.04546	0.6
149.02513	0.8
149.04573	1.4
149.06090	0.7
150.03198	1.1
151.04024	1.1
153.05537	0.6
157.01451	1.1
157.06557	1.3
160.01671	2.2
161.02469	13.1
161.04573	2.3
161.09705	1.0
161.13385	12.4
162.13736	0.9
163.04018	0.9
165.01828	0.7
165.05582	1.6
167.03526	0.7
169.10226	1.1
175.02473	2.8
175.04041	2.7
177.05600	0.7
179.03525	3.0
179.05629	0.8
183.24631	0.6
185.09706	0.7
187.07718	0.6
187.11324	13.2
188.11655	0.9
189.09195	0.7
190.02737	1.2
191.03383	0.7
191.07286	0.8
193.05109	1.7
195.06630	1.0
204.06656	0.6
205.05167	1.2
205.07150	5.1
205.12350	16.1
206.12549	0.7
207.05157	2.0
209.11758	0.8
213.09262	1.5
217.01489	1.6
219.13887	0.7
221.04587	1.1
223.06250	0.7
231.05009	0.9
231.10207	0.9
235.06155	0.8
249.06134	13.6
249.11484	0.6
267.07205	59.3
267.45865	0.6
268.07489	3.2
337.07297	1.9
339.08383	0.6
381.80185	0.5
393.19086	1.2
437.18304	2.7
457.11334	2.2
481.17166	5.4
482.18167	0.6
487.34766	1.0
503.30179	1.2
552.23096	0.6
614.27399	0.7
646.29376	0.8
649.39667	0.9
695.29449	1.2
811.44336	0.9
853.39996	0.8
871.40100	100.0
872.40497	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.01388	4.3
72.99310	0.8
73.02962	1.4
76.53723	0.3
83.01426	0.6
83.05035	0.4
85.02970	2.4
87.00908	1.1
88.98827	1.4
89.02445	1.8
95.01414	0.8
99.00900	0.8
101.02460	3.7
105.01935	0.5
107.03810	0.7
108.04543	0.4
110.06143	1.1
111.00912	0.9
113.02464	1.9
117.03455	0.6
119.03579	0.5
119.05046	0.8
120.08240	1.2
121.05374	0.4
122.06139	8.3
123.04566	0.4
125.02489	1.1
132.02214	0.8
133.02974	4.6
134.03751	1.5
134.06186	0.8
135.02951	0.4
135.04533	3.2
136.07738	0.5
137.02484	1.0
142.06653	0.4
144.04581	1.3
145.03008	1.1
146.06145	0.5
147.04597	0.4
149.02475	0.4
149.06122	0.8
150.03203	0.6
160.01707	2.1
160.04039	0.4
161.02469	13.5
161.04570	0.6
162.05682	0.6
163.04037	0.6
165.01961	2.1
165.04207	0.4
165.05579	0.7
166.02661	0.3
167.03552	0.7
174.05750	0.5
175.02740	0.3
175.04016	1.9
177.05632	0.9
179.03514	3.6
179.05069	0.4
179.05731	0.5
180.04286	1.5
181.05099	0.7
183.93401	0.3
193.05145	1.2
193.07219	1.6
195.06699	1.6
201.11365	0.4
203.05823	2.1
204.06757	1.0
205.05043	0.4
207.06856	0.4
209.12054	0.4
215.11876	0.6
216.74854	0.3
217.01396	0.4
221.04675	0.9
225.07645	0.9
230.70450	0.3
235.06140	0.9
235.08508	0.4
236.09412	0.6
237.10379	0.8
249.10361	0.9
250.11224	0.5
251.05623	0.5
251.11876	2.7
252.12404	0.4
262.07434	0.5
262.11264	0.5
263.08212	0.9
263.11734	1.6
264.09219	0.8
264.12436	0.3
265.09753	0.8
265.13519	0.7
266.10886	0.4
267.07202	0.5
267.11453	0.5
269.13150	0.9
273.67236	0.3
275.08304	1.8
275.11746	0.4
276.09097	1.2
277.09814	6.6
278.10428	2.3
279.11334	0.7
281.06763	0.9
283.10825	0.5
290.10553	2.7
291.11337	6.3
291.14429	0.4
292.12115	3.8
293.12961	1.2
294.09955	0.3
295.10895	0.5
310.09647	0.6
313.11877	0.7
317.02768	0.3
317.09451	0.9
318.10123	6.4
319.10748	2.3
321.08832	0.4
324.11261	0.6
325.11972	0.9
335.10361	2.0
336.11209	2.4
337.07248	0.8
337.11838	0.7
343.12955	1.1
344.13919	0.4
346.15677	0.7
350.09033	0.5
357.14127	0.4
358.15875	0.8
360.17105	0.5
372.17255	0.7
374.18756	0.7
384.13162	0.4
386.15137	0.9
386.19464	0.4
388.16714	0.9
389.16586	0.3
398.15161	1.0
399.15945	1.0
400.16742	2.5
401.16794	0.7
406.17816	0.5
413.17740	0.5
414.18356	2.5
415.19107	0.4
418.17731	1.9
428.16113	0.6
430.17929	0.4
440.16122	1.7
441.16974	0.9
457.11490	0.6
458.17194	2.8
459.17944	1.2
460.18466	0.5
463.20938	0.8
471.17072	0.3
472.18982	0.8
476.18701	0.5
487.34186	2.2
490.19849	5.0
491.20419	1.0
508.21515	0.6
512.17700	1.8
563.23639	1.0
581.24097	2.5
582.24512	0.6
594.24738	0.8
595.25641	0.5
612.26611	1.0
613.26685	1.8
634.23883	0.4
652.25726	1.8
665.17749	0.7
666.26624	1.7
667.26581	0.5
684.28009	10.4
685.28162	2.3
695.29559	2.4
733.31531	0.7
734.32001	0.5
757.31360	0.7
775.32025	1.0
776.32971	0.4
777.34552	2.2
778.34668	0.7
789.33734	8.5
790.33771	2.3
807.34857	38.3
808.35217	10.8
811.44476	0.5
871.33643	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	868.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98532	0.2
70.86055	0.2
80.96516	0.1
87.15243	0.1
91.47632	0.1
102.93544	0.1
108.71175	0.1
109.44968	0.1
116.29264	0.1
170.04118	0.1
197.11916	0.1
240.54903	0.1
370.39795	0.1
409.29419	0.1
528.50214	0.1
868.50494	0.1
869.47620	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	868.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98556	0.2
70.35775	0.1
71.72250	0.1
134.89488	0.1
302.03223	0.1
322.91742	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	870.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.1
65.00334	0.4
71.01385	0.3
71.16389	0.1
71.67263	0.1
83.01382	0.3
89.02419	0.2
95.85370	0.1
97.73830	0.1
98.20615	0.4
103.27364	0.1
107.01407	1.2
108.02158	0.8
109.02981	0.2
116.05043	0.5
121.02992	0.3
125.02535	0.1
130.06589	0.1
135.00877	0.4
142.06647	8.6
143.06975	0.4
148.01704	0.7
151.00389	3.4
158.06128	1.3
159.04492	0.1
163.00349	0.4
164.01158	0.3
165.83804	0.1
169.01477	0.3
175.05721	0.1
178.99870	2.6
186.05614	2.8
199.04001	0.3
203.03760	0.2
204.06660	4.8
205.07037	0.2
211.04083	0.3
215.03596	0.3
216.04271	0.3
226.02699	1.0
227.03528	1.3
229.05107	0.2
229.78481	0.2
243.02980	6.3
244.03426	0.6
245.04308	0.2
246.07684	1.8
247.07878	0.2
254.02274	1.6
255.02975	17.6
256.03326	1.2
271.02466	38.9
272.02911	3.5
299.02014	2.0
300.02756	100.0
301.03238	10.8
302.03931	0.2
325.03278	0.2
355.04541	0.4
411.07498	0.2
429.08017	0.3
447.08881	0.2
579.13586	98.9
580.13928	18.3
626.71674	0.2
652.41211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47010	0.5
61.98833	8.8
63.21822	0.5
69.03462	0.5
70.35938	1.9
71.01387	16.5
72.99321	1.4
73.02959	3.2
75.00851	0.5
75.12203	0.4
81.03484	0.6
82.78193	0.5
83.01402	2.2
84.56010	0.5
85.02959	4.6
87.00887	5.1
89.02459	14.9
95.01402	1.7
97.02964	3.0
98.19910	0.5
99.00903	0.8
99.04500	0.5
101.02459	12.7
102.02747	0.6
111.04482	0.6
113.02470	8.4
113.24590	0.4
115.04054	0.6
119.03510	4.0
125.02460	8.2
125.09794	0.6
127.11285	1.5
131.03546	0.7
134.89473	0.8
136.29343	0.5
141.01999	0.6
143.03545	2.9
149.04601	0.7
153.09206	0.6
161.04562	3.5
167.03510	0.6
171.10287	100.0
172.10652	4.1
179.05606	3.7
199.05943	0.5
208.29428	0.5
217.07133	1.8
221.06691	1.1
235.08258	5.9
238.16505	0.5
241.75459	0.5
253.09363	0.8
255.23293	62.6
256.23648	5.3
259.08289	0.7
263.07770	0.5
269.24838	0.9
277.21658	0.6
287.07614	1.9
293.21365	1.0
295.22797	1.1
297.24353	0.6
301.09341	0.9
305.08722	2.2
323.09775	1.4
361.11520	0.9
361.83572	0.5
379.12466	20.1
380.12857	1.4
382.62231	0.5
397.13522	40.3
398.13824	2.9
415.14542	6.4
416.14874	0.8
551.23358	5.2
552.23724	0.8
569.24707	2.5
635.36584	4.9
636.36591	0.6
653.37665	6.8
654.37878	1.0
867.48236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98534	0.2
62.99275	0.1
71.01406	0.2
75.00884	0.1
80.96541	0.1
85.02969	0.1
87.00903	0.1
88.98823	0.1
89.02449	0.1
94.98199	0.1
96.96006	0.1
98.20602	0.2
101.02460	0.2
111.00919	0.1
113.02488	0.1
116.92878	0.2
118.46636	0.0
119.03481	0.1
161.02454	0.1
209.11896	0.1
229.97990	0.1
398.44696	0.1
726.72852	0.0
868.42377	0.1
869.40643	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	866.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63441	0.1
61.98831	100.0
62.98544	0.2
62.99241	0.1
70.32540	0.1
71.61245	0.1
71.61579	0.1
79.95735	0.2
80.96518	0.9
94.98088	0.2
97.88792	0.1
125.02540	0.1
160.50209	0.1
162.74471	0.1
164.98630	0.1
198.36691	0.1
225.00720	0.2
274.18781	0.1
277.21686	0.1
404.82892	0.1
416.26761	0.1
416.44659	0.1
452.41898	0.1
776.54669	0.1
865.50208	0.2
866.50653	1.0
867.50854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15248	0.1
61.98833	100.0
62.98546	0.2
70.73311	0.3
70.86065	0.1
75.68528	0.1
79.95743	0.2
80.96523	0.7
94.98150	0.2
100.08736	0.1
116.92877	0.1
122.86956	0.1
152.98718	0.1
164.98738	0.2
219.46095	0.1
225.00972	0.1
247.08948	0.1
278.22726	0.1
650.51581	0.1
866.50385	0.8
867.51300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33609	0.3
61.98829	0.8
66.39436	0.2
66.44767	0.2
68.99806	0.3
69.03467	0.9
69.21026	0.3
71.01389	15.0
72.99321	1.3
73.02954	2.2
75.00873	0.3
79.85830	0.3
80.02687	1.1
80.09577	0.2
80.15003	0.2
81.03479	2.1
83.01395	2.2
83.05032	5.2
84.02154	0.4
85.02958	3.9
87.00883	3.8
89.02456	12.7
90.02773	0.3
95.01412	1.2
95.05029	0.8
97.02962	2.2
99.00891	1.1
101.02459	11.7
103.29025	0.3
109.06618	0.4
109.22379	0.3
109.85143	0.3
111.00883	0.3
111.04537	0.4
113.02467	7.5
115.03972	0.3
119.03517	3.7
121.02934	0.4
123.78867	0.3
125.02459	5.3
125.06094	0.6
127.04025	0.4
130.45084	0.3
131.03497	0.6
133.05069	0.5
135.08138	0.5
137.02461	0.3
139.04021	0.4
141.01923	0.6
143.03545	2.4
145.05128	0.2
147.11798	0.3
149.04510	0.3
150.10149	0.3
161.04568	3.1
163.11313	4.0
165.12869	2.0
167.03596	0.5
179.05656	3.5
181.05144	0.3
181.12341	0.5
191.10820	1.0
199.06181	0.7
199.13374	0.4
205.86600	0.3
209.11847	100.0
210.12186	6.2
217.07181	1.2
221.06647	1.2
227.12900	15.7
228.13222	0.7
235.08235	5.9
236.08733	0.4
251.12762	0.6
253.09294	0.9
255.23300	52.1
256.23648	4.9
259.08255	0.8
263.07657	0.4
269.24936	0.5
283.68445	0.3
287.07706	1.8
290.36523	0.3
293.66962	0.3
305.08731	2.1
323.09909	1.5
379.12473	8.4
379.17273	0.5
380.12668	0.8
397.13535	38.7
398.13858	2.9
415.14624	7.5
416.15079	0.5
589.25177	0.9
607.26227	1.7
635.36804	0.4
653.37219	1.8
863.49231	0.8
889.43671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.0
64.38304	0.1
68.99807	0.3
69.03458	0.9
70.79039	0.3
70.79424	0.6
71.01388	15.4
72.01711	0.3
72.99313	1.3
73.02950	2.5
75.00882	0.3
80.02708	0.8
81.03463	2.0
83.01392	2.1
83.04546	0.3
83.05038	4.3
84.02180	0.6
85.02453	0.2
85.02957	3.4
87.00889	3.7
89.02454	12.0
90.02829	0.2
91.04025	0.3
93.03473	0.2
95.01394	0.8
95.05042	0.7
97.02961	2.5
97.06626	0.2
99.00898	1.0
99.04516	0.3
101.02459	12.2
102.45667	0.2
109.02959	0.3
109.06629	0.4
111.04557	0.5
113.02464	7.1
114.02803	0.2
115.03999	0.3
116.81179	0.2
119.03516	3.4
121.02950	0.2
123.04539	0.2
125.02461	5.6
125.06122	0.3
125.09723	0.2
127.04011	0.2
131.03532	0.5
133.05078	0.5
135.08189	0.6
139.04048	0.5
141.01959	0.4
143.03549	2.4
143.04631	0.3
145.05080	0.4
149.04649	0.4
161.04599	3.0
163.11308	3.3
164.11621	0.3
165.12840	1.9
167.03503	0.4
169.05061	0.2
179.05629	3.6
181.05022	0.3
181.12399	0.8
185.04526	0.2
191.10844	0.9
199.06108	0.5
199.13371	0.2
203.05727	0.3
209.11844	100.0
210.12173	6.8
217.07141	0.8
219.05089	0.3
221.06648	1.3
227.12904	12.8
228.13223	0.7
235.08240	4.9
236.08617	0.2
245.06599	0.3
251.12950	0.4
253.09221	0.8
255.23294	54.4
256.23636	4.4
259.08224	0.4
263.07767	0.5
269.24875	0.7
287.07727	1.5
297.24350	0.3
301.09302	0.2
305.08801	2.0
306.09204	0.2
323.09860	1.1
361.11462	0.4
379.12469	9.4
380.12888	0.8
396.35345	0.2
397.13531	40.0
398.13885	3.9
415.14594	8.4
416.14822	0.7
589.25580	1.1
590.25696	0.3
607.25940	1.4
608.26813	0.2
635.36707	0.7
653.37634	2.3
654.37964	0.5
863.49799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08822	0.3
65.00334	0.8
66.35903	0.3
69.69931	0.7
69.70342	1.6
73.47044	0.3
83.01397	0.4
98.20615	0.5
103.33668	0.3
107.01427	1.8
108.02190	0.5
109.02967	0.7
119.05045	0.4
121.02975	1.1
124.30756	0.3
135.00919	0.3
141.40186	0.4
147.04541	3.6
148.01695	0.7
151.00392	6.1
163.00377	1.5
165.05544	1.6
178.99866	3.0
207.06633	0.7
226.02711	1.1
227.03568	1.7
229.05177	0.5
243.03000	5.3
244.03526	0.6
245.04599	0.7
254.02188	1.2
255.02988	16.3
256.03369	1.4
271.02472	32.3
272.02972	3.2
283.02643	0.8
297.67822	0.3
299.02176	0.6
300.02765	60.6
301.03476	25.0
302.03882	1.1
343.04364	0.5
609.14771	100.0
610.15039	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	861.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98539	0.7
63.99257	1.3
65.03997	0.7
67.45752	0.6
69.03464	1.5
71.01389	17.6
71.71535	0.7
72.99319	1.4
73.02946	2.9
81.03455	0.9
83.01398	2.9
83.05051	2.1
85.02966	4.6
87.00891	3.9
88.98827	2.0
89.02457	8.7
93.03469	0.9
95.01406	1.8
97.02972	2.0
97.06625	1.5
99.00925	1.4
101.02457	10.4
109.06605	0.5
111.00895	0.9
111.08182	0.9
113.02480	5.2
119.03541	1.7
119.05071	1.5
120.40974	0.5
121.02950	0.7
123.08219	0.8
125.02504	3.8
125.09752	4.6
129.01941	0.7
143.03535	1.3
160.01720	0.7
161.02472	1.2
161.04608	1.4
165.09212	0.7
167.40433	0.5
171.10297	10.2
171.11679	0.9
175.02596	0.7
175.04085	1.1
179.05650	1.8
187.09814	0.9
205.16055	1.3
207.13968	0.7
209.11864	3.8
211.13458	4.7
215.14514	2.8
221.06671	2.0
231.13882	1.0
233.15472	15.8
234.15843	1.8
235.13503	0.7
249.14970	5.7
251.16618	0.8
323.23987	0.8
331.26508	1.3
333.68237	0.6
341.24750	1.5
367.22604	1.2
375.25546	0.7
385.23853	5.7
386.24274	1.0
393.27005	0.7
397.13535	4.8
403.24890	10.1
404.25458	1.4
421.25937	4.1
629.28894	1.3
647.29877	0.8
773.40881	1.6
783.38397	33.4
784.38623	10.3
801.39404	31.6
802.39874	7.7
825.22467	0.7
861.41650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98541	0.2
69.55754	0.8
69.63681	0.1
71.01398	0.9
73.02951	0.1
75.00869	0.1
83.01435	0.1
85.02978	0.2
87.00880	0.1
88.98838	0.4
89.02451	0.8
90.02794	0.1
91.87982	0.1
95.01405	0.1
101.02452	0.5
113.02474	0.4
116.92906	0.1
119.03546	0.3
131.03523	0.1
143.03485	0.1
161.04591	0.2
163.11317	0.1
166.71188	0.1
171.10320	0.2
179.05621	0.8
180.06010	0.2
181.06084	0.2
209.11874	0.5
210.12192	0.1
211.13335	0.1
221.06728	0.3
222.07080	0.1
263.07825	0.4
264.08197	0.3
265.08218	0.2
275.70398	0.1
290.18698	0.1
291.19812	0.1
309.20828	0.2
309.58459	0.1
371.96310	0.1
397.13852	0.1
484.07922	0.1
520.67188	0.1
606.96350	0.1
800.50177	0.1
860.46625	0.5
861.47522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98534	0.2
62.99249	0.0
71.01402	0.2
72.99369	0.0
73.02959	0.1
85.02982	0.1
89.02473	0.1
95.01394	0.1
98.20653	0.1
101.02480	0.1
113.02470	0.1
124.75616	0.0
161.04555	0.1
200.26669	0.0
797.46350	0.2
798.46484	0.7
799.47656	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.05872	0.0
62.98539	0.2
62.99271	0.1
71.01400	0.2
71.48161	0.0
71.48466	0.0
73.02947	0.1
85.02971	0.1
88.98828	0.1
89.86102	0.0
92.91943	0.0
101.02477	0.1
113.02441	0.1
116.92850	0.0
135.04488	0.0
191.52553	0.0
232.84297	0.0
360.14346	0.0
706.60510	0.0
797.46631	0.1
798.46887	0.4
799.47552	0.1
890.57025	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	28.1
69.03451	1.9
69.43510	0.7
69.43917	3.0
71.01384	33.6
72.01728	0.6
72.99329	2.5
73.02951	6.3
75.00872	1.8
76.54880	0.4
81.03449	0.7
83.01392	5.6
85.02958	15.8
86.00109	0.5
86.03307	0.5
87.00875	2.4
88.98815	0.8
89.02450	11.4
95.01401	4.1
97.02966	3.8
98.19907	0.7
99.00897	3.5
101.02454	19.8
102.02744	0.4
108.08105	0.4
111.00891	1.2
113.02460	16.0
117.03437	0.5
119.03527	3.8
124.01669	2.3
125.02459	3.9
131.03540	0.8
131.72336	0.4
132.02150	0.4
133.02943	0.7
134.03777	1.9
143.03473	1.6
145.03003	0.4
150.03204	0.6
159.03021	1.0
160.01660	3.2
161.02449	1.3
161.04535	3.0
165.05565	0.6
175.03947	2.1
175.66373	0.4
179.03526	0.4
179.05630	1.3
188.17462	0.4
193.05054	2.0
209.11867	0.7
211.13351	0.4
223.20692	0.6
239.20053	0.8
241.21793	1.8
269.21216	1.2
271.22809	0.6
287.22269	4.2
288.22534	0.7
300.02725	0.4
305.95313	0.4
309.48926	0.4
329.23465	0.7
356.18488	0.4
403.27225	0.6
431.26257	1.1
449.27606	1.3
464.98785	0.4
558.08777	0.4
565.33075	0.7
593.31586	1.7
611.33014	4.0
755.37402	8.0
755.50092	0.3
756.37329	1.5
773.38348	6.1
774.38470	1.4
798.47449	0.6
799.47876	2.1
815.39374	100.0
816.39777	24.8
820.82086	0.5
859.44446	2.2
860.42841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99317	0.2
61.98833	100.0
62.98543	0.2
69.03481	0.1
71.01387	0.4
71.62597	0.1
71.71637	0.1
72.99361	0.1
85.02970	0.3
88.98825	0.8
89.02472	0.2
89.99162	0.1
99.00867	0.1
101.02486	0.3
104.55558	0.1
107.93098	0.1
113.02502	0.2
116.92910	0.1
119.03535	0.1
119.05035	0.2
119.24452	0.1
121.03001	0.3
122.02505	0.1
125.02554	0.1
133.03040	0.1
140.71799	0.1
160.01727	0.1
161.02522	0.1
161.04640	0.1
168.04086	0.1
174.01814	0.1
175.04118	0.2
191.03549	0.3
193.05081	0.1
209.11998	0.1
242.68848	0.1
297.26151	0.1
471.34979	0.3
472.34967	0.1
473.35419	0.1
798.47583	0.2
858.46002	0.3
859.44281	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	857.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01713	0.6
60.99301	0.4
61.98831	7.4
64.08436	0.3
69.03448	0.5
71.01387	68.2
72.01728	1.4
72.99309	4.3
73.02953	8.8
73.03341	0.6
75.00861	1.0
78.78378	0.3
81.03457	0.6
82.95425	0.5
83.01395	4.8
85.02962	17.3
86.00113	1.3
87.00887	10.8
88.98804	0.9
89.02455	66.3
90.02794	1.0
91.77335	0.3
95.01400	4.8
97.02955	1.4
98.19850	0.9
99.00887	3.9
101.02458	47.9
102.02803	0.8
105.01987	0.3
107.03532	0.7
111.00891	0.6
113.02468	28.8
114.02827	0.8
115.00439	0.4
115.04021	0.4
116.92885	0.5
119.03519	25.9
120.03846	0.6
121.35902	0.3
125.02502	1.5
129.01955	0.8
131.02528	0.7
131.03525	15.4
143.03522	7.1
149.04575	2.4
159.03003	2.7
161.04584	27.6
162.04961	1.1
170.83501	0.3
176.28017	0.3
179.05630	100.0
180.05968	2.7
209.11948	0.6
210.21915	0.4
221.06676	48.4
222.07034	1.6
230.44217	0.4
263.07715	84.2
264.08060	4.2
264.10611	0.5
323.09860	6.5
324.10172	0.4
338.69495	0.4
341.10883	4.0
537.94531	0.3
671.36389	4.6
672.36932	0.8
779.46136	4.5
780.46649	1.1
797.47247	0.4
857.46667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99321	0.3
61.98836	3.1
67.64104	0.2
69.52364	0.7
69.52784	1.4
70.45822	0.2
71.01394	1.3
72.99316	2.8
73.02966	0.3
75.00888	0.4
83.01378	0.3
85.02949	1.1
87.00893	0.4
88.98833	0.9
89.02460	0.7
93.03447	0.3
94.23546	0.2
95.01400	0.2
99.00875	0.3
101.02491	1.0
109.53439	0.2
111.00909	0.6
113.02473	0.7
116.05089	3.9
116.92930	0.5
117.03472	0.5
119.03556	0.3
119.05045	0.6
121.02943	0.3
123.04548	0.4
125.02493	0.3
128.05077	1.2
130.06647	1.8
132.02173	0.5
132.04578	0.3
133.02983	7.1
134.03712	0.9
135.04549	3.6
136.01689	0.2
137.02464	0.4
142.06648	100.0
143.03661	0.2
143.06987	6.4
144.04608	0.7
145.02989	0.5
147.04561	0.7
149.02464	0.4
149.06100	0.6
150.03212	0.5
151.04036	0.3
152.01143	0.3
157.12402	0.8
158.06142	11.9
159.04504	0.2
159.06493	0.6
160.01723	1.2
161.02472	28.9
162.02798	2.0
163.04062	0.5
164.04903	0.3
165.05630	0.7
172.04083	0.4
175.02609	0.5
175.04033	1.4
175.07603	0.4
177.01909	0.6
177.05598	0.7
179.03511	3.3
180.04210	0.2
185.11830	0.7
186.05629	38.9
187.05965	2.6
190.02765	0.3
191.03578	0.3
193.05081	0.7
202.04997	0.3
203.12914	5.4
203.80373	0.2
204.06680	64.7
204.13141	1.8
205.05183	0.3
205.07002	4.8
207.50140	0.2
221.04530	0.8
223.06093	0.2
235.06137	0.3
245.13925	3.2
246.07718	44.1
246.14265	1.5
247.08086	3.6
248.08168	0.2
251.05656	0.3
271.02487	0.3
281.06689	0.4
293.09229	0.2
296.07898	0.2
299.02005	0.2
300.02887	0.3
337.09494	0.4
470.90778	0.2
475.25565	0.4
510.20065	0.2
567.24530	34.5
568.24890	7.4
693.13257	0.6
697.25513	0.5
767.15454	0.3
859.30786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	30.8
67.01889	0.6
69.03442	2.3
71.01388	35.8
71.05012	0.5
71.71199	0.9
72.01707	1.1
72.99321	3.1
73.02950	7.5
75.00867	1.8
81.03458	1.1
83.01396	5.8
83.51681	0.5
85.02959	19.0
86.00043	0.8
87.00881	4.1
88.98801	1.4
89.02458	14.0
94.95972	0.4
95.01382	3.5
97.02962	3.8
99.00896	3.6
101.02458	23.3
102.02817	0.7
109.02968	0.8
111.00886	1.8
113.02461	16.3
115.03980	0.7
116.92847	3.2
117.03491	1.1
119.03510	3.2
119.05041	1.5
122.06153	0.7
123.00939	0.8
123.04548	1.1
124.01655	2.2
125.02469	4.8
131.03513	0.7
132.02176	0.5
133.01390	0.8
133.02950	1.7
134.03773	1.1
135.04524	1.5
136.01677	0.6
137.02489	0.8
143.03519	1.8
145.03015	2.6
147.04518	0.6
150.03201	1.2
151.04001	0.6
159.02971	1.5
160.01651	1.4
161.02490	7.2
161.04558	3.2
161.05798	0.6
163.04036	1.0
165.05560	1.9
175.02524	0.9
175.03975	1.6
179.03502	1.2
179.05635	1.2
193.05101	1.1
195.06589	0.7
204.06635	1.8
216.72920	0.6
267.19690	0.6
269.21228	0.6
285.20667	4.3
327.21677	0.7
401.25403	0.9
429.25192	1.2
447.26004	1.7
481.02185	0.5
591.29590	2.6
609.31555	3.5
610.31415	1.0
632.28552	0.7
633.30804	0.6
659.27625	1.0
725.35773	0.7
753.35828	6.8
754.36249	1.2
767.33215	0.7
771.36932	7.4
772.36957	2.1
797.45978	1.6
813.37842	100.0
814.38226	22.0
857.33551	2.3
858.34503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	88.5
65.07881	0.2
71.01388	2.5
71.71193	0.3
71.71558	0.3
72.99314	0.5
73.02965	0.8
75.00881	1.1
77.33893	0.3
83.01405	0.8
85.02950	1.7
87.00867	0.6
89.02477	0.6
95.01404	0.4
95.05058	0.4
96.33630	0.3
96.96020	0.8
99.00940	0.5
101.02464	0.9
107.03796	0.8
110.06121	1.5
111.00938	0.5
112.58061	0.3
113.02461	2.4
119.05057	0.5
120.08210	6.0
121.05363	1.1
122.06148	17.3
123.06503	0.9
125.02454	0.5
129.09268	0.8
133.02969	2.0
134.03767	0.4
134.06165	0.8
135.04604	0.7
136.07663	0.5
137.02579	0.4
144.04610	1.4
145.02963	0.9
147.04553	0.4
147.42632	0.3
149.02496	0.5
150.03203	0.3
151.04074	0.3
152.07126	0.3
160.01665	0.4
161.02461	5.2
161.04662	0.5
162.02869	0.3
162.05600	0.7
163.03987	0.4
164.07204	0.7
165.05600	1.0
173.04887	0.3
174.05640	1.4
175.04005	0.5
177.05659	0.3
179.03543	1.0
188.03555	0.8
193.05005	0.4
195.06711	0.4
203.05898	2.2
204.06609	1.0
209.10872	0.4
215.11842	0.5
217.01677	0.4
221.04622	0.3
223.08833	0.8
235.06224	0.5
235.12399	0.4
236.09494	1.2
237.10349	1.5
238.11099	0.5
239.11870	0.6
241.13503	0.6
249.06273	0.4
249.10216	0.4
249.14049	0.7
250.07567	0.3
250.11107	0.5
251.11931	6.7
252.12381	0.8
253.09793	0.4
253.13458	0.4
262.10895	0.3
263.08246	1.4
263.11874	1.1
264.08987	1.7
264.12558	0.5
265.09744	0.8
265.13385	1.1
266.10287	0.4
267.07166	1.0
267.11319	0.5
268.08466	0.5
269.08981	0.3
269.12970	1.2
275.08292	0.6
275.11728	0.3
276.09103	1.4
277.09805	7.7
278.10526	2.7
279.11267	1.7
280.11896	0.5
281.09302	0.8
281.13058	0.3
282.09958	0.3
283.11002	0.6
285.12491	0.4
287.14038	0.3
290.10547	1.2
291.08087	0.4
291.11377	7.8
292.12137	8.9
293.09500	0.3
293.12918	5.5
294.10190	0.4
294.13400	0.7
295.10770	0.7
296.11600	0.3
306.10031	0.4
309.12378	0.3
310.09705	0.4
311.10394	0.4
312.11166	0.5
313.11856	0.8
315.11469	0.4
316.12265	0.8
318.09940	1.5
319.10883	0.9
320.11462	0.3
324.11060	1.3
325.11880	1.2
335.10361	4.9
336.11127	4.6
337.11981	1.5
338.12042	0.4
343.12927	0.7
346.15320	0.5
358.15488	0.7
359.16281	0.4
360.17175	1.0
370.19333	0.5
372.17276	2.3
373.17807	0.8
374.18689	1.0
378.12177	0.4
379.16107	1.0
385.14209	0.3
386.15283	0.5
387.15506	0.3
388.16251	0.5
390.18259	0.7
398.14862	0.5
399.16061	0.8
400.16809	1.0
401.16891	0.5
402.18210	1.3
403.18799	0.4
404.16138	0.5
405.16846	0.4
406.17734	0.7
414.18192	5.3
415.19031	2.3
418.17746	3.5
419.17950	0.7
425.12289	0.3
432.19370	2.4
433.19659	0.9
436.18790	0.7
440.15897	1.1
447.17746	0.6
448.18655	0.6
453.22675	0.4
455.17664	0.4
458.17017	2.5
459.17856	2.8
460.18671	1.3
470.20990	0.5
476.18274	5.1
477.18713	3.3
478.19638	1.2
490.19815	1.8
495.23853	0.8
500.18359	0.5
508.20898	7.0
509.21381	1.5
514.19232	0.5
518.19269	0.4
532.20850	1.0
533.20685	0.3
537.24701	1.4
549.23395	1.6
550.21826	1.1
551.22546	0.7
555.26245	0.9
556.26575	0.4
563.22894	0.7
569.23798	0.3
581.24451	2.4
582.24426	0.6
583.25006	0.3
599.25195	9.8
600.25403	1.9
601.26709	1.0
613.26733	6.1
614.26752	0.9
631.27875	100.0
632.28198	22.7
643.27423	0.4
655.27441	0.9
673.29004	21.8
674.29333	5.4
695.29205	0.4
703.30090	0.6
733.31000	0.8
831.02740	0.3
857.31537	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	856.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	96.9
70.56863	0.3
70.58490	0.7
70.58890	0.6
71.01393	3.3
72.99315	0.5
73.02953	1.4
75.00877	1.0
83.01400	0.8
85.02959	2.0
87.00888	0.8
88.98820	0.3
89.02457	0.7
94.06633	0.3
95.01365	0.5
96.96047	1.4
99.00887	1.2
101.02473	1.6
107.03774	0.9
110.06160	2.1
111.00909	0.8
113.02465	2.5
116.05028	0.3
117.03477	0.7
119.05058	0.9
120.08204	6.4
121.02956	0.4
121.05360	0.6
122.06142	16.2
123.04572	0.7
123.06465	0.9
125.02519	0.7
129.01906	0.5
132.02222	0.5
133.02971	10.5
134.03735	1.2
134.06131	1.0
135.04535	5.8
136.07751	0.4
137.02490	0.7
142.06631	1.4
144.04575	1.7
145.02943	1.6
149.02437	0.8
149.06122	1.0
150.03204	1.1
151.04028	0.3
160.01656	0.8
160.04068	0.5
160.07693	0.3
161.02467	28.0
161.13499	0.4
162.03049	0.6
162.05637	0.6
163.03993	0.8
163.59306	0.3
164.04956	0.4
164.07224	0.4
165.01956	0.7
165.05589	0.9
172.03990	0.4
173.04607	0.3
174.05673	1.6
175.00323	0.4
175.04019	0.9
176.07106	0.4
177.02061	0.3
177.05611	1.4
179.03522	5.8
179.06960	0.3
180.04065	0.5
181.04993	0.3
186.05597	0.9
188.03560	0.6
188.07248	0.4
190.02728	0.7
193.05049	0.7
195.06679	0.7
200.07207	0.4
203.03659	0.4
203.05887	2.3
204.06689	2.6
205.05064	1.1
205.06883	0.3
209.10852	0.5
213.10341	0.4
215.11899	0.6
221.04546	1.6
223.08716	0.7
225.10306	0.4
225.14102	0.4
227.12126	0.3
236.09343	0.4
237.10320	1.9
238.10933	0.6
239.11845	0.9
241.13394	0.8
243.15135	0.4
246.07758	0.7
249.10278	0.5
249.13875	0.7
251.05592	0.7
251.08038	0.3
251.11900	6.2
251.94484	0.4
252.12369	0.8
253.09669	0.6
263.08191	1.0
263.11935	0.9
264.09033	1.7
264.12271	0.5
265.09723	1.4
265.13373	1.8
266.10352	0.6
267.07300	1.4
267.11368	0.5
269.13080	0.7
271.10779	0.5
275.08258	0.4
275.11905	0.4
276.08957	1.6
277.09796	7.8
277.12811	0.5
278.10468	2.8
279.11423	1.8
281.06570	1.2
281.09497	0.7
281.12939	0.5
283.10776	0.9
285.12482	0.3
287.14005	0.7
290.10565	1.5
291.11414	8.8
292.12149	7.1
293.09589	0.4
293.12875	5.1
294.10156	0.4
294.13321	0.7
295.10764	1.0
295.14096	0.3
296.11499	0.4
297.12366	0.7
310.09549	0.4
311.10364	0.7
313.11887	1.2
315.10986	0.4
316.12195	0.4
317.09155	0.4
317.12604	0.4
318.09982	1.6
319.10904	1.2
324.11053	1.2
325.11929	1.7
325.59781	0.3
326.12567	0.4
329.14178	0.3
335.10342	6.0
336.11020	4.5
337.07663	0.5
337.11835	1.8
343.12823	0.6
346.15765	0.5
358.15475	0.7
360.11124	0.4
360.17133	1.1
372.17352	2.9
373.17706	1.2
374.18619	0.8
384.13107	0.5
386.15012	1.2
387.15521	0.6
390.18332	0.7
398.15021	0.6
399.15646	0.4
400.16519	1.5
402.18137	1.4
403.18692	0.6
404.16211	0.4
405.88147	0.4
406.17514	0.9
414.18237	4.8
415.18912	2.5
418.17789	3.1
419.18256	0.6
420.19235	0.3
428.16144	0.3
430.17834	0.4
432.19238	2.2
433.20020	0.6
434.16238	0.4
436.18573	1.0
440.16092	0.7
441.17035	0.5
442.17325	0.4
447.18011	0.5
448.18683	0.6
456.19022	0.4
458.12234	0.3
458.17178	2.9
459.17917	3.0
460.18591	1.3
472.18921	0.7
476.18265	4.3
477.18918	3.3
478.19611	0.7
482.17374	0.3
487.12375	0.7
490.19675	1.1
495.23962	1.1
500.17914	0.6
508.20840	7.1
509.21213	1.6
514.19611	0.7
515.22449	0.9
518.19635	0.6
521.21844	0.4
532.20886	1.1
533.21844	0.5
537.24866	1.2
550.22003	2.2
551.22449	0.9
555.26044	1.2
563.23065	0.8
581.24127	2.7
582.24469	0.4
599.25201	9.6
600.25354	2.1
601.26392	1.1
613.26740	5.9
614.26825	1.1
631.27850	100.0
632.28198	23.6
632.36346	0.4
632.39197	0.4
635.42090	0.4
643.28662	0.6
655.27936	2.1
673.29016	25.4
674.29358	6.5
695.29419	9.4
703.29950	0.5
733.31110	1.0
856.35406	0.7
857.32294	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	38.2
69.03448	1.2
71.01389	22.1
71.70462	1.1
72.99305	3.4
73.02958	5.5
75.00866	0.8
80.96500	0.8
83.01398	3.5
85.02967	12.8
86.00084	1.0
87.00880	3.1
88.98806	2.0
89.02457	8.2
95.01409	2.6
97.02974	2.1
99.00864	2.2
101.02463	20.7
102.05604	1.0
103.04028	3.2
111.00905	1.0
113.02477	7.4
116.92850	0.8
119.03492	2.1
125.02420	1.0
132.23985	0.8
143.03506	2.0
145.03029	0.8
161.02455	2.2
161.04565	5.5
171.10294	1.8
179.05643	1.8
209.11807	1.8
211.13342	2.4
214.11295	0.8
225.11282	0.8
258.93918	0.8
633.39648	0.9
649.39630	2.9
795.45648	100.0
796.45917	26.0
817.50671	0.9
855.42432	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	855.515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64576	0.2
61.09420	0.2
61.98835	3.6
63.38540	0.2
68.00890	0.2
69.03455	3.2
69.62740	2.1
71.01389	8.3
71.05031	0.5
72.99313	0.7
73.02955	1.8
75.00878	0.3
76.82828	0.3
80.02685	0.5
81.03445	0.4
83.01392	1.0
83.05031	1.5
84.02169	0.5
85.02962	10.6
86.00092	0.3
86.03991	0.2
87.00884	1.5
88.98820	0.6
89.02463	4.9
91.04034	0.3
93.03479	0.3
95.01395	0.8
95.05033	0.7
96.96013	1.9
97.02969	5.0
97.06602	3.4
98.19872	0.5
99.00874	0.6
99.08132	0.3
101.02460	7.6
107.05103	0.5
109.06592	0.9
110.03736	0.3
111.08179	5.1
113.02463	3.9
115.04052	0.2
116.92895	0.3
119.03518	2.0
119.08659	0.6
121.03068	0.3
121.06599	0.3
121.10275	0.4
123.04555	0.5
123.08192	0.6
125.02412	0.6
125.09753	2.3
127.07692	0.5
127.11305	2.1
131.03604	0.3
133.05046	0.5
137.09738	4.3
139.11273	0.3
141.09209	0.3
142.02719	0.3
143.03561	0.7
145.05087	0.9
151.11316	0.5
153.09187	0.5
153.12872	0.6
155.10829	1.3
157.05000	0.3
161.04594	3.7
162.10431	0.3
163.11296	1.5
165.09196	0.3
165.12878	4.0
167.10829	0.4
167.14398	0.7
169.12384	2.4
171.10292	31.8
172.10609	1.2
175.11301	0.3
177.12843	1.2
179.05693	1.4
179.10782	0.5
179.14418	0.7
181.12383	2.0
183.13913	3.6
184.14322	0.3
185.11842	1.3
191.10744	0.3
191.14471	0.3
193.12383	1.7
193.16052	0.5
195.13916	0.4
197.11852	23.6
198.12300	1.2
199.13403	1.6
201.11299	1.6
203.10757	0.5
207.10255	0.4
209.11850	3.0
210.12032	0.3
211.13416	19.7
212.13696	1.1
213.11357	0.3
217.15919	0.3
221.11853	3.2
223.13364	0.7
227.12910	3.3
229.14452	11.5
230.14702	0.7
235.08243	8.5
236.08540	0.4
239.12923	2.6
245.19040	0.4
247.20708	2.7
248.21031	0.5
253.09294	39.0
254.09587	2.2
263.20071	1.1
265.18146	0.8
273.18716	1.7
291.19666	31.3
292.20047	3.3
294.10147	0.3
309.20728	97.7
310.21091	8.4
311.39883	0.3
327.21774	100.0
328.18228	0.5
328.22137	9.4
342.91937	0.3
381.68256	0.3
433.20621	0.5
437.84103	0.3
487.30704	0.7
527.28717	1.0
545.29669	6.8
546.29883	1.4
563.30829	9.2
564.31201	1.3
619.42255	5.1
620.42480	0.9
855.51410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62517	0.2
61.98832	3.6
69.03455	1.0
71.01388	30.4
72.01730	0.5
72.99317	1.9
73.02955	12.8
73.36280	0.2
75.00874	0.7
83.01395	5.3
84.02218	0.3
85.02961	20.1
86.00099	0.7
86.03297	0.4
87.00890	2.9
87.04530	0.7
88.58549	0.3
89.02451	3.6
95.01405	2.2
97.02966	1.3
97.99459	0.2
98.19798	0.4
99.00893	4.4
99.04509	0.2
99.92606	0.3
101.02460	19.8
102.02809	0.5
103.04021	1.9
111.00903	0.7
113.02468	12.6
114.02826	0.4
115.04034	1.0
116.92874	5.1
117.01978	0.6
117.92885	0.3
119.03562	0.5
125.02458	1.3
127.04018	0.3
129.02028	0.4
131.03525	1.0
143.03513	1.9
145.03032	0.3
145.05070	0.4
159.03046	1.7
160.03343	0.2
161.04575	5.2
163.06155	0.6
175.10361	0.2
195.49484	0.3
205.07185	0.8
209.26477	0.2
319.46353	0.2
417.65219	0.3
429.30243	0.3
471.34805	0.4
604.08429	0.3
633.40039	0.3
649.39709	4.1
650.40112	0.9
691.08936	0.2
741.88275	0.2
795.45624	100.0
796.45996	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	852.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98528	0.2
70.84087	0.3
70.84457	0.2
88.48229	0.1
97.31368	0.1
143.10191	0.1
171.58495	0.1
232.22829	0.1
355.79471	0.1
458.41882	0.1
557.66412	0.1
780.31329	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	854.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	77.4
69.03472	0.3
71.01392	6.1
71.71153	0.5
71.71513	0.2
72.99329	0.5
73.02951	1.7
75.00869	0.2
83.01409	0.9
85.02958	2.9
87.00890	0.7
88.98829	1.0
89.02438	1.3
89.03990	0.3
95.01393	0.5
96.96074	0.2
97.02953	0.3
99.00906	0.8
101.02461	3.2
105.03489	0.8
107.05065	0.4
111.00917	0.4
113.02480	2.1
117.03510	1.6
119.03517	0.3
123.04549	0.6
125.02522	0.5
131.03555	0.3
132.02188	1.6
133.02977	31.8
134.03400	1.2
135.04552	12.8
136.04857	0.5
137.02467	0.4
143.03566	0.3
161.02467	100.0
162.02802	5.0
163.04022	0.5
171.10443	0.2
177.05679	0.4
179.03525	6.9
209.11880	0.3
211.13383	0.3
221.04463	0.3
225.00679	0.3
231.90431	0.3
240.47189	0.2
282.53668	0.2
304.48190	0.2
616.27222	0.2
648.34509	0.3
791.38885	72.6
792.39172	19.6
794.45111	0.3
795.31110	0.5
795.45721	9.0
804.89703	0.3
854.41016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98832	100.0
62.47103	0.0
62.98545	0.2
63.47849	0.0
69.66698	0.4
69.67133	0.1
71.01387	0.2
75.00908	0.1
88.98833	0.2
89.87991	0.0
93.03483	0.1
103.57684	0.1
124.44228	0.1
171.06660	0.1
171.10258	0.1
172.06145	0.0
173.04622	0.2
209.11867	0.3
210.12285	0.1
225.11397	0.0
227.12953	0.1
397.13614	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	850.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98835	100.0
62.98536	0.2
70.23755	0.1
71.40578	0.1
77.52708	0.1
101.93266	0.1
107.72210	0.1
118.19930	0.1
125.07552	0.0
167.78247	0.1
170.57446	0.1
209.11885	0.2
295.71124	0.1
471.80759	0.1
483.11597	0.1
615.24426	0.1
746.84784	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	847.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98835	1.5
68.99834	0.4
71.01400	2.0
71.34837	0.9
72.99313	1.5
83.40696	0.3
85.02992	0.6
87.00887	0.4
89.02459	0.3
96.96029	0.6
99.00244	0.3
99.00900	1.1
99.92600	23.2
100.92628	1.4
100.93388	0.9
101.02420	0.3
103.00358	0.4
111.00871	0.5
113.02457	0.6
113.50687	0.3
114.93439	0.6
115.92097	27.5
116.92881	100.0
117.92889	4.9
127.00436	0.8
132.92366	0.5
141.93671	0.4
142.94464	1.0
148.86224	0.3
166.94406	0.4
169.93153	1.0
170.93871	1.5
184.95491	1.9
209.11880	0.8
211.13402	2.9
212.95187	0.7
213.92220	0.3
226.00812	0.3
241.01057	0.3
255.23274	3.9
256.93970	3.0
257.94476	0.4
273.94250	0.7
345.40314	0.3
363.57727	0.3
397.13788	0.8
423.24893	0.5
609.28558	0.3
717.33466	0.4
735.34491	0.6
767.37000	0.7
779.33398	0.5
797.34302	2.1
798.34198	0.4
803.08954	0.4
811.36023	1.4
815.36426	0.5
829.37244	1.3
847.38281	22.2
848.38538	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	845.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.8
60.99297	0.9
61.98835	24.8
67.68407	0.8
69.03452	1.4
71.01391	15.2
71.71515	1.1
72.99316	1.2
73.02947	1.6
76.78635	0.9
83.01383	1.6
83.05045	1.6
85.02953	5.1
87.00892	3.0
88.98807	4.9
89.02448	11.3
95.05031	2.0
97.02976	2.6
97.06602	13.3
99.00903	1.8
101.02461	10.4
109.06644	0.8
113.02455	5.9
119.03515	3.0
123.08177	7.7
125.02430	2.5
125.09745	65.3
126.10089	3.3
143.03532	0.9
143.10806	0.8
161.04535	1.9
171.10327	1.4
187.09790	32.8
188.10106	1.7
197.12007	0.8
207.10217	1.8
209.11781	2.0
211.13268	1.1
221.06709	1.2
277.21744	28.9
278.21964	2.2
380.62320	1.0
387.55942	0.8
397.13559	4.4
471.34866	12.6
482.09024	1.1
540.60425	0.9
567.23193	2.1
585.23920	2.2
767.41418	1.2
845.45758	100.0
846.46039	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	847.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.5
63.02404	0.5
65.00323	0.7
71.01389	1.1
72.99317	1.6
83.01391	0.6
85.02960	0.6
89.02460	0.8
95.01373	0.3
98.19865	0.8
101.02444	0.3
107.01385	1.7
109.02938	0.7
115.00398	0.3
119.03497	0.2
119.05031	1.4
120.77422	0.2
123.04538	0.3
124.01685	2.1
125.02480	1.3
133.02913	0.3
135.00879	0.4
135.04555	0.3
136.01677	1.4
137.02452	1.1
142.06648	1.8
147.04546	23.0
148.04872	1.7
150.03320	0.5
151.00400	7.3
152.01175	2.6
161.02473	1.1
163.00406	1.6
164.01157	3.3
165.01834	0.5
165.05594	20.9
166.05917	1.7
169.01454	1.2
175.02525	0.5
175.03920	0.3
177.01964	0.4
178.99892	10.8
179.03413	0.6
180.00220	0.5
184.17763	0.3
186.05634	0.5
187.04036	0.3
187.05777	0.3
190.99928	0.3
192.00739	0.4
193.01569	0.3
193.05014	0.2
199.03957	0.4
201.01971	0.3
203.03488	0.9
204.04449	0.3
204.06728	0.8
207.06645	12.9
208.07004	1.0
214.02733	4.2
215.03416	0.6
219.03015	0.3
219.41422	0.2
227.03476	0.7
230.03592	0.3
231.02859	0.3
232.03926	0.5
242.02203	3.4
243.02946	2.2
244.03336	0.3
246.07571	0.4
257.85440	0.3
259.02463	3.5
270.01715	4.5
271.02457	28.4
272.02805	2.7
287.01971	15.8
287.05206	0.6
288.02518	2.0
299.01987	3.2
300.02466	0.5
311.67490	0.3
315.01431	0.9
316.02246	82.3
317.02728	12.1
318.03400	0.6
338.48160	0.3
433.16891	0.4
573.99884	0.3
574.09106	0.3
595.13055	100.0
596.13434	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	845.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.3
61.98835	48.3
69.03468	2.2
71.00991	0.9
71.01389	15.8
71.62552	0.9
71.62872	0.7
72.99314	1.5
73.02955	2.4
75.00512	0.7
75.00866	4.1
78.95908	0.7
81.03452	0.7
82.95437	0.6
83.01393	1.6
83.05070	1.2
85.02959	4.3
87.00895	3.4
88.98811	2.5
89.02462	11.4
95.01435	1.1
95.04998	1.0
97.02958	2.1
97.06612	14.4
101.02462	10.7
109.06599	1.3
113.02472	4.5
119.03537	2.4
123.08179	6.4
125.02465	2.9
125.09747	96.3
126.10086	4.5
143.03523	0.9
143.10843	1.3
161.04608	1.8
169.08710	1.9
171.10275	4.3
179.05580	1.1
187.09787	64.3
188.10091	2.9
197.11925	0.7
204.00356	0.6
207.10248	1.6
209.11833	8.7
210.12221	0.7
211.09782	0.8
221.06648	4.3
225.11365	2.3
227.12866	1.0
235.08286	1.4
253.09349	2.8
277.21756	11.4
278.22107	1.4
289.18146	1.3
291.19574	1.0
307.19254	1.0
309.20682	2.1
332.59286	0.7
368.47977	0.7
397.13620	1.9
405.17712	0.7
471.35242	0.7
567.22974	2.4
585.24432	3.9
683.40698	0.9
782.51599	1.8
845.45776	100.0
846.46143	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.4
61.98832	100.0
63.99252	0.6
69.03456	1.1
71.00401	1.3
71.01388	20.5
72.99321	2.0
73.02950	9.6
75.00874	1.5
81.03483	0.8
83.01401	3.5
83.05034	0.4
85.02961	24.9
85.73724	0.4
86.00098	0.8
87.00890	4.7
87.04540	0.9
88.98807	0.7
89.02460	5.3
89.04003	0.8
95.01405	1.7
97.02972	1.8
99.00896	2.6
99.04543	1.9
101.01778	0.8
101.02454	14.5
102.02769	0.5
103.04045	1.6
105.03448	0.6
106.04226	0.5
109.02970	1.0
111.00890	1.0
112.98830	0.4
113.02458	7.2
115.04023	1.4
116.92863	0.4
117.03465	3.2
119.03523	0.9
119.05050	1.2
121.03001	0.4
123.04522	0.6
125.02448	2.4
127.04013	2.6
131.03523	1.7
131.05269	0.5
132.02199	17.8
133.03003	3.8
134.03760	53.3
135.04431	1.8
137.02444	1.5
139.04053	0.8
143.03528	2.6
143.11874	0.5
145.03000	0.7
145.05089	1.5
146.08232	0.5
149.06104	5.4
150.03232	1.0
151.03883	0.4
159.03024	1.0
160.01678	76.1
161.02380	5.6
161.04529	2.3
162.02884	0.5
163.04028	0.8
163.06245	0.5
171.10339	0.6
175.04019	63.4
176.04362	3.1
177.05592	1.0
178.02693	1.2
179.03488	2.3
193.05075	37.6
194.05400	2.1
205.07120	0.8
209.11841	0.8
211.13400	1.0
221.04546	0.7
231.08730	1.2
247.08286	1.4
291.10889	0.7
321.60687	0.4
327.21777	1.3
329.24710	0.5
466.97876	0.4
485.32846	1.4
493.31873	0.6
631.99213	0.5
639.37390	1.0
651.39563	1.4
669.40167	1.0
671.32239	0.9
785.43524	56.8
786.43988	14.3
845.45770	73.4
846.46143	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	845.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
60.99287	1.3
61.98832	32.7
70.75994	0.6
71.01385	4.6
72.99327	0.7
75.00887	1.1
77.74310	0.5
80.02683	1.1
81.03454	1.6
83.01389	1.3
83.05047	4.4
84.02187	0.6
85.02975	1.4
87.00899	1.6
88.00319	0.5
88.98818	5.5
89.02451	2.3
95.05035	0.7
97.02972	1.1
97.06610	2.1
98.19726	0.6
101.02441	3.5
109.06632	1.1
111.12962	0.5
113.02462	2.1
123.04532	1.2
125.02490	0.7
125.06070	0.7
125.09718	3.3
135.08208	0.9
137.09723	1.4
141.12863	0.6
145.05060	0.7
161.04547	1.0
161.09789	0.7
163.11325	6.6
164.11696	0.6
165.12897	2.3
169.01469	1.4
171.10281	1.6
179.05576	0.6
179.10779	0.7
181.12396	1.1
185.11859	3.0
191.10832	1.5
191.12930	0.5
191.14444	3.0
207.10297	1.4
209.11844	100.0
210.12158	6.8
211.13327	0.8
217.15912	0.7
225.11305	1.7
227.12903	12.8
235.08249	2.1
237.11363	1.4
245.19101	6.1
253.09309	9.2
258.81598	0.5
263.20087	1.6
271.17075	0.7
289.18100	27.4
290.18430	2.4
293.21240	0.6
307.19165	29.1
308.19516	2.1
309.20792	0.8
398.26233	0.6
445.20877	2.2
525.26953	1.6
543.27490	1.1
637.32526	1.9
676.24194	0.6
717.38428	1.1
735.39545	1.9
753.41443	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	845.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.9
60.99303	2.8
61.98835	54.1
69.03455	2.4
71.01389	24.1
71.71793	1.2
72.99313	2.4
73.02949	3.6
75.00858	0.9
81.03463	1.0
83.01393	2.3
83.05025	1.2
85.02963	4.8
87.00887	7.4
87.77394	0.7
88.98817	15.5
89.02458	16.9
93.03457	0.9
95.01392	2.0
95.05032	0.9
97.02965	2.5
99.00895	1.3
101.01858	1.1
101.02462	12.8
109.02943	0.6
109.06599	2.0
110.01546	0.7
111.00893	0.8
111.08177	1.2
113.02462	8.5
119.03497	2.9
125.02460	5.5
135.08211	1.7
137.09763	1.7
143.03535	1.6
156.58046	0.6
161.04597	2.1
171.10268	2.9
179.05659	4.6
209.11830	3.2
211.13373	1.3
221.06662	2.6
231.17555	1.1
235.08284	2.1
239.16455	1.8
241.18115	1.4
247.13368	1.1
250.04239	0.6
263.07764	0.9
265.18265	0.9
267.19510	0.9
275.16785	1.7
275.20172	0.8
293.21188	3.9
307.18832	0.7
315.26883	2.0
317.28354	1.2
325.25443	3.7
326.25751	1.0
333.28088	0.9
341.24863	1.9
343.26373	4.1
351.23184	1.2
359.25916	5.3
361.27405	2.3
369.24313	5.6
370.24249	0.7
377.27090	1.0
387.25443	12.9
388.25882	1.0
397.13602	7.2
405.26465	23.1
405.31653	1.5
406.26706	3.6
479.30066	1.4
757.40479	1.3
767.37823	0.9
785.39941	100.0
786.40240	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	845.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.9
60.01720	0.6
63.02393	0.3
71.71638	0.4
72.99312	4.4
93.03468	0.4
103.05587	0.3
107.01446	0.8
110.05099	0.3
119.05046	6.4
125.02408	0.3
129.01933	0.5
132.02234	0.5
142.06653	1.0
143.06917	0.4
145.03113	0.3
147.04543	100.0
148.04883	5.3
151.00404	2.0
161.02495	0.4
163.00456	0.3
164.01015	0.3
165.05589	85.5
165.35054	0.3
166.05933	4.9
183.04485	0.3
185.06013	0.3
186.05634	0.5
187.03996	0.3
199.04034	0.3
204.06761	0.7
207.06636	58.1
208.06969	4.5
211.04027	0.5
212.04765	0.4
227.03513	12.0
228.03868	0.9
229.05086	2.3
239.03578	0.5
246.07790	0.5
255.02980	25.7
256.03436	3.4
257.04477	1.3
283.02533	0.3
284.03259	46.3
285.03970	18.8
286.04514	1.8
327.05148	0.6
512.18005	0.3
593.15143	80.1
594.15527	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	845.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
61.98836	21.1
71.01391	6.7
71.71810	0.4
72.01726	0.3
72.99338	1.3
73.02954	1.2
75.00883	1.0
79.55267	0.2
80.05834	0.2
83.01398	0.9
85.02968	3.1
87.00878	1.4
88.98836	0.8
89.02465	3.1
89.03993	0.4
93.03471	0.4
95.01395	0.9
95.04985	0.3
97.02954	0.4
99.00890	1.5
99.04516	0.4
101.02461	4.0
105.03483	0.5
107.05032	0.7
108.02199	0.3
109.02979	0.5
111.00907	0.8
113.02465	3.3
115.01970	0.4
116.92907	1.0
117.03489	2.0
119.03532	0.9
119.05050	0.8
121.03027	0.7
123.04543	1.1
125.02507	0.8
129.01941	0.5
132.02184	2.8
133.02982	38.7
134.03648	1.9
135.04546	14.3
136.04893	0.9
137.02464	0.8
140.75735	0.2
145.02937	0.4
147.04587	0.4
148.05327	0.4
149.02522	0.6
149.06134	0.3
150.03275	0.5
151.04019	0.3
153.02011	0.3
160.01685	1.0
160.04042	0.2
161.02470	100.0
161.09793	0.9
162.02812	5.3
163.04039	0.6
163.07710	0.3
165.01936	0.4
165.05595	0.9
174.01721	0.3
175.02481	0.9
175.04048	0.8
177.01985	0.3
177.05602	0.3
179.03523	7.4
179.05217	0.4
179.07047	0.3
179.10812	1.1
180.04025	0.8
189.09283	0.3
193.05095	0.5
195.06737	0.3
205.05157	0.5
221.04558	0.7
249.06181	0.7
267.07510	0.4
337.94489	0.2
341.08981	0.3
359.28192	1.0
410.08060	0.3
521.33423	0.3
665.35852	0.5
683.38385	0.4
785.46326	0.4
845.42096	53.6
846.42438	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	844.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98833	100.0
62.98537	0.3
62.99271	0.1
63.99261	0.3
71.01389	0.5
72.99319	0.1
73.02974	0.1
73.86069	0.1
75.00878	0.1
85.02978	0.2
88.98837	0.1
89.02438	0.3
95.01412	0.1
98.19831	0.1
101.02470	0.3
102.02820	0.1
105.01962	0.2
106.36033	0.1
111.00921	0.1
113.02500	0.1
119.03558	0.1
119.05025	0.1
124.37685	0.1
131.03513	0.1
133.02951	0.1
134.03816	0.3
137.02545	0.1
160.01695	0.4
161.02431	0.2
161.04567	0.1
169.95297	0.1
175.04008	0.3
176.04407	0.1
181.12383	0.1
193.05121	0.1
209.11900	0.1
225.11369	0.1
227.12920	0.1
445.04587	0.1
485.32925	0.1
782.44086	0.1
783.45349	0.2
784.45221	1.0
785.46283	0.2
844.44855	0.4
845.45801	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	844.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98833	100.0
62.05872	0.1
62.98534	0.2
62.99263	0.1
66.91054	0.0
70.23296	0.0
71.01399	0.3
71.71607	0.1
72.99313	0.0
73.02962	0.2
85.02978	0.1
87.00920	0.1
88.98888	0.0
96.43485	0.0
99.00913	0.0
101.02483	0.1
113.02457	0.1
119.67383	0.0
140.24690	0.0
147.04462	0.0
151.37514	0.0
163.07701	0.1
209.11938	0.2
211.95947	0.0
309.20746	0.1
640.41809	0.1
783.49396	0.1
784.48236	0.4
844.46912	0.1
845.48315	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	843.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.8
60.99304	0.8
61.98836	45.8
71.01390	29.7
71.70512	1.4
72.99329	3.6
73.02956	6.5
75.00881	8.8
83.01417	3.6
85.02966	10.9
87.00873	3.2
88.98819	3.7
89.02457	20.0
95.01410	1.0
101.02467	12.2
103.04017	2.3
111.00874	0.8
113.02459	5.4
115.04019	1.1
119.03511	2.0
119.05008	0.9
125.02480	0.8
127.03979	0.8
131.03532	7.7
134.03743	1.8
139.63429	0.7
143.03520	1.8
145.02977	1.4
149.04567	1.5
160.01709	1.9
161.02460	1.6
163.06168	1.0
174.01755	0.9
175.03981	2.0
191.52328	0.7
193.05107	1.2
201.11316	0.7
205.07164	1.5
206.05147	0.7
209.11830	2.8
227.12914	0.7
278.72580	0.6
282.83167	0.8
385.27591	1.8
397.27460	0.9
417.30188	1.7
461.29120	1.2
475.34314	1.4
637.40033	5.4
638.40411	1.0
765.44623	1.5
783.45679	100.0
784.46051	24.1
836.05035	0.7
843.44470	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	843.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	82.2
60.01711	1.5
60.99309	1.5
61.98833	61.1
63.99286	1.0
69.03488	0.7
71.01390	27.0
71.70795	0.8
71.71172	0.8
72.99305	5.5
73.02958	8.1
75.00868	1.7
83.01398	5.7
83.05025	0.8
84.02145	0.8
85.02965	19.3
86.00074	1.3
87.00885	2.7
88.98812	6.5
89.02444	9.4
95.01408	1.2
95.05045	1.5
97.02962	1.5
99.00889	2.2
99.04551	0.8
101.02464	25.0
101.06110	0.9
103.00410	1.3
103.04015	2.2
111.00885	1.7
111.04546	1.7
113.02484	4.8
113.06097	3.2
114.37503	0.8
116.92891	2.0
117.03557	0.8
119.03553	1.7
119.05065	2.2
120.49057	0.7
122.06104	0.8
125.02481	1.6
127.04029	0.7
129.02016	0.9
129.05566	1.0
131.03526	20.0
133.02972	1.8
134.03757	1.6
135.04552	2.2
137.02492	1.3
143.03619	0.9
145.03008	2.0
149.02460	0.8
149.06100	0.7
150.03201	0.8
152.69572	0.8
160.01677	1.8
161.02473	5.0
161.04509	1.7
162.02901	0.7
163.04019	0.8
165.05559	2.0
167.03455	1.0
174.01741	1.2
175.04042	1.0
177.01958	1.1
177.05586	1.0
179.03508	1.7
193.05096	1.7
204.06664	0.9
205.05051	1.1
300.02618	0.8
326.50674	0.7
343.26367	2.2
355.26239	1.1
369.28094	1.3
373.27222	1.0
381.27780	1.1
387.29047	2.7
399.28732	1.6
501.32343	1.1
505.34882	1.0
587.61584	0.8
617.29095	0.8
618.29681	0.8
619.38422	1.2
637.39545	4.0
641.35126	2.1
663.37323	1.0
665.38867	6.5
666.39746	1.4
677.38739	0.9
753.44812	2.5
765.44623	57.0
766.45135	13.6
783.45654	100.0
784.46033	25.8
805.33344	1.5
806.34637	1.1
843.42224	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	843.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	41.9
60.01715	0.5
61.98828	0.3
69.03458	0.3
71.01386	1.6
71.71716	0.4
72.99313	4.8
73.02955	0.7
73.03351	0.2
78.75520	0.2
78.76052	0.2
79.41096	0.2
81.01999	0.3
83.01413	0.7
83.05045	0.4
85.02965	0.5
87.00876	0.3
89.02457	0.7
94.02991	0.4
100.72636	0.2
101.02477	1.1
101.03959	0.3
113.02480	1.0
113.67037	0.2
116.05080	0.5
118.91545	0.2
119.05042	5.8
119.05907	0.3
120.05389	0.4
123.04533	0.3
125.02476	0.4
133.02966	0.4
135.04572	0.8
136.07715	0.4
138.05635	0.3
142.06648	7.9
143.06985	1.7
147.04541	100.0
148.04872	5.3
158.06123	0.9
159.06511	0.2
161.02466	1.4
161.04607	0.4
161.09837	0.3
161.13474	0.2
163.04059	0.2
165.05586	86.9
166.05928	5.2
175.02498	0.3
175.03958	0.3
179.03473	0.6
180.03926	0.3
186.05611	2.9
187.03545	0.2
187.05945	0.7
187.11305	0.5
193.05083	0.3
204.06670	5.3
205.06992	1.3
205.12387	0.3
207.06633	70.0
208.06979	5.5
213.58098	0.3
223.13419	2.4
223.15378	0.4
246.07695	3.4
246.35246	0.2
247.07909	1.2
249.11072	0.2
265.09833	0.3
267.12363	2.5
273.11151	0.3
291.11490	0.3
307.10840	0.5
308.11511	0.6
309.13342	0.5
313.11447	0.5
319.13113	0.3
339.14487	0.9
362.08282	0.2
369.15643	2.5
370.15829	0.4
373.57813	0.3
421.74835	0.2
429.12335	0.4
429.17621	4.9
430.17639	1.1
448.18842	0.3
492.17880	0.7
524.20300	3.6
525.20392	0.6
663.26929	0.7
681.26251	0.3
793.29480	0.4
843.32568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
61.98834	0.5
68.72153	0.3
71.01398	0.7
71.71744	0.6
72.99293	2.5
75.00894	0.4
75.22520	0.3
77.76165	0.3
85.02936	0.4
89.02474	0.5
101.02435	0.9
103.76360	0.4
103.92603	0.4
116.05080	5.0
128.05083	1.3
130.06645	2.0
133.02980	1.1
135.04550	0.5
142.06647	100.0
143.06990	4.9
144.04553	0.7
158.06139	11.4
159.06447	0.7
160.01689	0.4
161.02481	3.6
172.04047	0.5
175.02548	0.4
175.03993	0.6
179.03529	0.4
186.05626	43.2
187.05963	2.7
204.06670	68.8
205.06987	4.5
246.07707	43.3
247.08058	3.1
295.82407	0.4
300.02679	1.1
301.02835	0.5
465.42584	0.4
551.17328	2.3
579.13251	0.5
680.26355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
61.98837	1.4
69.51450	1.4
69.51856	0.4
71.01383	0.9
72.99310	2.3
73.02944	0.4
75.00883	0.2
80.14821	0.2
83.01393	0.2
85.02956	0.5
89.02439	0.4
93.76070	0.2
101.02473	0.6
107.04989	0.2
113.02465	0.6
116.05082	4.0
117.03477	0.7
118.89941	0.2
119.56834	0.2
123.04524	0.4
128.05055	1.1
130.06650	1.5
132.02213	0.6
132.04567	0.5
133.02975	10.8
134.03780	0.2
135.04556	3.7
137.02481	0.3
140.05035	0.3
142.06641	100.0
143.06992	5.0
144.04593	0.4
152.82336	0.2
157.05312	0.3
158.06128	12.2
159.06494	0.5
161.02460	42.6
162.02811	1.8
163.03957	0.3
172.04042	0.3
175.04050	0.2
177.05602	0.2
179.03546	2.3
185.11850	0.2
186.05620	41.1
187.06001	2.3
193.05011	0.2
203.12889	0.7
204.06668	64.3
205.06990	3.9
225.57549	0.2
245.13747	0.3
246.07707	46.5
247.08084	3.3
281.06885	0.2
322.14182	0.2
374.14944	0.2
384.51843	0.2
548.25616	0.2
551.24915	48.7
552.25232	7.8
552.33838	0.4
736.84009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.2
59.87254	0.2
61.98835	0.8
71.01384	0.9
71.29126	0.6
72.99312	2.8
75.00860	0.2
75.43618	0.2
76.83026	0.2
83.01399	0.2
85.02962	0.4
87.00897	0.2
89.02451	0.2
101.02460	0.5
102.81586	0.2
105.03574	0.2
113.02472	0.4
116.05078	4.2
117.03460	0.2
119.05042	0.5
125.02467	0.3
128.05099	1.3
130.06638	1.7
132.02150	0.2
132.04573	0.5
133.02966	1.7
133.58479	0.2
134.03725	0.6
135.04602	0.9
137.02446	0.2
140.05043	0.2
142.06642	100.0
143.06998	5.6
144.04578	0.7
145.02988	0.5
146.06270	0.2
147.04538	0.7
149.06084	0.2
150.03214	0.3
151.00391	0.3
157.05301	0.2
158.06134	11.2
159.06459	0.8
160.01736	1.0
161.02467	5.0
161.04523	0.2
162.03072	0.6
163.04001	0.2
165.05605	0.6
172.04092	0.5
175.02737	0.2
175.03998	1.2
176.04706	0.3
179.03514	0.6
186.05620	44.0
187.05981	2.7
193.05069	0.8
194.29906	0.2
204.06665	67.9
205.05275	0.2
205.06982	4.6
207.06590	0.3
235.06152	0.7
243.02933	0.3
246.07703	44.0
247.08058	3.9
255.02995	0.3
256.03195	0.3
271.02414	0.8
272.02878	0.4
273.03110	0.2
284.83347	0.2
295.08319	0.4
300.02734	1.5
301.03149	1.5
302.03357	0.9
303.04037	0.2
377.53137	0.2
503.15775	0.2
505.09598	0.8
506.10181	1.6
507.10336	1.9
533.16809	1.2
534.17133	0.2
551.17621	4.4
552.18054	0.7
662.24976	0.2
680.26605	0.6
685.28815	0.2
704.26959	0.3
747.56940	0.2
782.31860	0.4
784.90173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.6
60.01690	0.4
60.92472	0.2
61.98834	20.3
66.62830	0.3
69.03450	0.8
70.28062	1.0
71.01387	31.7
72.01724	0.6
72.99309	2.1
73.02954	11.9
75.00862	0.8
81.03468	0.5
83.01397	5.9
84.02177	0.4
85.02960	18.3
86.00086	1.0
86.03305	0.4
87.00883	2.7
87.04517	0.8
88.98806	0.6
89.02456	3.5
92.64729	0.3
95.01419	2.6
97.02953	0.9
99.00896	4.4
101.02458	20.6
101.27409	0.2
101.50688	0.3
103.04038	1.7
109.02940	0.3
111.00918	0.6
113.02470	12.0
114.02766	0.5
114.05573	0.3
115.04028	0.6
116.92831	0.6
119.03522	0.8
125.02457	1.1
129.01894	0.6
131.03490	1.0
137.02438	0.3
143.03551	1.5
145.05031	0.6
159.02980	1.9
161.02432	0.5
161.04572	5.1
163.06125	0.8
171.10289	0.4
175.04015	0.4
175.12134	0.3
179.05505	0.3
205.07181	0.6
209.11807	0.8
211.13409	0.7
240.93686	0.3
471.34476	0.3
473.36569	1.7
474.36716	0.5
628.02032	0.3
635.41821	4.5
636.42804	0.6
653.72406	0.3
781.47723	100.0
782.48059	23.1
841.40399	0.3
841.49371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	42.6
60.01733	0.4
61.98833	55.7
62.34856	0.2
66.67596	0.3
69.03471	0.4
71.01389	27.3
72.01725	0.6
72.99313	3.9
73.02949	5.9
73.03338	0.4
75.00883	1.0
83.01385	2.6
83.05022	0.3
85.02961	13.2
86.00105	0.4
87.00883	2.9
87.04539	0.4
88.98814	1.1
89.02455	18.3
90.02805	0.3
93.03489	0.3
95.01421	0.5
99.00900	0.9
99.04494	0.4
101.02460	13.4
102.02757	0.5
103.00363	1.4
103.04019	3.6
109.91464	0.2
111.00887	0.3
113.02454	4.4
115.04042	0.7
116.92891	1.1
117.03497	0.5
119.03542	1.9
119.05056	0.6
119.65630	0.2
125.02463	0.7
127.04041	0.7
131.03526	11.0
132.02191	0.5
132.03835	0.4
133.02904	0.4
134.03773	1.5
143.03569	1.4
145.05080	0.8
149.04605	1.4
157.48528	0.2
160.01689	1.9
161.02420	0.8
161.04588	0.4
163.06125	1.1
165.05710	0.3
175.04051	1.5
180.82120	0.3
193.05075	1.4
205.07198	0.7
337.07220	0.3
471.31409	1.0
483.31293	0.5
635.38080	5.6
636.38501	1.3
780.43524	0.5
781.44067	100.0
782.44391	27.6
795.45502	1.7
796.45691	0.6
841.43414	2.4
842.42627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	36.0
61.98833	28.8
71.01387	28.4
71.71123	0.7
72.99318	3.7
73.02959	4.7
75.00869	0.9
83.01390	3.7
85.02959	9.6
85.03442	0.6
86.00115	0.6
87.00896	1.8
88.98844	1.2
89.02452	12.5
95.01418	2.2
99.00875	1.3
99.92609	0.9
101.02456	14.8
111.00896	0.8
113.02464	7.0
113.03230	0.6
115.00358	0.5
116.82092	0.5
116.92879	13.4
117.01962	1.6
117.03488	0.6
117.92863	0.8
119.03522	2.9
119.05042	1.4
123.04491	0.5
125.02495	1.2
129.01987	0.6
131.03497	0.5
132.02165	0.7
133.02995	1.7
134.03741	2.2
134.04735	1.1
135.04532	1.2
137.02480	0.8
145.03003	2.0
149.02495	0.8
150.03171	0.7
160.01688	2.4
161.02469	4.1
161.04568	1.3
163.04054	0.8
165.05634	0.6
175.02763	0.6
175.04004	2.9
179.03522	1.5
193.05113	1.4
204.06703	1.2
205.05261	0.5
209.11908	1.7
211.77869	0.6
241.05342	0.6
280.62271	0.5
300.02792	0.8
319.55258	0.5
329.01132	0.5
337.07080	0.7
473.32581	1.2
503.30087	2.4
557.06567	0.5
633.36841	1.0
635.38367	4.2
636.38458	0.6
651.54150	0.5
679.37292	11.9
680.37610	2.6
747.33215	0.5
781.44403	2.9
797.36200	1.1
841.42792	100.0
842.43048	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	841.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
61.98833	16.1
69.69023	3.5
71.01389	7.2
72.99335	0.5
73.02941	2.2
75.00880	0.5
77.03947	0.4
80.96536	0.4
82.14127	0.4
83.01395	1.5
85.02967	4.1
86.00150	0.6
87.00861	0.6
88.98830	1.6
89.02454	1.8
95.01388	0.7
99.00887	0.7
101.02456	4.7
103.68922	0.4
107.49614	0.5
109.02945	0.4
111.00869	0.5
113.02469	2.8
115.01955	0.4
116.92892	1.8
117.03490	0.9
117.92901	0.6
118.92715	0.6
119.03499	0.8
121.03010	0.4
125.02523	0.5
132.02197	3.0
133.02977	42.5
134.03363	1.3
135.04544	5.1
137.02457	0.4
142.06651	0.7
160.01691	1.3
161.02466	100.0
162.02820	5.0
163.07678	1.1
175.04039	0.9
179.03519	2.2
179.05540	0.6
211.13390	0.5
225.57838	0.5
296.82520	0.4
296.85818	0.4
458.97937	0.5
473.32468	2.6
635.38147	5.5
636.38770	1.5
679.37195	48.7
680.37543	10.5
781.47729	2.6
799.48792	0.6
805.40161	0.8
815.42474	0.5
841.40515	67.4
842.40820	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.8
59.21920	0.7
61.98836	2.5
71.01393	4.9
71.43255	1.3
72.99311	2.1
73.02945	2.7
82.03007	2.0
83.01405	1.9
85.02961	2.8
89.02444	0.9
90.55477	0.6
94.03001	14.2
94.06715	0.6
96.04567	0.8
99.00915	1.9
101.02456	7.1
107.01440	0.8
108.04593	3.3
110.06126	3.8
113.02482	2.1
116.05077	4.9
120.08210	3.9
121.02925	0.9
122.06137	5.7
128.05054	1.2
130.06682	1.8
136.04083	1.0
138.05629	6.1
142.06647	100.0
143.06984	1.0
144.04570	4.6
146.06177	2.2
147.04567	1.5
148.07625	0.7
150.05576	1.6
151.00412	3.1
152.00676	1.0
158.06129	11.4
160.01782	0.7
160.04175	0.9
161.02454	2.3
161.04625	1.4
162.05644	1.9
164.07246	1.1
165.05608	1.3
172.04146	0.8
174.05605	1.4
175.04066	1.4
178.99936	1.5
186.05620	41.3
188.03540	1.8
189.10324	1.2
190.05107	0.6
193.05347	1.0
193.07178	5.2
196.49365	0.6
201.10341	1.8
203.05878	8.2
204.06670	64.6
205.06949	1.2
209.10854	1.1
211.03856	0.8
213.10359	1.0
223.08728	1.2
227.03482	0.9
236.09575	1.7
237.10309	2.2
239.11911	1.1
241.09703	1.0
243.03137	1.9
243.11429	2.0
244.03368	1.2
246.07712	43.3
248.09563	0.8
249.10306	2.0
250.11031	1.1
251.08104	1.0
251.11856	5.6
252.12471	0.9
255.02995	5.8
256.03308	2.6
261.10233	1.1
262.11209	1.7
263.08316	2.1
263.11981	3.5
264.09055	2.8
264.12259	1.1
265.09937	2.1
265.13373	1.5
267.11380	1.3
268.08545	0.9
271.02472	13.2
272.02850	7.5
275.08252	3.9
275.11084	0.6
276.08951	3.9
277.09808	16.2
278.10477	5.9
279.11407	2.3
281.09399	1.0
285.12442	1.6
289.09851	0.9
290.10651	4.9
291.11420	13.3
292.12143	7.6
293.12918	4.4
295.10919	1.2
300.02783	25.7
301.03247	21.2
302.03729	5.1
310.09579	1.6
313.12137	1.0
317.09177	1.7
318.10086	12.5
319.10455	4.1
324.11282	1.7
325.11899	2.8
330.12665	1.0
332.14230	1.2
335.10391	2.7
336.11188	4.4
337.11783	1.5
343.13034	3.8
344.13800	0.9
346.15775	2.6
347.16260	0.9
348.17615	0.9
350.09076	1.1
358.15686	2.1
360.17307	1.0
370.15848	1.2
372.13318	1.1
372.17505	1.2
373.14105	1.4
374.14868	3.3
374.19147	0.8
382.11676	1.4
384.13519	1.0
386.15070	1.8
388.16653	1.9
389.17212	1.1
398.15231	1.6
399.15875	0.8
400.16821	3.3
406.17648	1.1
412.16724	0.8
414.18600	4.8
415.19266	0.8
418.17780	2.4
428.16275	1.8
429.16840	1.1
430.17874	0.7
437.19376	2.3
440.15964	2.0
441.16843	1.9
458.17270	3.5
459.18002	2.5
460.19040	1.2
461.19540	0.9
472.18622	1.1
476.18094	0.9
479.20425	1.3
490.19946	8.3
491.20480	1.5
505.09842	26.6
506.10242	34.3
507.10330	4.7
512.18237	1.8
525.21490	1.2
533.16473	0.9
537.21381	1.8
551.17627	2.2
555.22736	5.2
556.22803	0.9
567.22235	1.0
579.22736	2.2
587.25104	3.4
594.25012	1.8
597.23755	4.5
612.26245	2.4
615.24982	2.3
629.26459	1.9
634.24664	1.5
652.25244	3.4
665.27448	1.0
666.27161	2.5
679.27136	1.4
684.28027	11.6
685.28113	2.0
700.94727	0.9
707.29498	2.4
708.30280	1.4
731.29443	1.5
749.30798	4.7
750.31909	2.2
751.32001	3.7
752.32837	1.1
763.32227	12.8
764.33038	2.4
773.30750	1.5
781.33307	60.0
782.33545	15.2
791.31775	2.1
793.32922	1.8
805.33087	6.4
806.33380	1.5
809.33429	0.8
823.34235	15.4
824.34753	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	840.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.98828	1.0
63.02394	0.3
65.00014	0.2
65.00321	0.9
69.95608	0.7
69.96013	0.5
72.57060	0.2
72.99316	0.4
83.01398	0.7
91.01913	0.2
95.69196	0.2
106.24986	0.2
107.01411	1.8
107.33988	0.2
108.02200	0.9
109.02977	1.0
115.00424	0.2
116.05097	0.4
121.02994	1.3
124.01640	0.3
125.02444	0.3
128.05098	0.2
135.00880	0.4
137.02406	0.3
142.06645	9.3
143.06998	0.6
147.00922	0.2
147.04527	0.4
148.01711	1.0
149.02374	0.3
149.41347	0.2
150.99190	0.4
151.00397	7.6
152.00830	0.2
158.06165	0.9
159.04498	0.3
161.02492	0.7
163.00391	1.7
164.01152	0.4
165.01917	0.3
165.05603	0.3
169.01436	0.6
174.03139	0.2
175.04018	0.2
176.19194	0.2
178.99861	3.7
183.04515	0.3
186.05643	3.5
187.04039	0.4
187.05832	0.3
190.99878	0.3
193.01395	0.2
199.04115	0.2
204.06679	7.0
205.07030	0.4
211.03978	0.7
216.04324	0.5
217.56401	0.2
226.02728	0.8
227.03522	1.7
229.05042	0.5
229.09799	0.2
236.06741	0.2
239.03485	0.2
243.02991	6.1
244.03551	0.7
245.04552	1.1
246.07692	4.1
247.07968	0.4
254.02171	1.2
255.02974	18.4
256.03375	1.8
264.09003	0.2
271.02469	37.0
272.02942	3.7
273.04013	0.7
283.02585	0.9
284.02386	0.2
287.58392	0.2
291.11191	0.2
299.02005	0.7
300.02762	75.6
301.03467	31.8
302.03897	1.8
311.10330	0.3
319.13312	0.3
370.87491	0.2
457.22983	0.2
463.09036	1.6
489.15536	0.2
505.09879	100.0
506.10202	14.1
549.17322	0.3
566.76080	0.2
632.24664	0.3
657.59937	0.2
664.27777	0.2
781.34119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98523	0.2
69.75380	0.1
71.40620	0.1
112.18653	0.0
276.83661	0.0
497.32977	0.0
775.84528	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98837	7.4
62.59241	0.3
69.03463	1.1
71.01388	4.5
71.72282	0.6
72.99314	0.5
73.02959	0.8
78.91887	0.7
80.91687	1.3
83.01395	0.4
83.05040	0.5
85.02957	1.0
87.00874	0.8
89.02438	2.8
93.07104	0.4
94.98102	1.5
95.01413	0.4
97.02972	1.1
97.06606	0.9
101.02457	4.5
103.50245	0.3
106.68446	0.3
109.06587	1.1
111.08172	12.0
113.02484	2.0
119.03505	1.1
123.08211	0.4
125.09768	0.6
127.07669	1.2
136.32881	0.4
139.11240	0.4
143.03557	0.5
145.05145	0.5
151.11276	0.7
153.12859	1.5
161.04561	2.2
163.11346	0.4
165.12865	1.3
167.10793	0.5
169.12378	5.0
171.10278	0.7
179.05730	0.5
181.12376	1.5
183.13902	1.2
193.12378	0.6
197.11842	62.0
198.12219	3.9
199.13380	3.4
207.13977	0.4
209.11813	0.9
211.13425	10.5
212.13928	0.4
213.14729	0.4
227.12944	2.0
235.08269	2.2
247.16985	0.5
247.20607	1.2
253.09276	25.0
254.09616	1.1
263.20172	4.5
265.18051	1.1
273.18671	1.5
277.21500	0.6
291.19644	25.1
292.19977	1.9
309.20712	100.0
310.21045	9.0
310.24454	0.7
433.20746	0.9
527.28693	0.6
545.29767	3.0
601.41357	1.8
622.69623	0.4
657.35120	0.4
837.49591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
61.98833	5.3
69.03452	1.7
71.01388	4.1
71.05072	0.3
71.70923	0.4
72.99349	0.4
73.02956	0.7
74.29749	0.2
78.91901	0.3
81.03493	0.3
83.01387	0.5
83.05045	0.8
85.02969	0.9
87.00901	0.9
89.02458	2.9
91.04076	0.2
93.03495	0.2
93.07108	0.3
95.01421	0.5
95.05012	0.5
96.96015	0.5
97.02966	4.2
97.06622	0.7
99.00915	0.4
101.01846	0.4
101.02454	3.5
109.06628	0.8
111.00872	0.2
111.08175	7.2
113.02475	2.5
119.03528	1.0
119.08681	0.4
123.04496	0.4
123.08192	0.3
125.06165	0.3
125.09746	1.1
127.07680	0.6
127.11395	0.3
130.61241	0.2
137.09721	1.3
138.10005	0.3
139.11302	0.4
143.03548	0.4
145.05164	0.3
151.11325	0.6
153.09219	0.3
153.12901	0.9
161.04572	2.1
161.09814	0.2
161.66209	0.3
162.10420	0.3
163.11339	1.5
165.09215	0.5
165.12878	3.6
167.10812	0.3
169.12340	2.6
171.10294	3.5
177.12939	0.4
178.34915	0.2
179.05664	0.6
179.10799	0.5
179.14458	0.7
181.12402	1.7
183.13942	1.2
185.11958	0.4
193.12337	1.0
193.15921	0.6
197.11853	36.6
198.12177	2.0
199.13412	2.2
207.10229	0.5
209.11841	1.5
210.12247	0.3
211.13417	7.1
212.13715	0.3
217.16026	0.2
223.13376	0.6
225.11313	0.4
227.12903	3.3
228.13203	0.3
235.08205	3.3
239.12994	0.3
247.20717	2.7
249.15015	0.5
251.16508	0.3
253.09286	17.8
254.09595	0.7
263.20142	1.7
265.18112	0.8
273.18588	1.7
289.17902	0.3
291.19662	40.9
292.20056	3.9
293.21237	0.3
309.20724	100.0
310.21069	9.6
348.54547	0.2
433.20731	0.5
471.34769	0.4
527.28583	0.9
545.29590	3.3
546.29688	0.3
601.41119	2.4
602.41827	0.5
837.47241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
59.01646	0.1
61.98834	100.0
62.98539	0.2
63.99262	0.1
66.06746	0.1
71.01393	0.5
73.02961	0.1
73.95364	0.0
79.95768	0.1
80.96522	0.1
83.73044	0.1
85.02973	0.1
87.00923	0.1
89.02467	0.1
96.96071	0.1
101.02485	0.2
102.82246	0.1
110.03147	0.0
113.02477	0.1
119.04205	0.1
119.05002	0.1
149.02475	0.3
164.04840	0.2
164.32338	0.0
165.05209	0.1
175.00383	0.3
176.00797	0.1
190.02762	0.7
191.03148	0.2
205.05078	0.6
206.05516	0.2
207.10329	0.1
209.11952	0.1
211.13460	0.1
223.06198	0.2
225.11403	0.1
229.07497	0.1
233.20366	0.1
534.81165	0.1
669.30536	0.1
777.45123	0.1
800.49823	0.1
810.35797	0.1
836.41754	1.0
837.41443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.5
59.01382	8.9
60.01723	0.2
60.26357	0.1
61.98833	4.2
67.01897	0.1
68.99825	0.2
69.03455	0.6
69.77209	0.8
71.01387	9.3
71.05017	0.3
72.99312	0.9
73.02952	1.5
75.00874	0.3
80.02688	1.2
81.03459	1.8
82.69434	0.1
83.01396	1.1
83.05035	5.6
84.02177	1.0
85.02959	2.7
87.00885	2.1
88.98821	0.2
89.02456	6.5
90.02763	0.2
91.43832	0.1
93.03474	0.4
93.15179	0.1
95.01398	0.9
95.05045	0.8
95.29413	0.1
96.96034	0.3
97.02973	1.4
97.06586	0.2
99.00897	0.5
99.04530	0.3
101.02457	6.4
102.02815	0.2
108.04549	0.2
109.02974	0.4
109.06583	0.4
111.00873	0.3
111.04567	0.3
113.02473	3.6
119.03508	2.0
119.05027	0.4
121.02965	0.2
123.00896	0.1
123.04536	0.2
124.93140	0.1
125.02464	3.2
125.06083	0.3
125.09715	0.3
128.03525	0.2
129.01935	0.2
131.03523	0.4
131.77310	0.1
133.02959	0.3
134.03746	0.2
135.04565	0.2
135.08185	0.7
137.02429	0.3
137.75937	0.1
138.05681	0.1
138.95340	0.3
139.03998	0.2
141.01970	0.2
143.03529	1.3
145.02986	0.1
146.04648	0.3
147.11845	0.3
149.02530	0.3
149.04625	0.2
161.02573	0.6
161.04593	1.8
163.04039	0.2
163.11308	4.0
164.11665	0.3
165.05586	0.3
165.12863	2.6
166.13080	0.2
167.03487	0.4
169.12411	0.2
171.10281	0.9
175.02460	0.2
175.03940	0.2
179.03979	0.2
179.05638	2.5
181.05057	0.2
181.12350	0.7
185.11873	0.2
188.60048	0.1
191.03416	0.1
191.10806	1.1
195.06853	0.1
199.13417	0.7
204.06770	0.1
209.11842	100.0
210.12163	7.0
211.13371	0.4
217.07159	0.3
221.06651	0.7
221.11836	0.3
223.13364	0.3
227.12895	15.7
228.13240	0.9
229.14534	0.2
233.11751	0.2
235.08220	2.3
236.08638	0.2
238.88483	0.1
247.13387	0.5
251.08098	0.1
251.12952	0.6
253.09303	0.6
257.12903	0.1
259.08298	0.1
265.09952	0.1
265.14438	0.3
287.07727	0.9
305.08844	1.0
307.70996	0.1
321.08624	0.2
323.09747	0.6
339.09845	0.2
379.12531	2.7
380.12640	0.2
397.13538	19.5
398.13885	1.7
401.23019	0.2
415.14597	4.9
416.14886	0.5
419.24200	0.2
589.24817	0.6
595.25885	0.2
607.26013	1.3
608.26599	0.3
641.22528	0.1
791.37872	0.2
799.38013	0.7
800.37555	0.2
804.28113	0.2
817.38849	0.3
835.43335	0.7
836.40936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98834	100.0
62.98542	0.2
67.94196	0.1
68.15459	0.1
71.01389	2.7
71.70509	0.1
71.70937	0.1
73.02959	0.1
75.00907	0.1
78.72689	0.1
78.95948	0.1
79.95754	0.1
80.96551	0.1
81.03484	0.1
83.01407	0.2
83.05067	0.1
85.02969	0.3
87.00916	0.2
87.56833	0.1
88.98849	0.1
89.02460	0.7
95.01405	0.1
96.96023	0.1
97.02997	0.2
99.00875	0.2
101.02461	0.6
109.06622	0.3
111.08225	0.1
113.02481	0.3
113.16489	0.1
119.03519	0.2
125.02497	0.3
143.03532	0.1
161.04593	0.1
163.11324	0.3
171.10278	0.5
179.05719	0.1
183.13922	0.2
197.11906	0.1
199.13458	0.3
201.11378	0.2
207.10280	1.0
209.11855	1.2
210.12164	0.1
211.13428	2.1
225.11342	0.7
227.12918	0.8
235.08252	0.2
243.12440	0.1
379.12439	0.1
397.13507	0.9
401.23428	0.1
415.14606	0.3
419.24606	0.2
623.25409	0.2
799.37891	0.3
817.38788	0.6
834.37531	0.1
834.52002	0.1
835.39551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
61.98831	100.0
62.05902	0.1
62.98530	0.3
62.99261	0.1
63.99268	0.1
65.16396	0.1
65.52518	0.1
71.01404	0.1
71.05195	0.1
71.05524	0.1
78.91898	0.1
80.96518	0.1
180.10364	0.1
211.13478	0.2
212.13751	0.1
213.08734	0.1
213.52451	0.1
253.09363	0.1
291.19684	0.1
307.19574	0.1
309.20740	0.1
321.47485	0.1
500.20630	0.1
517.88904	0.1
835.41846	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.7
59.01379	14.6
61.98831	100.0
62.98540	0.5
63.99253	1.0
69.03453	1.1
69.48239	3.0
71.01385	16.9
72.99310	1.2
73.02954	2.3
75.00871	0.4
80.96522	0.4
81.03455	0.6
83.01385	1.9
83.05038	0.8
85.02962	3.3
86.00128	0.4
87.00889	2.5
89.02452	9.6
94.24422	0.5
95.01382	0.8
96.96030	0.9
97.02950	1.6
97.06591	0.5
99.00885	1.2
101.02455	8.6
109.02958	0.5
109.06606	0.8
111.00915	0.6
111.08154	0.8
113.02457	4.4
116.92871	2.3
119.03522	1.8
119.05020	0.5
125.02477	2.7
127.04074	0.3
139.04094	0.4
143.03514	1.1
149.02368	0.4
161.04573	1.3
163.11292	1.0
165.12852	7.6
171.10316	1.0
179.05595	0.8
181.12381	0.5
183.13910	55.7
184.14293	3.5
190.02747	0.6
199.09695	0.4
199.13448	0.8
201.11311	0.9
207.10335	1.0
209.11832	7.8
211.11630	0.5
211.13431	4.2
221.06648	1.6
225.11290	1.6
227.12889	6.4
228.13173	0.4
235.08147	0.9
379.12173	0.6
397.13452	3.2
415.14548	1.0
607.25873	0.6
625.27081	1.3
650.34668	0.4
737.27612	0.4
773.39941	0.5
791.40717	2.7
792.42322	0.4
797.47815	0.5
799.48413	0.7
817.38959	2.7
818.39417	0.5
835.39856	53.3
836.40289	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	834.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36190	0.1
59.01376	0.6
59.38121	0.1
61.98832	100.0
62.98532	0.2
71.01393	1.7
72.99332	0.1
80.96518	0.1
83.05031	0.1
85.02970	0.1
86.51409	0.1
87.00896	0.2
89.02445	0.3
97.03001	0.1
98.20601	0.2
101.02455	0.3
109.06635	0.3
113.02466	0.2
116.92873	0.1
119.03522	0.1
125.09774	0.1
142.02628	0.1
163.11319	0.2
171.10329	0.3
179.05710	0.1
181.12410	0.1
183.14020	0.1
191.10590	0.1
193.12358	0.1
199.13467	0.2
201.11369	0.3
207.10271	0.7
209.11838	0.9
211.13416	0.9
225.11320	0.6
226.11601	0.1
227.12964	0.4
229.82100	0.1
235.08382	0.1
251.09892	0.1
293.21436	0.1
294.21722	0.1
366.84753	0.1
397.13611	0.5
401.23480	0.1
415.14880	0.2
419.24149	0.1
728.27460	0.1
817.39270	0.3
835.40228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.3
61.98833	100.0
62.98526	1.8
63.99258	4.5
71.01382	9.9
71.71564	1.0
72.99329	1.2
73.02951	2.9
80.05054	0.9
83.01399	2.0
83.05067	1.0
85.02969	3.2
87.00885	2.1
88.98844	1.2
89.02472	3.3
94.98112	1.8
99.00898	1.0
101.02455	5.7
101.94696	0.9
106.06630	8.5
108.04596	2.9
113.02479	3.6
113.03255	0.8
115.00367	0.9
119.03576	1.4
119.56324	0.8
122.06161	1.3
125.02479	1.4
128.07249	1.2
132.04576	3.0
134.06131	7.7
138.05640	1.1
150.05661	1.1
152.07146	1.1
160.04060	20.4
161.02461	1.1
161.04520	1.7
163.11392	1.2
174.01709	1.4
175.02512	2.3
186.12973	1.3
189.04274	1.1
190.45221	0.9
201.07965	1.5
204.03113	1.3
207.10335	1.8
209.11848	3.5
211.08755	2.3
211.13374	2.5
215.09654	1.0
218.04517	1.5
222.07964	1.5
223.08751	1.7
224.09689	1.1
225.06754	1.1
225.10518	1.1
225.11192	1.0
226.07468	3.4
227.11885	1.3
230.11882	1.2
234.07993	1.3
235.08653	2.8
237.10341	1.7
238.07597	1.5
239.08218	6.0
240.08995	4.8
241.09846	4.3
247.08856	1.1
249.06616	2.0
249.10367	7.2
250.07643	1.9
250.10782	1.2
251.08235	14.4
251.11169	1.2
251.11853	1.2
251.68733	0.9
252.08961	13.4
253.09795	16.0
254.10487	1.9
255.11388	40.6
256.11670	3.0
257.12912	5.2
263.08282	7.1
264.08990	1.2
265.06458	1.9
265.09772	14.2
265.12277	1.4
266.10434	2.4
267.07809	2.5
267.11386	14.9
273.12421	1.3
275.08310	2.5
276.09027	2.0
277.06549	1.3
277.09818	11.9
278.07050	11.4
278.09998	1.6
279.07748	33.8
280.08429	6.8
281.09201	1.9
291.07663	4.2
292.08521	1.9
293.09344	32.5
293.47253	0.8
294.09726	3.5
295.10889	19.6
296.11322	1.5
301.11899	0.9
303.07974	0.8
305.09341	0.9
305.49191	0.8
308.08191	1.1
311.10550	2.1
313.12015	2.6
319.07318	3.3
319.11035	2.3
321.08817	93.3
322.09225	8.7
323.10220	1.0
335.10477	1.6
337.08054	1.3
339.09882	54.5
340.10172	4.5
342.12589	1.0
353.11377	5.3
354.11914	1.3
363.09933	6.1
381.10892	5.3
397.14093	0.9
411.12164	1.2
416.16196	1.5
434.17154	1.6
441.12949	1.3
471.34695	2.6
501.15381	1.6
577.20923	11.5
578.20758	3.0
595.22278	5.6
596.22406	1.6
597.23505	2.0
603.18713	4.8
604.19257	1.2
606.20197	1.1
621.20062	30.0
622.20209	6.3
623.21368	9.0
624.22247	2.3
637.23370	2.8
639.21057	52.0
640.21429	11.9
653.22406	5.3
654.23206	1.6
655.24011	4.8
663.21063	3.7
664.21320	1.0
665.22266	1.6
671.23944	4.5
672.23969	1.7
681.22162	13.5
682.22650	2.6
693.22418	1.7
695.23938	2.9
697.25330	3.0
711.23383	3.1
723.23181	2.3
741.24182	13.9
742.24573	2.5
755.26678	2.4
757.27325	3.7
773.27380	3.0
783.25525	5.4
784.26288	2.1
795.45636	5.4
796.45917	3.2
797.46539	2.3
801.26581	12.9
802.26581	2.7
832.44061	3.6
833.29449	2.0
833.43555	14.4
833.84827	1.1
834.43140	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	833.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	40.8
70.70155	0.2
71.01386	0.4
72.99310	4.4
101.02390	0.3
101.61543	0.2
119.05038	6.7
119.06316	0.3
147.04544	100.0
148.04884	5.3
150.03174	0.3
161.02455	0.4
165.05591	84.3
165.27409	0.2
166.05917	4.2
207.06641	54.3
208.06967	3.2
212.29114	0.2
241.33983	0.3
399.74902	0.3
568.99823	0.3
656.95947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.4
59.01131	1.2
59.01379	15.6
61.98832	68.3
63.99237	1.6
67.53767	1.3
71.01392	15.4
71.60746	2.2
72.99313	3.7
73.02946	3.3
74.09144	1.1
75.00874	1.8
83.01390	2.4
83.04992	1.8
85.02950	7.8
85.81950	1.2
87.00883	3.7
88.98837	1.8
89.02442	5.5
97.02934	1.4
97.06673	1.3
97.46409	1.1
99.00855	1.8
99.32198	1.3
101.02470	8.3
106.06666	6.8
108.04565	3.7
109.06590	3.1
113.02461	5.8
115.00391	1.8
119.03519	1.2
119.05040	2.6
121.02991	1.5
122.06142	2.3
123.04493	1.2
124.07706	1.7
125.02461	3.5
131.03554	1.6
132.04521	1.6
133.02988	2.0
134.06136	4.5
138.05666	1.7
142.06630	1.4
145.02946	3.4
150.05652	1.7
160.04053	22.5
161.02432	5.5
161.04530	1.6
163.03938	1.9
163.11241	1.8
171.10228	1.8
174.01695	2.1
174.05672	1.6
175.02493	2.7
179.05644	1.7
180.77997	1.2
181.12318	2.3
188.03529	1.6
195.06664	1.6
197.07245	1.2
201.07950	1.5
207.10298	7.9
209.11880	12.0
210.12164	2.2
211.13303	4.0
211.50496	1.3
218.04495	2.5
223.13434	1.3
225.06784	1.7
225.11484	8.5
226.07518	4.0
227.12784	2.7
230.11865	2.4
235.08698	2.6
236.05940	1.9
236.09520	1.6
237.10246	2.3
239.08270	5.5
240.08891	2.4
241.09679	1.8
249.06714	1.8
249.10272	5.7
250.07562	3.1
250.10489	1.4
251.08241	13.1
252.09038	12.4
253.09785	13.3
255.11369	38.2
256.11710	2.0
257.12915	4.6
263.08209	7.0
264.08929	1.7
265.07245	1.7
265.09839	11.8
266.10504	1.4
267.07993	2.0
267.11398	17.5
268.11676	1.4
275.08322	2.3
276.09009	1.7
277.09824	13.6
278.06927	10.0
278.09842	2.5
279.07730	33.4
280.08307	6.3
281.09317	2.2
291.07651	3.9
291.10843	1.3
292.08368	2.3
293.09308	33.8
294.09698	2.4
295.10852	17.1
296.11130	2.1
299.10416	1.8
303.07672	1.4
311.10251	2.9
313.12042	2.4
319.07172	3.2
319.10849	3.5
321.08820	100.0
322.09082	7.7
337.07782	1.8
339.09869	50.4
340.10114	4.9
353.11414	3.6
361.15863	1.4
363.09796	5.6
381.10892	5.6
397.13580	3.5
441.12854	1.6
577.21088	12.0
578.20886	2.9
595.21942	6.3
596.21533	1.9
597.23444	2.7
603.19104	4.0
621.20148	25.3
622.20660	6.0
623.21411	9.8
637.23248	2.5
639.21082	61.4
640.21228	10.8
653.22858	6.2
654.22485	1.4
655.24091	3.6
663.20984	5.1
665.22791	2.2
671.23596	1.6
681.22443	13.0
682.22351	2.3
693.22351	1.5
695.23578	3.0
697.25311	3.2
711.23218	5.4
723.23322	2.1
727.26495	1.3
741.24298	10.1
742.24408	3.8
755.25531	2.1
757.27509	2.9
767.30573	1.6
783.25305	4.8
801.26465	12.9
802.26208	2.8
815.39008	2.2
833.39148	6.6
834.37708	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	831.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98837	0.6
64.97813	0.4
71.01379	0.9
71.42227	0.7
76.56527	0.4
78.95909	81.7
79.95739	1.1
80.96521	4.3
94.98103	1.0
95.85172	0.4
96.96973	18.5
122.97622	0.4
134.98564	1.1
142.19980	0.4
148.99281	0.5
152.99609	22.1
153.99892	0.5
164.98772	0.5
223.00117	8.6
225.00697	0.7
232.97528	0.4
241.01190	35.4
242.01672	0.7
255.23283	58.9
256.23636	5.8
259.02158	2.4
277.21719	36.4
278.22095	3.8
297.03885	2.4
315.04730	1.0
391.22601	8.1
392.22766	0.9
413.20956	1.0
474.40787	0.4
514.25269	0.4
531.49512	0.4
553.27881	5.5
571.29004	0.8
575.26184	0.5
777.05865	0.4
831.50452	100.0
832.50745	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	832.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98832	100.0
62.98547	0.2
69.49492	0.9
70.35555	0.1
71.01387	0.2
78.95929	0.2
92.47359	0.1
97.06500	0.1
97.67175	0.1
101.02494	0.1
102.27494	0.1
116.92858	0.1
171.10327	0.2
172.38899	0.1
181.46638	0.1
181.62407	0.1
209.11902	0.3
211.13466	0.4
212.13753	0.3
235.89615	0.1
266.64392	0.1
271.16891	0.1
287.16608	0.2
289.18201	0.4
305.17838	0.1
307.19513	0.1
309.20740	0.2
315.77008	0.1
372.59723	0.1
374.06952	0.1
380.57227	0.1
482.77786	0.1
488.90118	0.1
582.16779	0.1
812.46960	0.1
832.50647	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	831.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.6
61.98835	95.9
66.63317	0.5
69.03475	1.0
71.01394	4.2
71.70779	0.6
73.02957	0.6
78.91900	0.9
78.95929	1.0
83.05014	0.6
85.02956	0.8
88.98837	1.3
89.02460	1.7
95.04985	0.5
97.02995	1.4
101.02457	3.0
105.41779	0.6
109.06636	0.5
111.08160	2.6
113.02482	1.5
119.03491	0.5
123.47761	0.6
143.03506	0.5
145.05000	0.6
161.04597	1.8
163.11346	0.6
165.12892	1.2
167.14438	0.6
169.12343	0.9
171.10266	1.1
181.12437	0.6
183.13901	5.5
183.67874	0.6
193.12300	1.5
197.11855	13.7
198.12126	1.0
199.13472	0.8
200.18050	0.5
209.11809	1.0
211.13416	100.0
212.13782	5.5
227.12909	1.3
230.75136	0.5
235.08261	5.1
247.20631	1.3
253.09294	11.6
253.11790	0.9
254.09570	0.9
291.19662	13.3
292.19952	1.5
309.20734	36.5
310.21054	3.5
377.26608	0.5
379.55411	0.5
405.62900	0.6
409.49100	0.6
447.22388	9.7
448.22412	1.3
465.44321	0.5
485.32928	0.7
503.33505	0.9
510.40347	0.6
527.28094	2.4
545.29797	2.9
546.29913	0.7
739.42896	2.2
755.52100	0.5
831.50262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.2
59.00734	0.1
59.01381	3.8
61.98836	7.1
67.52020	0.2
69.57275	1.0
69.57693	0.3
71.01389	3.8
72.01728	0.2
72.99321	0.4
73.02963	0.9
74.39051	0.1
75.00880	0.2
77.03988	0.3
83.01405	0.7
84.25608	0.1
85.02965	1.8
85.47288	0.1
87.00896	0.4
88.98843	0.2
89.02467	1.8
89.03994	0.4
93.03438	0.1
95.01417	0.3
95.05055	0.2
99.00899	0.4
101.02455	2.9
105.03480	0.5
107.05046	0.4
111.00915	0.3
113.02476	1.4
113.12262	0.1
115.00368	0.2
115.01973	0.2
117.03505	2.3
119.03503	0.6
121.02982	0.3
123.04568	0.9
125.02481	0.4
132.02185	1.9
133.02983	38.7
134.03450	1.5
135.04552	12.9
136.04865	0.6
137.02481	0.5
145.03009	0.3
149.06090	0.2
159.03006	0.4
160.01689	0.3
161.02470	100.0
162.02803	5.2
163.04137	0.2
170.82671	0.1
177.05559	0.4
179.03525	6.0
180.03844	0.5
205.05101	0.2
209.11819	0.5
211.13353	0.2
221.04645	0.2
507.35739	0.3
651.37708	0.3
652.36310	0.2
669.40509	0.3
831.44171	52.3
832.44482	15.3
838.07813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37320	0.5
59.01380	5.3
61.98835	100.0
62.98550	0.6
63.99268	0.6
71.01392	4.1
71.71879	0.6
72.99317	1.0
73.02937	1.9
78.29101	0.4
80.05073	1.6
83.01403	1.2
85.02977	1.7
87.00893	1.0
88.98815	0.7
89.02467	1.3
95.01415	0.7
95.04997	0.4
99.00900	0.9
101.02454	3.5
106.06648	2.2
108.04584	5.4
112.98812	0.4
113.02473	1.8
115.00383	0.8
117.03507	0.7
119.03547	0.7
121.05375	0.5
123.04559	0.6
124.07713	1.8
132.04608	3.0
133.02975	6.6
134.06149	1.2
135.04565	2.6
136.07703	8.0
142.99915	1.2
145.05304	0.4
150.05598	0.8
157.09444	0.4
158.06084	0.5
160.01775	0.8
160.04083	7.1
160.07738	0.6
161.02472	15.4
161.04581	1.2
162.02782	1.3
165.05521	0.5
173.00903	0.4
174.01642	1.4
175.02530	2.0
178.71461	0.4
179.03505	1.1
183.13972	0.5
186.01877	0.5
186.05647	0.5
193.05334	0.4
193.07240	1.1
204.02963	1.1
204.06601	0.4
209.11853	4.0
210.07967	0.5
211.08760	1.2
211.13383	3.6
218.04602	5.2
219.13942	0.5
221.10698	0.5
222.07961	0.7
223.08763	1.6
224.09534	0.6
225.10347	1.4
227.12914	0.9
228.03003	0.6
234.07909	1.2
235.08755	1.1
236.05884	1.8
236.09587	0.4
237.06667	0.5
237.10442	0.6
238.07503	1.3
239.08287	4.6
240.08913	0.6
241.09854	0.6
249.06554	0.8
249.10295	4.3
250.07455	2.3
251.05492	0.5
251.08241	14.3
252.08887	3.5
253.09775	4.9
257.12952	16.1
258.13220	1.4
263.08240	4.5
264.05475	0.6
264.08804	1.2
265.06799	0.4
265.09802	8.1
266.10120	0.8
267.07733	1.9
267.11273	1.2
268.08179	0.6
275.08200	1.6
276.09064	1.9
277.06702	0.3
277.09827	10.0
278.07001	8.4
278.09924	0.9
279.07739	27.5
280.08267	4.8
281.09195	0.6
281.12994	0.8
291.07718	1.2
292.08472	1.2
293.09323	20.7
294.09784	2.2
295.10861	0.8
303.07813	0.9
306.07422	0.6
308.08115	0.8
319.07043	0.7
321.08826	52.4
322.09131	5.6
325.11929	0.8
327.21603	0.9
339.09940	1.0
357.12149	0.5
416.16196	0.5
418.17584	1.3
483.18970	0.6
497.15649	0.7
515.16443	1.3
533.22382	0.4
535.19342	1.4
536.20239	0.5
547.20001	0.5
551.19891	0.5
563.19171	1.1
577.20868	4.3
578.21002	0.8
605.20367	10.6
606.20654	2.3
612.25574	3.2
613.25592	0.7
627.40826	0.4
633.39978	0.6
637.22516	1.2
799.28571	33.7
800.28821	8.8
831.30865	41.3
831.44208	6.9
832.31219	13.7
832.44360	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	831.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.8
61.98835	0.4
62.78779	0.2
65.18065	0.2
67.01919	0.3
68.99847	0.4
69.74747	0.5
69.75156	1.3
71.01389	7.3
72.99303	2.0
73.02950	1.3
75.00880	4.6
79.13473	0.3
79.42501	0.2
83.01406	1.0
83.05025	0.3
84.33103	0.2
85.02962	9.9
87.00896	3.2
89.02462	3.3
95.01405	1.9
97.02960	0.6
98.19904	0.5
99.00897	3.4
101.02443	2.4
103.00392	1.0
105.03519	0.3
109.02930	0.4
111.00918	0.9
113.02473	9.2
114.02765	0.3
115.00383	0.6
117.01964	1.0
117.03488	0.8
119.03548	0.6
121.02974	27.4
122.03288	1.3
123.04539	0.3
125.02463	0.3
129.01950	2.2
131.03532	0.4
132.02208	0.9
133.02982	22.8
134.03651	1.0
135.04547	12.1
135.06638	1.4
136.04893	0.4
137.02412	0.4
139.04085	0.2
139.60245	0.2
142.06651	0.4
147.04530	0.3
149.02509	0.5
149.06061	0.4
151.04158	0.3
157.08754	0.4
159.03008	0.9
159.04292	0.2
160.01680	0.3
161.02469	99.2
162.02803	5.6
163.04132	0.4
164.04912	0.3
165.05618	0.4
175.02516	0.7
175.04002	0.4
177.01871	0.5
177.05605	0.6
179.03519	9.9
179.05157	0.5
180.03888	0.4
193.03464	0.3
193.05106	0.3
200.96707	0.2
204.06609	0.3
207.06592	0.3
209.06680	12.4
210.07008	0.8
221.04561	1.0
223.06117	0.5
231.05154	0.9
249.06165	5.9
249.65617	0.3
250.06354	0.4
251.05600	0.5
281.06564	1.2
297.12286	0.3
323.07809	0.3
353.08597	0.4
369.08041	0.3
371.09848	61.2
372.10214	5.8
407.15540	0.5
459.15085	100.0
460.15436	12.4
836.55719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.5
60.94273	0.4
60.99335	0.5
61.98832	71.4
67.36582	0.4
71.01391	8.2
71.04708	1.1
71.05058	0.6
72.99319	1.0
73.02946	1.8
80.05077	1.8
80.72685	0.4
83.01393	1.5
85.02943	4.7
86.00098	0.5
87.00886	1.2
88.98808	1.8
89.02454	3.0
95.01399	1.3
95.48705	0.5
97.02924	0.6
99.00886	1.3
101.02471	6.8
104.05068	0.6
105.03436	0.7
106.06642	2.2
108.04578	6.2
111.00930	1.1
113.02455	3.3
115.00380	0.8
117.03485	1.9
119.03534	1.2
121.03009	0.6
121.05387	1.0
122.06143	0.7
123.04550	1.3
124.07700	1.8
132.02174	1.9
132.04552	2.9
133.02974	34.4
134.03688	1.4
134.06131	1.2
135.04546	12.1
136.04895	0.6
136.07710	7.4
137.02472	0.9
145.02965	0.9
149.02556	0.5
150.03195	0.6
150.05605	0.9
152.07153	0.6
159.03020	0.5
160.01785	0.6
160.04051	8.5
160.07715	0.7
161.02466	100.0
162.02785	3.2
163.04045	0.5
165.05594	0.8
174.01721	1.1
175.02533	1.1
175.03973	0.7
176.03465	0.7
179.03510	6.6
185.23167	0.5
189.69473	0.5
193.05124	0.6
193.07153	0.8
204.03062	1.0
209.04665	0.4
209.11844	2.2
210.08005	0.9
211.08755	1.5
211.13364	1.6
218.04570	4.7
221.10852	0.5
223.08759	1.5
224.09415	0.6
225.10397	1.4
228.03040	0.5
234.07913	0.9
235.08723	1.2
236.05826	1.3
237.06567	0.8
237.10193	0.5
238.07495	0.9
239.08246	4.6
239.11884	0.7
240.08752	0.7
241.09796	0.6
242.10550	0.7
247.08612	0.6
249.06712	0.7
249.07939	0.6
249.10286	4.5
250.07512	2.3
251.08250	14.3
252.08911	3.2
253.09821	5.2
254.10114	0.6
254.56641	0.6
255.11261	0.6
257.12961	18.6
258.13260	1.3
263.08212	4.6
264.08862	1.4
265.09808	7.7
266.10217	1.1
267.07709	1.4
267.11292	1.8
275.08136	1.4
276.09009	2.0
277.06644	0.6
277.09830	11.0
278.07022	7.4
278.10086	1.1
279.07761	26.9
280.08255	3.9
281.09576	0.6
281.12918	1.3
282.72223	0.5
291.07733	1.6
292.08469	1.3
293.09314	23.0
294.09711	2.1
295.10983	0.8
300.02664	0.6
303.07748	1.1
306.07660	1.5
308.08124	0.6
319.07272	1.5
321.08810	55.6
322.09204	6.0
325.11880	0.9
339.09976	0.7
353.11282	0.7
418.17612	1.2
436.18732	0.6
495.20502	0.6
515.16455	2.2
533.22040	0.8
535.19666	1.1
543.20032	0.5
550.84058	0.5
577.21057	3.9
578.21625	1.1
605.20465	12.0
606.20801	2.3
612.25739	3.6
613.25635	0.6
637.23193	1.5
638.23279	0.5
669.40771	0.7
799.28638	30.1
800.28827	5.8
830.42480	1.0
831.30670	44.4
831.44141	45.0
832.31079	11.6
832.44531	6.7
857.95624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98834	100.0
62.05846	0.1
62.98544	0.1
64.08416	0.0
69.03444	0.1
71.01396	0.5
72.42900	0.0
72.99338	0.0
73.02956	0.1
78.95916	0.0
83.01414	0.1
83.05064	0.1
85.02984	0.1
87.00912	0.1
88.98842	0.1
89.02428	0.3
95.25307	0.0
97.03005	0.1
99.00905	0.1
101.02449	0.2
103.48382	0.0
109.83837	0.0
113.02479	0.2
119.03481	0.1
124.63696	0.0
125.02496	0.1
131.03548	0.1
143.03471	0.1
149.02467	0.1
161.02452	0.1
161.04634	0.1
163.11310	0.1
164.04854	0.1
169.12401	0.1
171.10370	0.1
174.01514	0.0
179.05679	0.1
179.07115	0.1
195.13998	0.1
197.11699	0.0
203.31706	0.0
205.12489	0.1
207.10301	0.0
209.11845	1.8
211.13344	0.0
221.06674	0.1
223.13408	1.0
225.11438	0.1
227.12952	0.2
235.08315	0.1
253.09360	0.1
300.53494	0.0
325.69089	0.0
327.21964	0.1
379.12622	0.1
397.13550	0.6
415.14743	0.1
603.27136	0.1
621.27911	0.1
769.47943	0.1
770.47034	0.3
830.45642	0.1
831.35822	0.1
831.45990	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	830.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98835	100.0
62.05873	0.1
62.98539	0.1
63.99245	0.1
71.01387	0.4
71.70414	0.1
72.71543	0.1
72.99332	0.1
73.02972	0.1
74.02492	0.1
75.00901	0.1
81.03467	0.1
83.74505	0.1
85.02981	0.2
87.00914	0.1
88.98833	0.1
89.02446	0.1
97.02877	0.1
101.02464	0.2
113.02505	0.2
115.00346	0.1
133.03030	0.3
161.02481	0.7
161.04584	0.1
162.02902	0.1
174.01736	0.1
175.02509	0.1
180.97092	0.1
183.13997	0.1
209.11884	0.4
211.13437	0.2
218.62740	0.1
223.13301	0.1
225.11421	0.1
227.12973	0.1
284.37952	0.1
309.20914	0.1
358.32217	0.1
411.26453	0.1
657.35004	0.2
769.47144	0.1
770.47748	0.3
830.44836	0.5
831.45117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
59.92303	0.1
61.98835	100.0
62.98535	0.2
63.99276	0.1
71.01414	0.4
71.71715	0.1
72.99319	0.1
73.02970	0.2
83.01397	0.2
85.02973	0.3
87.00903	0.1
88.98840	0.1
89.02483	0.1
99.00912	0.1
101.02478	0.2
109.06626	0.1
111.00908	0.1
112.98983	0.1
113.02496	0.2
133.02985	0.1
135.04613	0.1
161.02504	0.3
175.02472	0.1
175.04054	0.1
209.11877	0.4
211.13449	0.2
225.11374	0.1
227.13058	0.1
397.13327	0.1
523.46118	0.1
769.50543	0.1
770.51257	0.4
830.44647	0.1
831.45587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98833	100.0
62.98537	0.2
71.01405	0.2
73.02960	0.1
83.01444	0.0
85.02986	0.1
87.00919	0.0
88.98833	0.1
89.02454	0.1
94.98976	0.1
101.02486	0.2
119.05103	0.0
131.03571	0.1
133.03004	0.1
135.04613	0.1
136.97594	0.0
145.02975	0.0
161.02542	0.1
191.03395	0.0
201.30095	0.0
209.11809	0.1
211.13446	0.0
224.27083	0.0
250.23166	0.1
469.33505	0.1
473.15704	0.0
767.45905	0.1
768.45691	0.6
769.45276	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	829.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.3
59.01382	4.9
60.99303	0.4
61.98832	10.3
62.37319	0.1
70.63113	0.4
71.01388	4.9
72.99328	0.6
73.02953	0.9
77.03976	0.2
77.58995	0.1
83.01411	0.6
85.02960	1.8
87.00896	0.6
88.98819	2.0
89.02462	2.9
89.03986	0.3
90.47652	0.1
93.03429	0.2
95.01411	0.5
95.05027	0.2
97.02956	0.2
99.00906	0.5
101.02461	3.2
101.03082	0.3
105.03455	0.7
107.05068	0.3
109.02980	0.3
111.00912	1.0
112.37667	0.2
113.02478	2.0
116.92810	0.2
117.03494	2.1
119.03519	1.0
119.05058	0.4
121.02979	0.4
123.04550	0.7
125.02480	0.3
129.01910	0.3
131.03587	0.2
132.02197	2.0
133.02977	38.8
134.03442	1.4
135.04546	14.1
136.04866	0.6
137.02502	0.5
143.03430	0.2
145.02953	0.3
149.02446	0.2
149.06105	0.2
159.02954	0.2
159.04324	0.2
160.01671	0.4
161.02466	100.0
162.02809	4.9
163.03943	0.3
165.05608	0.3
175.03941	0.2
177.05606	0.7
179.03516	7.2
179.05666	0.3
180.03912	0.3
193.05241	0.2
207.10286	0.2
219.13754	0.2
221.04588	0.4
221.06548	0.2
258.14087	0.2
263.07840	0.3
264.18518	0.2
281.06717	0.2
281.69034	0.2
297.07800	0.2
397.96692	0.2
435.42902	0.1
505.34317	0.3
630.32288	0.2
649.35803	0.2
667.38739	0.3
748.47583	0.2
829.42505	45.4
830.42810	11.4
830.58868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.4
59.01382	22.4
61.21261	0.5
61.98834	60.0
69.03458	1.0
71.01389	34.0
71.71257	1.0
72.01705	0.7
72.99310	2.8
73.02953	14.5
75.00872	1.9
83.01402	6.2
85.02962	20.7
86.00123	0.7
87.00905	4.3
87.04524	0.8
88.98827	2.6
89.02457	6.3
94.61376	0.5
95.01390	2.4
97.02962	1.5
99.00898	5.4
99.92123	0.5
101.02459	23.7
103.04041	1.5
109.02955	0.6
111.00885	1.7
113.02461	13.9
114.02776	0.8
116.92931	0.9
119.03535	1.4
119.05016	1.7
121.08537	0.8
125.02431	1.4
129.01962	1.4
131.03441	1.0
133.03017	1.4
135.04564	2.9
137.02438	0.8
140.32558	0.6
143.03477	2.6
149.02452	0.6
149.06195	0.6
159.02971	1.5
161.02490	6.9
161.04550	6.8
174.01750	0.7
175.04044	0.6
177.01950	0.9
177.05498	1.0
178.02716	0.6
179.03606	1.4
203.08243	1.7
205.07153	0.7
211.13647	0.7
323.07852	3.0
621.44031	3.1
622.43628	1.1
744.69019	0.7
767.49811	100.0
768.50134	24.2
827.39368	5.1
828.39862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.2
58.52973	0.3
59.01380	40.6
60.01712	0.5
61.00204	0.3
61.98833	21.7
71.01388	26.8
72.01714	0.4
72.99319	3.5
73.02950	5.2
75.00857	0.4
83.01414	2.3
83.05035	0.4
85.02959	11.6
87.00874	1.8
87.04536	1.1
88.98789	0.3
89.02455	17.2
90.02760	0.3
94.86316	0.3
95.01397	0.6
97.02872	0.3
99.00926	0.7
99.04579	0.4
101.02457	13.1
102.02817	0.4
103.04018	3.5
111.00906	0.4
113.02471	3.7
115.04028	0.6
119.03539	1.1
125.02539	0.3
127.04009	0.7
131.03520	10.8
132.03891	0.3
134.03818	0.3
143.03490	1.0
145.02991	0.4
145.05092	0.7
149.04585	1.5
161.02452	0.4
161.04636	0.4
163.06114	1.3
174.01762	0.4
205.07233	0.8
209.11798	0.4
211.13425	0.3
230.57327	0.4
455.31616	0.3
457.33112	0.9
458.33301	0.4
469.33173	0.6
489.36240	2.6
621.40222	6.7
622.40552	1.3
646.39008	0.4
654.53058	0.3
665.38904	0.4
767.46173	100.0
768.46503	26.2
827.42389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.5
59.01381	41.9
60.01693	0.7
61.98832	37.1
64.46298	0.4
69.28432	0.4
71.01389	29.0
71.04236	0.7
71.31094	0.4
72.01713	0.4
72.99322	3.9
73.02949	6.3
75.00874	0.7
81.03461	0.4
83.01408	2.6
83.05033	0.4
83.39439	0.4
85.02964	13.4
87.00871	2.7
87.04511	1.5
88.98803	0.8
89.01913	0.9
89.02458	18.3
91.06351	0.4
95.01363	0.5
99.00875	0.7
101.02459	13.5
103.04031	3.5
105.01928	0.5
109.58860	0.4
113.02470	3.5
116.92909	0.6
119.03542	2.1
119.05058	0.6
121.02969	0.5
125.02412	1.0
131.03525	10.8
135.04524	0.8
143.03508	1.5
145.05048	0.7
149.04541	0.7
161.02454	1.1
161.04608	0.6
163.06122	1.6
174.01741	0.7
175.02507	0.6
175.04033	0.6
177.24019	0.5
185.45113	0.4
191.03476	0.6
205.07155	1.0
209.11755	0.7
223.13298	0.5
243.84030	0.4
323.07443	0.5
443.37057	0.5
455.31866	0.4
457.33115	0.8
469.63077	0.5
489.36462	2.3
490.36539	0.5
533.34302	0.5
621.40179	6.1
622.40771	1.6
631.13470	0.4
767.46185	100.0
768.46545	28.5
827.41772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.0
59.01381	37.6
61.98835	37.5
71.01392	17.7
71.71126	0.8
72.99315	3.5
73.02963	4.7
75.00879	6.6
77.75231	0.6
81.03450	0.5
83.01395	4.1
85.02962	14.1
86.00095	1.5
86.03278	0.6
87.00886	1.2
87.04530	5.0
88.98814	2.9
89.02457	4.4
95.01375	0.6
97.02968	0.8
99.00887	1.3
101.02460	19.5
103.04014	2.8
109.03003	0.8
112.01712	0.7
113.02464	2.0
116.92896	1.0
119.03543	1.4
119.05022	1.0
121.03004	0.8
125.02452	0.9
127.04020	0.5
131.03519	16.2
133.02960	0.6
135.04591	0.7
145.03008	0.6
149.02454	0.8
161.02458	1.5
162.55603	0.5
163.06197	0.5
165.05647	0.5
174.01723	0.8
175.04063	0.6
177.01952	0.6
191.03522	2.5
203.16599	0.5
211.07626	1.9
220.61568	0.6
235.76587	0.6
297.07681	2.4
339.08878	0.7
381.27884	0.9
383.29517	1.2
401.30643	5.1
402.30997	1.3
443.31979	0.6
459.34586	1.4
489.36340	0.6
533.34851	1.3
540.88794	0.6
621.40417	3.5
622.40869	0.7
737.45129	1.3
749.45172	7.8
750.45447	1.8
760.96704	0.7
767.46204	100.0
768.46539	27.3
782.17950	0.5
827.42059	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	827.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	4.1
59.01381	63.3
60.01714	0.7
61.98834	14.3
71.01389	43.1
72.01736	0.7
72.99313	4.9
73.02957	7.6
73.03342	0.8
74.27736	0.3
75.00873	0.7
79.01165	0.4
81.03462	0.4
82.32767	0.4
83.01400	4.7
85.02962	18.2
86.00123	0.7
87.00900	3.8
87.04539	1.1
88.98814	0.5
89.02455	31.2
90.02838	0.6
95.01398	1.1
97.02956	0.4
98.19921	1.1
99.00897	1.3
101.02458	18.1
103.04027	4.1
108.75925	0.4
113.02471	6.9
115.04033	1.1
119.03527	2.0
119.04993	0.5
125.02512	0.4
127.04018	0.8
129.01961	0.5
131.03523	17.6
143.03537	2.3
145.02968	0.6
145.05092	0.5
149.04585	2.6
161.04619	0.7
163.06158	1.5
163.07661	1.7
171.10234	0.9
197.11827	0.6
201.11334	0.5
205.07133	1.6
209.11819	1.7
211.13489	1.0
225.11313	0.6
229.38881	0.6
253.09004	0.5
297.22070	0.7
299.20367	0.6
301.21643	0.6
309.20728	1.9
311.20099	0.6
313.21817	2.6
314.22025	0.4
315.19131	0.4
325.21750	0.8
343.22900	0.6
345.20544	0.7
345.24332	2.5
373.27451	0.9
381.26648	0.5
389.23508	1.0
398.92532	0.4
421.31354	0.9
441.33408	0.8
452.40622	0.5
453.34338	0.7
471.34616	1.3
495.29590	9.4
496.29901	1.6
497.32971	0.5
592.76184	0.4
603.39044	5.7
604.39368	1.4
605.40491	0.5
621.40326	6.1
622.40570	1.9
623.41522	1.1
627.84119	0.4
641.35565	7.2
642.36066	1.0
665.42902	0.6
749.45215	26.5
750.45435	6.1
767.46191	100.0
768.46594	27.1
827.42676	0.5
828.44104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
66.21243	1.1
69.99732	5.5
71.01391	2.4
73.02962	2.5
82.02982	3.4
83.01399	1.6
94.02995	30.3
96.04563	5.0
98.19812	1.2
101.02442	1.4
107.03774	1.1
108.04587	3.6
110.06134	7.5
120.08208	21.1
121.05347	1.1
121.08579	1.2
122.06121	10.8
131.07184	1.8
134.26215	0.9
136.04079	2.0
138.05626	14.0
142.06619	1.1
144.04568	3.7
146.06128	1.5
147.04568	2.9
148.07671	1.4
150.05617	2.1
151.00377	3.1
161.02567	1.0
161.04863	1.4
162.05652	2.6
164.07140	3.1
165.05598	3.5
173.04739	1.4
174.05621	3.2
178.99812	1.2
181.25587	0.9
188.03520	1.1
188.07144	1.7
189.10303	0.9
196.63785	0.9
199.08759	1.0
201.10210	1.0
203.05899	7.9
204.06494	2.0
207.06679	1.7
213.10490	1.3
215.11940	4.3
217.13467	1.0
223.08786	2.9
236.09605	2.4
237.10286	4.8
238.11070	1.8
239.11818	2.2
243.03133	1.8
243.11420	2.2
249.10265	2.1
250.11122	1.5
251.11859	17.4
252.12408	2.0
254.02240	1.4
255.02957	8.0
256.03537	1.1
257.12857	1.9
261.12408	3.0
263.08212	2.7
263.11850	4.2
264.08984	4.1
264.12592	2.4
265.09741	3.2
265.13513	4.5
267.11609	1.1
271.02487	13.7
272.03098	1.4
275.07968	1.7
275.12000	1.1
276.08963	5.6
277.09830	17.5
278.10504	6.0
279.11292	4.8
281.09464	2.0
282.10144	1.9
283.10892	2.8
284.11435	1.3
285.12338	2.4
290.10574	2.2
291.11404	20.2
292.12140	19.5
293.12927	15.0
294.13452	2.1
295.10883	1.8
300.02771	33.3
301.03421	9.3
302.03842	1.0
303.13556	2.3
311.10324	1.1
312.11023	1.2
313.11990	2.6
315.11163	1.0
318.10165	2.5
319.10654	1.3
324.11188	2.4
325.11978	4.0
332.14142	1.1
335.10385	10.4
336.11145	10.7
337.11902	4.8
343.12845	2.3
346.15680	4.7
347.16327	1.7
358.15695	1.8
360.17230	3.3
362.18851	1.4
372.17270	4.5
374.15115	2.5
378.11993	1.1
386.14944	1.7
388.16586	4.2
389.17499	2.3
390.17950	2.2
400.16565	1.7
402.18176	3.6
404.15942	1.5
406.17468	2.0
414.18320	9.8
415.18869	1.8
418.17728	5.5
419.18085	1.5
430.17715	1.9
432.19360	4.4
433.20013	1.7
436.18912	2.0
441.16568	1.2
447.17776	1.9
448.18622	1.8
458.17218	3.1
459.17892	8.4
460.18552	3.4
469.22284	1.8
472.18732	1.1
476.18347	8.0
477.18945	4.2
478.19556	2.7
490.19812	3.6
508.20892	19.3
509.21127	3.7
511.23404	2.5
529.24341	2.6
537.21045	2.0
550.21643	2.6
555.22571	5.1
573.23590	10.7
574.24005	2.2
579.22540	1.4
587.25073	7.8
597.23358	4.5
605.26178	100.0
606.26520	24.0
609.14777	39.1
609.22058	1.0
610.15045	8.3
615.24615	9.5
616.25098	1.6
617.26086	1.9
629.26514	6.2
633.25861	16.9
634.26117	3.3
647.27307	69.2
648.27570	16.4
665.28351	80.8
666.28625	21.1
689.28406	10.7
690.28717	2.9
707.29498	10.1
708.30176	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	827.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.5
61.56799	1.1
69.70287	4.8
69.70690	2.8
71.01387	13.7
72.99324	2.2
82.03001	2.2
83.01411	1.4
85.02957	3.9
87.00893	2.6
89.02460	6.8
94.02991	20.4
94.06635	1.6
95.01427	1.9
96.04044	1.2
96.04547	7.1
101.02451	7.1
106.06623	1.7
108.04550	3.4
110.06135	6.2
113.02469	2.9
116.05073	2.0
119.03562	1.9
120.04555	1.7
120.08209	35.3
121.05367	2.8
121.08603	1.4
122.06152	18.9
133.02986	1.7
133.14101	1.0
134.06154	2.1
136.04083	1.8
137.04796	1.4
138.04642	1.8
138.05635	16.3
142.06645	38.8
143.06990	4.4
144.04581	6.6
146.06114	1.8
150.05608	1.6
152.07196	2.8
158.06169	3.8
160.04099	1.6
161.02469	5.7
161.04657	2.8
162.05605	2.5
164.07211	4.2
174.05627	6.4
179.03523	1.7
179.05533	1.5
186.05635	13.9
187.05875	2.5
188.03586	1.5
193.04982	1.3
199.25710	1.1
203.05865	6.2
204.06664	22.9
205.07027	4.6
213.10344	5.0
215.11882	4.5
217.13489	1.7
223.08737	2.5
225.10059	1.0
236.09525	5.1
237.10329	5.6
238.11055	1.5
239.11899	4.2
241.13541	2.0
243.11606	1.3
246.07709	13.2
247.08072	1.7
249.10303	3.2
250.07379	2.2
250.11116	2.6
251.11897	22.0
252.12453	3.8
253.09848	1.1
261.12485	4.2
262.11191	2.5
263.08414	6.0
263.11737	6.4
264.08997	6.8
264.12411	2.3
265.09872	3.7
265.13452	10.5
266.10446	1.5
266.13812	1.5
267.11301	2.4
268.08752	1.7
276.08972	7.1
277.09824	34.8
278.10483	18.4
279.11258	6.1
280.12128	1.2
281.12656	1.2
282.09714	1.2
283.10913	3.4
285.12360	7.5
290.10492	1.7
291.08109	1.9
291.11411	38.2
292.12143	36.9
293.09576	1.6
293.12903	41.7
294.13309	6.9
295.10858	3.3
311.10312	1.2
313.11877	1.2
319.10907	4.2
324.11255	6.3
325.11865	5.1
335.10312	12.9
336.11139	22.5
337.11853	17.5
338.12546	3.7
343.13156	2.5
346.15628	5.0
356.13937	2.2
358.15741	5.3
360.13278	1.6
360.17374	2.3
361.17526	1.4
370.15421	1.9
370.19562	1.5
372.13248	1.4
372.17242	8.6
373.17685	2.8
374.14847	2.2
374.18808	3.8
374.28845	1.4
384.13492	1.7
386.14844	5.1
388.16446	4.0
389.17480	2.2
398.15225	1.9
400.16623	3.3
402.18372	3.1
403.18973	1.3
412.16333	2.5
413.17307	2.5
414.18237	15.3
415.18918	7.3
418.17661	7.0
421.16483	1.5
432.19586	5.4
441.17093	4.7
444.15958	1.4
446.16550	1.6
447.17963	3.1
451.95532	1.2
452.02414	1.4
458.17157	8.3
459.18030	25.3
460.18408	4.6
469.22345	3.7
474.84506	1.2
476.18094	8.0
477.18906	9.4
478.19736	4.0
490.13315	2.0
490.19818	15.4
491.19528	2.5
508.20828	35.6
509.21222	5.6
511.23312	4.1
529.24353	3.4
553.24536	2.4
555.22711	6.7
556.22919	2.5
571.25549	2.1
573.23547	17.2
574.23853	4.3
575.25006	1.6
578.80231	1.3
587.25116	19.4
588.25909	2.2
597.23590	5.1
605.26202	100.0
606.26599	20.1
615.24915	12.7
616.25073	2.9
629.26318	10.8
630.26343	2.3
647.27325	27.2
648.27679	5.8
665.27924	1.6
670.26227	4.8
735.28748	5.9
767.31708	20.5
768.31549	6.2
777.30328	11.7
778.30457	1.5
795.31250	55.2
796.31537	15.7
809.32703	13.6
810.33472	3.1
827.33936	55.7
828.34052	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.3
61.98833	100.0
62.98540	0.2
65.09332	0.0
69.46263	0.2
69.46679	0.4
71.01396	0.4
73.02953	0.2
73.39403	0.0
80.82372	0.1
83.01404	0.1
83.05052	0.1
85.02975	0.2
88.98840	0.1
89.02438	0.1
95.45126	0.1
96.96066	0.1
99.00974	0.1
101.02482	0.2
102.05644	0.2
113.02468	0.1
125.02513	0.1
126.90517	0.1
151.92787	0.1
175.02505	0.1
209.11885	0.5
210.12160	0.1
227.13118	0.1
253.09253	0.1
270.46576	0.1
277.21835	0.2
309.20740	0.1
321.09195	0.1
330.00485	0.1
331.26376	0.1
456.35834	0.1
457.36090	0.1
458.36627	0.1
461.97989	0.1
626.58521	0.1
765.47278	0.3
766.48303	1.1
767.48151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
61.98835	100.0
62.05848	0.1
62.98541	0.2
62.99250	0.1
63.99267	0.2
71.01398	0.2
71.25832	0.2
75.00891	0.3
85.02987	0.1
101.02499	0.2
101.36791	0.1
113.02566	0.1
126.10973	0.1
209.11923	0.3
210.12239	0.1
227.12917	0.1
253.09274	0.1
291.19650	0.1
309.20844	0.2
313.01712	0.1
461.23389	0.1
765.47052	0.2
766.47369	0.4
826.43127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
63.98175	0.5
68.89268	0.5
69.70985	4.1
71.01385	3.5
73.02958	2.7
82.02989	2.5
83.01391	1.7
92.05093	0.9
93.08602	0.5
94.02995	32.0
94.06615	0.7
95.03282	1.0
95.05052	0.7
96.04565	4.4
96.56882	0.5
99.00903	0.6
101.02444	1.2
108.04578	3.5
110.06146	8.5
113.02472	0.8
119.05011	0.6
120.08214	23.3
120.88732	0.5
121.05361	1.3
121.08565	1.4
122.06138	12.2
124.04034	0.7
130.06635	0.6
132.04623	0.6
134.06145	1.6
136.04082	2.5
137.04852	1.4
138.05638	15.9
142.06648	1.3
142.13939	0.7
144.04570	4.7
146.06148	1.0
147.04567	3.4
148.07718	0.7
150.05659	2.7
152.07205	0.6
161.02422	0.7
162.05629	1.6
164.07152	3.6
165.05568	3.2
174.05641	5.2
188.03523	2.3
199.08653	0.8
201.10301	1.4
203.05923	8.0
204.06572	2.7
207.06589	1.9
209.10822	2.0
213.10353	1.3
215.12004	2.9
217.13429	1.3
223.08789	2.0
224.09555	0.9
225.10405	1.1
225.13971	0.7
236.09520	2.6
237.10309	5.7
238.11024	1.6
239.08287	0.9
239.11971	2.7
241.09824	0.9
243.11342	1.7
248.09544	1.2
249.10251	1.5
249.13971	1.4
250.07425	0.8
250.11128	1.1
251.11882	17.4
252.08966	0.7
252.12343	2.8
253.09860	1.0
253.13258	0.7
257.12900	1.6
259.10812	0.9
259.14630	0.6
261.12610	3.6
262.07501	0.6
262.11032	0.8
263.08447	3.6
263.11847	5.1
264.09012	5.0
264.12238	1.3
265.07089	0.6
265.09802	2.3
265.13428	4.5
266.10605	1.4
267.11420	1.6
268.08414	0.9
269.12946	1.6
271.02490	1.0
275.08194	2.2
275.11838	1.0
276.09012	4.6
277.09827	21.5
278.10504	7.6
279.11386	3.4
280.12012	0.8
281.09323	2.2
281.12772	1.0
282.09964	1.7
283.10803	2.6
284.11420	1.0
285.12427	2.0
289.13425	0.8
290.10559	2.8
291.08121	1.4
291.11392	21.3
292.12128	22.2
293.09711	0.9
293.12918	14.2
294.10330	0.6
294.13486	2.0
295.07639	0.6
295.10867	2.2
295.14032	0.8
300.02771	1.4
303.13541	3.7
308.11560	0.9
309.12222	0.7
310.13062	0.6
311.10477	1.2
313.11938	2.5
316.12061	0.6
318.09869	2.8
319.10855	2.0
322.09518	0.7
324.11172	3.8
325.11862	4.4
329.11462	0.8
332.14221	0.9
335.10342	9.9
335.13980	1.1
336.11093	11.0
337.11874	5.8
338.12579	0.8
343.12970	3.4
344.13873	1.1
344.17645	1.0
345.14655	1.2
346.15561	4.2
347.16183	0.8
348.17300	1.2
358.15591	1.6
359.16382	0.8
360.17209	3.6
361.17844	1.4
369.14621	0.9
372.13287	0.8
372.17157	4.1
373.17938	1.1
374.14932	2.6
374.18912	1.9
375.15280	0.8
378.12180	0.8
384.13474	1.2
386.15002	1.9
387.15640	1.5
388.16653	3.0
389.17319	1.4
390.18213	1.3
398.14719	0.8
400.16544	1.8
402.18539	3.8
403.19000	0.7
404.16034	0.7
406.17731	2.1
412.16516	0.7
414.18326	8.7
415.18845	2.5
418.17828	5.6
419.18060	1.2
429.16919	1.4
430.17609	2.0
431.18411	0.8
432.19559	3.8
433.20145	1.4
434.17105	1.3
436.18707	1.4
440.16144	0.9
441.16666	0.8
446.16849	1.2
447.17865	2.0
448.18420	0.7
457.22745	0.9
458.16931	4.5
459.17899	7.4
460.18695	2.3
469.22345	2.2
472.18863	1.1
476.18262	8.2
477.18967	7.5
478.19510	1.6
487.23529	1.4
490.19931	4.7
491.19928	1.1
496.21069	0.8
499.23529	1.2
508.20935	22.2
508.28534	1.2
509.21121	3.9
511.23157	3.8
515.22369	0.8
519.19586	0.6
529.24622	2.0
532.20953	2.1
537.21655	1.2
550.21680	2.8
555.22754	5.1
556.22516	1.3
571.25458	0.9
573.23608	13.4
574.23840	2.7
575.25323	1.0
587.25031	7.7
588.25555	1.9
597.23700	2.9
598.24170	0.9
605.26184	100.0
606.26471	19.6
609.14703	1.8
615.24872	9.1
616.25092	1.8
629.26318	6.4
630.26898	1.4
633.25732	17.3
634.26007	3.0
635.27271	1.4
647.27356	65.9
648.27710	16.3
665.28387	73.5
666.28717	17.6
671.27661	0.9
689.28387	9.4
690.28827	3.0
707.29608	8.2
708.29773	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	825.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67720	0.5
59.01378	0.8
61.98828	2.9
63.96244	2.6
69.03458	1.1
71.01396	9.5
71.12512	1.6
72.91897	0.5
72.99341	0.7
73.02959	2.3
78.95920	1.6
78.98601	8.7
79.95744	14.9
79.96183	0.9
80.96527	100.0
81.03448	1.2
85.02958	4.4
85.07399	0.5
87.00889	3.3
94.98103	21.6
95.01418	1.1
96.96038	2.2
97.02958	2.1
99.00874	0.9
101.02457	2.6
106.24405	0.6
106.98083	3.2
113.02445	0.6
122.97611	4.9
125.02460	4.4
134.97621	7.0
136.99164	2.2
146.97604	0.6
148.99165	7.2
152.78706	0.7
152.98653	8.4
164.98665	17.0
167.00201	0.7
206.99696	3.6
209.11868	1.5
225.00772	27.1
226.01062	1.2
283.26462	2.2
509.17444	0.7
541.19995	2.7
542.19800	0.7
565.30371	1.2
619.21942	0.7
793.44891	0.9
807.42371	1.6
825.46936	96.5
826.47302	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	825.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.4
59.01380	1.9
61.98831	100.0
71.01369	1.6
72.08292	0.3
73.02952	1.0
75.32465	0.3
81.43809	0.3
83.01379	0.4
83.05051	0.6
85.02959	1.0
88.98823	0.7
89.02463	0.8
98.19830	0.8
101.02462	0.5
108.31831	0.4
109.06655	0.4
111.08179	6.1
113.02443	0.7
123.38545	0.3
125.02433	0.4
125.09724	0.4
127.07670	1.0
148.92433	0.3
151.11285	0.4
153.12866	0.4
161.02419	0.4
169.12395	1.9
181.12282	0.5
183.13864	0.6
197.11839	28.0
198.12172	1.5
199.13412	1.1
203.60808	0.3
209.11938	1.8
211.13422	3.8
212.13730	0.5
214.80066	0.3
221.11855	0.4
225.14847	0.7
226.21912	0.3
227.12953	0.9
229.64862	0.3
230.09102	0.4
263.20132	2.1
265.18188	0.7
273.18845	0.4
291.19653	6.5
292.20013	0.4
293.21353	0.5
309.20712	59.2
310.21063	5.4
397.60925	0.4
455.35333	0.5
515.33746	74.1
516.34094	12.6
765.47363	3.1
766.47937	0.9
825.42133	2.3
826.42999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.0
59.01382	37.4
60.01736	0.2
60.27562	0.2
60.99301	0.3
61.98835	7.2
62.71468	0.2
67.01897	0.2
67.99149	0.2
69.03460	0.4
71.01389	13.4
72.15814	0.2
72.99315	3.9
73.02956	5.4
75.00867	0.5
81.03459	0.3
83.01398	4.0
83.05026	0.4
85.02962	12.6
86.00094	1.5
86.03316	0.4
87.00902	0.9
87.04544	0.5
88.98841	0.4
89.02457	4.3
95.01409	0.5
97.02979	0.5
98.19802	0.3
99.00906	1.0
99.04501	0.4
101.02460	19.4
102.02822	0.3
103.04022	2.4
108.04724	0.2
111.00934	0.3
112.01705	0.3
113.02454	1.5
115.04036	0.3
116.92879	1.0
119.03532	0.7
125.02487	0.9
127.03990	0.3
131.03525	17.2
132.03822	0.4
136.07733	0.2
143.03542	0.2
145.05110	0.2
161.02461	0.5
163.06178	0.5
175.04034	0.3
177.01936	0.4
229.66982	0.3
289.94885	0.2
485.61862	0.3
515.06238	0.2
619.38739	2.5
620.38470	0.2
627.28210	0.4
635.40601	0.3
663.37079	0.6
735.01489	0.2
735.61475	0.2
765.44629	100.0
766.44983	26.2
825.40662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01121	0.8
59.01384	6.6
61.98826	1.3
70.48125	2.0
71.01395	4.2
71.81028	0.5
72.99323	0.6
73.02943	3.9
75.00853	0.4
77.52851	0.5
83.01395	2.0
83.78143	0.4
85.02958	0.7
89.02463	0.7
94.02999	1.3
94.06625	0.6
95.01392	0.5
95.05045	0.6
96.04545	0.5
99.00886	0.5
101.02456	1.5
108.04583	1.1
110.06126	1.9
111.00860	0.5
113.02492	1.1
120.08198	0.7
122.06155	5.6
124.04057	3.2
130.06683	0.9
136.04079	2.6
137.04816	0.7
138.05643	2.0
142.06642	11.6
143.06990	1.4
144.04558	1.5
146.06145	0.6
147.04581	0.6
150.05644	2.4
150.06624	0.5
158.06091	1.6
160.04054	1.0
161.02443	1.6
161.04765	1.9
161.07172	0.8
162.05623	1.1
165.05559	0.8
168.06668	1.2
174.05603	2.9
175.05138	1.0
179.05820	0.5
186.05609	4.4
187.06201	0.7
187.08736	0.5
188.03355	0.5
189.06729	1.5
193.03798	0.7
201.10335	6.1
203.05885	2.5
203.08206	0.7
203.11919	0.9
204.06645	7.4
205.07042	1.2
207.06813	0.5
211.08716	0.5
213.10371	2.7
215.11885	1.9
225.10335	0.8
227.11864	1.7
229.09837	7.4
229.13387	3.1
230.11858	0.6
237.10239	1.0
239.11894	2.7
241.09857	1.5
243.11415	0.9
246.07738	5.0
247.08244	0.9
247.10870	2.1
253.09962	0.6
255.11354	2.6
256.11826	0.7
257.12811	2.1
259.10968	0.7
263.08182	0.7
265.09869	1.1
267.11398	1.7
269.09308	0.5
271.10736	0.9
273.12463	2.9
277.09781	0.8
279.11493	0.8
281.09326	1.1
281.12915	0.4
282.09882	0.5
283.10822	3.2
284.11298	0.6
285.12451	0.5
289.11978	1.7
291.11301	1.5
301.11969	10.7
302.12341	1.3
305.11407	1.8
309.12476	0.5
311.10367	0.6
313.11902	0.7
316.14600	0.7
317.11429	0.7
318.12469	0.8
319.13019	36.3
320.13431	3.9
323.12595	1.2
325.11880	1.2
327.13547	2.0
330.12341	0.6
331.13098	0.9
342.12357	1.0
343.12982	3.7
344.13995	1.5
345.14920	0.5
346.15625	0.5
356.10178	0.6
357.11127	0.6
359.12622	1.1
360.13419	0.9
361.14035	5.8
361.18002	0.8
362.14572	1.3
363.15900	2.1
364.16473	0.6
365.13419	0.6
370.15784	0.7
371.12460	1.1
372.13525	2.7
372.17538	0.5
373.14008	0.6
374.15054	0.7
376.16989	0.8
378.18567	0.6
379.18832	0.9
384.17618	0.9
385.14404	0.7
386.11035	0.5
386.15125	2.1
387.15848	1.1
388.16455	1.7
389.16983	0.5
390.14517	1.5
391.15170	1.0
400.16904	0.8
403.15271	0.8
404.16098	5.2
405.16550	1.8
406.17572	1.1
412.17279	0.6
414.14600	1.5
416.16089	1.2
417.17142	1.1
418.14087	1.9
419.14166	0.8
419.19135	0.8
421.15945	0.6
428.16141	1.1
429.16806	1.7
431.14789	1.5
432.15567	5.0
433.15982	0.7
437.15891	2.2
444.15994	0.6
445.15976	2.7
446.16879	3.1
447.18033	2.7
448.18454	0.6
450.16605	1.0
472.14822	0.8
473.15945	0.6
473.22174	0.6
485.21964	0.6
509.22211	0.8
519.26007	0.7
527.23096	2.8
528.23553	0.6
541.23364	0.5
545.23950	2.2
553.20972	0.7
569.24353	1.9
570.24689	0.9
583.21960	0.6
587.25171	7.2
588.25256	1.1
591.24414	1.3
595.21790	2.1
603.24622	0.6
613.23169	8.3
614.23798	1.7
619.26678	0.6
631.24274	28.6
632.24658	6.0
633.25690	0.7
637.23199	0.6
645.25665	7.9
646.25909	1.5
655.24384	1.5
663.26819	100.0
664.27142	23.5
673.25110	1.7
687.26709	1.0
705.28033	32.5
706.28485	9.8
735.29187	1.7
765.30792	3.0
766.30780	1.2
793.28516	0.6
825.31274	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	824.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.6
61.98835	11.7
64.32764	1.0
67.60077	1.1
69.03448	1.9
71.01388	3.6
75.00890	1.8
78.95914	7.6
80.02695	2.6
81.03465	6.3
83.01377	9.3
83.05046	3.3
83.75909	1.1
85.02997	1.7
88.98830	1.7
95.05046	3.2
95.42636	1.1
97.02979	3.8
97.06596	8.3
98.20756	2.6
101.02498	1.2
109.06646	2.3
113.02476	1.2
115.17637	1.3
121.06607	2.7
123.04543	9.3
123.08221	3.2
125.02490	1.7
125.09737	14.6
135.08218	2.8
137.09750	7.9
139.68178	1.1
141.12906	1.6
142.02699	1.4
152.99586	1.4
160.08876	1.2
161.09767	1.7
162.10486	1.2
163.11293	13.2
165.09271	1.5
165.12883	3.9
167.10834	1.9
168.04364	1.7
171.10275	1.7
174.10556	1.2
177.12885	2.3
179.10793	2.1
180.57877	1.2
181.12347	3.3
185.11826	12.6
191.10794	4.3
191.14412	13.7
192.14778	1.7
195.14055	1.2
197.11967	1.6
207.10266	9.5
209.11844	81.1
210.12152	7.2
211.13501	2.7
223.13446	2.0
225.11340	6.7
242.08035	3.6
245.19095	30.6
246.19475	4.1
253.09575	1.2
261.18881	1.1
263.20172	2.2
271.17010	4.3
277.19250	1.1
277.21725	85.1
278.22064	8.7
289.18094	96.9
290.18381	8.7
294.88156	1.4
307.19150	100.0
308.19568	10.6
315.77924	1.4
351.00351	1.4
502.29401	43.3
503.29788	7.8
515.33734	4.4
516.34253	7.0
517.31982	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	823.487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.6
59.01382	10.4
61.98836	70.3
63.99271	0.6
69.03470	0.8
71.01390	13.7
72.01744	0.5
72.99335	1.4
73.02963	4.5
73.07088	0.5
80.96545	0.7
83.01411	2.4
85.02959	7.7
85.70913	0.6
86.00072	0.5
87.00894	0.9
87.04498	0.6
89.02461	2.0
95.01396	0.9
95.91592	0.5
97.02977	1.1
98.19872	1.7
99.00883	1.4
100.40010	0.5
101.02460	8.1
102.02737	0.6
103.44942	0.5
103.60902	0.5
104.59451	0.5
111.00879	0.6
113.02477	4.3
143.03484	1.1
159.02933	0.6
161.04604	1.4
162.77852	0.5
192.96893	0.5
197.11807	1.2
209.11859	8.0
211.13297	0.7
212.04163	0.6
227.12859	2.1
235.08174	0.7
253.09326	1.2
259.68179	0.5
291.19617	1.9
309.20770	5.5
310.20880	0.6
400.25629	0.6
445.20596	1.0
455.35361	22.7
456.35742	3.7
599.39435	2.1
617.41138	4.3
762.45453	0.8
763.46667	100.0
764.47046	19.8
823.42230	6.8
824.42725	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	823.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.5
58.77755	0.3
59.01381	11.6
61.98835	8.6
61.99088	0.2
63.99264	0.4
68.31104	0.3
69.03486	0.4
71.01388	15.5
72.99319	1.7
73.02954	5.5
78.43942	0.2
80.15885	0.3
83.01404	2.5
85.02958	9.2
86.00106	0.8
87.00884	2.0
87.04520	0.6
89.02456	2.1
95.00869	0.3
95.01416	1.5
97.02975	0.6
99.00902	2.8
101.01782	0.5
101.02454	9.3
103.04028	0.6
113.02473	6.0
114.49544	0.3
115.04052	0.4
119.03528	0.5
125.02470	0.6
131.03529	0.6
143.03552	0.5
150.90640	0.3
159.03032	0.8
161.04594	1.4
169.83136	0.3
171.10277	0.3
201.11281	0.4
207.10466	0.4
209.11809	0.5
225.11433	0.5
289.18250	0.4
307.19193	0.4
309.20609	0.3
429.03107	0.3
455.35297	45.1
456.35516	7.1
513.36133	0.6
599.39539	3.6
600.40002	0.6
617.40765	5.3
618.40869	0.7
692.60852	0.3
763.46680	100.0
764.46991	25.6
823.39355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.6
61.98832	100.0
63.99273	1.9
71.01389	15.6
73.02942	4.6
77.76379	1.3
83.01383	2.7
85.02970	7.3
88.98804	1.4
89.02466	4.6
95.01376	1.4
97.02956	1.3
99.00906	1.5
101.02459	9.1
108.14089	1.1
113.02451	6.5
114.44402	1.1
116.92952	2.3
119.03445	2.0
143.03551	1.8
150.35995	1.1
161.04591	1.8
171.10175	1.8
179.05579	1.7
197.11821	3.6
209.11839	33.6
210.12155	1.9
211.13330	2.0
227.12967	7.0
253.09294	4.4
282.95624	1.2
291.19583	7.1
309.20703	18.3
322.78705	1.4
445.20700	3.5
455.35342	19.2
456.35458	2.2
527.28864	2.3
545.29370	2.7
560.17969	1.4
599.39087	1.7
617.41107	1.8
763.46582	86.1
764.46893	19.9
823.42499	25.5
824.42645	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	823.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.4
61.98834	100.0
62.46151	0.4
71.01392	4.6
71.71800	0.7
72.99308	0.5
73.02962	2.3
75.00875	0.5
76.50031	0.5
81.03458	3.0
81.49590	0.4
83.01407	2.0
83.05037	7.3
85.02953	2.3
87.00887	1.3
87.67960	0.4
88.98832	1.5
89.02467	1.5
92.05052	0.8
93.03474	0.5
94.06638	1.2
95.01422	0.6
99.00910	1.3
100.07700	1.0
101.02444	2.3
106.06595	0.7
107.03799	0.9
109.02971	0.5
110.06139	2.5
111.00932	0.8
113.02472	2.1
116.92880	0.8
119.03571	0.6
119.05068	1.4
120.04576	0.6
120.08192	0.8
121.03022	1.0
121.05347	1.2
122.06141	14.7
125.02480	1.1
129.05626	1.4
131.03506	0.5
132.08089	0.5
133.02994	1.1
134.03806	0.6
134.06134	4.8
135.04530	1.2
136.01701	0.5
136.07719	0.7
137.02390	0.6
142.06651	1.0
144.04573	1.5
146.06116	0.8
147.04544	0.6
147.06689	0.7
149.02510	1.0
150.03183	1.3
151.00392	0.5
152.01215	0.5
160.04056	0.9
160.06442	1.7
160.07663	0.5
161.02518	3.0
161.04720	1.5
162.05576	1.0
163.04039	0.6
165.02000	0.6
165.05566	2.3
167.03525	0.7
170.53270	0.5
174.05634	3.6
175.02499	0.8
175.03984	0.9
179.03546	0.8
179.05566	0.5
180.04187	0.5
180.06645	1.4
181.05064	0.6
186.05563	1.2
187.07735	0.5
188.03633	0.7
188.07188	1.0
189.07675	0.8
191.03526	0.6
191.07170	0.5
193.05110	0.6
195.06609	1.0
199.18198	1.4
201.10384	0.7
203.05952	1.8
203.11925	0.8
204.06595	1.6
205.05182	0.4
211.08815	0.7
213.10353	10.4
215.11923	1.7
223.08846	1.1
225.10286	1.1
225.16115	0.9
226.11197	1.3
227.11925	0.7
231.02737	0.5
237.10234	0.5
239.11909	9.0
240.12492	1.1
241.13499	5.8
243.17239	3.0
247.08931	0.5
248.09517	0.5
249.10266	1.0
251.08302	1.3
251.11887	2.9
252.12418	0.5
263.08237	1.7
263.11844	1.7
264.09024	3.3
265.09775	3.1
265.12509	0.5
266.10583	0.6
267.11398	4.8
269.08884	0.5
270.04929	0.5
276.09009	1.7
277.09805	2.2
278.10559	0.8
279.08136	1.0
279.11404	5.2
280.08746	0.7
280.12073	1.1
281.09460	1.0
281.12823	0.9
283.10913	2.7
285.12457	28.1
286.12863	2.8
289.09711	0.6
290.10638	1.2
291.07736	2.4
291.11383	4.3
292.08557	5.5
293.09238	3.2
293.12946	3.5
294.09979	0.6
294.13318	0.6
295.10938	1.0
297.12122	0.7
298.09680	0.7
303.11404	0.7
305.09476	0.8
306.10080	2.8
307.10883	13.8
308.11389	3.8
309.12183	1.0
311.10358	1.2
312.11072	0.7
313.07462	0.6
313.11801	0.7
315.13895	0.6
317.09317	0.6
319.10553	0.8
321.12381	0.8
322.13181	0.8
327.13385	2.8
328.10855	1.1
328.14304	1.0
329.15353	2.7
330.16306	1.1
333.08749	2.4
335.10449	1.3
337.07803	0.6
339.13672	0.6
340.10696	2.1
342.12387	0.8
343.13150	2.0
344.13901	1.0
344.17639	1.2
345.18497	0.9
346.18890	0.7
350.09125	4.2
351.09827	13.1
352.10388	2.3
353.20905	0.8
354.12244	0.8
354.16144	1.4
355.13361	0.7
356.14105	3.4
357.14581	1.7
365.11429	2.1
366.12039	0.9
368.17844	1.1
370.15637	5.4
371.16266	1.1
372.17151	2.5
382.11597	1.1
383.12466	1.2
384.13364	2.0
384.17526	1.1
385.14267	0.9
396.13437	1.6
397.14273	1.8
398.15131	6.5
398.83380	0.5
399.15497	0.9
400.16818	0.9
403.15375	2.0
404.15759	0.7
411.15677	1.9
412.16644	5.3
413.17459	5.0
414.14005	0.8
414.18771	0.6
416.16016	1.1
418.18042	0.8
428.16428	0.7
429.17203	1.2
430.17755	2.6
438.15060	0.6
440.15930	0.6
444.19342	1.0
445.16098	0.6
446.17490	0.7
447.18256	1.1
448.19113	2.3
456.15332	0.8
457.16464	0.8
458.17328	0.6
462.20715	0.9
469.33786	2.2
473.15692	0.7
474.16458	1.5
481.21887	0.7
488.18582	0.9
491.17053	2.0
491.23779	0.5
492.17487	3.2
493.22940	2.2
506.19055	3.5
507.19821	0.7
511.23291	1.1
520.20752	2.3
524.20221	0.8
535.23383	3.0
536.23596	0.6
537.21179	0.5
538.21918	16.8
539.22473	3.0
553.24426	9.4
554.24805	1.5
556.23035	0.7
557.22760	1.1
557.29901	2.0
561.21460	1.4
562.21851	2.3
567.25891	0.7
579.22388	5.3
579.37378	0.7
580.22986	4.7
585.27191	1.6
597.23608	18.3
598.24121	4.4
611.25275	8.1
612.25409	1.9
621.24634	1.1
629.26318	62.6
630.26685	13.6
639.24683	1.6
643.27692	2.8
653.26141	1.7
661.28906	55.5
662.29205	12.1
671.27277	19.3
672.27734	5.3
695.50769	0.7
700.27515	1.1
701.28326	0.7
703.30212	6.7
704.31128	2.2
823.31372	0.9
823.55658	18.5
824.56458	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	821.5962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	7.8
63.99252	0.6
71.01385	0.2
73.25607	0.2
73.78075	0.2
78.95927	0.2
80.96510	0.8
82.96102	0.4
84.50023	0.2
96.96022	1.3
119.72458	0.2
120.15116	0.2
169.78943	0.2
205.12447	0.2
218.36618	0.2
223.13326	0.2
229.36446	0.2
249.26114	0.2
253.09392	0.3
277.21683	0.4
292.19977	0.2
293.21082	0.5
294.21536	0.2
309.20789	0.3
469.33224	100.0
470.33578	17.2
666.60559	0.2
680.96259	0.2
758.84296	0.2
821.42548	1.2
844.50684	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.4
61.98834	100.0
62.46151	0.4
71.01392	4.6
71.71800	0.7
72.99308	0.5
73.02962	2.3
75.00875	0.5
76.50031	0.5
81.03458	3.0
81.49590	0.4
83.01407	2.0
83.05037	7.3
85.02953	2.3
87.00887	1.3
87.67960	0.4
88.98832	1.5
89.02467	1.5
92.05052	0.8
93.03474	0.5
94.06638	1.2
95.01422	0.6
99.00910	1.3
100.07700	1.0
101.02444	2.3
106.06595	0.7
107.03799	0.9
109.02971	0.5
110.06139	2.5
111.00932	0.8
113.02472	2.1
116.92880	0.8
119.03571	0.6
119.05068	1.4
120.04576	0.6
120.08192	0.8
121.03022	1.0
121.05347	1.2
122.06141	14.7
125.02480	1.1
129.05626	1.4
131.03506	0.5
132.08089	0.5
133.02994	1.1
134.03806	0.6
134.06134	4.8
135.04530	1.2
136.01701	0.5
136.07719	0.7
137.02390	0.6
142.06651	1.0
144.04573	1.5
146.06116	0.8
147.04544	0.6
147.06689	0.7
149.02510	1.0
150.03183	1.3
151.00392	0.5
152.01215	0.5
160.04056	0.9
160.06442	1.7
160.07663	0.5
161.02518	3.0
161.04720	1.5
162.05576	1.0
163.04039	0.6
165.02000	0.6
165.05566	2.3
167.03525	0.7
170.53270	0.5
174.05634	3.6
175.02499	0.8
175.03984	0.9
179.03546	0.8
179.05566	0.5
180.04187	0.5
180.06645	1.4
181.05064	0.6
186.05563	1.2
187.07735	0.5
188.03633	0.7
188.07188	1.0
189.07675	0.8
191.03526	0.6
191.07170	0.5
193.05110	0.6
195.06609	1.0
199.18198	1.4
201.10384	0.7
203.05952	1.8
203.11925	0.8
204.06595	1.6
205.05182	0.4
211.08815	0.7
213.10353	10.4
215.11923	1.7
223.08846	1.1
225.10286	1.1
225.16115	0.9
226.11197	1.3
227.11925	0.7
231.02737	0.5
237.10234	0.5
239.11909	9.0
240.12492	1.1
241.13499	5.8
243.17239	3.0
247.08931	0.5
248.09517	0.5
249.10266	1.0
251.08302	1.3
251.11887	2.9
252.12418	0.5
263.08237	1.7
263.11844	1.7
264.09024	3.3
265.09775	3.1
265.12509	0.5
266.10583	0.6
267.11398	4.8
269.08884	0.5
270.04929	0.5
276.09009	1.7
277.09805	2.2
278.10559	0.8
279.08136	1.0
279.11404	5.2
280.08746	0.7
280.12073	1.1
281.09460	1.0
281.12823	0.9
283.10913	2.7
285.12457	28.1
286.12863	2.8
289.09711	0.6
290.10638	1.2
291.07736	2.4
291.11383	4.3
292.08557	5.5
293.09238	3.2
293.12946	3.5
294.09979	0.6
294.13318	0.6
295.10938	1.0
297.12122	0.7
298.09680	0.7
303.11404	0.7
305.09476	0.8
306.10080	2.8
307.10883	13.8
308.11389	3.8
309.12183	1.0
311.10358	1.2
312.11072	0.7
313.07462	0.6
313.11801	0.7
315.13895	0.6
317.09317	0.6
319.10553	0.8
321.12381	0.8
322.13181	0.8
327.13385	2.8
328.10855	1.1
328.14304	1.0
329.15353	2.7
330.16306	1.1
333.08749	2.4
335.10449	1.3
337.07803	0.6
339.13672	0.6
340.10696	2.1
342.12387	0.8
343.13150	2.0
344.13901	1.0
344.17639	1.2
345.18497	0.9
346.18890	0.7
350.09125	4.2
351.09827	13.1
352.10388	2.3
353.20905	0.8
354.12244	0.8
354.16144	1.4
355.13361	0.7
356.14105	3.4
357.14581	1.7
365.11429	2.1
366.12039	0.9
368.17844	1.1
370.15637	5.4
371.16266	1.1
372.17151	2.5
382.11597	1.1
383.12466	1.2
384.13364	2.0
384.17526	1.1
385.14267	0.9
396.13437	1.6
397.14273	1.8
398.15131	6.5
398.83380	0.5
399.15497	0.9
400.16818	0.9
403.15375	2.0
404.15759	0.7
411.15677	1.9
412.16644	5.3
413.17459	5.0
414.14005	0.8
414.18771	0.6
416.16016	1.1
418.18042	0.8
428.16428	0.7
429.17203	1.2
430.17755	2.6
438.15060	0.6
440.15930	0.6
444.19342	1.0
445.16098	0.6
446.17490	0.7
447.18256	1.1
448.19113	2.3
456.15332	0.8
457.16464	0.8
458.17328	0.6
462.20715	0.9
469.33786	2.2
473.15692	0.7
474.16458	1.5
481.21887	0.7
488.18582	0.9
491.17053	2.0
491.23779	0.5
492.17487	3.2
493.22940	2.2
506.19055	3.5
507.19821	0.7
511.23291	1.1
520.20752	2.3
524.20221	0.8
535.23383	3.0
536.23596	0.6
537.21179	0.5
538.21918	16.8
539.22473	3.0
553.24426	9.4
554.24805	1.5
556.23035	0.7
557.22760	1.1
557.29901	2.0
561.21460	1.4
562.21851	2.3
567.25891	0.7
579.22388	5.3
579.37378	0.7
580.22986	4.7
585.27191	1.6
597.23608	18.3
598.24121	4.4
611.25275	8.1
612.25409	1.9
621.24634	1.1
629.26318	62.6
630.26685	13.6
639.24683	1.6
643.27692	2.8
653.26141	1.7
661.28906	55.5
662.29205	12.1
671.27277	19.3
672.27734	5.3
695.50769	0.7
700.27515	1.1
701.28326	0.7
703.30212	6.7
704.31128	2.2
823.31372	0.9
823.55658	18.5
824.56458	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	821.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
61.98835	100.0
65.34457	0.7
70.55068	3.0
71.01382	2.3
78.95921	1.0
80.98583	0.7
83.05093	0.9
85.02938	0.9
101.02444	0.8
101.10972	0.7
125.02512	1.0
143.99275	1.2
145.05099	2.4
209.11841	6.8
210.39458	0.8
227.12941	1.7
268.16299	0.7
289.18182	3.0
304.41943	0.9
307.19229	2.1
767.25305	0.9
821.41119	6.0
822.41248	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	821.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
59.01380	5.5
60.10878	0.3
61.98834	17.2
66.78743	0.3
69.03433	1.3
71.01385	5.0
71.71269	0.6
73.02944	0.7
78.91875	0.4
79.15697	0.3
80.91680	1.5
80.96509	0.8
81.03430	0.4
83.01387	0.6
83.05023	0.7
85.02948	1.2
87.00854	1.1
89.02442	3.5
95.01409	0.6
95.05047	0.8
97.02969	4.2
97.06601	0.5
101.02454	4.7
108.98438	0.3
109.06637	0.4
111.08179	1.6
113.02457	2.9
119.03497	0.8
119.08695	0.5
121.10258	0.7
123.08183	0.5
125.06151	0.4
125.09721	0.9
131.03421	0.4
135.08144	0.4
137.09737	1.2
145.05154	0.4
153.12921	0.4
161.04546	2.6
163.11305	0.8
165.12842	3.3
169.12376	1.1
171.10291	5.1
171.11676	0.6
177.12872	0.6
179.05615	0.4
179.14429	1.2
181.12334	1.5
183.13896	1.0
191.14378	0.4
193.12425	0.6
193.16032	0.5
195.13914	8.6
196.14453	0.8
197.11850	7.9
198.12186	0.6
199.13428	0.6
200.36427	0.4
205.12285	0.6
205.15990	0.4
207.10242	0.3
209.11835	1.8
211.13402	3.9
223.13416	6.3
224.13802	0.7
227.12895	2.7
228.13593	0.5
235.08257	2.7
247.20702	2.1
249.15036	0.5
253.09283	28.0
254.09621	1.6
256.13116	1.2
260.62164	0.4
263.20129	0.7
265.21655	0.4
273.18686	1.4
275.20193	8.3
291.19662	30.8
292.19968	3.2
293.21225	100.0
294.21579	10.4
309.20724	65.3
310.21082	6.2
396.12024	0.4
447.37448	0.4
496.50278	0.4
529.30353	1.3
545.29565	1.8
564.02148	0.4
585.41583	3.1
586.41956	1.0
821.42352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98833	100.0
62.66473	0.1
62.98523	0.3
63.37286	0.1
63.99271	0.6
63.99567	0.1
71.01402	0.4
73.02942	0.1
78.08501	0.1
80.96519	0.2
85.02972	0.2
101.02484	0.2
104.51276	0.1
111.00879	0.1
116.92925	0.1
125.02438	0.2
160.14360	0.1
209.11868	0.4
211.13451	0.3
276.06158	0.1
453.33871	0.1
462.21902	0.1
606.22272	0.1
633.99896	0.1
645.30585	0.1
761.45453	0.1
785.40710	0.6
793.31348	0.1
821.38770	0.4
829.40326	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	820.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27515	0.1
61.98834	100.0
62.98535	0.2
63.99260	0.1
67.30250	0.1
68.06754	0.1
71.70966	0.3
76.70448	0.1
78.91885	0.6
79.95741	0.1
80.96515	0.1
89.46026	0.1
104.73193	0.1
112.23612	0.1
113.80212	0.1
181.21390	0.1
237.92635	0.1
238.24696	0.1
293.21481	0.1
538.61261	0.2
731.36786	0.2
820.38470	0.1
821.40979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98830	100.0
62.05856	0.1
62.98534	0.2
62.99253	0.1
64.51053	0.0
71.01382	0.2
79.95721	0.0
80.96531	0.1
83.05029	0.0
88.98862	0.1
89.02464	0.1
97.06596	0.0
101.02438	0.1
109.06593	0.0
113.02454	0.1
116.92879	0.1
125.02486	0.0
126.85569	0.0
162.28470	0.0
163.11354	0.1
171.10274	0.1
187.89761	0.0
207.10387	0.2
209.11859	0.4
210.12245	0.1
211.13397	0.3
212.13701	0.1
225.11452	0.1
227.13031	0.1
235.08220	0.1
253.09433	0.1
299.56815	0.0
309.20813	0.1
397.13474	0.1
636.47369	0.1
720.14221	0.0
800.37958	0.1
818.37549	0.3
819.39557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
61.98832	100.0
62.98539	0.1
65.84571	0.1
70.58652	0.1
70.59045	0.1
71.01421	0.1
80.96540	0.2
88.31120	0.0
101.52116	0.1
127.26949	0.1
164.98730	0.1
177.80881	0.0
190.80333	0.1
193.32208	0.1
209.11848	0.2
210.12178	0.1
211.12334	0.1
245.19193	0.1
253.09279	0.1
277.21594	0.1
278.22153	0.2
289.18182	0.2
293.21295	0.2
307.19235	0.2
408.42340	0.1
577.29468	0.1
649.74878	0.1
650.91034	0.1
712.00726	0.1
782.30450	0.1
819.42883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77685	0.1
61.98835	100.0
62.98532	0.2
71.19175	0.2
75.00896	0.1
78.91904	0.1
82.69904	0.1
96.32892	0.1
127.95663	0.1
198.54117	0.1
209.11945	0.1
211.13420	0.1
289.18143	0.1
291.19839	0.2
294.21814	0.1
371.52811	0.1
407.64023	0.1
730.47992	0.1
754.17902	0.1
787.18646	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	820.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37391	0.1
57.90123	0.1
58.00587	0.1
59.01111	0.2
59.01378	6.1
65.80280	0.1
66.90730	0.2
71.01395	0.3
72.99321	2.2
73.02987	0.1
75.00893	0.2
82.45780	0.2
87.52074	0.1
89.02473	0.3
99.00903	0.2
101.02502	0.2
103.13154	0.1
111.00868	0.2
113.99612	0.7
115.00407	0.6
116.05090	3.4
117.05430	0.2
128.05074	1.2
130.06667	1.4
132.04596	0.4
133.81107	0.2
135.53156	0.1
142.06650	100.0
143.06993	6.1
144.04593	0.4
147.04503	0.2
155.99513	0.2
156.00694	2.3
158.06142	11.1
159.06488	0.6
161.02481	0.2
165.05598	0.3
172.04037	0.2
174.01726	4.2
175.02371	0.3
186.05627	43.3
187.05969	2.8
204.06677	68.4
205.07007	4.7
205.08966	0.2
207.06735	0.2
239.45299	0.1
246.07715	57.4
247.08064	4.4
286.90472	0.1
287.84808	0.2
358.57318	0.1
396.59039	0.2
414.91879	0.2
425.99014	0.2
429.20770	0.2
469.20801	0.6
501.02023	0.1
513.38477	0.2
554.02026	0.2
580.94568	0.1
735.71185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.98834	100.0
62.98542	0.2
62.99258	0.1
69.27792	0.0
70.86259	0.2
71.01418	0.1
75.12045	0.0
80.96548	0.1
101.02493	0.1
116.24084	0.1
116.52856	0.0
116.92896	0.1
119.58453	0.1
142.15187	0.0
161.37723	0.0
171.10417	0.0
185.12045	0.0
197.11874	0.1
199.75235	0.0
201.11304	0.1
209.11861	0.3
210.12210	0.1
211.13440	0.2
227.12914	0.1
293.21381	0.1
310.21225	0.1
400.35062	0.1
818.48340	0.1
819.53876	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	817.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
60.94080	0.9
61.98513	1.8
61.98833	35.2
71.01380	7.8
71.48222	1.2
73.02948	2.8
80.05048	2.0
83.01402	1.4
83.05017	1.2
85.02962	2.5
86.00345	0.8
87.00938	1.0
88.98837	0.9
89.02469	2.1
90.78245	0.8
92.41502	0.8
93.17052	0.8
96.96050	1.0
100.35825	0.8
101.02447	3.8
104.05064	1.2
106.06651	7.9
108.04565	12.9
113.02448	1.4
120.04592	0.8
121.05338	1.0
124.07706	5.6
125.02438	1.3
132.04543	3.3
134.06183	4.4
136.07700	13.7
143.03510	0.9
148.04085	1.2
150.05609	2.5
158.06073	1.6
160.04062	17.6
161.02414	1.2
161.04497	1.9
163.11232	1.2
165.05664	1.1
174.05583	0.8
175.03923	1.0
176.03511	1.7
186.02046	1.0
188.03560	2.3
189.04236	1.1
202.05107	2.6
204.03030	1.5
209.11888	11.6
210.08032	1.0
210.12219	0.8
211.08784	2.7
218.04594	9.0
221.10936	0.8
222.07990	1.4
223.08731	2.4
224.09433	1.1
225.10378	2.5
235.08676	2.6
236.05829	1.9
236.09390	0.9
237.10385	2.0
238.07410	1.4
239.08252	8.1
239.11853	1.4
241.09793	2.4
242.10548	1.4
248.09489	1.7
249.06743	1.0
249.07979	1.0
249.10324	9.6
250.07504	2.4
250.10669	1.2
251.08218	22.7
251.11954	1.9
252.09029	21.1
253.09796	21.3
254.10350	1.5
257.12943	43.5
258.13388	4.3
262.07388	1.4
263.05850	1.2
263.08282	7.7
265.06534	1.4
265.09769	14.5
266.07251	1.2
266.10428	1.9
267.07773	4.2
267.11353	16.8
268.11755	1.1
275.08252	1.6
276.08963	3.1
277.09824	21.5
277.12817	1.2
278.06970	9.9
278.10181	2.5
279.07745	37.5
280.08423	6.0
281.09290	1.9
281.12912	1.8
291.07791	1.8
292.08572	2.1
293.05960	1.9
293.09317	35.7
294.09753	4.3
295.10889	44.8
296.11227	3.9
303.07849	1.0
308.08044	1.2
311.10306	1.8
319.07346	1.4
319.10876	2.1
321.08810	83.0
322.09128	10.2
325.11868	3.7
337.08115	1.1
339.09863	38.0
340.10156	3.6
353.11383	3.7
354.11798	1.0
363.09778	3.6
379.12723	1.1
381.10754	1.7
397.13336	2.5
418.17755	3.1
436.12985	1.0
436.18811	15.3
437.18866	2.6
437.87689	0.9
446.15009	1.0
478.19894	4.5
479.20169	1.0
508.20938	1.3
511.23611	0.9
535.19800	2.0
537.21942	1.9
563.19397	1.8
577.20966	10.4
578.21350	1.7
579.22552	12.9
580.22913	3.7
605.20416	26.8
606.20837	5.6
623.21619	69.3
624.22015	17.3
629.83276	1.1
637.23218	8.1
638.24237	1.9
655.24194	100.0
656.24445	26.1
665.22723	7.4
666.23187	2.0
695.23822	3.5
696.24078	1.2
697.25415	14.5
698.25604	5.3
709.24323	1.3
725.24805	5.7
726.24701	1.1
727.26270	11.5
728.26935	4.2
757.27661	29.2
758.27716	8.8
785.26843	6.5
786.27704	2.6
817.29034	24.7
818.30066	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	817.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
61.98527	1.2
61.98834	20.1
70.87157	2.8
71.01386	5.9
73.02946	1.4
77.39323	0.7
78.19362	0.7
80.05041	2.4
81.52831	0.8
83.01380	0.9
85.02946	2.5
88.98810	1.0
89.02425	3.0
95.01415	0.9
96.85358	0.8
96.96024	1.7
97.02996	1.0
101.02445	3.1
104.05080	1.2
106.06643	7.9
108.04574	13.3
113.02418	1.5
120.04478	0.9
122.06074	2.0
124.07688	5.9
130.06557	0.9
132.04523	2.3
134.06111	3.5
136.07693	16.2
146.06125	1.5
148.04076	0.9
150.05548	2.5
152.58360	0.8
158.06075	1.5
160.04065	19.1
161.02428	0.8
161.04324	0.8
163.11256	1.1
174.05634	1.1
176.03537	1.3
186.01910	1.5
188.03525	2.5
189.04305	1.5
202.05067	2.3
204.02982	1.5
209.11798	2.9
211.08662	3.0
211.13341	2.5
218.04602	9.0
221.10667	0.9
223.08711	2.5
225.06664	1.5
225.10251	1.6
227.08400	1.0
227.11787	1.2
228.03017	0.9
234.07919	2.0
235.08524	2.0
236.05943	1.2
237.10358	1.8
238.07353	1.2
239.08278	5.8
239.11929	1.4
241.09750	2.2
249.06783	1.1
249.10320	9.0
250.07430	2.3
251.08247	22.3
251.11699	2.3
252.09015	23.6
253.09810	18.1
254.10208	1.9
255.11363	2.1
257.12939	50.1
258.13193	2.6
262.07422	1.5
263.08130	6.3
264.05502	1.4
264.08881	2.4
265.06409	1.2
265.09808	17.6
266.07056	0.9
266.10349	3.6
267.07739	4.1
267.11295	17.3
268.11667	1.5
275.08148	1.9
276.08917	3.8
277.06543	1.3
277.09790	22.2
278.06891	10.6
278.10178	2.3
279.07724	40.2
280.08374	8.7
281.09317	1.7
281.12943	2.2
291.07635	1.6
292.08359	2.2
293.09335	40.7
294.09940	5.9
295.10889	43.9
296.11176	5.1
303.07642	1.2
311.10202	2.0
319.10745	3.0
321.08810	98.7
322.09140	10.2
325.12119	4.5
337.08340	1.1
339.09885	37.7
340.09906	3.8
353.11566	5.4
363.09863	4.8
381.10782	1.4
390.17850	1.0
416.15903	1.1
418.17612	2.6
436.18784	17.4
437.18951	2.5
478.19907	7.1
495.20828	1.1
508.21088	1.3
535.19635	2.5
538.21875	1.2
551.19293	1.5
561.20966	2.8
562.21100	1.1
563.19110	3.5
577.21063	9.6
578.21246	2.6
579.22607	13.6
580.22821	2.6
605.20441	27.9
606.20819	6.1
623.21606	68.0
624.12750	1.2
624.21967	14.3
637.23291	11.6
638.23218	2.4
647.21350	1.4
648.21265	1.0
655.24207	100.0
656.24469	25.9
665.22778	9.3
666.22424	1.6
695.23688	5.4
697.25470	19.9
698.25513	4.8
725.24799	6.1
726.24701	1.5
727.26465	13.2
728.26563	3.5
757.27576	34.1
758.28259	8.9
785.26801	9.1
786.27026	2.3
799.37756	3.4
807.68463	1.1
817.29358	27.8
818.29980	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	816.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98834	100.0
62.98535	0.2
71.01392	0.3
71.25821	0.1
71.26152	0.2
75.00867	0.1
78.95943	0.1
79.95737	0.1
80.96539	0.7
83.05046	0.1
85.02965	0.1
87.00860	0.1
88.98840	0.2
101.02470	0.2
116.92891	1.1
123.94378	0.1
125.02496	0.1
126.42748	0.1
138.83247	0.1
157.08479	0.1
161.04588	0.1
163.11301	0.2
164.98618	0.2
171.10324	0.1
182.22916	0.1
185.11922	0.1
197.11844	1.0
199.13463	0.2
207.10307	0.2
209.11855	1.1
210.12259	0.2
211.13402	0.4
225.00867	0.1
225.11438	0.1
227.12953	0.4
253.09335	0.2
289.18552	0.1
291.19687	0.2
292.20166	0.1
308.19522	0.1
309.20648	0.5
310.21191	0.2
311.22305	0.1
463.22379	0.1
487.53751	0.1
815.50775	0.2
816.49713	0.3
817.38788	0.2
840.00995	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.2
63.96262	1.2
69.03436	1.2
70.13725	3.5
71.01389	9.5
73.02944	2.3
78.98602	6.7
79.95745	17.4
80.96525	100.0
81.03468	1.1
85.02965	3.9
87.00887	4.2
90.17877	1.0
91.72337	1.0
94.98097	23.7
96.96017	2.7
97.02949	2.2
101.02462	2.9
106.98112	4.8
122.97592	4.9
125.02457	4.0
125.74294	0.9
134.97595	5.4
136.99133	1.2
148.99162	8.0
151.90462	1.0
152.98665	8.4
164.98631	14.9
206.99649	1.9
210.44298	0.9
225.00740	17.1
250.82288	1.0
255.23300	2.0
296.95554	1.0
537.27582	1.3
815.50140	61.8
816.50256	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	815.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01383	9.8
61.98836	2.5
68.99809	0.9
69.03477	0.7
69.68312	6.5
71.01385	16.1
72.99310	6.4
73.02982	1.4
75.00886	14.1
78.95925	5.1
79.95755	1.1
80.96532	3.9
85.02962	19.7
87.00896	7.2
89.02470	1.5
94.98104	1.3
95.01397	4.5
96.96977	1.7
97.06635	1.0
98.20511	1.6
99.00903	10.4
99.06866	0.7
99.92609	2.3
101.55639	0.9
103.00398	1.8
111.00977	1.0
112.96619	0.8
113.02462	13.0
114.02812	1.0
115.00410	2.1
115.92121	2.9
116.10683	0.8
116.92873	8.8
117.01947	1.6
129.01976	0.9
148.99174	0.9
152.99628	1.0
165.12891	0.8
167.14310	0.9
171.10281	9.5
175.02567	1.4
209.11884	3.5
210.12248	1.8
211.13461	3.6
225.00691	1.2
229.14545	1.9
241.01305	1.5
249.06204	1.4
255.23297	59.4
256.23553	6.8
327.21667	5.0
328.22000	1.1
377.16669	0.9
485.43304	0.9
815.52069	100.0
816.52454	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	816.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98833	100.0
62.98537	0.2
71.01395	0.3
71.71063	0.1
72.99332	0.1
75.85064	0.1
77.69703	0.1
79.95769	0.1
80.96502	0.4
83.05051	0.2
85.02961	0.1
87.00923	0.1
89.02458	0.2
94.98117	0.2
95.01446	0.1
95.05017	0.1
97.02988	0.1
99.92619	0.1
101.02474	0.3
109.06632	0.1
111.08189	0.1
113.02502	0.1
116.92873	1.0
117.02003	0.1
118.31046	0.1
125.09769	0.1
125.91122	0.1
161.04575	0.1
163.11311	0.2
165.12863	0.1
171.10321	0.3
181.12373	0.1
197.11833	1.0
198.12204	0.2
199.13506	0.1
201.11429	0.1
207.10359	0.2
209.11848	4.1
210.12178	1.1
211.13493	0.4
225.00870	0.1
225.11453	0.2
227.12961	0.7
228.13295	0.2
235.08318	0.2
253.09273	0.8
254.09683	0.1
291.19583	0.9
292.19992	0.5
309.20718	1.7
310.21109	1.1
311.22006	0.1
517.33014	0.1
546.29895	0.1
584.88153	0.1
756.42896	0.1
815.50079	0.1
816.50470	0.3
817.38556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00640	0.2
59.01381	4.1
59.89728	0.2
61.98837	1.6
69.03455	0.2
71.01383	3.3
73.02959	0.8
78.95913	2.8
79.95797	0.2
80.02693	0.9
80.96523	1.0
81.03463	1.1
83.01407	0.5
83.05038	3.8
84.02163	0.5
85.02966	0.6
87.00896	0.8
88.98825	1.4
89.02454	2.2
95.01424	0.3
95.05042	0.6
96.96997	0.4
97.03027	0.2
101.02448	2.6
104.68665	0.2
113.02472	0.9
119.03545	0.5
125.06087	0.5
133.05075	0.2
135.08180	0.5
140.92671	0.2
143.03558	0.3
145.05089	0.4
152.99643	0.5
161.04594	1.1
163.11304	2.8
165.12891	1.6
171.10281	1.0
179.05611	0.4
179.59717	0.3
181.12373	0.6
191.10788	0.6
207.10385	0.3
209.11841	100.0
210.12175	6.3
221.00638	0.2
223.00244	0.4
225.11447	0.4
227.12898	12.0
228.13214	0.5
233.22836	0.3
235.08218	3.5
241.01216	1.2
253.09285	7.8
255.23222	1.5
277.21722	74.2
278.22052	6.7
306.00830	0.2
307.24872	0.3
308.29849	0.2
427.19684	0.2
432.76080	0.2
445.20767	2.7
446.20914	0.4
463.21140	0.2
513.30469	1.5
514.30048	0.3
725.39026	0.7
779.39502	0.5
797.40930	2.1
798.41589	0.5
815.49506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
57.22871	0.3
58.97415	0.3
59.01379	4.7
61.98835	23.2
69.03461	0.7
70.10554	0.3
71.01390	3.8
71.70961	0.4
71.71406	0.3
73.02954	1.0
79.95738	0.4
80.02678	0.6
80.96522	3.2
81.03476	1.7
83.01414	0.5
83.05035	4.3
84.02177	0.6
85.02964	1.5
87.00883	0.9
89.02448	2.3
94.98134	0.7
95.01392	0.7
95.05058	0.5
96.96033	0.4
97.02948	2.5
97.06545	0.5
101.02460	3.8
109.52150	0.3
111.08176	2.5
113.02499	1.9
116.92872	1.3
119.03527	0.6
119.08707	0.5
125.02479	0.4
125.06094	0.6
125.09733	1.1
135.08141	0.6
137.09747	0.7
142.80959	0.3
143.03482	0.6
151.11418	0.3
161.04596	1.5
161.09818	0.3
163.11311	4.6
164.98686	0.5
165.12871	3.0
169.12355	0.8
171.10269	2.4
179.05545	0.6
181.12389	1.0
183.13911	0.4
185.11838	0.4
191.10773	1.0
193.12437	0.5
197.11852	10.9
198.12175	0.6
199.13414	1.4
207.10258	0.7
209.11847	100.0
210.01877	0.3
210.12172	6.5
211.13364	3.8
215.47633	0.3
223.13368	0.8
225.00833	0.7
225.11369	0.6
227.12895	13.8
228.13211	1.2
235.08223	3.6
247.20650	1.1
253.09277	12.9
254.09586	0.6
273.18668	0.7
291.19675	17.2
292.19989	1.7
293.21082	0.3
309.20734	39.6
310.21054	4.3
327.21576	0.4
433.80603	0.3
445.20822	2.2
463.21494	0.4
501.32135	0.7
527.28528	0.9
533.94397	0.3
540.54291	0.3
545.29846	1.2
671.79688	0.4
737.41406	0.5
779.47107	0.4
815.50720	2.6
816.50702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98832	100.0
62.05853	0.1
62.98536	0.2
62.99272	0.1
63.99259	0.1
71.01390	0.4
72.99313	0.0
73.02954	0.1
83.01437	0.1
85.02972	0.2
87.00907	0.1
88.98837	0.2
89.02463	0.2
90.95697	0.0
98.19816	0.1
101.02456	0.2
107.33882	0.0
113.02483	0.2
114.02840	0.1
119.03571	0.1
119.05043	0.1
121.03008	0.1
130.40518	0.0
135.04565	0.1
145.02945	0.1
161.02464	0.1
161.04590	0.1
163.07704	0.1
169.34744	0.0
171.10384	0.0
209.11731	0.0
220.09052	0.0
229.56435	0.1
285.10434	0.0
344.98193	0.0
403.92737	0.1
417.55127	0.0
486.00262	0.1
555.83124	0.0
753.47308	0.1
754.47986	0.3
814.45325	0.2
815.46967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01384	4.6
61.98834	40.6
63.99274	0.9
69.03464	0.8
69.44949	1.8
69.45382	2.6
71.01389	4.7
72.99311	0.6
73.02956	1.0
76.17583	0.4
78.98597	0.5
79.29963	0.5
79.95734	0.8
80.02695	1.2
80.96528	3.7
81.03468	1.1
83.01396	1.0
83.05027	4.9
84.02159	1.1
85.02964	0.9
87.00879	1.4
89.02459	3.1
94.98093	0.9
95.05029	0.8
96.95987	0.6
97.03001	2.4
97.06587	0.6
98.20740	0.4
99.00901	0.6
101.02468	3.6
101.58586	0.5
104.98483	0.5
108.25404	0.5
108.87168	0.5
109.06641	0.7
111.08175	2.8
113.02462	1.8
116.92944	0.7
125.02502	0.8
125.06093	0.9
125.09753	0.9
137.09802	0.9
143.03542	0.5
148.99178	0.8
153.12827	0.5
161.04588	2.8
163.11311	3.5
165.12852	4.0
169.12383	1.3
171.10268	2.8
176.62349	0.4
181.12373	1.1
191.10823	0.9
197.11856	12.2
198.12201	1.0
199.13382	2.0
207.10254	0.8
209.11848	100.0
210.12173	7.1
211.13423	5.1
212.35727	0.5
215.47681	0.5
223.13422	0.8
225.00694	0.5
225.11520	1.0
227.12898	16.1
228.13252	1.5
235.08240	3.3
247.20683	1.3
253.09297	14.7
263.20236	1.4
273.18530	0.6
291.19656	18.1
292.19986	1.5
293.21295	1.3
309.20721	43.4
310.21075	4.7
325.20248	0.6
398.31488	0.5
445.20798	2.1
463.21338	0.5
501.32129	1.1
545.29651	2.0
658.24237	0.5
787.56445	0.6
815.50372	3.7
816.50763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
61.98834	0.8
71.01387	0.6
71.71563	0.2
72.99311	2.7
73.02940	0.2
75.00877	0.2
84.13244	0.2
85.02989	0.2
88.98810	0.2
89.02475	0.6
96.96008	0.3
101.02447	0.4
113.02502	0.3
113.99763	0.2
116.05082	4.6
117.05379	0.2
128.05063	1.1
130.06653	1.8
131.03766	0.1
132.04581	0.5
133.02954	0.2
133.05069	0.3
135.04555	0.3
140.05080	0.4
140.24930	0.1
142.06644	100.0
143.07002	5.4
144.04562	0.5
150.03133	0.2
158.06140	11.1
159.06465	0.5
161.02483	0.7
165.05603	0.4
172.04063	0.3
175.03989	0.2
186.05629	44.9
187.05975	2.9
202.04924	0.2
204.06677	68.8
205.07010	4.6
227.07767	0.2
246.07709	47.8
247.08038	3.6
314.20053	0.1
361.16495	0.2
381.10400	0.2
448.47665	0.2
458.46887	0.2
523.21588	0.6
524.21661	0.2
814.32373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.1
61.98832	100.0
62.05862	0.1
62.98536	0.2
62.99257	0.1
71.01394	0.1
75.00880	0.1
80.48325	0.1
80.96523	0.1
91.27955	0.1
120.77243	0.1
170.33626	0.1
197.11827	0.4
209.11919	0.3
223.13437	0.2
224.13710	0.1
227.12976	0.1
289.18018	0.2
307.19214	0.1
309.20883	0.1
310.21152	0.1
447.36398	0.1
465.99570	0.1
516.78284	0.1
815.49426	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	813.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98819	1.8
70.01116	3.7
71.01376	2.9
75.00887	0.7
78.95911	80.4
79.95766	0.6
80.02680	2.2
80.96515	6.6
81.03473	2.3
83.05023	7.9
84.02163	1.9
85.02952	1.6
94.98112	1.3
96.96973	17.4
99.00935	1.0
99.92574	1.6
110.00111	0.6
113.02459	1.1
113.11276	0.6
115.92062	1.8
116.92871	6.4
125.02377	0.6
135.08148	1.1
152.99606	16.4
163.11319	6.2
164.98656	1.3
165.12856	3.4
172.62418	0.7
181.12402	0.9
191.10834	1.3
209.11842	75.5
210.12167	3.8
223.00177	6.0
225.00771	1.3
227.12881	3.2
241.01192	35.1
242.01498	0.8
255.23293	51.6
256.23651	5.0
259.02234	3.3
297.03830	1.7
315.04977	1.4
391.22467	2.7
395.14804	1.0
412.46042	0.6
553.27631	1.7
557.90027	0.7
709.38568	2.6
714.41260	1.2
715.42432	4.4
716.43109	0.8
781.41510	3.8
782.42554	1.3
795.49109	0.9
813.44281	100.0
814.44843	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	812.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98834	100.0
62.98539	0.3
63.31054	0.1
63.54283	0.1
67.68517	0.1
71.01404	0.4
73.02955	0.2
83.01412	0.1
85.02969	0.2
88.98834	0.1
89.02449	0.1
101.02460	0.2
113.02472	0.1
122.69092	0.1
130.39404	0.1
161.02455	0.1
171.10249	0.1
197.11917	0.1
209.11958	0.3
211.13405	0.1
225.11389	0.1
227.13074	0.1
264.11880	0.1
309.20563	0.1
501.33038	0.1
502.32794	0.2
563.22546	0.1
578.51154	0.1
585.72864	0.1
592.71002	0.1
751.49152	0.1
752.48645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01379	9.1
61.98835	33.7
62.34568	0.8
64.50540	1.0
69.03466	1.2
71.01389	6.3
71.71268	1.8
72.99324	1.2
73.02963	1.1
78.94448	0.9
80.02685	2.5
81.03473	3.5
83.01414	1.3
83.05040	7.2
85.02971	3.2
87.00892	1.1
89.02471	4.8
95.01413	0.9
95.05032	1.3
97.02970	5.3
97.06596	2.3
99.00878	0.9
101.02444	5.2
109.06589	9.2
111.08163	1.3
113.02461	3.1
119.03522	1.3
121.06609	0.9
125.02491	1.3
125.06026	1.0
125.09749	2.7
135.08208	1.3
137.09732	1.7
143.03537	0.9
158.29500	1.0
161.04594	1.5
163.11298	11.2
165.12897	3.6
171.10323	1.6
178.94702	0.9
181.12415	2.8
185.11888	4.1
191.14482	2.7
197.11816	5.1
199.13458	1.3
207.10298	26.1
208.10721	1.5
209.11856	100.0
210.12140	4.8
211.13400	4.2
225.11412	9.0
227.12909	14.4
235.08223	4.6
237.11293	1.5
245.19057	6.5
253.09293	14.1
255.23930	1.0
263.20166	1.8
271.17059	1.5
289.18085	30.8
290.18521	2.2
291.19714	7.8
307.19165	26.2
308.19513	3.1
309.20758	16.0
310.21033	1.4
311.22247	1.5
327.96637	1.0
443.18997	1.8
445.20538	1.2
461.20413	2.7
501.32156	12.2
502.31918	1.2
637.32574	1.7
735.40369	1.8
753.40533	9.4
754.41052	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	812.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.0
61.98826	0.9
65.34047	0.1
71.01383	0.4
71.41969	0.2
72.99316	2.5
75.00887	0.2
87.78619	0.1
89.02439	0.2
116.05087	4.2
117.05413	0.2
128.05060	1.3
130.06665	1.4
132.04584	0.6
140.05081	0.2
142.06648	100.0
143.06990	5.9
144.04588	0.5
153.52089	0.1
156.04633	0.2
157.12352	0.3
158.06137	11.7
159.06462	0.5
172.03920	0.3
178.51906	0.2
185.11787	0.2
186.05627	44.3
187.05968	3.0
203.12914	2.0
204.06674	68.5
205.07010	4.4
235.96638	0.2
245.13971	0.8
246.07712	44.6
247.08099	3.0
352.65897	0.1
399.00266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98832	100.0
62.98547	0.2
71.01372	0.1
71.71529	0.1
72.50597	0.1
88.98846	0.1
90.94696	0.1
92.83057	0.1
101.02454	0.1
101.30418	0.1
116.92880	0.3
121.86263	0.1
122.40430	0.1
155.62817	0.1
201.11359	0.1
206.67317	0.1
209.11829	0.4
211.13449	0.1
223.13440	0.2
224.13828	0.2
244.49287	0.1
252.90735	0.1
277.21884	0.4
300.19742	0.1
341.10834	0.1
448.42169	0.1
671.32062	0.1
725.37476	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	812.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	0.4
59.01376	6.2
59.01671	0.4
61.98843	0.4
69.49258	1.9
72.99311	2.8
108.31785	0.2
116.05068	4.1
128.05061	1.2
130.06627	1.6
132.04660	0.4
142.06641	100.0
143.07002	5.2
144.04578	0.6
147.04524	0.6
158.06129	11.4
159.06473	0.7
161.02435	0.6
165.05548	0.8
172.04008	0.3
175.09735	0.2
186.05618	44.1
187.05991	2.8
204.06662	69.4
205.07013	4.5
207.06573	0.2
246.07703	43.8
247.08029	4.0
255.02713	0.2
531.91272	0.2
593.15472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58263	0.2
57.03453	3.0
58.00594	1.4
59.01385	23.3
60.99320	0.4
61.98837	40.3
62.46138	0.3
63.26987	0.2
69.03470	1.1
71.01392	39.1
72.01732	0.8
72.99317	2.5
73.02957	13.9
75.00891	1.0
80.24144	0.2
81.03462	0.4
83.01398	6.5
84.02219	0.4
85.02966	23.8
86.00130	0.9
86.03289	0.3
87.00889	3.2
87.04521	0.6
88.98830	1.4
89.02454	4.8
95.01404	3.5
97.02959	1.4
99.00895	4.6
101.02464	25.3
102.02804	0.5
103.04029	2.2
111.00913	0.9
113.02473	14.9
114.02820	0.3
115.04020	0.7
115.08199	0.2
117.03521	0.6
119.03559	1.3
119.05022	1.3
125.02486	1.5
127.04031	0.3
129.01958	0.7
131.03537	1.5
133.02960	0.4
134.03667	0.3
135.04573	0.4
137.02493	0.4
143.03514	2.6
145.02959	1.5
145.05058	0.4
159.03012	2.2
159.04105	0.3
161.02460	1.0
161.04587	6.4
163.04079	0.6
163.06180	0.9
179.05771	0.3
205.03566	0.3
205.07182	0.8
211.13577	0.3
264.84186	0.3
311.42358	0.3
327.21866	0.3
337.07202	0.5
356.51447	0.3
405.31833	0.3
407.33267	0.4
423.32751	0.9
425.34021	0.6
443.35229	3.7
444.35791	0.8
587.39410	0.4
605.40662	5.2
606.41071	1.0
649.38574	1.0
751.46710	100.0
752.47034	28.3
759.83307	0.3
811.45135	3.0
812.44171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
58.48560	0.4
59.01381	11.2
61.98831	4.9
69.03464	2.5
69.51273	3.8
69.76488	0.4
71.01389	4.8
71.05010	0.9
72.99341	0.5
73.02943	1.4
73.47775	0.4
76.19672	0.4
83.01415	0.5
83.05013	0.8
85.02966	1.2
87.00874	0.9
89.02459	3.2
91.72896	0.4
95.01372	0.5
95.05051	0.7
97.02965	2.4
97.06602	0.6
98.19777	0.7
101.02457	3.5
108.05866	0.5
109.06591	0.9
111.08169	5.0
113.02445	1.7
116.92883	0.7
119.03528	1.2
119.08683	0.6
125.02475	0.9
125.09747	1.3
137.09750	0.5
143.03519	0.4
145.05135	0.5
151.11400	0.5
153.09238	0.6
161.04593	2.0
163.11287	1.0
165.12869	2.2
167.10828	2.7
169.12350	1.4
171.10272	1.4
179.05611	0.6
179.10841	1.1
179.14467	4.0
181.12335	0.9
183.13919	1.0
193.12437	0.4
195.13930	10.0
196.14334	0.7
197.11848	22.0
198.12253	1.2
199.13480	0.7
205.12325	9.0
207.10216	0.7
209.11835	1.8
211.13464	3.7
223.13402	100.0
224.13747	6.2
225.11404	0.9
227.12912	2.2
235.08272	5.8
247.20700	1.8
253.09319	14.2
261.47366	0.5
263.20071	1.1
265.18158	0.7
273.18604	1.4
277.21680	0.5
291.19666	21.5
292.20056	1.8
307.18924	0.5
309.20718	54.3
310.21048	4.6
358.42496	0.5
441.21292	0.9
459.22336	15.5
460.22583	1.9
503.29828	0.6
515.33789	1.4
527.28809	1.2
545.29633	3.8
751.43091	5.1
752.42999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
61.98834	100.0
62.98535	1.0
63.99251	1.0
64.56417	0.4
71.01397	4.5
72.99329	0.7
73.02961	2.0
75.00863	0.4
82.03010	1.4
83.01403	1.2
85.02955	2.1
87.00889	1.2
88.98810	1.3
89.02474	2.1
94.02999	23.4
95.01405	0.7
95.03317	0.4
96.04562	1.6
99.00897	1.5
101.02453	2.5
108.02174	0.4
108.04565	3.7
109.02970	0.6
110.06143	1.3
112.98827	0.4
113.02480	1.7
116.92859	1.3
117.03482	0.7
119.05033	1.2
120.08212	10.1
121.02971	0.7
121.08533	0.4
122.03823	0.5
122.06155	1.4
124.07724	1.7
125.02474	0.6
133.02994	1.9
134.03745	2.3
134.06134	1.0
135.04550	1.9
136.04048	1.5
137.02483	0.7
137.04877	0.7
138.05630	11.6
142.06656	2.1
144.04581	3.1
145.02998	2.5
146.06151	0.9
147.04497	0.6
148.07686	0.8
149.02455	1.2
149.06094	0.7
150.03235	2.1
150.05609	2.6
151.00414	0.7
151.04037	1.1
152.07185	0.6
158.06209	0.5
160.01636	0.9
161.02469	6.6
161.04581	0.8
162.05574	1.3
163.04042	1.8
164.07199	1.1
165.05605	2.3
167.03491	0.6
172.04037	0.6
173.04865	0.8
174.05644	2.1
175.04012	0.8
178.02745	1.0
179.03510	2.1
179.05736	0.5
181.05013	0.5
186.05560	1.1
187.06343	0.5
188.03554	1.9
193.05133	2.4
195.06697	1.0
203.05898	6.1
204.06583	2.8
205.05162	0.7
207.06888	0.5
209.10822	1.2
215.11848	0.6
217.13371	1.3
223.08740	1.7
236.09546	1.8
237.10231	2.6
238.11154	1.1
239.11896	1.1
241.13519	0.5
243.11433	1.3
246.07681	1.3
249.10271	1.4
249.14099	0.7
250.07486	0.6
250.10905	0.7
251.11887	13.7
252.12308	1.4
253.09801	0.6
257.09372	0.5
257.12982	0.5
261.10132	0.6
262.07568	0.9
263.08112	2.3
263.11823	2.8
264.09048	2.2
264.12198	0.9
265.09747	1.4
265.13556	2.2
266.10370	0.6
267.07758	0.9
267.11316	1.3
268.08600	0.8
269.09207	0.5
269.13022	0.5
270.10062	0.5
273.07697	0.6
275.08313	3.7
275.11240	0.8
276.08966	4.0
277.09818	14.8
278.10553	4.7
279.11377	2.2
282.10007	1.0
285.12494	1.9
289.09979	0.7
289.13574	0.4
290.10666	3.9
291.11398	14.3
292.08783	0.7
292.12134	14.5
293.09644	0.9
293.12897	8.6
294.10251	0.5
294.13507	1.7
295.10822	1.3
296.11679	1.3
297.12311	1.0
298.12985	0.6
303.13562	1.4
306.10065	0.6
308.11478	0.5
309.12476	0.7
310.09445	0.6
313.11426	0.7
315.11417	0.7
316.12259	1.1
317.09332	0.6
318.10083	6.9
319.10626	2.7
323.07550	1.1
324.11227	3.5
325.11707	0.6
327.13599	3.3
335.10318	7.1
336.11160	6.5
337.11887	3.4
345.14493	0.5
346.15588	1.0
347.16354	0.7
348.16971	0.7
350.12695	0.7
362.18570	0.6
373.14191	0.7
374.18875	2.4
375.19443	1.6
376.20172	1.1
378.12009	0.5
379.15463	0.6
386.14841	0.9
388.16611	2.0
389.17319	1.2
400.16946	0.6
401.17319	0.8
402.18158	1.3
414.18323	0.7
415.19153	0.5
416.19922	6.4
417.20444	1.6
420.19418	6.0
421.19757	0.6
430.17526	0.9
440.20044	0.6
442.17722	2.9
443.18420	2.2
446.17072	0.6
448.22659	1.1
456.20129	0.6
460.18768	7.7
461.19489	6.3
462.20157	1.8
471.23837	1.0
472.22641	1.0
474.20367	2.3
484.18533	0.9
487.12009	1.1
492.21399	29.8
493.21738	4.6
502.20050	0.6
513.25177	1.9
516.21466	2.9
531.26227	0.8
534.22302	4.4
539.23071	1.0
555.26062	0.8
557.23999	4.1
558.24640	0.6
573.27252	1.1
581.24323	0.8
589.26685	23.7
590.27081	4.2
599.25031	6.3
600.25751	1.0
617.26245	17.3
618.26563	3.1
631.27881	21.0
632.28339	4.5
649.28857	64.7
650.29236	14.6
673.29034	5.5
674.29053	1.3
691.17731	0.9
691.30005	15.8
692.30322	3.6
721.30634	0.8
751.31958	0.8
811.31641	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	810.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.8
59.01381	10.5
61.98833	72.1
71.01382	13.8
72.99303	5.4
73.02921	1.6
75.00873	21.2
78.95928	1.5
80.96516	5.8
85.02958	22.2
87.00874	6.1
89.02437	3.5
95.01383	5.6
99.00893	11.9
103.00359	1.5
113.02469	20.3
117.01893	1.5
123.48853	1.3
129.01976	1.9
141.89804	1.4
175.02487	3.5
206.80927	1.3
209.11823	31.3
210.12228	2.7
227.12956	2.5
229.66602	1.7
249.06059	1.8
255.23299	75.6
256.23608	8.1
530.92346	1.9
593.75677	1.5
715.42865	52.9
716.43549	11.6
747.45465	100.0
748.46014	22.7
810.43280	1.8
811.41803	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	811.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.8
59.01383	10.8
61.98833	77.7
62.98509	0.8
63.99239	0.8
68.53045	0.7
69.38705	7.8
71.01398	6.5
73.02940	2.3
82.02991	2.7
83.01384	2.3
85.02951	2.9
87.00860	1.3
88.98791	2.1
89.02441	1.8
94.02996	35.4
95.01396	1.0
96.04565	1.8
99.00860	1.3
101.02441	2.7
105.05872	1.2
108.04579	3.8
110.06117	1.6
113.02466	2.5
116.05025	0.9
116.92858	0.7
119.05050	0.9
120.08208	15.8
122.06119	2.4
124.07681	1.7
125.02486	1.3
132.04556	0.9
133.02966	1.8
134.03719	2.5
134.06111	1.0
135.04520	0.9
136.04068	3.5
137.02415	0.9
137.04817	1.3
138.05630	16.5
139.00407	0.9
139.05962	0.9
142.06656	12.6
144.04562	4.9
145.02942	3.0
145.08731	4.2
146.06117	1.2
148.07715	1.2
149.02486	1.0
150.03229	2.1
150.05571	1.7
152.07220	1.1
158.06100	2.2
160.03987	0.8
161.02486	5.0
161.04678	1.4
162.05609	2.5
163.03978	1.2
164.07164	2.6
165.05577	2.1
172.07576	0.8
174.05632	4.3
176.01085	0.8
179.03499	1.5
181.05099	0.9
186.05640	5.3
187.09819	1.3
188.03537	2.4
193.05121	2.7
203.05893	8.5
204.06654	9.5
205.05070	0.9
209.10715	1.1
215.11758	1.1
217.13547	1.2
223.08768	2.0
223.12227	0.9
225.10275	1.5
225.13966	0.8
236.09569	2.3
237.10341	3.6
238.11089	2.0
239.08253	0.8
239.11859	1.8
243.11533	1.3
246.07687	4.6
247.08766	0.9
247.12546	1.0
248.09415	1.0
249.10365	0.8
250.07303	0.9
250.10970	1.0
251.11879	18.6
252.12361	2.9
253.09644	0.8
261.12469	1.3
262.07474	1.3
263.08231	3.7
263.11926	4.0
264.08932	4.3
264.12384	1.0
265.09641	2.6
265.13425	3.2
266.10568	1.4
267.07278	1.0
267.11392	1.6
268.08499	1.1
269.09128	0.9
269.12833	1.0
275.08264	4.1
275.11438	1.2
276.09030	6.8
277.09808	20.0
278.10413	7.8
279.11334	2.8
280.11914	1.1
284.11523	0.8
285.12280	3.6
289.09689	0.9
290.10638	7.5
291.11371	20.9
292.12125	23.7
293.09692	1.5
293.12875	13.4
294.13416	2.2
295.10660	1.4
296.11642	1.3
297.12399	1.6
303.13342	1.9
306.09906	1.0
309.12506	0.9
310.09549	1.1
311.14243	0.8
315.11679	0.8
316.12268	1.7
317.12662	0.9
318.10004	11.2
319.10590	4.2
324.11096	5.2
325.11835	1.3
326.12378	0.8
327.13504	5.4
335.10419	10.7
336.11066	9.4
337.11792	3.7
338.12524	1.2
345.14771	1.0
346.15594	1.6
348.17300	1.1
360.17358	1.0
362.18713	1.2
374.14645	1.5
374.15439	1.0
374.18713	5.7
375.19476	2.1
376.20282	1.4
378.12619	0.9
386.14816	1.2
387.15494	0.9
388.16595	3.5
389.17252	1.6
400.16461	0.9
402.18240	2.1
416.19949	10.8
417.20554	2.7
420.19275	10.3
421.20010	1.1
434.20688	1.1
440.19775	0.9
442.17789	4.2
443.18362	4.1
448.22302	1.3
460.18707	12.7
461.19418	11.8
462.20261	3.3
471.24017	1.8
472.22815	1.7
474.20447	3.4
475.21194	0.8
484.18561	1.2
492.21378	46.9
493.21753	7.9
513.25128	1.7
514.25562	0.9
516.21533	4.0
531.26483	1.8
534.22327	7.6
539.22827	2.9
555.25970	1.3
557.24091	7.2
558.24542	1.4
571.25549	1.3
573.27173	1.9
581.24017	2.8
589.26703	43.1
590.26935	7.6
599.25140	11.7
600.25378	2.1
617.26343	24.8
618.26666	4.9
631.27856	31.9
632.27881	7.1
641.25671	0.8
649.28888	100.0
650.29205	23.3
673.29272	6.9
674.29431	1.6
691.30127	20.4
692.29987	4.7
721.30817	0.9
811.31067	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	809.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
58.00586	1.6
59.01089	1.0
59.01382	20.6
59.41408	0.6
60.20559	0.5
60.99289	0.6
61.98835	8.4
69.37128	0.6
71.01388	36.6
71.70980	0.5
72.99333	2.8
73.02951	14.7
75.00896	1.1
81.25835	0.5
83.01403	6.7
84.57175	0.5
85.02961	23.0
86.00114	0.8
86.03315	0.6
87.00888	2.6
87.04506	0.7
88.98812	5.4
89.02443	4.1
95.01433	3.1
97.02953	1.4
99.00896	5.4
101.02457	24.6
103.04019	2.2
110.96574	0.7
111.00851	1.0
113.02470	15.4
116.92879	3.0
125.02433	1.7
129.01965	1.0
131.03517	1.3
135.92256	0.5
143.03490	2.4
145.05109	0.9
159.02966	2.6
161.04572	8.0
163.06091	1.0
171.10301	1.2
199.13330	0.7
209.11810	1.3
227.12910	0.7
253.09302	1.0
293.21274	1.0
306.89276	0.6
309.20731	0.7
426.56424	0.6
499.30496	1.2
603.42786	4.8
730.08997	0.6
749.48755	100.0
750.49091	27.4
755.41650	0.9
763.46680	2.0
809.41431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
58.00573	1.1
59.01087	1.1
59.01384	22.1
61.98836	12.4
69.03452	0.8
69.63408	5.5
71.01392	36.1
72.80865	0.6
72.99303	2.0
73.02956	13.7
75.00879	1.5
78.59447	0.5
78.98639	0.6
83.01404	6.9
84.89038	0.6
85.02967	20.8
86.00108	1.0
87.00893	3.1
89.02465	5.2
93.53888	0.6
95.01420	3.3
97.02979	1.5
97.53961	0.6
99.00902	5.6
101.02464	24.2
102.02792	0.7
103.04025	2.1
109.02950	1.2
111.00907	0.6
113.02480	15.5
115.04038	1.2
116.92881	1.8
125.02467	6.2
129.01912	1.1
131.03502	1.1
134.89450	2.0
137.02464	1.0
143.03497	2.1
159.03024	2.6
161.02489	1.5
161.04556	7.3
167.03464	1.6
173.05028	0.6
177.01938	1.8
178.30951	0.6
205.07149	0.8
209.11800	1.8
211.13419	1.2
225.11365	0.7
272.83157	0.6
277.21609	0.8
280.57501	0.7
293.21494	0.9
305.06726	1.3
501.32123	2.3
603.42456	4.2
749.48767	100.0
750.49115	26.6
809.42212	0.7
810.42877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4356
Annotation	Rivaloside B
Peak:m/z	Relative Intensity
57.14470	0.4
59.01387	4.6
61.98835	18.6
71.01386	5.1
71.70563	0.4
71.71069	0.6
72.99320	1.0
73.02952	0.9
74.13731	0.4
75.00865	0.5
83.01405	1.2
85.02964	2.2
87.00881	0.6
88.98822	0.7
89.02450	2.0
94.09253	0.4
95.01398	0.5
99.00913	0.8
101.02444	3.2
105.01992	0.7
111.00870	0.7
113.02455	2.4
116.92880	1.1
125.02468	0.5
133.02989	2.0
135.04555	0.5
145.29689	0.4
149.02548	0.5
161.02472	4.7
161.04599	1.5
161.51147	0.4
161.52489	0.4
179.03539	0.6
201.11403	0.6
209.11893	0.9
262.49707	0.4
365.44534	0.5
423.32739	1.8
424.33005	0.5
485.32715	100.0
486.33075	18.9
499.34512	1.0
527.33728	6.0
528.34174	1.4
555.90570	0.5
647.37952	2.1
689.39319	6.8
690.39459	1.5
749.44855	0.9
791.42426	0.9
809.43500	52.1
810.43872	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	809.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
57.70389	1.4
59.01381	23.7
61.98837	24.2
65.01371	1.2
69.65131	8.3
69.65556	3.4
71.01388	16.8
72.99318	6.1
73.02953	6.2
75.00890	2.5
83.01413	3.6
84.00870	1.4
85.02966	6.2
87.00895	6.2
88.51463	1.6
88.98815	5.0
89.02448	7.0
94.03004	9.3
96.04580	3.9
96.96046	1.8
99.00902	4.0
101.02467	10.3
108.04587	4.2
110.06151	5.9
113.02449	7.5
116.05120	3.4
119.04951	2.4
120.04586	5.8
120.08221	8.7
122.06152	8.9
123.04561	2.7
124.04050	2.8
125.02513	2.8
130.06702	1.9
131.03665	2.0
133.02936	2.7
135.04599	2.6
136.04060	2.9
137.02455	3.8
138.05617	11.7
142.06648	88.1
143.07008	4.0
144.04611	6.0
147.04578	3.5
149.02449	3.0
150.03185	3.2
150.05658	2.8
151.00235	1.6
151.04002	2.1
152.03525	1.8
156.76404	1.3
158.06136	11.1
161.02438	7.3
161.04596	4.5
162.05614	2.4
164.07260	2.4
165.05585	6.2
167.03503	3.2
173.11264	1.5
174.01755	2.6
174.05602	2.1
175.02631	2.1
175.04099	1.9
179.03493	2.0
179.05579	1.8
186.05637	36.8
186.07211	2.8
187.05971	1.7
188.03542	3.3
195.06688	3.1
203.05907	9.3
204.06667	58.6
204.08542	3.2
205.05031	1.8
205.06976	4.5
223.08743	2.4
237.10316	2.1
243.12091	1.6
246.07703	36.7
249.10344	3.7
251.11935	10.8
261.10327	3.4
262.07455	2.0
263.08350	5.0
263.11905	10.2
264.09125	4.2
264.12643	2.7
265.09799	4.4
265.13489	4.9
267.11340	1.7
275.08264	8.2
275.11572	2.6
276.09039	10.5
277.09842	44.6
278.10483	12.2
279.11447	5.1
283.10638	2.3
284.02921	1.4
285.12665	1.6
289.09763	1.9
290.10635	15.6
291.08130	2.1
291.11401	40.9
292.12146	34.5
293.09573	2.6
293.12784	11.9
294.10220	1.8
295.10907	3.8
305.09021	3.4
306.10123	1.8
309.12418	1.9
310.09729	2.7
313.11929	3.8
317.09283	3.6
318.10086	26.5
319.10788	10.7
320.11490	2.3
323.07584	2.3
324.11240	4.1
325.11771	4.3
335.10339	11.9
336.11252	19.0
337.12009	7.5
338.12625	2.2
343.12973	5.3
344.14139	2.9
345.14734	2.2
346.15671	5.3
350.08847	2.0
351.13898	1.9
358.15585	1.9
360.16913	3.1
370.15924	2.1
372.13263	3.1
372.17542	1.6
376.16675	1.6
384.13336	3.2
386.14963	3.4
386.19257	2.1
398.14975	3.3
399.15762	3.3
400.16736	3.4
402.18323	1.9
412.16531	3.5
414.18332	12.7
415.19122	2.0
418.17892	4.5
428.16055	2.4
432.19696	3.2
434.17432	1.8
440.15845	6.8
441.16388	4.3
446.17114	1.8
458.17038	13.7
459.17706	4.0
460.18530	2.2
465.18390	1.5
472.18713	2.8
476.18362	6.3
478.19873	3.2
490.19919	16.1
491.20157	2.6
501.14108	3.0
508.20972	5.6
555.22882	2.8
587.24896	6.3
615.24487	2.4
629.26111	4.4
647.27344	4.4
671.27234	3.0
694.26587	1.8
712.27692	8.8
718.29120	2.0
759.29553	6.4
760.29321	2.5
761.29553	2.6
773.30597	4.0
777.30157	10.5
779.31665	9.0
780.32135	2.9
791.31763	34.4
791.46320	2.7
792.32629	8.6
792.46222	1.7
809.32819	100.0
810.33368	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01382	24.1
61.98835	24.1
68.99829	1.1
70.48448	3.8
71.01386	16.7
72.99298	1.3
73.02959	5.6
81.03469	1.2
83.01399	4.4
85.02959	10.0
86.00103	1.4
87.00886	2.6
88.98779	1.2
89.02451	2.6
94.06663	2.0
95.01376	2.7
95.05038	1.9
97.02955	1.5
99.00897	4.3
101.02469	20.5
107.03791	4.7
108.04633	1.1
109.02928	1.4
110.06133	5.8
111.00906	2.4
113.02469	6.4
118.06631	1.3
119.05019	1.7
120.08212	10.7
121.05343	3.8
122.06143	64.4
123.06487	2.5
133.03035	1.4
134.06125	9.4
135.04527	1.2
136.07701	3.6
137.02414	1.4
138.05638	1.7
144.04585	10.2
146.06148	5.0
148.07663	1.2
149.06105	1.4
150.03233	1.5
152.07114	1.2
158.06163	1.1
159.03090	1.4
160.04031	1.5
161.02454	5.8
161.04573	2.5
162.05672	3.7
164.07126	2.0
165.05557	1.7
166.02776	1.4
167.03574	1.5
172.04100	1.3
173.04895	1.3
174.05597	2.9
179.03551	1.5
188.03549	4.3
191.18507	1.1
193.05473	2.1
193.07169	12.6
203.05919	20.8
204.06604	5.3
209.10864	3.5
215.11916	4.0
222.08058	1.3
223.08769	3.0
225.13985	1.4
227.11948	1.8
235.08728	1.2
236.07423	1.1
236.09427	6.5
237.10371	8.1
238.11160	2.5
239.11925	1.7
243.15216	1.2
247.12306	1.3
247.55962	1.1
248.09439	2.5
249.10410	6.0
250.07384	1.3
250.11029	3.3
251.08075	1.4
251.11913	25.9
252.12538	3.8
253.09886	2.3
253.13460	2.5
255.11359	1.4
261.07510	1.1
261.10464	3.1
262.07477	3.7
262.10953	3.2
263.08231	9.5
263.11853	12.1
264.08978	7.3
264.12054	2.2
265.09918	6.4
265.13364	6.2
266.10419	2.2
267.11349	3.5
268.08353	1.7
269.12906	5.9
273.10339	2.1
274.11041	1.2
275.08270	12.3
275.11572	2.2
276.08969	12.7
277.09814	56.0
278.10495	16.6
279.08142	1.8
279.11310	8.9
280.11810	1.4
282.10367	1.2
283.10867	3.0
285.12250	1.5
287.14078	2.7
289.09818	2.6
290.10620	20.1
291.11395	46.0
292.08774	1.7
292.12149	28.0
293.09558	2.3
293.12814	10.9
294.09891	2.5
294.13324	1.3
295.10812	6.3
295.14212	2.1
296.11554	1.8
297.12497	1.4
304.08630	2.7
305.09326	2.2
309.08862	3.1
309.12491	1.6
310.09589	5.0
311.10324	2.6
313.11719	5.5
317.09149	5.4
318.10110	42.1
319.10712	15.6
320.11407	1.7
324.11328	4.9
325.12006	8.3
326.12207	1.9
335.10364	9.4
336.11108	14.0
337.11884	5.5
339.13474	1.4
340.11057	1.3
342.12469	2.2
343.13013	10.9
344.13828	3.9
346.15576	4.6
350.08978	3.1
350.12872	1.5
356.14096	2.2
358.15741	6.0
359.16400	3.5
360.17285	3.0
372.17236	4.9
373.17889	2.1
374.18756	4.5
376.16687	1.6
382.11942	3.0
384.13458	3.9
384.17691	2.0
386.14789	6.0
387.15784	2.4
388.16736	6.7
391.15332	1.2
396.17386	1.7
398.15097	8.2
399.15793	10.2
400.16650	18.4
401.17139	2.9
404.16235	1.5
406.17819	2.8
412.16733	4.7
413.17325	3.6
414.18231	14.4
415.18707	4.6
416.15680	1.8
417.16733	2.0
418.17828	9.3
419.18256	1.8
428.16141	4.1
429.16580	1.7
430.17844	1.9
440.16153	9.0
441.16898	4.8
442.17365	1.6
446.21344	1.7
458.17233	20.7
459.17938	7.0
460.18692	5.2
463.20923	12.4
472.18588	7.2
473.19193	1.5
476.18594	2.5
481.22391	1.4
490.19839	57.4
491.20163	9.0
495.24329	1.5
508.20877	4.0
509.21692	1.4
512.18188	5.5
513.18311	1.3
521.21332	2.2
537.24774	3.3
539.23407	2.3
551.23132	4.9
559.26282	4.6
563.23126	13.2
564.23236	2.6
581.24133	27.5
582.24603	8.6
583.26605	1.8
594.24011	5.2
595.25378	2.6
599.25073	2.5
601.27020	3.6
612.25903	6.4
613.26721	16.0
614.27094	3.1
622.24420	2.3
631.27692	2.6
634.23938	6.2
635.24573	1.9
652.25177	22.9
653.25708	5.5
654.26855	6.6
666.26703	15.0
667.27069	4.3
684.27960	62.7
685.28198	14.0
707.32428	1.5
715.29962	1.8
716.30676	1.9
733.31171	5.7
734.31836	4.3
745.31952	4.3
757.31702	5.3
763.31830	1.5
775.32526	10.4
776.32373	3.2
777.34155	13.0
778.34705	3.4
789.33875	39.6
790.34064	9.4
807.34918	100.0
808.35205	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	805.5655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98832	28.8
67.09241	0.4
71.01386	0.8
71.63802	0.8
71.76249	0.4
78.91911	0.8
80.91699	4.8
96.26527	0.3
101.02456	0.5
111.37579	0.4
121.94845	0.4
152.03992	0.4
171.10310	2.3
209.11768	0.7
216.97264	0.4
225.00856	0.4
253.21654	1.2
277.21811	1.0
407.29535	1.5
408.29807	0.5
409.31134	17.0
410.31467	2.7
453.30057	100.0
454.30399	18.0
454.36755	0.9
476.01807	0.5
523.50781	0.4
805.41339	0.9
838.78265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.00599	1.0
58.42155	0.7
59.01381	36.5
60.99333	1.0
61.98835	52.2
67.01914	0.8
71.01389	8.0
73.02946	1.1
80.96516	1.5
83.01392	2.4
85.02959	3.5
87.00894	2.7
88.98815	7.1
89.02445	3.4
93.03491	3.6
95.01424	1.1
95.05012	1.1
96.96025	2.9
97.02961	0.8
99.00906	1.0
101.02482	4.4
111.00904	1.7
113.02470	3.0
115.00437	0.8
117.03487	0.9
119.03515	1.8
119.05039	1.2
121.02993	5.4
122.03780	10.7
122.06128	1.6
123.04539	2.2
124.01638	1.0
125.02431	1.9
128.90228	1.1
129.01982	0.8
133.02997	2.7
134.03757	1.8
135.04506	2.5
136.01683	2.8
137.02481	5.8
139.00388	0.8
142.06606	3.3
145.02963	1.5
147.04558	1.3
149.02469	29.2
149.04314	1.1
150.03252	80.2
151.03647	7.1
152.03619	0.9
153.01971	1.0
155.33501	0.7
158.06161	0.8
160.01688	2.4
160.04106	1.0
161.02496	6.6
161.04597	1.9
161.05948	0.7
162.03105	1.2
163.04050	1.9
164.04796	10.0
165.01961	30.4
165.05592	99.0
166.02477	0.9
166.05934	8.5
167.03549	1.0
175.02641	1.4
175.04016	3.8
176.04761	0.9
177.02010	0.8
177.05629	1.1
178.02742	0.9
179.03525	7.5
179.05615	1.5
179.07126	2.2
180.04308	26.9
181.04936	2.2
186.05663	1.5
188.39410	0.8
189.05550	1.6
190.02832	1.2
190.06348	2.2
191.07135	1.4
193.05145	3.3
194.05785	3.4
195.06642	68.7
196.06995	5.3
203.05873	1.0
204.06639	2.0
205.05200	1.1
205.08720	2.7
207.06645	1.5
208.07462	1.3
210.05295	3.7
225.07695	22.4
226.08150	1.4
235.06291	0.9
246.07632	1.3
270.08945	1.3
271.10083	0.7
283.09882	0.8
285.11288	2.4
297.07773	0.8
298.08600	1.2
299.09299	1.7
301.11655	1.2
311.09250	1.3
313.11072	1.0
314.07855	1.6
319.12939	3.1
324.10349	1.1
325.10925	1.1
326.11530	1.3
327.12454	2.5
328.13113	5.5
329.10263	5.0
341.10300	6.2
341.13907	1.4
342.11020	1.1
343.15707	4.2
344.12595	8.4
345.13190	1.2
355.11856	1.5
356.12582	4.8
357.13251	1.2
359.15027	18.3
360.15295	2.6
369.13660	1.0
371.15060	11.9
372.15192	1.2
389.16098	9.5
390.16446	1.2
419.17502	1.1
461.15933	0.9
492.17688	2.5
493.18182	1.0
507.20200	7.1
508.20975	1.0
536.20062	1.3
537.21252	40.3
538.21606	8.4
567.22583	3.7
574.15582	0.8
583.22095	0.8
584.22034	1.8
585.23419	100.0
586.23749	19.3
590.69464	0.7
595.22174	2.1
597.23462	2.2
613.23029	3.9
614.23169	1.1
615.24323	7.3
616.24695	1.7
627.24561	1.0
645.25861	13.1
646.26013	3.0
687.26880	3.2
759.29059	1.4
775.28046	1.9
807.30878	6.6
808.31299	2.1
809.99451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01388	3.9
61.98510	0.9
61.98832	15.2
64.35745	0.4
71.01388	6.2
71.70909	0.6
73.02968	2.1
75.00866	0.5
76.26631	0.4
83.01402	1.6
85.02960	4.0
87.00887	1.1
88.98816	0.7
89.02444	1.3
89.03973	1.0
95.01415	0.5
97.02986	0.9
99.00887	0.8
101.02464	3.9
113.02435	3.4
116.92865	2.4
117.03494	4.3
125.02486	0.7
132.02199	19.5
133.02928	1.6
134.03767	61.3
135.03992	2.3
137.02475	0.8
139.03995	0.5
147.04562	0.7
149.06093	6.3
160.01683	100.0
161.02063	5.2
161.04469	0.6
171.10304	1.5
175.04030	91.1
176.04404	5.0
178.02708	1.5
179.03505	1.1
191.07133	0.6
193.05086	44.7
194.05513	2.3
207.06656	0.6
207.10281	0.6
209.11853	2.0
211.13425	1.8
212.13771	0.7
221.04709	0.6
235.06117	1.4
235.08296	0.5
253.09224	0.9
256.79828	0.5
277.07202	0.7
295.08398	0.6
327.21689	1.5
419.86490	0.5
712.38025	0.5
805.40479	89.8
806.40778	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01386	3.3
61.98835	4.8
69.38551	0.3
70.86178	0.7
71.01389	6.3
72.99309	0.3
73.02956	1.8
81.55987	0.3
83.01392	1.2
85.02957	3.2
87.00892	0.9
88.98816	0.4
89.02471	0.9
89.03992	1.4
95.01419	0.7
97.02958	0.3
99.00907	1.1
101.02454	3.9
103.00433	0.7
104.02724	0.5
113.02467	1.8
116.92865	0.6
117.03480	4.4
119.05051	0.4
125.02477	0.7
132.02199	20.4
133.03091	1.7
134.03763	65.4
135.04184	1.9
137.02454	1.2
149.06113	5.6
159.03021	0.6
160.01683	100.0
161.02058	5.2
161.04520	0.4
167.07001	0.3
171.10341	0.4
175.04028	94.2
176.04362	4.4
177.05568	0.5
178.02792	1.2
179.03519	1.3
191.07190	1.0
193.05081	45.5
194.05344	2.4
209.11841	1.1
211.13435	0.8
235.06075	1.1
253.09332	0.6
257.52963	0.3
259.80688	0.4
305.29919	0.3
337.09296	0.7
394.34799	0.4
399.82455	0.3
434.23401	0.3
761.34485	0.4
805.40436	77.4
806.40729	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	805.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01381	45.1
59.41272	1.0
61.98833	79.4
68.99815	1.6
71.01388	16.7
71.71343	1.4
72.99307	2.2
73.02959	6.7
75.00843	1.9
76.12795	1.1
83.01398	5.4
85.02949	10.8
87.00880	3.1
88.98801	2.7
89.02440	4.6
94.06639	1.1
95.01392	2.6
96.96008	1.7
99.00874	4.0
101.02460	18.2
108.04551	3.2
111.00877	2.3
113.02486	6.5
116.92860	2.4
119.05038	1.4
120.08179	2.3
121.05366	1.3
122.06143	6.7
123.04527	1.3
125.02441	3.3
129.01891	1.2
130.30923	1.1
133.02983	2.7
134.06151	8.6
135.04517	1.3
136.04015	3.0
137.02478	1.2
139.00368	1.1
143.03493	1.2
144.04582	5.4
145.02940	1.3
146.06189	1.2
148.05096	1.1
150.03139	1.7
153.01959	2.0
160.01657	1.4
160.03992	1.8
161.02451	5.5
161.04594	3.4
162.05611	3.0
165.05525	1.6
167.03519	2.8
174.01736	1.5
174.05621	4.4
186.05519	1.3
188.03532	1.9
193.05261	1.7
193.07172	21.7
197.11809	3.2
201.10228	3.1
203.05891	9.7
204.06619	1.3
209.11815	5.2
213.10342	17.3
214.10709	1.4
215.06943	1.4
221.06941	1.6
223.08749	1.9
225.10265	6.1
227.12903	1.7
237.10304	2.6
239.11809	3.4
241.13512	3.6
249.10194	2.2
251.11865	6.2
257.12842	1.3
262.07474	1.9
262.11069	1.2
263.08203	2.9
265.09735	4.6
267.11374	23.3
268.11780	1.5
271.10870	2.7
275.11731	1.6
277.09753	2.2
279.11118	1.7
283.10834	3.7
285.12482	16.2
291.11127	3.2
293.09265	1.2
293.12918	3.4
308.18237	1.1
313.12997	1.2
314.12921	2.3
319.10968	1.6
325.11972	4.2
328.10779	1.9
328.14456	2.6
329.15305	9.0
330.15872	3.7
340.11005	1.9
341.11630	3.6
342.12354	4.2
342.16168	1.7
343.12973	10.4
344.13788	2.2
347.98151	1.4
354.12332	2.8
355.13150	3.3
356.14056	15.1
357.14542	5.0
358.15610	3.8
366.12274	2.4
368.14035	4.0
369.14621	1.8
370.15680	7.1
371.15924	2.6
372.17224	3.6
373.17252	1.3
380.10080	2.0
380.14383	1.4
382.11710	11.8
382.15744	2.4
383.12292	3.7
383.16376	3.6
384.13382	7.3
384.17422	2.3
385.13885	2.6
385.18149	2.2
386.18695	2.0
394.15634	1.3
396.13449	6.5
397.14130	12.1
398.15079	25.7
399.15323	2.8
410.14920	4.9
411.15686	7.6
412.16928	7.1
413.17111	2.3
415.14749	1.6
416.15967	1.7
427.21429	1.4
438.14484	5.0
439.15149	2.6
439.21191	1.5
459.17883	1.8
461.19269	52.3
462.19501	6.7
463.17627	2.1
465.18542	1.3
477.19055	1.3
479.20743	2.4
491.21298	1.5
492.21902	1.6
493.22189	3.3
519.20123	2.4
520.20367	1.5
533.21619	3.3
535.23114	3.4
537.21228	3.4
545.21423	6.3
549.21136	4.9
557.23853	5.5
561.21613	16.7
562.21417	3.8
569.24103	2.8
579.22534	59.6
580.22949	12.0
593.23346	2.1
597.23358	3.7
602.61548	1.5
611.25305	7.0
625.22955	1.8
643.26453	4.5
644.27563	1.5
685.26904	1.4
714.28644	1.7
731.29199	6.9
732.30151	9.7
733.30188	3.2
743.30603	1.7
755.29419	5.6
773.30664	22.0
773.44116	1.3
774.30957	5.7
775.31946	4.3
776.32141	1.9
787.32172	13.9
788.32471	5.0
805.33075	100.0
806.33575	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	805.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.7
61.98838	8.8
67.01908	1.1
68.99829	0.5
69.03439	0.5
69.69193	0.4
71.01379	3.5
72.99303	0.5
73.02941	0.7
75.00898	0.6
80.91695	0.3
81.03470	0.5
83.01408	1.3
85.02978	1.8
87.00903	0.9
88.15341	0.4
88.98815	0.9
89.02473	2.1
93.03490	0.8
95.01436	0.8
95.05022	0.6
99.00890	0.4
101.02454	1.7
107.05061	0.6
108.02190	0.7
109.02966	3.7
111.00913	1.2
113.02473	2.2
115.00395	0.7
119.01424	0.5
119.03552	0.7
119.05044	0.9
121.02986	1.4
123.00915	2.3
123.04565	0.9
124.01712	0.5
125.02489	1.4
127.00369	0.7
131.04980	0.4
133.03035	0.8
134.03754	0.6
135.00990	0.4
135.04535	1.3
136.01674	1.4
137.02473	26.0
138.03224	0.9
139.00424	1.4
139.04059	1.2
143.05167	0.4
145.02982	1.6
147.00900	0.8
147.04543	0.8
148.01656	0.5
149.02472	1.7
149.06093	0.8
150.03258	3.2
151.00407	10.3
151.04045	4.9
152.01205	2.2
152.04813	2.7
153.01950	0.7
153.05638	0.9
159.04575	1.0
160.01628	0.5
161.02425	2.5
162.03197	1.5
163.04073	1.0
164.01178	2.4
164.04790	1.1
165.01964	100.0
165.05597	5.8
166.02748	36.8
166.06342	0.7
167.03484	4.1
173.06110	0.4
175.02519	0.9
175.04037	2.7
176.04611	0.5
177.01996	2.9
177.05666	2.0
178.02699	1.2
179.03537	23.4
179.07088	1.1
180.04315	61.3
181.05095	44.1
182.05406	1.4
184.03819	1.3
187.04039	2.4
189.05559	0.8
190.02679	0.5
190.06380	1.2
191.03526	1.7
191.07198	0.4
192.04295	1.5
193.05096	3.0
194.02264	0.4
194.05888	4.5
195.03033	3.4
195.06654	78.9
196.06978	4.5
202.06438	0.9
203.03737	0.5
204.04454	0.6
205.05067	6.3
205.08652	0.9
207.02927	0.4
207.06601	2.3
209.08142	0.8
210.05367	12.5
211.05812	0.6
219.06656	0.7
220.07402	5.0
221.04674	0.4
221.08139	0.9
225.07703	61.4
226.08037	3.7
227.27066	0.5
235.09732	0.6
281.04645	0.5
296.06821	0.4
311.09317	0.6
329.06778	0.5
337.07236	0.5
345.09726	0.8
355.11511	0.6
356.12708	0.4
357.09546	0.6
357.13657	0.5
359.11368	1.8
362.89523	0.5
369.09705	0.4
371.11383	0.7
372.12009	1.2
385.12735	0.7
386.13821	1.5
387.10742	5.1
387.14655	5.8
388.10797	0.6
388.15207	0.6
399.14548	0.5
402.13190	4.3
403.13873	1.7
415.14227	0.6
416.14722	3.6
417.15564	53.1
418.15973	6.1
521.33167	0.7
535.16779	0.5
550.18457	0.6
565.16675	2.4
580.19800	1.3
587.20190	0.4
595.21881	51.4
596.22168	7.9
613.22894	1.3
625.22736	1.2
629.25891	0.7
631.33160	1.2
643.24078	32.6
644.24316	6.1
661.34637	0.7
805.31799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
58.00594	0.6
59.01380	9.5
61.98832	11.5
62.59293	0.2
69.03454	0.9
71.01387	9.7
72.99316	1.0
73.02958	1.9
75.00868	0.3
81.03471	0.6
83.01411	1.3
83.05029	0.6
85.02956	2.7
87.00887	2.5
88.98833	0.2
89.02454	8.1
91.43895	0.2
95.01417	0.9
97.02982	1.5
99.00896	0.6
99.04510	0.2
101.02457	7.3
102.02712	0.2
109.02947	0.3
111.00921	0.2
111.04489	0.2
111.08112	0.2
113.02467	3.9
119.03529	2.0
125.02470	3.2
127.04030	0.3
128.69940	0.2
129.01880	0.2
129.71884	0.2
130.45647	0.2
131.03502	0.3
133.05096	0.4
139.04016	0.3
143.03520	1.2
151.11235	0.3
153.50670	0.2
155.10776	0.2
161.02522	0.2
161.04552	2.1
163.11259	0.3
165.12859	0.4
167.03496	0.4
167.10764	0.3
167.14406	0.7
171.10297	0.8
179.03391	0.2
179.03967	0.2
179.05626	2.4
181.12448	0.2
183.13918	7.2
184.14243	0.5
193.12366	1.9
199.06219	0.2
207.10274	0.2
209.11861	3.1
210.12277	0.4
211.13405	100.0
212.13748	6.8
217.07153	0.4
221.06685	0.7
225.11418	0.5
225.14929	0.3
227.12982	0.4
229.59062	0.2
235.08221	2.6
235.13318	0.2
245.06766	0.2
253.09291	0.8
259.08252	0.4
263.07755	0.3
287.07751	0.7
289.18103	0.2
305.08728	1.0
307.19070	0.3
307.91119	0.2
323.09857	0.7
325.20212	0.6
341.10785	0.2
341.23431	0.2
363.91238	0.2
379.12469	4.5
380.12741	0.4
387.25626	0.2
397.13522	20.4
398.13861	2.0
405.26459	0.4
415.14557	4.5
416.14999	0.4
429.21121	0.3
499.21921	0.2
510.97314	0.2
560.39313	0.2
591.26569	4.7
592.26935	1.0
609.27747	5.8
610.28320	1.0
674.95581	0.2
770.73248	0.2
785.39703	1.6
786.40222	0.4
803.41992	1.4
804.43158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98832	100.0
62.98537	0.2
70.78336	0.2
80.96542	0.1
93.49814	0.0
211.13417	0.3
212.13806	0.2
213.13979	0.1
277.21698	0.3
278.22015	0.3
279.22571	0.1
465.38516	0.1
520.68030	0.1
602.86230	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.1
59.01374	0.1
61.98833	100.0
62.98574	0.2
62.99269	0.1
69.94459	0.4
69.94878	0.2
71.01406	0.3
82.43787	0.1
89.02415	0.1
116.92915	0.2
121.69703	0.1
125.02470	0.2
196.14287	0.1
197.11819	0.1
207.10229	0.1
209.12025	0.2
211.13472	0.3
212.13757	0.1
227.13060	0.1
295.22842	0.2
296.23181	0.2
310.21133	0.1
313.63068	0.1
367.04459	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
61.98832	100.0
62.98535	0.2
70.86507	0.2
71.01392	0.4
75.00901	0.1
78.95922	0.2
80.96542	0.1
98.20025	0.1
101.03754	0.1
114.81522	0.1
161.02501	0.1
171.10339	0.1
207.10378	0.1
208.10658	0.1
209.11943	0.2
211.13474	0.2
225.11310	0.1
241.91684	0.1
289.18378	0.1
295.22845	0.1
307.19089	0.1
545.69250	0.1
562.39673	0.1
785.10919	0.1
799.17163	0.1
802.48486	0.1
803.38519	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13924	0.1
61.98835	100.0
71.01385	0.1
71.70967	0.1
71.71388	0.2
78.95928	0.1
79.95724	0.1
80.96532	0.3
85.64328	0.1
108.59457	0.1
116.92916	0.1
126.13580	0.1
146.03369	0.1
164.27759	0.1
199.70041	0.1
201.11201	0.1
221.67790	0.1
277.21735	0.1
345.46204	0.1
421.17004	0.1
676.87103	0.1
739.42438	0.1
803.40381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99872	0.3
57.03429	0.6
59.01378	6.8
61.98831	78.5
63.02388	0.9
63.16928	0.3
64.38109	0.3
65.00325	0.9
68.99831	0.5
69.50882	0.3
69.51183	3.5
71.41247	0.3
72.99320	1.0
73.02956	1.2
74.26516	0.4
75.00875	0.6
79.75484	0.4
80.96535	0.7
83.01414	1.3
85.02957	2.6
87.00909	1.1
88.98799	1.7
89.02458	1.5
90.12682	0.3
91.67843	0.3
92.56467	0.3
93.03490	1.4
95.01411	0.7
95.97621	0.5
99.00891	0.6
101.02462	2.0
107.01392	2.3
108.02217	0.7
109.02999	0.4
111.00915	0.7
113.02486	1.8
116.92851	2.3
117.03482	17.1
117.92876	0.7
118.03846	0.4
119.03534	0.7
119.05043	5.9
119.05905	0.5
123.04565	0.7
125.02482	1.1
132.02200	1.1
133.02965	1.1
134.03777	0.5
135.00911	0.9
135.04532	1.1
137.02463	1.1
141.09216	1.1
145.02974	40.6
146.03355	1.8
147.04533	0.7
148.05234	0.5
149.02496	0.5
149.06065	0.3
150.03273	1.0
151.00385	5.1
151.04041	0.7
153.01942	0.7
159.04555	0.8
160.01645	1.0
161.02455	4.0
161.04575	0.7
161.06099	0.4
163.00374	1.6
163.04047	2.7
163.07663	1.0
164.01205	0.6
164.04759	0.6
165.01936	0.7
165.05592	1.2
167.03523	0.5
167.05019	0.5
169.01431	1.3
175.02615	0.5
175.04051	1.1
176.01224	0.5
177.02078	0.4
178.99840	0.7
179.03546	0.6
179.05618	0.4
183.04478	0.6
186.05571	0.4
187.04054	1.5
189.05527	0.6
190.02661	0.4
191.03506	1.0
193.05148	0.7
195.06566	0.4
200.04724	0.4
201.05496	0.4
204.06604	0.5
205.05060	0.6
209.11824	0.7
211.04024	1.5
213.05542	0.6
223.06190	0.5
227.03508	30.4
228.03833	2.6
229.05093	3.9
233.04701	0.5
239.03525	1.2
241.05055	1.0
253.09969	0.4
255.02980	59.1
256.03555	10.0
257.04477	3.5
269.04764	0.5
283.02487	0.9
284.03259	85.6
285.03976	39.1
286.04358	3.5
299.05746	0.5
327.05124	1.4
339.08847	0.7
391.16248	2.4
436.18564	0.4
548.59741	0.4
593.14764	2.0
597.23993	0.8
639.33990	1.0
640.34680	0.6
641.22607	0.4
641.34167	0.4
739.18945	100.0
740.19214	23.5
769.62225	0.5
801.38599	0.5
802.33698	0.7
803.34875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.2
60.84143	0.4
61.98833	100.0
63.62940	0.4
63.99263	0.7
71.01392	2.4
71.71388	0.6
73.02973	0.8
80.02692	0.6
80.96522	0.5
81.03493	0.5
83.01404	0.5
83.05038	1.9
85.02969	0.6
89.02454	2.9
99.00912	0.8
101.02456	1.9
113.02485	0.9
118.32697	0.4
119.03550	0.7
121.03010	0.4
125.09769	1.3
127.11285	1.2
145.05083	0.6
145.51312	0.4
155.10744	0.5
157.84254	0.5
159.54970	0.5
161.04588	1.1
163.11340	1.5
165.12819	0.6
171.10303	0.8
181.12369	1.0
199.13446	1.0
200.16768	0.5
201.11340	22.5
202.11707	1.4
202.86139	0.5
207.10266	1.2
209.11842	52.4
210.12148	3.7
225.11328	1.6
227.12935	7.2
235.08238	4.4
243.12544	0.7
253.09264	7.7
277.21729	58.3
278.22095	7.2
350.50876	0.5
419.19434	1.0
437.20422	1.3
445.20676	2.3
513.30920	1.8
514.31104	0.6
656.31726	0.6
739.42645	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	801.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.1
58.00591	2.8
59.01379	49.4
61.98832	74.1
63.99248	0.8
65.03958	2.7
69.03461	4.8
70.01312	0.8
71.01386	47.2
71.05029	1.1
72.99313	4.9
73.02959	7.2
75.00880	2.1
75.36987	0.8
75.80285	0.8
81.03447	3.1
83.01411	4.5
83.05035	6.7
85.02956	12.9
85.06592	1.8
87.00884	13.1
88.98838	1.4
89.01910	1.6
89.02457	31.8
91.05557	2.0
93.03397	1.2
95.01383	2.7
95.05046	1.4
96.96033	1.1
97.02975	6.3
97.06612	4.3
99.00893	3.3
99.04527	1.1
101.01777	1.5
101.02454	27.0
105.07079	1.2
109.02962	1.9
109.06606	2.7
111.00875	1.9
111.08205	3.9
113.02473	15.8
116.92934	1.2
119.03498	5.3
121.02937	1.7
121.06564	1.4
123.08141	1.4
125.02474	9.8
125.08815	1.0
125.09739	18.3
131.03468	1.9
135.04497	1.1
135.08179	0.9
135.39449	1.0
137.02406	0.9
137.09720	1.3
139.00383	1.3
141.01973	0.9
143.03506	3.6
145.05087	1.6
147.04587	0.8
149.04582	1.1
161.02455	2.2
161.04579	7.2
161.05780	1.1
163.11241	1.3
166.20294	0.7
171.10291	28.7
172.10614	1.3
175.02325	0.8
175.03963	1.0
179.05615	7.8
183.13902	1.3
185.11894	2.4
187.09741	1.7
187.14964	1.2
189.16446	1.7
197.04163	0.8
201.12779	1.0
205.15976	3.5
207.13916	2.0
209.11859	13.7
209.15413	0.8
211.13403	17.2
212.13608	1.2
215.14380	10.7
216.14590	0.9
221.06679	6.9
221.15404	2.0
230.29517	1.1
231.13826	2.7
232.14342	1.0
233.15460	50.4
234.15836	2.9
235.08229	4.5
235.13503	1.0
237.14984	1.3
239.16521	1.2
249.14940	16.6
250.15311	1.3
251.16454	2.8
252.13756	1.0
257.17557	1.6
263.07635	1.6
267.68292	0.8
305.08560	0.9
321.08786	1.1
323.09930	1.0
323.23862	1.0
331.26401	2.9
341.24982	3.7
357.24365	0.9
359.25879	2.5
367.22610	3.3
375.25223	3.2
379.12399	3.5
385.23901	16.6
386.24075	2.0
393.26086	1.9
397.13519	18.5
398.13681	2.1
403.24908	29.9
404.25372	5.5
415.14603	2.5
421.25967	12.8
422.26160	1.3
427.25128	1.2
495.29794	1.1
569.24084	1.3
592.35614	1.1
621.33234	1.2
629.27722	1.4
639.24567	1.4
647.29071	1.0
739.35223	1.5
773.40088	3.3
783.38348	100.0
784.24152	1.6
784.38690	26.0
801.39386	59.2
802.39911	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	800.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96223	0.1
58.28804	0.1
59.01403	0.1
61.98835	100.0
62.98533	0.2
66.20206	0.1
71.01414	0.1
85.02988	0.1
92.76176	0.1
94.34713	0.1
94.86893	0.1
98.20735	0.1
113.27978	0.1
126.82350	0.1
163.78691	0.1
188.34654	0.1
291.55615	0.1
525.91272	0.1
535.69043	0.1
783.53143	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01381	25.7
61.98841	0.8
68.63290	0.4
69.03459	1.4
71.01386	8.7
71.71733	0.7
72.99312	7.8
73.02956	3.0
73.99712	0.4
75.00883	1.8
83.01398	4.3
85.02957	2.7
87.00893	0.8
89.02461	2.2
91.05524	0.5
93.03489	0.6
95.01389	3.4
97.02982	1.0
99.00907	0.7
101.02465	4.0
103.00389	5.7
109.03020	0.6
111.00916	0.7
113.02467	8.6
116.92873	1.5
117.03477	0.6
119.03517	1.4
119.05044	9.5
121.03077	0.6
125.02467	2.4
127.00399	1.0
127.05567	2.0
131.05026	0.7
133.02979	0.5
133.06631	0.9
135.04555	0.9
137.02521	0.9
139.00394	2.6
142.06636	0.8
143.03526	1.4
145.06615	0.8
147.04550	70.9
148.04887	4.2
149.02487	0.7
153.05630	0.6
155.03508	0.8
161.02432	1.4
161.04582	3.2
161.05971	0.8
162.76442	0.5
163.07828	0.4
165.05600	100.0
166.05937	6.4
167.03568	0.6
175.02518	0.8
175.03975	0.5
181.05087	1.2
189.05595	21.9
190.05992	2.0
203.05617	0.5
204.06609	0.8
207.06647	29.6
208.06926	1.5
209.06668	0.4
219.06657	0.5
221.06752	0.9
229.03517	1.5
232.16013	0.5
233.04672	0.5
237.06207	0.5
247.04628	4.3
265.05493	0.5
267.04453	0.4
267.07196	1.7
275.05569	6.2
279.08755	1.9
305.06732	1.3
313.03882	0.6
335.07980	0.5
353.08801	1.9
385.11414	2.9
386.11389	0.7
387.11130	0.4
395.09790	0.9
413.10867	24.1
414.11298	3.3
415.12030	1.8
417.15570	1.7
497.20105	0.5
527.21466	0.8
629.07751	0.5
797.56482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81917	0.3
59.01378	20.2
61.98836	1.2
69.03472	0.3
71.01385	3.0
73.02952	0.8
78.38663	0.3
78.95929	0.8
78.98575	0.4
80.96525	2.6
82.96099	0.3
83.01387	0.4
83.05076	0.4
85.02958	1.0
87.00893	1.0
89.02460	1.8
94.98107	0.8
97.02972	0.4
98.19931	0.8
99.00885	0.4
101.02449	2.5
113.02474	1.5
113.17567	0.3
119.03519	0.6
139.83243	0.2
143.03525	0.3
145.05112	0.6
161.04564	1.2
164.98619	0.4
167.10730	0.3
167.14398	0.6
179.05656	0.4
183.13921	5.0
193.12360	1.5
211.13405	94.2
212.13745	6.0
225.00783	0.9
229.46483	0.3
235.08224	5.0
253.09290	8.8
254.09709	0.5
259.20575	0.4
275.20084	0.5
277.21719	100.0
278.22052	10.1
299.81580	0.3
429.21368	2.9
447.22321	5.9
448.22781	0.6
513.30670	3.3
514.30768	0.6
659.70319	0.3
696.73151	0.3
707.43738	2.0
708.44672	0.3
709.38190	1.0
781.41504	1.0
799.42291	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	799.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.6
59.01382	14.3
61.98835	1.4
69.03469	1.4
69.89417	2.3
69.89831	0.8
71.01380	7.2
72.99314	9.9
73.02956	2.7
77.11449	0.4
81.03461	0.6
83.01395	4.9
85.02966	3.0
85.91632	0.5
87.00890	1.2
89.02443	3.5
93.03489	0.8
95.01410	4.3
97.02975	1.0
98.19839	0.4
99.00882	0.7
101.02458	5.5
103.00386	6.3
108.02264	0.4
109.02996	0.5
111.00872	0.9
113.02472	9.0
115.00390	1.1
119.03529	1.9
119.05048	11.4
125.02477	3.3
127.00412	1.9
127.05562	5.6
131.03551	0.5
131.07146	1.1
133.02962	1.2
135.04536	0.9
137.02457	1.6
139.00400	2.3
142.06642	2.7
143.03526	1.6
143.06947	0.9
145.06610	3.0
147.04543	54.6
147.58055	0.4
148.04871	2.9
150.03253	0.8
151.03992	1.0
154.57982	0.4
155.03545	0.6
161.02480	4.2
161.04558	3.3
163.04053	0.5
165.05589	100.0
166.05942	4.8
173.08215	0.7
175.02473	1.4
179.03568	0.4
179.05673	1.0
181.05035	0.5
185.04546	0.8
186.05594	1.3
189.05591	56.3
190.05977	3.5
191.03493	0.6
203.05598	1.5
204.06667	1.6
205.07027	0.7
207.06638	4.1
209.06705	0.5
221.06729	1.3
229.03580	0.9
233.04506	1.3
237.14087	0.4
246.07698	0.7
247.04582	15.6
248.04816	0.5
257.57559	0.4
275.05603	8.7
305.06680	1.2
305.96936	0.4
353.08667	2.2
395.09741	1.2
413.10889	29.7
414.11096	2.7
609.14685	0.5
799.23633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
61.98834	100.0
62.69816	0.1
62.98539	0.2
62.99265	0.1
71.01404	0.1
71.05053	0.3
78.95961	0.1
83.96009	0.1
95.38553	0.1
104.22609	0.1
111.54456	0.1
127.74127	0.1
171.10303	0.2
201.11447	0.1
204.45871	0.1
209.11810	0.1
211.13512	0.3
224.13852	0.1
225.11397	0.1
253.09151	0.1
263.20273	0.1
277.21857	0.3
278.93774	0.1
293.21173	0.2
460.36368	0.1
479.22629	0.1
798.44672	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	799.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01086	0.7
59.01382	13.2
60.01749	0.4
61.98825	0.6
62.62073	0.3
69.03455	2.0
69.44146	1.5
69.44570	1.6
71.01390	6.8
72.01775	0.3
72.99314	8.1
73.02957	3.5
75.00886	1.1
81.03477	0.5
83.01398	5.5
85.02957	3.0
87.00904	1.1
89.02447	2.0
91.05550	0.5
93.03497	0.4
95.01400	3.3
97.02972	1.2
99.00897	0.9
101.02459	5.5
101.03955	0.3
103.00391	8.3
109.66442	0.3
111.00913	0.5
113.02467	9.8
114.02792	0.5
115.00421	0.5
117.03425	0.3
119.03554	1.0
119.05045	9.7
120.05383	0.4
123.04581	0.4
124.01709	0.3
125.02457	3.3
127.00426	0.7
127.05550	2.7
129.02005	0.6
131.03520	0.4
133.02983	0.4
135.04535	0.7
137.02541	0.4
139.00397	1.9
142.06625	4.7
143.03511	2.1
143.06976	1.2
145.06586	1.5
147.04543	52.9
148.04871	2.2
149.04579	0.7
150.03252	0.5
151.04028	0.5
155.03502	0.6
156.19983	0.3
157.01489	0.6
158.06149	0.8
161.02525	1.9
161.04608	3.1
163.04041	0.8
165.05589	100.0
166.05931	4.6
171.04527	0.3
173.08266	0.3
175.02490	0.4
179.05629	0.4
181.05119	0.6
185.04544	1.0
186.05568	1.6
187.02518	0.5
187.05975	0.4
189.05594	30.8
190.05968	1.7
193.05064	0.6
203.05632	1.0
204.06645	2.7
205.07010	1.2
207.06667	4.6
221.06622	1.2
229.03510	1.4
233.04568	0.6
246.07671	1.8
247.04585	4.9
247.07930	0.7
249.06134	0.9
261.07574	0.4
267.07239	2.3
275.05621	10.5
276.05853	0.9
279.08688	0.7
305.06546	1.6
325.93231	0.3
335.07593	0.4
353.08829	3.2
385.11411	4.2
386.11469	0.4
395.09851	1.3
413.10892	32.8
414.11179	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	797.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01373	0.7
61.98833	2.9
67.01853	0.2
69.03458	0.9
70.90969	0.6
71.01380	0.3
71.05019	1.1
75.79545	0.2
81.03458	0.3
83.05029	0.6
95.05051	0.2
96.95943	0.2
97.02965	4.4
97.06602	0.6
99.04511	0.2
109.06619	0.3
118.63220	0.2
119.08686	0.3
123.08193	0.3
125.06055	0.2
125.09760	1.0
137.09755	1.1
153.12865	0.2
163.11292	1.1
165.09189	0.2
165.12877	2.5
166.10001	0.2
169.56088	0.2
171.10303	2.7
179.14526	0.3
181.12332	0.8
183.13927	0.3
189.12813	0.2
191.14433	0.2
193.12325	0.9
193.15958	0.5
193.94127	0.2
195.13963	0.2
197.11745	0.3
207.10251	0.3
209.11888	1.6
211.13432	0.6
223.13347	0.5
225.11305	0.2
227.12865	1.3
247.20676	2.3
273.18610	0.7
291.19659	23.5
292.19986	2.0
309.20721	57.4
310.21054	5.7
371.29919	0.3
389.28830	0.2
391.29822	0.2
405.31622	0.4
407.33365	1.2
408.33331	0.2
423.32718	0.6
425.34274	1.3
426.34637	0.3
427.32065	1.1
433.50583	0.2
439.32385	0.3
443.35233	0.8
455.31906	0.4
467.31635	0.3
469.33267	12.5
470.33643	2.3
487.34308	100.0
488.34637	17.9
513.31805	0.3
797.42657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01374	9.4
61.98835	5.4
67.56274	1.5
70.22320	3.4
70.22735	4.5
71.01390	17.5
72.99314	5.9
75.00879	17.5
78.95921	6.7
79.95722	1.6
80.96539	2.6
85.02957	16.4
87.00895	6.7
95.01412	4.4
99.00898	8.7
111.08181	2.1
113.02468	14.6
115.88263	1.9
115.93425	1.7
117.01916	3.0
160.55997	1.4
169.12419	1.5
175.02507	2.1
193.84599	1.5
197.11864	8.9
211.13477	7.1
241.01337	1.7
246.55461	1.6
255.23300	63.2
256.23685	6.4
304.37979	1.6
309.20871	2.0
428.80334	1.7
505.30148	1.7
700.55737	1.8
797.51117	100.0
798.51459	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
61.98834	25.0
71.01394	4.8
72.99310	1.9
73.02943	0.7
85.02950	2.5
87.00897	0.6
87.49281	0.6
88.98832	1.7
89.02455	2.9
93.03429	0.7
96.96015	1.0
101.02454	2.6
101.13200	0.5
105.01965	0.6
113.02444	1.8
117.03487	21.8
118.03815	0.8
119.05045	61.5
120.05373	2.3
121.02982	3.6
123.04529	1.5
133.02950	1.3
143.03543	0.7
145.02977	68.3
146.03288	3.1
148.89688	0.5
161.02417	0.8
161.04578	1.2
163.04030	46.3
164.04366	2.5
177.04253	0.6
209.11853	1.1
243.60693	0.6
407.30505	0.6
469.33493	3.2
470.33429	1.0
471.34818	3.9
545.34564	0.7
589.39069	4.7
590.38806	0.9
633.38123	94.4
634.38416	23.1
647.39667	1.0
675.39404	5.4
676.39679	1.3
795.43689	100.0
796.44000	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	795.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98834	26.1
69.14125	1.2
71.01399	3.5
71.19440	1.2
71.71131	1.7
73.02934	1.4
80.93194	1.2
85.03017	1.1
88.98802	5.5
89.02457	1.7
97.02965	1.1
101.02476	1.7
113.02443	1.5
117.03481	18.9
119.05041	27.6
121.02985	1.6
125.02481	1.7
145.02979	79.8
146.03288	4.1
163.04050	12.4
183.69308	1.2
196.00366	1.1
197.11873	1.6
201.11417	1.4
209.11813	3.4
211.13458	1.7
227.12906	1.2
253.09277	1.6
293.21182	4.1
293.46860	1.1
309.20728	2.4
408.29715	1.2
441.33939	1.7
469.33289	4.7
471.34723	1.7
485.32901	8.6
513.32672	3.0
633.38135	100.0
634.38385	21.3
735.46155	1.7
795.43207	35.1
796.43848	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	795.4547
Annotation	Jujubasaponin VI
Peak:m/z	Relative Intensity
57.03453	2.6
58.00600	3.2
59.01382	49.3
60.01722	0.6
60.99306	2.1
61.98836	2.7
67.01901	0.2
68.99841	0.2
69.03458	1.5
71.01389	33.9
72.01733	0.5
72.28987	0.1
72.99317	4.2
73.02956	10.9
74.03304	0.2
75.00872	0.4
81.03466	0.6
83.01397	5.6
83.05038	0.3
84.01713	0.2
84.02180	0.2
85.02962	19.6
86.00102	2.3
86.03309	0.4
87.00888	4.1
87.04527	0.4
88.98821	11.0
89.02457	9.7
89.99138	0.2
90.02800	0.2
94.93559	0.1
95.01399	3.9
96.01753	0.1
97.02964	3.5
99.00896	2.5
99.04540	0.4
101.02460	28.4
102.02808	0.6
103.04027	5.1
109.02974	0.3
111.00896	0.5
112.01690	1.4
113.02469	11.1
114.02761	0.3
115.04030	0.7
119.03511	1.9
124.01685	0.3
125.02469	1.3
127.04043	0.5
129.01958	0.2
131.03520	0.8
142.02567	0.2
143.03525	2.2
144.03860	0.2
145.05115	0.4
160.01746	0.2
161.04590	7.8
161.36136	0.1
162.04919	0.2
163.06137	1.9
171.10347	0.2
205.07266	0.2
229.61530	0.2
307.10257	0.3
429.29980	0.3
471.34760	1.4
472.35123	0.3
485.32693	0.4
529.35461	0.2
557.36066	0.1
583.36591	0.4
649.39673	11.2
650.40057	2.0
667.39667	0.2
674.95740	0.1
735.38568	0.9
736.38611	0.2
749.84283	0.2
795.45612	100.0
796.45966	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	793.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39840	0.3
58.83960	0.3
59.01381	0.6
60.99311	1.3
61.98835	3.5
71.01367	0.3
71.71066	0.4
71.71456	0.4
88.92513	0.3
88.98859	0.3
97.06606	0.6
113.02407	0.3
116.92873	0.9
165.12875	0.8
181.12381	0.5
183.61513	0.3
191.10776	0.4
209.11858	3.6
211.13480	0.4
227.12875	0.3
234.57111	0.3
245.18983	0.3
289.17969	0.6
307.19128	2.6
308.19528	0.4
423.32724	10.3
424.32932	1.9
439.32242	0.3
485.32715	100.0
486.33044	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	794.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.7
60.16001	3.1
60.27341	3.7
61.87502	3.0
61.93059	3.1
61.98835	88.2
69.67568	21.4
69.67988	6.9
71.01392	16.0
72.99311	11.7
75.00877	17.5
77.59971	3.4
78.95902	9.3
80.96515	18.4
85.02966	19.7
87.00896	8.2
95.01395	5.6
95.95738	3.5
99.00871	10.1
99.30872	3.5
113.02496	20.1
117.53198	3.0
123.78603	3.4
134.97528	3.6
152.99590	9.6
175.02528	4.6
211.13397	29.4
225.00751	5.3
249.06195	4.3
255.20624	4.0
255.23276	73.5
256.23569	6.6
359.12708	3.6
504.09805	3.2
699.43512	32.3
700.44745	4.4
731.46167	100.0
732.46136	27.4
771.54114	3.3
794.47382	18.0
795.48846	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	793.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.3
61.98816	2.6
69.58757	3.6
69.59174	0.9
71.01391	2.5
73.02947	1.5
83.01406	1.2
85.02950	0.7
89.02455	0.6
94.06644	1.0
98.19870	1.0
101.02447	1.1
105.05888	0.6
107.03786	1.8
110.06123	3.4
113.02459	0.5
120.08215	14.2
121.05340	1.9
122.06139	35.0
123.06472	1.2
134.06145	2.4
136.07671	1.8
144.04562	2.7
146.06131	0.6
150.03134	0.5
160.04080	1.0
162.05612	0.9
164.07161	1.8
172.04024	0.5
174.05595	3.5
188.03479	1.7
188.07208	0.8
203.05933	5.1
204.06541	1.5
204.40051	0.6
209.10838	0.8
215.11902	1.5
223.08765	2.1
224.09456	0.6
236.09531	2.3
237.10283	4.4
238.10719	1.0
239.11969	1.0
241.13449	1.8
243.14970	0.8
249.10260	1.7
249.13914	1.2
250.11075	1.6
251.11879	14.6
252.12424	2.7
253.09682	0.7
262.07288	0.7
262.11053	0.7
263.08264	2.8
263.11716	2.9
264.08972	3.0
264.12589	0.6
265.09787	2.3
265.13379	2.5
266.10501	0.9
266.14023	0.7
267.11441	1.1
268.08502	1.1
269.12842	1.4
275.08450	1.2
275.11697	0.9
276.09030	3.8
277.09827	15.7
277.12872	0.8
278.10422	5.0
279.11298	3.4
280.12091	1.2
281.09244	1.2
282.10040	1.3
283.10828	2.1
287.14063	1.4
290.10602	1.9
291.11392	17.3
292.12158	17.1
293.09470	0.7
293.12872	12.8
294.13458	1.6
295.10907	1.6
296.11835	0.6
307.10880	0.8
310.09641	1.0
311.10455	0.7
313.11911	1.7
314.12146	0.5
315.11243	0.7
316.12228	1.6
318.10162	2.8
318.13354	0.6
319.10800	1.7
324.11258	2.9
325.11923	1.7
326.12668	0.9
335.10373	8.1
336.11118	10.0
337.11923	4.7
338.12393	1.3
343.12848	1.3
344.13977	0.9
345.15054	0.6
346.15521	0.9
358.15656	1.5
359.16327	0.8
360.10938	0.8
360.17191	2.0
370.19299	0.7
372.17191	6.1
373.17758	1.2
374.18930	2.7
386.15182	1.9
398.15146	0.9
399.15897	1.8
400.16699	3.7
402.18280	2.0
403.18701	0.9
404.15921	0.9
405.16769	1.0
406.17667	2.0
413.17325	0.8
414.18246	8.8
415.18747	4.2
418.17773	6.3
432.19159	3.2
433.20142	0.9
436.18689	1.8
440.16269	1.0
441.16772	1.4
447.17816	1.3
458.16953	4.6
459.17984	3.9
460.18604	2.0
476.18356	6.0
477.19061	3.4
478.19266	1.3
481.22632	0.8
490.19690	4.6
491.20685	0.9
495.23993	1.9
508.20847	19.5
509.21371	4.1
532.20831	3.2
537.24756	2.9
550.21790	3.9
551.22253	1.4
555.26196	3.8
556.26373	0.7
563.22894	0.8
569.24469	1.2
581.24066	8.5
582.24286	1.2
599.25122	29.7
600.25464	5.5
601.26697	2.4
613.26782	12.1
614.27313	2.4
631.27863	100.0
632.28223	23.4
643.27759	1.2
655.28046	2.5
656.27759	0.7
673.28961	23.4
674.29199	6.4
761.30927	1.7
793.33344	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	793.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
61.98833	3.5
66.62946	0.5
69.58764	3.8
69.59180	0.8
71.01383	3.0
73.02934	2.1
73.73094	0.5
89.02448	0.5
94.06614	1.2
98.20603	1.0
101.02409	1.1
103.29030	0.6
107.03778	2.0
110.06116	2.9
120.08197	12.1
121.05357	1.8
122.06138	34.3
123.06438	1.2
125.85143	0.5
134.06152	2.1
135.69162	0.6
136.07715	1.1
137.04845	0.8
144.04544	2.5
146.06180	0.6
152.07150	0.7
160.04022	0.7
161.02481	0.6
161.04765	0.6
162.05579	2.0
164.07156	1.9
174.05623	3.1
188.03514	1.3
193.05063	0.7
200.07159	0.7
203.05887	5.3
204.06624	1.5
209.10805	1.2
215.11867	1.1
223.08791	1.3
224.09505	0.7
225.13977	0.9
236.09529	2.3
237.10286	3.7
238.11052	1.1
239.11826	1.8
241.13510	1.5
243.15121	0.7
249.10271	1.5
249.13925	1.2
250.11052	1.1
251.08014	0.7
251.11896	13.0
252.12402	2.0
253.09755	1.2
253.13394	0.9
254.67590	0.5
261.10059	0.6
262.07468	1.0
262.10980	0.7
263.08218	3.3
263.11887	2.0
264.08954	4.1
264.11990	0.9
265.09732	2.4
265.13397	1.9
266.07162	0.5
266.10522	1.0
267.07672	0.6
267.11145	0.7
269.12863	1.1
275.08270	1.2
275.11774	0.9
276.09006	3.1
277.09818	14.6
278.10477	5.0
279.11301	3.4
281.09277	0.9
282.09946	1.0
283.10779	2.1
285.12460	0.6
287.14261	1.1
290.10626	2.0
291.11386	15.0
292.12143	15.4
293.09512	0.6
293.12833	9.7
294.10196	0.7
294.13336	1.7
295.10873	1.6
295.14423	0.6
296.11353	1.3
297.12543	0.8
300.02899	0.7
309.08960	0.8
309.12451	1.0
310.09442	0.9
311.10251	0.9
313.11856	1.3
315.11371	0.7
316.11969	1.0
318.09998	3.4
319.10815	1.6
323.10120	1.0
324.11008	2.5
325.11850	2.0
327.12967	0.6
335.10403	8.2
336.07376	0.9
336.11130	7.6
337.11813	3.9
343.13095	1.4
344.14063	1.0
357.15024	0.6
358.11584	0.6
358.15665	1.7
360.11197	0.7
360.17020	1.7
361.17834	0.7
366.13055	0.7
372.13370	0.7
372.17221	5.7
373.17682	2.0
374.18680	2.0
375.19196	0.7
378.12238	0.7
378.31488	0.6
384.13309	0.9
386.15207	1.6
387.15616	0.8
390.18295	1.1
399.15570	1.4
400.16586	2.2
402.18225	2.4
403.18979	0.9
404.15927	0.7
405.16928	0.9
406.17712	1.7
414.18365	8.5
415.18997	4.3
416.20047	0.7
418.17645	4.9
419.18213	0.9
432.19464	4.3
433.19662	1.2
436.18829	1.3
440.16122	1.6
441.16861	1.0
447.17661	1.1
458.17139	3.7
459.17886	3.7
460.18665	2.3
470.21426	0.6
472.18613	0.9
476.18161	6.1
477.18976	3.7
478.19846	1.4
490.19693	5.1
491.20313	0.7
495.23926	1.4
502.19928	0.8
508.20847	19.7
509.21063	3.9
513.24786	1.3
514.19733	0.9
518.19458	0.7
522.22595	0.7
532.21088	3.3
537.24860	2.3
550.21991	4.6
551.22272	1.1
555.25977	3.8
563.23181	0.9
569.24078	1.1
581.24017	7.1
582.24536	1.5
599.25073	29.5
600.25500	6.7
601.27130	1.7
613.26898	10.5
614.26880	2.3
631.27850	100.0
632.28162	24.9
643.28040	1.1
655.27863	4.0
656.27429	0.8
673.28992	28.3
674.29370	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	791.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.1
61.98834	62.1
71.01396	9.4
72.99338	2.1
73.02944	2.9
83.05020	4.7
85.02959	2.8
88.17024	1.6
88.98826	2.2
89.02438	3.0
90.34369	1.7
97.02962	2.0
101.02451	4.1
111.00880	2.5
111.08183	2.4
115.37110	1.6
116.92880	11.0
127.04012	3.8
133.02945	3.1
161.02477	7.8
161.04536	3.3
163.11293	2.6
165.05534	2.9
165.12827	3.4
171.10274	3.8
197.11806	12.2
199.13399	2.1
209.11850	100.0
210.12170	8.2
211.13359	5.4
225.11304	3.4
227.12898	29.7
228.13193	2.6
235.08180	7.5
253.09294	18.1
291.19675	21.0
309.20728	77.4
310.21075	7.8
445.20624	7.2
487.34326	2.5
527.28754	2.6
545.29315	7.0
585.40186	2.7
639.14697	2.0
647.37341	2.4
791.40240	64.8
792.40533	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	791.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28120	5.6
59.01374	4.8
61.98829	97.8
63.99256	7.8
70.55519	15.3
71.06618	5.6
78.95895	6.8
88.66090	5.8
117.26440	5.9
126.27780	6.3
165.16191	5.2
185.49620	5.5
209.11829	84.6
210.12192	9.0
227.12816	19.7
235.08279	11.2
253.09354	10.4
266.63757	6.6
277.21793	100.0
278.21939	7.4
284.66681	7.8
291.53336	5.8
445.20462	11.2
791.43225	40.0
792.43494	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68745	0.1
61.98834	1.3
70.01112	0.6
70.98348	0.1
71.01369	0.2
71.05035	0.7
81.29584	0.1
83.05048	0.2
116.92899	0.2
137.09735	0.2
149.87291	0.1
168.13916	0.2
202.92366	0.1
209.11877	0.7
253.09201	0.3
293.21252	0.2
309.20737	0.4
310.21069	0.2
371.29745	0.2
377.28680	0.2
391.30157	0.2
403.30396	0.1
405.31439	0.3
407.33231	0.9
408.34045	0.2
421.30820	0.1
423.32724	0.5
425.34332	0.9
426.34738	0.3
427.32056	0.8
428.32602	0.2
437.30649	0.2
439.31982	0.3
443.35403	0.5
444.35315	0.2
469.33224	11.7
470.33557	2.1
487.34262	100.0
488.34625	18.4
513.32111	0.4
792.40179	0.3
793.41156	0.4
812.91498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03445	0.6
59.01386	2.5
61.98832	7.3
69.03478	0.4
71.01387	3.8
71.70388	0.6
71.70750	0.4
73.02965	1.2
83.01396	0.8
85.02975	1.7
87.00903	0.7
89.02455	0.9
95.01392	0.6
101.02454	2.5
105.03498	0.4
107.05063	0.4
113.02465	1.2
116.92919	2.0
117.01947	0.4
117.03490	1.7
117.45176	0.4
117.92964	0.4
123.04520	0.6
132.02171	2.0
133.02983	35.2
134.03349	1.0
135.04552	13.2
142.06598	0.5
161.02470	100.0
162.02795	5.0
171.10316	1.3
179.03526	6.6
179.04939	0.6
190.02719	0.6
201.11319	0.8
205.05122	0.8
209.11810	1.4
211.13516	0.8
221.04501	0.4
223.06160	0.5
253.09294	0.4
261.60059	0.4
309.21088	0.4
318.50089	0.3
327.21844	0.7
557.46393	0.4
612.37469	0.5
791.38879	52.0
792.39215	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	791.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03440	0.2
59.01380	1.7
61.98832	1.6
70.72979	0.5
71.01391	2.3
72.99327	0.1
73.02962	0.9
83.01394	0.5
85.02950	1.5
87.00904	0.4
89.02459	0.5
95.01405	0.2
99.00867	0.2
101.02459	2.0
105.03483	0.6
107.05042	0.3
113.02487	0.9
115.01913	0.2
116.92866	0.4
117.03499	1.7
119.03490	0.1
122.79139	0.2
123.04564	0.5
125.02407	0.2
127.63322	0.1
132.02196	1.8
133.02977	35.2
134.03368	1.1
135.04549	11.9
136.04880	0.5
137.02449	0.2
159.04449	0.2
161.02467	100.0
162.02803	5.2
163.03973	0.4
177.05560	0.3
179.03517	7.2
180.03864	0.4
189.40494	0.1
211.13432	0.2
221.04565	0.3
276.06018	0.1
288.45789	0.2
323.07639	0.3
458.33405	0.1
791.38892	48.2
792.39203	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	791.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.8
61.98835	29.5
70.75503	1.5
71.01393	4.5
73.02946	4.6
76.31258	0.5
83.01409	2.9
83.01802	0.4
85.02957	0.6
85.70089	0.5
87.00873	0.6
89.02463	0.6
93.03491	0.5
94.06689	0.8
99.00882	0.9
101.02455	2.1
110.06141	2.9
111.83447	0.4
113.02454	1.7
120.08205	1.0
121.05355	1.3
122.06138	10.5
134.06181	3.9
144.04594	2.3
146.06154	0.7
158.06128	0.7
160.04076	0.9
160.06468	3.0
161.04785	1.1
162.05673	1.2
174.05669	3.8
186.05659	0.6
187.06369	0.5
188.03578	0.5
197.07210	0.5
201.10297	0.6
203.05989	3.3
203.11801	0.7
204.06590	3.5
211.08711	0.6
213.10367	15.7
214.10701	1.1
215.11903	1.3
223.08727	1.0
225.10306	2.4
226.11116	1.7
227.11905	1.3
239.11919	9.7
240.12291	0.9
241.13506	8.8
242.13736	0.7
249.10339	0.8
251.08244	0.7
251.11902	2.5
263.08295	0.6
263.11792	0.5
265.09784	0.9
267.11389	5.3
268.11707	0.7
271.10730	0.8
275.11880	0.6
276.09076	0.5
277.09830	0.9
278.10818	0.7
279.11362	0.4
281.09375	0.8
283.10852	3.0
285.12463	46.9
286.12787	4.1
291.11533	1.2
293.09592	0.8
293.12854	4.4
297.12189	0.7
301.11923	0.8
311.10291	0.7
313.12323	0.8
314.12930	1.9
318.16089	0.7
319.10986	0.5
325.11975	1.1
327.13559	3.8
328.10901	1.8
328.14435	1.1
329.15335	4.9
330.15942	1.9
332.00540	0.5
338.13214	0.5
340.14716	0.5
341.11716	1.2
342.12384	1.6
342.16174	1.2
343.13168	3.1
343.16895	0.9
344.13879	1.2
344.17728	1.7
345.18384	1.4
346.43250	0.5
354.12436	1.0
354.16324	1.6
355.13135	1.1
356.14136	7.0
357.14584	2.0
358.15643	1.0
368.13895	0.9
368.17847	1.5
369.14691	0.9
370.11475	0.7
370.15701	9.2
371.16281	2.3
372.17279	4.0
380.14127	0.7
381.15070	0.6
382.11890	1.5
383.12610	0.7
384.13293	2.5
384.17767	0.8
385.14066	2.1
385.18332	1.1
386.18732	0.5
389.13492	0.6
394.15826	0.6
396.13397	2.7
397.14279	3.3
398.15137	9.9
399.15628	1.8
403.15466	2.0
411.15823	2.7
412.16730	6.3
413.17398	5.9
414.18124	0.8
416.16208	1.3
430.17999	0.6
438.14462	1.4
439.21350	0.8
445.16348	0.6
451.21564	0.8
457.16345	0.9
458.17209	0.6
463.18048	0.7
469.22330	0.7
479.20862	0.7
481.22507	1.3
485.25690	0.6
492.21304	0.6
493.22617	3.1
494.22473	0.8
511.23819	2.4
517.22375	0.6
519.20428	0.7
523.23621	0.9
525.21167	0.9
533.21686	0.7
535.23395	5.5
536.23328	0.9
553.24536	13.1
553.32721	1.0
554.24884	2.6
557.23846	1.5
561.21387	2.2
567.22430	0.5
569.23987	0.6
579.22607	10.0
580.22784	2.3
597.23602	43.1
598.24048	8.6
599.24780	0.9
611.25336	8.1
612.25537	2.0
621.24109	1.1
629.26324	100.0
630.26697	22.0
639.24860	2.1
640.25458	0.6
653.26135	1.7
671.27325	31.6
672.27618	7.7
791.38501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07827	0.2
59.01377	42.2
60.01712	0.4
61.98837	0.3
64.42496	0.3
70.73840	0.8
70.74235	0.4
71.01392	0.6
72.99305	4.4
74.85074	0.2
89.02456	0.6
93.03507	0.4
101.02418	0.3
103.05553	0.4
117.03519	0.4
117.58047	0.2
119.05042	6.2
125.02505	0.3
133.02983	2.9
134.03720	0.4
135.04533	2.7
145.02943	0.3
147.04538	100.0
148.04858	6.2
149.06104	0.4
161.02467	9.6
162.02975	0.7
163.03992	0.5
165.05583	83.9
166.05916	4.8
169.14717	0.3
175.04089	0.3
177.05565	0.6
179.03510	2.1
180.04105	0.3
193.04956	0.4
207.06631	56.3
208.06984	3.5
217.49998	0.2
221.04597	0.4
251.05608	0.5
261.12558	0.3
272.25964	0.2
273.84827	0.2
281.06741	1.1
424.68250	0.3
459.91913	0.3
519.14972	3.6
520.15417	0.7
537.16040	8.5
538.09753	0.3
538.16473	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	791.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
61.98837	17.0
67.01879	0.5
67.03664	0.4
68.99799	0.5
69.03459	0.6
71.01392	5.0
73.02948	5.0
83.01395	3.7
85.02946	1.6
89.02460	1.2
94.06600	1.0
94.38923	0.4
95.01389	0.9
99.00909	1.1
101.02467	2.7
105.70648	0.4
106.06643	0.6
110.06139	2.9
111.00880	0.6
113.02448	1.9
120.04592	0.8
120.08213	1.0
121.05344	1.3
122.06145	11.2
125.02480	1.3
127.00402	0.8
130.06656	0.8
134.06143	4.0
139.00444	0.7
144.04565	1.7
146.06094	0.7
150.05632	0.9
157.01451	0.6
160.04088	0.8
160.06435	2.5
161.02513	0.8
161.04744	1.0
162.05606	1.3
165.05583	0.8
174.05629	4.6
187.02444	0.6
187.06351	0.7
188.03517	1.1
197.07280	0.6
203.05882	4.0
203.11928	1.2
213.10367	16.4
214.10652	1.3
215.11891	1.9
223.08751	0.7
225.10292	2.3
226.11008	1.4
227.11961	0.8
235.08731	0.5
237.10324	1.0
239.09587	0.8
239.11917	9.1
240.12320	1.2
241.13446	8.2
242.13866	0.5
247.08510	0.5
249.10248	0.6
251.11952	2.7
253.13454	0.6
263.07910	0.6
263.11978	0.8
265.09903	1.1
265.13187	0.8
267.11371	5.8
268.11673	0.5
271.10651	0.8
278.10388	0.7
279.11490	1.2
281.09348	0.8
281.12888	0.7
282.10049	0.4
283.10861	2.4
285.12451	45.9
286.12836	4.5
291.11398	0.9
293.12939	4.1
294.13501	0.5
301.12045	0.9
302.12732	0.5
309.12671	0.5
311.10168	0.7
313.12277	0.5
314.12976	1.4
315.13834	0.8
317.15210	0.6
318.16223	0.6
319.11044	0.6
325.11929	1.4
327.09778	0.8
327.13519	7.2
328.10757	1.6
328.14252	1.4
329.15378	4.0
330.16043	2.0
339.09930	0.6
340.14651	0.5
341.11755	0.6
342.12442	1.6
342.16217	0.9
343.13120	5.0
344.14124	0.8
344.17526	2.3
345.18414	0.9
352.14566	1.0
354.12326	1.1
354.16144	1.6
355.13028	0.9
356.14084	7.3
357.14615	2.1
358.15482	1.2
368.13831	0.9
368.17743	1.5
369.14566	1.3
369.18689	0.7
370.11505	0.9
370.15656	9.6
370.20026	0.8
371.16309	3.0
372.17096	3.4
373.17691	0.5
380.09604	0.4
380.14075	0.6
381.11108	0.6
382.11923	1.6
383.12225	0.8
384.13324	3.1
384.17847	0.9
385.14139	1.5
385.18109	1.4
386.14413	0.7
387.20105	0.5
394.15799	0.6
396.13333	2.1
397.14084	2.6
398.15179	9.7
399.15564	1.9
403.15475	2.2
410.14969	0.8
411.15906	2.3
412.16663	6.3
413.17456	5.3
414.18060	1.3
416.16055	1.8
428.16437	0.6
429.13358	0.9
432.19373	0.7
438.14337	1.0
439.15503	0.9
439.21616	1.1
445.16330	0.8
451.21136	1.0
458.17508	1.0
469.22507	0.6
479.20486	0.8
481.22592	1.5
493.22397	3.5
494.22922	0.7
507.35461	1.2
511.23593	2.5
517.22302	0.7
519.20746	0.5
523.23053	0.8
535.23688	4.3
536.23761	1.0
537.21112	0.5
553.24542	13.6
554.25006	2.3
556.23224	0.7
557.24017	1.0
561.14349	0.5
561.21655	3.5
567.22375	0.7
579.22589	9.4
580.22687	1.8
597.23596	38.1
598.23981	7.0
603.21692	0.6
611.25269	7.8
612.25769	2.1
617.35559	2.0
621.23163	1.2
629.26331	100.0
630.26660	21.0
639.24603	1.8
647.36975	1.4
653.26477	2.0
671.27313	40.3
672.27728	9.0
701.28046	0.9
731.29071	1.2
791.37079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98523	0.2
63.99250	0.2
70.13493	0.1
71.71263	0.2
80.96523	0.3
143.88326	0.2
174.61227	0.1
268.68674	0.1
278.22119	0.2
423.21518	0.2
482.89551	0.1
495.49207	0.1
722.97784	0.1
789.40729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.1
61.98833	100.0
62.98541	0.1
63.99270	0.3
70.70453	0.1
80.96534	0.2
87.79883	0.1
91.71483	0.1
140.93524	0.1
196.42371	0.1
277.21722	0.1
278.22137	0.1
370.78885	0.1
429.40244	0.1
451.85785	0.1
689.65399	0.1
709.62708	0.1
728.60498	0.1
789.40387	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.3
59.01378	43.4
60.01709	0.3
61.98834	0.4
65.40060	0.2
69.47440	2.5
71.01375	1.2
72.99317	4.2
83.01433	0.3
85.02964	0.5
87.00916	0.4
89.02467	0.4
89.95551	0.3
91.05535	0.4
101.02444	0.5
103.05546	0.4
113.02445	0.6
116.62517	0.3
117.03487	0.7
119.05048	6.2
121.02974	0.3
123.04542	0.5
132.02193	0.3
133.02979	9.2
135.04552	6.0
137.02457	0.6
145.03014	1.3
146.03777	0.3
147.04546	100.0
148.04871	5.0
149.02487	0.5
149.06114	0.8
155.49513	0.3
160.01747	0.3
161.02472	28.4
162.03094	1.8
163.04008	0.9
165.05592	88.9
166.05933	4.3
175.04028	0.6
177.05579	1.6
179.03528	6.4
180.04280	0.3
193.05046	0.5
195.06654	0.7
199.09795	0.3
207.06639	65.6
208.07010	4.2
213.20244	0.3
221.04555	2.4
235.06071	0.4
251.05525	1.3
263.91589	0.3
281.06613	2.1
323.07675	0.3
341.08752	0.8
487.54044	0.3
519.15033	10.8
520.15375	1.6
537.16077	22.8
538.16241	3.1
542.01605	0.3
769.59424	0.3
789.31152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98540	0.1
71.35430	0.3
74.16150	0.1
77.82235	0.1
80.96515	0.3
112.48215	0.1
139.55872	0.1
173.50633	0.1
203.21017	0.1
267.37646	0.1
442.62485	0.1
455.35333	0.2
789.40948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03438	0.7
57.14300	0.2
57.41631	0.2
59.01378	3.7
61.98836	4.4
66.61203	0.2
69.03463	0.8
69.55257	0.2
69.88721	1.2
71.01388	5.2
72.99306	0.4
73.02948	0.8
80.02681	1.5
81.03461	1.1
83.01412	0.5
83.05038	4.3
84.02170	0.6
85.02963	1.0
87.00875	1.0
89.02454	2.6
93.03473	0.3
95.01405	0.3
95.05036	0.7
96.96020	0.3
97.02966	1.7
97.06609	0.6
99.00896	0.2
101.02463	2.9
109.06610	0.6
111.08174	3.0
113.02480	1.4
113.06103	0.2
116.92907	0.5
119.03526	0.7
125.06120	0.7
125.09762	0.7
127.07713	0.2
131.03549	0.2
135.08220	0.6
137.09767	0.6
145.05069	0.3
147.11833	0.3
149.26421	0.2
151.11333	0.3
153.12891	0.4
161.04578	1.5
163.11316	3.6
165.09154	0.2
165.12856	3.8
169.12378	2.4
171.10286	2.6
179.05620	0.4
179.14497	0.3
181.12343	1.2
183.13936	0.4
185.11905	0.4
191.10793	0.5
193.12364	0.5
193.16002	0.4
197.11847	12.1
198.12187	0.7
199.09921	0.2
199.13414	1.0
201.11298	0.5
207.10229	0.6
209.11842	100.0
210.12183	7.0
211.13393	3.1
223.13547	0.2
225.11342	0.6
227.12891	12.9
228.13103	1.1
235.08228	3.8
236.08536	0.3
247.20621	1.0
253.09291	11.5
254.09641	0.7
263.20108	0.8
265.18152	0.3
273.18610	0.7
289.18094	0.8
291.19656	16.0
292.19998	1.8
300.62372	0.2
304.62329	0.2
307.19156	0.6
309.20728	41.6
310.21088	4.5
415.09451	0.2
433.20859	0.3
445.20831	2.2
446.21216	0.4
485.73416	0.2
501.32260	0.5
527.28412	0.6
545.29645	1.5
546.29889	0.4
751.39050	0.4
769.40674	0.6
787.42151	0.5
788.42590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00581	0.5
59.01385	16.1
60.99317	0.9
61.98835	65.0
65.00321	1.1
66.74967	0.5
68.32897	0.5
71.01392	11.9
71.71323	0.9
72.99324	2.0
73.02965	2.3
75.00875	0.8
77.75286	0.5
79.95752	0.7
80.96551	1.3
83.01406	2.0
85.02961	5.5
87.00897	2.2
87.04517	0.9
88.98815	4.4
89.02467	7.8
89.03955	0.5
91.01926	2.4
93.03470	2.7
95.01412	1.5
97.02995	0.8
99.00909	1.4
101.02457	7.3
105.70238	0.6
106.06653	1.1
107.05029	0.8
111.00912	1.7
113.02459	5.8
116.92863	3.1
118.14099	0.5
119.01408	7.9
119.03531	2.3
119.05035	1.5
121.02983	9.6
121.03835	0.7
123.04539	0.8
123.08183	3.6
125.02516	1.2
129.01974	0.6
131.03561	0.9
132.02232	1.4
133.02977	2.0
134.03741	2.5
135.04568	4.1
137.02505	2.1
138.03297	1.1
139.00433	0.9
139.03987	1.0
145.03003	1.6
147.00891	6.2
147.04527	4.1
148.01599	0.9
149.02470	47.7
150.03256	7.9
151.00372	0.9
151.04002	1.6
151.11325	0.7
152.01154	1.9
159.04541	0.9
160.01669	1.5
161.02473	5.6
161.04594	1.4
162.03215	1.3
163.04027	6.4
164.04822	34.8
165.01968	4.3
165.05589	7.6
165.12846	1.3
166.02748	0.9
167.03590	0.9
169.05142	0.7
173.02547	0.9
174.03201	0.7
175.00388	48.0
175.03799	3.2
176.01106	5.3
177.01910	1.7
177.05563	3.4
178.06288	1.4
179.03535	1.4
179.05627	1.3
179.07144	4.7
180.04384	0.6
181.05203	1.2
187.03967	1.3
188.04782	1.3
189.01904	1.1
189.05643	1.7
190.02740	100.0
190.06351	2.3
191.03423	12.2
191.07141	1.7
192.04239	0.8
193.01422	2.1
193.05077	1.9
194.02206	1.0
195.06598	4.1
203.07112	2.4
204.04323	1.3
205.05075	89.6
206.05721	12.6
207.03018	1.9
207.06570	1.7
207.10277	1.5
208.03798	6.4
209.04549	3.5
209.11821	2.8
211.07619	1.8
217.08482	0.8
220.07391	1.3
221.04742	0.6
221.08208	9.6
222.05292	0.8
223.06128	48.6
224.06421	2.9
235.02551	0.9
237.07655	3.4
247.05984	0.8
250.04800	1.7
251.05470	1.0
253.10760	1.3
265.07166	32.7
266.07504	2.2
295.05304	0.9
295.08261	9.5
311.07718	0.7
325.09302	11.6
326.09604	1.6
341.10168	1.1
356.12802	0.9
367.10428	1.6
371.10974	0.8
385.11398	5.3
387.14313	1.7
389.16187	1.0
401.16068	6.3
402.16498	0.8
419.13434	4.2
455.18964	0.7
461.14288	1.9
521.16333	0.8
537.32062	0.6
549.19757	2.0
563.20935	1.3
751.36243	0.8
787.28369	64.2
788.28662	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	786.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
60.99321	0.1
61.98835	100.0
62.98537	0.2
62.99262	0.1
71.01409	0.2
71.03492	0.1
72.99320	0.1
73.02948	0.1
78.95925	0.0
80.96526	0.0
83.01395	0.0
83.05071	0.0
85.02979	0.1
85.11435	0.0
87.00914	0.1
88.98849	0.3
89.02469	0.1
96.96110	0.1
99.00916	0.1
101.02476	0.2
111.00864	0.2
113.02486	0.1
116.92920	0.2
119.03479	0.0
119.05025	0.0
121.02947	0.0
125.02515	0.1
132.02177	0.0
133.03014	0.1
134.03790	0.1
135.04607	0.1
145.03033	0.1
147.04565	0.1
156.00729	0.1
161.02531	0.2
161.04558	0.1
163.04034	0.1
164.04797	0.1
165.05641	0.1
173.00941	0.1
174.01741	0.1
175.00394	0.1
175.04108	0.1
179.58089	0.0
181.78726	0.0
190.02779	0.1
191.03369	0.0
209.11971	0.1
445.40085	0.0
445.46307	0.0
786.37311	0.1
787.33966	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	786.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
59.42485	0.1
61.98832	100.0
62.98539	0.2
71.72130	0.1
71.95202	0.1
78.95957	0.1
80.96535	0.2
87.00895	0.1
94.98175	0.1
103.51716	0.1
116.92928	0.1
123.42602	0.0
128.63029	0.1
185.11945	0.1
198.80792	0.0
209.11894	0.1
210.12155	0.1
222.03749	0.1
277.21808	0.2
278.22125	0.2
288.67001	0.1
303.64734	0.1
393.43292	0.1
402.64554	0.1
787.39948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91682	0.1
61.98833	100.0
62.05850	0.1
62.98537	0.1
71.01370	0.1
71.29420	0.1
71.29770	0.1
74.23299	0.0
78.95932	0.1
80.96518	0.1
94.98122	0.0
181.53204	0.0
197.84688	0.0
208.14130	0.0
209.11879	0.1
210.12344	0.1
225.00899	0.1
256.77756	0.0
269.06088	0.0
537.96643	0.0
565.61792	0.1
601.33221	0.0
787.40265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03462	0.4
58.00573	0.3
59.01381	5.1
71.01382	4.6
71.03252	0.5
72.99305	0.5
73.02960	0.5
74.02476	0.8
77.86341	0.2
78.95908	0.2
80.32875	0.2
83.01414	0.3
85.02954	1.1
89.02451	3.3
89.90337	0.2
95.01402	0.3
99.00903	0.4
101.02464	2.9
105.03443	0.3
107.05057	0.2
109.02989	0.6
111.00894	0.4
113.02483	1.6
116.03539	0.4
117.03486	0.8
119.03540	0.9
121.02982	0.4
121.05090	1.4
123.04542	0.4
125.02480	0.4
126.57994	0.2
131.07138	0.2
132.02188	0.8
133.02975	22.7
134.03662	1.1
135.04547	19.9
136.04848	1.1
137.02501	1.2
139.83844	0.2
147.04527	0.2
148.05368	0.6
149.02437	0.3
149.06100	2.3
153.02106	0.2
159.02988	0.2
161.02464	100.0
162.02818	5.1
163.04083	0.3
175.02591	0.3
177.05586	4.8
178.02647	0.2
179.03516	22.4
180.03836	1.2
189.05534	0.3
193.05109	0.4
197.04662	0.3
203.03575	0.6
221.04559	7.7
222.04845	0.4
251.05605	7.5
252.06004	0.6
261.08752	1.1
281.06659	13.6
282.07022	0.9
323.07852	0.7
341.08789	13.7
342.09024	1.2
345.08517	0.2
352.76364	0.3
445.13510	88.6
446.13846	10.5
446.20309	0.4
458.99551	0.3
491.12152	0.2
676.24139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03450	2.1
58.00600	0.6
59.01382	21.3
61.98855	0.5
68.54356	0.4
68.99831	1.2
69.03476	1.2
70.40874	0.5
71.01388	14.5
72.99313	3.4
73.02946	1.8
73.87274	0.4
75.00885	10.6
78.95921	0.5
83.01391	1.1
85.02962	16.3
86.03286	0.5
87.00882	6.5
89.02448	5.5
91.04012	0.9
91.05544	7.8
92.05898	0.4
93.03481	0.6
95.01411	3.8
99.00889	5.6
101.02430	2.5
103.00402	1.7
111.00869	0.9
113.02467	21.6
114.02831	0.5
115.00381	1.3
117.01958	2.7
117.03457	2.8
119.05056	1.6
121.02984	2.0
129.01984	1.4
131.03569	0.6
131.07184	1.1
132.02176	0.6
133.02979	17.4
134.03746	1.5
135.04550	10.2
137.02493	0.7
147.04544	21.1
148.04886	1.1
149.02464	1.1
149.04575	0.7
150.03233	0.9
159.02928	0.5
161.02464	75.4
162.02800	3.5
165.05591	18.5
166.05827	0.6
175.02489	2.0
175.03996	0.8
179.03494	2.5
193.05063	1.4
198.70851	0.5
200.23271	0.6
202.75162	0.4
205.07201	0.8
207.05174	0.8
207.06660	13.0
208.06958	0.5
231.05193	0.6
249.06148	17.6
250.06540	1.3
265.36832	0.5
267.07199	54.2
268.07559	2.9
271.10025	0.6
306.07611	1.0
343.12228	0.5
385.11414	100.0
386.11749	10.0
393.15665	0.9
399.12976	62.6
400.13211	6.6
486.15598	0.5
540.01849	0.5
637.61731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01377	2.9
61.98835	9.2
63.02404	0.8
65.00321	1.9
68.23766	0.3
69.03507	0.3
70.48001	0.6
70.48386	0.7
71.01390	2.0
73.02965	0.5
75.02645	0.3
75.35981	0.3
81.03469	0.3
83.01395	1.6
85.02967	1.1
87.00924	0.3
88.98829	0.7
89.02432	0.8
91.01907	0.5
93.03470	0.9
97.02968	0.3
98.18893	0.3
99.00933	0.5
101.02465	1.0
107.01408	4.0
108.02192	2.2
109.02943	1.7
111.00885	0.3
113.02475	1.1
113.03696	0.3
115.75301	0.3
116.92831	0.3
119.01358	0.4
119.03520	0.4
119.05039	0.9
121.02985	1.5
122.03834	0.3
123.00926	0.3
123.04515	0.5
125.02446	0.9
130.24362	0.3
131.49103	0.2
132.02206	1.5
133.02982	3.9
134.03780	1.7
135.00909	0.9
135.04567	1.0
136.01689	0.3
137.02432	0.5
145.02960	0.9
147.04558	0.7
148.01685	1.7
149.02464	0.8
150.03239	1.1
151.00397	13.2
152.00937	0.4
153.01961	0.5
158.03688	0.3
159.04543	0.5
160.01686	4.3
161.02469	10.0
161.04503	0.4
162.02956	0.3
163.00395	2.3
163.04073	0.4
164.01097	1.1
165.01941	0.5
165.04285	0.3
165.05553	1.3
165.21442	0.3
167.03508	0.3
169.01468	1.2
173.02415	0.3
173.06104	0.3
175.04047	3.1
176.01161	0.7
177.01923	0.4
177.05617	0.3
178.99896	6.4
179.03558	0.8
183.04555	0.7
187.04051	0.6
189.02049	0.4
190.02699	0.4
190.99908	0.3
191.03487	1.5
192.00581	0.4
193.01219	0.3
193.05090	1.2
195.06598	0.6
198.03090	0.3
199.04018	1.2
203.03484	0.7
204.06569	0.3
211.03992	1.4
213.05472	0.3
215.03506	1.4
216.04286	0.7
226.02719	2.1
227.03542	3.3
228.03989	0.4
229.05058	1.0
233.04549	0.4
243.02992	12.7
244.03441	0.9
245.04471	1.6
254.02217	2.8
255.02986	29.5
256.03400	2.3
257.04608	0.5
263.12927	0.4
271.02466	65.4
272.02969	6.6
273.03909	1.5
283.02414	0.8
284.03226	0.3
299.02002	4.6
300.02762	100.0
301.03421	30.6
302.04044	1.9
314.04346	0.7
315.05057	2.6
323.07785	0.3
339.08685	0.7
343.04446	0.7
457.11182	0.4
477.19388	0.7
519.19989	0.8
589.26410	0.6
591.13892	0.4
609.14813	9.3
610.15009	1.6
623.07037	0.4
623.15466	1.8
623.34625	0.3
714.25946	0.3
785.19592	65.1
786.19977	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	785.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
57.03464	0.4
58.00609	0.3
59.01381	13.1
61.98849	0.5
67.01890	0.5
68.99841	0.4
69.03476	2.0
71.01391	6.8
71.01752	0.5
71.71593	0.3
71.71983	0.3
72.99311	9.1
73.02953	2.5
73.75512	0.3
75.00896	1.2
78.95927	0.6
81.03468	0.6
83.01397	5.3
83.01865	0.4
85.02965	3.0
86.50632	0.3
87.00911	0.8
89.02459	2.5
92.90558	0.3
93.03474	0.6
95.01407	5.0
97.02981	0.7
98.96397	0.3
99.00921	0.8
101.02464	4.5
103.00394	6.9
109.03003	0.5
111.00914	0.7
113.01692	0.6
113.02474	10.8
113.03250	0.7
119.03539	1.2
119.05045	9.8
120.05388	0.6
121.02976	5.1
125.02496	3.6
127.00401	1.0
127.05556	3.3
129.01999	0.3
129.17026	0.3
133.03020	0.4
134.03815	0.4
135.04555	0.8
137.02484	1.0
139.00385	3.2
143.03468	1.4
145.06662	1.5
147.04550	54.1
148.04918	2.4
149.04553	0.7
155.03510	0.4
157.01405	0.3
161.02469	1.6
161.04582	2.8
162.02852	0.3
164.07178	0.4
165.05594	100.0
166.05922	5.5
169.01428	0.6
171.04597	0.6
173.08223	0.3
174.49863	0.3
179.03491	0.4
185.04591	0.9
189.05595	33.6
190.05977	2.0
191.01852	0.3
203.05650	1.2
206.08218	0.7
207.06665	3.1
221.06645	1.1
229.03484	2.0
231.05028	0.4
231.78943	0.3
233.04591	1.0
247.04590	13.7
248.04880	0.7
249.06143	2.2
249.15898	0.3
250.06615	0.5
261.07645	0.9
265.05597	0.5
267.07291	0.5
275.05637	9.1
276.05859	0.9
305.06512	2.0
335.07748	0.3
342.76938	0.3
353.09006	2.2
371.09851	6.0
372.10089	0.9
395.09628	1.3
413.10895	27.3
414.11166	3.0
669.31915	0.3
810.49219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98834	100.0
62.98557	0.1
62.99244	0.1
71.01395	0.4
71.71227	0.2
78.95927	0.2
78.98607	0.2
79.95713	0.4
80.96523	2.2
82.96118	0.1
83.05023	0.1
85.02991	0.2
89.02467	0.1
94.98096	0.5
101.02444	0.2
106.98099	0.1
109.76308	0.1
113.02451	0.1
116.92875	0.3
122.97609	0.1
125.02524	0.1
134.97629	0.1
147.40720	0.1
148.99097	0.2
152.12399	0.1
152.98599	0.1
161.42030	0.1
164.02397	0.1
164.98650	0.4
197.11771	0.1
199.13419	0.1
206.99638	0.1
207.47569	0.1
209.11850	1.5
210.12167	0.6
225.00684	0.6
225.11261	0.1
225.93610	0.1
227.12898	0.3
228.13145	0.1
229.14484	0.1
235.08226	0.1
253.09267	0.2
264.32693	0.1
277.21747	1.4
278.22061	0.9
279.22766	0.1
724.42004	0.1
740.40228	0.1
784.42560	2.7
785.42273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98834	100.0
62.98557	0.1
62.99244	0.1
71.01395	0.4
71.71227	0.2
78.95927	0.2
78.98607	0.2
79.95713	0.4
80.96523	2.2
82.96118	0.1
83.05023	0.1
85.02991	0.2
89.02467	0.1
94.98096	0.5
101.02444	0.2
106.98099	0.1
109.76308	0.1
113.02451	0.1
116.92875	0.3
122.97609	0.1
125.02524	0.1
134.97629	0.1
147.40720	0.1
148.99097	0.2
152.12399	0.1
152.98599	0.1
161.42030	0.1
164.02397	0.1
164.98650	0.4
197.11771	0.1
199.13419	0.1
206.99638	0.1
207.47569	0.1
209.11850	1.5
210.12167	0.6
225.00684	0.6
225.11261	0.1
225.93610	0.1
227.12898	0.3
228.13145	0.1
229.14484	0.1
235.08226	0.1
253.09267	0.2
264.32693	0.1
277.21747	1.4
278.22061	0.9
279.22766	0.1
724.42004	0.1
740.40228	0.1
784.42560	2.7
785.42273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.1
61.55494	0.1
61.98832	100.0
62.98548	0.1
71.01398	0.2
71.70571	0.1
71.71004	0.2
78.95930	0.3
79.95750	0.3
80.96529	1.4
89.34256	0.1
94.98137	0.3
110.44629	0.1
118.43574	0.1
135.46416	0.1
144.94061	0.1
152.98602	0.1
164.98712	0.1
191.17444	0.1
209.11864	0.2
223.13480	0.2
225.00822	0.4
226.00954	0.1
241.01167	0.1
255.23354	0.2
275.60458	0.1
277.21793	0.2
278.22253	0.1
668.70868	0.1
764.40472	0.2
765.41583	0.1
782.41187	1.5
783.42206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.6
61.83671	0.2
61.98830	3.4
65.56252	0.2
68.18853	0.2
69.03437	0.3
70.56160	0.6
70.56544	0.4
71.01380	3.0
73.02974	0.7
75.50949	0.2
76.64023	0.2
80.02693	0.8
80.96541	0.7
81.03468	0.9
83.01382	0.5
83.05023	3.4
83.05465	0.3
83.82397	0.3
84.02170	0.5
85.02959	1.0
87.00894	1.1
89.02469	1.9
95.01427	0.4
97.06585	0.3
101.02448	3.3
101.03004	0.3
109.06620	0.3
113.02486	1.5
119.03537	0.6
125.02553	0.3
125.06174	0.3
127.07649	0.3
127.45842	0.2
135.08206	0.3
145.05083	0.7
151.43533	0.3
155.80312	0.2
158.81277	0.3
161.04594	1.4
163.11314	2.4
165.12865	1.8
179.05687	0.4
179.43944	0.3
181.12384	0.3
191.10696	0.6
199.13490	0.3
209.11842	77.4
210.12181	5.4
227.12892	10.9
228.13222	0.9
233.22723	0.6
235.08218	6.9
253.09279	9.2
254.09665	0.5
275.20041	0.3
277.21722	100.0
278.22064	10.2
278.25186	0.3
281.15631	0.3
315.04318	0.3
427.19913	0.3
445.20795	1.0
513.30731	1.3
514.31000	0.4
783.42792	1.1
784.44104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49065	0.1
59.01378	2.1
61.98832	100.0
62.98542	0.1
65.78906	0.1
66.96381	0.1
69.58980	0.3
69.59412	0.2
71.01382	1.0
73.02947	0.8
83.01414	0.4
85.02972	0.2
87.00930	0.1
88.98851	0.1
89.02460	0.3
93.66964	0.1
95.01405	0.1
101.02452	1.2
113.02483	0.5
119.03553	0.2
131.03539	0.1
143.03546	0.2
145.03029	0.1
149.04562	0.4
161.04572	0.6
171.10315	0.1
203.05708	0.1
207.10327	0.1
209.11897	0.1
210.12143	0.1
211.13509	0.2
212.13847	0.1
221.06682	0.4
225.11436	0.1
237.52509	0.1
341.23767	0.1
370.27438	0.1
517.41858	0.1
635.19635	0.1
785.41290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.9
61.98841	6.8
69.03463	0.7
71.01388	5.7
71.05038	0.8
71.71293	1.2
73.02953	0.9
76.56069	0.7
78.95902	1.3
79.95756	1.1
80.96523	8.2
83.01392	1.0
85.02983	1.7
87.00889	1.8
88.75049	0.7
89.02451	3.0
94.98093	1.2
97.02969	6.7
97.06594	0.9
99.00898	10.0
101.02481	2.6
106.98067	0.8
109.06638	1.5
110.03735	1.5
113.02471	2.1
125.02491	1.3
125.09716	3.0
134.97647	0.8
136.05313	1.5
138.39346	0.8
142.02792	1.8
161.04567	1.1
163.11320	6.3
164.98624	1.7
176.31831	0.8
181.12366	18.0
207.10280	47.0
208.10580	3.9
225.00739	3.4
225.11334	100.0
226.11642	6.1
235.08229	1.8
243.12375	12.3
244.12900	1.0
253.09264	3.7
255.23274	0.7
263.03104	0.8
277.21732	96.2
278.22076	10.1
393.59149	0.8
418.49854	0.8
443.19193	4.2
461.20279	46.6
462.20682	5.3
577.37842	0.8
684.19244	0.8
721.41876	29.3
722.42487	8.2
781.40894	11.6
782.41510	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	781.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.5
61.98837	7.1
69.03474	0.6
71.01381	4.1
73.02946	0.7
78.95892	0.6
78.98595	0.7
79.95748	1.7
80.96526	8.1
83.01387	0.7
83.05052	0.7
85.02955	1.6
87.00888	1.6
89.02441	1.2
94.98091	2.3
97.02948	4.1
97.06590	1.2
99.00896	6.9
101.02454	2.8
102.88361	0.5
109.06609	0.8
110.03719	0.6
113.02457	1.4
116.92837	0.9
124.54297	0.5
125.02458	1.0
125.09739	1.8
134.97594	0.7
135.53377	0.5
136.05363	0.6
142.02692	1.5
148.99132	0.7
161.04515	1.5
163.11320	4.4
164.98611	1.7
181.12347	7.9
182.12721	0.9
207.10283	25.5
208.10565	1.3
209.11739	0.8
213.02040	0.5
225.00752	2.3
225.11327	51.3
226.11598	3.7
233.22845	0.5
235.08304	2.9
243.12378	6.3
253.09294	3.3
259.20715	0.6
274.78632	0.5
275.20074	0.8
277.21725	100.0
278.19266	0.8
278.22083	11.2
345.92563	0.6
347.11789	0.5
443.19281	5.1
461.20282	7.2
462.20953	1.0
485.31372	0.5
513.30627	0.8
516.92804	0.6
619.39893	1.2
638.73346	0.5
645.44080	0.6
682.28754	0.7
721.41833	22.3
722.42346	6.3
781.40967	11.4
782.41302	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	781.4441
Annotation	lugdunin
Peak:m/z	Relative Intensity
57.03426	0.8
59.01363	1.0
61.98851	0.7
63.96235	1.8
69.03452	1.0
71.01392	8.6
73.02950	1.8
78.98174	1.0
78.98598	8.3
79.95740	14.9
80.96525	83.4
81.03455	1.4
83.35852	0.5
85.02961	3.6
87.00889	2.6
93.87299	0.7
94.98098	18.9
96.96065	1.4
97.02961	1.1
98.19856	1.8
101.02438	2.5
106.98113	3.9
122.97598	3.9
125.02453	3.1
127.04016	0.8
134.97595	5.8
136.99133	1.7
148.99167	8.0
152.98669	8.0
164.98654	12.5
206.99751	3.4
211.13356	2.1
225.00746	20.2
226.01062	1.3
255.23268	1.3
376.00772	0.6
525.20239	2.8
526.20337	0.7
537.27081	1.7
541.68201	0.7
769.56604	0.9
781.44342	100.0
782.44720	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01382	8.7
61.51342	0.6
61.98835	4.9
69.03464	0.8
70.56091	1.5
71.01391	13.1
72.99325	4.6
73.02914	0.9
75.00879	16.4
80.96494	0.9
85.02966	17.2
87.00477	0.6
87.00905	5.1
89.02460	2.0
92.19239	0.6
95.01397	3.3
95.29288	0.7
98.20479	0.8
99.00905	8.4
102.70627	0.7
103.00382	1.9
113.02469	16.3
117.01981	1.4
129.01945	0.9
129.45045	0.8
157.01593	0.7
175.02487	2.8
195.13916	2.4
223.13344	1.6
249.06168	1.6
255.23305	58.8
256.23700	5.2
257.72632	0.8
275.20108	1.1
293.21234	7.9
505.30118	2.8
525.27484	1.1
763.51245	1.3
781.51355	100.0
782.51721	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	779.55
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45929	0.2
59.01370	0.3
61.98829	1.9
71.05025	1.6
71.72192	0.3
78.95969	0.2
81.50835	0.2
83.05034	0.3
106.74179	0.2
121.10239	1.2
171.10286	2.4
172.10814	0.2
183.10249	0.3
183.13921	0.6
206.18681	0.2
210.23003	0.2
211.13403	0.2
231.21159	0.4
275.20132	5.0
276.20551	0.5
293.21237	12.0
294.21603	1.2
329.15292	0.2
369.27963	0.6
377.28482	0.6
393.31662	0.8
403.30087	0.3
405.31863	0.3
407.29395	0.3
421.31345	0.2
423.32733	1.7
424.32901	0.3
425.30743	1.5
437.30576	0.9
441.33963	0.9
455.31635	0.2
465.30225	0.6
467.31696	12.9
468.32040	2.2
485.32709	100.0
486.33054	17.0
486.40329	0.3
779.42334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91583	0.2
56.32870	0.2
59.01381	42.3
59.32721	0.3
60.01707	0.4
61.98840	0.7
65.42078	0.3
70.55134	0.7
70.55535	0.5
71.01392	0.7
72.13290	0.2
72.99311	4.0
89.02433	0.4
103.05556	0.4
109.03686	0.3
111.00886	0.2
113.99604	1.1
115.00420	0.5
119.05045	5.8
120.05454	0.3
142.06627	0.8
147.04549	100.0
148.04881	5.4
156.00665	2.0
165.05600	86.0
166.05956	4.4
174.01726	3.7
175.02394	0.3
204.06674	0.6
207.06654	75.3
208.06976	5.4
246.07713	0.4
465.58533	0.3
469.20511	0.6
693.20984	0.3
695.27313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.8
61.98833	15.4
69.03445	1.3
71.01388	3.5
71.35831	1.7
72.22252	0.6
78.95911	2.3
79.95747	0.7
80.96549	4.4
85.02964	1.1
89.02460	2.5
89.43049	0.6
94.98086	1.5
97.54474	0.6
101.02444	2.3
109.06589	0.9
113.02471	2.0
116.92863	3.1
125.02449	0.8
148.86522	0.6
149.09717	0.8
161.04588	1.6
167.10857	3.1
177.12990	1.0
179.05638	0.9
179.10793	1.0
179.14456	2.6
195.13924	8.3
205.12337	9.0
206.12657	1.1
223.13405	100.0
224.13754	7.3
225.00729	1.3
225.11406	0.9
235.08270	3.4
253.09264	8.1
255.23315	2.1
277.21735	71.4
278.22025	6.6
408.19659	0.6
441.21222	2.6
459.22369	16.4
460.22745	1.3
513.30457	0.9
719.43524	3.5
779.39423	7.0
780.40326	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	777.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76485	0.1
59.66001	0.1
60.94719	0.1
60.99308	5.2
61.04811	0.1
61.98816	0.1
78.84750	0.1
94.25919	0.1
98.45985	0.1
100.66767	0.1
224.85898	0.2
277.21698	0.5
337.25113	0.1
405.31693	0.3
423.32681	5.0
424.33075	0.9
453.33957	0.5
499.34262	100.0
500.34619	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	777.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.7
61.98832	11.8
64.85037	0.5
71.01387	4.0
72.99292	0.6
76.01984	0.5
83.01370	1.0
85.02968	1.2
87.00880	1.2
88.98818	1.3
89.02448	1.2
94.06624	1.2
99.00930	0.5
101.02481	2.6
103.01659	0.5
105.05833	0.6
107.03770	1.4
108.13040	0.4
111.04589	0.6
113.02467	1.8
116.92839	0.6
119.03516	0.7
120.08216	11.7
121.05376	1.2
122.06139	32.9
124.07703	2.5
125.02464	0.9
134.03798	0.7
134.06125	2.0
136.07712	1.1
144.04572	3.3
146.06171	0.7
150.03267	0.7
160.01746	0.6
160.04048	0.6
161.02429	0.5
161.04703	0.7
162.05606	2.0
164.07137	0.9
165.05643	0.6
174.05690	3.6
175.03979	0.9
176.07150	0.7
188.03580	1.3
193.05133	0.6
199.08817	0.7
203.05908	5.9
204.06583	1.7
209.10712	1.1
222.07669	0.5
223.08791	1.9
225.13930	0.8
236.09535	2.1
237.10320	3.9
238.10899	1.2
239.08403	0.8
239.11916	0.7
241.13461	1.2
243.15031	0.6
249.10327	1.5
249.13870	1.4
250.07420	1.1
250.11092	1.0
251.08038	0.8
251.11903	18.9
252.12491	2.7
253.09641	0.8
261.10333	0.6
262.07465	1.2
262.11145	1.2
263.08389	2.7
263.11841	3.1
264.08981	3.8
264.12457	0.7
265.09787	2.3
265.13498	3.2
266.10443	1.1
267.11447	1.1
268.08487	0.6
269.10049	0.5
269.12875	3.4
275.08258	2.9
275.11819	1.5
276.08932	4.9
277.09808	18.0
277.12857	1.0
278.10544	5.9
279.11499	3.0
280.12027	1.0
281.09384	0.5
282.10071	1.2
285.12469	1.7
289.09787	0.7
290.10614	6.1
291.11401	18.5
292.12152	21.6
293.12915	12.5
294.10330	0.6
294.13458	1.8
295.10886	2.1
295.14230	0.9
296.11478	1.0
297.12384	1.4
298.12653	0.6
304.08368	0.5
306.10059	1.3
307.10999	0.7
309.09003	0.7
309.12622	1.2
310.09579	1.3
315.11505	1.0
316.12134	1.9
317.09399	0.7
317.12897	0.6
318.10089	9.0
318.13654	0.3
319.10861	4.3
320.11441	0.7
324.11179	4.2
326.12616	0.7
327.13629	2.6
332.11389	0.7
335.10379	8.4
336.11087	8.4
337.11844	4.6
338.12601	0.8
345.14832	0.9
350.08884	0.7
350.12830	0.8
358.15405	0.6
360.10983	0.9
360.17072	0.7
362.18356	1.0
372.17245	1.7
373.17896	0.9
374.18735	4.5
375.19406	2.2
376.20148	1.4
378.12610	0.8
386.14859	1.1
387.15405	0.7
388.16583	1.5
399.15707	0.6
400.16626	2.3
401.17142	1.2
402.18243	1.6
405.17151	0.6
413.17307	0.7
414.18149	2.0
415.19006	1.5
416.19775	11.5
417.20407	3.4
420.19263	6.8
421.19797	1.1
442.17734	4.2
443.18350	2.2
448.22305	1.2
460.18820	10.5
461.19449	7.6
462.20178	2.5
472.22363	1.3
474.20279	3.4
484.18692	1.0
492.21390	50.3
493.21747	8.5
495.28204	0.6
497.25616	1.9
498.25665	0.6
502.20096	0.9
516.21246	4.0
517.21515	1.1
534.22595	9.5
535.22705	1.4
539.26636	8.1
540.26733	1.7
565.24573	5.1
566.24762	1.3
583.25653	30.0
584.25842	6.9
597.27325	2.7
615.28375	100.0
616.28693	23.8
620.55109	0.6
639.28485	1.7
657.29376	25.9
658.29822	5.5
777.36127	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	775.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98531	0.2
71.04594	0.1
81.11137	0.1
148.43794	0.1
195.12973	0.1
213.86919	0.1
288.54416	0.1
473.09534	0.1
489.55743	0.1
712.54218	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98534	0.1
70.94026	0.2
70.94386	0.2
76.02423	0.1
225.02187	0.1
251.16199	0.1
405.22412	0.1
784.44617	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.4
61.98837	17.7
67.10960	0.5
71.01392	5.0
72.16177	0.5
72.99306	0.8
75.86861	0.5
83.01398	1.4
85.02978	1.3
87.00893	0.9
88.45078	0.5
88.98807	2.0
89.02459	2.0
94.06647	0.6
99.00887	1.1
101.02474	2.5
107.03799	2.1
113.02467	2.1
115.00421	0.5
119.03540	0.6
119.05022	0.8
120.08211	11.8
121.05331	0.9
122.06142	29.0
124.07704	2.0
125.02461	1.0
129.71222	0.5
134.06148	2.3
135.04538	0.9
136.07729	1.2
144.04616	3.6
146.06172	1.2
148.07733	0.7
151.04015	0.5
160.04044	0.9
161.02466	2.2
161.04688	0.9
162.05563	1.9
164.07233	1.4
165.05609	0.9
167.03549	0.6
174.05585	2.8
177.02036	0.6
178.08797	0.6
188.03555	1.6
195.06615	0.8
199.08920	0.5
200.07072	0.6
201.11505	0.6
203.05894	5.1
204.06691	2.5
209.11861	2.0
215.43069	0.5
217.13458	0.8
222.07785	0.7
223.08740	1.9
225.13942	1.0
236.09564	2.6
237.10216	3.1
238.11046	0.5
239.11992	0.7
241.13539	1.4
243.14957	0.5
249.10371	1.8
249.14040	1.4
250.07443	1.2
250.11177	1.4
251.11890	17.1
252.09042	0.5
252.12355	1.8
253.13362	0.7
262.07443	0.5
262.11044	0.9
263.08356	2.6
263.11890	3.6
264.08975	3.0
264.12155	0.7
265.09647	1.2
265.13489	2.3
266.10422	0.9
267.11258	0.6
268.08484	0.6
269.12946	2.8
275.08313	3.7
275.11728	1.2
276.09021	4.7
277.09827	17.3
278.10519	5.5
279.11353	2.7
280.12183	0.6
282.09824	0.7
283.10675	0.7
284.11722	0.8
285.12436	1.0
287.13925	0.7
289.09958	0.6
290.10605	4.9
291.11395	18.2
292.12146	18.5
293.12851	10.4
294.10114	0.6
294.13531	1.8
295.10925	1.3
296.11603	1.0
297.12378	1.0
301.09753	0.8
305.09296	0.5
306.09973	1.2
307.10782	1.0
309.08972	0.6
309.12433	0.9
310.09616	1.6
311.10159	0.9
316.11914	1.2
317.09525	0.8
317.12814	0.8
318.10098	9.3
319.10648	4.1
320.11295	0.6
324.11209	4.3
325.11725	0.9
327.13602	2.9
329.14890	0.7
335.10431	8.6
336.11115	7.9
337.11890	4.9
346.15710	0.9
350.12756	0.9
358.15775	0.9
360.11118	0.8
360.17133	0.7
362.18613	0.6
372.17099	1.2
372.21118	0.9
374.18848	5.2
375.19342	2.1
376.20273	1.0
378.12183	1.1
386.15131	1.4
386.24298	0.6
388.16537	1.4
400.16580	1.6
401.17038	1.5
402.18283	2.0
405.16885	1.0
414.18277	1.4
415.19153	1.6
416.19824	10.4
417.20639	3.2
420.19263	7.4
421.19888	0.9
432.19754	0.7
434.20996	0.6
442.17712	4.4
443.18225	1.7
447.17184	0.5
448.22687	1.1
460.18845	11.6
461.19467	7.6
462.20282	2.2
472.22379	0.9
474.20444	3.3
475.20734	0.7
492.21417	44.8
493.21896	9.7
497.25616	1.6
498.26523	0.6
516.21393	5.3
517.21912	0.7
534.22437	8.2
535.22919	1.7
539.03003	0.7
539.26727	8.1
540.26886	0.8
543.26031	0.7
557.77252	0.7
565.24664	5.0
566.24371	1.2
583.25690	33.9
584.25977	7.6
597.27411	1.7
598.27722	1.0
615.28430	100.0
616.20929	0.5
616.28735	25.8
657.29437	26.1
658.29846	7.0
777.35748	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	775.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	37.1
60.01697	0.5
61.98826	0.4
70.93925	1.0
71.01380	0.6
72.99312	4.9
86.58128	0.3
88.31967	0.4
89.02478	0.3
91.05547	0.3
91.13615	0.3
94.80468	0.3
96.53479	0.3
105.93169	0.3
111.00906	0.6
119.05038	7.6
120.05393	0.4
121.02969	1.0
123.04592	0.3
135.04543	1.7
142.06679	0.3
145.02991	0.6
147.04541	100.0
148.04866	5.6
149.02509	0.5
161.02495	0.5
165.05588	87.8
166.02817	0.4
166.05910	5.4
167.03465	0.5
197.04532	0.9
207.06636	59.0
208.06972	4.2
217.01437	1.3
279.80344	0.3
337.07086	2.1
361.16486	0.6
367.08267	0.4
441.27576	0.4
457.11359	2.4
577.15125	0.4
766.34009	0.4
775.21014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
71.35695	15.8
71.36019	8.1
72.38246	8.1
75.60928	7.0
90.84753	7.7
92.59513	8.3
116.92845	11.1
184.46236	8.2
205.69601	9.1
211.13387	25.9
234.13161	8.5
277.21747	12.4
288.20874	9.4
579.31653	12.1
775.44049	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	775.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
58.18857	1.8
59.01157	1.5
59.01382	15.7
61.98836	14.2
71.01384	21.6
71.41871	3.9
72.99317	7.6
75.00883	23.5
78.95902	2.7
83.05015	4.2
84.02159	2.2
85.02969	28.1
87.00895	8.3
89.02450	3.7
95.01398	6.7
99.00887	18.6
100.14808	1.9
100.29531	2.1
103.00378	2.7
113.02467	24.3
114.02789	2.4
115.00405	3.7
117.02000	2.6
122.93970	2.0
134.00279	2.0
158.20111	2.3
163.11284	2.8
175.02495	3.4
175.82870	2.0
209.11845	45.3
210.12062	2.9
223.08289	2.1
227.12773	3.5
232.01131	2.3
255.23222	8.1
256.23514	7.3
283.26419	99.3
284.26761	11.2
309.37112	2.2
338.94910	2.1
375.21487	2.1
490.61728	2.3
522.71393	2.4
564.15143	2.5
583.86639	2.3
596.29877	2.5
626.55688	2.2
712.43793	25.3
713.44305	2.7
743.46033	100.0
744.46393	25.5
775.48724	98.0
776.49121	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.1
61.98834	100.0
63.99252	2.9
68.55780	1.7
68.59412	1.4
71.01395	8.3
73.02948	1.9
75.00894	1.7
80.96541	2.0
83.01377	2.7
83.05035	3.1
85.02952	3.9
85.08821	1.4
87.00900	1.9
88.98836	3.6
89.02458	4.2
95.01398	2.3
101.02447	6.3
106.22496	1.5
113.02457	5.9
116.92919	2.0
119.05042	1.8
125.02435	1.9
133.02992	2.3
134.03838	1.6
135.04546	2.7
135.15657	1.6
160.01718	1.8
161.02496	7.3
163.11319	2.2
165.12881	2.7
171.10294	3.7
175.04060	1.6
183.13957	1.5
209.11845	72.6
210.12167	5.9
214.74294	1.8
227.12894	18.8
228.13264	1.8
235.08223	3.7
253.09352	5.1
272.23917	1.5
309.20755	2.0
327.21716	7.0
352.86832	1.8
445.20596	8.6
582.01636	2.0
637.32739	4.2
673.34485	3.0
703.96698	1.9
773.37140	29.0
774.38092	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	773.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
58.00612	0.6
59.01377	6.4
61.98831	4.9
67.43456	0.4
69.03458	1.0
70.63811	1.2
71.01382	6.0
73.02956	1.2
76.07021	0.4
80.02687	1.5
81.03487	1.1
83.01399	0.7
83.05042	4.0
84.02173	0.5
85.02951	2.0
87.00888	1.2
89.02452	3.0
93.03477	0.5
95.01379	0.4
95.05054	1.0
96.96041	0.8
97.02950	3.1
97.06584	1.0
101.02454	4.9
109.06569	0.6
111.08176	5.5
113.02446	3.0
115.92094	0.6
116.92877	1.3
119.03528	1.1
123.08154	0.5
124.98812	0.5
125.06062	0.9
125.09755	3.0
127.11327	2.1
133.05135	0.5
135.08223	0.7
137.09750	1.5
139.11385	0.3
143.03532	0.5
151.11302	0.7
153.09254	0.7
153.12939	0.6
155.10770	1.0
161.04597	2.5
163.11276	3.9
165.09167	1.2
165.12868	4.1
169.12381	1.7
171.10283	6.5
172.10577	0.6
179.05594	1.2
181.12321	1.7
183.10260	0.7
183.13922	1.1
185.11842	0.5
191.10771	0.9
193.12363	0.7
197.11850	23.8
198.12219	1.7
199.09854	1.1
199.13429	2.1
201.11334	46.9
202.11664	3.0
207.10245	1.0
209.11842	100.0
210.12186	7.0
211.13457	5.8
212.13760	0.7
221.11769	0.6
223.13614	0.5
225.11331	1.0
227.12894	16.7
228.13268	0.8
229.14590	0.5
235.08224	5.2
235.72707	0.4
243.69786	0.4
247.20734	1.4
253.09283	28.2
254.09605	1.4
263.20200	1.3
268.67108	0.4
273.18643	1.3
291.19659	24.9
292.19977	3.2
293.20447	0.5
309.20724	65.2
310.21051	7.3
327.21823	2.6
328.22046	0.4
437.20416	2.6
445.20563	2.3
463.21945	0.7
475.30777	0.7
493.31714	1.3
501.32315	0.6
526.00922	0.4
527.28577	1.2
545.29578	4.2
546.30084	0.8
601.60730	0.5
675.29047	0.4
729.41345	0.9
773.43549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03456	2.2
58.00591	0.6
58.65468	0.2
59.01382	11.3
61.98839	0.6
67.01887	0.8
68.99812	1.0
69.03461	0.8
71.01389	14.8
71.71352	0.2
71.71760	0.3
72.01743	0.3
72.99316	3.2
73.02943	1.1
75.00881	11.4
81.03454	0.4
83.01392	0.7
83.05016	0.3
84.02184	0.2
85.02962	17.3
86.03290	0.4
87.00887	6.2
88.98827	0.5
89.02457	4.4
89.02995	0.3
91.04042	0.8
91.05546	9.8
92.05899	0.5
93.03465	1.1
95.01407	4.4
97.02963	0.4
99.00898	6.7
101.02460	0.7
103.00385	1.9
109.02988	0.4
110.51717	0.2
111.00899	0.8
111.04541	0.2
112.01706	0.4
113.02469	23.5
114.02789	0.7
115.00395	1.1
117.01983	1.8
117.03480	2.9
119.03450	0.2
119.05054	0.2
119.75686	0.2
121.02975	3.3
122.14493	0.1
129.01970	1.8
130.02361	0.1
131.03514	0.4
134.03752	0.5
135.04539	5.1
136.04861	0.3
137.02461	1.3
139.00356	0.3
142.06602	0.3
142.53664	0.2
147.03247	0.2
147.04538	0.6
149.04590	0.4
157.01436	0.6
165.05574	0.6
175.02519	1.6
189.04166	0.4
191.05672	0.2
193.05070	0.7
205.07175	1.0
207.05069	1.2
209.06667	0.2
223.08171	0.4
231.05098	1.6
249.06154	21.0
250.06519	1.3
263.07712	0.8
267.07205	56.5
268.07559	3.8
269.07666	0.6
271.02655	0.4
300.02734	0.6
325.09091	0.3
367.10291	0.2
385.11423	100.0
386.11758	12.3
387.12482	1.2
533.19763	0.2
609.14868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33200	0.2
59.01381	36.6
60.01716	0.6
61.98854	0.3
65.68535	0.2
71.01397	1.0
71.71869	0.4
72.99312	3.8
74.23485	0.2
85.02979	0.5
89.02441	0.6
95.01412	0.3
96.96017	0.5
101.02465	0.6
102.35448	0.2
103.05565	0.5
107.01410	0.5
109.02974	0.3
111.00860	0.3
117.03455	0.5
119.05042	5.8
120.05405	0.3
123.90739	0.2
125.02421	0.3
133.02977	5.2
134.03804	0.3
135.04543	3.9
137.02490	0.4
142.06682	0.4
147.04544	100.0
148.04881	5.4
149.06081	0.3
150.03239	0.3
151.00383	1.1
152.01161	0.8
161.02466	17.3
162.02815	0.9
165.05591	84.3
166.05917	5.1
175.04031	1.0
177.05583	0.7
178.99886	0.7
179.03535	3.2
180.03873	0.3
182.33629	0.2
204.06673	0.4
207.06641	59.8
208.06967	4.8
217.01413	0.3
221.04594	0.9
246.07884	0.2
251.05687	1.1
281.06641	1.3
300.02811	0.3
314.04266	0.6
341.08853	0.8
359.12238	0.2
363.16763	0.2
410.26254	0.3
421.09113	0.5
430.94778	0.2
473.11588	0.3
503.15341	0.3
521.16650	18.7
522.16974	2.7
729.20349	1.1
773.20197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01382	7.5
61.98834	55.5
68.99823	1.0
69.03452	0.7
70.87271	0.7
70.87609	1.1
71.01387	6.2
72.99302	1.0
73.02946	1.6
75.00889	0.6
75.15114	0.5
77.03947	0.6
81.03476	1.3
83.01390	5.6
85.02962	3.0
87.00862	0.8
88.98806	2.2
89.02464	1.9
93.03467	12.1
95.01406	1.6
95.05061	1.2
97.02976	1.3
101.02474	3.8
105.03464	0.8
107.01379	0.7
107.05053	1.2
108.02205	0.7
109.02964	1.8
111.00913	1.2
113.02464	2.5
117.03477	2.1
119.05061	8.2
121.02973	2.9
123.04550	2.9
125.02480	2.9
133.02972	1.7
133.06624	0.6
134.03766	8.9
134.06044	0.5
135.04576	3.2
137.02473	1.6
137.06075	1.4
139.04054	1.6
145.03008	3.1
145.06641	0.7
146.03748	0.8
147.04535	7.8
148.01685	1.4
149.02463	12.7
149.06073	1.6
150.03137	2.2
151.00465	0.5
151.03987	1.7
152.01195	0.6
153.01979	1.1
153.05640	0.8
159.04533	2.2
160.01671	1.5
161.02478	8.2
161.04686	0.9
161.06093	2.2
162.03169	1.5
163.04034	13.1
164.04730	0.9
165.01978	1.0
165.05589	8.0
166.02643	0.8
166.05821	0.7
167.03526	3.2
171.04433	0.9
172.05235	0.6
173.02464	0.9
173.06091	0.9
175.00395	2.1
175.04036	4.2
176.01178	2.0
176.04692	1.4
177.02020	0.5
177.05626	3.0
178.02658	0.6
179.03476	2.8
179.05716	0.8
179.07109	1.2
180.04170	0.7
187.04018	3.0
187.07692	0.6
188.01207	0.7
188.04768	1.0
189.01964	5.6
189.05594	5.8
190.02773	6.5
190.06134	0.6
191.03525	48.6
192.03874	2.1
193.05101	3.6
194.05884	0.6
195.06616	1.3
201.01961	0.9
201.05563	1.7
203.03540	18.9
203.07195	0.8
204.04187	3.2
205.05077	18.7
205.07028	1.2
206.02188	0.7
206.05420	1.3
207.06615	2.2
209.04575	2.2
209.08281	0.9
214.02744	1.3
215.03513	2.5
217.01601	2.8
217.05051	5.1
218.02202	0.8
218.05811	0.7
219.03171	1.2
219.06592	1.5
221.04559	3.0
223.06004	0.9
229.05203	0.7
229.08612	0.8
230.02193	1.3
231.03047	1.8
231.06592	1.7
232.03719	1.9
233.04562	59.1
234.04939	3.9
235.06160	1.5
236.03113	0.7
239.05579	0.8
243.02945	1.1
243.06813	0.6
245.04567	14.5
246.05180	1.9
247.06088	3.5
259.06171	1.1
263.05585	16.5
264.05853	0.8
271.02380	1.2
273.07687	0.6
275.05634	11.6
276.05972	1.2
277.06946	0.6
287.05634	1.8
290.71295	0.6
297.07715	6.7
300.02771	2.1
305.06714	1.7
309.07663	1.5
315.08734	1.9
327.08582	1.0
338.07834	1.0
339.08755	100.0
340.09088	11.4
341.10312	0.6
345.09702	1.1
345.15567	2.3
351.08911	3.2
353.10196	2.7
357.09787	7.9
358.10315	1.2
367.10400	1.8
369.09808	47.7
370.10156	5.6
380.09406	0.7
381.09814	32.4
382.10196	3.3
383.11011	0.8
387.10907	6.7
388.11014	0.7
399.10864	2.5
411.10910	10.8
412.11115	1.9
417.11993	3.5
418.12357	0.6
423.10938	1.3
441.11868	11.2
442.12314	1.5
459.12982	54.9
460.13272	9.4
471.12778	1.4
477.13849	5.8
478.14029	1.5
483.12994	1.6
489.14185	18.1
490.14624	3.5
501.14209	1.5
507.14935	1.7
519.16248	1.8
533.14545	0.9
561.16260	2.4
563.17383	1.6
579.17383	6.4
580.17554	0.7
597.18256	2.1
609.20380	2.7
610.20459	0.9
614.11865	0.6
639.21002	1.6
653.18939	6.1
654.19330	1.5
683.19897	1.3
755.22174	0.7
773.22137	4.8
774.23212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94033	0.3
59.01379	4.3
60.99304	0.7
61.98834	21.6
63.02403	0.8
65.00351	1.3
71.01392	2.9
71.71418	0.6
72.99325	0.6
73.02953	0.8
83.01411	1.5
85.02947	1.7
87.00896	1.0
88.98816	4.9
89.02456	1.8
91.01898	0.4
93.03512	0.6
95.01418	0.9
99.00903	0.8
101.02483	1.5
105.79928	0.3
107.01422	2.8
108.02203	1.2
109.02987	0.5
111.00913	0.7
111.45988	0.3
113.02466	1.7
114.02785	0.4
116.29243	0.3
119.03488	0.4
119.05034	0.7
121.02232	0.3
121.02972	1.9
123.04593	0.7
124.01704	0.5
125.02473	1.6
131.03476	0.3
132.02211	0.6
133.02988	3.9
134.03740	1.2
135.00919	0.6
135.04549	2.1
137.02515	0.6
139.00500	0.5
141.44582	0.4
142.06682	0.4
145.03006	0.6
147.04546	0.7
148.01733	1.2
149.02458	0.7
149.06126	0.4
149.99629	0.6
150.03241	1.0
151.00395	9.6
152.01024	1.0
152.99568	0.3
153.01988	0.6
160.01665	1.6
161.02477	9.5
161.04564	0.7
162.02910	1.0
163.00374	1.3
163.04088	0.7
164.01129	0.7
165.01866	0.3
165.05574	1.6
167.03517	0.3
168.00615	0.4
169.01480	1.0
174.03314	0.4
175.02719	0.4
175.03995	2.3
176.72546	0.4
177.01982	0.5
178.99857	5.2
179.03523	2.0
179.05571	0.8
190.02695	0.4
191.03479	0.4
191.07243	0.4
192.00639	0.4
193.01515	0.5
193.05057	1.1
195.06715	0.4
199.04034	1.0
203.03596	0.5
204.06606	0.4
205.04988	0.5
205.12378	0.4
207.06651	0.6
211.04031	0.6
213.05582	0.4
215.03664	0.8
220.98491	0.4
221.04454	0.4
226.02783	1.2
227.03481	2.9
229.04996	0.4
241.05045	0.8
243.02994	7.7
244.03638	0.8
249.87454	0.4
254.02174	2.4
255.02979	20.9
256.03329	2.4
257.04532	0.6
267.07443	0.4
269.04633	0.7
271.02472	46.6
272.02869	5.8
273.03574	0.9
283.02615	0.6
284.03299	0.6
285.04102	2.0
299.01984	5.7
300.02765	100.0
301.03299	18.8
302.03662	1.7
312.02713	0.7
313.03574	2.9
314.04294	5.1
315.04657	0.6
331.06680	0.9
340.02231	0.4
346.03311	5.8
347.03738	0.6
426.65311	0.4
450.09808	1.9
451.10144	0.9
459.12720	0.4
477.08072	1.2
579.13599	47.3
580.13818	7.7
609.15070	0.5
611.14136	0.5
651.15424	1.5
683.23114	0.7
710.30389	1.0
711.28986	3.9
729.20557	3.1
730.19983	0.6
755.18591	12.7
756.18890	3.2
773.19403	29.0
773.30713	1.2
774.19696	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	773.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01907	1.5
57.03449	2.9
58.37830	1.6
59.01379	20.4
60.99302	3.1
61.98833	100.0
69.03445	2.9
69.96310	1.5
71.01388	14.1
71.71593	1.7
71.71959	1.8
72.99335	2.1
73.02959	2.7
75.00854	1.6
75.31241	1.4
76.79900	1.3
80.96525	3.3
81.03468	3.0
83.01411	6.9
85.02949	6.6
87.00875	3.3
88.98811	14.7
89.02462	5.8
89.04037	1.4
89.69496	1.2
93.03468	20.4
94.98135	1.5
95.01386	3.5
95.05028	2.0
97.02955	3.9
99.00914	2.9
101.02458	8.1
105.03448	1.8
107.01435	1.6
107.05021	1.5
108.02196	5.2
108.04592	1.3
109.02995	8.0
110.41722	1.5
111.00919	3.8
111.04538	1.7
113.02443	7.0
115.00373	2.2
116.92925	2.1
117.03455	7.3
119.03670	1.7
119.05046	38.4
119.41599	1.4
120.05391	2.7
121.03001	6.5
122.03780	1.7
123.00893	1.6
123.04552	10.6
124.01717	2.0
125.02474	14.8
133.03050	8.3
133.06573	2.6
134.03806	9.7
135.02907	1.6
135.04573	8.9
136.01640	1.6
136.05354	2.1
137.02461	6.1
137.06155	1.8
139.04030	6.1
142.06667	2.7
143.03467	2.0
143.04997	1.7
145.02975	8.9
146.03719	1.4
147.04543	5.8
149.02438	4.4
149.06108	3.9
149.99565	4.4
150.03250	5.9
151.00343	5.1
151.04030	3.4
153.01912	3.4
159.04547	3.1
160.01746	6.7
161.02473	25.2
161.04575	4.2
161.06030	2.0
162.03157	2.0
163.00407	2.0
163.04030	10.5
164.01161	1.5
165.01982	4.1
165.05576	7.4
166.02721	2.6
167.03506	12.9
168.00664	8.8
169.01465	2.9
172.05325	1.9
173.02484	5.5
175.04027	10.4
175.07773	1.5
176.04730	5.3
177.01965	3.6
177.05576	4.7
178.99850	2.2
179.03529	10.3
179.07161	2.2
180.04239	4.4
181.05061	3.1
185.05873	2.0
187.03995	2.8
187.07532	1.3
189.01964	5.8
189.05630	10.6
190.02773	3.4
191.03528	9.2
191.07224	1.9
192.40312	1.3
193.05112	7.4
195.06618	4.0
197.04483	2.2
199.03972	2.6
201.05676	2.1
203.03511	7.7
203.07231	2.6
204.04265	7.0
204.06595	1.6
205.05103	18.9
215.03458	2.1
216.04276	1.6
217.01459	27.9
217.04956	13.7
218.01880	2.6
218.05806	7.2
219.03069	3.1
219.06612	5.7
221.04584	2.8
223.05951	1.5
227.03496	2.9
229.05148	3.3
231.03038	6.4
231.06613	2.7
232.03674	3.5
233.04608	7.4
233.08235	1.8
235.06087	2.9
241.05089	2.3
243.02887	4.1
243.06532	2.1
245.04596	6.7
245.08276	2.2
246.05356	3.0
246.07758	1.4
247.02435	1.7
247.06133	16.3
250.04747	1.8
255.03018	7.7
259.06165	6.7
271.02469	16.3
271.05618	3.0
271.09650	1.4
272.02921	2.3
272.06754	1.7
273.07605	6.4
277.07248	4.0
285.04266	2.0
285.07526	2.3
295.06235	2.2
296.06766	2.1
299.09222	3.6
300.02768	26.2
301.03452	12.5
311.09235	6.0
315.08716	3.0
323.05505	3.1
323.09311	2.2
324.09985	2.3
325.07117	3.7
326.07892	2.6
327.12256	1.8
331.06717	15.5
337.07135	41.6
337.11600	2.4
338.07556	6.6
339.08890	6.9
339.12305	2.1
340.09372	2.1
341.10345	9.8
350.88864	1.6
351.08801	3.8
352.09604	3.7
353.06384	2.1
353.10297	19.8
354.10715	2.5
365.10342	6.1
367.08035	3.2
368.08722	2.5
371.11502	2.3
380.09018	2.7
381.09970	2.7
383.11414	22.4
384.11667	2.9
395.11453	17.1
396.11978	1.9
397.09052	3.1
399.05621	2.9
407.11475	1.7
413.12543	4.8
425.12445	2.9
447.14383	2.5
457.11368	45.4
458.11884	8.9
485.14243	1.8
487.12723	1.8
489.15576	35.3
490.15729	5.1
501.15457	6.4
503.13617	3.9
504.14169	1.6
519.16528	18.6
520.16937	4.2
531.16614	4.1
533.14404	16.6
534.14960	2.6
545.14398	4.5
563.16028	7.0
577.15625	3.3
591.18732	18.0
592.19128	4.3
609.19989	4.5
621.20337	8.1
622.20221	2.3
635.17792	31.7
636.18848	6.4
651.15454	6.4
653.18890	62.0
654.19360	14.6
665.18878	22.3
666.19232	5.2
683.19977	38.6
684.20245	9.3
710.31323	7.3
711.29565	5.2
737.21747	4.2
755.21240	13.6
773.21509	26.2
774.09235	1.6
774.21881	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	771.509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.3
70.01575	0.3
70.01987	0.2
78.01312	0.1
82.32164	0.1
84.19093	0.1
97.86794	0.1
100.38684	0.1
106.50346	0.1
414.67706	0.1
467.91006	0.1
469.33231	100.0
470.33575	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	773.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.0
61.98832	7.5
63.02394	2.1
65.00327	4.4
68.99841	0.5
71.01057	0.6
71.01379	3.1
71.42739	0.9
72.99307	0.8
73.02970	0.7
79.45921	0.4
83.01399	2.4
85.02991	1.3
87.00877	0.8
88.98827	1.5
89.02450	0.8
93.03461	1.0
95.01392	0.6
101.02472	1.2
107.01403	7.7
107.05077	0.4
108.02181	1.5
109.02975	1.9
111.00916	2.7
113.02505	1.2
117.03476	0.9
117.28671	0.5
117.86369	0.4
119.03572	0.6
119.05042	2.5
121.02973	4.4
124.01690	1.2
125.02502	2.3
133.03001	1.6
134.03802	0.7
135.00868	0.8
135.04539	2.3
137.02493	1.3
139.03978	0.5
142.06651	4.5
143.06976	0.8
145.02989	2.3
147.04541	3.6
148.01727	1.1
149.02452	1.4
149.99644	0.4
150.03267	0.6
151.00389	30.8
151.04001	0.7
152.01024	2.0
153.01955	1.2
153.05618	0.7
156.00652	1.1
158.06178	0.6
160.01660	0.9
161.02473	4.8
161.04517	0.7
161.46930	0.5
162.03230	0.9
163.00418	2.9
163.04068	1.7
164.01180	1.6
164.04715	0.6
165.02008	0.8
165.05571	3.9
169.01456	2.6
175.00403	0.8
175.04031	1.2
177.01944	0.5
178.99870	12.4
179.03522	1.0
181.05083	0.7
183.04514	0.5
186.05583	1.3
187.04022	0.9
187.06020	0.5
187.07640	0.8
189.01950	0.5
189.05562	0.9
190.02711	1.1
191.03468	0.6
192.00755	1.0
193.01411	0.9
193.05066	0.5
195.06645	0.8
195.10361	0.8
199.03928	0.7
203.03529	0.9
204.06685	2.5
205.05096	1.3
205.06990	0.7
207.06570	2.3
211.03954	1.1
215.03508	1.0
217.01459	1.4
223.13477	0.8
226.02736	1.3
227.03534	2.9
228.04195	0.7
229.05023	1.7
240.04266	0.7
241.05139	1.1
242.05835	0.5
243.02977	8.7
245.04523	2.0
246.07771	1.6
254.02263	2.6
255.02983	23.3
256.03452	2.6
257.04578	1.1
269.04529	1.0
271.02478	51.5
272.02933	5.6
273.03867	1.5
283.02414	1.1
285.04007	3.7
286.04611	1.1
297.04169	0.8
299.01968	5.5
299.26419	0.5
300.02762	100.0
301.03494	62.4
302.03876	5.6
303.04016	0.6
313.03528	6.7
314.04266	9.3
315.04620	1.0
340.65887	0.4
341.38245	0.5
343.05029	0.6
345.99283	1.0
346.03311	11.9
347.03418	1.4
403.08456	0.5
420.08514	2.3
421.09290	5.0
422.09787	0.6
447.07196	18.4
448.07626	2.4
457.11099	0.7
459.12256	0.7
465.08289	15.0
466.08701	2.8
505.06955	0.6
609.14771	61.5
610.15088	9.8
611.13336	2.5
711.28461	0.7
729.20618	5.2
730.20691	1.7
755.18433	1.2
773.19513	37.0
773.31616	2.6
774.19623	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	771.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
58.00600	0.5
58.00964	0.4
59.01381	10.7
59.35892	0.4
61.98828	0.9
67.01895	1.2
68.99821	0.5
69.03479	0.5
69.61222	2.8
69.61641	1.2
71.01390	12.4
71.18024	0.4
72.99310	2.6
73.02951	1.0
75.00886	5.8
83.01423	1.3
84.02146	0.7
85.02963	18.1
87.00890	4.4
89.02457	6.4
89.03976	2.1
91.05545	2.1
91.47403	0.5
93.03468	0.8
95.01413	2.6
97.02951	0.6
99.00885	4.2
99.95329	0.4
101.02429	2.1
103.00392	0.8
111.00907	4.0
113.02465	15.3
114.02783	0.8
115.00398	1.0
117.01955	0.7
117.03484	10.1
119.03526	1.2
119.05083	0.4
121.02950	1.7
125.02486	0.4
129.01958	4.5
131.03537	0.8
131.07164	0.5
133.03020	2.4
134.03764	78.7
135.04199	3.2
137.02431	0.8
143.03491	0.6
147.04535	2.7
149.02469	13.7
149.03604	0.9
149.04866	0.5
149.06108	6.4
150.02979	0.5
152.01187	3.0
159.03021	1.7
161.02463	9.4
161.04544	0.9
162.02821	0.4
163.03993	2.8
164.04831	11.6
165.01962	0.9
165.05557	2.7
167.03516	0.6
169.05122	1.2
173.08366	0.6
175.00313	0.6
175.02490	1.1
175.03908	0.5
178.02733	0.9
178.73180	0.4
179.03577	0.7
179.05580	2.3
179.07181	5.6
190.02701	1.3
191.05666	6.0
193.01477	7.0
193.05090	100.0
194.05429	6.4
205.05075	1.7
205.07030	0.7
207.04962	0.6
207.06717	1.3
208.03786	19.8
208.80013	0.4
209.06691	20.2
210.07101	0.9
218.04642	0.6
220.35106	0.4
223.06133	54.2
224.06441	3.7
249.06134	3.8
265.07257	0.6
267.07211	39.5
268.07593	2.5
306.07394	0.5
361.16132	0.5
385.11426	95.7
386.11786	12.3
711.31110	1.0
771.20752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
57.46879	0.3
58.00608	0.4
59.01381	6.3
61.22293	0.3
61.98835	11.5
62.82740	0.3
66.26289	0.3
68.99855	0.4
69.03449	0.4
71.01394	3.7
71.71440	0.7
72.99292	0.5
73.02944	1.0
75.00880	0.5
83.01379	1.0
85.02964	2.0
87.00884	0.6
88.98831	0.9
89.02457	1.2
89.03973	1.0
93.03468	13.1
94.03796	0.4
95.01389	0.9
97.02930	0.4
99.00882	0.5
101.02454	2.6
105.03483	0.5
107.01397	0.5
109.02984	0.6
111.00864	0.6
113.02467	2.2
117.03479	9.6
119.05045	45.6
120.05397	1.8
121.02969	1.5
123.04525	1.1
125.02489	1.7
129.03499	0.4
131.01430	0.4
131.05040	0.4
133.02985	3.3
133.05011	0.5
134.03757	10.4
135.04594	4.0
135.06516	0.4
136.01659	1.0
137.02484	0.9
140.84727	0.4
142.06618	1.1
143.03596	0.4
145.02992	8.6
146.03432	0.7
147.04539	1.2
148.01648	0.4
149.02443	2.5
149.04523	0.3
149.05078	0.3
149.06107	2.7
150.03256	1.0
151.00409	1.5
151.04015	1.5
153.01991	0.8
153.05573	1.0
159.04538	0.9
160.01625	0.9
161.02466	17.9
161.04585	0.8
162.02876	0.8
163.04027	5.2
165.05598	1.6
165.12741	0.4
167.03442	0.8
173.02454	9.1
174.02942	0.5
175.00357	3.0
175.02629	0.5
175.03920	1.7
177.02016	0.7
177.05641	1.9
178.02682	1.2
178.99940	0.5
179.03546	4.1
179.05055	0.5
179.05627	0.5
181.05078	0.5
186.05521	0.7
187.00327	0.4
187.04062	2.5
188.01157	3.1
189.01945	12.8
190.02521	0.9
191.03508	2.8
193.05087	5.8
195.06697	0.7
197.04599	0.6
199.00455	0.4
200.67545	0.4
201.02118	0.5
203.03508	5.2
204.06714	1.0
209.08211	0.7
215.03571	1.9
216.03862	0.4
217.01431	63.8
218.01750	4.0
221.04510	2.0
223.76550	0.4
231.03006	9.2
232.03323	0.5
235.02469	0.6
235.06015	0.4
243.02994	5.9
244.03307	0.6
245.04593	0.6
246.07697	0.5
247.02419	2.3
255.02965	1.0
259.02539	0.9
261.04065	0.4
267.06744	0.6
271.02545	1.0
295.06018	2.0
300.02832	2.0
301.03433	1.0
301.10959	0.5
315.10974	0.4
319.06067	0.5
323.07736	1.4
331.06750	0.7
337.07178	84.6
338.07541	10.7
355.08289	1.4
367.08264	8.6
368.08630	0.9
379.08255	2.1
385.09247	1.2
397.09131	0.5
415.10342	0.4
439.10291	1.9
443.12042	0.7
457.11398	100.0
458.11722	14.8
463.09253	0.5
475.12598	3.0
487.12766	1.6
499.12485	0.5
503.14069	3.2
505.13156	0.5
577.15594	6.0
578.15930	0.8
595.16449	2.3
596.17017	0.6
609.25391	0.6
637.21149	0.5
651.17468	2.4
709.27179	4.2
771.20624	4.2
771.33026	0.4
772.19708	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	771.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01385	6.0
60.99301	0.3
61.98833	23.3
65.00317	0.3
67.01874	0.4
68.99835	0.5
69.03449	0.6
71.01392	6.1
72.99316	1.2
73.02955	1.1
75.00883	0.9
83.01394	1.7
85.02966	3.0
87.00882	1.1
88.98809	1.7
89.02454	2.3
89.03970	1.0
93.03473	9.8
95.01417	1.5
97.02973	0.4
98.20569	0.6
99.00896	1.0
101.02451	2.7
102.69616	0.3
105.03452	0.4
107.01427	0.5
107.05065	0.5
108.02205	0.9
109.02990	0.8
111.00908	1.1
113.02464	3.2
116.92858	0.7
117.03484	7.4
117.20390	0.3
119.05048	42.9
120.05362	1.6
121.02989	1.4
122.03746	0.4
123.04564	2.9
125.02470	2.1
125.20451	0.3
129.01959	0.5
131.01384	0.6
132.02206	0.4
133.02969	2.4
134.03769	22.5
135.04614	2.4
137.02483	1.1
137.06012	0.4
139.00403	0.9
139.04027	0.4
142.06625	0.6
143.05077	0.7
145.02983	7.7
147.04526	1.7
149.02463	2.9
149.06111	0.9
150.03221	1.0
151.00400	0.9
152.01205	0.8
153.01883	0.4
153.05602	1.9
159.04538	1.1
160.01694	1.4
161.02470	15.3
161.04637	0.9
162.03069	0.9
163.04030	4.5
164.04800	0.5
165.01950	0.6
165.05595	1.4
167.03496	1.9
168.00676	0.5
169.01451	0.5
173.02464	8.6
174.02867	0.6
174.05576	0.3
175.00404	3.4
175.02628	0.6
175.03972	2.5
176.01125	0.5
177.02020	0.6
177.05745	0.4
178.99905	0.7
179.03474	1.9
180.03876	0.4
181.05072	0.4
186.03160	0.3
187.00418	0.5
187.04004	2.6
188.01131	1.8
189.01958	10.6
190.02544	1.0
191.03539	2.3
191.07114	0.3
193.01448	0.9
193.05069	7.0
194.05399	0.7
195.06758	0.7
199.04178	0.3
199.07535	0.4
201.01997	0.7
202.02831	0.7
203.03510	3.9
204.06630	0.8
205.05089	0.9
205.12321	0.4
207.03027	0.6
207.10199	0.4
215.03529	1.8
217.01424	48.9
218.01788	2.6
220.69304	0.3
221.04468	0.5
230.02209	0.5
231.02995	8.1
232.03389	0.8
233.04500	0.4
235.02536	1.0
235.06030	0.6
243.02982	3.3
247.02417	2.7
249.06126	0.4
255.03119	0.7
259.02499	1.3
267.07233	1.1
271.02475	1.6
271.05508	0.3
273.03973	0.7
285.04007	0.4
295.05966	1.6
299.01971	0.7
299.36627	0.4
300.02762	2.0
301.03409	0.5
313.07266	0.8
315.10992	0.4
319.06348	0.6
331.06830	0.6
335.08051	0.4
336.07895	0.4
337.07178	70.3
338.07501	8.4
349.07288	0.6
351.08563	0.4
353.08920	0.5
355.08258	3.0
356.08548	0.5
367.08215	7.8
368.08612	1.0
379.08264	4.0
380.08572	0.3
385.09283	2.5
397.09018	0.5
409.08997	0.8
415.10263	0.7
439.10092	1.9
440.10883	0.6
457.11401	100.0
458.11765	13.3
475.12552	2.4
487.12503	1.9
499.12631	1.0
503.13919	0.5
505.33792	0.4
523.34729	0.8
577.15692	7.6
578.15948	1.6
584.29633	0.4
595.16583	2.5
609.25574	0.9
633.34753	0.8
651.17206	0.9
652.17712	0.5
663.36212	0.8
667.39026	0.4
691.18774	0.8
709.28333	1.5
727.26788	0.4
771.19757	1.7
771.30408	1.3
772.32111	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	771.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98822	2.7
63.48899	0.4
65.00316	0.6
67.79195	0.5
70.86842	1.1
70.87144	0.5
71.01403	2.0
77.03967	0.6
83.01391	1.0
85.02973	0.6
87.00864	0.5
88.98805	0.5
89.02467	0.8
89.03985	1.1
93.03466	12.5
94.03818	0.9
95.01363	0.5
96.31339	0.5
97.72846	0.4
99.69069	0.5
101.02491	1.0
107.01416	2.0
107.58733	0.5
108.02219	1.0
109.02994	1.1
117.03477	9.9
119.05044	50.3
120.05383	1.7
121.03008	2.5
123.04543	0.7
125.02462	1.0
131.01364	0.7
133.02962	6.1
134.03777	10.2
135.00877	0.6
135.04546	2.2
137.02496	0.6
139.32591	0.5
145.02960	9.5
146.03333	0.5
147.04546	0.8
148.01740	0.7
149.02432	2.0
149.06142	1.5
150.03214	0.5
151.00385	6.6
153.05490	0.7
159.04529	1.0
160.01729	0.8
161.02464	21.8
162.03021	1.1
163.00397	0.8
163.04005	4.7
165.05652	0.6
169.01436	0.8
173.02454	10.3
174.02887	0.7
175.00424	3.6
175.04051	1.1
178.02731	1.0
178.99928	2.7
179.03496	0.9
187.00365	0.6
187.04007	2.7
188.01118	3.1
189.01944	14.1
190.02557	1.0
191.03502	3.5
193.01474	0.5
193.05042	5.0
199.00407	0.6
201.01895	0.8
202.02657	0.7
203.03491	5.3
211.03824	0.6
215.03477	2.6
217.01421	67.5
218.01794	4.0
226.02704	0.8
227.03488	1.1
230.02167	0.7
231.02994	9.4
232.03215	0.7
243.02985	8.6
244.03517	1.0
247.02498	2.4
254.02144	1.0
255.02975	11.7
255.05679	0.6
256.03391	0.9
259.02356	1.0
267.06625	0.7
271.02444	24.6
272.02820	3.2
273.04016	0.9
283.02261	0.6
293.04398	0.5
295.06177	1.6
299.01987	0.6
300.02756	45.9
301.03421	15.4
302.03818	1.2
337.07181	80.3
338.07513	9.9
355.08347	1.3
367.04019	0.9
367.08273	8.8
368.08441	1.0
379.08267	2.7
385.09232	1.6
397.09125	0.7
409.09286	1.2
439.10263	2.1
457.11392	100.0
458.11734	14.7
475.12350	3.7
476.12119	0.7
487.12231	2.3
499.12762	0.7
519.56232	0.6
577.15723	5.3
578.15948	0.7
589.90881	0.6
595.16895	2.5
596.16138	0.7
609.14856	6.7
609.24188	0.7
610.15131	0.7
651.17218	2.6
681.17920	1.1
753.20404	0.8
771.18195	30.5
772.18317	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	771.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01385	6.0
60.99301	0.3
61.98833	23.3
65.00317	0.3
67.01874	0.4
68.99835	0.5
69.03449	0.6
71.01392	6.1
72.99316	1.2
73.02955	1.1
75.00883	0.9
83.01394	1.7
85.02966	3.0
87.00882	1.1
88.98809	1.7
89.02454	2.3
89.03970	1.0
93.03473	9.8
95.01417	1.5
97.02973	0.4
98.20569	0.6
99.00896	1.0
101.02451	2.7
102.69616	0.3
105.03452	0.4
107.01427	0.5
107.05065	0.5
108.02205	0.9
109.02990	0.8
111.00908	1.1
113.02464	3.2
116.92858	0.7
117.03484	7.4
117.20390	0.3
119.05048	42.9
120.05362	1.6
121.02989	1.4
122.03746	0.4
123.04564	2.9
125.02470	2.1
125.20451	0.3
129.01959	0.5
131.01384	0.6
132.02206	0.4
133.02969	2.4
134.03769	22.5
135.04614	2.4
137.02483	1.1
137.06012	0.4
139.00403	0.9
139.04027	0.4
142.06625	0.6
143.05077	0.7
145.02983	7.7
147.04526	1.7
149.02463	2.9
149.06111	0.9
150.03221	1.0
151.00400	0.9
152.01205	0.8
153.01883	0.4
153.05602	1.9
159.04538	1.1
160.01694	1.4
161.02470	15.3
161.04637	0.9
162.03069	0.9
163.04030	4.5
164.04800	0.5
165.01950	0.6
165.05595	1.4
167.03496	1.9
168.00676	0.5
169.01451	0.5
173.02464	8.6
174.02867	0.6
174.05576	0.3
175.00404	3.4
175.02628	0.6
175.03972	2.5
176.01125	0.5
177.02020	0.6
177.05745	0.4
178.99905	0.7
179.03474	1.9
180.03876	0.4
181.05072	0.4
186.03160	0.3
187.00418	0.5
187.04004	2.6
188.01131	1.8
189.01958	10.6
190.02544	1.0
191.03539	2.3
191.07114	0.3
193.01448	0.9
193.05069	7.0
194.05399	0.7
195.06758	0.7
199.04178	0.3
199.07535	0.4
201.01997	0.7
202.02831	0.7
203.03510	3.9
204.06630	0.8
205.05089	0.9
205.12321	0.4
207.03027	0.6
207.10199	0.4
215.03529	1.8
217.01424	48.9
218.01788	2.6
220.69304	0.3
221.04468	0.5
230.02209	0.5
231.02995	8.1
232.03389	0.8
233.04500	0.4
235.02536	1.0
235.06030	0.6
243.02982	3.3
247.02417	2.7
249.06126	0.4
255.03119	0.7
259.02499	1.3
267.07233	1.1
271.02475	1.6
271.05508	0.3
273.03973	0.7
285.04007	0.4
295.05966	1.6
299.01971	0.7
299.36627	0.4
300.02762	2.0
301.03409	0.5
313.07266	0.8
315.10992	0.4
319.06348	0.6
331.06830	0.6
335.08051	0.4
336.07895	0.4
337.07178	70.3
338.07501	8.4
349.07288	0.6
351.08563	0.4
353.08920	0.5
355.08258	3.0
356.08548	0.5
367.08215	7.8
368.08612	1.0
379.08264	4.0
380.08572	0.3
385.09283	2.5
397.09018	0.5
409.08997	0.8
415.10263	0.7
439.10092	1.9
440.10883	0.6
457.11401	100.0
458.11765	13.3
475.12552	2.4
487.12503	1.9
499.12631	1.0
503.13919	0.5
505.33792	0.4
523.34729	0.8
577.15692	7.6
578.15948	1.6
584.29633	0.4
595.16583	2.5
609.25574	0.9
633.34753	0.8
651.17206	0.9
652.17712	0.5
663.36212	0.8
667.39026	0.4
691.18774	0.8
709.28333	1.5
727.26788	0.4
771.19757	1.7
771.30408	1.3
772.32111	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	771.2022
Annotation	Hypolaetin 8-glucoside-3'-rutinoside
Peak:m/z	Relative Intensity
55.28360	0.4
56.78130	0.4
59.01379	2.7
59.15976	0.4
65.00323	1.1
69.91336	2.5
71.01395	3.6
72.99339	0.5
73.02971	0.7
83.01414	1.2
85.02970	1.1
87.00876	3.4
89.02450	0.6
90.38589	0.4
90.64026	0.5
93.03479	1.9
94.30384	0.4
97.02956	0.5
101.02442	0.5
105.03495	0.6
107.01402	2.2
107.05080	0.6
108.96794	0.5
109.02959	1.8
111.00915	1.2
113.02395	0.6
115.00401	3.1
117.03531	0.7
117.63468	0.6
119.05048	8.6
121.02947	2.3
123.00986	0.5
123.04561	0.8
125.02489	2.2
133.02991	1.4
135.00929	0.7
135.04498	0.5
136.01602	0.4
137.02473	1.3
139.04031	0.9
142.06680	0.9
143.05038	0.8
145.02983	1.4
147.04515	1.0
149.02400	0.7
151.00388	8.4
151.04083	0.7
161.04492	0.5
163.00447	1.2
163.04045	0.9
164.01137	0.8
165.02034	1.1
165.05614	0.7
167.03554	1.5
169.01405	0.6
171.04507	0.6
173.02419	0.5
175.00404	1.3
175.02498	4.2
175.03952	1.1
177.01880	1.3
178.99860	2.4
179.03516	0.9
185.17348	0.5
187.04063	1.5
189.01997	0.6
190.99991	0.6
191.03534	0.9
193.01489	2.2
197.04587	0.5
199.03990	2.4
199.07689	0.5
201.01961	1.1
203.03574	1.1
204.06599	0.7
205.01486	0.9
207.03020	0.6
215.03571	1.4
217.01448	1.3
219.03049	0.8
226.02663	0.6
227.03590	2.7
227.07253	0.6
231.03123	0.5
235.02457	1.6
243.02960	4.0
244.03423	0.6
245.00902	0.6
247.02295	0.6
255.02940	5.4
256.03561	0.5
265.03424	0.6
271.02472	57.5
272.02890	5.2
273.04053	0.6
285.04181	0.8
299.01993	100.0
300.02670	34.6
301.03531	40.7
302.03833	3.4
313.03583	1.0
313.07208	4.0
325.07187	0.8
337.07184	1.0
343.04602	1.1
343.08279	0.9
355.08243	9.0
356.08603	1.5
367.08237	1.2
369.09708	0.7
379.08109	0.9
385.09293	5.5
397.09045	1.2
415.10437	1.3
427.10538	0.6
457.11511	0.8
458.12317	0.6
462.08017	13.6
463.08722	5.6
464.09198	0.8
472.52841	0.5
475.12515	9.0
476.12714	1.1
487.12518	1.4
505.12943	1.0
517.13397	1.2
589.15619	0.8
595.07788	0.9
595.16779	13.4
596.17365	2.4
607.16760	1.3
609.14789	33.5
610.14948	4.6
618.04962	0.5
637.18036	0.8
651.16095	1.2
721.77728	0.7
753.20807	0.6
771.20203	69.9
772.20526	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	771.2021
Annotation	Hypolaetin 8-glucoside-3'-rutinoside
Peak:m/z	Relative Intensity
57.03458	0.3
59.01379	2.2
61.98818	0.6
63.02406	0.5
65.00346	0.7
71.01388	1.6
71.71912	0.4
73.02916	0.4
74.02505	0.4
79.98459	0.4
81.03429	0.4
83.01401	1.0
85.02950	0.6
87.00896	1.9
87.01359	0.3
93.03465	1.2
94.49977	0.4
95.01369	0.4
97.02973	0.7
98.43296	0.3
99.00900	0.4
107.01394	1.9
108.02228	0.6
108.47218	0.4
109.02956	2.7
111.00901	1.0
113.02453	0.8
115.00394	1.2
117.03486	0.4
119.05045	6.8
121.02983	2.1
123.00933	0.6
123.03697	0.3
123.04561	1.2
125.02465	2.9
128.00211	0.4
128.01147	0.4
129.02058	0.4
133.03000	0.8
135.04510	0.5
137.02478	1.2
137.06151	0.4
139.04022	0.7
142.06665	1.5
143.05017	0.8
145.02998	1.0
147.04543	1.0
149.02457	1.3
149.06082	0.4
151.00386	8.7
151.04018	0.9
152.00945	0.3
153.01956	0.4
159.04498	0.4
161.02512	2.0
162.49121	0.3
163.00371	1.3
163.04033	1.3
164.01062	0.5
165.01883	0.9
165.05585	0.6
167.03481	0.8
171.04483	0.9
173.02438	0.6
175.00374	1.0
175.02473	1.6
175.03983	1.4
177.01965	1.1
178.99887	2.1
179.03525	0.9
183.04597	0.5
185.06259	0.4
186.05580	0.5
187.04066	1.1
189.01866	0.6
190.02794	0.4
191.03497	1.0
192.00633	0.6
193.01413	1.1
199.04031	2.7
201.01970	1.4
201.05414	0.5
202.02393	0.5
203.03554	0.8
204.06651	0.7
205.01427	0.8
205.05121	0.6
211.03969	0.5
215.03444	1.8
217.01401	0.7
219.02974	0.7
226.02718	0.8
227.03500	2.9
231.02939	0.6
235.02437	0.5
242.02185	0.4
243.02953	4.6
245.04520	0.4
245.08279	0.8
246.07796	0.7
247.02547	0.5
247.92174	0.4
254.02303	0.6
255.02951	5.1
256.03287	0.7
257.04657	0.6
259.02560	0.4
261.08749	1.0
271.02469	57.5
271.37259	0.4
272.02847	5.5
273.03885	0.5
285.03992	1.0
289.07135	5.6
299.01974	100.0
300.02646	35.8
301.03510	31.9
302.03809	2.5
303.05090	1.4
311.63452	0.4
313.03900	0.5
313.07166	1.8
325.07092	0.8
343.04385	0.9
343.08240	0.9
351.13174	0.5
355.08304	2.6
356.08459	0.6
361.16635	0.6
367.08170	1.3
379.08002	0.8
381.09729	0.5
385.09262	2.0
397.09216	0.7
415.09924	0.5
445.13156	0.5
457.11221	0.8
462.08032	12.6
463.08606	6.1
464.09482	0.4
465.10529	0.5
475.12567	3.0
476.12753	0.5
487.12643	1.7
517.13422	1.4
547.14862	0.6
583.79761	0.4
589.15747	0.5
595.16876	3.7
596.17035	0.6
607.16687	1.3
609.14777	38.3
610.15027	7.4
610.24487	0.3
629.84210	0.4
637.17578	1.7
651.16064	1.1
653.17188	0.6
667.19293	0.7
709.20294	0.5
727.20892	0.7
728.21332	0.6
753.20471	0.5
771.20190	67.8
772.20496	16.3
773.96930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.7
61.98840	2.9
63.02400	0.6
65.00338	1.5
70.71056	0.3
71.01389	1.6
71.71426	0.5
72.99316	1.7
73.02939	0.7
81.40374	0.4
82.17506	0.4
83.01393	1.4
85.02956	0.6
85.54849	0.3
88.98815	1.4
89.02448	0.9
93.03476	3.8
101.02458	0.8
103.00312	0.5
105.03461	0.6
107.01404	3.7
108.02187	1.6
109.02965	1.4
113.02443	0.5
117.03481	3.0
119.05048	15.1
120.05333	0.6
121.02980	2.4
123.04553	0.8
125.02499	1.4
133.02983	10.1
134.03772	3.2
135.00888	0.9
135.04567	3.4
145.02969	2.4
147.04573	0.5
148.01700	1.2
149.02437	2.0
150.99176	0.6
151.00389	12.5
151.04001	0.4
153.01987	0.5
153.05585	1.1
159.04538	0.6
160.01665	1.0
161.02467	22.6
162.02849	1.4
163.00398	2.5
163.04013	1.7
164.01207	1.4
164.74278	0.4
165.01909	0.4
165.05562	1.1
169.01491	1.1
173.02426	3.1
175.00433	1.1
175.04024	1.1
177.01953	0.5
178.99907	6.6
179.03488	1.1
182.20544	0.4
187.00395	0.5
187.04027	1.1
188.01237	0.7
189.01949	4.6
190.02762	0.4
190.99841	0.9
191.03476	1.1
192.00583	0.6
193.01364	0.5
193.05002	1.7
195.06709	0.5
199.03957	0.7
201.01988	0.7
201.05589	0.6
203.03616	2.3
211.03947	1.1
215.03456	1.3
216.04303	0.6
217.01421	19.3
218.01767	1.2
226.02708	1.3
227.03503	2.4
229.05006	0.6
231.03044	2.5
239.03442	0.6
243.02988	9.9
244.03424	1.3
245.04552	0.9
253.55676	0.4
254.02243	2.3
255.02971	26.2
256.03436	2.5
271.02469	52.1
272.02997	6.8
273.04013	1.5
283.02432	1.0
295.06186	0.5
299.01959	1.2
300.02762	100.0
301.03409	31.9
302.03934	2.0
331.03540	0.4
337.07175	25.2
338.07626	2.4
343.04630	0.9
355.08224	0.5
367.08328	2.3
379.08051	1.0
439.10135	0.5
457.11392	30.4
458.11942	3.8
475.12299	0.7
487.12076	0.9
577.15649	1.6
595.16553	0.7
609.14777	15.2
610.14740	2.2
771.18091	65.6
772.18439	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	771.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56015	0.4
57.03447	1.0
57.52177	0.5
59.01384	7.4
61.98834	22.2
63.02400	0.8
63.46953	0.4
65.00336	1.5
69.03468	0.8
71.01389	6.1
71.72129	0.7
72.99311	1.0
73.02959	1.3
81.03452	0.5
83.01397	2.8
85.02954	3.1
87.00901	1.1
88.98808	4.0
89.02451	2.3
91.01900	0.5
93.03480	1.0
95.01416	1.7
95.05082	0.5
97.02979	0.7
98.38284	0.4
99.00888	1.0
101.02449	3.1
107.01406	2.6
108.02188	1.6
109.03004	2.2
109.03638	0.5
111.00916	1.9
113.02475	4.0
117.03496	0.6
119.03569	0.8
119.05040	2.1
121.02966	2.2
122.03729	0.7
123.04548	1.3
125.02478	2.9
127.00317	0.7
129.01947	0.5
132.02197	1.4
133.02971	11.0
134.03825	2.0
135.00934	1.3
135.04553	4.7
137.02463	0.8
139.00400	1.3
142.06625	1.1
145.02948	1.0
147.04530	2.5
148.01700	1.5
149.02467	1.3
149.06094	0.7
150.03189	0.8
151.00391	12.2
151.04066	0.9
152.01176	1.1
153.01926	2.5
153.05602	0.9
159.04546	0.5
160.01682	1.5
161.02466	21.6
161.04533	0.9
161.05978	0.5
161.08183	1.0
162.02869	1.0
163.00409	2.3
163.04019	0.9
164.01181	0.8
164.04887	0.6
165.05603	5.4
167.03484	1.2
169.00121	0.4
169.01451	1.6
173.02472	0.6
175.04036	1.4
177.01895	1.0
178.99889	6.0
179.03508	2.4
179.05444	0.4
181.05083	1.1
183.04576	0.9
187.04022	0.7
189.02013	0.9
189.05641	0.6
190.99850	0.6
192.00613	0.6
193.04994	1.2
195.06697	1.0
197.04599	0.7
199.04010	1.0
204.06610	0.5
205.05208	0.8
207.06667	0.5
211.04045	1.0
215.03525	0.8
217.01413	1.4
221.04550	0.5
226.02739	1.1
227.03502	3.1
228.04131	0.6
229.05302	0.5
242.34654	0.4
243.02982	9.3
244.03430	1.0
245.04536	0.9
254.02150	2.1
255.02988	24.4
256.03452	2.3
260.08746	0.4
271.02472	50.9
272.02942	6.3
273.03964	1.2
283.02634	0.8
299.01971	1.4
300.02762	100.0
301.03430	31.2
302.03949	2.1
315.10818	0.5
329.13657	0.4
337.07169	1.0
343.04886	0.6
345.13007	0.5
361.29385	0.7
375.14606	0.5
457.11429	1.8
494.44315	0.5
505.18707	0.9
523.35059	1.5
577.15759	0.5
609.14819	17.5
609.24506	0.9
610.15204	3.3
633.34967	2.6
663.36200	1.4
666.37866	0.9
667.38678	1.7
684.38727	0.6
685.39954	1.0
709.30463	1.0
727.41583	0.8
771.17993	61.5
772.18243	17.6
772.29065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03447	3.2
59.01382	13.1
61.98841	5.1
67.01910	0.7
68.99816	1.0
69.03432	1.1
71.01388	18.5
71.05283	1.1
71.05615	0.9
71.61170	0.6
72.99314	7.0
73.02956	1.3
75.00882	20.1
80.02699	1.3
81.03450	1.6
83.01387	1.3
83.05034	4.9
83.84843	0.6
84.02180	2.2
85.02959	23.7
87.00891	7.4
89.02451	3.3
95.01415	4.5
95.05003	0.6
97.02962	0.7
97.06608	0.8
98.64823	0.6
99.00896	12.5
99.04538	0.6
101.02458	1.4
103.00384	1.8
113.02468	21.9
115.00408	1.9
117.01947	3.2
122.51099	0.6
125.09735	0.9
129.01915	1.9
131.03481	1.0
135.08156	1.4
157.01381	0.9
159.98482	0.6
163.11327	3.8
165.12859	2.6
169.12405	3.1
171.10323	1.3
175.02481	2.3
176.01048	0.7
178.32898	0.7
181.12396	0.6
185.11850	1.0
191.10762	1.4
197.11832	6.0
205.07176	0.9
207.10146	0.6
209.11847	73.3
210.12216	4.4
212.30791	0.6
213.11328	0.8
227.12891	4.9
241.28764	0.7
249.06183	2.0
253.09146	1.0
272.87006	0.6
277.21725	42.4
278.22058	3.8
459.18988	1.3
469.33133	1.0
477.19730	2.0
509.28091	0.8
552.99469	0.7
606.75220	0.7
719.40094	1.5
737.41333	100.0
738.41687	24.3
769.44110	71.9
769.58832	1.5
770.44379	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	770.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98527	0.1
71.70948	0.2
77.93344	0.1
84.86845	0.1
129.37498	0.1
139.55582	0.1
140.13062	0.1
211.13330	0.6
212.13823	0.2
225.95105	0.1
244.13399	0.1
247.30510	0.1
277.21768	0.2
278.22177	0.3
404.62131	0.1
457.65594	0.1
594.66534	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
57.19057	0.4
58.00594	0.4
59.01376	5.4
61.98837	14.6
63.74900	0.5
69.03460	3.6
71.01389	7.1
71.05028	1.7
71.71083	0.8
72.99302	1.3
73.02955	1.5
75.00886	1.9
83.01382	1.2
83.05029	1.2
85.02949	2.6
87.00880	1.3
89.02447	2.2
93.03436	0.5
95.01411	0.8
97.02979	1.5
97.06604	1.3
99.00895	2.1
101.02474	3.7
101.24471	0.5
109.06586	0.9
111.08163	4.4
113.02470	3.4
116.92846	0.5
119.03461	0.8
123.08176	1.2
125.09751	2.2
135.08211	0.5
137.09772	0.4
145.05130	0.4
149.09724	0.5
150.52477	0.5
151.11308	2.7
153.12872	1.7
161.04590	1.5
161.09734	2.9
163.11304	1.3
165.12860	0.6
169.12366	3.1
171.10297	3.1
175.02718	0.5
179.10802	6.7
180.11240	0.5
181.12367	1.8
183.13954	0.5
197.11847	78.6
198.12157	4.7
199.13397	2.1
207.10297	2.7
209.11853	5.2
211.13394	3.9
223.09756	1.4
225.11334	4.4
227.12840	1.5
235.08228	0.7
241.10851	3.2
243.12346	1.6
253.09348	3.1
263.20175	1.0
265.18005	0.5
289.18060	1.1
291.19592	2.8
307.19174	0.8
309.20715	4.9
331.20779	0.5
385.75238	0.5
461.20407	0.6
477.19971	1.4
671.33130	0.7
751.41241	0.9
769.40436	100.0
770.40826	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	769.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.0
59.01383	17.6
59.11235	1.1
61.98837	10.6
70.35472	1.4
71.01387	24.7
71.72028	1.6
72.99306	8.3
73.02950	3.6
75.00880	28.0
81.03472	3.6
83.01378	2.5
83.05025	5.2
84.02175	1.8
85.02964	28.9
87.00889	9.3
89.02469	3.7
95.01402	8.5
99.00895	17.2
103.00380	2.3
113.02464	23.6
115.00355	1.6
117.01942	4.5
125.09682	1.5
129.01942	2.9
151.34567	1.2
157.01431	1.4
163.11304	4.9
165.12883	1.6
175.02507	2.9
191.10709	1.8
209.09853	2.6
209.11842	51.3
210.12137	3.6
227.12938	3.1
249.06088	5.1
253.09346	1.8
273.80008	1.5
277.21738	80.9
278.22119	8.1
306.78824	1.4
527.28601	4.1
719.39557	1.7
737.41333	100.0
738.41827	27.7
769.44110	91.7
769.58716	2.8
770.44342	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	769.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01386	7.1
59.06846	0.5
60.99305	1.4
61.98835	26.1
63.02410	0.8
65.00352	1.6
67.98623	0.5
71.01384	5.5
71.71909	1.2
72.99330	1.5
73.02962	1.6
75.00883	0.8
80.30489	0.5
83.01402	2.2
85.02954	3.3
87.00896	0.8
88.98817	5.1
89.02469	2.7
93.03448	1.6
93.71093	0.5
95.01390	1.1
96.96033	0.9
99.00867	0.8
101.02450	3.2
107.01399	3.1
109.02965	1.2
111.00917	1.1
113.02493	2.2
116.92860	1.0
117.03479	1.2
119.03551	0.8
119.05090	1.4
121.02991	1.1
123.04499	0.7
125.02485	2.6
132.02188	10.4
133.02989	10.6
134.03789	5.8
135.00916	1.3
135.04559	4.3
137.02475	1.9
145.03003	2.4
147.04585	2.6
149.02480	1.2
149.06108	1.5
150.03207	1.0
151.00377	6.6
151.04034	0.7
153.01959	1.5
153.05728	0.9
159.04533	1.0
160.01685	30.4
161.02473	36.4
162.02876	2.3
163.00406	2.4
163.04074	1.0
164.01196	1.0
165.01872	0.9
165.05594	6.7
166.05942	0.6
169.01443	1.1
169.06592	0.7
175.02710	0.8
175.04030	21.5
176.04568	1.1
177.05559	0.8
178.02763	1.0
178.99857	1.4
179.03503	3.4
183.04552	1.6
185.06094	1.2
187.04057	2.8
189.05605	1.7
190.02744	0.8
193.01425	0.7
193.05078	2.3
195.06688	1.2
199.04013	0.9
200.04878	0.7
203.03549	0.9
204.06691	0.8
206.02127	0.7
207.03069	1.1
209.11810	0.6
211.04051	3.4
212.04784	0.9
213.05557	1.0
217.05055	0.9
227.03520	43.6
228.03874	4.1
229.05106	5.3
233.00990	1.2
239.03619	2.0
240.04276	1.2
241.05055	1.1
255.02994	85.1
256.03528	12.7
257.04504	4.2
263.12753	0.7
269.04474	0.7
271.02573	0.8
283.02448	6.0
284.03275	98.8
285.03976	42.7
285.07794	0.6
285.08582	0.8
286.04379	4.3
298.04785	2.8
299.02240	0.8
299.05591	9.0
300.05927	0.8
313.10294	0.5
315.05087	0.7
327.04910	0.9
328.05106	0.6
344.20261	0.7
411.07199	1.0
469.13437	1.1
541.12177	0.8
563.32660	0.7
575.13574	0.9
593.15759	2.8
607.16791	1.9
769.20111	100.0
770.20428	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	768.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.18351	0.1
61.98833	100.0
62.98534	0.2
63.20161	0.1
66.54285	0.1
71.01404	0.2
81.18966	0.1
85.02991	0.1
87.87449	0.1
98.20724	0.1
101.02457	0.1
103.65392	0.1
108.55667	0.1
113.02552	0.1
118.81804	0.1
140.23318	0.1
146.44817	0.1
159.90393	0.1
175.00316	0.1
209.11867	0.1
244.65167	0.1
250.20026	0.1
252.10117	0.1
276.84131	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	768.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80100	0.4
59.01382	10.3
61.98833	2.4
62.80718	0.3
63.29386	0.3
64.05560	0.3
71.01388	5.6
71.71749	0.5
72.99319	2.7
73.02959	1.1
75.00859	0.6
83.01414	0.7
85.02950	2.1
87.00890	1.1
88.98804	0.5
89.02451	3.6
95.01383	0.7
101.02447	2.9
111.00865	0.5
113.02491	2.0
115.00383	0.6
115.01962	0.4
116.05093	3.1
117.03474	0.9
119.03517	1.5
119.75337	0.3
121.02980	0.6
123.04537	5.8
125.02451	0.5
127.56788	0.4
128.05081	0.8
129.01935	0.6
130.06624	1.3
132.02177	0.7
132.04599	0.4
133.02977	23.0
134.03247	1.0
135.04553	12.7
135.05295	0.2
137.02464	0.9
139.00362	0.4
142.06644	70.1
143.06992	5.2
144.04590	0.7
145.02971	0.8
145.24899	0.4
147.04604	0.4
149.04822	0.4
149.06123	0.8
150.03290	1.2
151.04095	0.4
153.05606	5.5
154.05977	0.4
157.17490	0.4
158.06137	8.9
159.06459	0.6
160.01677	0.5
161.02464	100.0
162.02805	5.4
163.04016	0.4
165.05588	1.5
166.06012	0.5
169.05049	0.7
175.02473	1.1
175.03923	0.6
177.05602	1.1
179.03517	5.9
179.05269	0.5
179.05571	0.4
181.05171	0.5
186.05621	28.9
187.05975	1.6
195.06595	0.7
204.06670	44.3
205.06985	3.8
206.07477	0.4
221.04564	1.3
233.00906	0.4
246.07710	28.3
247.07945	2.9
281.06528	0.9
300.02673	1.3
301.03351	0.4
314.18872	0.4
315.10757	3.4
323.07764	3.5
329.14020	1.2
341.13800	0.6
370.83490	0.4
463.08765	0.7
477.14026	92.1
478.14377	13.7
503.19058	3.3
555.34595	0.4
579.13312	0.8
768.27332	0.6
769.25885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.1
61.45530	0.4
61.98837	2.0
65.54922	0.4
71.01383	2.2
71.10587	0.3
71.71069	0.4
73.02935	0.4
80.96535	1.9
82.96087	0.4
85.02956	0.9
87.00921	0.4
89.02461	1.7
94.98065	0.4
101.02460	2.6
113.02478	1.4
116.21981	0.5
119.03529	0.5
122.13635	0.4
143.03535	0.4
149.35104	0.4
161.04564	0.7
167.10730	0.5
167.14467	0.5
183.13907	6.4
193.12311	1.5
211.13408	100.0
212.13750	7.6
233.27937	0.4
235.08238	3.1
247.89841	0.4
253.09271	7.6
277.21729	73.6
278.22055	6.3
429.21356	1.5
447.22311	7.9
448.22586	0.9
513.30603	1.1
653.58002	0.5
707.43591	0.7
767.41858	3.9
768.42737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98827	1.0
63.96224	1.9
69.03461	0.6
70.39347	1.4
70.39756	1.2
71.01388	6.1
73.02953	1.4
73.83746	0.6
78.95937	0.9
78.98595	6.7
79.30472	0.6
79.95748	13.3
80.96526	64.2
81.03458	0.7
85.02959	2.8
87.00882	2.5
94.98094	15.3
96.96016	1.3
97.02974	1.4
101.02461	2.4
106.98101	2.8
110.47974	0.7
113.02483	1.0
114.17072	0.6
121.09058	0.6
122.97636	3.1
125.02480	2.9
131.20161	0.6
134.97615	4.7
136.99202	1.1
140.89680	0.6
148.99170	6.6
152.98666	6.7
164.98654	12.7
165.98909	0.9
190.75476	0.7
206.99702	3.8
225.00751	20.9
226.01096	1.3
255.23233	2.7
256.23587	0.9
383.22208	0.6
430.73798	0.6
509.17029	3.8
537.27209	1.1
571.91553	0.7
648.83667	0.7
765.41260	100.0
766.41571	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	766.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
60.01704	0.1
61.98829	0.4
64.89847	0.1
71.01389	0.3
71.71307	0.2
72.00909	0.4
72.99317	2.4
74.02484	0.7
75.00867	0.1
89.02464	0.2
93.03494	0.1
101.02431	0.2
107.05036	0.6
107.89396	0.1
111.00958	0.1
112.07751	0.1
113.02486	0.2
116.05082	3.7
121.06615	0.3
125.02415	0.2
128.05072	1.2
129.10373	2.1
130.06653	1.6
132.04558	0.4
132.05821	0.5
133.02957	0.2
133.06618	1.6
134.06148	0.4
139.08769	0.5
140.05093	0.2
140.07211	0.5
142.06645	100.0
143.06992	5.4
143.11923	0.1
144.04573	0.6
144.59514	0.1
146.03787	0.1
147.04601	0.1
148.07681	0.6
150.03236	0.2
150.09285	0.4
151.08797	0.3
155.08290	1.2
157.12335	0.4
158.06134	12.0
159.06490	0.6
160.07683	0.7
161.02437	0.4
161.04582	0.1
162.09262	0.2
163.11166	0.1
164.04834	0.2
165.05583	0.5
169.09789	0.2
172.04140	0.1
176.07188	0.1
177.05621	0.2
179.08368	0.8
185.11839	0.3
186.05623	40.6
187.05975	2.6
187.10950	0.2
188.07188	0.5
192.09055	1.0
193.09514	0.2
194.08253	0.4
195.06642	0.3
203.12917	2.2
204.06670	65.7
205.07001	4.1
205.09811	1.5
221.09300	0.9
222.12488	0.2
223.74745	0.1
224.08064	0.8
224.17668	0.2
225.16077	0.2
230.24356	0.1
232.06110	0.2
242.18730	2.7
243.19044	0.1
245.13937	1.2
246.07707	45.5
247.08066	3.4
249.08842	1.2
249.16174	0.2
263.17749	0.7
266.11453	11.0
267.11856	0.8
281.19778	0.2
301.15509	0.1
331.06372	0.1
334.17694	0.1
344.16220	0.1
370.24976	0.3
376.25858	0.3
387.08316	0.1
414.23801	0.6
431.26624	1.6
432.27176	0.2
458.23044	0.2
475.25610	38.1
476.25937	6.3
476.32938	0.2
762.99750	0.1
767.25568	0.2
789.55133	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	764.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98831	100.0
62.98544	0.2
70.69083	0.1
71.01389	0.3
83.79745	0.1
85.02985	0.1
88.98822	0.2
89.48570	0.1
93.83076	0.1
100.58564	0.1
101.02515	0.1
108.78096	0.1
113.02482	0.1
116.92822	0.1
123.95168	0.1
168.28535	0.1
209.11824	0.1
210.12169	0.1
211.13376	0.2
223.13431	0.1
229.75598	0.1
261.25977	0.1
765.45520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19394	0.1
59.01371	0.6
60.99310	16.5
61.66003	0.1
61.98827	2.3
65.67190	0.1
66.26501	0.1
71.01382	0.4
72.93894	0.1
72.99313	0.5
73.02959	0.2
84.87785	0.1
87.00901	1.1
88.00418	2.2
88.01213	0.2
88.98819	100.0
89.02451	13.5
89.99160	1.4
90.02776	0.2
98.19855	0.4
101.02459	0.2
109.32911	0.1
113.02441	0.2
211.13443	0.3
229.52623	0.2
277.21759	0.4
397.13599	0.9
398.13831	0.2
415.14722	0.2
776.09271	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83809	0.5
57.37186	0.5
59.01368	1.0
61.98840	2.4
63.96240	2.1
69.03465	0.6
71.01385	8.4
71.28698	1.4
72.99311	0.6
73.02959	1.3
78.98604	7.2
79.95747	12.6
80.96528	75.1
81.03464	0.7
83.01360	0.5
87.00898	2.9
94.98101	18.1
95.01398	0.5
96.96026	1.7
97.02959	1.8
99.00900	0.5
101.02476	2.9
103.43046	0.5
104.83391	0.5
106.98106	3.7
113.01747	0.5
122.97619	4.0
125.02478	3.1
127.04055	0.6
134.97623	6.2
136.99188	1.4
144.28076	0.5
146.97566	0.5
148.99162	7.4
152.98666	6.6
164.98659	14.8
206.99695	4.4
209.11867	1.3
225.00758	28.4
226.01134	1.2
255.23299	2.1
267.67569	0.5
283.05026	0.7
397.62018	0.5
506.39572	0.6
509.17151	3.3
537.27448	1.2
765.41296	100.0
766.41632	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.1
59.01376	0.7
60.99309	0.2
61.98832	100.0
62.98533	0.2
71.01392	1.0
71.70820	0.1
71.71245	0.1
73.02957	0.4
74.93057	0.1
83.01405	0.2
85.02959	0.6
87.00898	0.2
88.98824	1.5
89.02460	0.1
101.02433	0.6
108.25625	0.1
109.60923	0.1
113.02486	0.3
125.02477	0.1
134.03787	0.1
144.80537	0.1
160.01759	0.2
161.04578	0.1
171.10315	0.4
172.10666	0.2
175.04004	0.1
193.87398	0.1
310.21231	0.1
374.69769	0.1
455.35281	3.4
455.41571	0.2
532.19336	0.1
572.25671	0.1
599.39905	0.2
617.40735	0.7
762.46484	0.2
763.46851	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	763.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.5
59.73301	0.3
61.39426	0.2
61.98837	4.7
69.50540	1.8
69.50961	0.8
71.89812	0.2
77.10104	0.2
83.42064	0.2
85.44360	0.2
88.98862	0.3
97.06596	0.5
114.66143	0.2
116.19508	0.3
117.04842	0.3
127.95923	0.2
171.26788	0.3
176.55135	0.3
195.13942	3.0
196.14404	0.3
205.12350	0.5
219.13895	0.5
223.13394	3.3
224.13802	0.3
228.13637	0.4
233.15477	0.5
252.36758	0.3
256.13269	0.4
261.26132	0.3
264.99939	0.3
265.21802	0.3
275.20135	2.0
293.21231	57.5
294.21594	5.5
339.23187	1.2
351.97006	0.3
354.25519	1.4
386.24567	1.3
440.33243	0.3
447.81909	0.3
451.32159	1.1
452.32938	0.3
457.33365	0.4
467.32272	0.3
468.32382	0.3
469.33246	100.0
470.33578	16.6
752.52844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
58.63045	0.5
59.01381	8.3
61.98836	3.8
67.01877	0.7
70.57916	2.3
71.01387	12.6
72.99321	5.7
73.02961	1.0
75.00878	15.4
83.01382	1.3
83.05035	2.4
84.02151	1.0
85.02962	19.5
86.31516	0.5
87.00889	4.7
89.02448	2.5
92.56197	0.6
95.01411	4.2
97.06681	0.6
98.19822	0.6
99.00885	10.2
103.00397	1.6
113.02468	15.4
114.02843	0.6
115.00390	1.6
116.92868	0.6
117.01965	2.8
125.09721	1.8
127.11304	1.8
129.01981	1.2
139.00499	0.6
155.10721	0.7
157.01370	0.9
163.11270	0.7
165.09254	0.8
166.70531	0.6
175.02484	2.6
199.09688	1.0
201.11324	16.7
202.11655	1.0
209.11859	16.0
210.12231	1.4
227.12813	0.9
249.06090	1.7
255.23351	1.6
256.23718	0.6
280.58902	0.6
283.26425	68.2
284.26706	8.0
533.33466	1.2
694.49231	0.6
717.44702	7.5
718.44238	1.4
729.41962	1.7
743.46063	39.8
744.46503	11.7
761.47205	100.0
762.47504	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
61.98846	1.2
63.96236	1.8
71.01387	10.5
73.02926	1.6
78.98602	9.0
79.95742	14.4
80.96523	77.9
81.03436	0.8
83.40876	0.9
85.02950	3.0
87.00878	4.8
94.98093	19.1
96.96021	1.2
97.02968	1.5
99.00922	1.0
101.02437	3.3
106.98090	3.1
122.97595	4.3
125.02438	4.0
134.97601	6.0
136.99164	1.6
148.99181	7.5
152.98627	7.5
164.98650	14.5
206.99722	2.7
209.11833	9.9
223.13544	0.9
225.00742	22.8
255.23271	17.8
256.23557	2.5
260.84735	1.0
332.16904	1.0
505.17477	3.0
537.27155	1.4
549.73199	1.2
613.62659	1.1
761.41724	100.0
762.42151	30.5
786.32733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
57.34583	0.2
59.01382	4.4
61.98834	23.9
69.64504	1.3
69.64935	1.1
70.66356	0.3
71.01393	3.7
72.99318	0.5
73.02950	0.9
75.00883	0.6
83.01393	1.0
85.02967	2.1
87.00896	0.6
88.98821	0.6
89.02469	1.1
91.51498	0.4
93.03467	3.1
95.01404	0.9
95.05102	0.3
96.51386	0.3
96.96024	1.0
97.02985	0.6
99.00909	0.7
101.02470	2.3
105.03500	1.1
108.02181	0.8
109.02982	0.8
111.00901	0.6
113.02483	1.5
117.03489	1.1
119.03510	0.3
119.05048	1.8
121.02974	12.3
121.03854	0.6
121.06535	0.3
122.03774	8.7
123.04518	1.1
124.01679	0.5
125.02485	1.0
132.02193	9.8
132.03160	0.6
133.02994	4.6
134.03766	19.6
135.04587	4.0
136.01689	1.1
137.02444	1.3
137.06161	0.4
139.03992	0.3
142.06671	0.7
145.02960	1.0
147.04521	1.6
148.01709	0.3
149.01254	0.6
149.02466	18.5
149.06111	3.5
150.03247	55.3
151.03548	3.0
153.05618	0.3
158.06143	0.4
159.04504	0.4
160.01678	48.6
161.02405	4.2
161.04633	0.5
161.06056	0.6
163.04015	1.6
164.04828	4.0
165.05589	46.7
166.05945	1.8
167.03461	0.7
171.30173	0.3
175.04025	60.7
176.04366	3.9
177.01923	0.8
177.05598	1.1
178.02692	1.0
179.03563	2.0
179.05696	0.3
179.07190	0.4
180.04315	4.1
181.04919	0.9
186.05486	0.3
188.85962	0.3
189.05574	0.3
190.02679	0.6
191.03506	1.2
191.07092	0.4
192.04117	0.7
193.05089	11.5
194.05472	0.8
195.06645	21.6
196.06998	1.0
203.03520	0.4
204.06644	0.7
205.05067	0.7
205.06693	0.9
207.06685	0.8
218.05206	0.3
221.06181	1.3
222.06754	0.5
223.07724	0.6
227.16347	0.4
233.04153	1.5
233.06313	0.9
234.06892	1.5
235.07658	0.9
238.06377	0.8
239.07123	3.3
245.04419	0.5
249.05664	0.6
250.06381	4.4
251.07245	0.4
253.08678	1.5
254.09439	1.2
263.05649	0.5
265.08655	0.9
267.06610	2.2
273.82681	0.3
275.05554	0.5
282.08984	9.5
283.09485	1.1
297.07849	0.6
297.11389	1.4
298.08591	0.4
309.07770	0.6
313.10858	0.7
323.07706	0.3
324.66885	0.3
325.10297	0.3
326.07932	0.4
339.08875	2.1
340.09421	0.4
341.10327	23.2
342.10663	3.1
343.12631	0.3
355.08295	0.7
356.08789	0.4
357.08826	0.5
369.09695	0.9
371.11374	1.3
381.09616	0.8
389.12082	0.3
459.12787	1.5
508.20419	0.3
509.20810	0.3
521.21051	0.4
550.23724	1.0
565.26587	100.0
566.26953	19.3
599.20966	0.6
698.31976	0.6
713.32062	19.5
714.32391	5.7
743.33167	1.3
761.35510	3.3
762.34265	0.9
786.09210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04633	0.4
55.01854	0.5
57.03439	1.7
59.01089	0.7
59.01379	13.6
61.98822	1.9
67.01894	0.9
67.45493	0.4
68.99790	0.5
69.03437	1.0
69.75483	1.4
69.75914	2.0
71.01386	9.9
72.99316	4.6
73.02943	1.6
75.00879	8.9
81.03435	0.7
83.01391	1.1
85.02964	16.5
86.03260	0.5
87.00455	0.5
87.00896	5.7
89.02447	2.0
93.03471	1.3
95.01408	4.2
97.02975	0.8
99.00885	5.3
99.04497	0.8
101.02451	1.4
103.00387	1.1
106.80226	0.5
108.02160	0.6
109.02943	1.7
111.00891	2.7
113.02463	17.3
115.00378	1.5
117.01943	1.5
119.05047	0.9
121.02973	48.9
122.03281	2.1
123.04513	0.5
125.02437	0.7
127.04046	2.5
129.01968	1.5
133.02933	0.9
134.03818	0.6
135.03006	0.5
135.04550	0.9
137.02437	0.4
139.00414	2.3
143.04643	0.4
147.04451	0.7
149.02454	0.5
151.00441	0.6
155.03535	2.2
159.94498	0.5
161.02449	0.7
161.08150	0.7
163.04109	0.6
165.05571	1.7
166.02669	0.5
167.03534	0.8
173.04465	0.8
175.02509	3.0
175.07692	0.5
179.03659	0.7
193.03479	0.4
193.05106	0.8
195.06563	0.5
197.36333	0.5
199.02492	2.0
201.63438	0.4
206.08223	0.5
209.06702	0.6
231.05109	2.1
249.03748	0.6
249.06166	9.5
283.97412	0.4
333.44739	0.4
353.08896	0.5
371.09839	100.0
372.10129	9.7
387.09235	0.8
411.09805	0.5
514.12402	1.8
514.62024	0.5
709.19318	0.7
727.19617	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	759.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01378	8.0
61.98835	5.2
62.92435	0.3
69.03470	0.7
71.01391	3.1
71.04117	0.3
73.02951	0.7
83.05031	0.6
85.02964	1.2
87.00889	0.9
89.02456	1.4
96.35423	0.3
97.02959	2.1
97.06564	0.7
98.20638	0.7
99.00919	0.4
99.08138	0.3
101.02451	2.5
107.05080	0.3
111.08173	1.9
111.52169	0.4
113.02481	1.7
116.73970	0.3
119.08622	0.3
123.08163	0.5
125.06132	0.3
125.09747	1.4
127.11327	1.9
137.09712	0.7
145.05110	0.6
151.11288	0.3
153.09262	0.6
161.04543	1.2
163.11285	0.4
163.67270	0.3
165.12868	1.4
167.34898	0.2
169.12360	0.9
171.10291	100.0
172.10637	6.0
179.05586	0.5
179.14479	0.5
181.12367	0.8
183.14000	0.4
185.11836	0.3
193.12321	0.4
197.11847	10.3
198.12186	0.6
199.13431	0.3
209.11848	3.7
210.12183	1.2
211.13422	2.5
219.38878	0.3
223.13524	0.4
227.12920	2.1
229.39021	0.4
232.69527	0.3
235.08232	5.3
247.20674	1.3
249.41971	0.3
253.09297	11.5
254.09586	0.5
263.20184	0.5
273.18643	0.8
290.38760	0.3
291.19669	17.4
292.20081	2.0
294.21475	0.4
295.22842	0.9
309.20724	37.9
310.21152	4.5
311.22183	1.1
312.22681	1.1
313.22876	0.6
400.28809	0.3
407.19257	5.0
408.19525	0.6
463.30609	1.1
517.62659	0.4
527.28827	1.5
545.29718	2.1
759.41724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
61.98833	100.0
71.01399	0.2
74.04462	0.2
93.39365	0.1
101.02467	0.2
112.22626	0.2
125.02541	0.2
132.06618	0.2
134.04761	0.5
135.76443	0.2
171.10315	0.5
172.10730	0.3
327.30698	0.2
470.62994	0.2
501.32410	1.0
502.32578	0.3
554.30835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.0
60.08657	2.4
61.57572	2.3
61.98512	4.0
61.98835	59.6
71.01376	5.7
71.71119	2.3
78.95914	11.8
83.05025	3.8
85.62412	2.9
100.90051	2.7
118.97302	2.3
152.99606	7.3
156.05701	2.6
171.10269	3.5
209.11848	100.0
210.12119	7.6
227.12962	21.7
253.09264	13.0
271.68854	3.1
277.21732	66.6
278.22086	10.8
445.20752	9.5
649.40350	2.8
759.41266	31.5
760.42834	7.2
777.73059	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	759.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.9
61.98837	21.3
62.88651	1.4
71.01416	1.6
78.95921	5.0
83.05022	2.7
101.02418	1.8
113.02494	2.1
152.99591	5.8
209.11842	67.0
210.12222	4.0
227.12875	18.4
235.08229	10.5
253.09311	12.1
277.21735	100.0
278.22116	8.3
279.23148	2.3
331.95621	1.7
340.55289	2.0
445.20535	4.1
513.30695	4.8
579.75116	1.8
627.35541	2.2
759.41370	31.2
760.41736	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	759.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
55.62578	0.5
57.03438	1.7
59.01120	0.8
59.01385	7.7
61.98823	0.9
67.01897	1.1
68.99812	1.0
69.03454	0.8
71.01395	9.2
71.09940	1.9
71.79945	0.6
72.54162	0.6
72.99320	1.7
73.02934	1.1
75.00884	10.8
80.65975	0.6
81.03465	0.8
83.01385	0.6
85.02970	10.6
87.00894	2.8
89.02460	1.7
93.03456	1.1
95.01395	2.8
99.00901	6.2
99.04587	0.6
103.00396	0.6
104.28732	0.6
109.02924	0.7
111.00914	0.8
113.02469	12.2
113.95757	0.7
115.00417	0.8
117.01948	1.6
119.05089	0.6
121.02980	49.9
122.03312	1.8
129.01920	0.9
157.01242	0.6
161.02425	0.7
175.02521	1.8
175.56503	0.6
177.77098	0.6
188.47609	0.5
189.04077	0.7
191.37596	0.7
209.04659	0.6
231.05116	2.3
249.06155	30.1
250.06587	1.6
290.15408	0.5
337.07373	0.9
353.08820	0.8
371.09866	100.0
372.10220	11.4
457.11362	1.3
639.17279	0.8
663.70526	0.7
759.21552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03455	1.8
57.66953	0.6
59.01385	11.7
59.36434	0.6
60.99301	2.4
61.98832	17.8
69.03498	0.7
69.58379	4.5
69.58784	1.2
71.01389	11.6
72.99311	2.8
73.02945	1.7
75.00885	8.0
83.01397	2.1
83.05035	0.7
85.02969	9.9
87.00888	3.9
88.98824	11.5
89.02464	3.1
93.03461	2.9
95.01406	2.7
99.00875	5.6
101.02467	2.9
103.00433	0.8
105.03493	0.8
109.02957	1.1
111.00899	1.1
113.02467	12.5
115.00393	1.2
115.09218	0.6
116.92860	1.1
117.01960	1.4
117.03501	0.8
119.03535	1.3
119.05064	2.1
121.02972	9.1
122.03774	9.4
123.04588	1.5
124.01733	1.1
125.02442	1.8
129.02023	1.2
129.09238	53.2
129.96501	0.6
130.09567	1.9
132.02177	9.9
133.02980	4.2
134.03761	18.8
135.04588	4.2
136.01715	1.3
137.02437	1.2
145.02916	1.2
147.04547	1.7
149.02469	16.9
149.03600	1.0
149.06081	3.6
150.03249	55.2
151.03618	3.0
152.01138	0.6
153.01926	0.8
153.05621	0.6
153.09193	0.7
160.01677	53.0
161.02435	6.4
162.03026	1.4
163.04019	1.0
164.04807	3.1
165.05591	49.3
166.05968	2.5
175.04021	67.5
176.04375	4.0
177.01971	1.0
177.05637	0.8
178.02748	1.5
179.03572	2.1
179.05659	1.0
180.04324	4.1
189.12912	0.8
190.02794	0.8
191.03490	0.9
191.07121	1.2
193.05075	13.0
194.05562	1.3
195.06635	22.2
196.07019	1.9
204.06717	0.6
205.05081	0.9
219.13931	1.6
221.06111	1.8
221.08116	0.7
222.14784	0.7
223.06042	0.8
223.08070	0.7
231.04982	0.8
234.06784	1.1
235.06160	1.9
239.07129	1.6
245.07062	0.6
249.06145	7.9
250.06395	2.7
251.07016	1.3
253.08694	1.2
254.09271	1.1
265.75436	0.6
267.06894	2.3
282.08936	6.6
283.09433	1.1
323.07657	0.7
326.07947	0.7
341.10309	24.4
342.10834	3.4
355.11557	0.7
361.15244	1.2
362.72415	0.6
371.11365	1.3
379.16107	83.9
380.16446	8.6
383.11224	1.6
389.12656	0.7
563.25049	100.0
564.25366	18.4
696.29285	1.2
697.30963	1.1
711.30524	8.1
712.30463	2.6
759.33270	9.4
760.33044	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	759.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89925	0.2
59.01382	10.1
68.99812	0.4
69.83456	0.5
69.83865	1.3
71.01387	0.8
72.99311	1.2
81.03464	0.3
81.84201	0.3
83.01405	0.4
85.02955	0.3
87.00882	1.0
93.03471	9.6
94.03825	0.4
95.01395	0.3
101.02460	0.5
101.03931	0.3
101.74728	0.2
105.03486	0.3
108.02185	0.2
109.02960	0.4
111.00932	0.6
113.02429	0.4
115.00419	0.9
117.03491	5.2
119.05046	38.2
120.05399	1.8
121.02973	43.2
122.03299	2.0
123.04553	0.3
125.02444	0.4
133.03001	1.8
135.04509	1.3
136.01715	0.2
142.06628	1.7
143.05096	0.4
145.02983	6.5
146.03276	0.3
147.04547	21.8
148.04890	2.1
149.02486	1.6
150.03186	0.6
151.04019	0.4
156.93613	0.3
158.06148	0.6
159.04549	0.6
161.02473	11.3
162.02905	0.5
163.04039	3.1
165.05588	20.4
166.05939	1.4
167.03519	0.6
173.02454	7.1
174.03027	0.6
175.00426	1.7
175.02493	4.5
175.04015	1.2
176.01180	0.4
177.01907	0.5
177.05565	0.3
179.03543	0.9
181.05083	10.5
182.05414	0.6
186.05641	0.9
187.00473	0.5
187.04019	2.3
188.01132	1.7
189.01962	9.3
189.90060	0.3
190.02428	0.6
191.03508	2.7
193.01474	0.3
193.05142	0.4
199.00380	0.3
201.01930	0.4
201.05600	0.3
203.03526	3.6
204.03828	0.3
204.06648	2.0
205.01341	0.5
205.05072	0.5
207.06645	12.4
208.06972	1.4
209.04608	0.3
215.03561	1.2
217.01424	44.5
218.01833	2.6
219.02960	0.7
221.04475	0.7
229.01416	0.3
230.02161	0.5
231.02983	6.2
232.03377	0.5
233.04587	0.4
235.02490	0.6
243.03035	3.5
246.07729	1.0
247.02464	2.2
259.02560	0.4
263.05615	0.4
267.06625	0.4
273.04028	0.5
291.06488	0.4
295.06140	0.8
307.06369	0.3
316.09421	0.3
319.06067	0.5
337.07175	65.4
338.07513	7.9
338.11432	0.5
339.08701	0.3
355.08231	0.9
357.09891	0.6
367.08261	4.7
368.08539	0.5
379.08347	1.9
385.09280	0.9
387.11554	0.3
397.09164	0.5
409.09302	0.5
418.26669	0.3
439.10358	1.0
457.11401	100.0
458.11743	15.7
458.18320	0.6
475.12701	0.6
487.12305	1.7
489.14050	1.0
499.12210	0.4
500.12601	0.3
500.51266	0.2
507.15222	3.3
508.15228	0.5
538.08429	0.3
559.14691	0.3
577.15680	8.5
578.15894	1.4
595.16718	0.4
607.74786	0.3
639.17334	1.5
640.17749	0.4
759.21875	2.9
760.22296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46087	0.8
57.03428	1.2
59.01384	11.2
60.01707	0.8
61.98835	48.9
67.01890	0.8
69.03488	1.1
71.01389	9.6
71.72092	1.2
72.99321	1.4
73.02943	3.4
75.00864	0.8
81.03467	0.8
83.01390	2.8
83.05035	6.1
85.02962	5.5
87.00892	2.2
87.25501	0.6
88.98814	3.1
89.02464	3.1
90.13725	0.7
93.03448	3.7
95.01400	1.6
99.04552	0.8
101.02456	11.7
105.01901	0.8
105.03475	0.9
108.02173	1.8
109.02969	1.4
111.00892	7.2
113.02473	6.2
114.44297	0.7
115.00406	1.1
116.92878	1.9
117.03472	1.3
119.05048	3.7
121.02977	10.5
121.06603	1.3
122.03764	9.1
123.04551	11.1
124.01696	1.3
125.02450	3.3
132.02199	2.5
133.02983	11.3
134.03769	35.6
135.04607	5.5
136.01691	3.7
136.04912	0.7
137.02509	6.2
139.04164	0.9
142.06612	0.9
143.03619	1.1
145.02988	2.1
147.04558	12.2
148.05325	5.9
149.02475	20.6
149.04959	0.4
149.06113	15.0
150.03252	83.8
151.00339	1.9
151.03990	5.2
152.01178	1.2
153.01944	0.8
153.05588	14.1
154.06009	1.2
159.04454	1.3
160.01677	18.6
161.02470	11.4
161.04539	1.7
161.06012	0.8
162.02979	1.5
162.06871	0.9
163.04025	2.1
163.07672	1.2
164.04837	4.6
165.05589	100.0
166.05945	7.0
167.03497	2.1
168.00699	0.9
173.06076	1.0
174.03235	1.0
175.02644	1.0
175.04024	29.8
175.07559	0.8
176.04808	29.3
177.01938	7.4
177.05426	1.6
178.02736	19.4
179.03409	2.9
179.07111	1.1
180.04341	6.8
189.05588	1.2
190.02757	1.4
191.03540	1.7
191.07161	37.9
192.04291	2.2
192.07515	2.2
193.05080	90.5
194.05460	5.2
195.06642	50.5
196.07011	2.9
204.06644	0.9
205.05095	2.0
205.06871	0.8
206.05804	0.9
207.06630	1.9
207.10207	0.8
212.60109	0.9
217.05058	3.6
219.03088	0.9
220.03773	5.9
221.08157	1.8
233.04466	1.4
235.06117	65.3
236.06517	4.8
239.07214	0.9
243.03030	0.9
247.06090	2.4
249.05573	1.0
250.06442	2.4
253.08835	0.8
255.02840	1.5
256.03378	0.8
265.07050	10.3
266.07507	1.3
267.06812	1.1
271.02374	1.3
272.02982	0.9
282.08966	6.7
285.03970	1.7
295.08167	11.4
296.08618	2.0
300.02737	1.0
301.03323	1.7
311.09467	1.0
315.10840	4.8
327.12326	0.9
337.07233	1.8
339.08899	1.6
340.09589	1.1
341.10297	20.7
342.10611	1.2
355.11819	3.3
357.09592	0.9
368.08841	0.8
376.20126	0.9
383.11380	12.2
384.11630	1.0
389.12448	94.6
390.12759	11.9
395.11481	0.8
431.13492	56.2
432.13904	8.5
441.21552	0.8
442.21408	1.0
443.13486	2.4
448.07751	1.2
457.11328	1.9
461.14581	9.9
462.14938	2.7
473.15027	1.7
491.15613	45.7
492.16064	7.0
513.83185	1.0
551.17572	4.5
561.23987	1.3
611.14807	1.0
695.29272	2.6
753.70520	0.8
757.19684	1.9
757.32574	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	757.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03448	1.6
58.00598	0.5
59.01381	8.9
60.86613	0.2
61.98831	0.4
67.01886	0.9
68.99821	1.2
69.03455	0.8
70.48627	0.8
71.00987	0.4
71.01388	8.7
72.01723	0.4
72.99312	2.1
73.02946	1.4
73.50187	0.2
75.00880	10.9
81.03466	0.4
83.01402	0.8
85.02959	12.2
87.00884	2.8
89.02462	2.1
91.04021	0.6
93.03478	1.0
95.01389	3.0
97.02969	0.5
99.00897	5.4
101.02419	0.6
103.00376	0.9
109.02968	0.5
111.00878	0.8
113.02470	12.1
114.02777	0.3
115.00394	1.2
115.03981	0.3
117.01955	1.8
121.02976	49.7
122.03316	2.2
129.01958	0.9
130.99887	0.3
133.02974	1.0
134.03726	0.3
135.04547	0.3
139.00388	0.3
147.04501	0.3
157.01407	0.5
161.02484	4.4
162.02794	0.3
175.02499	1.5
179.03552	0.3
189.04103	1.0
193.05121	0.7
194.30020	0.2
209.06766	0.5
231.05090	3.6
249.06151	34.5
250.06567	1.7
353.08716	0.7
371.09848	100.0
372.10193	9.8
385.11423	5.4
386.12021	0.3
501.77740	0.3
673.27740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2751
Annotation	Rhusemialin B
Peak:m/z	Relative Intensity
54.71394	0.5
57.03440	0.7
58.00589	0.6
59.01386	11.4
60.99311	15.1
61.98835	18.0
69.03466	0.6
71.01385	9.0
72.99323	2.3
73.02952	1.3
83.01399	1.9
85.02964	3.6
87.00899	2.9
88.98819	100.0
89.02458	4.4
89.03983	0.9
89.99182	1.2
91.01908	1.0
93.03482	1.5
95.01392	1.1
97.02976	0.8
98.20631	1.0
99.00902	0.7
101.02456	5.1
108.02216	0.8
109.02972	0.8
111.00871	1.4
113.02464	3.4
116.92879	0.6
117.03475	4.2
119.01412	1.5
119.03530	0.9
119.05036	3.5
120.05463	0.4
121.02972	3.3
122.03742	0.6
123.04546	1.3
124.01747	0.4
127.05589	0.5
132.02205	21.2
132.57622	0.4
133.03017	4.7
134.03767	43.9
135.04478	3.1
136.01689	0.9
137.02455	3.5
138.03317	0.6
139.00453	0.6
139.04068	0.8
142.06683	0.4
143.03514	0.7
145.02975	1.6
147.00890	1.0
147.04546	11.9
148.05222	1.5
149.02472	10.9
149.06122	6.7
150.03270	5.0
151.00397	1.2
151.04054	2.2
152.01163	0.6
153.01958	1.3
153.05652	1.1
158.03752	0.8
160.01683	73.4
161.02432	7.7
161.04555	0.8
161.06067	0.4
162.03117	1.1
163.04001	2.9
164.04825	6.7
165.01915	1.2
165.05588	22.5
166.02757	0.5
166.05942	1.1
173.06082	1.0
174.03201	0.8
175.00446	9.4
175.04027	70.7
176.01147	1.3
176.04753	8.6
177.01976	1.4
177.05554	1.7
178.02736	4.4
179.03500	1.9
179.05685	0.7
179.07153	1.0
180.04237	1.0
181.05096	0.7
187.04021	1.3
188.04730	0.6
189.05577	3.2
190.02750	18.0
190.06386	0.9
191.03500	2.5
191.07144	9.2
192.04276	1.1
192.07600	0.8
193.05083	42.3
194.05490	2.5
195.06645	1.6
202.06270	0.6
203.07188	1.7
205.05078	18.0
206.05759	2.2
207.06624	4.4
208.03703	0.8
209.04623	0.6
217.05019	0.8
217.08755	0.7
220.03838	1.6
220.07472	1.6
221.04683	1.0
221.08188	3.1
223.06131	8.4
229.48795	0.6
235.06131	23.9
235.09741	0.8
236.06451	1.3
237.07764	0.5
243.02977	0.7
247.06241	0.5
251.05595	0.8
255.03006	1.1
256.03320	0.7
265.07150	13.5
266.07520	0.8
271.02432	2.3
272.02863	1.2
273.03149	0.7
281.06656	0.6
295.08252	13.1
296.08670	1.0
299.02063	0.9
300.02802	2.3
301.03180	3.4
302.03528	2.2
303.04178	0.8
325.09378	2.7
333.78397	0.5
341.10251	1.2
355.10416	3.2
356.12741	0.5
361.16446	3.0
371.15137	1.1
385.11658	0.7
387.14645	1.5
389.12396	8.9
389.16959	0.6
390.12714	0.6
401.16144	3.9
402.16232	0.5
431.13339	0.9
496.96838	0.5
519.18677	0.5
549.19794	1.3
563.21497	0.8
581.22949	0.7
639.34430	0.6
652.40247	1.3
653.40674	0.7
667.39069	1.0
670.41400	0.9
671.41199	0.8
757.27740	49.4
758.27936	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	757.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03444	1.4
58.00596	0.4
59.01380	8.5
61.98810	0.2
67.01879	0.7
68.99815	1.2
69.03475	0.9
70.93246	0.4
70.93618	0.4
71.01385	9.7
72.67278	0.2
72.99316	2.5
73.02947	1.1
75.00879	10.4
77.04020	0.2
81.03436	0.5
83.01386	0.8
83.05039	0.4
84.02173	0.3
84.12439	0.2
85.02958	12.0
87.00885	3.4
87.85220	0.2
89.02464	2.3
91.04022	0.5
93.03460	0.7
95.01397	3.3
97.02956	0.5
99.00895	5.8
99.01516	0.4
101.02450	0.8
103.00389	1.3
103.04029	0.2
106.00277	0.2
109.02965	0.6
111.00903	1.2
111.04491	0.4
113.02464	12.8
113.26878	0.2
114.02818	0.2
115.00397	1.2
117.01944	2.0
117.03419	0.3
121.02969	54.6
122.03297	2.1
125.02451	0.4
129.01952	1.6
130.99872	0.3
131.03476	0.2
133.02980	2.9
134.03767	1.6
135.04593	0.9
139.00395	0.4
146.76111	0.2
147.04520	0.6
149.02451	0.5
151.00346	0.3
157.01414	0.6
159.02977	0.2
161.02461	12.7
162.02774	0.7
165.05548	0.7
174.52106	0.2
175.02525	1.5
175.03856	0.3
179.03513	0.5
189.04047	0.9
191.05626	0.2
193.05043	2.4
195.49432	0.2
205.01567	0.3
207.06590	0.3
209.06636	2.1
223.06073	0.5
231.05103	3.2
249.06146	34.4
250.06482	1.9
311.07797	0.3
350.61591	0.2
353.08624	0.8
369.09723	0.3
371.09830	100.0
372.10193	10.1
385.11395	15.1
386.11716	1.4
500.92743	0.2
757.23297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03448	0.5
58.00589	0.3
59.01381	3.9
60.99290	0.1
61.15041	0.1
61.98835	5.2
62.98539	0.1
69.03455	0.6
69.60473	0.9
71.01388	3.7
71.05025	0.3
72.99313	0.3
73.02958	0.7
75.00914	0.1
78.27795	0.1
79.95738	0.1
80.02691	1.1
80.96523	0.2
81.03468	1.4
83.01392	0.6
83.05034	4.4
84.02170	0.5
85.02946	1.1
86.00136	0.1
87.00888	0.8
89.02454	2.1
89.14722	0.1
93.03476	0.2
95.01408	0.2
95.05023	0.7
97.02961	2.1
97.06613	0.5
97.90699	0.1
98.85661	0.1
99.00901	0.2
101.02457	3.0
106.04256	0.2
107.05055	0.2
109.06644	0.7
111.00921	0.1
111.08176	2.8
113.02463	1.7
115.04021	0.2
116.92865	0.3
119.02722	0.1
119.03511	0.5
119.05058	0.2
119.08687	0.2
121.10213	0.1
123.04546	0.2
123.08208	0.3
125.02480	0.2
125.06094	0.5
125.09749	0.9
127.07700	0.2
127.11289	0.2
135.08165	0.6
137.09761	0.8
139.11395	0.1
141.09152	0.2
143.03493	0.6
145.05086	0.5
145.10260	0.2
149.09683	0.2
151.11275	0.4
153.09203	0.2
153.12872	0.5
155.10806	0.1
161.04581	1.4
161.09735	0.1
163.11307	4.1
164.11635	0.2
165.09283	0.1
165.12856	3.5
166.10057	0.1
166.13239	0.1
167.10753	0.2
169.12332	1.1
171.10281	4.0
172.10570	0.2
177.12895	0.1
179.05588	0.5
179.10867	0.2
179.14351	0.3
181.12347	1.3
183.13921	0.5
185.11841	0.4
189.23859	0.1
191.10802	0.8
191.14362	0.1
192.11050	0.2
193.12422	0.4
193.16019	0.3
195.13927	0.4
197.11844	13.9
198.12148	0.8
199.13416	2.4
201.11327	0.3
207.10278	0.7
209.11839	100.0
210.12172	7.4
211.13419	4.3
212.13715	0.4
217.15999	0.1
221.15454	0.1
223.13388	0.4
225.11311	1.6
226.11708	0.3
227.12895	15.2
228.13210	1.1
229.14241	0.2
235.08243	3.3
236.08540	0.2
247.20651	1.1
248.21080	0.2
253.09277	12.2
254.09654	0.7
263.20151	0.8
265.18057	0.4
273.18506	0.5
275.20166	0.3
289.18304	0.2
291.19659	15.7
292.20016	1.6
293.21219	2.4
294.21536	0.2
307.18997	0.1
309.20718	35.0
310.21051	3.6
311.21698	0.1
325.20328	0.2
370.01285	0.1
445.20807	1.6
446.20697	0.2
463.21704	0.8
501.32266	0.4
519.33270	0.2
527.28577	0.3
545.29401	0.6
546.30121	0.2
737.41266	0.3
755.42548	1.0
756.43372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14672	0.1
55.01884	0.2
57.03445	0.5
58.00594	0.4
59.01380	3.7
61.98830	2.2
66.72634	0.1
66.91873	0.1
69.03460	0.8
71.01386	3.4
71.05032	0.2
71.41544	0.2
71.41869	0.2
73.02953	0.6
80.02686	1.2
81.03467	1.0
81.87469	0.1
83.01405	0.4
83.05034	4.9
84.02177	0.7
84.05372	0.1
85.02956	0.9
87.00895	0.5
89.02454	1.9
93.03484	0.2
93.07098	0.1
95.01398	0.2
95.05024	0.7
97.02959	2.1
97.06586	0.5
99.00938	0.2
101.02451	3.4
101.03090	0.2
109.06608	0.7
111.04530	0.2
111.08177	3.4
113.02464	1.8
113.14978	0.1
119.03548	0.6
119.08700	0.2
121.10282	0.1
123.08183	0.2
125.02492	0.3
125.06095	0.7
125.09716	0.8
127.07679	0.3
135.08186	0.5
136.05499	0.1
137.09726	0.5
143.03513	0.3
145.05072	0.4
147.11852	0.2
151.11270	0.3
153.09271	0.1
153.12830	0.5
157.05116	0.1
161.04605	1.4
163.11310	3.9
164.11617	0.3
165.12868	3.8
166.10017	0.1
169.12364	1.3
171.10297	1.8
179.05617	0.3
179.14450	0.2
181.12387	1.3
183.13934	0.6
185.11830	0.3
191.10800	1.0
193.12360	0.5
193.16040	0.4
197.11845	16.0
198.12225	1.1
199.13382	1.4
207.10300	0.3
209.11839	100.0
210.12161	6.5
211.13399	3.5
212.13811	0.3
223.13374	0.5
223.15575	0.1
225.11377	0.3
227.12891	12.5
228.13219	1.1
235.08223	3.1
236.08487	0.2
247.20653	1.4
248.21172	0.2
253.09279	12.9
254.09592	0.5
263.20203	0.9
264.20126	0.2
265.18066	0.4
273.18576	0.9
291.19653	18.2
292.20023	1.8
293.21213	0.7
309.20715	41.5
310.21057	4.0
310.23724	0.1
328.62738	0.1
378.96237	0.2
433.20587	0.3
445.20691	1.1
446.21338	0.2
456.18564	0.1
501.32056	0.5
527.28558	0.3
545.29688	0.9
661.38037	0.1
755.42523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.3
60.01721	0.5
71.01384	0.8
71.54698	0.6
72.99316	4.0
89.02473	0.5
101.02484	0.3
108.02209	0.3
119.03607	0.3
119.05046	5.9
131.07169	0.8
133.02985	0.3
135.04613	0.3
147.04544	100.0
148.04877	4.7
156.99361	0.3
161.02463	0.7
165.05591	83.5
166.05919	5.0
173.08231	0.5
177.01776	0.3
207.06641	66.1
208.06973	4.4
409.37033	0.3
546.15631	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	755.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
56.90081	0.9
57.03444	3.6
57.18153	0.9
58.00589	1.7
59.01382	70.0
59.52036	0.8
60.01712	1.0
60.99314	1.3
61.98833	58.3
67.56713	0.8
69.03451	2.4
70.89616	1.5
70.89949	1.8
71.01390	48.2
72.01718	1.3
72.99320	2.0
73.02954	13.3
75.00865	2.3
77.42683	0.8
80.96532	2.2
83.01395	7.4
83.05031	0.8
85.02965	26.9
86.00108	1.4
87.00883	6.1
88.98815	8.1
89.02452	15.2
90.02837	0.8
91.36140	0.8
93.03469	2.2
95.01398	6.6
97.02962	2.8
98.68529	0.9
99.00900	5.2
99.04473	0.9
101.02463	32.5
109.02996	1.0
111.00912	4.2
112.01687	1.5
112.07362	0.8
113.02470	24.5
114.02877	0.9
119.03502	4.3
119.05029	2.4
121.02964	1.3
123.04546	2.3
123.08167	1.2
124.01670	1.8
125.02470	8.2
129.01950	1.0
133.02971	3.6
134.03755	2.4
135.04561	4.4
137.02481	1.9
143.03535	3.6
145.02974	2.4
147.04572	0.9
149.02469	1.3
150.03178	1.6
151.00365	3.3
151.04016	1.0
153.05597	1.4
159.03050	2.9
160.01613	2.2
161.02478	11.6
161.04550	5.2
162.02930	1.0
163.04051	1.1
164.04750	1.4
165.05598	2.8
167.03513	1.0
175.04010	3.2
178.99922	1.2
179.03481	2.3
179.05779	1.8
188.07156	1.2
190.02795	2.4
193.04965	1.9
195.06627	0.9
205.05099	2.4
207.10226	0.8
209.11803	1.4
211.07655	1.0
223.06161	1.5
225.00711	1.2
227.03540	1.2
255.02922	3.2
265.07089	1.6
271.02444	4.1
284.03214	2.4
285.03976	2.6
297.12021	0.9
299.25842	1.0
300.02625	4.9
301.03534	2.5
315.10883	1.5
345.30176	5.3
457.11417	1.2
489.34222	3.6
507.35565	5.9
508.35883	1.3
651.39722	100.0
652.40106	22.0
669.40778	54.6
670.41064	11.1
711.41943	40.1
712.42224	10.6
755.19342	4.3
755.29968	6.1
756.19049	1.7
756.31995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	47.0
59.52876	0.3
60.01725	0.5
61.00051	0.3
61.98845	0.4
71.01395	0.9
71.71712	0.5
72.99310	4.1
73.21966	0.2
78.36300	0.3
80.86506	0.3
85.02981	0.4
85.06610	2.2
88.69510	0.3
89.02478	0.3
93.03423	0.2
100.20789	0.3
100.50831	0.3
101.02422	0.5
111.00951	0.4
113.02477	0.4
113.06120	2.6
117.03520	0.3
119.05050	6.9
125.02436	0.5
131.03494	0.3
131.07166	19.5
132.07550	0.5
133.02985	1.9
135.04558	1.5
142.06656	0.9
147.04546	100.0
148.04872	5.5
161.02463	5.2
162.03116	0.3
165.05595	89.6
166.04552	0.3
166.05939	5.3
173.08214	8.9
174.08530	0.7
175.02510	0.4
175.03951	0.4
179.03516	1.3
186.05667	1.0
189.05589	1.3
193.04996	0.4
199.70796	0.3
204.02756	0.3
204.06662	1.0
207.06645	66.0
208.06998	4.4
221.04593	0.3
246.07587	0.7
267.07196	0.4
271.02396	0.3
300.02710	0.5
413.10675	0.4
482.11835	0.4
519.14893	2.0
537.16138	4.5
538.16278	0.8
755.21912	0.5
756.21027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03451	1.7
58.00596	1.1
59.01383	19.5
60.01717	0.7
60.99309	2.5
61.98834	100.0
63.02398	1.0
65.00323	2.4
67.01913	0.8
69.03462	0.9
71.01387	19.1
71.71856	0.7
72.01719	0.5
72.99323	3.1
73.02958	2.9
80.96550	0.8
81.03491	0.6
83.01398	8.0
85.02966	6.6
87.00897	2.0
88.98819	11.9
89.02458	5.2
93.03492	1.3
94.04447	0.5
95.01404	7.2
97.02966	1.0
99.00901	1.8
99.04548	0.5
101.02460	8.9
102.02789	1.0
107.01407	5.0
108.02192	2.4
109.02975	1.9
109.51828	0.5
110.49456	0.5
111.00883	2.7
113.02461	10.3
114.02786	0.7
114.05643	0.8
115.00381	0.5
116.92915	0.7
117.03496	2.1
119.03531	1.9
119.05053	5.7
121.02951	3.8
124.01698	1.0
125.02470	4.9
126.83102	0.5
127.00355	2.5
129.01967	0.9
132.02222	0.6
133.02959	0.8
134.03789	2.4
135.00914	1.0
135.04527	1.3
137.02464	1.3
139.00400	4.5
143.03545	0.7
145.02957	4.9
147.04553	12.0
148.01672	2.0
148.04903	1.2
149.02409	1.0
149.06210	0.4
150.03247	1.1
151.00389	16.4
151.03847	0.5
152.01147	0.6
153.02011	0.6
157.01517	0.9
159.02998	0.8
159.04523	0.8
160.01698	1.4
161.02475	2.7
161.04561	1.3
162.04971	0.6
163.00397	2.1
163.04012	1.6
164.01167	1.1
164.04784	0.7
165.01930	0.6
165.05591	24.0
166.05972	1.4
167.03535	0.6
169.01472	2.5
171.04694	0.5
175.02684	0.5
175.03964	2.5
176.01279	0.5
178.99886	7.4
179.03525	0.5
181.08571	0.5
183.04543	0.5
187.02524	0.7
187.04083	0.7
189.05630	3.3
190.02769	1.5
193.01431	0.7
193.05090	1.5
199.04024	1.2
201.01865	0.5
203.03636	1.0
203.05653	0.6
205.05075	1.1
211.04048	1.1
215.03493	0.9
216.04234	0.8
217.05040	0.5
226.02695	1.3
227.03551	2.9
229.03482	1.5
235.05986	0.5
243.02991	11.0
244.03342	1.0
245.04547	1.2
247.04620	1.1
254.02211	1.8
255.02988	25.5
256.03351	2.2
271.02472	56.6
272.02939	5.6
273.03894	1.3
283.02487	0.8
288.66144	0.5
299.01901	2.6
300.02762	86.9
301.03488	40.7
302.03992	3.2
311.09467	0.7
321.08481	0.7
329.13831	2.0
352.95468	0.5
463.25238	0.6
488.32785	0.8
489.34006	2.0
506.33826	0.7
507.35468	5.9
537.78723	0.5
549.35864	0.9
591.14075	1.0
593.13062	2.3
609.14697	8.0
610.14978	1.4
617.35529	10.1
618.36072	0.8
635.12457	1.3
639.34174	0.7
647.36603	6.2
649.38116	1.1
650.38464	8.5
651.38953	5.6
667.38757	0.8
668.39502	5.8
669.39789	3.6
710.41083	2.5
711.30487	0.7
711.41675	3.2
755.18591	60.2
756.18799	14.2
756.32123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1863
Annotation	Variabiloside F
Peak:m/z	Relative Intensity
55.01883	0.5
57.03451	1.7
58.00596	1.1
59.01383	19.5
60.01717	0.7
60.99309	2.5
61.98834	100.0
63.02398	1.0
65.00323	2.4
67.01913	0.8
69.03462	0.9
71.01387	19.1
71.71856	0.7
72.01719	0.5
72.99323	3.1
73.02958	2.9
80.96550	0.8
81.03491	0.6
83.01398	8.0
85.02966	6.6
87.00897	2.0
88.98819	11.9
89.02458	5.2
93.03492	1.3
94.04447	0.5
95.01404	7.2
97.02966	1.0
99.00901	1.8
99.04548	0.5
101.02460	8.9
102.02789	1.0
107.01407	5.0
108.02192	2.4
109.02975	1.9
109.51828	0.5
110.49456	0.5
111.00883	2.7
113.02461	10.3
114.02786	0.7
114.05643	0.8
115.00381	0.5
116.92915	0.7
117.03496	2.1
119.03531	1.9
119.05053	5.7
121.02951	3.8
124.01698	1.0
125.02470	4.9
126.83102	0.5
127.00355	2.5
129.01967	0.9
132.02222	0.6
133.02959	0.8
134.03789	2.4
135.00914	1.0
135.04527	1.3
137.02464	1.3
139.00400	4.5
143.03545	0.7
145.02957	4.9
147.04553	12.0
148.01672	2.0
148.04903	1.2
149.02409	1.0
149.06210	0.4
150.03247	1.1
151.00389	16.4
151.03847	0.5
152.01147	0.6
153.02011	0.6
157.01517	0.9
159.02998	0.8
159.04523	0.8
160.01698	1.4
161.02475	2.7
161.04561	1.3
162.04971	0.6
163.00397	2.1
163.04012	1.6
164.01167	1.1
164.04784	0.7
165.01930	0.6
165.05591	24.0
166.05972	1.4
167.03535	0.6
169.01472	2.5
171.04694	0.5
175.02684	0.5
175.03964	2.5
176.01279	0.5
178.99886	7.4
179.03525	0.5
181.08571	0.5
183.04543	0.5
187.02524	0.7
187.04083	0.7
189.05630	3.3
190.02769	1.5
193.01431	0.7
193.05090	1.5
199.04024	1.2
201.01865	0.5
203.03636	1.0
203.05653	0.6
205.05075	1.1
211.04048	1.1
215.03493	0.9
216.04234	0.8
217.05040	0.5
226.02695	1.3
227.03551	2.9
229.03482	1.5
235.05986	0.5
243.02991	11.0
244.03342	1.0
245.04547	1.2
247.04620	1.1
254.02211	1.8
255.02988	25.5
256.03351	2.2
271.02472	56.6
272.02939	5.6
273.03894	1.3
283.02487	0.8
288.66144	0.5
299.01901	2.6
300.02762	86.9
301.03488	40.7
302.03992	3.2
311.09467	0.7
321.08481	0.7
329.13831	2.0
352.95468	0.5
463.25238	0.6
488.32785	0.8
489.34006	2.0
506.33826	0.7
507.35468	5.9
537.78723	0.5
549.35864	0.9
591.14075	1.0
593.13062	2.3
609.14697	8.0
610.14978	1.4
617.35529	10.1
618.36072	0.8
635.12457	1.3
639.34174	0.7
647.36603	6.2
649.38116	1.1
650.38464	8.5
651.38953	5.6
667.38757	0.8
668.39502	5.8
669.39789	3.6
710.41083	2.5
711.30487	0.7
711.41675	3.2
755.18591	60.2
756.18799	14.2
756.32123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1865
Annotation	Variabiloside F
Peak:m/z	Relative Intensity
57.03450	1.0
59.01379	5.7
61.98834	22.9
63.02416	1.1
65.00324	1.2
67.23478	0.6
70.29778	1.8
71.01388	5.4
72.99316	0.5
73.02966	1.0
77.83897	0.6
79.91315	0.5
83.01405	2.2
85.02955	3.9
87.00912	1.3
88.98827	3.3
89.02464	1.7
93.03519	1.1
95.01427	1.0
98.20500	0.7
99.00917	1.4
101.02468	2.6
107.01414	4.0
108.02203	1.5
109.02975	1.6
111.00892	0.8
113.02469	3.6
117.02015	0.5
117.03484	2.1
119.05027	3.1
121.03013	2.0
123.04566	1.5
124.01737	0.6
125.02483	1.7
129.09225	6.7
133.02943	3.3
134.03770	0.9
135.00897	1.3
135.04538	2.4
136.04887	0.5
137.02446	0.8
142.06638	0.8
145.02975	5.7
148.01738	1.4
149.02469	1.3
151.00395	11.9
152.01027	0.6
153.01939	0.8
160.01685	0.7
161.02460	8.3
163.00389	1.9
163.04018	1.5
164.01161	0.7
164.04784	0.8
164.07130	0.6
165.05566	1.0
167.03557	0.6
169.01477	0.7
175.04045	1.5
175.19554	0.7
176.01111	0.8
178.99890	6.2
179.03506	2.3
187.02458	0.5
188.07256	0.6
190.02777	1.6
191.03557	1.2
193.05075	0.9
196.21008	0.6
203.03569	1.1
204.06604	0.6
205.05125	1.7
209.11919	0.7
211.03981	1.2
212.04791	0.6
215.03427	0.8
217.01454	0.9
223.06078	1.0
226.02625	1.6
227.03488	3.9
229.01543	0.7
243.02966	11.3
244.03432	1.1
245.04355	0.8
249.06197	1.0
254.02171	3.0
255.02968	28.2
256.03430	2.9
271.02469	55.9
272.02838	6.3
273.03885	0.8
283.02414	0.9
284.03400	1.0
284.62823	0.6
299.01849	2.5
300.02768	100.0
301.03436	33.1
302.03912	1.5
337.07013	0.8
379.16071	10.9
380.16412	0.7
428.59790	0.7
430.17975	0.7
457.11133	0.9
519.18958	0.6
609.14764	19.1
610.14758	1.9
624.46155	0.6
651.39655	3.6
669.40955	0.8
671.72571	0.6
711.42615	0.7
738.04413	0.6
755.18591	65.9
755.30072	2.3
756.18884	16.1
756.32043	0.9
761.88062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36517	0.2
59.01369	0.7
61.98827	3.0
63.02402	1.1
65.00327	1.8
71.01376	0.4
71.13438	0.4
78.04359	0.2
79.26088	0.2
83.01386	1.4
85.02966	0.3
85.65891	0.2
88.98833	0.8
91.01916	0.3
93.03492	0.5
95.01410	0.2
101.02456	0.4
107.01404	2.9
108.02189	1.6
109.02961	1.4
112.37067	0.2
113.02428	0.3
117.03487	3.2
119.01369	0.2
119.05038	1.6
121.02981	2.0
123.04554	0.4
124.01653	0.3
125.02414	0.5
133.02966	0.6
135.00903	0.8
135.04550	0.7
137.02463	0.5
139.04124	0.2
145.02982	6.6
146.03282	0.3
147.04500	0.2
148.01703	1.6
149.02493	0.3
151.00401	13.3
152.00900	0.7
153.01935	0.4
153.05562	0.3
159.04510	0.4
161.02499	1.6
163.00406	2.3
163.04036	0.8
164.01154	1.1
165.05573	0.3
167.03561	0.4
169.01439	0.8
175.00461	0.2
175.04021	0.6
177.05548	0.2
178.99887	6.1
179.03429	0.2
180.00214	0.5
183.04578	0.5
187.03983	0.6
190.02744	0.4
190.99915	0.7
192.00610	0.5
193.01399	0.4
193.05209	0.3
198.03294	0.4
199.04088	1.2
200.04604	0.3
201.01958	0.4
201.05531	0.6
203.03532	0.5
204.06644	0.3
205.05110	0.4
209.00851	0.3
209.42821	0.2
211.04002	1.2
212.04254	0.2
213.01971	0.2
215.03491	0.8
216.04204	0.8
226.02705	1.7
227.03499	4.2
228.04076	0.5
229.05063	0.7
239.03442	0.2
243.02980	12.7
244.03516	1.6
245.04489	1.0
254.02228	2.4
255.02982	30.6
256.03384	2.7
257.04556	0.4
271.02466	63.9
272.02930	6.7
273.03915	0.8
283.02457	0.8
284.03204	0.4
285.03818	0.3
297.03833	0.3
299.02100	2.3
300.02756	100.0
301.03427	30.9
302.03912	2.4
313.03421	0.5
343.04572	0.5
447.07135	0.8
591.13495	0.5
609.14777	12.5
610.15106	2.5
755.18585	65.4
756.18939	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	755.1862
Annotation	Variabiloside F
Peak:m/z	Relative Intensity
52.75038	0.2
55.51472	0.2
56.45661	0.2
56.47723	0.3
57.03452	0.2
57.61397	0.2
59.01375	1.1
61.98831	3.2
63.02401	0.6
65.00326	1.9
67.03363	0.2
69.64956	0.9
69.65378	0.9
71.01389	0.6
73.02950	0.3
83.01398	1.4
85.02972	0.5
88.98822	0.4
89.02475	0.3
90.45618	0.2
91.01932	0.4
93.03468	0.3
95.01410	0.3
101.02462	0.4
107.01398	3.2
108.02191	2.1
109.02979	1.3
113.02402	0.3
115.14218	0.2
117.03483	2.9
119.05060	1.6
121.02961	2.2
123.04530	0.3
125.02466	0.7
133.02998	0.7
134.03676	0.4
135.00879	1.1
135.04520	0.4
137.02402	0.3
145.02977	6.3
146.03413	0.3
148.01666	1.4
149.02452	0.6
150.03229	0.3
151.00389	12.7
152.00861	0.5
153.01959	0.4
159.04596	0.4
161.02472	1.4
162.03011	0.2
163.00424	2.3
163.04070	0.7
164.01144	0.9
165.05440	0.3
169.01443	0.7
174.03198	0.2
175.04041	0.4
178.99873	6.5
179.03444	0.4
180.00230	0.4
183.04512	0.5
187.04008	0.6
190.02707	0.6
190.99895	0.6
192.00635	0.6
193.01347	0.5
193.05084	0.4
195.06677	0.4
197.02469	0.3
198.03296	0.4
199.04012	0.9
201.05617	0.4
203.03459	0.7
205.05017	0.5
211.04016	0.9
212.04626	0.3
215.03439	1.0
216.04230	0.5
225.02104	0.3
226.02725	2.0
227.03482	3.2
228.04118	0.5
229.05060	0.7
239.03369	0.4
243.02974	12.1
244.03476	1.0
245.04457	0.8
254.02202	2.6
255.02982	31.6
256.03366	2.7
257.04486	0.3
271.02463	63.1
272.02930	7.5
273.03979	1.2
283.02356	1.1
284.03180	0.4
285.04117	0.3
299.02017	2.3
300.02759	100.0
301.03430	32.1
302.03934	2.1
343.04645	0.9
349.59171	0.3
353.51254	0.3
397.08856	0.3
428.11273	0.2
499.01031	0.3
516.37042	0.3
591.12598	0.3
609.14734	15.2
610.15009	2.3
635.12665	0.5
755.18579	68.4
756.18890	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	754.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95594	0.4
59.01380	1.5
63.02411	0.5
63.89648	0.4
65.00332	0.5
69.46703	0.4
69.46908	0.5
69.47316	2.7
69.47623	0.4
72.99315	0.9
107.01401	1.6
108.02198	0.5
109.02959	1.2
109.75513	0.3
116.05054	1.6
121.02973	1.3
125.02443	0.4
128.05060	0.5
130.06664	0.5
137.29471	0.4
142.06636	31.2
143.07024	1.7
148.01663	0.6
151.00381	7.7
158.06139	3.5
163.00423	1.7
164.01109	0.4
169.01430	0.4
178.99873	3.4
184.74683	0.4
186.05623	12.4
187.05891	0.7
201.05641	0.3
204.06670	18.8
205.06989	1.2
211.04045	0.7
216.04279	0.5
220.57352	0.3
226.02818	0.7
227.03429	1.4
229.04984	0.6
243.03004	4.9
244.03525	0.6
245.04485	1.0
246.07709	12.6
247.07976	0.9
254.02228	1.4
255.02971	14.9
256.03357	0.9
271.02457	32.4
272.02863	2.7
273.03983	1.0
283.02487	1.1
299.02179	0.8
300.02762	68.1
301.03482	33.1
302.03879	1.6
313.91354	0.4
343.04660	0.5
353.69873	0.3
460.12970	0.4
463.08798	100.0
464.09103	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	754.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03444	0.2
58.00586	0.1
59.01381	4.4
60.01701	0.1
60.99323	0.1
61.98832	100.0
62.98540	0.2
67.01925	0.1
69.03454	0.1
71.01389	3.0
71.33781	0.1
71.71423	0.2
72.01720	0.2
72.99320	0.3
73.02945	0.8
75.00883	0.2
77.60944	0.1
80.96538	0.1
83.01392	0.8
85.02958	1.2
86.03279	0.1
87.00922	0.3
88.98839	0.5
89.02448	1.0
95.01404	0.6
97.02975	0.1
99.00909	0.3
101.02459	1.7
101.88205	0.1
111.00909	0.3
113.02457	1.6
113.03238	0.1
114.02845	0.1
116.92876	0.3
117.03493	0.1
119.03522	0.3
119.05062	0.3
124.01724	0.1
125.02483	0.4
127.00363	0.2
133.02985	0.2
134.03796	0.4
135.04541	0.1
137.02472	0.2
139.00450	0.3
143.03529	0.2
145.02985	0.2
147.04567	0.6
149.02507	0.1
150.03249	0.1
151.00394	0.2
160.01672	0.5
161.02441	0.7
161.04623	0.4
161.31319	0.1
165.05577	1.4
175.04045	0.6
179.03560	0.1
179.05611	0.1
189.05630	0.2
193.05112	0.2
205.05086	0.1
209.11925	0.3
210.12289	0.1
219.14052	0.2
229.03676	0.1
243.02908	0.1
255.03105	0.3
271.02557	0.4
275.93970	0.1
293.09561	0.1
300.02814	0.8
321.15591	0.2
329.14056	0.2
337.09497	0.3
341.14026	0.2
363.16818	0.3
420.56024	0.1
448.45081	0.1
487.33035	0.2
488.33359	0.3
489.34662	0.1
505.34012	0.2
506.34302	0.3
507.35727	0.2
537.37946	0.1
579.14185	0.2
589.19928	0.1
593.13403	0.2
616.22205	0.1
616.34613	0.1
617.35712	0.4
647.36481	0.2
649.38153	0.9
650.38464	2.8
651.39014	0.7
667.38910	0.6
668.39288	1.8
668.49390	0.1
669.40613	0.4
686.33270	0.1
709.41272	0.3
710.40759	1.2
711.41754	0.4
736.35767	0.3
737.22546	0.1
754.35480	0.4
755.19165	0.3
755.33423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73312	0.9
57.03435	2.7
59.01383	13.1
61.98840	7.6
69.03451	2.7
71.01041	1.3
71.01392	14.6
71.70900	2.4
72.99278	1.3
73.02960	2.4
75.00876	3.5
78.53118	1.0
81.03458	2.1
83.01395	2.4
83.05031	2.9
85.02962	6.6
87.00883	2.9
89.02451	5.2
95.01373	1.3
97.02935	2.4
97.06582	3.6
99.00883	3.7
101.02467	5.8
109.06601	2.8
111.08197	2.2
112.69850	1.3
113.02464	7.0
123.04543	2.2
125.02425	1.7
125.09738	5.6
135.08206	1.6
137.09721	1.9
137.16982	1.1
140.01273	1.0
150.35944	1.1
151.19910	1.0
163.11275	6.8
165.12898	12.4
171.10249	2.3
174.01678	1.8
181.12378	2.7
183.13918	100.0
184.14261	6.8
185.11852	6.0
191.10768	1.7
191.14398	4.0
197.11810	4.5
198.60049	1.0
207.10298	5.0
209.11848	28.3
210.12080	2.7
211.13377	8.3
223.13454	2.4
224.13643	1.0
225.11340	5.5
227.12914	12.7
235.08215	5.8
245.19040	6.7
251.12885	1.8
253.09283	9.3
263.20169	2.5
289.18094	18.4
290.18301	1.8
291.19666	3.0
293.21155	1.2
307.19144	17.4
308.19519	1.7
309.20657	4.6
310.20944	1.2
445.20947	6.5
446.21719	1.5
461.20337	2.8
463.21695	4.8
485.32242	1.5
517.35162	4.2
535.36462	1.8
543.28265	1.3
637.32056	2.9
638.32330	1.3
655.33368	5.5
656.34125	1.6
735.39471	3.0
753.40973	96.3
754.41400	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
57.03452	1.8
58.00591	0.9
59.01383	34.1
60.99312	0.8
61.98836	100.0
67.01906	0.3
68.99868	0.3
69.03461	0.7
69.77618	2.0
71.01392	25.0
72.99320	3.0
73.02955	5.3
75.00887	0.9
80.96554	0.3
81.03481	0.5
83.01391	3.7
85.02967	12.4
86.00117	0.6
86.09505	0.3
87.00889	2.2
87.04549	0.3
88.98824	4.6
89.02462	10.1
93.03493	0.5
95.01412	3.0
97.02997	1.0
99.00916	2.4
101.02463	13.5
102.02803	0.3
109.03031	0.3
109.06635	0.3
111.00895	1.5
112.01669	0.4
113.02470	11.9
116.92934	0.6
117.03513	0.4
119.03520	3.4
119.05013	2.7
121.02966	0.3
123.04554	0.4
124.01714	0.5
125.02493	2.3
129.01968	0.7
131.03584	0.6
132.02202	0.6
133.02991	0.6
134.03793	2.2
135.04596	0.6
137.02478	0.6
142.06633	0.7
143.03555	1.5
145.03120	0.4
147.04559	5.2
148.04965	0.3
149.04619	0.4
149.49422	0.3
153.02049	0.3
157.12346	0.5
159.03104	0.5
160.01711	3.0
161.02460	1.1
161.04604	2.4
161.05968	0.5
161.09630	0.3
163.04050	0.4
165.05611	11.8
166.05995	0.4
171.10388	0.3
175.04033	2.3
177.02042	0.5
179.03641	0.4
179.05673	1.6
186.05608	0.3
189.05623	1.4
193.05077	1.7
201.11346	0.3
203.05638	0.3
204.06725	0.6
205.05096	0.3
209.11905	1.7
221.06729	0.5
223.06342	0.3
231.90398	0.3
245.04448	0.3
327.12567	0.5
339.12512	0.3
343.28519	0.3
385.09677	0.4
406.90128	0.3
487.32697	3.3
487.38141	0.3
488.33640	0.3
505.33871	3.3
506.34305	0.4
557.80310	0.3
615.33826	0.4
637.32990	0.3
649.38153	36.5
650.38574	6.9
663.33221	0.6
667.39215	21.4
668.39520	5.1
685.31342	0.7
703.32336	0.6
709.40405	16.6
710.40759	3.7
717.32825	0.4
722.23291	0.5
735.35022	1.2
753.33228	3.2
754.34271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98831	100.0
62.98534	0.2
63.99278	0.1
71.01399	0.5
71.70809	0.1
72.99315	0.1
73.02956	0.2
83.05024	0.1
84.24567	0.1
85.02956	0.2
87.43932	0.1
88.88783	0.1
88.98838	0.2
89.02456	0.2
101.02446	0.3
109.06633	0.1
113.02487	0.1
116.92906	0.1
129.05608	0.1
163.11269	0.2
165.32404	0.1
171.10312	0.2
182.46642	0.1
207.10286	0.3
209.11899	0.3
210.12175	0.1
211.13426	0.4
212.13853	0.1
225.11322	0.4
253.09312	0.1
269.25662	0.1
289.18234	0.2
309.20639	0.1
611.38525	0.1
671.40076	0.2
689.41351	0.1
751.47437	0.2
752.49194	0.5
752.59143	0.1
777.70288	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	752.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51540	0.1
57.03459	0.1
59.01391	0.7
61.98833	100.0
62.98537	0.2
62.99283	0.2
71.01404	0.5
71.70968	0.2
72.99338	0.1
73.02933	0.2
78.95930	0.1
80.96517	0.1
82.84967	0.1
83.05032	0.2
85.02966	0.2
89.02454	0.2
95.01381	0.1
97.02972	0.1
101.02485	0.1
109.06631	0.1
113.02514	0.2
116.92911	0.2
118.98678	0.1
121.41588	0.1
121.59241	0.1
135.08176	0.2
161.04646	0.1
163.11397	0.2
171.10280	0.5
179.56659	0.1
197.12012	0.2
207.10303	0.3
209.11826	2.0
211.13429	0.7
212.13799	0.2
220.44676	0.1
225.11342	0.7
227.12947	0.5
235.08194	0.2
253.09386	0.4
271.17014	0.1
289.18201	0.5
291.19656	0.1
307.19229	0.3
309.20905	0.3
365.57590	0.1
396.12134	0.1
510.31409	0.1
533.79315	0.1
603.92712	0.1
612.23151	0.1
752.47974	0.1
753.41425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03458	3.1
58.00606	1.3
59.01379	20.0
59.01665	1.0
60.99320	0.8
61.10456	0.6
61.98833	69.6
67.01904	0.8
68.99863	0.7
69.03470	0.8
71.01389	23.1
72.01762	0.7
72.99306	5.8
73.02962	3.1
75.00877	17.3
78.95942	0.8
80.02697	1.6
80.96564	1.5
81.03487	2.4
83.01426	2.2
83.05029	8.1
83.05452	0.6
84.02208	2.1
85.02959	21.9
86.03319	1.1
87.00890	7.4
88.98833	3.6
89.02441	4.7
90.84914	0.6
95.01402	4.8
95.05064	1.3
97.02998	1.1
97.06636	0.7
99.00896	12.3
101.02454	6.0
103.00408	2.1
109.02913	0.6
109.06599	0.7
111.00908	1.1
113.02467	20.1
113.78165	0.6
115.00400	2.5
116.92871	1.3
117.01953	1.3
125.02452	0.8
125.06063	1.1
125.09801	0.6
129.01965	1.6
131.03537	1.7
135.08160	1.6
157.01443	0.9
159.02924	0.6
161.02469	1.5
161.04617	0.8
163.11292	6.9
165.12848	3.6
175.02496	2.6
181.12347	1.3
191.10765	2.4
205.07108	1.1
209.11844	100.0
210.12219	7.4
227.12897	7.6
229.14400	1.2
229.59198	0.8
249.06177	2.9
402.51224	0.7
459.18484	0.7
477.19910	1.3
487.34009	1.1
503.32034	0.7
509.22189	0.9
545.33234	5.0
546.33203	0.7
604.38971	1.0
605.39600	1.7
621.42792	0.7
648.76581	0.7
652.06213	0.6
687.32544	26.7
688.33014	5.3
714.76752	0.7
719.35138	55.2
720.23700	0.8
720.35358	11.1
723.57874	0.6
750.45276	1.0
751.37366	60.3
752.24963	0.8
752.37933	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	749.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42351	0.5
55.01880	0.7
56.27380	0.5
57.03455	2.8
58.00595	0.9
58.98194	0.6
59.01087	1.0
59.01380	17.3
61.98834	3.7
67.01892	0.6
68.99820	1.6
69.03465	0.9
70.87332	1.0
71.01385	25.4
72.01720	1.0
72.99316	8.1
73.02946	1.8
75.00879	26.2
78.95927	0.6
81.03452	1.0
83.01391	1.6
85.02960	24.9
86.03300	0.8
87.00881	8.5
89.02446	3.3
95.01404	6.5
95.05052	0.8
96.50137	0.5
97.02950	1.1
99.00893	16.5
99.04566	0.6
100.01220	0.6
101.02464	1.1
103.00389	3.4
109.06606	2.9
111.00890	1.6
113.02463	28.9
115.00389	3.3
117.01962	4.1
125.09724	1.6
127.04018	0.6
127.11266	1.4
127.70982	0.5
129.01924	2.9
131.03517	0.6
137.09694	1.4
139.00398	0.9
153.09227	1.1
155.10825	0.7
157.01476	3.7
161.09775	0.6
163.11293	2.3
171.08798	1.1
171.10287	24.0
172.10565	1.1
175.02486	5.2
179.10814	0.8
181.08798	0.9
181.12378	0.8
185.11829	0.5
187.06119	0.7
193.03575	1.5
199.09779	5.6
199.13478	0.7
201.11287	3.9
205.07166	1.2
207.10281	5.2
209.11714	0.6
215.12920	1.6
225.11357	5.9
231.04979	1.2
249.06140	4.5
255.23286	100.0
256.23621	9.9
258.34915	0.6
267.07236	0.8
277.21371	0.6
457.16812	0.8
475.18143	0.7
487.29163	2.7
505.30017	6.8
506.30753	1.2
628.32928	0.6
641.39429	0.6
647.20636	0.5
659.40179	33.8
660.40723	7.7
669.38794	0.8
671.40692	1.0
687.39807	27.4
688.40155	6.6
689.41364	2.1
695.39954	0.8
713.41364	44.6
714.41711	10.9
731.42371	37.3
732.42694	8.7
749.43506	9.0
750.43860	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	749.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94296	0.5
55.01879	0.9
57.03460	2.6
58.00606	1.0
59.01382	14.5
61.98835	6.9
62.70820	0.5
67.01883	0.9
68.99810	1.4
69.03461	1.4
70.45904	2.0
71.01392	23.8
72.99318	6.5
73.02954	2.0
75.00881	25.7
80.91702	2.6
83.01391	1.1
83.05042	0.5
85.02963	21.5
87.00890	9.3
89.02467	3.1
95.01405	5.8
95.05042	0.7
96.45741	0.5
97.02985	0.8
98.20681	0.6
99.00894	16.4
99.04559	0.9
101.02427	0.7
103.00394	2.9
109.06610	2.0
111.00864	1.1
111.04481	0.5
113.02470	28.0
113.17960	0.5
115.00378	3.1
117.01965	2.9
125.09739	1.7
127.11314	1.3
129.01952	3.1
137.09760	1.0
139.00432	0.9
141.01964	0.7
141.21754	0.5
157.01439	3.1
161.74982	0.6
163.11311	1.9
171.10298	19.2
172.10562	1.1
175.02524	4.7
179.10844	0.8
181.08772	0.8
181.12457	0.7
187.06107	0.7
189.09325	0.7
193.03522	1.3
197.11867	0.9
199.09796	5.2
201.11331	4.6
205.07231	1.0
207.10272	5.5
215.12892	1.2
220.89769	0.6
225.11349	6.3
231.05016	0.9
249.06219	4.1
255.23299	100.0
256.23645	9.6
305.43015	0.5
457.17053	0.8
475.18442	0.9
487.29059	2.5
505.30115	7.1
506.30667	1.0
653.39929	0.9
659.40240	30.6
660.40521	6.9
669.38794	0.6
671.39594	1.3
687.39758	27.8
688.40186	6.9
689.41638	1.6
713.41382	47.3
714.41748	11.7
731.42401	31.1
731.55817	0.7
732.42853	7.7
749.43542	7.0
750.44012	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	748.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48537	0.4
57.03450	0.7
58.00599	1.2
59.01382	17.8
59.29114	0.4
60.01726	1.0
61.98834	56.2
65.00320	0.5
68.26178	0.4
71.01394	15.6
72.01719	1.0
72.99313	2.0
73.02955	1.0
75.00890	1.0
83.01401	0.8
85.02966	4.6
87.00903	1.6
89.02456	13.0
90.02769	1.2
93.03490	1.5
95.01397	1.0
99.00900	0.7
99.04546	0.6
101.02460	7.8
102.02797	0.9
105.03463	0.5
109.02972	1.5
111.00906	0.7
113.02484	5.8
114.02782	0.6
117.03477	1.8
119.03540	6.3
119.05095	2.1
121.02972	4.1
122.03771	3.9
123.04550	0.9
124.01581	0.6
125.02502	1.1
131.03499	0.7
132.02208	1.9
133.02977	31.3
134.03693	2.5
135.04556	24.1
135.05624	0.8
136.01685	0.7
137.02489	2.0
142.06610	2.7
143.03529	1.8
145.02959	1.5
146.03668	0.8
147.04547	1.5
149.02478	2.5
149.04558	0.5
149.06107	1.5
150.03268	6.9
151.00352	0.8
151.03761	1.4
156.53137	0.4
158.06067	0.5
159.04515	0.7
160.01682	1.4
161.02472	100.0
162.02798	5.6
163.04057	0.8
164.04823	1.3
165.05592	11.2
166.05981	1.4
175.04086	2.3
176.04597	0.4
177.01974	0.6
177.05608	4.0
179.03519	16.6
179.05598	1.9
179.07176	2.4
180.03958	1.0
180.05882	0.6
186.05629	1.1
187.11195	0.5
189.05544	0.5
193.05040	0.5
195.06638	3.7
196.06999	1.7
203.03560	1.6
204.06651	2.0
205.07106	0.5
205.12437	0.6
217.01529	1.0
221.04543	3.9
233.04515	0.5
246.07745	1.0
251.05553	0.7
263.05426	0.8
267.07153	1.6
271.02454	1.1
280.05939	1.0
299.09125	0.5
300.02768	1.9
301.03537	0.5
315.12469	0.7
323.07703	9.5
324.08118	0.6
325.10733	0.5
327.12366	0.5
337.06964	2.2
341.10220	1.3
342.10715	1.6
346.14209	1.4
347.15027	4.3
348.15173	0.6
357.12805	0.7
361.16614	8.8
361.20782	0.8
362.16669	0.9
371.10742	0.5
371.14740	2.7
372.15472	2.9
421.04974	0.5
457.11429	2.1
484.76144	0.5
520.20654	1.9
524.20569	0.6
587.21954	0.7
685.25262	82.8
686.25653	18.9
748.28638	1.5
749.29224	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	747.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03435	2.3
58.00600	0.7
59.01382	15.7
67.01871	0.6
68.99819	0.9
69.03457	0.7
71.01391	19.3
71.12553	1.3
72.01711	0.5
72.99312	6.5
73.02940	1.1
75.00883	23.6
80.02692	1.2
81.03477	1.3
83.01383	2.2
84.02174	1.5
85.02963	26.5
87.00890	7.5
89.02465	3.9
95.01401	7.2
95.05049	0.6
99.00903	13.8
103.00368	2.4
111.00915	1.2
112.01701	0.5
113.02468	23.7
114.02809	0.6
115.00378	1.7
117.01983	3.3
125.06106	0.9
127.03989	0.6
129.01967	1.6
131.02585	0.5
131.03473	0.8
135.08226	0.5
157.01477	0.9
163.11287	3.2
165.12843	1.7
175.02513	3.0
191.10793	0.6
205.07018	0.6
209.11847	42.3
210.12160	2.9
227.12910	1.9
231.05122	0.8
249.06163	3.0
250.20706	0.4
255.23294	100.0
256.23624	8.1
319.12656	0.4
427.19815	0.4
477.19870	0.5
487.29321	0.6
505.30362	2.9
506.30222	0.7
518.23846	0.5
697.42194	1.1
715.42932	92.7
716.43280	22.7
747.45551	81.8
748.46027	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
61.98832	58.9
71.01385	5.8
71.06874	0.4
71.71929	0.9
72.99297	0.9
73.02953	1.4
74.48726	0.5
75.00879	0.6
81.01175	0.5
83.01404	1.1
84.88230	0.4
85.02962	2.2
89.02462	2.1
93.03474	4.2
95.01428	0.6
96.96000	0.8
99.00902	0.6
101.02472	3.2
108.02185	1.4
109.02967	4.0
111.00903	0.6
113.02457	2.9
116.05092	0.7
117.03500	1.4
119.03546	1.2
119.04992	2.3
119.95638	0.5
121.02975	12.6
122.03767	13.8
123.04631	2.8
124.01669	0.8
125.02482	1.0
132.02197	1.7
133.02974	6.0
134.03758	3.4
134.69398	0.5
135.04567	6.3
136.01675	1.9
136.05327	0.9
137.02478	2.2
138.03287	0.5
139.00378	0.6
139.04018	0.8
142.06647	28.2
145.02974	5.9
147.04549	3.3
148.01692	0.7
148.70253	0.5
149.02463	34.3
149.06096	5.1
150.03249	94.6
151.00327	0.5
151.03650	4.5
152.01183	0.6
153.01956	0.6
153.05606	2.3
154.02757	0.7
154.55821	0.5
157.06015	0.6
158.06175	2.8
160.01680	0.8
161.02437	4.4
161.04623	1.0
161.06136	1.6
162.03201	2.2
163.04018	7.8
164.04814	8.2
165.01906	1.7
165.05589	100.0
166.02727	1.5
166.05933	5.3
167.03526	0.5
173.06097	0.7
174.03241	2.0
175.04007	9.8
176.04781	2.2
177.05579	3.0
179.03531	2.5
179.07155	2.4
180.04308	13.7
181.05040	3.2
186.05618	12.8
188.04749	2.7
189.05547	4.0
190.06367	11.0
191.07137	9.0
192.04282	0.7
192.07616	0.7
193.05093	6.5
194.05855	7.2
195.06639	53.6
196.06943	3.1
203.07237	1.4
204.06670	23.5
205.05037	0.8
205.08699	12.7
207.06636	5.2
208.07417	9.0
209.08127	0.6
215.03235	0.5
221.04340	0.6
222.09010	1.3
223.09703	1.4
246.07707	15.6
297.07816	0.6
297.11279	0.8
298.11807	0.8
314.11255	0.6
326.11453	0.8
327.04767	0.7
327.12326	1.2
328.09283	0.7
329.10306	0.7
332.95831	0.5
341.14151	0.5
344.12686	3.1
345.13394	4.3
353.13901	0.6
356.12698	1.1
357.13367	4.3
358.14136	1.9
359.15009	54.1
360.15414	7.0
361.16498	1.2
371.14987	0.8
374.13666	1.0
375.14301	0.8
387.14661	1.0
388.15314	1.3
389.16125	6.0
461.16220	0.6
479.17325	0.7
507.20343	5.1
508.20529	1.3
522.18970	1.2
523.18933	0.8
537.21271	64.2
538.21539	12.4
555.22668	1.4
556.23334	0.5
567.22772	2.0
582.23920	0.5
585.23468	75.7
586.23779	16.6
711.28137	0.6
747.27216	2.5
748.26917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07035	0.2
58.50420	0.2
61.98833	100.0
62.98524	0.2
67.48753	0.2
71.71018	0.3
71.94046	0.2
78.95902	0.2
108.39499	0.2
116.92896	0.6
119.24052	0.2
121.80968	0.2
131.77220	0.2
152.99628	0.2
171.10284	0.5
215.45305	0.2
235.84325	0.2
281.24786	0.4
294.21527	0.2
345.29572	0.2
365.45215	0.2
509.29105	0.2
628.21387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24821	0.4
55.01871	1.0
57.03445	2.3
58.00596	4.8
59.01379	100.0
60.01721	1.7
61.98830	35.2
62.04861	0.4
63.04533	0.4
65.00342	0.4
69.03458	0.5
69.86473	3.0
71.01385	75.4
72.01725	1.1
72.16243	0.4
72.99316	7.3
73.02938	2.0
75.00877	0.6
80.96489	0.6
83.01392	3.0
85.02963	13.4
87.00882	4.7
88.98820	0.7
89.02451	88.1
89.98077	0.4
90.02793	1.9
93.03469	2.2
95.01399	5.6
97.02960	1.0
99.00887	1.0
101.02455	49.1
102.02780	1.1
109.02981	0.6
111.00922	0.8
113.02467	30.1
114.02782	1.1
119.03516	39.9
119.04984	1.5
120.03844	0.9
121.02979	3.8
122.03759	7.9
123.04476	1.3
125.02451	2.0
127.21894	0.5
131.03526	4.9
132.02185	1.2
133.02983	8.3
134.03720	1.8
135.04541	5.9
136.01643	0.9
137.02472	1.1
142.06683	2.1
143.03517	8.2
144.03838	0.6
145.03001	1.1
147.04524	1.1
148.01608	0.6
149.01251	0.8
149.02469	14.6
149.04459	3.8
149.05748	0.5
150.03247	40.9
151.03635	2.2
153.05620	0.5
160.01691	2.5
161.02470	23.1
161.04530	7.0
162.03200	0.5
163.04141	0.6
164.04811	2.8
165.05583	38.3
166.05922	2.8
167.03519	1.1
175.03973	2.0
177.05525	1.2
179.03476	3.8
179.05585	16.6
179.07121	0.9
180.04240	2.3
180.05855	1.0
180.07819	0.8
181.04909	0.5
185.64497	0.4
186.05588	1.2
191.03239	0.6
193.05011	1.1
195.06635	26.8
196.06926	2.2
204.06616	1.3
211.54733	0.5
221.04465	1.1
223.09709	0.6
246.07616	0.9
257.11676	1.0
270.08859	2.0
282.08667	0.7
285.11362	2.1
297.07437	0.5
297.11014	0.4
298.08374	1.5
310.08331	1.1
311.09180	1.2
312.09766	0.5
313.10623	1.9
323.07776	1.6
324.09979	0.9
325.10553	1.6
326.07837	2.2
326.11423	1.2
327.08319	0.6
339.12131	0.7
340.12833	0.6
341.10312	14.3
342.10489	1.8
346.14194	0.6
355.11490	0.7
356.12607	6.1
357.12970	0.9
361.16251	1.7
370.13611	0.6
371.14990	26.0
372.15384	3.4
470.24869	0.5
492.51797	0.5
504.17706	0.5
507.12592	1.0
519.20245	11.3
520.20551	2.3
537.13477	0.6
537.21002	0.7
567.22412	1.0
585.22949	0.9
611.54254	0.5
685.25226	16.8
699.24976	0.7
711.27795	1.0
747.17963	0.9
747.27509	5.7
748.28790	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	746.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25123	0.3
58.00589	0.3
59.01379	6.4
61.98836	100.0
62.98529	0.3
63.99266	0.7
70.33269	0.3
71.01390	5.7
71.02611	0.4
71.02953	0.7
72.99316	0.7
73.02967	0.8
75.00857	0.3
77.03979	0.4
83.01406	0.8
85.02967	1.8
87.00890	0.8
88.98843	0.7
89.02456	3.8
93.03493	1.0
95.01386	0.8
95.05024	0.4
99.00905	0.6
101.02451	2.5
107.05038	0.5
108.02222	0.5
109.03003	0.9
111.00883	0.6
113.02451	2.7
117.03487	1.4
119.03548	1.7
119.05058	0.9
120.01268	2.9
121.02956	2.2
122.03768	2.2
123.00916	0.5
123.04551	1.2
124.01680	0.4
125.02479	1.4
126.02841	0.4
132.02214	1.1
133.02982	21.2
134.03833	2.2
135.04552	16.1
135.05624	0.4
136.01706	2.2
136.04915	1.1
137.02463	1.7
139.04080	0.4
142.06662	2.4
143.03552	0.4
145.03012	1.3
147.04543	1.0
149.02467	3.6
149.04408	0.3
149.06131	1.3
150.03258	10.6
151.00407	0.8
151.03970	2.0
152.00911	0.4
153.01929	0.5
153.05551	0.4
159.04549	1.4
160.01711	0.9
160.05318	3.4
161.02472	70.9
161.05974	1.7
162.02802	3.7
163.04028	1.7
164.04800	1.3
165.02003	0.4
165.05597	11.4
166.02722	1.2
166.05887	1.6
167.03532	0.5
173.06107	1.1
175.00227	0.3
175.04015	2.0
175.07623	2.3
176.04590	0.6
177.02058	0.8
177.05609	3.8
178.02808	0.6
178.06313	0.6
179.03532	12.9
179.05521	0.8
179.34294	0.3
180.04082	1.2
181.05072	1.2
182.05507	0.4
186.05652	0.9
189.05586	0.5
189.09166	0.5
190.02802	0.4
190.06314	0.5
191.07089	0.5
193.05046	1.7
193.08740	0.4
195.06653	6.0
196.06976	1.3
203.03506	1.1
204.06693	1.5
205.05112	1.3
207.06659	0.4
209.08212	0.7
219.06737	0.4
220.03732	0.4
221.04561	3.0
230.73499	0.3
246.07651	0.7
256.03461	0.4
263.05630	0.7
265.07196	0.4
272.02872	0.4
280.05722	0.5
300.02798	0.6
301.03143	0.9
302.03519	0.5
303.03754	0.6
315.12448	1.8
323.07742	8.3
324.07959	0.8
329.13931	4.6
341.10229	0.4
346.03409	0.3
355.11649	0.4
357.13358	0.6
358.14050	0.4
367.10477	0.6
369.13470	0.4
371.15033	0.8
387.14417	1.4
388.14783	1.6
535.19879	1.2
536.20062	3.3
551.21234	0.5
582.14838	0.6
584.22229	2.8
585.22821	0.8
653.22522	19.5
654.22919	5.0
665.22430	1.7
683.23694	44.5
684.23962	11.3
699.26794	0.7
711.29468	0.6
746.28796	1.3
747.28522	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	745.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94862	0.6
55.01871	1.0
55.43862	0.5
57.03452	1.4
58.00591	6.3
59.01379	100.0
61.98831	46.3
61.99084	0.4
69.03447	0.7
71.01385	82.0
71.72176	0.8
72.01692	1.2
72.99308	7.7
73.02946	2.4
75.00872	1.4
78.95892	0.6
83.01403	4.0
85.02957	14.5
87.00893	5.5
87.03535	0.6
88.98817	1.0
89.02451	90.4
90.02781	1.4
93.03472	3.3
95.01391	7.8
97.02940	0.8
99.00882	1.6
101.02454	45.4
102.02781	0.9
107.01383	1.0
108.02239	0.7
109.02933	1.0
111.00875	1.0
113.02461	30.6
114.02772	1.2
115.00372	0.9
117.03410	0.8
119.03516	37.4
119.04989	2.3
120.03828	1.2
121.02954	4.2
122.03780	5.9
123.00897	1.0
123.04517	1.6
124.01682	0.9
125.02454	5.5
129.01979	0.6
131.03528	5.1
132.02170	1.4
133.02971	3.1
134.03804	3.8
135.04497	2.6
136.01611	0.7
137.02425	0.8
139.00359	0.9
139.04010	0.8
142.06555	2.0
143.03522	8.2
145.02914	1.0
145.08707	0.8
147.04485	1.3
149.02466	13.0
149.04529	3.1
149.05922	1.1
150.03247	37.0
150.53294	0.6
151.00388	5.6
151.03770	2.2
152.01089	0.9
153.01825	0.8
153.05519	1.1
160.01677	6.3
161.02472	8.7
161.04543	7.0
162.03049	0.6
163.03935	1.2
164.04808	3.0
165.01926	1.0
165.05583	33.5
166.02672	1.7
166.05949	1.7
167.03461	2.7
169.01311	2.2
175.02585	0.9
175.03937	4.8
176.04646	0.9
177.01817	0.7
177.05441	1.8
179.03450	2.5
179.05559	15.5
179.07120	1.6
180.04192	2.4
180.05659	0.7
181.04942	1.7
186.05591	0.9
189.01981	0.6
190.02560	0.8
192.03979	0.7
193.05093	3.1
194.05682	0.7
195.06642	23.0
196.06963	1.1
201.05403	0.6
203.03459	1.0
204.06540	1.8
205.05023	1.2
207.06543	0.7
209.08173	0.9
211.64801	0.7
218.59096	0.7
221.04448	0.7
223.06039	0.9
240.07729	0.6
243.06567	0.8
243.97581	0.6
246.07483	0.6
249.05753	0.9
267.07040	0.7
268.07208	2.4
271.02533	0.6
273.07562	1.2
280.07288	1.6
283.09497	2.2
296.06757	2.0
308.06693	2.6
309.07486	2.1
311.09280	3.0
312.09232	0.8
312.19922	0.6
322.08249	1.3
323.09338	3.6
323.12814	1.1
324.06128	1.9
324.09625	1.6
324.13150	0.6
329.13446	0.7
335.09821	0.6
338.11490	1.5
339.08768	15.1
339.12442	0.9
340.08853	2.1
342.10995	0.9
343.11771	0.6
353.10132	1.0
354.11124	6.5
355.11136	1.8
357.13077	2.0
369.13437	31.2
370.13907	3.7
385.13031	0.8
457.12079	0.8
461.14728	1.0
492.13309	0.6
502.16440	0.9
517.18610	10.3
518.18695	1.3
535.19580	4.9
536.19446	0.9
565.20331	1.1
569.20367	1.2
581.17261	0.7
583.21436	2.7
625.17383	0.8
685.39923	0.9
709.28577	2.2
745.26642	15.0
746.27826	4.0
750.53503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53531	0.6
57.03452	0.5
59.01383	11.7
59.01662	0.7
61.98835	21.5
69.03515	0.7
71.01385	7.8
71.70737	0.9
72.99344	1.1
73.02971	1.0
73.72503	0.5
81.03490	0.6
83.01423	1.2
85.02990	2.6
87.00899	0.7
88.98832	0.8
89.02460	7.1
93.03450	4.3
95.01418	1.2
101.02457	5.2
108.02199	1.2
109.02993	1.9
110.40800	0.5
111.00903	0.7
113.02461	4.3
117.03464	0.7
119.03548	3.2
119.05063	2.1
121.02971	11.2
121.46672	0.5
122.03767	16.2
123.00961	1.2
123.04555	1.9
124.01753	1.6
125.02483	1.2
132.02206	1.7
133.02968	7.3
134.03789	1.7
135.04547	12.0
136.01688	18.1
137.02513	3.8
138.03275	0.6
139.04037	0.8
143.03583	1.1
145.03003	0.7
147.04523	2.6
148.01685	0.5
149.02469	29.4
149.06114	1.7
150.03250	96.0
151.00409	5.2
151.04045	27.6
152.01193	2.0
152.04428	1.1
153.01936	1.2
153.05544	0.6
159.04584	1.1
160.01656	1.6
160.02884	0.6
160.05325	1.3
161.02470	15.2
161.04572	1.0
161.06100	2.1
162.03120	1.3
163.04053	3.0
163.93066	0.5
164.04819	7.2
165.05592	100.0
166.02733	15.0
166.05928	4.5
167.03516	3.6
169.12404	0.6
171.88812	0.6
172.05360	1.6
173.02625	0.7
173.06064	0.9
174.03291	1.1
175.00313	0.6
175.04001	6.3
175.07617	1.6
176.04660	1.1
177.02000	0.9
177.05573	2.6
178.02675	0.8
179.03517	3.7
179.05693	1.2
180.04318	6.4
181.05096	18.3
182.05502	0.7
187.04034	0.8
189.05611	3.1
190.02695	0.8
190.06375	7.4
191.03468	2.0
193.05051	1.2
195.06653	62.0
196.06979	3.8
203.03557	1.2
204.03888	0.7
205.05072	1.7
205.08730	1.4
206.05710	0.8
207.06622	1.0
209.11877	0.9
221.04573	1.2
221.08157	1.2
225.87396	0.6
282.05243	1.3
286.08463	1.0
297.07706	1.4
309.07578	1.0
314.07831	0.8
315.08652	1.7
323.07611	1.4
324.10016	0.8
325.07196	0.8
326.11548	1.0
327.08582	1.3
329.10391	3.8
339.08380	2.6
341.10077	0.6
341.13690	0.9
342.10904	2.2
354.10999	0.7
356.12689	2.9
357.09555	3.5
357.13370	7.9
358.09814	0.7
358.13745	0.9
367.10510	0.7
369.13519	4.1
371.10284	0.9
372.12201	4.7
373.12695	1.9
385.12332	0.8
386.13995	2.7
387.14514	45.4
388.14767	5.2
458.11734	0.7
460.12143	0.9
461.12601	1.0
473.72137	0.6
490.15656	0.9
505.18402	2.6
506.19208	0.7
517.17755	0.7
535.19708	59.8
536.20044	11.2
553.20258	1.7
565.20471	2.8
566.21216	0.7
583.21906	45.7
584.13519	0.9
584.22131	10.5
683.23547	13.2
745.26086	2.9
746.27454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98832	100.0
62.98527	0.2
69.52483	1.3
71.01376	0.2
75.72667	0.1
78.95945	0.2
92.52467	0.1
117.03396	0.2
141.45534	0.1
152.93474	0.1
171.10214	0.2
211.13394	0.3
262.30798	0.1
268.10684	0.1
277.21844	0.2
281.17264	0.1
283.36356	0.1
397.13840	0.2
398.13971	0.2
399.14124	0.3
617.38940	0.2
618.39294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44144	0.3
54.06910	0.3
55.01889	0.3
56.23513	0.3
58.00591	0.9
59.01381	17.7
61.98834	18.8
71.01388	16.7
71.01798	0.3
71.72010	0.4
72.99317	1.9
73.02965	0.9
75.00869	0.4
77.11698	0.3
83.01408	0.9
85.02959	3.6
87.00895	1.3
88.98814	0.5
89.02456	16.0
90.02786	0.4
92.26094	0.4
93.03458	3.2
95.01417	1.2
95.05042	0.4
96.76121	0.3
96.96009	0.4
97.02939	0.3
99.00860	0.4
99.04570	0.5
101.02457	8.3
105.03418	0.4
107.05046	0.6
108.02194	0.7
109.02989	0.7
111.00890	0.7
113.02459	5.3
117.03513	0.4
119.03526	5.4
119.04967	0.7
121.02980	5.3
122.03769	11.7
123.00916	0.9
123.04521	1.0
124.01680	0.7
125.02461	1.1
131.03534	0.9
132.02148	0.6
133.02969	3.0
134.03822	1.6
135.04556	2.4
136.01680	10.5
137.02553	2.0
137.06113	0.4
143.03522	1.2
145.03044	0.5
146.03685	0.3
147.04547	1.0
149.02466	18.5
149.04390	0.6
149.05991	0.6
150.03247	90.0
151.00400	2.6
151.04051	11.7
152.04430	0.7
153.01915	0.6
154.02742	0.4
159.04538	0.5
160.01678	1.0
160.05276	0.4
161.02477	4.7
161.04541	1.9
162.03181	1.1
163.04030	1.1
164.04817	4.3
165.05586	100.0
166.02739	8.8
166.05910	5.0
167.03441	1.1
173.05988	0.4
175.04002	2.2
175.07625	0.5
177.01891	0.8
177.05551	1.1
179.03506	1.3
179.05644	4.2
179.07133	0.7
180.04300	6.7
181.05086	10.9
182.05423	0.5
187.04053	0.4
187.07646	0.5
187.87494	0.4
189.05577	0.9
190.02908	0.5
190.06340	1.1
191.03517	1.3
193.05046	1.2
195.06641	95.9
196.06963	5.5
201.11304	0.9
203.03609	0.3
205.04967	1.0
207.06606	0.5
209.11758	1.0
221.08273	0.9
233.04640	0.4
235.06154	0.4
282.32126	0.3
294.05518	0.4
297.07574	0.8
309.07553	0.4
313.16779	0.3
321.15616	1.1
323.09167	0.3
324.09811	0.4
327.08795	0.6
327.12360	0.3
329.10181	0.6
339.08527	1.2
340.08942	0.7
341.09604	0.3
342.11090	0.9
356.12695	0.4
357.09607	2.4
357.13452	7.0
358.13831	0.9
369.13577	2.1
371.10944	0.5
372.12097	2.0
373.12701	0.7
387.14499	26.4
388.14899	2.7
445.21188	0.4
459.13721	0.4
505.18381	0.5
535.19714	6.0
536.19824	0.9
553.20996	1.6
565.20734	0.9
583.21875	22.6
584.22174	4.7
647.27161	0.5
683.23578	2.2
745.23877	1.5
745.35486	0.4
746.30139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17632	0.2
57.03451	0.4
58.00597	0.4
58.55598	0.2
59.01384	4.9
61.98835	14.5
62.44964	0.2
71.01387	5.0
71.72135	0.4
72.99318	0.5
73.02952	0.5
77.03986	0.4
83.01398	0.7
85.02961	1.4
85.28967	0.2
87.00901	0.5
88.98824	0.7
89.02464	2.2
89.04001	0.4
89.94349	0.2
93.03491	0.8
95.01384	0.6
97.02984	0.3
101.02461	2.6
102.89474	0.2
104.02755	0.3
105.03473	0.9
107.05045	0.6
108.02175	0.4
109.02959	0.8
109.19382	0.2
111.00919	0.5
111.34496	0.2
113.02501	1.5
115.00379	0.3
115.01939	0.3
117.03496	2.2
119.02753	0.2
119.03557	0.9
119.05038	1.2
121.03000	0.5
122.03723	0.3
123.04571	1.0
124.01631	0.4
125.02480	1.1
132.02196	4.2
133.02982	48.0
134.03853	3.6
135.04550	22.3
136.01625	0.3
136.04854	1.3
137.02454	1.5
138.03287	0.7
139.04053	0.4
142.06619	0.3
145.02968	0.6
147.04597	0.6
148.05301	0.7
149.02460	1.1
149.06099	3.0
149.99632	0.4
150.03242	1.0
151.00366	0.4
151.03984	0.8
152.01169	0.4
152.04649	0.3
153.01920	0.3
153.05623	0.4
159.04617	0.4
160.01672	4.5
161.02470	100.0
162.02800	5.4
163.04021	0.9
164.04796	0.4
165.05582	0.9
167.03537	1.1
168.00684	0.3
175.02512	0.6
175.04033	9.9
176.04588	1.0
177.05592	5.8
178.02724	0.5
178.05911	0.3
179.03528	17.8
180.03871	1.5
181.05074	0.5
187.04008	0.7
188.04811	0.7
189.05594	0.9
190.02808	0.3
190.06383	0.5
191.03543	1.5
191.07117	1.2
192.04280	0.3
193.05080	2.7
194.05794	0.6
195.06610	0.6
201.05467	0.4
203.03537	1.0
203.07219	0.5
204.04132	0.4
205.05092	1.1
207.06711	0.5
209.08221	0.5
217.01366	0.3
219.06642	0.2
220.07367	0.4
221.04564	7.9
221.08228	0.6
222.04955	0.6
223.06073	0.3
233.04628	1.2
235.06061	1.9
251.05611	7.4
252.05913	0.7
263.05627	0.7
265.07095	1.0
275.05948	0.3
281.06668	12.6
282.07071	0.8
295.08340	1.3
311.07782	0.3
323.07635	0.6
337.09256	1.0
339.08636	1.8
341.08743	9.0
342.09198	0.8
353.10635	0.3
355.10394	0.3
357.09781	0.3
357.13611	0.5
369.09793	1.5
370.10278	0.3
371.15421	0.3
375.14264	0.3
381.09866	0.6
387.14465	0.7
401.16284	0.4
401.97159	0.2
411.10959	0.4
427.32367	0.2
457.11612	0.5
459.13065	1.3
460.13147	0.4
489.14453	0.5
533.16498	0.7
549.19775	0.5
567.20874	2.3
568.20532	0.4
579.17206	0.3
581.56940	0.2
590.27423	0.3
609.95184	0.2
620.28540	0.3
665.26605	0.2
707.94434	0.3
743.25641	46.1
744.26013	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	743.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
58.00596	0.3
59.01377	5.8
60.46026	0.2
61.98832	14.5
67.01907	0.3
70.86551	0.4
70.86876	0.3
71.01386	4.3
72.47141	0.2
72.99301	0.5
73.02962	0.7
76.18561	0.2
78.53296	0.2
83.01398	0.4
85.02964	1.6
87.00880	0.8
88.98826	0.7
89.02454	2.3
89.03981	0.8
91.05534	0.3
93.03473	0.7
95.01401	0.5
99.00926	0.4
101.02463	2.2
104.02746	0.3
105.03456	0.7
107.05032	0.5
109.02966	0.9
111.00913	0.5
113.02489	1.3
115.01937	0.4
117.03481	1.8
119.03520	0.9
119.05035	0.9
121.03010	0.5
122.03789	0.3
123.00890	0.3
123.04552	1.1
124.01707	0.4
125.02460	1.2
132.02197	4.4
133.02974	48.7
134.03848	3.8
135.04543	22.2
136.04897	0.9
137.02480	2.1
138.03227	0.6
139.04018	0.4
142.06610	0.3
143.03555	0.3
145.02968	0.4
146.31062	0.2
147.04538	0.6
148.05237	0.5
149.02490	1.3
149.06102	3.0
150.03227	1.0
151.04002	0.8
152.01183	0.6
153.02011	0.3
159.04512	0.3
160.01683	4.5
161.02461	100.0
162.02798	4.8
163.04025	1.0
164.04716	0.4
165.05597	1.4
167.03462	0.8
168.00662	0.5
175.02498	0.6
175.04022	8.6
176.01129	0.3
176.04752	1.1
177.01994	0.5
177.05577	6.4
178.02728	0.8
179.03511	19.1
180.03885	1.2
181.05084	0.3
187.03995	0.8
188.04764	0.7
189.05605	1.1
190.02766	0.4
190.06352	0.6
191.03563	1.2
191.07144	1.0
192.04196	0.3
193.05052	3.3
194.05853	0.5
195.06651	0.7
203.03508	0.8
203.07117	0.5
204.04199	0.4
205.05003	1.2
205.08745	0.3
206.05742	0.3
207.06645	0.6
209.08194	0.6
217.01387	0.5
219.06523	0.4
220.07382	0.3
221.04572	6.8
221.08015	0.3
222.04869	0.3
223.06195	0.3
233.04419	1.2
235.06097	1.6
235.09738	0.3
245.04558	0.4
251.03151	0.5
251.05597	6.5
252.05914	0.5
263.05499	0.5
265.07120	1.0
268.39264	0.3
271.02542	0.3
281.06647	13.3
282.06998	1.2
295.08237	1.2
315.45654	0.3
323.07590	0.7
327.08939	0.3
337.09375	1.4
339.08838	1.5
340.09369	0.4
341.08762	8.7
342.09213	0.8
355.10730	0.3
357.13290	0.3
369.10031	1.4
387.14450	0.6
401.16318	0.3
431.22586	0.4
441.21243	0.4
459.12659	1.4
489.14096	0.6
501.14911	0.3
533.16431	0.7
549.19293	0.4
567.20862	2.2
618.64954	0.3
743.25647	48.8
744.25885	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	743.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.88249	0.4
59.01383	3.6
61.98835	5.2
65.03957	0.4
66.72451	0.4
67.01883	0.5
68.99801	0.4
71.01395	2.9
73.02952	0.9
76.56146	0.4
81.03470	1.6
83.01391	3.7
85.02966	1.0
87.00861	0.5
88.98824	1.0
89.02475	0.8
93.03466	13.1
95.01396	1.0
95.05047	0.9
97.02953	1.0
101.02464	2.4
105.03464	0.6
107.05043	1.1
108.02225	0.5
109.02968	1.2
111.00956	0.5
113.02436	1.2
117.03461	1.3
119.05041	14.4
119.75333	0.4
120.05402	0.6
121.02953	1.7
123.00929	0.6
123.04554	3.4
125.02459	2.5
131.05022	0.7
132.02185	1.0
133.02974	7.7
133.06592	0.6
134.03740	0.7
135.04562	5.8
137.02461	1.2
137.06091	0.9
139.04057	2.1
143.05037	0.6
145.02953	1.9
146.03764	0.9
147.04553	4.1
147.08165	0.4
148.01669	1.8
149.02463	12.4
149.06160	0.8
150.02882	0.6
151.04013	1.4
159.04533	1.7
160.01711	0.7
161.01088	0.9
161.02464	17.2
161.06100	2.8
162.03110	2.3
163.04028	15.1
163.07678	0.5
164.04459	0.6
165.01958	0.6
165.05603	2.1
166.02641	0.4
167.03540	4.2
171.04588	0.5
173.02467	1.8
173.06061	0.9
175.00455	2.6
175.04028	3.4
175.07654	0.7
176.01155	1.3
176.04651	0.4
177.01996	0.9
177.05576	3.6
178.06111	0.4
179.03459	3.8
181.05092	0.6
185.06129	0.6
187.04001	3.0
187.07727	0.4
188.01120	0.6
188.04784	0.7
189.01962	5.7
189.05591	7.1
190.02744	5.2
190.05998	0.6
191.03520	46.9
192.03867	2.7
193.05107	1.4
197.04495	0.5
199.04149	0.4
201.01964	0.8
201.05643	1.6
202.02782	0.5
203.03519	17.1
203.07216	1.1
204.04193	2.6
205.05075	15.9
206.02249	0.6
206.05397	1.0
207.02963	0.5
207.06615	0.7
209.04536	3.1
214.02771	1.1
215.03545	1.5
215.07060	0.6
217.01512	2.6
217.05070	5.4
218.02148	0.7
218.05518	0.6
219.03001	1.2
219.06615	1.9
221.04572	4.2
223.06111	0.5
229.38100	0.4
230.02196	1.3
231.03006	2.4
231.06578	1.3
232.03615	2.1
233.04562	60.1
234.04910	4.2
235.06036	1.3
236.03242	0.7
239.05623	1.3
245.02020	0.8
245.04561	14.7
246.05038	1.5
247.06145	4.2
251.05647	1.1
257.04498	1.0
259.06113	1.3
263.05600	16.2
264.05939	1.3
271.06009	0.6
273.07751	0.6
275.05618	13.1
276.06003	1.0
277.07306	0.6
279.06964	0.4
281.06516	1.9
287.05649	2.4
297.07706	7.3
298.08173	0.7
300.02872	0.5
305.06650	2.1
309.07773	1.5
310.08344	0.6
311.09073	0.7
315.08746	2.6
317.06763	0.6
321.07803	0.5
327.08679	1.8
337.07288	1.5
337.10977	0.5
338.07767	1.5
339.08752	100.0
340.09064	12.4
341.09195	0.9
345.09824	1.4
351.08841	3.3
352.09451	1.0
353.10236	3.1
357.05356	0.8
357.09793	14.6
358.10074	2.2
365.10239	0.7
369.09805	47.5
370.10123	6.3
380.09314	0.5
381.09802	34.0
382.10245	4.5
383.11353	0.9
387.10840	9.8
388.11212	1.5
393.09827	0.7
399.10971	2.7
411.10846	13.0
412.11118	1.7
417.11945	5.8
418.12131	0.6
423.10873	1.2
429.11761	0.6
441.11917	10.9
442.12332	1.0
457.11435	0.7
459.12997	56.0
460.13318	8.4
470.66751	0.4
471.13077	1.6
477.13992	11.9
478.14227	2.1
483.13034	1.3
489.14139	16.4
490.14377	2.1
501.14093	1.7
503.13412	1.2
505.15039	0.6
507.15240	2.5
519.14978	0.5
543.15411	0.5
561.16638	3.3
562.16553	0.9
579.17822	6.8
580.18280	1.4
585.26056	0.5
597.18518	3.1
605.16425	1.1
609.19757	1.2
623.17920	6.4
624.18213	1.3
635.17596	1.1
653.18683	1.7
654.18372	0.6
725.20612	0.6
743.24805	7.6
744.24811	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	743.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
61.98835	11.7
63.15417	0.4
65.03967	0.5
68.99819	0.7
69.03445	0.6
71.01395	3.0
72.99298	0.9
73.02937	0.9
81.03464	1.7
83.01399	3.5
85.02942	1.0
89.02467	1.0
93.03465	11.7
95.01396	1.1
95.05041	1.4
97.02963	1.0
101.02482	2.0
105.03448	0.7
107.05029	0.9
109.02992	1.1
111.04515	0.7
112.10403	0.4
113.02457	1.6
117.03493	1.0
119.05045	13.1
120.05376	0.5
121.02969	1.6
121.06631	0.5
123.04564	3.1
125.02454	2.5
131.05052	0.6
132.02255	0.7
132.07924	0.4
133.02983	7.7
133.06619	0.9
134.03819	1.0
135.04543	6.5
137.02469	1.7
137.06091	1.3
139.04044	1.9
145.02930	2.3
145.06554	0.6
147.04533	3.7
148.01665	0.8
149.02472	10.6
149.06090	1.3
150.02963	0.4
151.04001	1.3
159.04538	1.5
160.01697	0.9
161.02469	17.7
161.06096	2.2
162.03084	1.6
163.04030	15.6
164.04416	0.8
165.01866	0.5
165.05579	3.2
167.03511	4.1
171.04643	0.5
173.02455	1.4
173.06017	1.2
175.00410	1.0
175.04022	3.6
176.01134	1.0
176.04675	0.7
177.01947	0.9
177.05602	3.4
178.02649	0.5
179.03551	4.7
179.05026	0.6
180.04207	0.7
187.04018	2.6
187.07736	0.5
188.01141	0.8
188.87665	0.5
189.01921	5.3
189.05592	6.9
190.02740	3.0
190.06053	0.5
191.03519	38.7
192.03896	2.5
193.05060	1.7
197.04517	0.7
201.05531	1.2
203.03520	13.3
203.07152	1.3
204.04224	3.1
204.85318	0.4
205.01372	0.6
205.05060	15.6
206.05336	1.0
207.03029	0.8
209.04581	3.4
209.08102	0.4
212.89037	0.4
214.02766	1.5
215.03502	1.7
217.01382	1.9
217.05058	4.3
218.05722	0.8
219.03018	1.2
219.06601	2.0
221.04538	4.0
223.06099	0.6
227.03505	0.6
229.05130	0.8
230.02237	0.8
230.92038	0.6
231.02960	2.1
231.06631	1.5
232.03758	1.3
233.04552	57.3
234.04932	4.2
235.06094	1.1
239.05560	2.0
243.06630	0.5
245.04556	13.1
246.05064	1.8
247.06093	4.4
251.05646	1.7
257.04492	1.2
259.05991	1.0
263.05579	13.0
264.05890	1.0
269.06604	0.6
273.07645	1.2
275.02591	0.6
275.05582	12.4
276.05948	1.0
277.07373	0.6
281.06680	1.8
287.05649	1.4
297.07709	6.1
298.07843	0.4
305.06638	1.4
309.07547	0.9
311.09424	0.8
315.08728	3.0
316.09167	0.5
317.06879	0.6
327.08780	1.5
335.07770	0.6
336.06555	0.5
338.08133	0.9
339.08743	100.0
340.09045	11.2
341.08902	1.6
345.09729	1.7
351.08731	2.4
352.09488	0.6
353.10413	2.8
355.08209	0.5
356.02283	0.5
357.09793	10.0
358.10382	1.0
367.08136	0.5
369.09814	36.9
370.10159	4.4
381.09799	35.1
382.10181	4.5
383.11206	1.2
387.10861	12.2
388.11172	1.5
393.09708	0.7
399.11066	2.3
411.10892	11.2
412.11261	1.3
417.11932	4.8
418.12372	1.0
423.10739	0.7
429.11874	0.5
441.11990	7.7
442.12238	1.3
459.12997	76.6
460.13342	11.1
471.12933	1.0
477.14072	8.8
478.14316	1.1
483.12891	1.0
489.14026	14.1
490.14429	1.9
501.14078	2.0
503.13480	1.9
507.14920	1.6
531.15326	0.6
533.14093	0.7
561.16278	3.2
579.17285	14.2
580.17859	2.7
597.18127	2.3
605.17035	1.1
609.19531	0.6
623.17883	7.5
624.17749	1.7
653.18738	1.4
743.24652	6.4
744.25671	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	743.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01385	8.5
61.98831	10.4
63.53981	0.9
63.81371	1.0
68.99844	1.1
69.03479	1.0
70.58651	3.0
71.01393	6.4
73.02955	1.8
75.00884	1.1
81.03460	2.7
83.01399	4.6
85.02953	2.9
87.00890	1.2
89.02463	1.9
93.02916	1.7
93.03471	20.4
95.01373	1.1
95.05044	2.3
97.02953	1.8
101.02477	4.5
105.03449	1.0
107.05027	1.3
109.02962	2.5
111.00868	3.5
113.02480	2.1
117.03465	2.2
119.05049	28.2
120.05354	3.3
121.02989	2.0
123.04536	7.4
124.68546	1.0
125.02493	7.9
131.05052	1.1
133.02963	1.7
134.03778	1.2
135.04549	3.0
137.02464	2.3
139.04018	2.2
143.05023	1.2
145.02943	3.4
145.06688	1.1
146.03418	1.1
147.04527	2.7
149.02449	5.4
149.06128	1.9
150.03137	2.1
151.00366	2.6
151.04013	1.8
153.02028	1.0
153.05630	4.9
157.06601	1.2
159.04599	1.2
160.01636	1.1
161.02466	4.7
161.06082	3.0
162.03070	1.0
163.04036	8.7
165.01826	1.0
165.05559	3.4
166.02670	1.7
167.03513	8.7
168.00659	1.1
171.04523	1.3
173.02403	1.6
175.02657	1.1
175.04012	3.9
176.04779	1.6
177.01881	1.3
177.05630	5.0
178.99878	1.2
179.03477	4.9
180.04054	1.6
181.05069	1.2
185.06122	1.7
187.03964	2.1
187.07608	1.2
189.01907	2.6
189.05615	7.6
190.02594	3.0
191.01959	1.6
191.03534	17.3
191.07132	1.4
193.05101	2.2
195.06627	1.2
197.04474	1.7
201.05576	1.7
202.02696	1.4
203.03490	7.0
204.04219	2.3
204.06560	1.1
205.05064	16.0
209.04527	3.1
215.03404	1.4
215.07050	1.6
217.01469	7.5
217.05045	9.6
218.01790	3.5
218.05698	2.6
219.02884	1.4
219.06543	4.3
221.04507	1.7
227.07228	1.1
229.05190	1.4
231.03030	3.4
231.06635	2.3
232.03668	2.2
233.04562	24.5
234.04803	1.8
235.06050	1.9
245.04538	7.3
245.06854	1.1
247.06105	13.2
253.08687	1.1
259.06104	4.5
263.05505	4.6
265.08640	0.9
267.06796	1.1
267.10303	1.1
269.08212	3.8
273.07611	2.1
275.05545	4.2
275.15460	0.9
277.07089	2.2
281.08148	3.7
285.07697	1.8
297.07669	3.8
309.07651	1.3
311.09314	10.6
312.09528	1.1
315.08456	5.7
323.09186	5.9
324.09720	1.1
325.07254	1.4
325.10742	1.6
327.05090	1.1
327.08615	1.9
335.09171	1.5
337.07260	6.8
337.10660	1.3
338.07361	4.7
339.08725	28.7
340.09134	3.1
341.10031	1.0
345.09775	2.5
351.08548	1.4
353.10333	25.0
354.10660	3.7
365.10400	8.1
366.10797	1.1
367.08124	1.2
369.09863	7.7
381.09683	7.7
383.11432	7.7
384.11618	1.2
385.09137	1.1
395.11365	3.5
411.10739	2.9
417.13287	2.6
445.12750	2.2
457.11508	4.9
458.11877	4.8
459.14484	29.0
460.14554	4.0
471.14554	3.7
475.13834	1.7
477.13736	1.4
489.15567	9.3
490.15475	1.6
501.15027	2.7
503.13474	3.3
515.13306	1.9
519.16650	1.8
533.14398	2.2
561.17542	4.4
562.17865	1.2
579.18854	11.2
580.18848	2.9
591.18799	1.9
605.16248	5.5
606.16968	2.3
607.02087	1.0
609.20026	2.1
623.17859	41.1
624.18262	7.2
635.17780	3.2
636.17444	1.4
653.18823	16.0
654.19214	4.4
683.38739	2.0
699.22845	2.7
725.20428	5.1
726.20612	2.2
743.21967	100.0
744.22369	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.9
61.55239	1.2
61.98835	57.1
67.01919	2.2
68.99812	2.3
69.03458	1.9
70.00632	5.6
70.01042	2.4
71.01385	8.1
73.02970	2.6
81.03474	2.8
83.01406	10.2
85.02977	2.7
87.00899	2.3
88.98800	2.1
89.02477	3.8
89.61547	1.4
93.03477	40.8
95.01424	2.0
95.05042	2.7
97.02972	3.5
98.20644	1.4
101.02464	4.3
107.01456	1.9
109.02970	8.0
109.42769	1.3
111.00910	6.9
111.04563	1.4
113.02512	3.6
117.03477	6.2
119.05051	54.7
120.05437	1.8
121.03004	2.9
123.04561	7.2
124.01713	1.8
125.02455	11.1
129.01997	1.5
133.02975	4.3
133.06586	1.6
134.03772	4.9
135.04578	5.5
136.01692	2.2
137.02461	5.8
137.06085	1.7
139.04045	6.8
141.65660	1.3
142.06633	2.3
143.05043	2.7
145.02988	10.5
145.08740	3.5
146.03773	1.5
147.04538	6.0
149.02484	5.7
149.06117	3.5
150.03232	3.2
151.00417	3.1
151.03993	3.2
152.01198	1.5
153.01959	2.3
157.01343	2.3
157.06631	2.9
159.04558	2.5
159.08200	3.0
160.01732	3.4
161.02501	12.7
161.04694	1.5
161.06129	5.4
162.03281	2.1
163.04066	17.4
164.04723	1.8
165.01999	2.8
165.05611	7.5
166.02707	2.4
167.03508	13.5
168.00647	1.8
172.05290	1.3
173.02495	3.9
173.06128	3.6
175.00432	3.2
175.02637	2.3
175.04039	11.0
175.07651	1.9
177.02034	1.7
177.05586	12.0
179.03545	6.1
180.04308	3.1
185.06125	6.1
187.04082	3.7
187.07581	2.0
187.09824	1.8
189.02025	7.7
189.05582	14.3
190.02771	4.3
191.03525	8.2
191.07184	2.6
192.04201	1.6
193.05106	5.5
195.06616	2.3
197.04550	1.9
197.06186	1.5
201.05620	3.0
201.08905	1.3
203.03497	9.4
203.07182	5.3
204.04225	4.4
204.06596	1.9
205.05072	27.7
205.06693	1.0
206.05533	2.5
207.02965	1.8
208.24962	1.5
209.04485	2.5
213.05475	2.6
215.03616	2.2
215.07141	7.2
217.01495	22.0
217.05040	18.8
218.01947	2.3
218.05620	3.2
219.02913	2.6
219.06609	10.3
221.04572	2.4
227.07103	2.3
229.05064	4.8
231.03052	6.3
231.06548	7.6
232.03896	2.7
233.04558	10.1
237.09172	2.9
239.06976	1.6
241.05099	2.5
243.02942	1.7
243.06618	2.7
245.04475	6.7
246.05278	1.9
246.07666	2.0
247.06113	21.4
248.06514	2.2
255.06541	2.0
258.05200	1.8
259.06100	13.6
260.06543	2.6
263.05518	2.6
265.08975	3.0
267.06662	2.2
269.08310	7.3
271.06094	3.5
273.07657	3.7
277.07214	4.4
281.08237	8.0
283.09888	1.9
285.07434	1.7
286.08313	1.9
289.07144	2.8
293.08325	3.1
295.06299	1.7
295.09836	3.9
307.06195	2.0
307.09821	1.8
309.07904	2.7
309.11368	1.8
311.09320	16.3
312.09680	1.9
315.08685	4.3
321.07767	3.4
323.09250	17.1
324.09521	2.0
325.07388	2.0
325.10834	4.3
327.08823	4.4
335.09219	7.3
336.09875	1.8
337.07153	26.3
337.10794	4.2
338.07458	6.6
339.08719	8.9
340.09064	3.5
345.09897	2.2
351.08536	2.5
353.06296	2.8
353.10345	39.9
354.10843	4.7
365.10315	31.8
366.10764	3.9
367.08020	3.1
369.09964	4.2
370.10178	1.6
377.10269	5.5
379.08270	1.8
381.09909	4.4
383.11429	18.8
384.12021	1.7
395.11456	11.7
407.11475	2.5
411.10428	2.5
417.13068	2.7
419.11441	1.7
429.13153	1.8
441.12003	1.5
449.15710	1.7
451.86499	1.6
455.13553	4.6
457.05692	1.1
457.11398	29.6
458.11807	5.2
459.14487	55.1
460.14511	6.4
471.14536	14.0
471.96606	1.6
472.13254	1.4
473.12585	3.5
485.14063	1.6
487.13220	2.3
489.15543	23.4
490.15826	3.1
501.15869	7.4
503.13562	27.4
504.14127	3.7
515.13306	12.3
519.16852	2.2
531.16541	2.5
533.14374	10.3
545.14410	5.9
546.15637	1.8
561.17822	32.9
562.17969	6.5
577.15704	2.5
579.18970	3.4
591.18732	9.4
592.19342	1.8
605.16675	55.5
606.16931	9.3
623.17847	100.0
624.18469	18.4
635.17767	30.6
636.17896	5.1
653.18835	52.0
654.19336	8.6
680.30865	3.1
683.38873	3.1
705.21875	1.7
707.19916	4.7
708.20807	2.1
725.21210	14.6
726.21387	3.7
743.21533	19.8
744.22864	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	742.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
60.99316	1.4
61.98833	100.0
63.99261	0.5
71.01389	2.3
71.40353	0.3
71.71263	0.4
73.02956	0.9
75.00871	0.3
77.79014	0.3
83.01412	0.8
84.59968	0.3
85.02969	1.2
88.98816	9.1
89.02454	0.5
89.99172	0.6
94.01873	0.3
99.00935	0.4
101.02474	1.6
104.59786	0.3
113.02470	0.9
161.02480	0.7
209.11867	0.4
235.66916	0.3
240.09094	0.3
473.32822	1.5
489.31940	0.3
635.38263	2.9
636.38715	0.5
679.37231	75.8
680.37531	19.5
743.36835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41604	0.2
59.01110	0.2
59.01377	6.1
59.01670	0.4
70.03199	1.1
71.01377	0.4
72.99310	2.2
73.02953	0.2
75.00867	0.2
89.02442	0.4
95.89503	0.2
98.20535	0.3
111.00930	0.2
114.54041	0.2
116.05082	3.2
119.05085	0.2
127.61911	0.2
128.05063	1.6
130.06660	1.6
132.04572	0.3
135.80212	0.2
137.86324	0.2
139.00345	0.2
142.06642	100.0
143.06992	5.3
143.08133	0.2
144.04579	0.5
147.04518	0.3
157.01414	0.2
158.06134	12.6
159.06537	0.5
165.05580	0.8
172.04094	0.4
175.00513	0.2
184.07703	0.2
186.05620	45.3
187.05968	3.0
204.06667	72.9
205.06999	5.0
207.06630	0.4
228.06671	0.4
246.07703	51.6
247.08083	3.9
300.02869	0.3
327.08817	0.2
338.70001	0.2
451.32806	0.2
452.12231	0.3
503.19263	1.2
543.02435	0.2
548.60675	0.2
579.13763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.0
59.01385	11.5
61.98834	86.0
63.02407	2.7
65.00333	4.3
65.22256	1.0
65.55537	1.0
69.03481	1.7
71.01395	11.5
73.02955	2.0
81.03452	1.3
83.01411	5.2
85.02973	5.5
87.00916	1.3
87.19099	1.1
88.98835	4.0
89.02470	4.7
93.03467	10.4
95.01396	1.0
97.02954	2.4
101.02466	7.0
107.01420	10.6
107.05016	1.7
108.02208	2.6
109.02976	3.6
111.00896	4.0
113.02462	4.3
115.00430	1.4
117.03500	3.5
119.03601	1.0
119.05048	20.2
120.05314	1.6
121.02970	4.8
123.00901	2.9
123.04515	4.0
124.01724	6.2
125.02471	8.2
132.02167	1.9
133.02989	17.3
134.03732	4.6
135.04541	9.8
136.01730	1.5
137.02493	3.7
137.06108	1.1
138.03247	2.1
139.04056	3.3
145.02985	8.4
147.04567	3.4
148.01704	1.1
148.67947	1.2
149.02457	5.5
149.06111	2.4
149.99611	2.4
150.03235	3.4
151.00400	33.5
151.04015	3.8
152.01184	9.9
153.01939	1.8
153.05614	1.3
159.04565	2.7
159.08194	1.7
160.01718	3.5
161.02480	43.4
161.04573	2.3
161.06126	1.5
162.03012	4.9
163.00401	2.1
163.04030	6.4
164.01205	2.9
164.04878	1.9
165.05640	7.0
167.03529	6.1
168.00653	2.8
169.01413	4.3
172.05295	1.4
173.06133	1.7
175.02649	2.2
175.04008	8.3
175.07707	1.5
177.01930	1.4
177.05617	3.7
178.99908	14.4
179.03502	7.4
185.06117	1.3
187.03999	2.0
189.01952	1.9
189.05608	5.5
190.02711	5.4
191.03546	7.3
191.07213	2.3
192.00612	2.0
193.01404	1.4
193.05070	3.5
199.03984	1.4
201.05482	1.6
203.03545	5.4
204.04280	2.3
205.05087	13.0
207.02971	1.4
209.04472	1.5
213.05624	2.3
215.03484	2.2
216.04259	2.3
217.01422	4.6
217.05113	5.2
218.01909	2.1
218.05858	1.5
219.06685	1.7
221.04614	1.7
223.06131	2.6
227.03516	4.7
229.05054	4.4
230.05714	1.7
230.40704	1.6
230.42969	1.6
231.03024	2.0
231.06642	2.0
233.04549	4.0
235.06125	1.9
241.05089	4.6
243.02986	11.0
245.04568	4.4
246.05310	2.0
247.06161	6.0
254.02281	1.6
255.02988	21.9
257.04584	5.1
263.05576	2.8
265.07104	2.4
267.06564	1.5
269.04587	6.1
269.08176	1.8
270.05078	1.8
271.02490	57.5
272.02911	7.7
275.05399	1.6
281.08298	1.5
283.09814	1.7
285.04037	17.0
285.07047	2.0
286.04688	4.6
289.64847	1.3
297.04227	3.0
297.07510	1.5
297.11255	1.6
299.02036	9.5
300.02771	100.0
301.03336	18.7
311.09253	5.7
312.09824	1.5
313.03531	15.7
314.04340	48.6
315.04733	4.3
315.08374	1.6
323.09079	4.6
325.10883	1.9
327.08694	3.0
327.12299	2.0
335.09122	1.7
337.07126	3.9
337.10800	1.5
338.07394	3.4
339.08524	7.1
341.02933	1.9
346.03314	66.8
347.03784	7.6
353.10294	10.7
358.10245	1.3
365.10181	6.7
367.10455	6.8
369.09860	8.4
370.10260	1.8
375.14761	1.4
381.09589	1.7
383.11411	4.2
395.11591	1.5
399.10645	1.5
411.10977	3.4
417.12869	1.4
419.07907	1.6
420.08478	18.1
421.09091	4.1
447.07446	1.5
457.11621	4.0
458.12000	4.7
459.14279	13.3
471.14447	3.5
489.15158	10.0
490.15311	1.5
501.15228	1.7
503.13565	5.1
515.13593	2.9
533.14551	3.3
561.18060	7.5
579.13434	43.6
580.14288	7.3
581.19647	2.0
591.18872	1.8
605.16589	10.5
606.16022	1.6
619.13330	3.8
623.17676	23.5
624.18274	5.6
635.17920	5.6
636.18732	1.9
639.63983	1.3
653.18933	16.2
654.19360	2.8
680.30426	2.3
681.22278	1.4
683.38861	2.2
699.19531	37.3
699.32166	1.7
700.20074	8.4
725.17548	15.4
726.19519	4.0
743.17560	87.3
744.17676	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	741.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03438	1.2
58.00586	0.9
59.01382	26.8
61.98832	9.2
65.00572	0.5
69.03451	1.8
70.63209	1.8
71.01388	23.5
72.99306	1.9
73.02953	3.8
76.16122	0.6
78.95914	3.9
81.03467	0.9
83.01385	3.0
85.02964	5.4
87.00881	5.5
89.02454	18.5
91.95358	0.5
95.01393	1.7
97.02949	3.7
99.00861	1.8
99.04538	0.5
101.02454	19.1
111.04510	0.7
113.02459	8.6
119.03498	4.7
120.14225	0.6
125.02473	7.6
125.03326	1.1
131.03508	0.8
133.05045	1.1
143.03526	3.4
145.02936	1.2
152.99623	2.8
161.04576	3.8
171.10309	0.7
179.05624	3.5
182.45578	0.5
199.06035	0.6
209.11864	4.7
217.07097	0.7
221.06639	1.4
225.11133	0.7
227.12907	1.6
235.08218	8.3
253.09242	1.9
253.21678	1.5
255.23366	1.2
263.07748	1.0
277.09152	0.6
277.21722	5.3
278.21906	0.9
283.26428	63.2
284.26746	7.4
287.07654	2.9
305.08783	3.8
323.09842	0.9
397.13522	100.0
398.13879	9.9
415.14584	29.6
416.15002	2.1
481.22543	0.7
505.25891	3.9
617.38672	1.9
618.38959	1.9
681.40936	6.1
682.41760	1.0
741.45135	1.8
769.39752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52628	0.2
57.03450	0.6
59.01379	5.8
59.01670	0.3
61.98835	0.4
69.65211	1.0
69.65624	0.4
71.01418	0.2
72.99312	2.4
81.03465	1.4
83.01394	2.1
85.02921	0.2
93.03454	0.3
99.04532	0.2
107.01425	0.2
109.02980	1.6
116.05083	4.2
117.05443	0.2
119.05040	1.5
120.05389	0.2
123.04547	10.4
124.04887	0.4
125.02467	10.8
128.05078	1.3
130.06665	1.5
131.03976	0.2
132.04585	0.4
135.04507	1.1
142.06644	100.0
143.06995	6.3
144.04549	0.4
145.02985	0.5
149.02470	0.2
151.00378	0.6
158.06139	11.8
159.06467	0.8
161.02449	0.5
163.03972	0.3
167.03516	34.3
168.03827	1.8
172.04025	0.3
173.02501	0.3
175.04041	0.2
179.03529	0.7
186.05624	41.4
187.04193	0.5
187.05945	3.0
191.03477	0.5
203.07201	0.3
204.06670	68.2
205.07021	5.4
217.01392	1.0
227.07144	0.5
245.08218	1.0
246.07707	49.6
247.08037	4.5
249.08641	0.2
261.04370	0.2
271.02722	0.3
271.06131	2.1
272.02927	0.3
272.06189	0.3
273.02914	0.2
289.07178	43.1
290.04321	0.2
290.07535	4.6
300.02777	0.5
301.03281	0.5
302.03690	0.8
303.03796	0.2
327.08737	0.5
337.07132	1.5
338.07544	0.7
367.08389	0.3
396.59262	0.2
398.51752	0.2
443.54211	0.2
449.10040	0.5
450.10367	0.6
451.12253	1.4
457.11374	1.5
458.11737	0.8
740.50085	0.2
742.18561	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	741.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01378	6.2
61.98837	7.3
67.54073	0.5
71.01382	6.0
73.02934	1.1
74.69670	0.5
83.01405	1.1
83.69646	0.6
85.02950	2.2
87.00904	1.0
88.98812	1.0
89.02457	3.7
92.11188	0.6
95.05006	1.5
97.06607	4.5
98.20704	1.5
99.00924	0.8
101.02454	5.4
109.06653	0.7
111.00910	0.7
111.08177	4.5
113.02464	2.9
125.02447	0.8
135.05406	0.6
141.46524	0.6
151.11307	15.6
152.11682	0.8
160.03107	0.6
161.04546	1.5
169.12360	65.8
170.12674	4.1
171.10236	1.6
183.24977	0.6
185.11833	1.3
195.10205	1.5
195.13879	0.8
197.11848	21.1
198.12213	1.5
199.13399	2.2
209.11829	7.8
211.13387	4.1
212.13794	0.8
213.11316	8.2
218.33289	0.6
227.12912	2.1
228.13199	1.1
235.08231	1.6
253.09268	5.2
263.20160	1.4
273.18570	0.7
277.21664	1.7
291.19650	3.7
292.19992	0.8
293.21136	0.9
295.22797	5.3
296.23047	0.8
309.01654	0.6
309.20679	8.0
311.22034	1.2
397.07367	0.6
405.21173	0.7
431.19098	1.9
433.69275	0.6
449.20267	4.0
505.25446	0.9
687.05804	0.7
741.40802	100.0
742.41138	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	741.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.5
60.99294	1.7
61.98837	54.9
71.01391	7.7
71.71710	1.4
71.72087	1.1
72.99331	0.9
73.02959	1.9
73.94289	1.0
75.00881	1.2
76.93619	1.1
78.70560	1.0
79.95732	1.0
80.96518	2.8
83.05029	3.3
87.00841	1.4
87.36724	1.0
88.98816	9.3
89.02467	5.0
90.99194	1.1
98.48782	1.3
99.00902	1.2
101.02443	4.6
108.04521	1.2
113.02446	3.8
115.00419	0.9
115.28056	1.1
116.92841	1.2
125.02490	1.3
134.03700	1.4
161.02454	2.3
161.04588	1.2
162.86678	1.0
163.11314	2.3
171.10249	1.2
175.04039	1.4
181.12300	1.3
190.02734	1.4
193.05066	1.6
195.06619	1.3
205.04930	1.2
209.11852	100.0
210.12148	6.8
211.13432	1.3
212.11414	1.0
219.09665	1.0
225.11276	2.2
227.12901	27.3
228.13202	2.8
235.08234	3.5
246.94107	1.1
253.09288	7.3
337.07117	1.5
445.20862	11.0
479.34457	1.1
538.90729	1.1
637.32153	3.6
673.34674	2.5
741.34760	37.5
742.34961	9.0
746.40326	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	741.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17039	0.2
59.01391	1.4
61.98837	1.7
68.99841	0.5
69.45092	2.2
71.01389	0.7
77.03986	0.3
83.01404	0.3
85.02956	0.3
89.03978	0.5
91.01917	0.3
93.03475	15.3
101.02468	0.4
101.03977	0.3
103.01906	0.2
113.02450	0.4
116.92809	0.3
117.03486	8.2
119.05048	64.4
120.05380	2.8
121.02986	1.2
123.04539	0.6
125.02492	0.5
131.01443	0.6
133.02950	1.1
135.04546	0.4
137.02367	0.3
142.06676	0.8
143.05052	0.7
143.06996	0.3
145.02986	10.2
146.03308	0.4
147.04533	1.0
149.02483	2.1
159.04535	0.7
160.01656	0.4
161.02466	13.8
162.03000	0.7
163.04033	10.5
164.04396	0.7
165.02010	0.3
167.03516	0.9
171.04593	0.4
173.02461	10.9
174.02872	0.7
174.61102	0.3
175.00383	3.9
175.03947	1.2
176.01138	0.4
177.02042	0.3
179.03517	0.3
185.02545	0.3
186.05670	0.5
187.00417	0.5
187.04012	2.8
187.05623	0.4
188.01172	2.8
189.01959	14.1
190.02399	1.1
191.03502	3.1
193.01401	0.5
199.00462	0.4
201.01994	0.6
202.02567	0.4
203.03532	4.4
204.06702	0.6
205.05139	0.2
205.07101	0.3
209.04559	0.2
215.03568	1.8
217.01440	65.9
218.01794	4.0
221.04483	0.4
229.01340	0.3
230.02254	0.6
231.03000	9.0
232.03339	0.7
235.02472	0.7
243.03015	4.8
244.03459	0.3
245.04575	0.3
246.07890	0.4
247.02399	2.7
248.02855	0.3
259.02585	0.8
267.06537	0.5
273.04031	0.3
291.06674	0.8
294.05359	0.3
295.06207	1.7
307.06134	0.5
313.07150	0.5
315.05011	0.2
319.06091	0.5
327.08682	0.6
337.07193	79.5
338.03381	0.5
338.07538	10.1
355.08194	2.0
356.08743	0.4
367.08240	10.3
368.08560	1.2
379.08234	2.8
380.08539	0.5
385.09314	2.3
386.09753	0.3
397.09402	0.3
409.09305	0.5
415.10339	0.7
439.10275	1.9
457.11411	100.0
458.11768	15.1
462.02246	0.2
475.05664	0.3
475.12509	5.9
476.12845	0.7
487.12479	2.0
498.42551	0.2
499.12796	0.8
505.13458	0.7
559.14709	0.6
577.15741	5.3
578.16351	0.8
595.16779	4.1
596.17346	0.9
621.16248	2.0
622.16302	0.5
651.17810	0.3
723.19757	0.4
733.05023	0.2
741.20367	3.0
742.20233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60373	0.4
57.03450	0.9
59.01377	2.6
61.98832	0.8
68.99815	0.6
71.01386	1.3
71.71796	0.4
72.99347	0.5
73.02941	0.4
75.00883	0.5
83.01397	0.4
85.02964	0.6
87.00903	0.4
89.02467	0.9
93.03476	14.3
99.04565	0.6
101.02460	0.7
111.00897	0.7
113.02473	0.6
115.62106	0.3
117.03486	7.8
119.05048	52.3
119.25190	0.4
120.05379	2.4
121.02955	1.1
123.04527	0.4
125.02467	0.6
131.01424	0.5
133.02977	1.3
134.03801	0.4
135.04541	1.0
136.01743	0.3
137.02457	0.7
142.06633	6.1
143.05049	1.2
143.06964	1.2
145.02972	7.4
146.03265	0.4
147.04546	1.2
149.02463	1.5
149.04684	0.5
150.03255	0.7
151.00404	0.8
151.04045	0.7
158.06113	1.0
160.01701	0.8
161.01122	0.8
161.02467	14.7
162.02956	0.9
163.04037	8.5
164.04401	0.5
165.01944	0.8
165.05597	1.0
166.66109	0.3
167.03476	0.7
173.02470	8.8
175.00375	3.2
175.02472	0.4
175.04030	0.9
176.01027	0.3
177.01978	0.7
177.05647	0.4
179.03506	0.9
186.05673	2.2
187.00380	0.7
187.04056	2.5
187.05728	0.6
188.01212	2.2
189.01970	12.2
190.02496	0.8
191.03525	2.4
195.06651	0.8
199.00346	0.4
201.01901	0.4
202.02817	0.5
203.03534	4.0
204.06689	4.9
205.05223	0.4
205.07022	1.3
215.03555	1.8
217.01445	59.2
218.01781	4.3
225.07722	0.6
230.02078	0.9
231.03012	8.9
232.03236	0.7
235.02586	0.5
237.09346	0.6
243.02989	4.2
246.07747	2.8
247.02501	2.5
247.07990	0.6
255.02899	0.8
256.07431	0.7
259.02463	1.2
271.02530	1.3
271.09756	0.6
273.04175	0.5
279.06918	0.3
291.06583	0.6
295.06268	0.7
300.02802	2.0
301.03284	0.5
319.06366	0.5
327.08667	2.5
337.07196	73.7
338.07510	8.3
355.08212	1.5
367.08255	6.9
368.08383	0.7
379.08273	2.0
385.09491	1.8
397.09393	0.6
409.09488	0.6
415.09988	0.5
439.10352	1.0
450.20706	0.7
457.11417	100.0
458.11743	16.3
458.18216	0.5
475.12473	3.5
476.12689	0.5
487.12653	1.1
577.15833	4.8
578.16180	0.9
595.16638	2.8
596.16626	0.8
621.16547	1.6
651.17578	0.8
741.18689	3.3
742.20453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24294	0.2
59.01390	1.3
61.98839	2.9
68.99843	0.3
69.83957	1.5
70.24862	0.2
71.01389	1.2
75.00875	0.2
79.01924	0.4
83.01418	0.4
85.02950	0.5
88.98856	0.2
89.02469	0.4
89.03977	0.3
91.50489	0.3
93.03473	13.6
94.03795	0.3
94.93639	0.3
97.02983	0.5
101.02447	0.5
107.01380	0.5
109.02965	0.3
111.00897	0.2
113.02525	0.4
117.03488	7.2
119.05046	61.8
120.05379	2.6
121.02999	1.0
123.04539	0.5
125.02430	0.5
129.03546	0.3
131.01430	1.1
131.05022	0.4
133.02965	1.0
135.04550	0.5
137.02449	0.4
139.04031	0.4
143.05084	0.8
145.02982	9.1
146.03296	0.4
147.04536	1.1
149.02461	1.8
151.00281	0.3
159.04565	0.8
160.01697	0.5
161.02470	10.1
161.06102	0.4
162.03040	0.7
163.00438	0.3
163.04028	8.3
164.04433	0.4
165.01964	0.5
167.03537	1.1
171.04535	0.3
173.02461	8.7
174.02867	0.5
175.00391	5.1
175.03909	1.1
176.00919	0.3
177.01941	0.5
177.05566	0.2
179.03511	0.6
185.02434	0.3
187.00395	0.6
187.04021	3.1
188.01180	1.7
188.04457	0.2
189.01953	12.2
190.02525	1.3
191.03493	2.8
192.03851	0.3
193.01439	0.8
199.07797	0.3
201.01958	0.6
202.02826	0.4
203.03502	4.1
205.01434	0.4
205.05113	0.3
215.03564	1.7
216.00644	0.5
217.01433	53.5
218.01788	4.1
219.02937	0.3
221.04625	0.5
229.01428	0.5
230.02245	0.6
231.02986	8.8
232.03391	0.8
233.04495	0.3
235.02451	1.1
243.03006	3.8
244.03473	0.3
245.04529	0.6
247.02475	4.6
248.02852	0.4
258.97333	0.3
259.02405	1.9
261.04080	0.4
265.03656	0.3
273.04010	0.7
289.03561	0.6
291.06732	0.4
295.06161	2.7
296.06592	0.6
307.06119	0.7
309.07581	0.5
313.07202	1.0
319.06335	0.4
337.07184	80.0
338.07547	11.2
339.08615	0.3
343.04419	0.3
343.08450	0.5
349.07126	0.5
350.08096	0.3
351.08615	0.4
355.08282	4.6
356.08521	0.5
367.08258	13.8
368.08719	1.7
379.08215	6.3
380.08640	1.1
385.09335	4.3
386.09677	0.5
391.08136	0.4
397.09293	0.9
409.09164	1.5
415.10284	1.5
439.10376	2.4
440.10532	0.3
457.11401	100.0
458.11746	15.5
475.12421	7.0
476.12762	1.0
487.12537	2.3
488.12881	0.4
499.12692	1.5
505.13416	1.1
559.15088	0.7
577.15698	9.4
578.15967	2.0
595.16742	6.1
596.16925	1.1
621.16132	2.8
622.16931	0.6
651.17438	0.5
741.20471	2.8
741.31799	0.5
742.21063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98844	2.4
68.99817	0.4
69.70998	0.7
69.71417	1.5
70.78630	0.3
71.01385	1.0
73.02957	0.4
83.01397	0.4
85.02982	0.5
89.02460	0.5
93.03472	13.7
94.03804	0.4
95.01418	0.3
95.72938	0.3
97.02956	0.5
101.02510	0.7
101.19080	0.3
105.03461	0.3
107.01385	0.6
108.02187	0.5
113.02509	0.4
117.03482	6.8
117.04266	0.5
119.05048	65.4
120.05386	2.7
121.02974	1.3
123.04549	0.8
125.02454	0.7
131.01425	1.3
131.05074	0.6
133.02986	0.7
135.04539	0.8
137.02542	0.4
143.05037	0.4
145.02983	10.1
146.03365	0.7
147.04619	0.7
149.02495	1.9
151.00409	0.5
151.03981	0.5
157.56068	0.3
159.04549	1.3
160.01649	0.5
161.02478	11.1
161.06064	0.4
162.02968	0.9
163.00467	0.4
163.04039	10.1
163.05399	0.7
164.04507	0.7
165.05679	0.5
167.03497	1.1
171.04539	0.7
173.02478	8.6
173.06059	0.3
174.02988	0.6
175.00400	5.7
175.04030	1.6
176.01073	0.6
177.01910	0.6
179.03481	0.5
185.02460	0.4
187.00439	0.7
187.04028	3.2
188.01196	2.7
188.04347	0.4
189.00256	0.6
189.01955	11.2
190.02451	0.7
191.03506	3.2
193.01424	0.9
193.05188	0.4
199.00381	0.6
201.01935	0.9
203.03548	4.2
204.03854	0.4
204.06702	0.3
205.01439	0.7
205.05125	1.0
207.03001	0.5
215.03502	1.9
216.00606	0.6
217.01428	56.7
218.01746	3.6
218.19034	0.3
219.02975	0.5
221.04521	0.4
229.01390	0.6
229.05019	0.4
230.02161	0.4
231.02994	8.1
232.03299	0.6
233.04611	0.8
235.02534	1.0
243.03009	4.7
244.03357	0.4
245.04527	0.3
247.02486	4.1
259.02444	1.7
261.04031	0.4
273.04074	1.0
291.06641	0.8
295.06125	2.5
307.05994	0.6
309.07861	0.3
313.07193	1.2
319.06290	0.6
325.07169	0.4
327.08878	0.3
336.06311	0.4
337.07196	83.9
338.07547	9.0
338.11432	0.6
339.08881	0.7
343.08228	0.6
349.07327	0.6
351.08990	0.7
355.08203	4.4
367.08261	13.0
368.08582	1.3
379.08279	6.7
380.08435	0.6
385.09299	4.2
391.08182	0.4
397.09329	0.9
409.09259	1.7
415.10526	1.6
439.10300	2.4
440.10605	0.4
457.11404	100.0
458.11731	14.6
458.18301	0.4
475.12463	7.4
476.12842	1.2
487.12589	2.6
488.13278	0.5
499.12537	1.2
505.13367	1.2
559.14795	1.0
577.15729	11.1
578.15887	2.0
579.21423	0.4
595.16718	5.2
596.17169	1.0
621.16150	3.1
622.16840	0.5
651.16913	0.4
671.64075	0.3
734.39215	0.3
741.20770	2.7
741.31110	0.5
742.21082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30835	0.3
59.01378	1.3
61.98834	0.9
68.99821	0.5
69.57302	0.3
71.01389	1.0
75.00916	0.3
81.94801	0.3
83.01422	0.5
89.02474	0.3
90.91096	0.3
93.03468	15.0
94.03809	0.6
101.02453	0.5
101.03947	0.5
105.03458	0.5
106.61639	0.3
107.01423	0.3
109.02927	0.5
116.05081	0.4
117.03482	7.3
119.05045	56.0
120.05396	2.4
121.02979	1.4
123.04533	1.0
125.02473	1.4
128.34517	0.3
131.01434	0.5
131.05040	0.5
133.02956	1.2
135.04536	1.1
135.20280	0.3
142.06645	11.0
143.05064	0.4
143.06995	1.2
144.07295	0.3
145.02986	8.4
146.03336	0.5
147.04555	0.9
149.02493	1.7
151.00394	1.2
152.00723	0.4
153.01894	0.4
157.12270	0.3
158.06137	1.2
159.04530	0.8
160.01686	0.9
161.02469	12.6
162.02910	0.6
163.02707	0.6
163.04037	10.2
164.04387	0.6
167.03513	3.0
173.00958	0.6
173.02452	9.8
174.02950	0.5
175.00412	4.2
175.04021	1.1
179.03551	0.4
185.02563	0.3
186.05623	3.9
187.00426	0.8
187.04016	2.5
187.05840	0.6
188.01167	3.0
188.06276	0.4
189.01967	12.4
190.02403	0.8
191.03529	2.6
199.00381	0.5
202.02821	0.3
203.03557	4.3
203.12914	1.0
204.03824	0.6
204.06680	6.2
205.06999	0.8
213.85454	0.3
215.03519	2.4
217.01437	62.9
218.01788	4.1
219.02870	0.4
230.02222	0.7
231.03001	8.9
232.03372	0.6
235.02559	0.4
243.02966	5.2
245.04501	0.4
245.13976	0.5
246.07733	5.8
247.02469	2.0
247.07921	0.6
259.02448	1.1
267.06549	0.5
272.02829	0.6
273.03967	0.4
287.05438	0.5
289.07205	3.6
295.06125	1.9
300.02960	0.5
301.03214	1.4
302.03809	0.9
303.03888	0.5
310.65048	0.3
313.07147	0.7
319.06027	0.5
327.08698	0.5
334.28723	0.3
337.07181	82.5
338.07510	10.2
355.08295	2.3
367.08234	9.4
368.08578	1.3
370.95282	0.3
379.08328	2.7
380.08514	0.5
385.09213	1.9
397.09332	0.4
409.09256	0.9
415.10327	0.6
417.94101	0.3
439.10367	2.2
447.09277	0.7
448.09674	0.8
449.09943	1.8
450.10138	1.3
457.11401	100.0
458.11752	15.7
475.12405	5.7
476.12738	0.9
487.12296	2.0
499.12222	1.0
505.13388	1.1
577.15723	6.2
578.16205	1.0
595.16779	4.1
596.16766	0.7
621.15979	1.9
651.17340	0.9
741.20508	3.5
742.21436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1904
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
55.01445	0.3
57.03438	0.4
59.01379	5.4
61.98839	0.3
63.02402	0.5
65.00334	1.0
69.50513	1.3
69.50947	1.1
71.01391	1.9
72.25426	0.3
72.99299	0.4
73.02946	0.4
81.03434	0.3
83.01412	0.9
85.02956	0.8
87.00898	0.4
89.02464	0.9
98.20679	0.6
101.02470	0.7
107.01422	1.9
108.02221	1.6
109.02950	0.5
111.00883	0.9
113.02501	0.6
121.02962	0.8
124.01716	0.3
125.02464	0.4
131.07211	0.3
133.02989	0.5
134.03764	0.5
135.00899	0.5
136.01697	0.5
137.02486	0.4
142.06638	0.4
147.04555	0.9
148.01729	1.3
149.02464	0.4
151.00392	6.2
151.04005	0.6
152.01120	0.4
159.04558	0.5
161.02449	0.6
161.04523	0.3
163.00404	0.9
164.01189	0.7
165.05592	0.8
166.02765	0.5
169.01427	0.6
174.03241	0.3
175.02441	0.7
175.04010	0.6
178.99886	4.1
183.04506	0.4
187.03952	0.5
188.15408	0.3
189.05498	0.3
193.05092	1.0
199.03993	0.7
204.06750	0.3
207.06699	0.4
209.06702	0.5
211.04034	0.4
213.92509	0.3
215.03462	0.6
216.04324	0.5
224.48962	0.3
226.02769	1.7
227.03546	2.8
228.04140	0.3
235.06123	0.8
243.02983	11.1
244.03372	1.2
245.04477	0.3
246.07903	0.3
254.02176	2.2
255.02972	27.1
256.03290	1.6
271.02463	59.0
272.02881	6.7
273.03818	0.5
283.02521	0.3
295.08011	0.5
299.02063	2.7
300.02762	100.0
301.03268	12.8
302.04117	0.6
342.11172	0.4
343.04581	0.3
357.13416	0.9
405.15704	0.4
413.13449	0.5
420.37021	0.3
435.16763	0.9
741.18988	65.0
742.19281	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	740.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45494	0.1
59.01382	0.6
61.98833	100.0
62.98528	0.1
70.63117	0.3
71.01391	0.3
73.02952	0.1
78.95927	0.1
85.02971	0.1
88.98832	0.2
89.02454	0.2
101.02472	0.2
103.52792	0.1
105.96347	0.1
109.20311	0.1
111.08221	0.2
113.02473	0.2
116.92876	0.5
119.03564	0.1
124.28099	0.1
125.02467	0.1
161.04674	0.1
165.12904	0.1
169.12390	0.1
183.13966	0.3
184.14365	0.1
195.14061	0.1
197.11832	0.7
198.12286	0.2
199.13463	0.1
209.11833	1.3
210.12175	0.2
211.13411	4.0
212.13759	1.4
219.68184	0.1
227.12860	0.4
228.13239	0.1
235.08366	0.3
236.08698	0.1
253.09264	0.8
254.09659	0.1
277.21918	0.2
279.23508	0.2
280.23630	0.3
281.24109	0.1
282.24521	0.1
291.19577	0.4
292.20016	0.2
293.21240	0.5
294.21591	0.2
295.22934	0.6
309.20673	1.0
310.21097	0.7
330.48761	0.1
398.13959	0.1
399.14185	0.2
447.22562	0.1
448.22891	0.1
469.33136	0.1
505.25955	0.1
740.44025	0.2
741.47363	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05060	0.1
59.01376	0.7
60.99302	0.1
61.98832	100.0
62.98544	0.3
69.45086	0.5
69.45519	0.3
71.01398	0.4
71.05386	0.1
85.02968	0.1
87.00893	0.1
88.98806	0.1
89.02460	0.2
98.19881	0.1
101.02482	0.2
111.08212	0.1
113.02481	0.1
151.11292	0.3
161.04607	0.1
169.10950	0.1
169.12370	1.5
171.10252	0.1
179.05585	0.1
179.14516	0.1
195.14009	0.1
196.93643	0.1
197.11894	0.3
199.13493	0.2
209.11855	0.7
210.12228	0.3
211.13411	0.4
212.13794	0.1
213.11415	0.3
227.12982	0.4
228.13362	0.1
253.09323	0.2
277.21909	0.1
291.19702	0.2
293.21255	0.7
294.21591	0.4
309.20621	0.3
310.21146	0.1
449.20453	0.1
515.33868	0.2
516.34064	0.4
517.34515	0.3
518.34875	0.3
678.15179	0.1
740.41571	0.2
741.40790	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	739.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03458	0.9
58.00599	0.5
59.01384	6.9
61.98832	7.5
69.03470	0.6
71.01386	5.5
71.70818	0.5
72.99341	0.5
73.02965	1.3
80.02692	0.9
81.03470	1.1
83.01417	0.9
83.05036	4.7
84.02178	0.7
85.02992	1.1
87.00905	1.1
89.02445	4.1
93.03467	0.4
95.01431	0.5
95.05041	0.9
96.82504	0.3
97.02963	0.5
97.06628	1.2
99.00928	0.5
101.02460	4.5
105.71368	0.3
106.14497	0.3
109.06606	0.5
109.81870	0.3
111.08195	0.7
113.02476	2.4
119.03517	0.6
121.82404	0.3
125.02469	1.2
125.06119	0.5
125.09760	0.6
135.08150	0.4
137.09755	0.6
143.03490	0.6
145.05057	0.6
145.85780	0.3
151.11319	2.4
161.04579	2.2
163.11313	3.6
165.12868	2.1
167.03479	0.3
167.10765	0.4
169.12361	14.6
170.12706	0.8
171.10332	1.7
179.05635	0.6
179.14545	0.8
181.12357	1.2
183.13942	1.2
185.11835	0.7
191.10806	0.8
193.12361	0.4
195.10127	0.6
195.13930	6.8
195.41890	0.3
196.14572	0.9
197.11858	2.7
198.71524	0.3
199.13432	1.7
205.12428	0.3
205.15994	0.4
207.10271	0.7
209.11852	100.0
210.12184	7.0
211.13416	20.5
212.13780	1.6
213.11308	1.5
220.94058	0.3
223.13412	4.7
224.13870	0.6
227.12897	15.0
228.13322	1.5
231.21222	0.4
235.08292	3.3
245.19086	0.5
253.09296	19.5
254.09622	1.0
256.13187	1.1
263.20239	0.3
275.20142	7.0
276.20480	0.9
277.21564	0.5
289.18103	1.0
291.19669	3.4
292.19876	0.5
293.21231	85.3
294.21588	9.2
307.19101	0.7
309.20737	7.5
310.21085	0.9
431.19186	1.5
445.20645	1.3
447.22412	1.1
449.20248	0.9
455.35199	0.3
463.21844	1.0
485.32687	0.8
492.22089	0.6
503.33835	0.5
529.30280	1.0
617.60858	0.4
617.71625	0.3
623.30914	0.5
628.32727	0.3
641.32104	1.5
670.34625	0.4
721.38049	0.5
739.39252	12.1
740.39587	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	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01375	4.6
61.98834	5.8
65.00319	0.2
65.56387	0.2
69.03452	0.2
71.01385	3.3
71.05032	0.3
71.71074	0.4
72.99330	0.2
73.02957	0.6
74.62715	0.2
80.02692	1.0
81.03479	1.0
83.01395	0.5
83.05036	5.0
84.02175	0.7
85.02967	1.0
86.23122	0.2
87.00887	0.6
88.98824	0.3
89.02449	2.3
95.01414	0.5
95.05051	0.6
97.02951	0.4
97.06600	0.4
99.00871	0.2
101.02460	3.2
109.06593	0.5
111.08179	0.8
113.02477	1.7
119.03526	0.8
121.10281	0.3
125.02437	1.2
125.06095	0.6
125.09747	0.3
135.08203	0.4
137.09715	0.2
137.60625	0.2
143.03543	0.3
145.05104	0.4
149.76886	0.2
151.11246	0.2
161.04591	1.5
163.11320	3.2
164.11746	0.2
165.12862	2.2
167.03569	0.6
169.12393	0.6
171.10255	1.2
177.01869	0.3
179.05679	0.5
179.14412	0.5
181.12347	0.7
183.13948	1.3
185.11971	0.3
191.10823	0.9
193.12361	0.2
195.13922	4.2
196.14638	0.2
197.11835	1.5
199.13400	0.7
202.27916	0.2
205.12347	0.3
207.10184	0.2
209.11844	100.0
210.12181	6.3
211.13406	10.8
212.13757	0.7
223.13388	3.4
224.13878	0.4
227.12903	13.1
228.13306	1.2
231.21298	0.4
235.08232	2.8
235.16998	0.8
253.09286	14.8
253.47830	0.2
254.09616	0.8
256.13113	0.5
265.21628	0.4
275.20181	5.0
275.23163	0.4
276.20599	0.7
277.21664	0.5
289.18100	0.3
291.19699	1.7
292.19977	0.2
293.21222	57.4
294.21567	6.2
305.06747	0.3
309.20694	3.2
310.21045	0.6
445.20856	1.8
447.22607	0.5
463.21857	0.4
485.32724	0.4
503.33841	0.6
529.30267	0.3
670.36176	0.5
739.40704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80176	0.3
55.01878	0.5
56.15518	0.3
57.03446	1.1
59.01381	5.3
61.98824	1.6
65.01264	0.3
66.26994	0.3
69.03460	0.5
70.57927	0.9
71.01387	5.0
71.05022	3.1
73.02953	1.2
78.95883	0.4
81.60865	0.3
83.01393	0.5
83.05028	0.6
85.02954	1.4
87.00883	0.9
89.02449	1.7
95.05022	0.3
97.02966	2.6
97.06614	1.9
99.00892	11.4
100.01197	0.5
101.02462	3.4
109.06597	0.9
110.03770	0.4
113.02464	1.3
119.03488	0.4
123.08244	1.3
125.09737	5.6
126.10059	0.3
127.11308	0.8
136.05330	0.4
142.02719	0.7
142.76189	0.3
145.05133	0.6
153.12851	0.6
155.14313	0.4
161.04651	0.4
161.09776	0.3
163.11308	6.9
165.85651	0.3
171.10394	0.7
179.10889	0.6
181.12363	11.6
182.12677	0.5
191.32500	0.3
193.42503	0.3
197.11827	1.3
199.13397	12.0
200.13771	0.5
207.10269	21.3
208.10588	1.6
225.11322	33.0
226.11678	2.5
235.08229	1.5
243.12369	5.8
244.12746	0.7
253.09271	2.7
259.20605	0.5
267.06573	0.4
277.21719	52.9
278.22083	5.3
293.21204	0.3
403.24295	0.3
419.66055	0.3
443.19162	1.0
461.20157	2.1
462.20456	0.4
469.32495	0.4
479.21225	1.1
513.18292	0.3
577.37311	0.4
711.40216	0.4
721.41809	4.3
722.42279	1.0
739.42871	100.0
740.43188	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	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01382	5.9
59.74279	0.3
61.68068	0.3
61.98839	2.6
69.03481	0.4
71.01385	5.7
71.05038	1.9
71.28470	1.0
73.02935	0.9
78.95940	0.5
80.90192	0.4
80.90602	0.4
83.01398	0.6
83.05024	1.1
84.10262	0.4
85.02956	1.7
87.00886	0.6
89.02460	3.0
90.57223	0.4
95.01432	0.6
95.05061	0.5
97.02975	3.7
97.06606	1.5
99.00897	13.9
100.01205	0.5
101.02464	4.0
105.04517	0.4
109.06609	1.3
110.03735	0.7
113.02469	1.9
119.03543	0.7
119.65283	0.3
123.08236	0.6
125.09746	5.7
127.11298	0.6
132.87325	0.4
135.08234	0.6
136.05348	0.4
142.02779	0.9
143.03607	0.4
153.12840	0.6
161.04594	0.8
161.09662	0.5
163.11313	7.7
168.05080	0.5
171.10271	1.7
179.05542	0.5
181.12375	16.0
182.12694	0.6
197.11858	1.8
199.13406	25.3
200.13792	1.4
207.10283	29.8
208.10611	1.7
211.13309	0.5
225.11333	56.3
226.11676	3.4
235.08165	0.7
243.12363	15.0
244.12662	1.0
253.09332	2.3
277.21729	31.0
278.22025	3.2
443.18753	1.1
461.20309	8.8
462.20898	0.8
479.21280	3.0
485.32571	0.8
534.43542	0.5
721.41949	3.7
722.42218	0.9
739.42896	100.0
740.43268	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03457	3.1
58.00592	1.5
59.01381	56.5
60.01707	0.5
60.99303	0.5
61.76867	0.3
61.98834	100.0
62.98554	0.4
63.99265	0.7
69.03465	1.3
71.01388	35.8
71.71229	0.5
72.01705	0.7
72.99316	2.0
73.02955	10.2
75.00885	1.2
81.03477	0.7
83.01402	7.5
84.02222	0.3
85.02962	19.6
85.32549	0.4
86.00109	0.8
87.00891	3.7
88.98808	1.9
89.02460	9.0
95.01413	4.4
97.02957	2.1
99.00906	4.2
101.02458	23.5
102.02810	0.5
111.00893	2.7
111.59470	0.3
112.01670	0.9
113.02471	18.1
114.02788	0.6
119.03518	3.1
119.04948	0.3
123.09652	0.3
124.01674	1.7
125.02463	4.2
129.01952	0.9
134.03754	1.0
135.04539	0.5
141.01981	0.5
143.03526	2.4
159.02983	2.3
160.01703	1.1
161.02530	0.7
161.04559	3.5
175.02652	0.4
175.04004	1.6
179.05598	0.4
193.05057	1.0
197.11787	0.4
199.13539	0.4
209.11815	0.8
211.13371	0.7
252.78192	0.3
267.23224	0.8
283.26361	0.9
329.30527	2.0
473.34833	2.5
491.35968	6.1
492.36435	0.7
517.18622	1.4
518.18927	0.4
527.46692	0.4
599.38232	0.5
635.40253	82.5
636.40607	19.8
653.41284	56.1
654.41602	12.6
695.42493	31.6
696.42871	8.7
739.34576	1.7
740.34808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.0
57.03458	3.8
58.00589	1.2
59.01382	65.9
61.98834	97.0
63.99256	0.6
69.03465	1.8
71.01389	43.3
72.01738	0.6
72.99318	2.0
73.02953	10.4
75.00896	0.7
78.95918	0.5
83.01398	7.0
84.02194	0.6
85.02962	21.2
86.00146	1.0
87.00880	3.7
88.98840	2.7
89.02455	10.0
95.01393	3.7
97.02989	2.2
99.00906	4.7
101.02460	27.6
102.02839	0.6
108.60426	0.5
111.00896	3.0
112.01657	1.0
113.02470	20.3
119.03494	3.5
124.01688	1.7
125.02496	5.1
129.01987	0.7
133.05864	0.6
141.02046	0.5
143.03513	2.8
159.03024	2.2
160.01709	1.0
161.04576	4.9
167.03416	0.7
175.04065	1.3
181.41309	0.5
223.13403	1.0
231.76009	0.5
267.23337	0.9
283.26428	1.8
316.86264	0.5
329.30667	2.3
473.34955	2.1
491.35977	6.9
492.36157	1.5
517.18744	2.2
517.31183	0.6
578.80383	0.6
587.37982	0.8
591.44745	0.6
599.38751	0.9
635.40259	100.0
636.40521	20.7
653.41284	63.4
654.41614	14.4
695.42432	36.4
696.42694	9.8
714.00354	0.5
739.34930	1.6
740.36041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36076	0.4
59.01370	2.1
61.98833	4.6
63.02407	0.9
65.00332	1.4
67.90530	0.3
68.17516	0.3
69.82154	2.1
73.02946	0.4
73.52713	0.3
74.80328	0.3
83.01398	1.3
83.05030	0.4
85.02959	0.8
87.00883	0.4
87.62413	0.3
88.98798	0.5
89.02466	0.7
90.14205	0.3
93.03468	1.1
99.00897	0.3
100.93489	0.3
101.02454	0.6
105.57288	0.4
107.01398	2.9
108.02164	0.3
108.24583	0.4
109.02984	0.5
111.00912	0.3
113.02431	0.4
117.03484	20.6
118.03835	1.1
119.05041	4.6
125.02451	0.6
125.32175	0.3
132.02167	1.9
133.02934	0.6
133.06610	0.4
133.91699	0.4
135.00888	1.0
145.02972	47.6
146.03320	2.5
151.00400	5.4
153.01857	0.5
157.06558	0.4
159.04500	1.0
161.02446	1.0
163.00351	2.2
163.04048	2.3
164.01164	0.6
169.01375	0.6
173.02423	0.6
173.06180	0.4
175.04015	0.4
183.04539	0.9
185.02422	0.6
185.06120	1.2
187.04027	2.6
189.05646	0.8
195.04613	0.6
196.05232	0.4
197.06000	0.4
199.03992	0.9
200.04790	0.8
201.05467	0.7
205.05023	0.4
209.00909	0.3
211.04045	2.4
212.04723	0.6
213.05582	1.0
217.05046	0.5
227.03503	40.3
228.03923	3.1
229.05052	5.8
230.05263	0.4
233.00885	0.3
239.03506	1.4
240.04039	0.5
241.05028	1.0
255.02977	78.1
256.03601	13.0
257.04523	4.0
268.17761	0.3
269.04584	0.4
283.02457	1.2
284.03250	98.7
285.03973	47.5
286.04376	3.3
327.05078	1.0
336.75262	0.4
339.04810	0.4
453.14227	0.5
575.14240	0.6
593.15088	3.6
594.16010	0.5
609.53931	0.3
619.14111	0.4
739.18958	100.0
740.19281	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62068	0.2
59.01386	1.5
61.85301	0.3
61.98836	4.3
63.02392	0.7
65.00332	1.0
70.73993	0.8
70.74326	0.3
73.02942	0.5
75.00872	0.3
77.07272	0.3
83.01396	1.2
85.02961	0.7
87.00892	0.3
89.02470	0.4
91.01860	0.3
93.03458	1.6
95.01380	0.4
101.02467	0.9
107.01394	2.8
111.00888	0.3
113.02451	0.6
117.03484	22.3
118.03795	1.0
119.05040	4.7
120.05379	0.3
121.02968	0.4
123.00863	0.3
124.85283	0.3
125.02467	1.0
132.02197	1.0
133.02948	0.6
134.03717	0.5
135.00876	1.6
135.04568	0.6
137.02501	0.6
143.04980	0.7
145.02974	49.4
146.03333	2.4
151.00380	4.9
157.06607	0.4
159.04517	1.1
161.02412	1.2
163.00385	2.0
163.04028	1.9
164.01186	1.2
164.77208	0.3
165.05515	0.4
167.04991	0.5
169.01451	1.2
169.06622	0.7
171.04578	0.5
174.03203	0.3
175.03989	0.7
178.99879	0.5
183.04526	1.1
185.02336	0.5
185.06099	1.2
187.04002	2.3
189.05455	0.6
197.06113	0.6
199.03987	1.0
201.05495	0.4
205.05095	0.6
211.03998	2.5
212.04753	1.2
213.01863	0.5
213.05576	1.4
223.05969	0.4
227.03505	42.6
228.03830	3.5
229.05074	5.3
230.05489	0.4
239.03500	1.5
240.04205	0.4
241.05077	0.9
243.02951	0.4
255.02982	79.5
256.03561	12.6
257.04544	4.1
258.04922	0.4
267.02942	0.6
283.02451	1.2
284.03259	97.5
285.03970	47.8
285.07410	0.5
286.04413	3.3
299.05685	0.5
327.05072	0.9
391.16110	0.4
453.13934	0.5
575.14026	0.8
593.15186	5.1
594.15576	0.7
739.18976	100.0
740.19226	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76327	0.9
55.01883	1.1
57.03450	2.6
59.01377	21.4
59.33533	0.7
60.99314	0.9
61.98833	100.0
62.98533	0.9
63.91094	0.7
63.99252	0.8
69.03465	1.3
71.01388	18.2
71.04255	2.1
71.04619	0.7
72.99321	1.6
73.02957	4.0
79.95756	1.2
80.96512	5.6
83.01402	2.9
85.02963	7.7
87.00881	4.3
87.04521	0.7
88.98827	1.9
89.02458	6.4
94.98082	1.0
95.01412	2.1
96.96049	1.8
97.02981	1.4
97.06594	5.1
99.00933	1.3
101.02464	11.2
103.00400	1.7
105.01945	0.8
113.02479	6.1
122.06188	2.3
123.08218	2.2
125.02499	2.0
125.09739	24.0
143.03477	1.4
145.05185	1.6
161.04622	2.4
209.11868	2.1
210.12299	1.4
211.13411	2.1
225.00829	0.8
229.14674	1.3
230.15517	2.4
232.91862	0.8
235.08246	1.5
244.17061	14.3
245.17409	1.2
270.18640	11.8
271.02344	1.0
271.18933	1.9
272.16589	0.8
288.16302	1.2
288.19736	0.9
296.16644	1.7
299.72986	0.8
314.17563	4.8
352.26587	1.9
370.27588	4.5
396.25458	4.1
396.29813	1.8
414.26544	5.7
415.26996	1.0
422.27167	3.6
432.27548	6.9
433.27969	1.1
440.28052	7.8
441.28287	1.7
458.29077	11.6
458.35059	1.0
459.29565	2.2
476.30518	2.1
491.36160	1.0
579.13446	1.5
634.39435	2.6
635.40112	4.5
652.40717	2.2
653.41663	3.1
676.37164	4.5
677.37421	0.8
694.34546	30.3
695.34186	5.5
720.24872	0.8
720.36499	4.1
738.37518	70.0
739.37946	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	738.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90245	0.7
51.98215	0.6
55.01876	0.8
57.03436	1.9
58.00589	1.0
59.01093	0.9
59.01381	15.6
60.99316	1.0
61.98834	51.0
63.99262	1.0
69.03456	0.9
69.37755	7.5
71.01389	17.0
72.99312	1.4
73.02950	3.8
81.03455	0.7
82.70779	0.6
83.01395	2.6
83.05054	1.5
85.02975	5.4
87.00882	5.2
88.98811	1.1
89.02462	4.9
94.88821	0.7
95.01405	1.9
97.02987	1.3
97.06603	3.9
99.00860	1.4
101.02461	10.2
108.04598	0.7
111.04564	0.6
113.02460	6.9
119.03541	1.0
122.06165	3.4
123.08176	2.3
125.02456	1.4
125.09747	25.9
126.10152	0.9
145.05147	2.1
146.06221	0.7
160.07767	0.9
161.04541	2.4
163.86502	0.6
166.05220	0.7
172.07614	0.6
209.11865	0.8
210.12224	0.6
211.13326	1.3
216.17548	2.0
229.14685	1.4
230.15443	2.4
235.08247	1.9
244.17055	18.5
245.17372	2.5
270.18628	12.7
271.19128	1.0
284.67963	0.6
288.15982	1.6
288.19382	1.2
296.16571	1.2
314.17712	4.6
331.85355	0.6
352.26517	1.1
370.27582	5.2
371.27859	1.1
378.24106	1.2
396.24765	4.0
396.29248	1.9
397.25595	1.1
414.26492	7.2
415.26779	1.6
422.27005	2.6
432.27585	9.4
433.27911	1.2
440.28128	7.6
441.28232	1.8
458.29163	11.6
459.29623	2.3
476.30087	3.7
477.30624	0.9
676.37378	2.9
694.34534	25.9
695.34497	6.8
720.36530	2.1
738.37244	100.0
739.37579	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
59.14158	0.1
61.98831	100.0
62.98547	0.3
62.99244	0.1
70.88441	0.2
71.01393	0.3
73.02921	0.1
75.00839	0.1
79.95712	0.1
80.96539	0.3
83.01386	0.1
85.02969	0.2
88.98797	0.3
89.02481	0.1
96.96085	0.1
100.73898	0.1
101.02491	0.1
113.02454	0.1
115.00292	0.1
121.84451	0.1
137.02502	0.1
142.99850	0.1
163.07657	0.1
173.00931	0.1
182.19319	0.1
185.45023	0.1
197.11771	0.1
205.03549	0.1
209.11855	0.4
210.12297	0.1
211.13412	0.3
223.40891	0.1
226.35522	0.1
240.16463	0.1
268.02979	0.1
269.97015	0.1
293.21252	0.1
309.20822	0.1
418.12488	0.1
469.33322	0.8
470.33548	0.1
695.41132	0.2
738.37335	0.1
739.42059	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10699	0.4
59.01370	3.3
62.32779	0.5
63.02393	0.5
65.00317	0.6
69.39407	1.2
69.39816	3.9
72.99325	1.1
79.26270	0.4
83.01371	0.9
95.66999	0.4
98.19858	1.1
102.26900	0.5
107.01392	2.3
108.02159	0.5
109.02958	1.0
116.05077	2.2
121.02993	1.7
128.05061	1.6
130.06651	0.5
131.70750	0.4
142.06650	60.1
143.07036	3.7
148.01747	0.8
151.00401	8.1
152.00682	0.5
158.06134	6.1
163.00385	2.4
169.01538	0.5
178.00253	0.4
178.99884	4.6
186.05629	26.6
187.05959	1.9
203.12930	0.5
204.06676	39.7
205.07057	3.0
211.03976	0.8
226.02773	0.8
227.03563	1.9
229.05055	0.7
239.03566	0.9
243.03018	4.2
245.04607	1.0
246.07713	31.7
247.08076	3.4
254.02374	0.9
255.02982	14.0
256.03366	1.2
257.04224	0.5
271.02472	26.2
272.02838	2.7
273.03986	0.6
283.02490	1.4
299.02100	0.7
300.02762	52.5
301.03494	39.6
302.03870	3.2
344.18063	0.5
447.09332	100.0
448.09665	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	738.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62239	0.1
59.01371	0.3
61.98833	100.0
62.98533	0.2
62.99266	0.1
71.01398	0.2
73.02948	0.1
83.05049	0.1
85.02979	0.1
89.02464	0.1
101.02493	0.2
113.02477	0.1
125.02471	0.1
152.59991	0.1
163.11342	0.1
165.12923	0.1
191.10791	0.1
195.13969	0.1
197.11798	0.1
209.11847	4.0
211.13412	0.4
225.11362	0.1
227.12834	0.4
235.08260	0.1
253.09343	0.6
253.79842	0.1
275.20248	0.1
277.21783	0.1
278.22284	0.1
279.22650	0.1
289.18552	0.1
291.19391	0.1
293.21213	1.9
309.20807	0.2
397.13898	0.1
398.14227	0.2
399.14246	0.2
400.14285	0.1
402.06577	0.1
417.15231	0.1
445.21225	0.1
485.33911	0.1
739.39301	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98832	100.0
62.98540	0.3
62.99272	0.1
63.99269	0.1
71.01375	0.2
71.05061	0.2
89.02473	0.1
98.19913	0.1
101.02460	0.2
103.70530	0.1
113.02479	0.1
125.02472	0.1
209.11870	0.2
211.13426	0.2
227.13219	0.1
243.41223	0.1
266.61829	0.1
270.85226	0.1
277.21860	0.3
278.22131	0.2
279.22580	0.1
293.21277	0.1
397.13635	0.2
398.13916	0.2
399.14066	0.2
400.14465	0.1
406.70477	0.1
416.15231	0.1
417.15112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98830	100.0
62.98526	0.3
63.51543	0.1
65.90916	0.1
71.01386	0.4
79.37199	0.1
79.95729	0.3
80.96542	0.4
87.00916	0.1
89.02466	0.2
89.92586	0.2
98.19904	0.2
101.02445	0.2
113.02467	0.3
125.02497	0.2
207.90334	0.2
209.11848	1.0
210.12193	0.1
211.13408	0.8
225.00836	0.2
253.09496	0.2
260.17575	0.1
279.23343	0.2
291.19427	0.2
292.20389	0.1
293.21451	0.4
309.20731	0.3
414.98087	0.1
469.33420	0.9
470.33737	0.1
504.10474	0.2
508.98602	0.1
657.04382	0.1
738.30682	0.2
739.42218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.00590	1.1
59.01381	17.8
60.01717	0.2
60.99308	1.5
61.98832	29.3
62.98553	0.3
63.99252	0.2
69.54215	0.3
69.54623	1.3
70.29627	0.2
71.01386	14.5
72.01743	0.3
72.99321	1.8
73.02950	0.6
79.95745	0.6
80.96516	1.2
83.01396	0.4
85.02955	2.5
86.05573	0.2
87.00876	0.9
88.98797	0.2
89.02455	13.9
94.98092	0.4
95.01405	0.8
98.20567	0.4
101.02458	5.1
109.06619	0.2
113.02463	5.3
116.92890	0.3
119.03516	4.9
119.04317	0.4
125.02444	0.5
131.03506	0.8
138.83186	0.2
142.75291	0.2
143.03537	1.3
149.04587	0.5
161.04576	1.8
163.11339	0.4
164.98650	0.2
171.10327	0.2
179.05618	5.6
197.11801	0.6
207.10280	0.6
209.11821	3.5
210.12263	0.2
211.13397	0.8
225.00659	0.4
225.11343	0.5
227.12779	0.3
235.08260	0.4
253.09248	0.5
289.18109	0.5
291.19611	1.3
292.19992	0.2
293.21265	0.5
295.20685	0.6
296.58176	0.2
307.19083	0.3
309.20566	0.8
363.26944	0.9
364.27225	0.2
391.30032	2.1
407.29437	0.4
409.31247	0.3
416.51324	0.2
421.30991	0.7
442.74231	0.2
483.34628	1.0
511.34143	1.4
512.34528	0.4
515.33740	100.0
516.34082	19.1
529.35028	0.7
557.34894	8.6
558.35150	1.4
737.30719	0.6
737.41602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
57.85106	0.3
59.01379	9.2
61.98823	0.7
65.26208	0.3
71.01383	2.3
71.71396	0.5
71.71742	0.3
72.99327	2.9
73.02969	0.6
75.00877	0.6
83.01402	0.5
85.02972	1.2
87.00907	0.7
89.02479	1.0
95.01373	0.5
99.00912	0.4
101.02458	1.2
107.01395	0.5
109.02991	0.4
111.00890	0.6
113.02488	1.0
115.07677	0.9
116.05086	4.3
117.05623	0.3
119.03504	0.4
125.02457	1.2
128.05084	1.4
130.06664	1.8
132.04552	0.6
133.02966	1.3
135.04579	2.0
140.05096	0.3
142.06644	100.0
143.06992	5.7
144.04515	0.6
145.02960	0.3
149.04555	0.4
151.00369	1.3
158.06137	12.3
159.06464	0.6
160.01660	0.4
161.02478	5.1
162.02823	1.1
163.04054	0.4
172.04047	0.6
175.04079	0.5
177.01985	0.5
178.99866	0.5
179.03476	1.2
180.03899	0.4
186.05618	47.9
187.05971	2.9
190.02907	0.3
193.01469	0.6
204.06671	72.6
205.06992	4.8
223.13434	0.3
227.03542	3.5
228.03770	0.5
246.07704	46.4
247.08064	3.9
255.00443	0.5
255.02986	6.5
256.03528	1.1
271.02536	0.4
284.03253	7.3
285.03961	2.5
286.04156	0.3
297.08273	0.5
297.11823	0.6
300.02567	0.3
341.10339	0.6
365.10590	0.4
365.14584	1.0
366.15076	0.4
395.07712	0.7
413.14603	0.8
414.14880	0.9
433.14978	0.7
447.09360	12.3
448.09552	1.4
488.02280	0.4
721.20044	1.4
738.23804	1.0
739.21533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59306	0.2
55.01876	0.4
57.03444	0.9
58.00595	0.4
59.01382	5.4
61.98833	7.5
67.01897	0.2
69.03458	3.4
71.01390	5.9
71.05028	1.2
72.99323	1.2
73.02953	1.1
74.13135	0.2
75.00883	2.8
78.95858	0.3
81.03456	0.6
83.01398	0.9
83.05037	1.1
85.02966	4.0
86.00058	0.3
87.00877	1.6
89.02457	2.1
95.01402	1.0
97.02986	0.6
97.06602	0.8
98.20657	0.6
99.00883	1.5
101.02467	3.0
109.06606	0.4
111.00915	0.3
113.02462	3.9
119.03526	0.3
122.16666	0.3
123.08176	0.7
125.09751	1.7
137.09752	0.3
143.03517	0.4
144.18881	0.3
145.05023	0.3
149.09694	0.3
151.11304	2.2
153.12880	0.9
161.04587	0.9
161.09767	2.6
163.11311	0.6
165.12842	0.3
169.12352	3.3
175.02440	0.4
179.10796	5.7
180.11176	0.4
197.11845	38.3
198.12181	2.1
199.13332	0.3
205.08987	0.3
207.10294	0.3
209.11829	6.5
210.12166	0.4
223.09776	0.9
227.12878	1.9
233.22691	0.3
235.08246	0.5
241.10852	1.4
249.06126	0.4
249.50458	0.3
253.09258	2.0
277.21735	44.1
278.22073	4.8
279.23309	1.3
363.64191	0.3
402.44739	0.3
450.11975	0.3
452.33746	0.3
459.18591	0.8
477.19540	1.4
499.34079	0.7
737.41309	100.0
738.41656	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	737.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
56.05886	0.3
57.03442	1.2
58.00592	0.4
59.01382	5.7
61.98838	3.6
63.58442	0.3
69.03461	2.9
69.47430	3.1
71.01389	5.7
71.05025	1.8
72.99317	0.5
73.02956	1.1
75.00879	0.4
78.95907	0.3
83.01403	0.7
85.02967	1.6
87.00914	0.6
89.02456	2.0
95.01392	0.8
95.05046	0.5
97.02962	0.4
97.06559	0.4
99.00914	0.7
101.02470	3.7
107.05005	0.4
113.02474	2.4
119.03506	0.6
123.08186	0.9
125.09740	1.3
151.11333	2.2
153.12839	1.7
161.04578	1.0
161.09756	2.5
162.10023	0.4
163.11293	0.4
169.12343	1.6
179.10799	6.5
197.11847	81.0
198.12196	4.4
200.45834	0.3
208.30266	0.3
209.11844	0.7
221.20227	0.4
223.09709	1.0
227.12923	1.1
231.82204	0.3
241.10814	3.2
253.09224	2.8
275.20053	0.5
277.21732	26.3
278.22064	2.5
325.02493	0.3
429.92526	0.4
433.21179	0.4
437.83850	0.3
459.18756	1.0
467.44070	0.4
477.19833	1.9
575.36230	0.5
737.41333	100.0
738.41650	26.0
756.45209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03449	2.0
58.00597	0.7
59.01381	32.1
61.98832	100.0
63.99246	0.4
68.99827	0.4
69.03449	0.5
71.01389	25.6
72.01723	0.8
72.99325	1.8
73.02951	7.2
73.22460	0.4
75.00887	0.8
79.95748	0.6
80.96526	1.9
83.01392	4.3
83.05044	0.4
85.02959	15.6
86.00124	0.3
87.00872	1.9
88.98814	1.3
89.02460	6.1
94.92195	0.3
94.98097	0.4
95.01406	3.1
96.96029	0.4
97.02979	1.0
99.00896	3.3
101.02456	15.9
102.02775	0.4
109.03035	0.4
109.06606	1.0
110.92903	0.4
111.00910	1.8
112.01704	0.6
113.02464	13.2
113.03237	0.8
116.92880	0.5
119.03544	2.0
124.01741	0.6
125.02496	2.2
129.01999	0.9
130.02321	0.4
134.03709	0.8
143.03496	1.7
151.00381	0.4
159.03062	1.2
160.01653	1.2
161.04564	3.2
171.10246	0.3
175.04077	1.7
179.05717	0.4
193.04985	0.9
209.11902	1.0
210.12199	0.3
211.13506	0.7
225.00751	0.4
265.61115	0.3
271.09729	0.3
297.28070	0.5
299.38992	0.4
304.16928	0.4
309.28088	0.5
327.29288	1.1
471.33316	6.2
472.33817	0.9
489.34293	3.8
490.34961	0.7
555.27563	0.4
597.36646	0.6
603.37451	0.4
633.38672	42.4
634.38971	8.7
651.39740	31.6
652.39978	6.6
693.40692	17.0
694.41412	3.9
737.32013	2.9
737.45044	0.9
738.32568	0.7
738.46533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.9
57.03448	4.8
58.00597	2.7
58.27324	0.5
59.01381	81.7
60.01719	1.1
60.99306	0.8
61.98833	55.9
64.62959	0.6
67.52129	0.5
69.03458	1.4
71.01389	56.3
72.01727	1.3
72.99313	3.7
73.02950	12.2
75.00887	1.4
76.95171	0.5
77.28827	0.5
79.95747	0.7
80.96542	1.8
81.03443	0.5
83.01398	8.1
85.02961	26.5
86.00137	0.8
87.00887	3.9
88.98824	2.5
89.02457	24.6
95.01408	6.8
97.02966	2.4
99.00912	6.1
101.02459	37.7
106.12270	0.6
111.00902	3.4
112.01698	1.2
113.02468	28.4
114.04432	0.5
115.04044	0.6
117.06444	0.5
119.03520	7.5
125.02475	5.8
129.01999	1.4
143.03481	3.6
149.04613	0.8
158.99142	0.5
159.02992	1.6
160.01717	0.6
161.04587	5.6
175.04033	1.1
179.05605	2.1
197.11661	0.6
209.11893	1.1
211.13496	1.3
229.91112	0.6
309.28210	0.7
327.29208	1.1
363.40036	0.6
429.47778	0.7
471.33313	6.9
472.33481	0.7
489.34308	9.9
490.34888	1.0
513.34381	0.8
597.36768	0.8
633.38696	100.0
634.39001	24.5
651.39746	78.6
652.40002	17.1
693.40881	38.9
694.41290	10.0
737.31708	2.4
738.32452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03436	1.2
58.00587	1.7
59.01385	32.5
60.01725	0.7
61.98836	4.6
65.54778	0.4
69.03455	1.4
71.01389	28.1
71.05519	0.9
72.01723	0.6
72.99311	2.7
73.02954	4.6
75.00885	0.8
81.03471	1.2
83.01409	2.5
83.05046	0.8
85.02967	5.2
87.00887	6.1
88.32680	0.4
89.00066	0.4
89.02461	22.7
91.04007	0.8
93.03469	0.5
95.01397	1.2
97.02972	5.4
99.00902	2.4
101.02458	22.3
109.02946	0.6
109.06583	1.2
111.00928	0.5
111.04465	1.0
113.02467	10.1
115.04020	0.5
119.03528	6.5
123.04543	0.5
124.01685	0.9
125.01617	0.7
125.02475	9.2
126.02859	0.5
131.03497	1.0
133.05095	0.7
139.04015	0.9
143.03532	4.4
161.04604	5.5
163.11372	0.7
167.03557	1.1
171.10225	0.4
176.89250	0.4
178.58899	0.4
179.05659	4.9
199.13394	0.5
207.10303	2.4
209.11832	6.6
211.13417	1.5
217.07143	0.7
221.06657	1.8
225.11360	1.4
227.12932	1.0
235.08255	11.6
236.08572	0.7
245.06604	0.9
253.09224	3.0
263.07745	1.0
277.09357	0.6
279.23303	79.3
280.23657	10.5
287.07745	3.0
291.19647	4.0
292.19748	0.5
293.21301	2.7
305.08850	4.0
323.09924	1.2
361.11472	0.6
362.59381	0.4
379.12634	1.0
397.13538	100.0
398.13885	9.2
415.14581	32.9
415.20425	0.6
416.14987	3.2
677.37744	3.0
737.41718	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	737.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01379	5.5
61.98833	59.5
62.98551	0.4
63.02374	0.3
63.99252	0.4
65.00327	0.4
71.01391	4.1
71.71230	0.4
72.99309	0.4
73.02959	1.0
74.70718	0.2
75.00892	0.7
80.02697	0.7
80.96554	0.3
81.03471	1.1
83.01400	1.0
83.05029	4.0
84.02191	0.8
85.02962	1.6
87.00894	1.4
88.98816	1.7
89.02448	2.1
89.39123	0.2
93.03504	0.3
95.01404	0.6
95.05074	0.5
96.11598	0.3
97.03030	0.3
99.00910	0.5
101.02464	3.0
107.01408	0.9
107.05091	0.2
109.02947	0.2
109.06566	0.3
110.69524	0.3
111.30938	0.3
113.02451	1.8
116.92879	0.2
119.03558	0.6
122.03727	0.3
124.01666	0.7
125.02491	1.4
125.09682	0.3
129.41849	0.3
133.02948	0.6
134.03745	0.5
135.08170	0.7
149.02400	0.3
149.99611	0.6
151.00407	4.2
152.01105	0.6
153.01965	1.6
159.05063	0.3
160.01703	0.8
161.02455	0.9
161.04558	1.0
163.11304	3.5
165.12880	1.7
169.01353	0.4
169.12367	3.1
171.10295	1.2
175.04022	0.7
178.99860	2.6
179.03505	0.4
179.05618	0.6
181.12379	0.4
185.11792	0.3
191.10722	0.5
193.05135	0.7
199.13353	0.3
209.11850	100.0
210.12177	6.6
211.13289	0.3
225.11320	0.3
227.12909	14.6
228.13246	1.1
231.10460	0.3
235.08220	1.9
247.13318	0.3
253.09274	4.3
254.09395	0.3
255.03093	0.4
274.04861	0.7
283.02481	0.4
284.03262	0.5
381.09735	0.7
399.10867	0.7
427.19208	0.3
445.20691	2.5
446.20938	0.5
463.21844	0.5
477.41086	0.3
517.09851	2.2
518.10559	1.8
550.09711	0.3
622.13049	0.4
633.38464	0.9
637.31970	0.7
651.39130	0.3
655.33276	0.5
659.32397	0.4
687.32355	0.7
693.40765	1.1
719.34894	1.3
734.41168	0.4
737.20337	0.6
737.33215	1.0
738.34100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
55.19497	0.2
57.03441	1.2
58.00573	0.4
59.01381	10.4
66.56612	0.2
67.01893	0.6
68.99816	0.5
69.03459	0.3
69.80093	0.6
69.80503	0.9
71.01384	8.3
71.05028	0.2
72.99303	2.4
73.02950	1.0
75.00882	9.8
83.01399	0.7
85.02961	11.2
87.00885	4.3
89.02457	2.0
93.03464	0.4
95.01410	3.2
99.00894	5.3
99.04535	0.4
100.62194	0.2
101.02432	0.6
101.06095	63.3
102.06435	1.9
103.00393	1.3
103.76250	0.2
109.02937	0.3
109.52262	0.3
111.00886	0.5
113.02466	13.7
115.00364	1.4
115.04034	0.4
117.01941	1.7
117.03517	0.4
117.05623	0.3
119.03579	0.2
125.02523	0.2
128.64140	0.2
129.01958	1.0
133.02959	2.8
134.03798	1.7
135.04543	0.9
137.02425	0.3
139.00388	0.4
143.07166	0.3
147.04538	0.4
157.01468	0.4
161.02463	14.7
161.08205	4.6
162.02820	0.9
165.05551	0.5
175.02473	1.7
179.03520	0.5
189.04037	0.4
191.05630	0.2
193.05086	1.9
203.09253	1.0
209.06732	0.4
223.08293	0.3
231.05115	1.7
249.06140	10.5
250.06407	0.7
260.99655	0.2
267.07202	2.8
268.07571	0.4
291.10995	0.4
333.11877	1.0
342.84561	0.2
351.12967	100.0
352.13309	9.2
385.11429	15.0
386.11688	2.0
519.16406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.1
59.01373	0.6
60.99321	0.1
61.98834	100.0
62.98549	0.2
62.99269	0.1
64.14219	0.1
71.01402	0.4
71.71380	0.1
72.99342	0.1
73.02956	0.1
75.00922	0.1
83.01431	0.1
83.04992	0.1
85.02981	0.2
87.00913	0.1
88.98828	0.5
89.02485	0.2
99.00863	0.1
101.02483	0.3
113.02495	0.2
118.07534	0.1
125.02508	0.2
133.02986	0.1
134.03795	0.1
134.39236	0.1
141.62758	0.1
151.00464	0.2
161.02496	0.2
175.04234	0.1
178.99878	0.1
179.03658	0.1
197.11992	0.1
207.10298	0.1
209.11819	0.4
211.13506	0.1
225.11351	0.1
227.12959	0.1
249.76273	0.1
280.19028	0.1
381.10187	0.1
383.10080	0.1
517.09674	0.1
537.47198	0.1
622.13507	0.1
628.66150	0.1
632.37109	0.1
633.38953	0.1
646.59058	0.1
668.40125	0.1
687.33545	0.2
698.32465	0.1
718.35193	0.1
719.35138	0.1
736.38452	0.1
737.20905	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13675	0.2
55.01873	0.5
57.03453	1.3
58.00593	0.4
59.01383	9.6
63.70391	0.2
64.20171	0.1
65.47380	0.2
67.01884	0.5
68.99816	0.6
69.03453	0.3
71.01388	7.6
71.71567	0.3
72.99313	2.4
73.02955	1.0
75.00883	9.5
81.03507	0.1
83.01398	0.7
84.02201	0.3
85.02960	11.0
87.00884	3.8
87.01419	0.2
87.13802	0.2
89.02448	2.2
91.04043	0.2
93.03448	0.3
95.01402	2.7
97.02927	0.2
99.00900	5.9
99.04532	0.6
101.02475	0.7
101.06097	61.0
102.06431	1.6
103.00381	1.6
111.00882	0.6
113.02466	12.9
114.02789	0.4
115.00380	1.0
115.03996	0.5
117.01968	1.7
117.03485	0.3
117.05605	0.4
123.01967	0.2
125.02497	0.2
129.01941	1.1
131.03462	0.3
131.07146	0.3
133.02986	3.4
134.03767	2.4
135.04570	0.8
137.02455	0.2
139.00372	0.3
141.95290	0.2
143.07114	0.2
147.06662	0.2
149.06059	0.3
150.03249	0.2
151.04025	0.2
157.01358	0.4
161.02463	14.6
161.08212	5.7
162.02771	0.8
165.05553	0.3
170.69958	0.2
175.02501	1.1
177.01820	0.2
179.03496	0.6
180.04144	0.2
191.05711	0.3
191.25716	0.1
193.05084	3.1
194.05475	0.3
202.51889	0.2
203.09262	1.3
205.07118	0.3
209.06689	0.8
223.08272	0.2
228.89771	0.2
231.05067	1.2
236.15430	0.2
249.06154	10.1
250.06555	0.5
258.25455	0.2
267.07214	3.3
268.07455	0.2
269.47629	0.1
290.23862	0.1
291.10892	0.5
333.11844	1.3
351.12970	100.0
352.13300	7.7
353.13779	0.2
385.11417	18.2
386.11786	1.6
387.16391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98833	100.0
62.98542	0.2
71.01385	0.9
73.02966	0.2
75.56484	0.1
77.71018	0.1
83.01410	0.1
85.02992	0.2
87.00890	0.1
88.98835	0.2
89.02438	0.4
97.02968	0.1
101.02474	0.5
109.06628	0.2
113.02489	0.3
119.03507	0.1
125.02493	0.2
125.09777	0.1
131.03462	0.1
143.03481	0.1
161.04561	0.1
163.11305	0.1
185.11885	0.1
195.13864	0.1
207.10339	0.3
209.11858	0.6
210.12262	0.1
211.13391	0.9
212.13780	0.1
225.11316	0.8
235.08296	0.2
253.09453	0.2
277.21756	0.8
278.22110	0.5
289.18051	0.8
291.19693	0.2
293.21317	0.3
298.53809	0.1
307.19016	0.1
397.13593	1.0
398.13837	0.7
399.13708	0.1
401.03940	0.1
415.14807	0.3
416.14938	0.1
461.20450	0.2
648.19666	0.1
735.47919	0.2
736.48163	0.1
737.42169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
61.98832	100.0
70.78377	0.3
70.78719	1.0
71.01380	1.3
74.82562	0.3
75.00913	0.2
83.01426	0.4
85.02987	0.3
85.03824	0.2
89.02463	0.4
101.02483	0.7
109.06641	0.3
113.02501	0.3
120.08126	0.3
125.09780	0.4
163.11305	0.3
171.10316	1.6
187.01932	0.3
190.06065	0.3
197.11893	0.3
199.09889	0.3
207.10294	0.7
209.11848	0.9
211.13408	2.7
212.13757	1.4
222.24622	0.3
236.22942	0.2
253.09505	0.6
273.35889	0.3
286.21689	0.3
291.19669	0.5
309.20767	1.1
412.47891	0.3
423.60269	0.3
491.74112	0.3
735.37390	1.6
736.38818	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	736.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
60.06096	0.1
61.98834	100.0
62.98546	0.1
63.35409	0.1
66.33906	0.1
69.03491	0.1
71.01394	1.4
72.01720	0.1
72.99317	0.1
73.02961	0.2
73.14551	0.1
77.09897	0.1
79.64439	0.1
81.03464	0.1
83.01405	0.1
85.02989	0.3
87.00896	0.2
88.98836	0.2
89.02455	1.0
89.81609	0.1
93.03420	0.1
95.01379	0.1
97.02985	0.2
98.19839	0.2
101.02462	0.8
109.06623	0.2
113.02477	0.5
115.45991	0.1
119.03538	0.2
125.02499	0.4
143.03488	0.2
161.04608	0.2
163.11386	0.1
171.10400	0.1
179.05675	0.1
189.09247	0.1
199.13507	0.1
200.08199	0.1
207.10234	0.6
209.11876	0.5
210.12274	0.1
211.13371	0.8
212.13789	0.1
225.11363	1.3
229.47639	0.1
235.08348	0.4
236.08568	0.1
253.09363	0.3
277.21716	1.3
278.22122	1.0
289.18112	0.5
291.19778	0.1
293.21249	0.6
305.08765	0.1
307.19098	0.1
309.07138	0.1
397.13535	1.9
398.13809	1.3
398.18344	0.1
399.14130	0.1
408.07559	0.1
415.14755	0.7
416.15100	0.5
461.20074	0.4
473.97430	0.1
736.48602	0.1
737.41656	0.3
749.86279	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	734.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.00592	0.7
59.01381	10.2
61.98842	1.0
69.43775	1.5
69.44198	2.7
71.01389	7.5
72.99317	5.7
73.02960	0.5
75.00878	0.9
83.01408	1.5
85.02965	1.7
87.00883	1.1
89.02448	7.5
90.28342	0.3
95.01411	0.6
99.00907	4.7
100.01689	1.8
101.02444	4.4
111.00906	6.0
113.02460	3.6
113.99604	23.2
114.97642	0.3
114.99656	0.7
115.00404	11.4
116.05083	7.3
116.92877	0.4
119.03513	3.0
123.49864	0.4
125.02489	1.4
128.01201	2.7
128.05089	4.0
129.01997	0.4
129.05457	0.4
130.06641	5.0
131.03557	0.5
132.04584	1.1
133.03001	0.4
133.05026	0.6
134.03809	0.5
139.00383	1.0
142.06645	12.2
143.03508	0.7
143.06979	0.7
144.04524	0.8
147.04533	0.5
148.35013	0.4
150.03242	0.6
151.04034	0.6
156.00671	55.9
157.01302	3.6
157.05301	0.4
158.06131	20.8
159.06465	1.2
161.02472	0.8
161.04572	0.7
165.05507	1.3
167.03496	0.4
172.04071	0.9
174.01712	100.0
175.02332	6.7
179.05649	3.9
186.03938	0.5
186.05620	10.2
187.05901	1.0
193.05132	0.5
195.06567	0.5
204.06665	58.8
205.07011	4.8
212.05594	0.5
231.13821	0.8
246.05547	0.4
246.07603	2.0
247.08107	0.5
287.16461	3.8
288.16736	0.6
294.05768	1.0
300.02448	0.5
389.90030	0.4
429.21021	2.6
455.41589	0.5
466.30362	0.4
467.22720	4.6
468.23047	0.6
469.20801	18.2
470.21252	2.1
493.20560	1.3
511.21844	8.8
512.22455	1.8
529.22766	5.0
530.23511	0.6
626.78851	0.5
734.26282	0.8
735.28680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98843	0.6
64.49730	0.3
71.01381	0.5
71.70873	0.3
71.71274	0.3
75.00869	0.7
85.02942	0.7
87.00866	0.4
99.00880	0.7
113.02466	0.8
114.93398	0.6
120.26962	0.3
132.83992	0.3
173.28094	0.2
183.69138	0.3
199.40683	0.3
202.57922	0.3
225.11446	0.5
233.87157	0.3
255.23233	1.9
256.23657	1.3
257.23849	0.5
262.53867	0.3
277.21686	3.6
295.74701	0.3
342.09991	0.3
407.32843	0.5
455.35287	100.0
456.35626	17.6
593.62244	0.3
635.06519	0.3
647.53583	0.3
689.40961	0.6
715.42139	2.1
733.43341	6.7
734.43481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03452	3.6
58.00597	0.7
58.14179	0.4
59.01381	12.4
59.90995	0.4
61.98824	2.0
63.99247	0.7
67.01897	1.1
68.99831	0.7
69.03481	0.7
70.56096	1.4
70.56519	0.8
71.01390	17.4
71.16733	0.5
72.99316	5.7
73.02953	1.4
75.00880	21.7
81.03477	1.0
83.01389	1.1
83.05037	1.7
84.02198	1.6
85.02961	23.5
86.03326	0.5
87.00880	7.6
89.02461	3.4
95.01400	6.3
99.00898	13.1
101.02433	0.8
103.00387	2.9
111.00902	0.7
113.02467	21.9
115.00404	1.9
117.01946	3.3
120.98090	0.4
125.09740	2.2
127.11304	1.9
129.01973	1.7
131.03445	0.6
143.59332	0.5
155.10776	1.3
157.01414	0.6
163.11346	1.1
165.09180	1.2
165.12914	0.8
171.10277	0.5
172.52000	0.4
175.02513	2.5
199.09685	0.6
201.11334	20.9
202.11703	1.1
205.07176	1.3
209.11844	19.3
210.12173	2.1
223.08104	0.5
227.13010	1.1
231.05067	0.9
249.05994	2.2
255.23289	97.8
256.23639	10.3
267.07117	0.5
334.54599	0.6
505.30417	1.4
689.41351	8.7
690.41711	2.2
697.41235	0.7
715.29797	0.6
715.42908	48.6
716.43268	12.5
733.43945	100.0
734.44287	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03442	2.3
58.00616	0.9
58.22913	0.8
58.45747	0.7
59.01381	36.8
61.98833	100.0
63.99269	1.0
69.03461	0.7
71.01389	26.1
71.71394	0.9
72.99337	1.5
73.02964	5.4
75.00888	1.3
81.03442	0.6
83.01405	3.2
85.02964	12.5
87.00899	2.3
87.04527	0.8
88.98834	1.5
89.02457	10.2
95.01411	1.9
97.02969	1.2
98.15113	0.6
99.00893	2.3
101.02464	15.6
103.45547	0.7
109.67989	0.7
113.02457	10.9
119.03521	4.0
120.08241	1.1
124.01685	0.8
125.02486	2.3
143.03552	1.4
160.01784	0.7
161.02509	1.0
161.04588	3.8
165.05635	0.8
171.10327	1.0
175.04050	1.3
179.05643	1.5
187.63609	0.8
209.11845	4.7
225.11319	0.6
227.13014	2.1
257.03793	0.8
293.12939	1.1
296.45157	0.7
431.40833	0.7
461.19516	1.0
467.30344	2.7
485.31418	2.3
492.21408	1.5
493.21933	0.7
527.32703	0.8
569.84674	0.8
583.25909	1.1
615.28815	1.5
629.35522	39.1
630.35803	7.8
647.36633	28.1
648.36951	5.0
689.18201	0.7
689.37762	12.0
690.38538	2.9
733.30231	3.2
758.40216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35376	0.4
53.00302	0.6
55.01874	0.8
57.03440	0.9
57.30273	0.4
58.00593	0.9
59.01380	28.7
60.01727	0.5
61.98828	6.3
67.06953	0.4
68.99841	0.7
69.03459	1.0
69.59308	4.2
71.01385	60.9
71.05019	0.7
72.01730	1.0
72.78326	0.5
72.99311	0.8
73.02943	2.0
78.95884	0.6
81.03459	1.2
83.01377	1.2
83.05032	1.6
84.02145	0.5
85.02968	2.6
87.00874	2.2
89.02453	3.7
95.01389	0.7
95.05030	1.4
97.02953	3.5
97.06597	1.0
99.00903	2.1
101.02457	6.3
107.05066	0.6
109.06603	11.4
110.03735	0.9
111.08107	0.7
111.71123	0.5
113.02486	3.1
121.06635	0.6
125.02440	1.1
125.09737	1.6
127.11260	0.5
135.08179	2.0
136.05302	1.0
137.98477	0.4
142.02722	1.3
143.03503	0.6
145.05124	1.4
155.10788	0.5
159.22539	0.4
161.04604	2.5
161.09715	0.9
163.11304	6.5
164.11743	0.6
165.12872	0.7
167.10831	0.6
167.14417	0.8
170.51141	0.5
171.10294	7.1
177.71907	0.4
179.10599	0.6
181.12369	3.5
183.13911	9.4
185.11842	2.2
189.09215	1.0
193.12381	1.9
197.11789	0.6
199.09752	1.6
199.13397	5.0
201.11284	3.2
207.10277	32.7
208.10614	2.3
209.11839	18.4
209.13387	0.4
210.12163	1.2
211.13402	100.0
212.13731	7.6
225.11320	19.8
226.11667	1.1
227.12895	18.6
228.13234	1.9
233.11507	0.6
235.08252	4.8
243.12328	1.2
249.14885	0.8
251.12941	0.6
253.09296	10.4
253.14589	0.7
263.16422	0.7
294.21704	0.5
329.24713	0.7
339.23315	1.1
357.24338	0.7
373.23837	2.0
375.25571	0.8
383.22235	3.0
391.24896	2.1
401.23309	7.8
402.23962	0.8
419.24261	3.2
443.19452	2.7
447.22318	2.5
461.20206	6.1
463.21924	2.5
464.22293	0.5
585.16779	0.5
609.33136	1.2
619.32086	0.7
637.32361	8.4
638.32837	1.7
655.33441	12.4
656.34082	4.5
673.34778	2.5
733.45319	0.8
758.57672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.8
53.24034	0.8
56.22904	0.7
57.03440	4.1
59.01380	13.8
61.98833	5.0
63.47717	0.7
65.20571	0.8
67.01886	1.2
67.50909	0.7
68.99815	1.3
69.03425	1.3
71.01385	19.3
71.35365	1.0
71.35696	1.3
72.99320	6.9
74.60124	0.7
75.00452	1.3
75.00877	21.7
78.95921	2.0
83.01377	0.9
85.02959	25.8
87.00893	8.3
89.02439	2.8
95.01389	5.9
98.19933	0.9
99.00896	12.9
103.00371	2.7
111.00918	1.3
113.01697	1.4
113.02467	26.5
115.00385	2.7
117.01938	3.6
129.01970	1.5
148.91763	0.8
175.02423	4.0
183.13908	5.6
193.03464	1.1
193.12401	2.0
197.26958	0.7
211.13406	44.1
212.13762	2.5
227.04805	0.9
249.06134	2.6
255.23288	96.0
256.23660	8.6
337.95377	0.9
475.21838	0.9
487.29016	1.7
493.22961	1.1
495.23523	1.8
505.29889	5.7
506.31009	1.4
681.42566	1.2
699.43457	60.3
700.43866	14.3
731.46033	100.0
732.46289	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42347	0.2
53.15787	0.1
59.01382	0.5
61.98833	100.0
63.37444	0.2
71.01398	0.4
71.70918	0.2
74.00253	0.1
76.09101	0.1
87.00877	0.2
88.98812	0.3
96.96037	0.5
101.02477	0.2
113.02419	0.2
126.57236	0.2
136.79410	0.2
152.99530	0.2
154.94331	0.1
170.96799	0.1
171.10216	0.2
180.57028	0.1
194.37469	0.2
201.11316	0.2
207.10374	0.2
209.11847	0.8
211.13457	0.5
223.13345	0.2
225.11320	0.2
237.20927	0.2
249.60783	0.2
253.09444	0.2
458.13101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00285	0.1
59.01371	0.2
61.98834	100.0
62.98545	0.1
62.99260	0.1
66.30424	0.1
70.26710	0.1
71.01399	0.1
85.02983	0.1
96.58598	0.1
101.02464	0.1
113.02463	0.1
120.35373	0.1
132.15881	0.1
140.97290	0.1
147.11389	0.1
153.14304	0.1
160.01750	0.1
161.02513	0.1
165.05598	0.1
199.52423	0.1
204.06709	0.1
265.10056	0.1
267.07184	0.1
338.32697	0.1
378.94641	0.1
445.07651	0.1
531.88708	0.1
613.27173	0.2
629.12915	0.1
669.40741	0.1
732.40704	0.5
733.29736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
58.00600	0.6
59.01382	8.7
61.98836	2.7
68.99799	0.8
69.03459	0.7
69.51160	4.7
71.01389	14.3
71.05028	1.0
72.99312	5.6
73.02948	1.8
75.00881	14.1
76.23087	0.5
81.03458	0.6
83.01389	1.3
85.02963	15.4
87.00889	4.3
89.02477	2.3
95.01416	4.1
97.02965	1.7
97.06584	1.1
99.00896	15.1
100.01201	0.8
103.00373	2.1
109.06596	2.1
111.00919	0.6
113.02468	13.3
114.02818	0.7
115.00411	2.5
117.01985	2.2
123.08176	0.5
123.48876	0.4
125.09770	3.2
127.04004	0.5
129.01947	1.3
130.30420	0.4
137.09738	0.5
142.02669	0.6
153.09209	0.6
157.01399	1.0
163.11293	3.7
171.10321	2.4
175.02536	2.3
179.10834	0.5
181.12355	5.3
193.03587	0.5
199.09811	3.6
199.13394	6.7
201.11340	0.9
207.10298	12.4
208.10695	0.6
215.13113	0.6
225.11333	13.8
226.11623	1.1
243.12358	3.0
249.06168	2.1
255.23305	57.6
256.23645	5.5
296.66858	0.5
299.14584	0.5
307.74030	0.5
440.98428	0.5
475.18307	0.5
505.30127	1.9
555.38788	1.8
556.38495	0.7
567.70630	0.7
669.42712	1.0
687.39740	10.7
688.40155	2.4
713.41351	23.2
714.41760	5.4
731.42419	100.0
732.42737	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68464	0.2
53.60484	0.3
55.01885	1.2
57.03457	2.6
58.00585	1.0
59.01382	15.9
59.98515	0.3
61.98834	29.1
67.01884	0.7
68.99825	1.3
69.03458	1.5
71.01389	21.3
72.98922	0.4
72.99314	5.8
73.02947	4.1
75.00880	12.9
83.01401	2.7
83.05060	0.3
84.02172	0.6
85.02962	19.9
86.00112	0.3
87.00886	5.0
88.98804	0.7
89.02455	4.9
91.04050	0.3
93.03468	0.7
95.01412	4.7
97.02980	0.5
99.00893	9.8
99.04532	0.6
101.02457	7.0
103.00401	1.2
111.00911	0.7
113.02471	15.7
114.02789	0.4
115.00393	2.0
115.03999	0.3
116.92883	0.3
117.01974	1.6
119.03496	0.7
125.02455	0.3
127.04022	0.3
129.02002	1.8
130.99864	0.3
131.03531	0.5
139.00375	0.5
150.26524	0.2
157.01416	0.9
165.05563	0.3
171.10309	0.6
175.02515	1.4
189.04094	0.4
209.11836	1.5
220.71449	0.3
225.11331	1.0
227.12775	0.4
229.36354	0.3
231.05101	1.0
249.06161	8.9
250.06541	0.6
267.07272	1.3
285.12488	0.3
299.24573	0.3
301.21854	0.6
303.23306	6.1
304.23685	1.2
319.22733	1.5
321.67181	0.3
360.31406	0.3
463.26797	0.4
481.28049	4.4
482.28369	0.7
553.30188	2.1
713.33838	1.4
731.35138	100.0
732.35480	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	730.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98835	100.0
62.05886	0.1
62.98529	0.2
62.99284	0.1
70.73133	0.3
71.01397	0.3
72.25661	0.1
72.99342	0.1
73.02952	0.1
74.29351	0.1
75.00890	0.3
80.96520	0.1
85.02961	0.3
87.00921	0.1
95.01396	0.1
99.00913	0.3
113.02447	0.4
117.01981	0.1
138.73868	0.1
157.01486	0.1
160.46519	0.1
164.12941	0.1
171.03085	0.1
171.10342	0.4
172.10686	0.1
188.00623	0.1
201.11317	0.1
225.11267	0.1
253.21884	0.1
255.23291	1.5
277.21802	0.2
278.22211	0.3
278.80276	0.1
279.22543	0.2
342.55026	0.1
364.00217	0.1
394.53226	0.1
400.81400	0.1
659.40521	0.2
713.41418	0.8
731.42999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03439	1.5
58.00579	0.4
59.01376	8.4
61.98809	1.6
63.27621	0.4
67.01880	1.0
68.30405	0.5
68.99812	1.4
69.03464	1.2
71.01384	11.1
72.99312	3.0
73.02946	1.4
75.00883	11.6
85.02965	12.9
86.03285	0.7
87.00887	3.9
89.02473	2.4
91.03994	0.9
93.03478	1.4
95.01396	3.7
99.00884	5.6
101.02435	0.8
103.00368	1.1
103.04004	0.6
109.03026	0.6
111.00881	1.3
113.02469	15.3
113.03246	1.1
115.00388	1.3
117.01974	2.3
121.02972	57.2
122.03330	2.8
129.01958	1.5
142.06662	0.8
147.04576	0.6
157.01503	1.0
167.03487	0.6
175.02440	1.8
186.05573	0.5
189.04018	1.2
204.06635	0.8
231.05106	3.5
249.06154	35.6
250.06520	2.2
350.78464	0.5
353.08929	1.1
371.09854	100.0
372.10202	12.1
373.10461	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	730.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62255	0.1
54.76212	0.1
54.76521	0.1
57.03450	0.1
59.01380	0.4
61.98833	100.0
62.98538	0.2
71.01382	0.6
72.99323	0.2
75.00890	0.7
80.96510	0.2
85.02971	0.6
87.00887	0.4
87.05375	0.1
95.01398	0.1
97.06599	0.1
98.20657	0.2
99.00890	1.1
107.15405	0.1
113.02453	0.7
125.09721	0.1
157.01459	0.2
163.11357	0.2
171.10291	0.2
175.02533	0.1
181.12395	0.3
201.11333	0.2
207.10315	0.6
225.11316	0.6
238.09171	0.1
243.12372	0.2
255.23297	2.8
505.29984	0.2
521.73346	0.1
563.40869	0.1
659.40472	0.2
701.47931	0.1
713.41327	1.1
731.42535	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	729.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01374	5.5
60.62292	0.6
61.98829	9.3
67.01888	1.1
69.03458	3.7
71.01389	9.2
71.03960	1.3
71.04305	1.0
71.05029	1.4
72.99323	4.1
75.00880	6.1
85.02955	10.0
87.00886	4.0
89.02441	1.1
95.01382	2.6
99.00902	5.7
103.00391	0.9
113.02464	7.4
115.00345	1.6
117.01920	1.2
123.08267	0.8
125.09769	1.3
151.11327	1.5
161.09717	2.8
162.09969	0.6
171.10294	1.9
175.02446	1.7
179.10832	6.4
180.11086	0.8
197.11844	28.2
198.12196	1.3
223.09747	0.9
224.78647	0.7
226.27426	0.7
234.88777	0.7
241.10817	3.2
249.06110	1.1
255.23294	41.9
256.23608	4.2
279.23346	1.2
283.85657	0.7
309.39325	0.7
315.14368	1.0
553.37366	2.6
711.40131	2.1
729.40820	100.0
730.41211	23.0
730.54535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46976	0.1
59.01381	0.5
61.98835	100.0
62.98546	0.2
62.99251	0.1
71.01392	0.5
73.02960	0.1
83.01427	0.1
85.02975	0.2
87.00903	0.1
89.02472	0.2
100.29861	0.1
101.02459	0.4
113.02495	0.2
113.27936	0.1
117.64087	0.1
119.03523	0.1
119.05120	0.1
125.02531	0.1
131.32140	0.1
136.01704	0.1
136.08200	0.0
137.02446	0.1
151.03996	0.1
151.75136	0.1
161.02512	0.1
161.04605	0.2
173.76833	0.1
181.05051	0.1
272.11984	0.1
321.15570	0.8
322.15799	0.5
387.14734	0.1
388.15039	0.1
422.06601	0.1
433.82431	0.1
524.19543	0.1
568.23383	0.2
667.39722	0.3
668.39728	0.1
730.38885	0.4
731.19049	0.2
731.39081	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	728.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66268	0.1
56.62909	0.2
59.01382	0.3
59.13042	0.1
61.98832	100.0
62.98540	0.2
71.71253	0.2
75.00906	0.2
116.92899	0.2
119.24948	0.1
146.60744	0.2
197.11893	0.3
198.12227	0.2
223.13486	0.5
224.13748	0.3
225.14198	0.2
309.20746	0.2
429.20645	0.2
480.51926	0.2
645.86090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90363	0.2
59.01384	19.2
61.98837	1.0
70.92477	0.2
71.01392	2.5
71.70933	0.2
73.02931	0.5
77.26669	0.3
78.70097	0.2
78.95905	0.2
85.02991	0.7
87.00902	0.5
89.02454	1.4
90.69067	0.3
95.01443	0.4
99.25282	0.2
101.02470	1.5
113.02479	1.0
119.03505	0.3
121.32834	0.3
125.09766	0.6
127.11316	1.0
128.11603	0.3
129.84779	0.2
143.03529	0.2
161.03377	0.2
161.04588	0.9
171.10300	86.5
172.10616	4.5
179.05670	0.3
196.56087	0.3
209.11775	0.3
213.61722	0.2
235.08255	3.4
241.62927	0.2
253.09303	7.1
254.09550	0.4
275.20255	0.2
277.21741	100.0
278.22092	9.4
278.25168	0.3
279.23361	0.3
281.24805	0.4
332.20407	0.2
407.19293	1.6
438.48572	0.2
513.30762	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	728.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
59.01383	14.1
61.98833	73.3
64.38855	1.4
71.01385	4.3
71.71935	2.2
73.02969	2.4
78.98717	1.3
79.05698	1.2
79.09364	1.2
82.03002	3.4
83.01362	1.4
85.02954	1.4
88.98827	1.3
89.02456	2.1
94.02999	39.4
96.04568	2.4
98.26567	1.1
101.02467	2.2
105.05850	1.6
108.04575	2.9
110.06131	5.7
111.00893	2.0
113.32345	1.4
116.05031	1.6
120.08216	37.3
122.06158	11.5
125.02437	2.1
135.04587	1.5
136.04036	1.6
137.02542	1.5
137.04884	1.4
138.05634	20.3
142.06651	20.6
144.04605	4.5
147.04541	11.9
148.04921	2.3
149.02513	1.5
150.03191	2.9
150.05614	1.4
152.07236	1.8
158.06116	2.8
160.01698	1.8
161.02464	5.5
162.05579	1.3
164.07202	4.1
165.05634	11.0
166.06000	1.7
174.05638	3.8
175.04013	2.4
179.03542	1.5
186.05582	8.1
187.07648	24.6
189.05565	2.2
193.05153	2.0
203.05945	5.8
204.06657	14.0
207.06694	6.2
208.07076	1.6
213.09169	2.4
215.07089	2.7
215.11858	2.3
227.03410	1.9
229.08804	2.3
229.74519	1.3
231.06729	10.3
231.10291	5.0
236.09607	3.2
237.10335	4.1
239.11812	2.2
246.07660	8.3
249.13890	1.9
250.11076	3.4
251.11858	18.3
252.12471	2.4
253.09633	2.0
257.08185	10.1
259.10703	2.0
261.12427	1.5
263.08331	4.3
263.11908	4.4
264.09070	5.4
265.09949	2.6
265.13422	5.0
266.14035	1.4
268.08517	2.0
273.07736	7.4
275.09140	4.3
276.09167	3.0
277.09796	22.5
278.10529	7.8
279.11331	5.4
281.09406	3.1
282.10007	2.1
283.10919	2.2
291.08099	2.7
291.11386	24.8
292.12119	25.7
293.12872	21.3
294.13443	3.5
303.08749	3.7
303.13300	2.1
306.10098	3.5
311.10544	1.6
317.10297	4.1
319.10818	2.3
324.11224	4.1
325.11865	2.5
333.09793	4.9
335.10455	11.0
336.11136	13.9
337.11984	6.9
343.13257	1.8
346.15771	1.5
347.11340	14.7
348.17325	1.5
350.09167	4.7
360.17139	4.6
372.17279	7.3
373.17792	1.4
374.14981	3.4
374.19150	2.2
377.12491	14.4
378.12650	1.9
388.16534	2.1
389.17477	1.9
390.18130	2.8
393.11783	3.5
402.18298	4.5
406.17578	2.1
414.18201	6.8
415.18765	4.7
418.17709	6.4
432.19189	4.9
436.18698	2.4
437.14444	9.7
438.14761	1.6
446.16751	1.5
458.17175	4.3
459.18088	6.8
460.18268	1.5
469.22681	1.3
475.25562	1.7
476.18295	13.1
476.25491	2.5
477.19016	13.1
478.19659	2.9
490.19785	4.8
508.20840	44.0
509.21274	7.4
511.23764	2.7
522.18530	7.2
529.24585	5.2
555.22491	2.3
573.23560	14.1
574.23651	3.5
587.25439	4.3
597.23755	2.5
605.26239	52.5
605.36224	2.9
606.26343	13.8
615.24652	14.4
616.25165	2.9
629.26501	3.5
633.25726	40.8
634.26123	9.8
647.27399	37.4
647.36115	1.1
648.27234	9.0
665.28375	100.0
666.28693	26.1
729.25098	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	727.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14761	0.1
58.75805	0.1
59.01387	1.1
61.98833	100.0
62.98539	0.2
71.01393	0.7
71.70604	0.1
72.99334	0.2
73.02928	0.2
75.00877	0.1
83.05042	0.1
84.00514	0.1
85.02973	0.4
88.98846	0.2
89.02464	0.4
101.02490	0.4
111.00928	0.1
113.02479	0.4
119.03531	0.3
119.05025	0.1
133.03014	0.2
135.04527	0.1
161.02480	0.4
161.04625	0.2
162.02901	0.1
163.04120	0.1
175.04041	0.1
179.05681	0.2
193.05128	0.1
209.11914	0.4
227.12790	0.1
253.09515	0.1
306.39911	0.1
350.98779	0.1
368.47687	0.1
505.34970	0.1
662.07062	0.1
667.40485	0.4
669.02472	0.1
727.32697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.9
57.33888	0.5
57.68743	0.6
58.00581	0.5
59.01386	7.3
61.98835	63.3
64.17423	0.5
71.01387	9.3
71.71373	0.8
72.99332	0.7
73.02963	1.8
75.00901	1.3
81.90183	0.5
83.01430	1.6
85.02529	0.7
85.02963	4.0
87.00896	1.4
88.98836	1.6
89.02463	2.8
91.01934	1.8
93.03484	2.4
95.01391	0.5
97.02960	0.8
99.00917	0.6
101.02450	4.6
109.02982	1.3
111.00910	2.1
113.02465	4.0
117.03499	7.9
119.01411	4.5
119.03518	0.7
119.05044	5.6
121.02978	7.1
122.03742	1.5
123.04551	1.8
124.01636	1.2
125.02486	1.4
131.03471	0.6
132.02187	1.2
133.02991	1.9
134.03745	3.4
135.04581	3.9
136.01666	0.8
137.02501	2.4
137.06139	0.6
139.00513	0.7
142.06619	0.8
145.02980	18.4
146.03326	0.7
147.00935	3.3
147.04527	3.4
149.02473	17.9
149.06119	1.1
150.03259	7.9
151.03992	1.5
152.01160	1.4
153.01962	1.1
153.05688	0.8
156.00699	1.1
158.03801	2.1
159.04533	7.5
160.01697	2.6
160.05327	20.4
160.06680	1.0
161.02475	7.1
161.06087	8.4
162.03229	1.0
163.04033	12.8
164.04820	21.5
165.01955	3.4
165.05615	3.5
167.03461	0.6
173.06114	2.6
174.01610	0.8
175.00392	30.7
175.07663	20.0
176.00958	2.5
176.04651	1.0
176.07971	0.8
177.01898	0.8
177.05606	5.9
178.02666	0.9
178.06389	5.2
179.03522	2.4
179.05774	0.7
179.07126	4.2
187.03983	0.7
189.01976	1.7
189.05594	0.7
190.02739	82.4
191.03224	6.6
191.07100	0.8
193.01424	1.4
193.05081	1.9
193.08736	2.9
194.02286	0.8
195.06645	1.5
205.05077	84.9
206.05423	7.2
208.03769	1.8
209.04475	1.8
217.01300	0.7
221.04578	0.9
223.06148	18.7
224.06462	1.2
232.03828	0.7
235.06128	1.5
247.06104	1.3
265.07172	3.5
267.06976	0.7
269.08203	2.2
283.09937	1.6
299.09192	1.6
303.53632	0.5
309.07642	0.8
311.09402	3.3
314.11636	5.2
315.12277	3.2
325.09360	1.0
326.11560	2.5
329.13950	39.0
330.07764	0.5
330.14343	4.8
337.09589	0.8
341.14014	1.9
345.09756	0.6
345.13354	3.5
352.07999	1.6
353.08862	0.8
361.16223	0.5
367.10361	100.0
368.10675	11.4
469.15359	1.6
499.16092	0.8
503.15491	0.6
504.34064	1.1
529.17633	0.9
575.25146	1.4
665.27954	0.7
667.39203	4.1
709.22906	0.8
727.26135	65.3
728.26563	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.9
57.33888	0.5
57.68743	0.6
58.00581	0.5
59.01386	7.3
61.98835	63.3
64.17423	0.5
71.01387	9.3
71.71373	0.8
72.99332	0.7
73.02963	1.8
75.00901	1.3
81.90183	0.5
83.01430	1.6
85.02529	0.7
85.02963	4.0
87.00896	1.4
88.98836	1.6
89.02463	2.8
91.01934	1.8
93.03484	2.4
95.01391	0.5
97.02960	0.8
99.00917	0.6
101.02450	4.6
109.02982	1.3
111.00910	2.1
113.02465	4.0
117.03499	7.9
119.01411	4.5
119.03518	0.7
119.05044	5.6
121.02978	7.1
122.03742	1.5
123.04551	1.8
124.01636	1.2
125.02486	1.4
131.03471	0.6
132.02187	1.2
133.02991	1.9
134.03745	3.4
135.04581	3.9
136.01666	0.8
137.02501	2.4
137.06139	0.6
139.00513	0.7
142.06619	0.8
145.02980	18.4
146.03326	0.7
147.00935	3.3
147.04527	3.4
149.02473	17.9
149.06119	1.1
150.03259	7.9
151.03992	1.5
152.01160	1.4
153.01962	1.1
153.05688	0.8
156.00699	1.1
158.03801	2.1
159.04533	7.5
160.01697	2.6
160.05327	20.4
160.06680	1.0
161.02475	7.1
161.06087	8.4
162.03229	1.0
163.04033	12.8
164.04820	21.5
165.01955	3.4
165.05615	3.5
167.03461	0.6
173.06114	2.6
174.01610	0.8
175.00392	30.7
175.07663	20.0
176.00958	2.5
176.04651	1.0
176.07971	0.8
177.01898	0.8
177.05606	5.9
178.02666	0.9
178.06389	5.2
179.03522	2.4
179.05774	0.7
179.07126	4.2
187.03983	0.7
189.01976	1.7
189.05594	0.7
190.02739	82.4
191.03224	6.6
191.07100	0.8
193.01424	1.4
193.05081	1.9
193.08736	2.9
194.02286	0.8
195.06645	1.5
205.05077	84.9
206.05423	7.2
208.03769	1.8
209.04475	1.8
217.01300	0.7
221.04578	0.9
223.06148	18.7
224.06462	1.2
232.03828	0.7
235.06128	1.5
247.06104	1.3
265.07172	3.5
267.06976	0.7
269.08203	2.2
283.09937	1.6
299.09192	1.6
303.53632	0.5
309.07642	0.8
311.09402	3.3
314.11636	5.2
315.12277	3.2
325.09360	1.0
326.11560	2.5
329.13950	39.0
330.07764	0.5
330.14343	4.8
337.09589	0.8
341.14014	1.9
345.09756	0.6
345.13354	3.5
352.07999	1.6
353.08862	0.8
361.16223	0.5
367.10361	100.0
368.10675	11.4
469.15359	1.6
499.16092	0.8
503.15491	0.6
504.34064	1.1
529.17633	0.9
575.25146	1.4
665.27954	0.7
667.39203	4.1
709.22906	0.8
727.26135	65.3
728.26563	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
57.55095	0.4
58.00594	0.6
59.01090	0.5
59.01385	9.0
61.98817	0.4
65.03994	0.3
66.56847	0.4
67.01888	0.8
67.65219	0.4
68.99815	1.3
69.03461	1.1
71.01385	10.5
72.99308	3.5
73.02934	1.1
73.27214	0.3
75.00879	10.5
81.03486	0.7
83.01402	0.9
83.05009	0.4
85.02961	12.3
87.00884	4.2
89.02471	2.2
91.04051	0.5
93.03451	0.9
95.01414	3.7
97.02974	0.7
99.00903	6.7
101.02460	0.9
103.00374	0.9
109.02992	0.5
111.00879	1.3
113.02471	11.9
114.02866	0.4
115.00364	1.4
117.01984	2.0
119.05050	1.1
121.02977	53.9
122.03300	2.6
125.02480	0.4
129.01974	1.5
133.02983	5.3
135.04550	1.7
147.04575	0.5
149.02405	0.3
151.00429	0.4
151.06021	0.4
155.72734	0.3
157.01474	0.7
161.02463	22.6
162.02792	1.2
163.04036	1.1
165.05608	0.4
166.42522	0.3
175.02516	2.4
176.28069	0.4
178.02676	0.4
179.03571	0.6
189.04054	0.8
209.06680	1.8
231.05119	3.6
249.06149	34.4
250.06477	2.0
309.16479	0.4
353.08789	0.7
355.10352	22.3
356.10532	2.2
371.09845	100.0
372.10153	10.6
487.12469	0.8
607.16669	0.5
705.00970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01377	8.1
61.98832	45.8
62.10689	0.2
69.03419	0.3
70.58393	0.6
70.58791	0.4
71.01387	2.2
72.99312	2.9
73.02964	0.6
75.00906	0.5
81.03458	1.5
83.01378	1.5
85.02958	1.3
87.00893	0.5
88.98820	0.8
89.02449	1.4
93.03469	1.6
95.01435	0.3
96.75883	0.2
99.00862	0.3
99.04576	0.3
100.19157	0.2
101.02452	1.9
102.57873	0.2
108.02191	0.4
109.03017	0.5
111.00906	1.2
113.02464	1.0
115.00407	0.3
116.05074	4.3
117.03473	0.3
119.03538	0.3
119.05027	2.1
121.02984	0.2
123.04541	6.2
125.02467	3.4
128.05096	1.5
129.01906	0.3
130.06647	1.8
132.04579	0.6
133.02986	1.1
134.03777	0.7
135.04562	1.2
137.02505	0.4
142.06642	100.0
143.06990	5.8
144.04556	0.6
145.02946	0.3
145.08701	0.3
149.02437	0.9
149.06081	0.3
150.03203	0.4
151.00475	0.6
151.03990	0.7
153.01935	0.4
153.05589	1.9
158.06139	11.6
159.06514	0.5
160.01677	0.9
161.02466	2.0
161.04591	0.7
163.04030	0.6
165.05566	1.0
167.03514	15.9
168.03838	0.8
172.03920	0.3
175.00436	0.3
175.02663	0.2
175.03937	1.4
176.01248	0.5
176.04407	0.3
177.01949	0.3
179.03484	2.1
181.05045	0.3
186.05617	42.8
187.04251	0.5
187.05963	3.1
187.07529	0.3
189.05609	0.4
190.02713	0.4
191.03520	0.9
193.05089	0.8
195.06648	0.5
204.06667	67.8
205.05005	0.7
205.06975	4.7
215.47331	0.2
233.34242	0.2
246.07701	50.1
247.08054	4.1
251.11354	0.5
273.07669	27.6
274.08038	2.6
315.10757	0.5
319.09885	0.4
319.13513	1.1
357.13248	0.5
418.15417	0.3
435.13034	4.5
436.13281	0.7
439.19656	0.6
499.16620	0.3
501.23557	0.3
558.47925	0.3
565.22906	1.7
587.24664	0.3
609.82281	0.3
627.50995	0.2
631.24170	1.0
663.27515	1.2
665.37781	0.3
666.38123	0.5
683.38611	0.5
708.23608	0.3
726.29761	0.4
727.29755	0.8
753.26477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12988	0.6
55.01875	2.0
57.03449	6.2
59.01382	33.2
65.03958	1.2
67.01899	3.8
68.99819	1.7
69.03461	9.9
70.03763	0.6
70.86136	2.4
71.01392	21.0
72.99311	2.0
73.02959	12.6
81.03467	4.1
83.01401	6.5
83.05060	3.2
85.02963	63.5
86.03326	1.5
87.00888	100.0
88.01226	1.2
89.02460	1.4
93.03486	7.1
95.01402	21.7
96.01703	1.0
97.02332	1.4
97.02967	28.1
98.20623	0.6
99.00906	2.9
99.04552	3.5
101.02453	1.8
103.04035	9.0
105.50394	0.6
105.51647	0.7
108.02180	1.4
109.02980	9.3
111.00914	7.9
111.04548	1.0
111.68064	0.7
113.02469	19.2
115.00401	10.8
115.04027	2.0
119.05101	0.8
121.02973	1.0
121.66479	0.6
123.04520	1.1
125.02455	3.0
126.72333	0.6
127.04037	19.0
129.01959	2.1
135.04498	0.9
137.02480	3.5
139.00388	14.3
139.03996	0.9
141.05618	2.0
145.05115	6.0
149.02495	1.2
151.04135	1.0
152.33875	0.7
153.01945	1.6
155.03523	2.9
157.01474	10.5
167.03514	1.6
169.05093	3.6
171.02971	2.6
173.04549	2.8
175.02502	54.5
176.02847	2.0
179.03557	0.8
181.01479	1.5
199.02504	41.0
200.02878	1.2
215.05609	0.7
217.01474	1.3
217.03549	19.8
218.04007	0.6
241.03595	1.6
257.06613	0.7
259.04691	0.6
259.08081	0.9
285.06140	2.2
301.05591	1.3
303.07230	18.3
304.07446	1.1
321.08267	6.5
322.08646	1.1
327.06979	0.8
345.08298	9.9
345.94516	0.8
346.08817	1.0
387.09314	19.6
387.13986	1.3
388.09711	1.7
405.10410	8.9
406.10596	1.0
417.10352	0.8
487.12057	0.7
563.12561	2.6
581.12970	1.1
623.14758	8.5
624.14636	1.5
667.16992	1.3
685.18726	3.5
709.18518	18.1
710.18579	4.2
727.19629	24.8
728.19934	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	725.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01381	72.4
60.01715	0.8
71.01398	2.4
72.99310	4.2
73.02960	0.5
83.01375	0.5
85.02988	0.9
87.00896	0.3
89.02464	1.0
95.01435	0.3
101.02470	1.6
109.02927	0.5
111.00822	0.3
113.02461	1.2
119.03516	0.4
119.05042	5.4
120.05335	0.4
125.02474	0.7
135.04533	0.4
137.02516	0.4
138.06877	1.1
142.06660	1.4
142.29153	0.3
143.06935	0.5
147.04544	100.0
148.04878	5.7
149.06099	0.4
150.46849	0.2
153.09254	3.1
154.87227	0.3
161.02440	0.9
161.04617	0.4
165.05591	82.4
166.05928	5.6
166.07268	0.4
167.03482	0.5
167.06000	0.3
175.04065	0.4
179.03506	0.5
186.05629	0.7
204.06673	1.0
205.01216	0.3
207.06638	61.9
208.06969	4.5
209.04640	0.3
225.14978	6.1
226.15318	0.5
246.07707	0.8
369.15027	0.5
369.19235	5.6
370.19452	0.7
387.20062	1.1
388.20502	0.3
429.21341	10.7
430.21634	1.7
485.14273	0.4
550.32013	0.3
563.23859	0.7
707.21088	0.3
725.19159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01382	13.4
61.98834	7.4
69.03468	3.0
71.01384	3.8
71.05032	0.7
71.70860	0.9
73.02964	1.0
83.05032	0.8
85.02958	0.9
87.00889	1.2
89.02448	2.3
101.02467	3.1
109.06598	0.7
111.08158	1.3
113.02469	1.4
116.92838	1.2
119.03520	1.0
121.02994	0.5
125.02469	0.7
125.09728	1.0
126.55552	0.5
130.49312	0.5
151.11385	0.6
161.04559	1.6
164.66577	0.7
165.12831	0.8
167.10803	2.7
169.12297	2.5
171.10254	1.0
173.00722	0.5
177.12868	0.7
179.10826	1.7
179.14444	3.0
195.13919	10.3
197.11847	46.4
198.12167	2.5
199.13597	0.6
205.12357	9.5
206.12762	0.6
209.11842	0.6
211.13380	1.5
223.13400	100.0
224.13728	7.1
227.12918	0.6
235.08228	4.4
253.09270	8.2
254.09560	0.6
262.93576	0.7
291.19675	6.7
309.20724	15.2
310.21094	1.7
429.26587	0.9
433.20801	2.0
441.21204	2.3
459.22342	15.6
460.22830	2.4
465.53561	0.5
647.34149	2.9
665.35474	3.5
731.27112	0.7
754.78955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01601	0.6
57.03456	0.6
59.01379	45.7
61.98835	1.7
64.45819	0.6
69.03484	0.6
71.01385	4.4
71.71733	0.7
72.99306	4.6
73.02975	0.7
83.01385	1.0
85.02967	1.8
85.06628	0.7
87.00896	0.9
88.61991	0.6
88.98853	1.7
89.02469	2.0
93.03424	0.5
95.01364	0.6
95.54211	0.5
99.00897	0.5
101.02444	2.7
111.00907	1.5
113.02477	2.5
113.06113	0.9
115.00411	1.5
119.05035	6.1
121.02974	0.7
125.02435	0.7
131.07172	7.2
133.02954	0.8
134.03738	1.0
135.04527	1.6
137.02457	0.9
142.06619	3.5
143.07045	0.5
147.04544	100.0
148.04866	5.4
149.02399	0.9
150.03256	1.5
151.04068	1.1
154.63304	0.5
160.01686	0.9
161.02486	2.7
161.04518	1.4
165.05589	88.2
166.05917	4.8
167.03503	1.1
173.08148	3.1
174.01750	0.7
174.20476	0.6
175.02519	2.3
175.04050	2.1
177.02022	0.5
179.03566	2.0
179.05710	0.8
186.05620	1.3
186.13762	0.5
191.07259	0.7
193.05138	0.9
195.06750	0.9
204.06674	2.2
207.06642	55.4
208.06992	4.0
209.04472	0.8
221.04730	0.6
239.05400	0.8
246.07768	1.3
270.06744	0.5
473.16330	1.9
485.14331	1.6
515.15442	1.6
605.18585	1.4
725.22443	2.7
726.20435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01376	7.2
60.85321	0.3
61.98825	0.5
71.01385	1.1
71.54027	0.5
72.99309	2.5
85.02976	0.4
87.00892	0.3
89.02451	0.4
95.01421	0.4
99.04543	0.4
101.02450	0.9
105.33540	0.2
107.01404	0.4
111.00877	0.5
113.02475	0.4
116.05091	3.9
117.05415	0.3
121.03027	0.4
121.72989	0.2
123.04557	0.4
125.02508	0.4
128.05086	1.1
130.06691	1.5
133.02977	0.9
135.03055	0.4
137.02432	0.5
140.05061	0.4
142.06645	100.0
143.06992	5.5
144.04610	0.8
147.04568	0.5
148.01720	0.3
149.02489	0.7
151.00409	1.2
158.06137	12.4
159.06483	0.7
161.02466	1.3
165.01927	0.7
165.05634	0.7
178.99854	0.6
186.05623	45.3
187.05977	3.3
193.05096	0.4
204.06674	72.3
205.06985	4.4
205.08710	0.6
227.03522	0.4
243.02785	1.3
246.07710	51.5
247.08058	4.0
254.02242	0.4
255.02954	3.0
256.03391	0.4
271.02484	6.7
272.02979	0.9
283.10699	0.5
285.04056	0.3
300.02753	18.0
301.03372	5.0
351.09418	0.3
389.16113	1.1
419.17203	0.6
433.07730	20.0
434.08102	2.6
477.13852	0.4
503.19354	0.6
562.16443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01379	25.2
63.02398	0.9
65.00330	0.9
69.89880	2.3
72.99319	2.5
73.02954	0.6
81.24533	0.4
83.01419	1.0
85.02961	1.3
87.00894	0.8
88.98831	0.6
89.02451	1.7
99.04626	0.4
101.02457	2.0
107.01397	2.6
109.02995	0.6
111.00870	0.7
111.27102	0.3
113.02480	1.1
117.03539	0.5
119.03539	0.5
119.05012	2.6
121.03021	0.6
123.04589	0.5
125.02502	0.8
132.02219	1.2
133.02974	0.8
134.03876	0.4
135.00916	1.2
135.04521	0.4
137.02434	0.7
142.06665	0.7
147.04543	44.4
148.04881	3.2
151.00385	3.3
151.06139	0.5
152.01120	0.4
159.04515	0.6
160.01736	0.5
161.02469	1.8
161.04581	0.5
161.05833	0.4
163.00407	1.2
163.04028	0.4
164.01140	1.1
165.05586	39.7
165.31837	0.4
166.05940	2.6
167.03593	0.7
167.05023	0.5
169.01410	0.8
174.01714	0.4
175.02507	0.7
175.03969	0.8
178.99846	1.4
179.03481	0.7
179.05611	0.5
183.04568	0.6
185.06099	0.4
187.03986	0.7
189.05496	0.4
193.04962	0.6
200.04726	0.5
201.82359	0.4
203.10876	0.4
204.06737	0.4
204.20267	0.4
207.06636	26.6
208.06897	2.4
211.04018	1.4
213.05544	0.4
227.03508	38.5
228.03860	3.7
229.05051	2.3
239.03467	0.9
239.05672	0.6
240.04100	0.4
255.02979	74.3
256.03470	9.9
257.04565	2.2
267.07294	0.4
271.02414	0.4
283.02460	1.6
283.05646	0.4
284.03256	100.0
285.03894	24.4
286.04401	1.5
309.03986	0.8
313.11771	0.6
341.13910	0.5
442.32385	0.4
473.16745	0.6
485.14038	0.7
491.19302	2.1
503.19241	2.0
515.15674	1.2
533.20209	0.7
545.22058	0.8
563.23395	4.9
564.23932	0.5
575.14337	1.4
725.19489	76.0
726.19836	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	724.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62935	0.9
57.03453	0.8
59.01378	13.0
61.14783	0.9
61.98833	100.0
65.46860	0.9
70.65479	0.8
71.01392	7.2
71.71529	1.2
72.99335	1.2
73.02981	1.5
75.00868	1.0
83.01412	1.6
83.05067	1.6
85.02976	4.4
87.00880	1.8
88.98826	2.1
89.02467	2.7
90.92352	1.0
93.03478	1.3
95.01395	1.2
99.00879	1.1
101.02444	5.1
107.03765	1.4
108.04591	1.2
110.06145	3.6
111.00887	1.4
113.02469	3.3
119.05065	4.7
120.04535	1.4
120.08184	1.6
122.06142	22.3
123.06507	1.1
125.02444	1.5
125.09690	0.9
133.02951	2.5
134.06157	4.0
135.04523	1.7
136.07724	2.2
145.02965	3.0
146.06107	1.7
150.03304	1.0
151.00400	1.3
152.02391	0.9
160.01627	1.5
160.06471	2.8
161.02487	6.2
161.04678	1.9
163.04044	1.5
163.11295	1.3
164.67484	1.1
165.05568	1.9
171.10280	1.2
174.05641	5.6
175.04062	2.5
179.03365	1.2
180.06667	2.7
186.05626	1.4
188.07204	2.0
193.05188	1.4
201.11397	4.5
202.11694	1.2
203.05887	2.0
203.11913	1.7
204.06601	1.8
205.05081	1.3
209.11873	16.3
210.12250	5.3
210.13884	1.0
213.10336	15.3
215.11903	2.7
217.01384	3.7
226.11243	1.3
227.12886	2.6
228.13205	1.6
235.08092	1.1
237.10219	1.6
239.11880	16.8
240.12320	1.3
241.13434	9.4
242.13849	1.3
249.10403	1.1
251.08284	1.7
251.11887	3.7
253.09392	2.8
261.10410	1.2
263.08212	1.9
263.11832	1.7
264.08951	4.9
265.09778	4.8
267.07153	1.2
267.11362	2.9
276.09030	2.2
277.09848	3.7
279.07974	2.1
279.11398	9.4
280.11987	2.7
281.09427	1.6
281.13089	1.4
283.10876	3.2
285.12445	39.3
286.12759	4.6
290.10501	1.6
291.07831	2.7
291.11365	6.7
292.08661	8.2
292.11798	1.7
293.09299	5.0
293.12918	5.6
294.09964	1.2
301.12006	1.8
305.09399	1.5
306.10144	3.0
307.10913	27.4
308.11588	11.0
309.12198	1.9
311.10391	2.4
322.13370	1.1
325.12283	1.1
335.10101	1.3
337.06979	4.4
339.13666	1.0
340.10684	3.3
343.13290	2.1
344.17691	1.5
350.09119	9.9
351.09860	26.7
352.10513	5.6
354.16406	1.1
355.13037	1.3
356.13974	3.5
365.11429	3.4
368.17715	1.7
369.18417	1.0
370.15598	9.2
371.16202	1.4
372.17050	1.9
383.12241	2.5
384.13132	2.3
384.17386	1.2
397.14154	1.2
398.15051	9.9
399.15369	1.8
401.16901	1.1
403.15442	2.9
404.16003	1.0
412.16571	7.3
413.17435	8.0
414.18030	1.7
429.17291	1.4
430.17783	9.5
447.17914	2.4
448.18936	5.9
451.18033	1.0
456.15610	1.9
457.11343	7.2
457.16837	1.5
474.16470	2.9
491.17072	2.1
491.24280	1.3
492.17767	11.8
501.32297	1.1
502.32022	1.3
506.19196	9.5
507.19461	1.9
511.23926	1.4
520.20734	1.8
524.20270	2.7
535.23517	4.9
536.23572	1.7
538.21930	38.5
539.22302	4.9
553.24554	19.7
554.24792	3.5
564.58215	1.0
579.22815	2.3
585.27509	4.6
597.23596	22.1
597.32367	1.9
598.23920	5.1
611.25482	3.1
629.26324	94.9
630.26660	25.1
643.27679	2.4
661.28845	93.7
662.29242	22.8
724.36157	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	724.154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29622	0.5
59.01379	6.6
61.98833	0.8
70.02711	3.0
71.01383	1.9
72.99313	3.2
85.02930	0.6
89.02428	0.5
105.92738	0.5
107.01411	0.8
108.02259	0.5
109.02959	0.5
116.05074	3.4
121.02972	1.0
125.02449	0.5
128.05084	1.5
130.06615	1.1
132.04636	0.4
134.76979	0.5
142.06645	100.0
143.07016	5.3
148.01740	0.7
149.02505	0.7
151.00389	5.0
158.06140	13.1
159.06499	0.6
159.88139	0.5
161.02420	1.2
163.00380	0.9
178.99889	2.5
179.03424	0.7
186.05623	45.7
187.04372	0.5
187.05910	2.6
204.06673	69.6
205.07016	4.8
227.03497	0.8
243.02997	5.4
244.03560	0.7
245.04555	0.6
246.07704	50.0
247.08012	4.2
254.02226	1.0
255.00488	0.9
255.02995	14.4
256.03381	1.3
271.02475	33.2
272.02863	3.9
283.02472	0.7
299.01965	0.9
300.02768	86.3
301.03387	23.6
302.03745	0.9
329.13907	0.9
377.57251	0.6
433.07764	96.5
434.08105	12.6
557.79291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4348
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01861	0.6
58.00600	0.6
59.01382	6.7
61.02716	0.3
61.73032	0.3
61.98830	4.1
63.54125	0.4
69.80872	0.3
71.01036	0.5
71.01393	5.8
71.65181	0.3
72.99292	0.6
73.02950	1.7
78.95905	0.7
83.01405	0.8
83.05015	0.7
85.02955	1.1
87.00883	1.4
89.02457	3.1
95.01393	0.6
97.02985	0.5
97.06603	1.0
99.00918	0.5
101.02455	5.6
110.65692	0.4
111.08163	1.1
113.02456	2.7
119.03508	1.0
131.11832	0.3
133.05066	0.4
139.50093	0.4
145.05070	0.7
152.99571	1.1
161.04601	1.9
163.11302	0.8
165.12871	11.1
166.13237	0.5
179.05701	0.6
183.13921	76.1
184.14218	4.7
209.11874	4.0
210.05125	0.4
227.12904	6.2
233.22685	0.6
235.08205	2.7
253.09267	6.5
254.09720	0.5
267.96530	0.4
275.20090	0.7
277.21729	100.0
278.22067	10.8
338.60803	0.4
445.20792	2.3
463.21817	2.3
469.14679	0.5
513.30359	0.6
528.19946	0.4
705.36194	0.7
723.43463	95.9
724.43787	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	723.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	55.0
58.03782	0.9
59.01378	3.7
59.20298	0.3
59.62110	0.3
60.99320	0.3
61.98828	4.4
69.36726	1.5
69.37153	2.1
71.01376	2.8
73.02959	0.6
81.03469	0.8
83.01388	0.7
83.05032	0.4
85.02950	2.2
87.00887	0.7
88.98819	2.0
89.02473	1.2
93.03463	0.5
95.01373	0.4
97.02973	0.7
99.04534	23.4
100.04884	0.5
101.02460	14.1
106.03601	0.3
107.01398	0.7
108.02278	0.3
109.02991	1.4
111.00903	2.3
112.01689	0.6
113.02470	1.2
116.92894	0.3
117.03505	0.4
119.03503	0.7
119.05040	0.6
121.02939	0.4
122.89587	0.3
123.00871	1.5
123.04549	0.7
125.02464	12.3
129.01987	0.5
133.02980	1.4
133.05098	5.2
134.03796	1.8
135.02969	0.3
135.04535	0.7
136.01736	0.3
137.02467	5.7
139.00435	0.4
139.04057	0.5
142.06641	0.4
143.03542	0.9
145.02927	0.6
147.04578	0.6
147.43375	0.4
149.02496	1.0
149.06129	0.6
150.03290	0.4
151.00394	11.4
151.04071	1.0
152.01146	1.1
152.04820	1.3
153.05493	0.5
159.04521	0.8
160.01675	1.3
161.02484	3.5
161.04555	0.6
162.03008	0.3
163.04071	0.6
164.04730	0.5
165.01936	0.5
165.05585	0.8
166.02730	39.4
167.03226	2.6
173.06079	0.3
175.03972	1.9
175.07541	0.3
177.01926	2.4
177.05602	0.3
178.02759	0.4
178.99870	0.4
179.03477	1.1
181.05081	51.0
182.05388	2.8
184.03789	0.5
185.11743	0.3
189.09235	0.4
190.02742	0.4
190.06383	1.1
191.03499	0.8
191.07103	0.4
192.04266	0.9
192.57585	0.3
193.05083	1.5
195.02956	0.4
204.06699	0.5
205.01540	0.4
205.05031	1.0
205.08734	0.6
207.06601	1.0
207.10240	0.3
217.01385	0.4
217.04968	0.4
220.07393	0.4
221.08208	0.4
235.06097	0.5
265.07181	0.4
269.08548	0.5
278.44287	0.3
283.06424	0.3
283.10025	0.4
297.11893	0.7
299.09177	0.5
300.02768	0.4
301.03430	0.3
305.08658	0.5
311.09256	0.5
314.11499	0.8
326.11484	0.6
329.10101	0.5
329.13757	2.0
337.09006	0.4
341.13858	0.9
357.09839	0.5
359.11301	1.2
369.06033	0.3
385.11404	0.3
387.10696	8.7
387.14731	1.2
388.11185	1.0
395.07639	1.2
396.07629	0.3
402.13153	5.8
403.13766	1.2
417.15558	100.0
418.15836	12.9
439.19455	0.5
497.12836	0.6
547.16803	1.5
561.19501	0.6
579.20850	0.7
597.47650	0.3
691.19202	0.9
723.22968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	55.0
58.03782	0.9
59.01378	3.7
59.20298	0.3
59.62110	0.3
60.99320	0.3
61.98828	4.4
69.36726	1.5
69.37153	2.1
71.01376	2.8
73.02959	0.6
81.03469	0.8
83.01388	0.7
83.05032	0.4
85.02950	2.2
87.00887	0.7
88.98819	2.0
89.02473	1.2
93.03463	0.5
95.01373	0.4
97.02973	0.7
99.04534	23.4
100.04884	0.5
101.02460	14.1
106.03601	0.3
107.01398	0.7
108.02278	0.3
109.02991	1.4
111.00903	2.3
112.01689	0.6
113.02470	1.2
116.92894	0.3
117.03505	0.4
119.03503	0.7
119.05040	0.6
121.02939	0.4
122.89587	0.3
123.00871	1.5
123.04549	0.7
125.02464	12.3
129.01987	0.5
133.02980	1.4
133.05098	5.2
134.03796	1.8
135.02969	0.3
135.04535	0.7
136.01736	0.3
137.02467	5.7
139.00435	0.4
139.04057	0.5
142.06641	0.4
143.03542	0.9
145.02927	0.6
147.04578	0.6
147.43375	0.4
149.02496	1.0
149.06129	0.6
150.03290	0.4
151.00394	11.4
151.04071	1.0
152.01146	1.1
152.04820	1.3
153.05493	0.5
159.04521	0.8
160.01675	1.3
161.02484	3.5
161.04555	0.6
162.03008	0.3
163.04071	0.6
164.04730	0.5
165.01936	0.5
165.05585	0.8
166.02730	39.4
167.03226	2.6
173.06079	0.3
175.03972	1.9
175.07541	0.3
177.01926	2.4
177.05602	0.3
178.02759	0.4
178.99870	0.4
179.03477	1.1
181.05081	51.0
182.05388	2.8
184.03789	0.5
185.11743	0.3
189.09235	0.4
190.02742	0.4
190.06383	1.1
191.03499	0.8
191.07103	0.4
192.04266	0.9
192.57585	0.3
193.05083	1.5
195.02956	0.4
204.06699	0.5
205.01540	0.4
205.05031	1.0
205.08734	0.6
207.06601	1.0
207.10240	0.3
217.01385	0.4
217.04968	0.4
220.07393	0.4
221.08208	0.4
235.06097	0.5
265.07181	0.4
269.08548	0.5
278.44287	0.3
283.06424	0.3
283.10025	0.4
297.11893	0.7
299.09177	0.5
300.02768	0.4
301.03430	0.3
305.08658	0.5
311.09256	0.5
314.11499	0.8
326.11484	0.6
329.10101	0.5
329.13757	2.0
337.09006	0.4
341.13858	0.9
357.09839	0.5
359.11301	1.2
369.06033	0.3
385.11404	0.3
387.10696	8.7
387.14731	1.2
388.11185	1.0
395.07639	1.2
396.07629	0.3
402.13153	5.8
403.13766	1.2
417.15558	100.0
418.15836	12.9
439.19455	0.5
497.12836	0.6
547.16803	1.5
561.19501	0.6
579.20850	0.7
597.47650	0.3
691.19202	0.9
723.22968	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	722.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.8
61.98833	87.9
71.01386	9.3
71.12127	1.5
72.99309	3.1
73.02964	0.9
75.00879	12.0
85.02957	12.3
85.51259	0.6
87.00891	3.6
89.02463	2.1
95.01407	3.8
99.00905	6.9
103.00431	1.7
113.02466	13.2
115.00396	1.2
117.01953	1.8
127.11285	1.0
129.01938	0.8
152.99767	0.7
171.10291	23.2
172.10646	1.3
175.02547	1.7
199.82700	0.6
238.00652	0.7
249.06100	1.8
255.23286	46.5
256.23523	3.5
505.29947	3.0
525.96088	0.7
659.40222	100.0
660.40436	21.4
723.41998	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	721.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
58.00600	1.2
58.25890	0.5
59.01379	100.0
60.01717	1.3
61.98832	57.4
69.03432	1.1
70.66148	0.6
71.01386	46.2
71.70920	0.7
72.01730	0.7
72.99335	2.0
73.02951	54.9
75.00873	1.4
81.03477	0.9
83.01395	19.9
85.02956	6.7
85.03365	0.6
85.67625	0.5
87.00890	2.1
89.02459	9.7
95.01413	2.2
97.02975	0.8
99.00906	0.7
100.82915	0.7
101.02457	54.2
102.02813	1.3
109.88264	0.6
113.02462	19.8
119.03526	7.2
125.02493	1.6
130.54367	0.6
131.03522	6.8
143.03520	8.3
143.04584	0.6
149.04575	10.9
155.03569	1.6
161.04576	19.7
162.04955	0.9
171.10262	1.3
183.13939	1.9
203.05675	2.8
207.10338	0.7
209.11838	14.2
209.13733	1.1
210.12175	1.1
211.13409	11.2
212.13857	1.0
221.06670	6.8
225.11385	0.7
227.12950	2.3
242.14673	0.5
253.09381	1.0
273.10629	0.7
282.06360	0.5
309.37128	0.6
331.26489	2.0
451.02838	0.8
512.60962	0.7
671.32318	0.9
703.35742	1.3
721.42065	1.3
721.63623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03410	0.6
54.62335	0.6
57.03458	1.3
59.01380	9.2
61.98516	1.5
61.98832	27.8
67.24111	0.6
71.01391	7.1
71.59928	1.1
73.02946	1.0
80.05059	0.9
83.01416	0.9
85.02956	2.3
87.00883	1.5
89.02442	2.0
97.06588	2.8
101.02465	3.8
113.02468	2.8
119.03446	0.7
123.08089	0.7
125.02470	1.3
125.09740	11.6
161.04520	0.6
181.01308	0.7
202.16069	1.1
209.11852	1.6
211.13499	0.7
212.14400	1.7
213.11555	0.7
230.15489	17.6
231.15770	1.2
248.16454	0.9
256.13266	1.2
272.20187	1.7
298.18130	8.6
299.18488	0.8
316.19199	32.5
317.19577	4.1
338.24814	2.6
356.25922	2.5
364.22794	1.8
382.23840	9.4
383.24252	1.3
400.25009	4.4
402.17215	0.7
418.25922	8.1
419.26422	1.7
424.28564	1.5
486.28641	4.5
487.28940	1.1
495.54865	0.7
501.32144	0.9
504.29288	3.0
560.32220	1.0
662.28223	0.6
722.37744	100.0
723.38153	26.0
733.61774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01384	9.8
61.98835	25.8
71.01395	8.6
71.05019	0.5
71.70293	0.8
72.99316	1.0
73.02946	1.4
78.95924	0.6
80.05067	0.6
83.01409	1.0
83.05039	0.8
84.37007	0.5
85.02965	2.3
87.00886	2.1
88.98798	0.9
89.02470	2.6
93.89964	0.6
95.01391	0.5
97.02944	0.6
97.06627	2.4
97.26392	0.6
101.02478	5.0
106.06641	0.5
107.67953	0.5
112.03221	0.5
113.02461	3.3
123.08182	1.5
125.09754	12.9
126.10035	0.6
132.02171	0.9
134.03748	1.8
145.05176	0.7
157.32445	0.5
160.01677	2.2
161.02065	0.7
161.04486	1.0
175.04059	2.8
176.04335	1.1
179.05858	0.6
187.09784	0.6
193.05064	1.2
202.16045	0.7
204.17477	0.9
209.11827	1.4
210.12347	0.6
211.13303	0.7
212.14470	2.4
213.11653	0.8
225.11436	0.7
230.13217	1.2
230.15517	19.9
231.15845	1.3
232.17047	0.6
253.09500	0.8
256.13422	0.7
270.18521	0.6
272.20325	1.3
298.18167	8.7
299.18436	1.6
316.19211	32.7
317.19534	3.7
338.24857	3.3
356.26038	3.2
364.22787	1.3
382.23984	9.4
383.24286	1.4
400.25098	4.2
418.26086	7.3
424.28729	0.9
442.29745	1.1
468.27637	1.0
474.28946	0.7
486.28677	5.6
487.29544	1.1
489.28671	1.3
504.29593	4.1
505.30405	0.9
704.36774	0.7
722.37744	100.0
723.38043	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	721.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03450	1.8
59.01381	11.3
61.98834	88.6
62.98522	0.7
63.99251	0.8
64.63795	0.5
71.01394	9.0
71.05017	3.3
71.70992	0.9
72.99308	2.1
73.02962	1.7
80.02663	1.0
80.96526	1.2
81.03486	1.7
83.01405	1.6
83.05042	3.9
84.02171	1.3
85.02951	5.3
87.00914	1.8
88.00739	0.5
88.98836	2.9
89.02467	5.5
95.01405	1.4
95.05039	1.6
97.02991	2.7
97.06609	3.0
99.00896	17.9
99.04513	0.8
100.01225	0.6
101.02464	6.9
109.06626	2.0
111.00925	1.8
113.02470	4.2
119.03534	0.9
119.05090	0.6
119.85382	0.8
121.02948	0.7
125.02480	1.2
125.06152	0.7
125.09753	6.3
129.01971	1.3
133.03014	0.7
134.03809	0.6
135.04535	1.2
135.08138	1.3
138.13425	0.6
139.04080	0.5
142.02687	1.1
145.02968	2.2
145.10324	0.7
147.04501	0.8
152.01154	0.6
160.01712	1.1
161.02490	2.4
161.04593	1.8
163.04131	0.7
163.11330	13.3
164.11638	1.1
164.98595	0.6
165.05663	0.6
165.12906	1.4
171.10287	9.3
175.03954	0.8
179.03548	0.8
179.05600	1.7
181.12360	16.5
182.12668	0.8
188.83397	0.6
193.05099	0.8
197.11929	1.7
197.87871	0.7
199.09837	0.7
199.13437	8.6
201.11327	0.8
207.10277	22.2
208.10628	1.9
209.11852	48.5
210.12187	2.7
225.11334	38.1
226.11708	2.6
227.12840	4.4
243.12367	21.9
244.12675	0.9
253.09250	2.6
264.08331	0.6
315.46539	0.5
320.70065	0.5
445.20764	0.9
461.20346	1.9
479.21329	5.0
480.21436	0.8
499.28583	0.7
515.28668	1.4
671.33087	2.7
672.33197	0.9
689.34125	100.0
690.34424	24.1
690.46295	1.0
721.37573	8.1
722.36072	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	721.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03446	2.3
59.01377	13.9
61.98829	46.6
64.59127	0.6
65.94448	0.7
68.65926	0.6
69.03495	1.1
71.01386	12.5
71.05025	3.0
71.71158	0.9
72.99316	2.3
73.01745	0.6
73.02959	2.6
75.00872	1.6
80.02679	1.1
80.96532	1.2
81.03461	1.4
83.01396	2.1
83.05022	6.7
84.02186	1.0
85.02972	5.0
87.00892	3.0
88.98816	3.0
89.02444	5.5
95.01389	1.3
95.05043	1.4
97.02976	3.8
97.06603	2.2
99.00893	15.8
100.08260	0.7
101.02459	7.8
109.06612	1.0
111.00919	1.3
113.02477	4.8
116.92876	0.8
117.82697	0.6
119.03516	1.3
119.04972	1.2
123.08209	1.5
125.02487	1.8
125.09736	7.4
126.15234	0.7
127.11322	1.3
129.01979	1.5
130.43553	0.6
133.02922	1.5
134.03722	0.9
135.04518	0.7
135.08180	1.5
142.02719	1.0
145.02951	1.1
147.08192	1.0
161.02458	4.1
161.04561	1.6
161.09708	1.0
163.11302	12.9
164.11617	1.1
165.01987	1.1
165.12885	3.3
168.78247	0.8
171.10336	2.7
173.00955	1.2
176.76053	0.7
179.05688	1.1
181.12358	17.5
182.12654	0.9
191.10876	1.3
197.11877	1.9
199.13411	22.5
200.13725	1.3
204.06569	0.8
207.10280	34.9
208.10629	2.7
209.11835	75.3
210.12250	6.3
225.00697	0.7
225.11330	58.1
226.11568	4.6
227.12895	8.5
235.08339	1.3
243.12354	17.1
244.12605	1.4
253.09270	4.2
296.27618	0.9
300.57770	0.8
312.71777	0.8
445.20786	0.8
461.20108	5.1
473.27930	1.3
474.28876	1.0
479.21271	2.2
515.28790	3.6
632.02386	0.7
653.31812	3.4
659.27283	1.5
661.36169	1.0
671.32220	5.0
672.33032	1.2
689.34094	100.0
690.34552	19.4
721.36890	51.8
722.37439	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	721.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76775	0.5
57.03441	0.8
59.01381	9.0
61.98830	3.1
65.00326	3.1
68.84813	0.5
69.03432	0.7
70.47897	1.6
70.48318	0.8
71.01389	7.1
72.99300	1.9
73.02943	3.7
75.00866	1.0
83.01397	1.9
84.95813	0.4
85.02959	2.9
85.06593	0.9
86.00070	0.6
87.00880	3.6
87.04521	0.9
89.02441	1.5
96.96026	0.6
99.00864	0.9
101.02467	2.7
101.06068	2.9
103.04010	0.6
104.08997	0.5
107.01427	3.6
109.02933	0.7
111.00887	1.1
113.02449	2.2
113.06070	0.6
115.03995	1.6
121.02959	2.2
123.04530	0.8
125.02448	4.5
131.03503	2.3
131.07170	4.8
134.03749	1.2
135.00887	1.0
135.04478	1.0
137.02438	0.9
142.06624	0.7
143.03545	2.8
145.02998	0.6
147.04570	2.5
149.02441	1.5
149.06123	0.9
150.03236	2.0
151.00389	11.2
151.03984	0.8
152.01050	0.9
153.00197	1.2
153.01874	0.6
160.01530	0.6
161.02489	2.6
163.03873	0.5
165.00224	0.9
165.01733	0.8
165.05606	4.3
167.03487	1.4
169.01422	1.6
173.08214	2.4
175.03978	1.7
177.01900	1.6
178.98077	2.1
178.99886	2.2
179.05634	0.7
179.98859	3.1
180.99677	3.2
181.05043	0.9
186.01476	0.5
193.01396	0.9
193.05020	1.7
195.06642	2.0
201.01889	0.5
204.06583	0.6
204.99579	0.9
205.07137	1.5
206.97502	1.7
207.06639	1.0
215.01630	0.7
215.03499	0.7
219.01230	0.9
223.06157	0.5
227.03554	0.7
242.00327	0.5
243.01137	1.6
243.03134	1.2
247.00624	1.9
249.06131	1.6
255.03024	1.1
259.00574	2.2
265.54495	0.5
267.06924	0.7
269.00806	1.2
271.00354	3.1
272.98569	1.0
286.01312	0.6
286.99796	3.6
288.00122	0.5
297.00296	0.6
299.02051	2.4
300.02838	3.0
305.06732	0.8
313.98895	6.3
314.99655	100.0
315.99951	10.6
333.00720	7.4
333.10178	0.5
334.00873	0.7
355.10352	2.1
363.12854	1.8
365.14453	2.1
371.09946	3.0
387.06229	0.6
395.07791	1.1
412.07965	0.6
460.36826	0.6
489.16156	1.3
523.21991	1.1
623.12433	2.8
624.12939	2.9
633.18127	1.0
641.11932	67.3
642.12231	13.7
677.17108	2.6
685.23602	1.0
721.07581	15.4
721.20465	5.5
722.07739	2.9
722.20386	1.1
736.87152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03036	0.3
55.01886	0.6
55.25006	0.3
57.03458	1.0
58.00588	0.3
59.01382	7.2
61.98831	100.0
62.98537	0.6
63.99239	0.5
69.03460	4.1
71.01389	6.8
71.05014	1.8
72.99312	0.9
73.02963	1.6
75.00891	0.8
80.02690	1.2
80.96517	0.8
81.03465	1.7
83.01389	1.2
83.05031	4.8
84.02174	1.0
85.02968	2.4
87.00874	2.2
88.98833	0.8
89.02452	3.5
95.01403	1.0
95.05054	1.2
96.96027	2.6
97.02981	1.0
97.06606	0.5
97.73579	0.3
98.19871	1.3
99.00887	1.3
101.02454	4.2
109.02959	0.4
109.06642	0.6
109.89398	0.4
111.00913	0.8
111.04509	0.4
111.08186	0.6
113.02435	3.0
116.92835	0.4
119.03530	0.8
119.05039	0.5
120.09354	0.3
123.08179	1.3
124.56512	0.4
125.02441	0.7
125.06099	0.6
125.09731	2.4
131.03537	0.5
135.08151	0.7
137.09726	0.4
143.03520	0.5
145.04918	0.4
147.11743	0.4
150.03236	0.4
151.11299	2.8
152.71269	0.3
153.12869	1.5
161.02461	0.6
161.04567	1.2
161.09721	3.3
163.11299	4.9
165.05579	0.5
165.12874	2.2
171.10332	0.6
179.10760	5.5
181.12334	0.7
191.10780	1.2
197.11841	60.2
198.12180	3.7
209.11835	58.9
210.12149	3.7
211.13438	2.0
223.09766	1.0
225.11330	0.7
227.12878	4.4
229.97397	0.4
235.08217	0.8
241.10785	3.3
249.05870	0.4
253.09221	3.1
459.18451	0.6
477.19839	1.8
625.32520	0.4
669.31543	0.5
687.32532	85.0
688.32874	14.5
719.35126	24.2
720.35883	6.0
731.18958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.3
66.88876	0.6
71.04285	0.9
71.04603	0.8
78.95933	0.6
82.02987	0.6
96.96021	1.4
96.96939	0.8
98.20598	0.7
99.92599	54.6
100.92674	2.9
100.93284	2.8
115.92097	69.2
116.92088	3.1
116.92871	4.8
117.03469	4.4
118.09221	0.6
119.05051	8.0
120.49155	0.6
121.02979	0.6
130.83833	0.6
132.92265	0.6
134.03693	0.8
145.02992	7.7
163.04082	4.2
190.53615	0.6
209.11865	0.8
234.97015	1.6
246.79887	0.7
438.56677	0.7
553.26233	3.6
554.26086	1.1
555.24957	0.7
567.24103	1.2
585.24811	0.8
617.38367	1.8
655.33893	0.7
684.27844	1.3
699.30322	12.5
700.30597	4.0
717.31226	100.0
718.31506	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73606	0.7
51.80853	0.9
59.01383	6.5
65.94554	0.8
70.27879	3.3
71.01386	5.2
72.37678	0.6
87.00893	0.8
89.02460	10.3
101.02449	3.0
107.79942	0.6
113.02460	3.1
119.03539	4.0
133.04028	0.6
143.03522	1.5
147.25784	0.8
149.74239	0.6
161.04581	1.4
165.86009	0.7
179.05623	4.3
194.93887	0.8
212.30261	0.6
215.03365	5.2
222.62080	0.7
341.10904	22.6
342.11212	1.4
377.08588	100.0
378.08911	8.0
379.84833	0.7
658.03833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.8
57.61564	0.4
59.01376	12.1
60.49586	0.5
61.98830	100.0
64.50070	0.5
66.31959	0.7
69.03458	1.3
71.01385	9.9
72.99316	1.4
73.02937	2.8
75.00870	1.3
75.44215	0.7
75.46855	0.5
78.98628	0.6
80.96521	1.4
81.03458	2.0
83.01399	2.5
83.05024	6.7
84.02184	1.6
85.02950	4.7
87.00894	2.1
88.98813	3.2
89.02431	4.5
95.01380	1.0
95.05052	1.2
97.06595	0.9
97.24974	0.6
99.00893	1.7
101.02448	7.4
106.14160	0.6
111.00891	3.4
113.02469	4.5
115.00414	0.7
116.92910	0.7
119.03521	1.5
119.05010	0.9
123.04504	0.6
125.02464	2.2
125.09755	0.9
129.90276	0.5
133.02956	0.9
133.05090	0.9
134.45280	0.5
135.04596	0.8
135.08206	1.1
137.02431	0.8
145.02945	0.6
151.11299	2.6
153.12871	1.7
154.99863	2.7
161.02448	2.5
161.04590	1.7
163.11320	5.1
164.11557	0.9
165.05606	0.8
165.12846	2.9
167.03542	0.8
169.12352	36.9
170.12755	1.9
171.10281	1.1
175.04010	0.9
179.05653	0.9
179.10811	1.1
180.55736	0.6
181.12328	1.3
181.46089	0.6
190.02765	0.7
190.48431	0.4
191.10803	1.5
193.04991	0.6
197.11845	64.1
198.12177	4.0
204.06609	0.5
209.11839	83.2
210.12196	6.0
211.13553	0.7
215.12939	0.7
218.76401	0.6
223.09772	0.7
225.00742	1.1
225.11324	0.6
227.12944	6.6
235.08260	1.3
253.09293	4.8
301.43631	0.5
408.50937	0.6
433.20450	1.0
471.25720	1.0
513.27319	0.9
687.32526	60.6
688.33014	13.4
688.44073	0.5
719.35236	70.4
720.35577	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	716.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98832	100.0
62.05879	0.1
62.98530	0.2
62.99261	0.1
63.99250	0.1
68.18530	0.0
71.01395	0.1
80.24180	0.1
85.02971	0.1
87.00897	0.2
88.54295	0.0
88.98823	0.1
89.02406	0.1
92.57074	0.1
101.02474	0.1
163.11198	0.0
209.11871	0.1
227.85970	0.1
383.27023	0.1
394.68884	0.0
414.10422	0.1
418.12732	0.1
653.42175	0.1
716.41376	0.2
717.42352	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	716.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24366	0.1
55.63962	0.1
59.01376	0.3
61.98835	100.0
62.98537	0.2
62.99264	0.1
71.01405	0.2
71.70927	0.1
87.00918	0.1
88.98843	0.1
89.02468	0.1
101.02486	0.1
107.85246	0.1
113.02494	0.1
114.17540	0.1
125.02483	0.1
171.10403	0.1
179.05493	0.1
226.53302	0.1
246.54788	0.1
255.23300	0.2
256.23730	0.2
257.24030	0.1
262.83228	0.1
397.13644	0.1
398.13977	0.2
399.14032	0.4
400.14459	0.2
417.15247	0.1
672.38593	0.2
717.24506	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	716.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77505	0.1
59.01382	0.3
61.98832	100.0
62.98532	0.2
63.99265	0.1
71.01389	0.3
71.71050	0.1
73.02950	0.1
85.02987	0.1
88.98817	0.1
89.02453	0.1
95.33679	0.1
97.75697	0.1
101.02480	0.1
113.02480	0.1
117.47640	0.1
161.04565	0.1
183.13849	0.1
189.09036	0.1
207.10449	0.1
209.11862	0.6
211.13420	0.3
225.11313	0.1
233.23517	0.1
253.09258	0.1
261.64609	0.1
382.17209	0.1
470.25885	0.1
521.65192	0.1
639.33917	0.1
653.40997	0.1
685.31073	0.1
716.41895	0.1
717.33661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75813	0.8
51.25911	0.6
51.65339	0.7
57.03428	1.9
59.01384	7.0
59.29380	0.7
59.74700	0.7
61.98821	3.1
64.84359	0.7
71.00637	0.7
71.01383	8.5
71.20903	1.8
72.99293	2.9
73.02921	0.9
75.00885	9.6
83.01386	1.0
85.02959	10.9
87.00888	3.1
89.02447	2.0
95.01398	3.4
99.00912	7.0
111.08109	1.0
113.02463	8.6
115.00367	1.5
117.01962	1.7
165.12875	4.7
175.02536	1.9
179.60097	0.7
183.13911	32.8
183.15569	1.6
184.14223	1.7
209.11815	1.5
227.12869	0.8
249.06165	1.6
255.23306	57.3
256.23672	5.3
304.05927	0.7
496.18579	0.8
505.29834	1.4
539.39355	1.8
653.42670	4.2
697.41913	2.0
715.42896	100.0
716.31116	1.5
716.43317	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	715.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45896	0.4
55.01881	0.6
57.03442	1.5
58.99736	0.4
59.01382	9.4
60.02787	0.4
60.46688	0.4
67.01868	0.7
68.99817	0.6
70.55788	0.9
70.56180	0.8
71.01385	13.0
72.99313	4.2
73.02950	1.0
75.00880	12.6
81.03463	0.6
83.01389	0.9
83.05035	1.7
84.02159	0.8
85.02965	13.4
87.00897	4.1
89.02436	1.7
95.01398	3.4
96.72202	0.5
99.00896	7.7
101.02435	0.5
103.00376	1.3
111.00864	0.6
113.02464	14.3
115.00368	1.3
117.01928	1.7
129.01950	0.7
139.97797	0.5
157.01447	0.6
163.11292	1.8
165.12820	1.2
175.02530	2.2
191.10751	0.7
209.11850	20.3
210.12155	1.5
227.12906	5.0
249.06128	1.9
255.23291	56.6
256.23593	5.3
261.57623	0.5
333.50015	0.4
459.18735	0.9
477.19962	0.5
490.08270	0.5
505.30145	2.9
697.41962	0.8
715.42926	100.0
716.43250	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73583	0.1
59.01374	0.1
61.98834	100.0
62.98533	0.2
67.99937	0.1
71.72160	0.1
74.70787	0.1
95.03165	0.1
128.34320	0.1
209.12004	0.1
255.23555	0.1
257.24081	0.1
292.67331	0.1
400.14505	0.1
742.95294	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01379	43.4
60.01703	0.5
61.98835	1.7
66.21885	0.4
67.14232	0.3
69.04244	0.4
69.40139	4.0
71.01385	2.5
72.99313	4.6
73.02947	0.7
75.23381	0.3
81.03470	0.5
83.01397	0.8
85.02977	1.5
87.00874	0.9
89.02458	1.2
98.19902	0.7
101.02451	2.3
113.02445	0.8
116.92900	0.5
119.03474	0.4
119.05040	6.1
120.05432	0.5
121.08978	0.4
123.04543	5.8
125.02430	1.0
129.01949	0.5
131.07146	0.3
134.03751	2.8
135.04564	0.6
137.02492	0.5
142.06699	0.5
147.04543	100.0
148.04878	5.9
149.02406	0.6
149.06076	0.4
150.03278	0.7
151.00311	0.6
159.02983	0.5
160.01637	0.8
161.02489	0.7
161.04663	0.7
164.07263	0.4
165.05588	87.5
166.05928	5.6
167.03514	15.6
168.03865	0.9
171.81093	0.4
175.04021	0.7
179.03496	0.7
180.04233	0.5
181.05109	0.7
186.05630	0.4
191.03526	4.5
192.03818	0.5
193.05067	3.6
198.12067	0.4
204.06755	0.6
207.06636	70.0
208.07004	4.7
209.04594	1.4
209.06683	3.8
325.11362	0.4
329.08798	7.1
330.09186	1.0
385.11276	0.9
389.12582	0.5
463.09106	0.4
519.17352	1.1
553.24292	0.6
655.27777	1.9
656.29108	0.5
660.76788	0.4
715.24078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03434	2.7
59.01377	10.3
60.66527	0.8
61.98825	2.3
69.82922	2.6
69.83338	2.4
71.01387	14.2
72.99313	5.2
73.02979	0.8
75.00886	18.1
83.01357	0.9
85.02962	16.3
87.00894	5.5
89.02454	2.7
94.43960	0.8
95.01419	4.4
97.02974	1.7
99.00890	13.1
102.99400	1.0
103.00362	2.2
111.00908	1.6
113.02468	16.3
114.02751	0.9
115.00385	1.4
117.01945	2.0
119.20411	1.0
129.01936	1.3
142.02742	1.2
157.20845	0.8
163.11305	2.1
175.02492	3.1
181.12349	7.1
207.10281	14.9
208.10617	0.8
225.11349	21.8
226.11765	1.4
249.06235	2.5
255.23300	68.4
256.23645	6.7
277.21774	1.3
288.10602	0.9
357.19547	0.9
457.17023	1.3
505.30194	3.2
669.42316	5.1
670.42657	2.2
695.40643	1.1
705.52136	0.9
713.41382	100.0
714.41724	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98832	100.0
69.66560	0.7
71.01395	0.4
75.00870	0.1
75.94134	0.1
85.02946	0.1
89.02440	0.2
101.02464	0.2
113.02498	0.1
156.51494	0.1
187.53189	0.1
331.08905	0.1
611.34808	0.3
629.35895	0.1
651.40063	0.3
708.01617	0.1
714.40063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.8
65.00320	0.5
69.54922	0.4
70.42258	1.2
70.42672	0.9
72.99314	1.4
83.01383	0.4
84.86506	0.4
94.77189	0.4
107.01402	1.3
109.02921	0.9
119.05048	2.3
121.02954	1.1
147.04543	45.9
148.01660	0.8
148.04913	2.2
151.00386	7.3
161.02510	0.5
163.00386	1.5
164.01147	0.5
165.05588	39.5
166.05904	1.9
178.99858	3.0
190.99913	0.4
197.14520	0.4
207.06635	32.5
208.06990	1.6
211.03970	0.5
215.03465	0.4
226.02682	0.4
227.03439	1.4
243.02963	5.0
245.04523	0.8
254.02165	1.5
255.02971	13.3
255.05670	0.7
256.03397	0.9
267.39423	0.5
271.02475	27.9
272.02887	3.6
283.02435	1.1
300.02753	68.4
301.03467	36.9
302.03900	2.6
463.08817	100.0
464.09140	11.6
486.85654	0.5
534.22150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23674	1.6
59.01375	6.7
60.99303	4.8
61.98834	100.0
71.01378	3.6
71.63027	3.2
79.95749	2.1
87.00892	2.1
88.98814	26.3
89.02449	6.8
101.02442	5.3
116.92867	3.0
119.03516	2.1
119.42277	1.7
125.02512	2.5
148.23419	1.5
161.04633	2.5
171.10231	1.6
175.55257	1.7
179.05714	2.0
191.48351	1.6
193.04526	1.6
213.69962	1.7
279.23315	16.3
280.23596	1.7
397.13477	34.7
398.13870	3.4
415.14520	8.9
416.14453	2.1
533.34698	3.5
713.35449	24.3
714.35968	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	713.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03447	1.0
58.00583	1.5
59.01384	25.6
59.45034	0.4
61.98834	2.4
64.66665	0.3
68.99812	0.4
69.03462	1.0
71.01390	26.1
71.28120	0.5
71.28471	0.8
72.01736	0.4
72.99310	1.8
73.02956	3.6
75.00900	0.7
81.03455	1.1
83.01388	2.9
85.02957	5.9
87.00889	5.0
89.02457	21.8
90.02789	0.5
90.31136	0.4
91.04019	0.5
93.03422	0.5
95.01405	1.5
95.40754	0.4
97.02966	3.8
99.00896	1.7
101.02457	20.9
102.02827	0.8
109.02957	0.7
111.00888	0.7
111.04504	0.7
113.02470	9.1
116.92873	1.1
119.03522	5.2
121.02965	0.6
125.02466	9.2
127.04049	0.7
131.03534	1.0
133.05066	0.9
134.16066	0.4
139.03990	0.9
143.03529	3.9
146.92111	0.4
149.04555	0.8
161.04581	3.8
167.03537	0.6
179.05621	3.9
217.07147	0.4
221.06682	1.9
235.08226	10.8
245.06627	0.5
253.09351	1.4
255.23288	70.3
256.23602	6.6
263.07922	0.9
264.74731	0.4
287.07767	3.5
305.08798	4.4
323.09848	1.6
397.13531	100.0
398.13864	9.2
415.14560	31.2
415.20328	0.5
416.14960	2.1
462.25821	0.5
473.04880	0.4
568.48529	0.4
589.56445	0.4
653.37787	6.0
654.37830	1.2
654.57672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01920	0.1
57.03449	0.1
59.01377	1.1
59.90769	0.1
61.98833	100.0
62.05867	0.1
62.98540	0.3
65.81149	0.1
70.28454	0.4
71.01395	0.6
71.15300	0.1
72.99342	0.1
73.02948	0.2
75.00872	0.2
80.96532	0.1
85.02947	0.5
88.98834	0.3
89.02450	0.3
99.00909	0.1
101.02479	0.5
111.00916	0.3
113.02448	0.2
116.92885	0.1
119.03497	0.1
119.05046	0.1
125.02494	0.2
129.01921	0.2
133.02965	0.3
134.03796	0.1
135.04581	0.2
137.02466	0.2
145.03040	0.2
149.02492	0.2
150.03284	0.2
155.08788	0.1
160.01732	0.3
161.02481	0.7
163.04021	0.1
165.05609	0.3
175.04066	0.3
179.03532	0.1
191.03482	0.1
193.05067	0.1
195.06686	0.1
291.15436	0.1
312.83182	0.1
351.48810	0.1
385.68887	0.1
544.21307	0.1
621.20795	0.1
669.32031	0.1
706.64227	0.1
713.32166	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03442	0.6
59.01377	3.9
60.79903	0.2
61.98830	0.7
69.45863	1.3
69.46289	1.2
71.01389	4.3
72.99300	0.6
73.02949	1.0
75.00886	0.3
77.41792	0.2
83.01405	0.7
85.02962	2.2
87.00882	0.5
89.02445	1.3
95.01387	0.5
98.20660	0.5
99.00900	0.4
101.02454	2.9
105.03513	0.4
113.02485	2.0
116.92876	0.9
117.03488	1.6
117.92892	0.4
118.92693	0.3
119.03463	0.4
121.02941	0.6
123.04575	0.5
125.02482	0.4
129.01906	0.3
132.02184	1.9
133.02975	35.2
134.03726	1.2
135.04546	10.9
136.04900	0.6
137.02403	0.3
142.06671	2.9
143.06972	0.5
160.01620	0.3
161.02463	100.0
162.02800	5.7
163.04036	0.3
165.05533	0.5
175.04025	0.4
177.05728	0.4
179.03513	6.2
179.05252	0.4
179.05579	0.3
180.03838	0.3
186.05562	1.2
191.03416	0.5
193.01434	0.2
193.05035	0.3
193.78773	0.2
195.06479	0.2
204.06665	2.0
205.07027	0.3
221.08185	0.3
223.06209	0.3
237.94302	0.2
246.07570	1.2
265.07159	0.7
323.07922	0.4
341.37958	0.4
387.10959	0.4
488.12552	0.3
533.24402	0.3
551.24872	1.7
713.30469	58.6
714.30756	15.9
715.85577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00597	0.7
59.01378	7.8
60.01705	0.3
61.34487	0.3
61.98831	16.2
63.56725	0.3
67.01894	0.3
71.01386	5.4
71.13512	0.5
72.99318	0.6
73.02939	0.7
75.00856	0.3
77.04015	0.3
83.01396	0.8
85.02964	1.8
87.00879	0.7
88.98791	0.5
89.02454	3.1
89.03986	0.4
93.03452	0.6
95.01408	0.5
99.00910	0.6
101.02448	3.4
105.03493	0.9
107.05122	0.3
108.02228	0.3
109.03002	0.5
111.00865	1.6
113.02463	2.0
116.92883	0.4
117.03489	2.1
119.03525	1.0
119.05058	0.7
121.03016	0.7
123.04543	1.0
125.02477	1.2
132.02176	4.7
133.02975	46.3
134.03847	2.9
135.04539	20.9
135.05608	0.4
136.01703	0.4
136.04860	1.0
137.02454	2.2
139.04027	0.4
143.03571	0.4
145.02963	1.3
147.04526	0.8
148.05322	0.6
149.02448	1.1
149.06116	2.7
150.03244	1.2
151.03952	0.3
152.01077	0.3
153.01962	0.8
157.08694	0.3
159.04498	0.4
160.01682	4.0
161.02461	100.0
162.02779	5.1
163.04063	1.2
164.04802	0.6
165.05573	1.5
167.03465	0.5
175.00462	0.7
175.02499	0.5
175.04028	6.8
176.01144	0.7
176.04636	1.0
177.01866	0.5
177.05612	3.9
178.02686	0.8
179.03516	17.3
180.03915	1.1
181.05099	0.5
187.03976	0.8
188.04826	0.6
189.05519	0.4
190.02759	2.2
190.06276	0.4
191.03474	1.2
191.07082	1.1
193.05052	2.6
194.05550	0.3
195.06619	0.7
203.03517	0.6
203.07150	0.3
203.49774	0.3
205.05066	2.5
206.05611	0.4
219.13939	0.4
220.03822	0.3
220.07448	0.5
221.04576	7.7
221.07971	0.5
223.06111	0.8
235.06120	2.1
251.05620	6.5
261.05957	0.3
265.07275	0.9
281.06644	10.3
282.07007	0.8
285.03857	0.3
295.08267	1.0
311.09412	0.5
312.09924	0.3
316.03503	0.3
323.08002	0.4
327.12460	0.8
341.08743	8.2
342.09222	0.7
357.13586	0.6
367.09583	0.3
477.17767	1.1
519.18781	0.6
537.19757	1.7
551.20825	0.7
560.26398	0.5
599.90552	0.3
665.22540	0.4
683.23767	1.5
695.23480	1.2
713.24646	48.8
714.24988	14.0
714.37952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.1
59.01384	1.6
61.98834	100.0
62.98535	0.3
71.01388	1.5
71.70543	0.1
72.99335	0.2
73.02955	0.2
83.01429	0.2
85.02964	0.4
85.05866	0.1
87.00899	0.1
89.02459	1.0
92.32778	0.1
95.01417	0.2
95.40163	0.1
101.02455	0.9
102.04138	0.1
111.00974	0.1
113.02451	0.6
119.03528	0.5
131.19029	0.1
143.03609	0.1
160.01767	0.1
161.02483	0.2
161.04604	0.3
167.03612	0.1
179.05682	0.2
187.86388	0.1
209.11864	0.2
214.75781	0.1
231.20187	0.1
233.48689	0.1
235.93649	0.1
237.89700	0.1
339.98752	0.1
357.77100	0.1
491.36115	0.1
608.37561	0.1
626.37854	0.1
635.30707	0.1
651.40906	0.1
652.41406	0.2
653.41412	2.5
712.34070	0.1
713.35266	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03454	5.1
58.00580	0.5
59.01380	4.2
61.98840	0.4
67.01873	0.3
68.99822	0.4
69.03451	0.3
71.01392	2.8
71.20181	0.2
71.70744	0.3
72.99305	0.7
73.02959	0.5
75.00900	0.3
83.01388	1.4
84.01756	0.3
84.02166	1.3
85.02960	14.7
87.00890	6.2
87.04564	0.3
89.02445	1.7
93.03477	0.3
96.96011	0.5
97.02965	0.7
98.87840	0.3
99.00895	1.6
101.02460	1.5
106.57845	0.3
108.02177	0.3
108.04572	0.7
111.00903	2.4
113.02448	0.9
116.92877	1.7
119.03483	0.3
119.05041	1.4
121.02988	0.6
123.04486	0.4
129.01961	13.1
133.02977	2.3
133.56552	0.3
134.03786	1.3
135.04543	12.2
136.04915	0.6
137.02429	0.6
141.01950	1.1
147.04568	0.4
149.02440	0.6
149.06117	0.4
150.03207	0.3
150.05608	0.5
151.04019	0.3
159.03036	3.2
159.04330	0.5
161.02461	5.3
161.08168	0.3
162.02811	0.5
163.04013	0.7
164.04730	0.3
165.05646	0.8
175.02498	0.5
175.03983	0.3
177.01947	0.6
177.05577	0.7
179.03525	9.2
179.05121	0.4
180.03833	0.6
181.05116	0.9
191.05594	0.4
193.05035	0.6
207.06744	0.3
209.06682	100.0
210.07008	4.6
221.04681	0.6
223.06189	0.6
235.06171	0.4
251.05540	0.7
281.06747	1.4
341.08911	1.1
371.09839	32.5
372.10193	4.2
502.67361	0.3
549.16547	0.3
595.16791	0.6
713.20435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26519	0.1
57.20205	0.1
59.01378	1.1
61.98831	100.0
62.98541	0.2
68.28518	0.1
70.95530	0.1
71.01391	0.4
75.00883	0.1
85.02994	0.1
87.00903	0.1
89.02457	0.1
101.02485	0.2
113.02460	0.2
148.93179	0.1
185.11929	0.1
209.11925	0.1
211.13548	0.1
230.19894	0.1
247.13623	0.1
309.11795	0.1
326.51624	0.1
347.28271	0.1
361.83569	0.1
392.55658	0.1
416.31311	0.1
469.33313	0.3
471.35257	0.1
485.32538	0.2
576.45508	0.1
579.18866	0.1
647.38104	0.2
710.38110	0.1
711.35754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46342	0.4
59.01379	43.5
61.98824	0.5
62.52346	0.4
66.99831	0.4
67.01897	0.6
71.01386	1.8
71.71793	0.5
71.72230	0.7
72.99310	4.6
83.01398	0.6
85.02976	2.0
87.00817	0.5
88.30483	0.4
89.02477	1.4
99.04568	0.8
101.02449	1.3
109.03023	0.6
111.00894	14.1
113.02479	1.2
115.00423	0.6
116.92904	0.6
117.03587	0.5
117.05624	0.5
119.05047	5.6
121.02962	0.9
129.01979	0.6
133.02977	7.2
134.03711	0.5
135.04568	2.9
147.04544	100.0
148.04872	5.2
149.02547	0.6
149.06131	0.8
151.00443	0.8
155.25905	0.6
161.02466	31.5
161.08199	3.6
162.02792	1.9
165.05588	85.0
166.05917	5.0
175.02446	0.7
177.01962	0.8
179.03520	3.0
193.05069	0.5
203.09279	0.8
206.08330	0.8
207.06636	71.4
208.06992	5.0
217.10893	0.5
223.06174	0.7
243.03201	0.5
271.02509	6.8
299.01984	10.9
300.02472	2.7
301.03519	4.1
346.33261	0.6
369.88251	0.5
371.09833	0.9
429.11649	0.6
459.15073	34.5
460.15268	4.1
462.08060	2.3
463.08807	1.3
505.09656	1.6
667.15186	12.4
668.15826	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	710.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98833	100.0
62.98538	0.2
62.99258	0.1
71.01415	0.3
73.02947	0.1
85.02985	0.2
88.98827	0.1
89.02473	0.2
93.03500	0.1
98.19798	0.1
101.02465	0.1
111.00912	0.1
113.02482	0.1
125.60925	0.1
161.02487	0.2
161.04669	0.1
230.25291	0.1
403.87219	0.1
404.72879	0.1
647.36938	0.1
651.39801	0.1
710.36462	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	710.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55595	0.1
50.76937	0.1
51.14673	0.1
59.01384	1.2
60.99301	0.1
61.98834	100.0
62.98551	0.2
66.54279	0.1
66.71187	0.1
68.33559	0.1
71.01395	0.6
72.99339	0.1
73.02946	0.1
78.91928	0.1
80.91707	0.2
83.05068	0.1
84.63653	0.1
85.02984	0.2
88.98819	0.4
89.02446	0.5
95.01426	0.1
98.19868	0.1
99.00877	0.1
101.02483	0.4
113.02464	0.3
119.03524	0.1
125.02505	0.1
143.03539	0.1
161.02505	0.1
161.04614	0.1
165.05588	0.2
171.10341	0.4
172.10626	0.1
179.05684	0.1
209.11853	0.5
210.12222	0.2
227.12880	0.1
260.20667	0.1
304.07336	0.1
311.22354	0.1
312.22656	0.1
381.98264	0.1
502.19437	0.1
505.77451	0.1
650.39417	0.1
651.41278	0.4
710.35797	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	709.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72955	0.6
59.01371	1.2
61.98838	4.9
63.96224	1.8
70.83157	1.2
70.83501	0.6
71.01387	7.5
73.02949	1.4
78.98589	6.4
79.95747	12.0
80.96527	74.6
85.02963	2.9
87.00892	2.9
92.93906	0.6
94.98098	19.2
95.01405	0.6
95.75970	0.6
96.96031	1.7
97.02953	2.0
99.00873	0.7
101.02444	2.9
106.98110	4.1
122.97624	3.2
125.02515	3.3
127.04083	0.8
134.97603	4.8
136.99144	1.8
148.99170	6.0
152.98634	6.1
164.98671	12.3
167.00270	0.7
171.10291	1.4
179.00220	0.6
186.72015	0.7
206.99710	3.3
209.56589	0.6
224.98605	1.2
225.00771	19.0
226.01056	0.7
234.48936	0.5
255.23233	2.1
262.14404	0.6
279.23190	0.7
283.05038	0.7
453.14395	3.2
537.26965	0.9
544.85858	0.7
709.38568	100.0
710.38916	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	709.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42682	0.4
51.58149	0.5
57.03439	0.9
58.58354	0.5
59.01380	5.1
61.98827	4.8
65.83560	0.4
71.01388	4.5
71.71101	0.6
72.99334	0.5
73.02949	1.1
78.95908	9.5
80.96542	0.5
81.03470	0.7
83.05051	1.2
85.02956	1.3
87.00883	1.0
89.02441	3.4
90.67861	0.5
95.05040	0.8
96.96992	0.8
97.06587	2.4
101.02459	3.9
101.50890	0.5
109.98561	0.5
113.02450	2.2
125.09746	0.8
127.11304	0.9
137.86143	0.5
151.11311	9.8
152.11679	0.6
152.99609	15.3
155.10793	0.4
161.04555	1.2
163.11339	0.6
165.09279	0.9
165.12924	0.6
169.12358	79.6
170.12709	3.7
171.00656	1.5
173.97766	0.5
195.10292	0.9
200.04846	0.5
201.11331	14.2
202.11623	0.8
207.03165	0.5
209.11841	15.5
210.12215	1.0
213.11353	8.9
214.11687	0.8
218.34064	0.5
227.03322	1.0
227.12906	1.3
235.08192	0.6
253.09369	2.8
253.21724	2.4
277.21722	19.4
278.22052	2.6
279.22797	0.5
363.12173	0.6
365.27951	0.5
381.13016	1.0
431.19125	1.6
437.15833	0.8
449.20267	6.3
455.16846	2.9
456.17673	0.7
470.12805	0.5
473.17914	11.7
474.18408	1.2
691.38623	2.5
709.41498	100.0
710.41821	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	56.8
61.38180	3.9
61.98830	96.6
70.22993	3.2
70.86279	11.9
71.01379	17.5
73.02955	3.9
77.43404	3.2
82.80415	2.9
85.02956	3.3
88.98807	4.2
89.02469	4.1
101.02475	9.9
125.06116	3.5
132.96957	3.1
165.12860	4.5
171.10251	6.6
177.12759	3.5
183.13931	48.7
185.11736	3.9
197.11848	11.3
199.09741	23.3
207.10277	10.9
209.11882	27.0
211.13403	100.0
212.13753	6.0
225.11311	13.0
227.12930	14.3
235.08214	9.2
253.09283	20.7
293.21121	7.7
328.58545	4.4
342.01611	3.2
360.52255	4.1
382.75885	3.5
401.23331	3.9
421.01852	3.4
447.22293	8.1
463.21619	4.6
481.05078	3.3
611.30829	11.6
622.16296	3.4
637.32526	8.0
655.33398	8.5
656.33447	5.5
673.34808	12.0
709.32025	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	709.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98643	0.2
58.15317	0.2
59.01381	1.9
61.98831	7.5
63.99268	0.2
69.41037	0.2
69.46142	1.8
71.01392	0.9
77.66455	0.2
89.02443	0.8
95.98297	0.2
96.60639	0.2
96.96048	0.4
98.20631	0.5
101.02416	0.5
103.92024	0.5
104.92828	1.1
107.02458	0.2
107.24062	0.2
108.24140	0.2
111.51315	0.2
113.02579	0.2
119.03506	0.2
128.11333	0.2
131.03488	0.2
141.02763	0.2
161.55600	0.2
161.56984	0.2
178.88454	0.2
179.05679	0.4
209.11613	0.3
211.13394	0.7
382.41193	0.2
417.28003	0.2
435.29297	0.4
483.31009	1.7
484.31802	0.5
485.32681	10.0
486.33038	2.2
487.31009	0.3
529.31659	100.0
530.32007	20.7
646.38776	0.4
652.09009	0.2
709.22906	1.6
709.33862	0.3
710.23956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01381	18.1
60.99272	0.8
61.98824	5.7
62.36070	0.6
71.01388	15.8
72.99294	1.3
73.02955	9.7
75.27315	0.7
81.03453	1.2
83.01387	4.1
85.02969	4.9
87.00863	3.8
88.98804	2.2
89.02455	5.6
93.03472	1.4
95.01407	2.4
97.02976	3.4
99.00896	1.3
99.04523	2.3
101.02458	12.7
107.05059	1.8
109.02995	4.1
111.00892	1.7
113.02452	7.4
115.03980	1.4
115.05548	0.8
117.03499	2.3
119.03503	2.0
119.05014	1.3
121.02991	1.7
123.00851	1.0
123.04541	1.7
125.02463	16.3
131.03510	2.8
131.05072	1.8
132.02187	2.2
133.02977	31.4
134.03813	7.7
135.04544	97.6
136.04866	4.7
137.02478	5.0
139.04037	1.4
142.06680	1.6
143.03540	2.0
145.02936	0.9
147.04590	3.4
148.05319	4.0
149.02443	1.3
149.06096	17.4
151.00369	2.0
151.04074	1.9
158.03726	0.9
159.04517	7.0
161.02464	86.5
161.04408	7.3
162.02805	4.4
163.04059	1.7
165.05594	3.0
167.03473	1.3
171.04524	0.7
173.06081	1.6
174.03239	0.9
175.02634	1.1
175.04041	5.9
177.05591	34.4
178.02773	2.6
178.05919	1.7
179.03513	100.0
180.03787	4.9
187.02502	7.9
187.04041	1.2
189.09200	1.0
190.02707	1.0
193.05089	1.4
201.05594	2.7
203.03511	26.9
204.03841	1.9
204.06619	1.2
205.05167	0.9
207.06491	0.8
207.10141	0.7
209.04649	1.7
217.05241	0.9
219.06824	0.8
221.04562	49.0
222.04863	3.3
233.04497	3.9
243.06638	1.7
245.04510	4.9
251.05563	1.4
263.05685	2.1
277.07166	8.3
281.06668	2.2
283.10526	0.9
287.05890	0.7
295.08298	2.8
305.06561	5.7
315.01352	0.7
323.07733	49.3
324.08057	4.5
325.07187	1.3
337.49567	0.8
341.08682	4.3
369.09982	1.7
383.10373	0.8
395.07733	1.7
425.10989	8.6
426.11240	1.3
443.11911	33.0
444.12198	4.3
469.15250	2.5
499.16336	1.7
503.14047	69.4
504.14221	8.9
529.17194	1.4
691.26831	1.5
709.27655	30.7
710.28052	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	707.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45967	0.3
59.01375	1.4
60.99309	15.6
61.98832	2.4
69.43415	0.4
69.43768	3.6
73.04060	0.3
78.95912	0.9
88.98816	100.0
89.99152	1.1
104.50992	0.3
128.58762	0.3
152.99611	0.8
164.07123	0.4
171.10164	0.3
178.72351	0.4
186.12514	0.4
209.11847	1.6
210.12279	1.0
211.13441	3.9
225.11273	0.6
253.09262	0.7
277.21707	4.7
278.22052	1.4
279.23291	0.8
283.23785	0.4
409.90088	0.4
440.38062	0.3
471.16440	0.6
601.39960	1.2
617.39032	1.1
645.42920	2.1
707.38440	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	707.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
56.86342	0.3
57.03444	2.1
58.00590	0.5
59.01090	0.5
59.01381	11.0
61.98835	2.2
67.01877	0.7
68.99805	0.6
69.03456	0.7
69.37251	1.6
69.37688	1.8
71.01389	10.0
72.99317	2.5
73.02961	0.8
75.00450	0.5
75.00881	10.0
80.56634	0.3
81.03461	0.7
83.01384	1.3
85.02959	12.3
87.00882	4.8
89.02454	3.0
89.15696	0.3
93.03506	0.3
95.01407	3.0
99.00891	4.9
99.04528	0.6
101.02427	0.7
101.06095	62.8
102.06446	1.7
103.00392	1.6
108.02186	0.4
109.02967	0.4
111.00893	1.0
113.02466	13.5
113.06028	0.4
114.02786	0.6
115.00368	1.3
116.22724	0.3
116.92873	0.5
117.01962	2.2
119.03569	0.4
119.05054	1.1
121.02927	0.4
123.04526	0.4
125.02483	2.1
129.01944	1.1
131.07153	0.7
133.02954	0.5
135.04503	0.4
136.01642	0.4
137.02454	0.4
142.06616	0.4
147.04503	0.9
149.02444	0.7
150.03261	2.0
151.04008	1.0
153.05605	0.6
157.01382	0.5
161.02469	1.8
161.08195	4.7
162.02840	0.4
163.04028	1.2
164.04758	0.3
165.05586	3.3
167.03558	0.6
173.08229	0.4
175.02478	1.5
175.04025	0.9
177.01935	0.5
179.03481	0.7
179.05670	0.4
189.03992	0.3
195.06575	1.6
199.47356	0.3
203.09244	1.1
205.07106	0.5
207.06572	0.5
209.06618	1.5
223.79015	0.3
231.05077	1.2
249.06136	9.7
250.06494	0.6
267.07211	1.1
291.10733	0.3
301.10913	0.6
333.11795	1.0
351.12970	100.0
352.13321	8.4
353.13184	0.3
355.10345	0.9
383.10385	0.3
383.82397	0.4
459.15115	0.7
497.18503	0.7
545.20270	0.8
707.23016	1.3
708.22687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03445	1.6
58.00589	0.3
59.01376	12.6
60.21494	0.3
61.98825	2.3
67.01896	0.5
68.99834	0.8
69.03471	0.4
71.00989	0.5
71.01386	9.7
71.04971	0.3
71.71366	0.5
72.99307	2.6
73.02951	0.7
75.00880	12.0
81.03470	0.3
83.01391	1.0
85.02959	13.7
87.00889	4.8
89.02444	2.7
95.01402	3.1
99.00894	5.3
99.04512	0.6
101.02454	1.1
101.06094	67.1
102.06427	2.2
103.00374	1.0
111.00875	0.6
113.02457	14.1
114.02821	0.4
115.00390	1.2
117.01941	2.0
119.05048	0.5
122.03782	0.3
123.04547	0.4
123.92950	0.3
125.02460	2.2
127.53868	0.3
129.01988	1.2
131.07147	1.1
133.03024	0.5
134.03722	0.6
134.54785	0.3
135.04521	0.3
135.26065	0.3
137.02551	0.5
139.03986	0.4
142.06641	0.4
147.04533	1.3
147.06638	0.4
149.02435	0.8
150.03229	1.7
151.03993	1.1
153.05576	0.5
157.01443	0.4
160.01746	0.8
161.02451	2.4
161.08202	4.2
162.08498	0.5
163.04034	1.0
165.05583	3.1
167.03465	0.5
172.18422	0.3
175.02480	1.7
175.04001	0.9
175.30392	0.3
179.03450	0.4
181.05000	0.7
193.05132	0.4
195.06659	1.4
203.09270	1.3
205.07132	0.5
207.06631	0.5
209.06689	1.4
231.05095	1.4
238.54916	0.3
249.06146	9.5
250.06654	0.5
259.61069	0.3
261.04337	0.4
267.07294	1.1
291.10895	0.5
301.10675	0.4
333.11905	1.2
351.12970	100.0
352.13318	9.4
355.10336	0.9
365.18057	0.4
375.14777	0.3
459.15189	0.6
497.18515	0.4
523.92822	0.4
540.96906	0.4
644.41809	0.3
665.35242	0.4
707.23737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78524	0.3
57.83707	0.3
59.01369	1.1
61.98835	2.3
71.01378	0.4
71.04528	0.9
72.32670	0.3
78.95911	8.9
91.19502	0.3
109.38548	0.3
110.98547	7.4
137.64395	0.3
167.01178	2.3
177.84734	0.3
199.98717	0.3
275.20139	0.4
277.21732	100.0
278.22083	10.2
366.69467	0.3
386.60400	0.4
427.22574	1.2
445.23611	5.2
446.23996	0.4
705.45380	8.6
706.45905	2.8
719.21222	0.4
721.47961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05223	0.2
54.91356	0.2
57.03440	0.4
59.01380	3.4
61.98837	6.9
67.89706	0.2
69.03490	0.2
71.01387	3.5
71.08752	0.5
72.99319	0.4
73.02953	0.5
75.00870	0.2
80.02676	0.9
81.03468	1.2
83.01402	0.6
83.05042	4.4
84.02169	0.7
85.02930	1.2
85.33736	0.2
87.00898	0.8
89.02462	1.8
93.03525	0.2
95.01412	0.3
95.05034	0.5
97.02930	0.3
99.00903	0.4
101.02457	2.4
109.06614	0.3
111.00901	0.2
113.02473	1.6
119.03531	0.6
125.02449	0.2
125.06127	0.5
135.08220	0.5
143.03510	0.4
159.10243	0.2
161.02455	0.5
161.04552	1.0
163.11319	3.6
164.11612	0.3
165.12888	2.0
166.13135	0.2
169.12347	0.5
171.10297	1.5
179.05655	0.6
181.12413	0.6
182.84644	0.2
185.11787	0.3
191.10820	0.9
197.11777	0.3
199.13426	0.5
209.11848	100.0
210.12196	6.6
210.43098	0.2
211.13405	0.6
225.11429	0.5
227.12897	15.9
228.13208	1.0
235.08223	1.8
236.08575	0.2
247.13374	0.3
253.09288	6.0
304.25513	0.2
368.00095	0.2
401.23007	0.2
419.24466	0.2
420.62857	0.2
445.20715	1.7
463.21777	0.5
611.24725	0.2
633.39276	0.3
637.32532	0.7
643.27716	0.6
645.35205	0.4
655.33368	0.5
669.41162	0.4
670.40955	0.2
687.31903	0.5
705.32355	1.3
706.37689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
58.00617	0.6
59.01385	9.9
59.73912	0.4
61.98835	92.1
63.89162	0.5
69.03481	0.5
71.01395	8.9
71.05032	1.0
71.49293	0.4
72.99310	0.9
73.02947	2.4
75.00908	0.8
79.04565	0.4
80.02689	1.1
80.96548	1.3
81.00064	0.6
81.03485	2.1
83.01409	1.7
83.05044	5.3
84.02182	1.4
85.02967	2.9
87.00861	2.6
88.98816	0.7
89.02470	6.2
95.01421	0.8
95.05029	0.9
95.42244	0.5
97.02977	0.8
97.06620	1.6
99.00909	1.5
100.74094	0.5
101.02464	7.1
111.00933	0.7
111.08176	1.0
113.02474	4.2
117.13202	0.5
118.56337	0.4
119.03548	1.4
120.70244	0.4
125.02486	1.6
125.06120	0.7
125.09782	0.6
129.01939	0.7
133.02991	1.7
133.05118	0.8
135.04584	0.5
135.08157	0.8
143.03465	0.8
145.02901	0.7
145.05092	0.7
147.11729	0.6
149.40987	0.5
161.02492	4.0
161.04550	2.3
163.11317	4.8
164.11617	0.6
164.38094	0.5
165.12871	10.7
166.13190	0.5
167.03477	0.6
171.10327	0.8
179.05582	0.7
181.12373	1.4
183.13924	85.4
184.12755	0.7
184.14244	4.8
185.37579	0.5
191.10803	1.1
197.11780	1.0
199.13470	2.7
207.10274	3.3
209.11856	91.9
210.12222	6.2
211.13416	8.4
212.13814	0.6
225.11311	3.7
227.12912	13.4
228.13329	0.7
229.75891	0.6
235.08279	1.9
243.12532	1.0
253.09271	7.0
295.22504	0.5
393.26486	0.5
445.20798	1.5
457.27759	0.6
463.21964	3.0
464.22336	0.6
481.18738	0.9
499.29022	0.8
500.19128	0.5
548.23157	0.6
583.11713	0.5
601.35876	0.6
637.31873	0.6
655.33435	2.6
669.34296	0.9
673.34619	100.0
674.34961	20.1
674.46814	0.6
705.38177	10.6
706.38239	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	704.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47538	0.1
59.01380	0.2
61.98830	100.0
62.98533	0.1
67.12837	0.1
70.59706	0.1
70.60089	0.2
71.01388	0.2
72.90150	0.1
88.98820	0.1
99.00857	0.1
101.65659	0.1
129.52615	0.1
171.10370	0.1
180.27296	0.1
197.76472	0.1
207.10237	0.1
209.11879	0.2
211.13419	0.2
212.13904	0.1
225.11273	0.1
227.12842	0.1
233.36606	0.1
327.62051	0.1
343.06445	0.1
437.06848	0.1
705.37457	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
57.03436	0.3
58.00577	0.3
58.49327	0.2
59.01386	4.1
61.98835	7.8
71.01392	3.3
71.05023	0.3
71.71784	0.3
72.99305	0.4
73.02942	0.6
75.00892	0.4
78.84350	0.1
80.02676	0.9
80.14950	0.2
81.03482	0.8
83.01396	0.7
83.05032	4.1
84.02190	0.7
85.02959	1.2
86.95415	0.2
87.00885	0.8
89.02463	2.0
93.03471	0.2
95.01366	0.3
95.05047	0.7
97.02956	0.2
97.06610	0.2
99.00897	0.3
101.02458	2.8
109.06625	0.2
111.00893	0.4
111.04545	0.2
113.02477	1.5
119.03545	0.6
123.04626	0.2
125.02475	0.4
125.06091	0.5
125.09751	0.4
127.04038	0.4
129.02029	0.2
129.05595	0.2
135.08160	0.5
143.03532	0.2
147.11856	0.3
151.00406	0.2
154.99864	0.5
155.14441	0.2
159.10220	0.3
161.02472	0.2
161.04590	1.1
163.11322	2.8
164.11687	0.4
165.05615	0.2
165.12856	1.9
169.12343	0.4
171.10278	0.9
179.05618	0.5
181.12370	0.6
183.13853	0.3
191.10800	0.8
197.11890	0.3
199.13435	0.8
205.05017	0.3
207.10295	0.4
209.11847	100.0
210.12177	6.4
225.11314	0.7
227.12901	15.3
228.13234	1.0
235.08257	1.8
247.13460	0.2
249.15126	0.2
253.09309	5.1
254.09578	0.2
327.21765	0.2
407.19888	0.2
445.20636	1.9
446.21252	0.4
463.21649	0.3
469.43588	0.2
496.18549	0.2
505.33902	0.4
563.54480	0.2
601.39258	0.5
602.63519	0.2
627.37555	0.6
633.41174	0.2
637.32343	0.6
638.33228	0.2
639.62061	0.2
655.33276	0.2
667.40509	0.2
673.33075	0.5
687.31537	0.4
705.32727	2.0
706.33734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98834	100.0
62.98526	0.1
62.99259	0.1
69.56992	0.6
78.90200	0.1
95.19975	0.1
98.20604	0.1
145.50653	0.1
147.54131	0.1
188.31836	0.1
209.11969	0.1
277.21710	0.1
281.35645	0.1
469.33438	0.1
483.15411	0.1
484.15875	0.2
498.16757	0.1
543.16992	0.1
556.19604	0.1
557.19470	0.1
558.19183	0.5
575.16296	0.1
644.23047	0.3
704.23145	1.7
705.22711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77539	0.1
59.01380	2.1
60.01724	0.2
61.98832	100.0
62.98559	0.2
63.51926	0.1
78.02945	0.1
89.05896	0.1
98.20666	0.2
99.42407	0.1
183.54492	0.1
209.11819	2.1
216.75620	0.1
229.45795	0.1
277.21756	1.6
303.64581	0.1
354.07095	0.1
483.15262	0.3
484.15628	0.5
498.17188	0.1
511.08197	0.1
543.17163	0.3
556.18677	0.2
557.19348	0.4
558.19244	1.3
575.15558	0.2
644.23096	0.6
704.23676	3.0
705.23822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03440	0.4
58.69653	0.2
59.01381	46.8
60.01721	0.7
60.18804	0.3
68.73177	0.2
69.03463	2.4
71.01389	8.4
71.02576	0.6
72.99316	9.5
73.02952	3.2
73.09990	0.2
75.00883	0.6
76.37055	0.3
76.99209	0.2
80.47437	0.3
81.03449	0.7
83.01395	7.0
85.02964	2.3
87.00891	0.6
89.02454	2.3
95.01398	5.7
97.02963	1.0
99.00898	4.9
101.02452	5.9
103.00390	7.6
107.01434	0.4
107.68730	0.2
109.02998	0.6
111.00904	0.7
113.02464	10.1
114.02813	0.3
116.05086	7.8
117.03413	0.3
119.03539	1.1
119.05051	5.0
120.05391	0.4
123.04558	0.3
125.02458	3.9
127.00401	1.7
128.05090	2.7
130.06645	5.7
131.03505	0.4
131.06992	0.4
132.04550	0.7
134.06068	0.2
137.02469	0.7
139.00403	4.9
142.06647	23.3
143.03513	1.8
143.06999	1.5
144.04562	1.1
147.04546	73.0
148.04887	4.4
149.04579	0.8
150.03119	0.3
151.00475	0.5
153.05588	0.3
155.03490	0.7
156.08144	0.3
157.01440	0.8
158.06134	21.7
159.06503	1.3
161.02458	0.8
161.04565	3.4
165.05591	64.1
166.05702	2.8
167.03465	0.4
169.01425	0.8
172.04123	1.1
179.05658	0.4
184.07692	6.7
185.04588	1.4
185.08058	0.6
186.05620	15.3
187.02585	0.4
187.06052	0.7
188.80319	0.3
203.05679	1.6
204.06673	100.0
205.07008	6.4
207.06641	40.2
208.06995	2.7
210.05591	0.3
221.06577	1.4
228.06674	34.3
229.03535	2.1
229.06898	2.1
246.07722	9.2
247.04591	9.7
247.08011	0.7
248.04901	0.6
272.05603	1.7
288.08780	2.7
300.08850	1.4
314.06705	13.4
315.07071	1.4
318.09702	0.5
344.07806	4.5
345.08112	0.5
348.10992	1.6
362.08865	0.6
374.08664	0.6
381.08960	0.3
392.09799	3.7
413.14749	0.4
434.10931	1.1
445.77405	0.3
452.12006	19.2
453.12369	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	701.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74164	0.4
57.03436	1.0
59.01380	9.6
61.98834	5.3
67.01893	0.5
68.99828	0.5
69.03454	0.8
69.29816	0.3
71.01379	8.5
71.71471	0.8
72.99316	3.2
73.02943	0.7
75.00880	10.2
78.95898	0.5
83.01395	0.8
85.02956	10.3
87.00884	3.8
89.02451	3.2
93.03469	0.6
95.01375	2.7
96.96020	2.5
99.00887	4.9
99.48702	0.4
101.02445	1.1
101.06091	61.8
102.06429	1.5
103.00397	1.0
111.00861	0.8
113.02462	13.5
114.02802	0.7
115.00411	1.2
117.01959	1.9
122.53271	0.4
125.02424	0.6
129.01959	1.2
131.07149	0.5
133.02910	0.9
134.03609	0.5
135.04533	1.2
138.23354	0.4
139.00414	0.7
142.06662	0.8
143.02515	0.4
147.04480	0.8
150.03214	0.7
151.04066	0.4
157.01474	0.6
161.02452	2.6
161.04503	0.9
161.08162	1.1
162.02763	0.6
165.05597	1.2
170.08965	0.4
175.02390	1.6
179.05482	0.6
195.06662	0.8
205.07086	0.7
231.05052	1.3
249.06142	9.4
267.07285	1.7
291.10876	0.5
295.52231	0.4
333.11984	1.1
351.12958	100.0
352.13303	9.5
701.22864	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	702.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98833	100.0
62.98542	0.3
69.47434	0.1
69.47771	0.7
71.01411	0.2
102.07126	0.1
171.10333	0.1
190.62460	0.1
197.11877	0.1
209.11998	0.1
211.13545	0.1
232.12761	0.1
671.33087	0.2
703.36182	0.2
720.82672	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	703.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57473	12.0
51.90747	14.2
52.59542	16.4
55.20095	14.5
61.98837	100.0
71.71896	24.4
163.20290	14.0
172.61171	14.3
184.38245	14.1
277.21429	26.8
280.82428	14.0
331.93930	14.9
677.83392	17.0
683.92450	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09051	0.1
59.01380	41.8
60.01717	0.5
68.38374	0.2
71.01388	0.4
71.21130	0.3
72.99314	4.7
72.99724	0.2
79.40873	0.1
83.01434	0.2
91.05502	0.2
93.25919	0.1
95.01391	0.2
101.02480	0.2
103.00404	0.4
103.05558	0.4
113.02467	0.4
119.05045	5.6
120.05416	0.2
139.00415	0.2
142.06638	1.1
147.04544	100.0
148.04884	5.8
158.06143	1.0
161.02374	0.2
165.05589	86.8
166.05936	4.6
186.05603	0.7
204.06656	3.7
207.06635	64.3
208.06995	4.6
228.06631	0.8
246.07693	0.6
247.04727	0.2
267.19495	0.2
288.08936	0.2
300.61325	0.2
314.06650	0.5
319.24295	0.2
328.79147	0.2
344.07578	0.3
436.67108	0.2
452.11945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09495	0.4
59.01380	100.0
61.98837	2.8
64.71400	0.5
74.71582	0.5
81.91668	0.5
98.20631	1.3
240.55203	0.6
240.63586	0.5
283.57996	0.5
438.13480	3.3
439.14148	0.8
452.14682	1.0
467.13535	1.2
480.14255	0.6
481.15210	30.8
482.15500	8.8
495.16736	10.4
496.17239	2.8
497.18350	5.7
498.18524	1.4
500.17987	0.5
514.15295	2.7
523.16144	0.7
525.14417	1.0
539.15955	1.5
540.16431	7.9
541.16510	2.5
551.19153	0.7
553.17017	0.6
554.18182	2.0
555.18945	52.2
556.19171	14.2
567.18982	0.8
568.19464	0.7
572.15521	15.0
573.16040	4.1
586.17218	6.3
587.17480	1.3
589.32532	0.6
609.19794	1.1
627.21436	1.6
628.21130	0.5
641.13123	0.4
641.22638	26.6
642.22955	8.0
701.24872	70.6
702.25122	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	3.3
71.71303	0.9
78.95924	0.9
117.54547	0.7
129.84413	0.7
205.57358	0.7
255.23340	1.7
274.80435	0.7
437.12534	0.9
438.13354	5.2
439.13626	2.0
452.14777	2.0
453.15720	0.8
467.13611	1.0
481.15198	42.9
482.15433	12.5
495.16714	11.2
496.16989	3.2
497.18384	5.5
498.18338	1.4
514.14539	2.0
515.15131	1.3
525.14288	1.0
539.15863	2.2
540.16321	12.0
541.16870	2.6
553.17249	0.9
554.17987	3.0
555.18939	73.0
556.19189	18.5
567.18939	3.0
568.19208	1.3
569.20343	1.8
572.15619	20.2
573.15765	6.2
586.16937	4.6
587.17468	1.7
599.21564	1.0
600.18689	1.4
609.20367	1.9
627.21716	1.3
641.22632	37.5
642.22888	11.9
658.19287	1.4
701.24878	77.2
702.25085	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93691	0.1
59.01383	0.8
61.98832	100.0
62.05857	0.1
62.56473	0.1
62.98541	0.2
62.99266	0.1
63.99279	0.1
70.57487	0.3
71.01405	0.3
81.36970	0.1
85.02992	0.2
87.00914	0.1
89.02461	0.3
98.19854	0.1
101.02471	0.2
113.02483	0.1
119.03558	0.1
125.09737	0.1
161.04605	0.1
165.09206	0.1
165.54082	0.1
171.10298	0.7
211.13402	0.2
221.15691	0.1
233.15480	0.4
249.15114	0.3
375.25513	0.1
385.24121	0.3
403.24884	0.4
421.26199	0.1
571.97870	0.1
572.07587	0.1
621.32892	1.5
621.42438	0.1
639.34167	1.4
639.44904	0.1
698.42175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80268	0.4
52.09404	0.5
57.03437	0.6
59.01385	8.2
61.98834	19.4
69.51843	4.2
71.01389	7.1
73.02956	1.6
74.79011	0.5
83.01404	1.3
83.05020	0.6
85.02962	3.3
87.00891	1.2
88.98815	1.1
89.02463	2.0
89.03983	0.7
89.16480	0.5
93.03474	3.1
95.01429	0.6
95.64211	0.5
97.02963	0.7
99.00937	0.8
101.02458	3.9
108.02203	1.1
109.02979	5.6
111.00906	0.8
113.02451	3.3
116.92841	0.5
117.03469	1.5
119.03539	1.3
119.05066	1.5
121.02972	13.5
122.03766	11.5
123.04588	2.6
124.01684	1.7
125.02490	0.8
129.03531	0.5
131.03506	0.5
132.02197	11.8
133.03035	4.0
134.03763	28.7
135.04559	4.2
136.01639	0.6
136.05312	0.8
137.02454	3.9
139.03995	0.5
145.03011	1.1
145.55771	0.5
146.03789	0.8
147.04553	6.5
148.05362	0.9
149.02441	0.6
149.06116	7.0
150.03255	1.2
151.04024	0.6
154.02747	2.1
159.04420	0.6
160.01680	68.2
161.02423	8.4
161.04593	1.0
161.06033	2.3
161.34207	0.5
162.02866	0.7
163.04073	1.1
164.04768	0.7
165.05589	26.9
166.05946	1.6
167.03641	0.5
173.06236	0.6
175.04025	83.8
176.04353	5.0
177.01920	0.6
177.05511	0.6
178.02742	2.0
178.06323	0.8
179.03575	1.6
179.05710	0.6
179.07155	9.9
185.69467	0.5
189.05649	0.6
191.03506	1.0
191.07181	1.8
193.05077	25.6
194.05449	1.2
202.02847	0.9
205.05067	1.5
209.08064	0.7
217.05103	1.5
223.09744	0.8
232.03714	0.5
233.04553	0.9
235.06233	0.8
269.11804	1.5
277.07272	0.6
313.14456	1.4
315.12320	2.4
322.06934	0.8
325.10730	1.7
331.15631	0.6
337.09302	100.0
338.09634	8.0
339.08792	1.0
339.12485	0.8
340.13034	1.2
346.14175	9.2
347.14960	6.0
353.10092	0.9
356.66919	0.5
361.16589	52.8
362.16928	6.0
383.15173	0.9
439.51508	0.5
459.14520	2.1
477.23480	0.9
489.19131	1.3
501.23627	0.8
519.20123	6.5
520.20679	1.0
579.18512	1.2
639.28857	2.8
699.26691	46.2
700.27069	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	698.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60686	0.1
59.01390	1.0
61.98818	0.7
67.23257	0.2
71.01383	0.5
71.53358	0.4
76.94144	0.2
80.97001	0.2
82.92711	0.2
85.02933	0.2
93.09554	0.2
95.01382	0.2
96.96042	0.4
101.02467	0.5
107.03806	0.6
108.04574	87.8
109.04269	0.1
109.04908	3.5
110.47279	0.2
113.02517	0.3
129.57928	0.2
132.04613	0.3
133.02927	0.4
135.02971	0.2
135.04544	1.0
137.02420	0.3
146.91142	0.2
149.02451	0.3
149.06168	0.2
150.05632	100.0
151.05977	5.5
160.32176	0.2
161.02467	1.2
165.05583	0.3
165.15132	0.2
177.05629	0.4
179.03571	0.9
179.05519	0.2
221.04550	0.3
280.69897	0.2
281.06726	0.5
312.10950	2.4
313.11142	0.4
341.08817	0.4
342.08838	0.2
356.09900	13.6
357.10284	1.7
358.33600	0.2
422.05658	0.2
609.82587	0.2
699.21350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98834	100.0
71.71071	0.2
78.95919	0.2
93.39461	0.1
109.05930	0.1
121.02998	0.4
171.10291	0.3
178.24821	0.1
228.53775	0.2
593.63336	0.2
635.39355	1.2
636.40240	0.4
637.41125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98833	100.0
62.98540	0.2
63.99266	0.3
64.04781	0.2
67.75111	0.2
69.24496	0.1
71.01403	0.2
71.20370	0.3
89.02477	0.3
101.02468	0.2
171.10336	0.2
201.11333	3.3
202.11670	1.4
209.11806	0.2
235.08208	0.2
236.08495	0.2
239.78839	0.2
244.45595	0.1
253.09387	0.5
254.09785	0.2
259.93622	0.2
268.84927	0.2
277.21713	1.8
278.22064	1.9
279.22400	0.2
316.13022	0.1
492.98636	0.2
635.38202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98587	0.1
58.69857	0.1
59.01367	0.1
61.98832	100.0
62.98532	0.2
70.79803	0.2
88.76088	0.1
101.02528	0.1
117.03477	0.1
119.05073	0.1
145.02985	0.2
171.10367	0.1
515.33398	0.1
516.34320	0.2
633.38104	1.6
633.48145	0.1
634.38104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03437	2.0
58.00593	0.7
59.01379	26.6
61.98832	32.9
69.03447	0.9
71.01386	18.6
71.42667	0.6
72.99324	1.7
73.02950	6.3
75.00856	0.6
83.01393	4.2
84.02181	0.3
85.02959	11.1
86.00079	0.6
87.00881	1.4
87.79558	0.3
88.98808	0.3
89.02457	4.7
95.01377	2.2
97.02943	1.5
99.00884	3.2
101.02455	16.3
102.02755	0.5
111.00890	1.1
113.02460	8.6
117.03494	0.4
119.03505	1.2
119.05003	0.8
120.71213	0.3
122.06068	0.3
124.01602	0.4
125.02442	1.9
129.01996	0.5
130.97096	0.3
132.02144	0.4
133.02927	0.9
134.03751	2.1
135.04535	0.5
137.02458	0.3
141.02003	0.4
143.03474	0.7
145.02988	0.5
149.06113	0.8
150.03238	0.3
150.52254	0.2
159.02982	1.0
160.01643	1.3
161.02516	2.4
161.04575	2.1
163.03999	1.0
175.03967	1.4
176.04724	0.6
178.02699	0.3
179.03561	0.5
190.02812	0.3
191.07129	1.0
193.05093	2.3
207.06627	0.4
223.20694	0.3
229.62224	0.3
235.06102	2.1
241.21652	1.0
265.07175	1.5
287.22235	2.0
295.08209	1.7
311.09271	1.1
326.11496	0.6
341.13864	1.1
355.10263	0.4
403.26944	0.8
431.26492	1.4
449.27548	3.6
450.28076	0.6
475.34146	2.1
476.34573	0.3
491.28494	0.3
535.19659	2.4
565.32007	0.9
593.31824	10.6
594.31897	1.9
611.33002	15.7
612.33313	2.2
635.33636	0.3
653.33972	100.0
654.34320	19.4
697.30658	1.3
698.32239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44903	0.2
54.01072	0.2
55.01884	0.3
57.03447	0.5
58.00592	1.6
59.01380	100.0
60.01715	0.9
61.98832	63.7
71.01387	28.6
71.71014	0.5
72.01748	0.6
72.99315	2.6
73.02971	1.2
75.00911	0.4
83.01415	1.1
85.02964	4.8
87.00892	2.1
88.98798	0.2
89.02454	44.6
89.69227	0.3
90.02807	0.8
92.67009	0.2
95.01399	1.7
97.02986	0.4
101.02457	16.8
102.02803	0.4
104.43830	0.2
107.03517	0.6
111.00958	0.4
113.02467	13.1
114.02812	0.4
119.03517	18.2
120.03883	0.5
121.02999	0.3
125.02464	0.8
131.03534	3.0
143.03520	6.9
144.03799	0.3
144.14966	0.3
149.04559	2.2
161.02531	0.4
161.04581	9.0
179.05627	43.4
180.05951	1.8
209.11960	0.3
216.61177	0.2
260.36011	0.3
331.26483	0.6
345.85034	0.3
471.34659	0.4
472.34949	0.9
473.35275	1.2
591.37500	1.4
592.38135	0.4
609.38397	0.9
635.40204	1.8
651.37836	0.3
653.40686	0.9
695.44257	2.6
696.43243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28411	0.1
59.01384	0.2
61.98832	100.0
62.98525	0.1
82.70033	0.1
101.35446	0.1
117.03429	0.1
119.05058	0.2
121.03004	0.1
145.02954	0.2
148.16730	0.1
163.04073	0.2
171.10310	0.2
221.40837	0.1
257.59079	0.1
324.48654	0.1
429.68805	0.1
625.53625	0.1
633.38147	1.9
633.48242	0.1
634.38593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36135	0.1
59.01381	1.1
61.98833	100.0
62.98541	0.2
62.99269	0.1
70.28086	0.3
71.01378	0.1
89.02441	0.1
95.17397	0.1
98.19942	0.1
125.59618	0.1
125.79535	0.1
129.13777	0.1
171.77112	0.1
208.60941	0.1
464.01538	0.1
517.31982	0.2
633.38104	0.5
634.39117	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
58.96363	0.3
59.01379	6.7
60.01713	0.4
61.98830	11.8
69.60347	2.2
71.01385	6.4
72.99292	0.5
73.02927	0.5
83.01366	0.6
84.21136	0.3
85.02929	0.7
87.00845	0.3
89.01905	0.5
89.02454	7.9
95.01380	0.4
98.20595	0.6
101.02448	4.9
101.36604	0.3
103.92058	0.4
104.92826	1.8
108.01321	0.3
113.02467	1.7
116.46952	0.3
119.03511	2.3
125.02457	0.4
131.03542	0.5
143.03537	0.8
149.04591	0.8
161.04561	1.2
179.05646	4.1
239.73180	0.3
244.64922	0.3
515.33746	100.0
516.34143	17.2
617.29376	0.3
635.41357	0.3
695.25214	1.3
695.37299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03455	2.1
57.70828	0.7
59.01380	32.4
59.61649	0.8
61.98833	97.8
69.03473	0.7
69.52153	7.1
71.01387	23.7
72.99320	3.4
73.02947	8.3
73.83424	0.7
75.00889	1.7
77.28620	0.8
81.03467	1.2
83.01400	5.5
85.02959	11.9
86.03318	0.9
87.00903	2.8
88.98820	1.5
89.02462	7.4
95.01418	2.7
97.02982	1.6
98.20602	1.4
99.00909	3.8
99.04577	1.0
101.02461	21.1
109.02972	0.9
111.00896	2.5
113.02464	9.4
119.03532	2.7
122.06202	1.3
125.02473	3.2
129.01984	0.7
131.03615	0.9
133.02974	1.8
134.03754	2.3
135.04523	2.6
143.03467	1.0
145.02965	2.0
150.03177	0.8
155.10768	0.8
159.03084	1.3
160.01714	2.7
161.02461	5.7
161.04588	2.7
161.05898	0.6
165.05600	1.2
167.03629	1.5
171.10301	6.1
172.10564	0.8
175.04007	3.0
176.04605	0.8
179.03493	1.6
191.07236	0.8
193.05080	2.2
201.11372	2.2
204.06769	0.9
205.05063	0.8
209.11896	7.2
210.12184	1.3
218.32944	0.8
227.12917	1.6
253.09418	0.8
255.28920	0.8
265.07288	0.7
285.20731	1.5
295.08224	1.0
296.11267	0.8
335.13278	0.8
337.09274	1.1
396.52805	0.8
401.25574	0.9
408.70264	0.8
429.24957	1.1
447.25989	7.8
448.26401	1.2
473.33057	6.0
489.27194	1.7
538.10699	0.8
563.30554	1.3
591.30341	13.2
592.30438	1.5
609.31396	14.5
610.31549	3.0
614.27521	1.2
632.28387	4.6
633.29150	1.3
651.32452	100.0
652.32806	21.2
695.32739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74236	0.8
54.83007	1.0
57.03432	2.1
58.85496	0.8
59.01377	11.5
69.65632	5.0
69.66046	2.2
71.01384	3.0
82.03009	1.2
83.84129	0.8
85.02990	1.6
89.02441	1.7
90.31378	0.8
93.72645	0.8
94.02995	23.3
94.06647	1.4
95.03320	0.9
95.05025	1.1
95.76412	0.8
96.04520	1.3
99.04549	1.0
101.02475	2.3
102.60455	0.9
106.06609	1.1
108.04565	2.2
110.06123	5.1
113.02454	1.9
114.93371	0.9
121.05389	1.3
122.06126	10.0
123.03220	1.3
124.04087	4.2
125.02488	1.2
130.06659	1.2
132.02228	1.0
133.02974	11.3
134.03755	1.3
134.06131	2.2
135.04549	6.1
136.04105	4.2
136.07787	0.9
136.40155	0.9
137.04831	1.7
138.05632	10.8
142.06642	8.8
143.06984	1.3
144.04597	2.7
145.03050	1.1
146.06151	1.2
147.05667	1.6
148.07721	0.9
150.05638	3.5
158.06149	1.3
160.04082	1.3
161.02469	35.4
161.04781	4.0
162.02766	1.7
162.05634	1.4
168.06737	1.3
172.11308	1.0
174.05588	5.2
175.03850	1.2
175.05217	1.6
177.05643	1.4
179.03490	4.9
180.06679	3.1
186.05617	5.3
187.06131	1.5
187.08818	1.6
188.07120	2.1
201.10362	8.9
203.05942	2.8
203.11868	1.4
204.06711	7.4
211.08681	1.3
213.10336	5.7
215.11876	3.3
221.04605	1.7
223.08766	1.4
225.10179	1.3
226.07669	1.2
226.11234	1.2
227.11832	4.0
229.09868	12.6
229.13335	4.8
235.08659	0.9
236.09506	1.1
237.10301	2.9
238.10999	1.4
239.11896	13.9
240.12453	1.1
241.09804	2.1
243.11546	1.1
245.12874	1.9
246.07697	4.4
247.10825	1.1
249.10242	2.0
251.08191	2.7
251.11850	3.3
252.12503	0.9
255.11423	5.6
257.12964	5.8
259.10883	3.5
263.08249	1.9
263.11932	2.3
264.09036	7.9
265.09842	5.4
266.10620	1.1
267.11450	4.6
271.10873	1.2
273.12402	4.7
276.08936	1.6
277.09766	2.6
278.10468	1.6
279.08096	1.5
279.11343	14.0
280.11993	3.5
281.09381	2.0
281.12881	3.3
283.10895	3.3
285.12573	1.1
289.12000	3.1
290.10434	1.0
291.07858	2.7
291.11395	9.0
292.08557	11.3
292.11798	2.1
293.09299	7.3
295.10779	1.1
300.02856	1.5
301.11957	21.6
302.12390	2.3
306.10068	3.9
307.10895	31.0
308.11487	9.8
309.12372	3.4
311.10516	1.6
319.13007	55.7
320.13535	5.7
321.12479	1.0
323.13962	1.9
325.11972	3.3
327.13690	3.2
330.12613	1.1
333.08984	0.9
335.10403	1.6
340.10663	1.8
341.10568	1.0
342.12451	1.2
343.13086	3.0
344.14151	2.1
346.15604	1.4
350.09073	11.8
351.09854	32.2
352.10272	4.8
353.69879	1.0
358.15677	1.5
359.15137	1.3
360.17365	1.2
365.11386	2.3
369.09827	1.3
370.15948	1.9
372.13486	3.1
373.14166	1.5
374.14978	1.8
379.19125	1.1
383.12204	1.0
384.17398	1.2
386.14914	6.0
387.15887	3.6
388.16629	3.6
389.17151	1.1
390.14590	1.2
400.16858	2.8
402.14127	1.3
402.18640	1.6
403.14996	1.4
404.16260	7.2
405.16635	2.6
406.17407	1.6
412.16559	1.1
414.14548	4.2
416.16251	2.0
417.16980	1.1
418.13541	1.8
419.14618	1.7
420.19440	1.2
428.16153	2.7
429.16910	2.5
430.17786	5.0
432.15366	5.1
433.16235	1.8
437.16022	3.3
438.15515	1.1
446.17590	4.0
447.17963	3.9
448.09332	1.5
448.18829	3.2
450.16791	1.8
462.20526	1.5
474.16702	3.1
480.21524	2.0
491.16672	4.0
492.17844	7.7
493.18365	1.4
506.19308	14.8
507.19531	3.1
508.20682	1.1
509.21841	1.1
515.22620	1.7
520.21307	1.2
527.23163	7.3
528.23706	1.5
538.21899	50.1
539.22168	10.4
545.24304	8.8
546.24567	1.9
551.23199	1.6
557.23859	1.3
559.25854	2.0
569.23987	9.8
570.24432	1.0
571.21973	4.3
572.22662	1.4
587.25110	32.6
588.25671	6.2
590.23846	2.0
601.25842	2.6
603.24707	10.7
604.25061	1.5
613.23218	5.1
614.23193	1.4
619.27863	3.7
631.24225	45.8
632.24475	10.7
633.26227	1.7
635.27313	4.3
636.27472	2.0
645.25775	13.3
646.26044	2.9
663.26807	100.0
664.27130	24.3
677.28772	3.7
695.29547	56.2
696.29803	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	695.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03441	1.6
58.00589	0.5
59.01381	12.1
60.01688	0.4
61.98833	23.2
71.01392	7.0
72.99307	1.1
73.02945	1.0
75.00900	0.7
82.83540	0.3
83.01395	1.1
85.02942	2.8
87.00874	1.0
87.01823	0.3
88.98822	2.7
89.02448	4.0
90.60813	0.3
94.02999	0.7
95.01395	0.9
98.19830	0.6
99.00888	0.6
99.04546	0.5
101.02454	4.1
105.01992	0.4
105.03471	0.6
107.05059	0.4
108.02175	0.5
111.00901	1.9
113.02467	2.9
116.92908	0.4
117.03475	2.0
119.03522	1.3
119.05062	0.5
121.03007	0.7
123.04538	0.4
125.02439	0.7
126.65077	0.4
132.02197	2.4
133.02982	39.6
134.03677	2.2
135.04552	17.4
135.05609	0.4
136.01683	1.0
136.04909	0.5
137.02458	1.3
139.00539	0.4
142.06659	0.9
145.02986	1.5
148.05331	0.6
149.02477	0.6
149.06093	2.3
150.03282	0.5
151.04004	1.0
155.11359	0.3
160.01706	1.3
161.02469	100.0
162.02811	5.4
163.04024	1.0
165.05554	0.8
175.02571	0.4
175.03952	1.6
177.05556	4.0
178.02699	0.4
178.05815	0.3
179.03519	13.7
179.05777	0.5
180.03908	1.0
187.07643	0.5
189.05605	0.7
193.05115	0.9
193.07062	0.8
195.06657	0.8
203.03549	0.5
205.05034	0.9
213.32233	0.4
215.07051	0.5
221.04530	5.3
235.06117	0.5
241.04843	0.4
246.07793	0.4
251.05676	1.1
255.03162	0.4
261.06192	0.6
267.07111	0.6
271.02518	0.7
281.06635	2.9
300.02625	1.7
301.03445	0.4
332.68094	0.3
359.15103	0.9
389.15985	0.8
425.13651	0.3
471.15732	0.6
503.19498	0.5
515.22992	1.9
533.23877	2.6
534.23596	0.4
579.13306	0.6
631.24304	0.6
645.24847	0.4
663.27142	1.9
695.29437	86.0
696.29785	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	694.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06053	0.1
56.98597	0.1
59.01370	0.3
61.98833	100.0
62.98546	0.1
62.99261	0.2
68.01167	0.1
70.22643	0.1
71.01388	0.1
71.71700	0.2
74.86596	0.1
75.48589	0.1
78.95939	0.2
82.86628	0.1
84.24909	0.1
103.71317	0.2
109.12641	0.1
119.05049	0.3
122.86813	0.2
145.02965	0.7
163.04062	0.3
280.58719	0.1
471.34976	1.1
472.34924	1.0
515.33472	0.2
546.31592	0.2
631.36566	4.1
632.36774	0.9
648.25873	0.2
682.08160	0.2
694.36151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.8
61.98833	100.0
62.98557	0.9
70.86906	1.7
71.01392	6.2
72.99307	0.6
73.02963	1.5
81.03519	0.7
83.01410	1.3
85.02971	3.5
87.00864	0.7
89.02475	1.4
94.06622	0.8
95.01422	1.2
95.62744	0.6
96.96030	1.2
101.02438	3.6
105.05875	0.8
107.03797	1.8
110.06129	4.8
113.02480	2.0
117.75268	0.7
119.03491	0.6
120.08208	22.6
120.09079	1.2
121.02982	0.6
121.05344	1.3
121.08563	1.3
122.06142	39.7
123.06474	1.5
125.02476	0.9
133.02917	1.2
134.06151	1.4
135.04536	1.0
144.04568	2.3
144.08257	0.7
145.41475	0.7
160.04047	0.7
161.02464	1.7
161.04643	1.3
164.07214	1.9
171.10262	1.3
173.04865	1.1
174.05693	3.6
175.04106	0.9
182.05670	0.5
187.06520	0.6
188.03575	0.9
189.09264	2.0
199.08717	0.7
201.11397	1.0
203.05815	4.1
204.06631	2.1
209.11818	2.3
212.13585	0.7
215.11971	1.0
223.08810	1.1
225.14020	1.8
235.08832	0.9
236.09525	3.2
237.10313	3.4
239.11899	0.9
241.13496	1.9
243.15114	0.9
249.10382	1.5
249.13956	2.1
250.07489	1.3
250.11192	1.5
251.08327	0.9
251.08992	1.1
251.11885	16.7
251.14343	1.1
252.12418	1.8
253.09912	1.1
263.08456	2.9
263.11691	2.8
264.09018	3.4
264.12549	1.4
265.07150	0.8
265.09741	1.4
265.13397	3.8
266.10556	0.7
268.08575	1.4
269.09100	1.0
276.08923	3.1
277.09818	13.9
278.10532	6.3
279.08197	0.6
279.11118	2.8
281.09302	1.5
282.10141	1.2
283.10886	2.1
285.12405	1.0
287.14059	1.3
291.11380	18.0
292.12152	23.4
293.12900	16.2
294.13412	2.4
295.10938	1.8
296.08014	0.7
296.11627	0.8
297.11517	0.6
298.99051	0.7
306.09961	0.7
311.10406	1.1
313.11996	1.3
319.10886	1.1
324.11230	4.2
325.11722	1.8
325.15344	0.8
326.12503	0.8
335.10358	9.2
336.11139	11.3
337.11914	6.1
343.13162	0.9
344.13937	1.0
346.19116	1.0
358.15628	1.2
360.17139	3.2
370.19397	1.0
372.17096	6.1
373.17816	2.1
374.18713	2.5
386.14920	1.4
390.18103	2.3
391.18616	0.9
400.16653	2.2
402.18222	2.3
403.19186	1.1
404.16055	1.3
405.16833	1.1
406.17728	2.0
414.18195	7.8
415.18848	3.6
418.17728	4.9
432.19366	5.3
433.19745	2.2
436.18839	1.5
446.16684	0.9
447.18372	0.8
447.25974	2.9
458.17136	3.5
459.17932	4.7
460.18253	0.8
473.32785	2.6
476.18250	9.9
477.18976	6.9
478.19684	2.1
489.27206	1.5
490.19928	4.3
495.24115	1.3
508.20859	45.3
509.21283	8.4
513.25201	1.0
525.24963	1.1
533.35242	1.0
537.25140	4.7
555.26349	7.5
556.26465	1.7
569.23773	1.1
581.24115	6.2
582.24115	1.3
591.29773	1.3
599.25140	47.4
600.25378	10.5
601.26898	2.8
609.31476	2.7
613.26788	10.3
614.27087	1.3
631.27850	89.9
632.17627	1.1
632.28162	20.6
651.32440	13.5
694.31390	1.3
695.41071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
61.98833	55.0
63.46184	0.6
63.62208	0.6
69.86540	3.9
71.01388	3.2
72.99310	0.9
73.02956	1.5
81.88087	0.6
83.28130	0.7
85.02951	1.8
87.00857	0.8
89.02459	1.4
98.19921	0.7
99.00862	0.7
101.02441	1.7
107.03763	2.7
110.06129	4.1
111.00904	0.9
111.06450	0.6
113.02462	2.0
120.08203	22.0
121.05360	1.0
122.06139	37.5
124.07711	0.9
125.02444	1.4
128.20172	0.6
131.19446	0.6
134.06171	1.2
135.04567	0.8
136.07693	1.0
137.04791	0.6
144.04652	3.3
145.02930	0.8
152.07207	0.9
160.04001	0.9
161.02437	2.3
161.04738	1.5
162.05559	1.1
164.07118	1.5
172.04031	0.8
173.04907	0.9
174.05588	4.0
188.03566	0.9
201.11320	1.4
203.05864	3.4
204.06569	1.6
208.01299	0.7
209.11917	3.0
210.12149	1.9
211.12585	0.7
215.11864	1.1
223.08690	0.9
236.09534	2.5
237.10321	3.4
238.11110	1.2
239.11873	1.0
241.13373	1.0
243.15024	1.1
249.10222	1.4
249.13950	2.0
250.07387	1.2
250.11118	1.5
251.08218	1.0
251.08980	1.1
251.11867	14.9
252.12294	2.0
253.09549	1.1
259.05936	1.1
261.06293	0.8
263.08249	2.0
263.11890	2.1
264.08969	3.4
264.12277	0.7
265.09726	1.6
265.13458	3.5
266.10577	1.3
267.11276	0.8
268.08365	0.7
269.09338	0.8
275.11975	1.1
276.08905	1.4
277.09836	10.7
278.10556	6.6
279.11279	2.5
281.09109	0.7
282.09940	1.4
283.10815	2.3
287.14041	1.0
291.11404	11.2
292.12137	16.5
293.12909	17.2
293.16183	1.1
294.13287	2.1
295.10889	1.7
295.14392	1.0
310.09454	0.9
313.11960	1.8
319.10840	0.8
320.19553	0.7
324.11115	2.7
325.11911	1.9
326.12540	1.0
335.10434	4.1
336.11133	6.1
337.11853	4.8
344.13959	1.2
358.15320	1.3
360.17114	2.8
361.17316	1.0
372.13467	0.7
372.17233	7.5
373.17642	2.5
374.18768	2.8
386.15118	1.4
387.15485	0.9
390.18460	1.8
398.14874	0.7
400.16684	1.9
402.18076	2.0
403.19125	1.2
404.15720	1.0
405.16385	0.7
406.17606	1.8
414.18280	8.5
415.18924	2.9
418.17694	5.9
432.19336	4.1
433.19937	1.5
436.18839	2.2
441.16986	0.9
447.17892	1.3
458.17252	1.7
459.17828	3.9
473.28903	0.9
476.18375	6.9
477.18878	6.2
490.19638	2.0
495.23804	1.1
508.20865	23.5
509.21436	4.7
532.29553	0.9
537.24902	2.4
555.26361	8.8
556.26599	0.7
569.79700	0.7
581.24127	3.6
599.25104	52.8
600.25409	10.9
601.26532	0.8
613.26685	5.1
631.27844	100.0
632.28217	24.7
651.32159	1.1
706.16205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03105	0.2
58.66002	0.2
58.81688	0.2
59.01384	3.3
60.99306	0.3
61.98835	6.6
69.02814	0.2
71.01390	3.0
71.72262	0.3
73.02926	0.2
73.46227	0.2
74.27192	0.2
78.95894	0.4
80.49883	0.2
83.01396	0.3
85.02960	0.4
87.00883	0.3
88.32372	0.2
89.02457	2.9
95.05021	0.4
101.02450	2.3
101.98072	0.2
103.48132	0.2
104.92828	0.8
113.02480	0.4
119.03517	0.6
127.07672	0.3
131.03589	0.2
139.84317	0.2
143.03581	0.4
149.04500	0.2
152.99591	0.2
161.04549	0.5
179.05609	1.6
209.11815	0.3
215.93103	0.2
309.20737	0.5
409.27570	0.2
469.33173	0.8
513.32190	100.0
514.32538	20.3
515.32129	0.2
665.24738	0.3
693.23511	0.7
693.35168	0.2
694.23657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.9
56.47016	0.9
57.03439	1.1
59.01384	29.8
59.08476	0.9
61.32634	1.0
61.98840	18.0
69.41646	11.7
71.01390	9.8
72.99289	1.2
73.02956	4.2
75.00874	1.5
82.02970	5.5
83.01409	2.4
83.05035	1.7
85.02972	5.6
86.44545	1.0
87.00885	2.4
88.98830	2.2
89.02464	3.7
94.03000	52.4
95.05022	1.9
96.04569	3.7
97.02986	1.6
99.00897	1.6
99.04508	1.1
101.02458	8.3
105.05872	1.9
108.04571	4.6
110.06126	2.3
111.00887	1.9
113.02460	5.1
117.03551	1.5
119.03455	1.5
119.05082	2.0
120.04633	1.1
120.08215	46.3
121.05369	3.4
121.08599	1.8
122.06146	21.7
123.06484	1.7
125.02483	2.4
132.02202	2.1
133.03001	7.1
134.03763	4.4
135.04515	2.7
136.04048	1.5
137.02470	1.6
137.04881	1.8
138.05627	29.1
144.04576	5.8
145.02977	2.5
147.04512	1.1
147.27643	1.2
150.03230	1.6
150.05643	3.0
151.00383	1.2
152.07193	1.2
158.06160	1.3
160.01692	7.9
160.03986	1.5
161.02478	23.0
161.04642	4.1
162.05640	3.6
163.04047	2.6
164.07175	3.1
167.03540	1.3
174.05605	4.3
175.02606	2.4
175.04054	7.5
179.03612	1.4
179.05583	2.6
188.03517	2.8
189.09235	1.9
193.05048	3.9
200.07191	1.5
203.05856	7.4
204.06653	1.6
215.11914	4.9
223.08754	5.0
224.09308	1.2
225.14011	2.0
227.12029	1.1
235.06129	2.1
235.08582	1.2
236.07288	1.1
236.09535	4.1
237.10265	3.7
239.08241	1.4
239.11847	2.2
248.09586	1.4
249.10274	2.5
250.07452	1.1
250.11105	2.6
251.08144	1.1
251.09039	1.4
251.11888	28.1
252.12379	3.9
253.09663	1.5
261.12402	2.6
262.07333	1.8
263.08383	5.3
263.11713	7.1
264.08957	4.5
265.09824	3.6
265.13486	4.1
266.10480	2.3
267.07715	1.0
267.11368	3.0
268.08472	2.3
269.09326	1.3
276.08997	7.4
277.09851	24.2
278.10587	9.8
279.08170	1.4
279.11319	4.0
280.11996	2.2
281.09344	1.6
281.12592	1.8
283.10944	2.2
290.10602	1.9
291.11411	41.2
292.12103	32.7
293.09506	1.2
293.12888	23.7
294.10141	1.7
294.13507	2.0
295.11029	2.6
303.13486	2.3
309.12311	1.1
311.10117	1.1
319.10632	4.9
324.11188	6.6
325.12033	6.3
325.15454	1.8
335.10373	19.7
336.11038	12.9
337.12067	8.2
344.14166	2.6
346.15594	2.6
356.14172	2.3
358.15610	4.5
359.16534	1.2
369.11041	1.3
370.19632	1.4
371.16846	1.5
372.17126	9.6
373.13312	1.7
373.17899	2.5
373.22098	1.9
374.18719	4.9
384.13614	4.0
385.14258	1.3
386.14905	4.7
386.19312	1.9
386.42206	1.2
388.16544	2.9
398.15271	2.0
399.15726	3.0
400.16760	4.5
402.18286	1.9
412.16544	1.5
413.17429	1.6
414.18240	27.4
415.18909	7.9
418.17825	12.0
419.18326	2.1
432.19305	3.2
440.16425	3.1
441.16702	4.7
441.21506	2.9
444.15964	2.3
446.20825	3.0
457.33054	1.6
458.17291	27.3
459.17883	25.0
460.18283	4.2
469.22339	1.4
476.18295	2.3
477.18967	2.4
478.19702	1.7
490.19861	100.0
491.20129	17.6
496.21112	1.5
504.17654	1.8
508.20990	7.1
511.23541	5.5
517.15540	3.1
529.24524	2.4
536.20502	7.4
537.20758	2.1
553.24481	4.7
555.22607	11.8
556.23065	1.9
571.25726	8.0
587.25140	22.8
588.25494	3.7
597.23688	24.3
598.23749	4.9
605.26227	3.2
615.24792	79.0
616.25104	16.9
629.26367	25.3
629.60229	1.3
630.26434	4.8
633.26038	5.6
634.25946	1.6
647.27386	77.4
648.27655	17.2
661.25323	2.5
665.28876	5.8
693.20465	6.6
693.30237	3.9
694.29327	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	692.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.17632	0.1
61.98831	100.0
62.98534	0.2
69.89539	0.1
71.01384	0.2
71.53085	0.2
73.02934	0.1
85.02958	0.1
89.02439	0.1
101.02457	0.1
106.68503	0.1
113.02495	0.1
168.45728	0.1
632.36487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
58.00601	0.9
59.01379	32.8
61.98834	1.9
68.99823	3.4
71.01385	12.8
71.05031	1.3
71.71165	1.3
72.99324	4.4
73.02962	2.4
74.02440	0.7
75.00873	9.5
76.02055	0.7
83.01367	1.3
85.02963	16.7
87.00884	4.1
87.04542	0.9
89.02461	5.8
93.03441	0.7
94.32993	0.6
95.00845	0.6
95.01357	3.7
96.96032	12.3
96.99321	2.1
99.00877	6.0
99.04520	3.7
99.08177	1.6
101.02459	2.7
101.06096	52.3
102.06458	1.7
103.00353	3.7
109.02982	2.0
111.00909	4.0
113.02468	15.9
115.00376	2.6
115.04012	2.5
115.07625	0.8
116.22092	0.7
116.92917	1.2
117.02011	2.2
117.03448	0.7
117.05586	2.2
119.05035	1.0
121.03008	1.2
123.04552	2.0
125.02468	2.2
129.01959	1.7
131.07155	2.5
133.02957	6.4
134.03770	6.5
135.04547	25.9
136.04956	0.8
137.02449	2.5
139.04045	1.1
143.07166	1.5
148.05327	0.9
149.06097	5.5
150.03288	1.1
151.03996	1.4
154.21436	0.7
161.02470	29.3
161.08214	38.1
162.02859	1.8
162.08490	1.6
165.05611	0.9
173.00931	1.3
173.08202	1.3
175.02492	4.8
175.03922	1.4
177.01971	0.7
177.05598	11.0
178.02638	0.8
179.03513	32.2
180.03729	1.0
187.04022	1.1
189.05569	0.8
192.81668	0.7
193.03584	0.8
193.05020	4.8
203.03529	1.4
203.07379	1.0
203.09254	8.5
204.06694	0.7
205.05113	1.4
205.07050	1.3
207.06767	0.9
221.04581	15.9
222.04933	1.3
226.09435	0.8
231.05157	1.0
233.04633	0.8
245.08130	0.7
247.06125	0.8
249.06143	4.2
251.05624	15.0
252.05946	1.0
267.07101	2.2
281.06662	25.1
282.06946	2.5
289.07166	6.4
307.08331	0.8
323.07578	1.6
333.12137	1.0
340.05753	0.9
341.08762	33.5
342.09149	4.1
351.07306	14.7
351.12973	100.0
352.07443	1.3
352.13354	10.3
401.47070	0.8
445.13477	4.6
639.79211	0.8
693.24097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82159	0.2
59.01384	5.1
60.99318	2.2
61.98835	18.1
63.99282	0.2
65.08733	0.2
71.01395	1.9
71.62291	0.3
73.38096	0.2
78.95924	0.5
80.86924	0.3
83.06272	0.2
83.14445	0.2
85.02955	0.3
89.02476	0.8
90.77926	0.2
100.01315	0.2
101.02490	0.6
101.83620	0.2
110.19448	0.2
110.24659	0.2
113.02510	0.4
119.03522	0.3
152.99582	0.5
164.40707	0.2
171.10332	0.4
194.09225	0.2
203.57364	0.2
209.11916	0.7
211.13492	0.4
223.87875	0.2
225.11389	0.3
251.41222	0.2
255.17795	0.2
295.20581	2.2
296.20990	0.2
326.77820	0.2
363.26981	2.0
391.30151	4.6
392.30374	0.6
435.29059	1.4
436.29303	0.3
453.30109	7.5
454.30392	1.4
467.31729	4.4
468.31915	0.9
483.31729	0.3
511.30688	3.2
512.31219	0.5
529.31689	100.0
530.32031	20.0
547.32642	3.5
548.33624	0.4
684.24469	0.3
691.37225	18.2
692.37671	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	692.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88820	0.1
59.01382	0.2
61.98834	100.0
62.98532	0.2
71.01394	0.2
80.31017	0.1
83.01414	0.1
85.02979	0.1
89.02467	0.1
98.19888	0.1
101.02453	0.1
113.02476	0.1
131.90663	0.1
169.12372	0.1
183.53323	0.1
199.13525	0.1
209.11818	0.1
210.12198	0.1
251.51512	0.1
338.87430	0.1
365.16730	0.1
632.37195	0.1
660.33502	0.1
692.35461	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	691.351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69287	0.3
59.01379	4.8
61.98831	3.5
69.60435	1.5
69.60861	0.9
78.95921	0.3
79.62817	0.3
93.03476	1.4
121.02972	43.0
122.03320	1.2
136.01601	0.3
137.02470	1.4
147.56882	0.3
153.96915	0.3
196.62711	0.3
214.82986	0.3
401.59683	0.3
411.82364	0.3
469.33313	0.5
553.32050	0.4
569.31244	100.0
570.31586	19.0
691.35107	8.2
692.35535	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	691.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
58.00588	0.4
59.01382	3.7
61.98836	8.0
69.03462	0.2
70.54051	0.2
71.01388	3.0
72.99305	0.6
73.02954	0.6
75.00880	0.4
80.02684	0.9
81.03478	0.8
83.01385	0.7
83.05034	3.9
84.02182	0.7
85.02972	1.1
86.16175	0.2
87.00877	0.6
88.98827	0.3
89.02457	1.8
91.03998	0.2
93.03482	0.2
94.03001	0.2
95.01414	0.3
95.05057	0.5
97.03001	0.4
97.06622	0.4
99.00890	0.4
101.02454	2.3
109.06593	0.2
111.00876	0.2
113.02478	1.5
116.92841	0.2
119.03502	0.6
120.08215	0.3
123.04536	0.2
125.02468	0.6
125.06102	0.4
125.09727	1.0
127.11303	1.1
129.01961	0.2
133.02963	0.3
134.03725	0.2
135.04666	0.3
135.08183	0.7
138.05669	0.2
143.03537	0.2
145.05078	0.2
146.04684	0.3
149.02559	0.2
151.00406	0.3
155.10809	0.5
158.08223	1.3
159.08574	0.2
161.02484	0.7
161.04562	1.0
163.04077	0.3
163.11317	2.8
164.11594	0.2
165.05516	0.3
165.09273	0.4
165.12865	1.9
166.13223	0.2
167.03458	0.4
171.10298	1.5
175.04018	0.5
179.03523	0.2
179.05605	0.5
181.12389	0.5
182.12672	0.2
183.10275	0.3
185.11880	0.3
191.10788	0.8
193.05017	0.2
195.06738	0.2
199.09781	0.5
199.13429	0.5
201.11343	22.3
202.02806	0.2
202.11670	1.2
204.06612	0.4
207.10243	0.2
209.11847	100.0
210.12184	6.4
221.11925	0.3
225.11317	0.3
226.11690	0.2
227.12909	14.5
228.13196	1.2
235.05971	0.3
235.08194	2.6
247.13373	0.4
253.09288	8.0
254.09616	0.4
286.01160	0.3
291.11371	0.5
314.00803	0.6
315.01608	0.4
323.94824	0.2
335.10645	0.2
361.16470	0.3
375.21796	0.7
385.13345	0.2
393.22879	0.7
405.17307	0.3
412.08139	0.6
415.15311	0.3
437.20395	1.1
445.20856	2.3
446.21201	0.3
463.21939	0.2
534.18854	0.5
594.12274	0.4
597.23376	0.3
611.30933	0.5
615.25067	0.5
629.32898	0.3
637.32062	0.7
655.33411	0.4
659.24384	0.3
691.19073	0.8
691.28687	1.2
692.27716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36407	0.7
55.91349	0.7
56.21076	0.8
57.03432	1.1
58.00593	1.4
59.01378	17.1
61.98833	100.0
65.00333	1.3
67.01897	1.3
68.99834	0.9
69.03455	0.7
71.01389	10.9
71.71857	1.0
72.99319	2.1
73.02959	1.8
75.00887	1.6
83.01401	4.6
83.05042	0.9
85.02965	5.2
85.16071	0.8
87.00887	3.8
88.98833	1.2
89.02451	6.2
95.01398	1.2
99.00895	7.9
100.01668	4.3
101.02462	6.3
107.01427	1.1
109.02961	1.2
111.00899	12.4
113.02480	3.7
113.98823	1.6
113.99609	26.3
114.00386	1.3
115.00403	3.2
116.92885	1.2
117.03498	1.4
119.03524	2.0
123.00924	1.1
123.04541	1.2
124.01699	0.9
124.98840	0.8
125.02489	2.3
127.00415	1.0
128.01184	5.0
129.01938	1.0
132.02211	1.2
133.02977	22.1
134.03754	1.6
135.04539	15.2
137.02473	1.8
139.00404	1.5
143.03558	1.1
145.03006	1.6
149.02519	2.0
149.06168	1.6
150.03302	2.0
151.00340	3.9
151.04042	0.8
153.02010	0.8
156.00665	58.5
157.01418	3.7
160.01704	1.2
161.02463	75.8
161.04663	2.0
162.02792	4.3
163.00359	0.8
165.05608	2.3
165.12918	0.7
171.10324	1.0
174.01718	55.8
175.02394	4.1
175.04027	1.7
177.02039	0.8
177.05577	5.8
178.99925	1.4
179.03505	18.2
180.04066	1.1
189.05582	1.0
191.03493	0.8
194.03874	0.7
201.11299	6.4
203.03610	1.2
204.06554	1.1
205.05190	1.0
209.06587	1.1
209.11844	25.5
210.12180	1.9
214.02933	0.7
221.04593	9.0
227.12953	4.3
231.13882	0.8
233.04570	0.9
251.05614	3.3
251.11279	0.9
253.09370	2.2
255.03024	0.7
257.04590	1.7
271.02621	1.5
281.06699	7.2
287.09137	0.8
300.02853	2.0
301.03699	1.5
315.01721	1.0
316.02316	1.6
319.10425	1.2
341.08893	1.6
366.03723	0.8
382.06754	3.9
383.07681	1.7
429.21527	1.3
439.19861	1.1
492.81924	0.8
493.30484	0.8
515.23077	2.4
529.24402	1.3
543.22394	2.7
545.23804	9.6
546.24640	2.0
555.22864	2.9
556.22925	1.0
561.24133	1.0
573.23450	22.1
574.23737	4.0
575.25299	3.0
576.25836	1.1
587.25476	2.2
591.24481	33.3
592.24976	8.4
594.12939	2.0
601.26477	2.2
611.25610	2.5
629.26123	26.4
630.26685	5.6
631.24115	25.4
632.24310	6.6
643.24811	2.7
644.25079	1.2
655.24280	7.3
656.24615	1.8
673.25153	6.2
674.25806	2.2
691.17603	13.5
692.17902	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	691.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29214	0.6
57.03440	0.9
58.00602	1.2
59.01379	17.6
60.41246	0.6
61.49603	0.6
61.98833	27.0
64.26179	0.6
65.00322	1.8
66.37120	0.6
69.61972	0.7
71.01384	11.0
71.71863	0.7
72.99313	3.4
73.02945	2.7
75.00880	1.3
81.03455	0.7
83.01393	3.8
83.05039	0.6
85.02962	3.9
87.00885	3.2
88.98840	0.9
89.02460	4.9
95.01434	0.8
96.96015	0.8
99.00897	7.8
100.01679	5.5
101.02464	6.0
109.02923	0.7
111.00896	14.8
113.02444	3.6
113.99611	34.1
115.00366	3.0
117.03516	0.7
119.03545	1.5
119.05078	0.9
121.02995	0.9
122.44665	0.6
123.00907	0.9
123.04538	1.0
123.61356	0.6
124.01778	0.9
124.98852	0.8
125.02487	3.4
125.99709	0.8
128.01193	7.1
129.01880	0.8
132.02159	1.3
132.75256	0.8
133.02975	26.7
133.03986	1.4
134.03691	1.4
135.04547	20.5
136.04823	1.1
137.02463	2.7
137.06015	0.7
139.00407	1.8
142.06679	0.7
145.02992	1.1
147.04564	1.3
148.05319	1.1
149.02463	1.2
149.06091	2.4
150.03236	1.4
151.00401	1.1
152.99493	0.7
156.00671	77.3
157.01344	4.2
160.01711	0.9
161.02466	100.0
162.02814	4.8
163.04039	0.8
163.11369	0.7
165.05608	1.8
168.20840	0.6
174.01717	67.1
175.02356	5.2
175.04027	1.8
177.05566	5.6
178.02769	0.7
178.99973	0.7
179.03519	22.9
180.03853	1.6
189.05690	0.7
190.02654	0.9
193.07219	0.9
201.05659	0.6
201.11308	2.9
204.06805	0.9
205.05067	0.8
209.11836	17.8
210.12105	1.4
210.50961	0.6
221.04549	10.2
222.04805	0.7
227.12845	2.7
231.13918	1.0
235.08257	0.9
249.14825	0.9
251.05618	4.2
253.09282	1.6
255.02820	1.0
261.06146	1.3
271.02466	1.7
281.06644	9.8
287.09326	1.0
300.02762	2.1
301.03607	0.7
319.10449	1.4
327.74182	0.7
341.08865	2.1
429.21530	2.2
430.21313	0.8
437.18652	1.5
440.55765	0.7
515.23035	2.9
516.23022	1.4
529.24207	2.3
543.22400	2.6
545.24066	7.6
546.24506	1.4
555.22485	5.7
556.22870	1.8
561.23413	1.2
573.23505	25.2
574.23724	5.0
575.24982	4.5
587.24939	2.5
591.24536	43.4
592.24896	8.6
594.11652	1.3
601.26471	1.4
602.26880	0.9
611.25635	1.7
629.26270	34.6
630.26514	7.2
631.24115	36.9
632.24463	7.4
643.24060	5.6
645.26141	0.9
655.24109	13.1
656.25208	3.3
673.25305	9.2
674.25677	3.0
691.27008	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	690.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76983	0.3
56.05471	0.4
59.01376	2.1
59.38949	0.3
61.98833	27.9
71.01346	0.4
71.71432	0.6
73.02948	1.0
73.83208	0.4
74.58125	0.3
78.95902	1.4
82.74767	0.3
88.98816	0.5
127.25037	0.3
152.99580	1.1
209.11813	1.7
226.11664	0.3
295.22800	0.6
363.12262	0.5
376.06628	0.3
437.12387	0.5
438.13391	1.0
451.14142	0.6
452.14938	2.2
453.15558	0.7
465.16000	0.5
479.17786	0.5
480.14410	0.7
481.14948	5.2
482.15390	1.9
484.14508	0.6
485.32791	0.7
493.15109	1.3
494.15598	0.9
495.16779	11.9
496.16873	3.3
497.17621	0.4
498.16425	0.9
507.16611	0.6
508.17526	1.5
509.17819	1.0
512.13281	0.7
522.15063	0.5
523.20862	0.5
526.14551	0.5
533.18231	0.6
534.18896	0.4
535.16028	1.1
536.16895	2.9
537.17096	0.6
539.15405	0.4
540.16821	2.3
541.16699	0.9
551.19330	30.8
552.19568	8.9
553.18091	0.9
554.19684	2.9
555.18921	1.4
568.16412	0.6
572.15564	3.1
573.15894	0.8
583.22498	0.5
586.17017	2.9
587.17419	0.8
595.18634	2.9
596.18671	0.4
598.18640	0.5
627.21118	100.0
628.21381	33.2
629.21271	0.7
630.21454	7.1
631.21814	0.8
659.35571	1.2
690.23083	0.5
691.38696	0.7
705.96948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
59.01376	1.1
61.98836	100.0
62.98548	0.2
71.01398	1.0
71.02502	0.2
71.02871	0.2
73.02964	0.2
83.01410	0.2
83.05065	0.1
85.02969	0.3
87.00912	0.2
87.03051	0.1
89.02471	0.3
95.01435	0.2
97.02989	0.1
99.00915	0.2
101.02489	0.5
113.02497	0.5
125.02536	0.1
147.83266	0.1
161.04630	0.2
163.11343	0.2
171.10260	0.5
179.40489	0.1
183.13931	0.2
185.11993	0.2
197.11871	0.3
199.13440	0.1
201.11351	0.2
207.10356	0.4
209.11845	1.1
211.13429	0.2
225.11415	0.5
227.13004	0.3
233.68207	0.1
253.09355	0.1
281.13596	0.1
402.13788	0.1
579.42291	0.1
600.37335	0.1
619.43335	0.1
625.38055	0.2
628.41833	0.2
629.35614	0.4
647.36676	0.5
670.32025	0.1
671.33508	0.2
688.33124	0.4
688.41278	0.2
689.33069	0.7
719.59552	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	689.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.0
61.98830	100.0
64.53764	1.6
68.32170	1.7
71.01387	6.3
71.71095	2.8
85.02979	3.2
89.02447	6.1
101.02445	5.9
125.02441	4.6
148.55168	2.1
171.10246	2.3
209.11780	4.5
210.14258	1.7
255.23274	20.7
256.23590	2.2
397.08380	2.3
397.13510	41.4
398.13608	3.2
415.14700	10.3
423.32846	2.9
653.37354	7.4
689.35321	35.7
690.36029	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	689.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
56.07993	0.4
57.03447	2.4
58.00590	1.1
59.01383	17.4
61.98833	5.0
69.03460	0.9
71.01386	40.8
72.01701	0.5
72.99308	1.4
73.02950	13.8
75.00870	0.6
81.03471	0.5
83.01393	6.2
85.02961	19.1
87.00897	2.0
87.75559	0.3
89.02448	7.6
95.01415	3.1
97.02953	1.9
98.19845	1.1
99.00890	4.5
101.02457	31.3
102.02776	0.6
111.00892	0.9
113.02462	16.7
114.02817	0.8
119.03518	2.8
125.02498	1.8
129.01944	0.7
131.03529	0.5
134.17828	0.3
143.03519	1.9
159.03024	3.1
161.04582	13.9
162.05002	0.4
171.10333	0.6
179.05586	1.0
209.11884	1.7
211.13426	0.5
227.12886	0.6
230.65169	0.4
231.53734	0.4
232.69162	0.3
245.06581	0.7
300.02692	0.4
350.14276	0.4
467.30130	7.8
468.30435	0.9
470.79181	0.4
500.93079	0.5
629.35535	100.0
630.35895	18.8
653.41217	4.2
654.41461	0.5
689.39642	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	687.362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	5.7
59.01384	80.5
61.98837	55.8
69.03455	4.4
71.01389	85.2
71.70746	4.5
72.99317	6.7
73.02962	12.6
73.03291	2.3
79.95727	2.7
80.96513	7.7
81.03458	4.6
83.01392	5.8
85.02972	18.1
87.00888	9.8
89.02456	82.3
95.01405	5.8
97.02974	5.3
101.02459	68.1
111.00909	3.3
113.02471	34.4
119.03524	43.9
125.02454	35.2
131.03505	7.2
143.03528	14.3
161.04602	18.2
171.10304	5.9
172.75323	2.6
179.05629	66.6
207.10197	4.1
209.11804	15.1
211.13332	11.9
221.06676	32.2
223.09683	3.9
225.11391	6.4
258.41110	3.0
263.07654	8.2
303.23318	63.1
304.23660	9.7
323.09863	100.0
324.10031	6.7
482.73517	2.8
627.34033	4.5
669.31470	4.6
687.30963	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	687.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09272	0.5
55.01882	1.0
55.88128	0.5
57.03453	1.2
58.00599	0.6
59.01385	12.2
61.98833	16.2
69.03450	1.4
69.80591	0.5
71.01391	13.5
71.03529	0.8
71.03851	0.8
72.99320	1.5
73.02950	3.2
73.68667	0.5
78.30388	0.5
81.03445	0.5
81.15244	0.6
83.01404	1.6
83.05031	1.1
85.02962	4.8
87.00902	1.3
89.02453	6.2
95.01403	0.9
99.00887	1.5
101.02468	8.6
113.02486	6.6
119.03534	2.1
125.02417	0.7
125.09737	1.6
148.30952	0.6
161.04579	2.2
161.09769	0.7
163.11319	1.2
165.12880	1.7
171.10251	1.3
179.05592	0.7
179.10852	1.3
183.13942	13.4
184.14198	0.9
195.13913	1.9
197.11859	11.8
201.11334	8.2
205.12334	2.6
207.10226	0.9
209.11850	18.2
210.12219	1.3
211.13457	1.8
223.13405	14.8
224.13802	1.3
225.11400	1.6
227.12881	4.9
235.08261	1.4
241.10803	0.8
253.09320	3.3
261.15067	0.8
440.05905	0.5
459.22388	2.3
489.34070	3.5
525.26996	2.2
575.70477	0.6
637.32397	1.0
643.32062	0.8
644.34369	0.5
651.39740	100.0
652.40137	20.5
669.31262	1.8
687.33685	22.6
688.32672	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	685.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93382	0.2
57.03452	0.3
59.01377	2.2
61.98835	5.4
68.89552	0.2
69.58799	1.5
69.59222	0.7
71.01385	2.9
72.99303	0.3
73.02941	0.7
74.71086	0.3
75.00878	0.2
83.01426	0.3
85.02961	1.4
87.00915	0.3
88.98824	0.5
89.02467	0.9
93.03472	0.7
95.05011	0.3
99.00905	0.4
101.02439	1.4
104.28842	0.2
105.03465	0.5
107.05070	0.5
108.02187	0.3
109.02972	2.0
111.00859	0.4
113.02467	0.7
117.03493	1.5
119.03535	0.3
119.05038	0.3
121.02978	3.9
122.03777	3.4
123.04578	1.2
124.01616	0.3
124.16821	0.2
132.02200	2.4
133.02980	36.6
134.03842	2.3
135.04546	24.7
136.04924	1.0
137.02472	1.7
145.02992	0.4
147.04556	2.3
148.05273	0.3
149.06100	1.6
150.03218	0.6
151.03992	0.3
159.04550	0.5
160.01656	1.1
161.02467	100.0
162.02814	5.3
163.04089	0.4
165.04308	0.5
165.05595	5.8
167.03477	0.3
173.06195	0.3
175.02612	0.5
175.04002	2.1
175.07726	0.3
176.04749	0.3
177.02014	0.4
177.05591	3.6
178.02768	0.5
178.06116	0.3
179.03516	14.6
179.07072	2.3
180.03915	0.8
191.07204	0.3
193.05066	0.7
203.03514	1.3
220.03780	0.5
221.04553	2.8
233.04625	0.2
251.05640	0.3
263.05496	0.6
280.05890	0.5
307.10962	0.3
315.12280	0.5
323.07718	12.6
324.08136	1.0
332.12576	0.3
337.09338	0.3
346.14270	2.0
347.15030	4.0
348.15460	0.7
361.16559	6.8
362.16934	1.0
491.82120	0.3
524.20215	0.5
640.32007	0.3
641.33496	0.5
685.25256	68.4
686.25592	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	686.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78653	0.1
59.01388	0.5
61.98835	100.0
62.98561	0.2
64.35172	0.1
69.40385	1.5
98.19928	0.3
102.03514	0.1
104.99833	0.1
120.12606	0.1
129.77682	0.1
150.00346	0.1
167.05392	0.1
209.11929	0.4
216.43001	0.1
342.72174	0.2
484.87637	0.1
485.33392	0.1
530.84595	0.1
664.69684	0.1
705.13818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01728	1.1
61.98831	4.7
75.28427	0.6
77.83152	0.5
78.95910	0.8
229.49867	0.7
255.23146	0.9
333.01453	0.6
433.30276	0.6
467.17194	6.7
468.17740	1.6
481.18863	2.2
483.20490	1.7
484.20804	0.7
525.18719	0.9
526.18750	1.8
541.20941	20.8
542.21198	4.6
558.17682	4.5
559.18164	1.0
572.19421	1.1
627.24677	10.0
628.25000	1.9
687.26971	31.3
687.39038	1.5
688.27124	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	687.326
Annotation	Kidamycin
Peak:m/z	Relative Intensity
57.03444	1.9
59.01379	7.9
61.98841	7.3
68.99852	0.6
69.03475	0.7
70.11275	0.4
70.51434	1.5
71.01392	12.0
72.99320	4.1
73.02955	1.2
75.00880	7.6
81.03474	0.6
83.05039	1.2
85.02964	11.2
87.00883	4.1
89.02454	2.3
95.01401	2.4
95.05095	0.5
99.00900	7.0
101.02468	0.8
103.00382	1.2
109.06624	0.9
111.00923	0.6
111.08172	1.7
113.02467	9.6
115.00419	1.3
117.01951	0.8
127.04041	1.1
129.01961	0.8
163.11276	1.1
165.12871	12.7
165.14284	0.7
166.13181	0.7
171.10320	1.1
175.02486	1.7
183.13924	87.3
184.14284	4.3
194.32996	0.5
205.07187	0.7
207.10310	1.3
209.11861	4.3
211.13432	3.0
223.09888	0.7
225.11449	0.6
227.12944	4.6
249.06133	1.1
301.16519	0.7
366.63516	0.5
415.19714	1.2
459.18796	0.8
477.19888	1.6
488.82867	0.5
511.28995	4.0
512.29736	0.9
524.26093	0.5
625.32257	4.6
626.33301	1.1
643.31750	1.2
669.31189	4.2
670.31812	0.9
687.32544	100.0
688.32898	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	683.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82578	0.5
57.03448	3.5
59.01377	6.5
61.98823	3.5
69.03436	0.8
69.41796	5.0
69.42205	1.2
71.01392	5.3
73.02962	0.6
77.86276	0.5
83.01396	0.5
83.05029	0.9
85.02952	1.6
87.00913	0.5
89.02464	4.0
94.34037	0.6
95.05040	1.0
97.06599	13.1
101.02464	3.2
113.02459	2.0
119.03584	1.3
120.05553	0.6
123.08181	6.4
125.02461	0.8
125.09741	94.8
126.10065	3.6
143.10805	1.0
161.04553	0.8
169.08716	2.3
179.05586	0.8
187.09769	74.2
188.10156	2.7
211.09793	0.8
213.07596	0.5
218.59602	0.5
253.09210	1.6
261.13193	0.8
275.13782	0.5
277.21722	15.0
278.21988	1.5
309.59781	0.5
405.17615	4.1
423.18723	14.7
424.19067	1.6
683.40320	100.0
684.40656	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	683.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.9
59.01376	4.9
61.98831	12.1
63.99263	1.2
70.35218	0.4
71.01394	4.2
71.71942	1.0
73.02973	1.0
83.01401	0.7
83.05015	0.6
85.02968	1.8
87.00874	2.5
89.02438	1.4
95.01427	0.6
95.05030	2.0
96.19143	0.6
97.06603	14.3
101.02452	3.1
111.00932	0.5
113.02465	1.9
123.08174	8.0
125.09741	77.9
126.10038	2.3
142.52499	0.5
143.10800	0.7
145.05096	1.0
161.04597	1.2
169.08745	1.5
172.28766	0.5
179.25568	0.5
187.09773	30.6
188.10123	1.2
235.08255	2.0
252.36794	0.5
253.09256	3.2
261.13513	0.8
277.21722	36.3
278.22116	3.1
359.96017	0.5
405.17725	3.8
423.18649	4.3
453.22226	0.5
649.96039	0.5
675.37390	0.5
683.40314	100.0
684.40662	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	683.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
61.98831	8.4
70.73651	0.7
71.01380	2.9
72.99342	0.2
73.02953	0.6
75.00906	0.2
83.01414	0.7
85.00703	0.2
85.02953	1.0
87.00886	0.4
88.98803	0.6
89.02455	0.8
90.92242	0.2
95.05035	0.3
98.20625	0.2
99.00905	0.3
101.02468	1.4
105.03487	0.8
107.05062	0.4
108.02195	0.3
108.20213	0.2
109.02971	0.8
111.00906	0.4
113.02461	1.2
115.00388	0.5
115.01914	0.3
116.92897	0.2
117.03503	1.8
119.03545	0.2
119.05071	0.4
121.02990	1.6
122.03767	0.6
123.00894	0.3
123.04529	0.7
125.02451	0.4
132.02182	2.1
133.02972	40.2
134.03845	3.0
135.04543	27.9
136.04860	1.3
137.02431	1.3
143.04997	0.2
145.02951	0.8
147.04521	1.3
149.02513	0.5
149.06097	1.6
150.03255	1.2
158.03719	0.5
159.04518	2.2
160.01689	1.0
160.05305	4.8
161.02460	100.0
161.06012	2.1
162.02794	4.9
163.03987	1.6
164.04811	1.1
165.05544	0.3
173.02211	0.2
173.06110	0.8
174.06892	0.2
175.04021	2.6
175.07658	3.4
176.04678	0.3
177.01936	0.7
177.05595	4.3
178.02748	0.7
178.06346	1.5
179.03510	15.9
180.03839	0.7
189.05687	0.4
191.07230	0.4
193.05098	1.7
193.08710	0.4
195.06699	0.2
201.05656	0.3
203.03491	1.2
205.05040	0.4
210.33412	0.2
220.03761	0.7
221.04544	3.2
235.06166	0.5
251.05511	0.4
263.05560	0.8
265.07187	0.5
269.08194	1.1
280.05847	0.5
283.09793	0.6
299.09277	0.8
300.10254	0.2
311.09381	1.2
312.09891	0.3
314.11520	1.4
315.12338	2.7
316.12817	0.2
323.07718	17.4
324.08014	1.2
325.10632	0.3
326.11575	1.0
327.12094	0.9
329.13950	5.2
330.14252	0.6
331.95587	0.2
337.09409	1.0
341.13846	0.5
345.13464	1.0
441.85516	0.2
639.31659	0.2
665.20825	0.5
683.23639	66.9
684.23981	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	683.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88267	0.2
55.01893	0.3
55.70009	0.3
57.03462	0.3
59.01385	5.3
61.98832	15.5
69.03453	0.3
71.01388	4.7
71.71523	0.3
72.01760	0.3
72.76074	0.2
72.99306	0.6
73.02954	0.9
75.00883	0.8
79.44967	0.2
83.01403	0.7
84.92819	0.2
85.02951	2.1
87.00903	0.7
88.98825	0.5
89.00665	0.6
89.02454	2.1
93.03475	0.5
95.01411	0.8
99.00913	0.7
101.02455	2.1
105.03495	0.6
107.05029	0.5
107.93739	0.2
108.02206	0.3
109.02996	0.8
109.15717	0.3
111.00887	0.9
113.02469	1.8
116.92845	0.3
117.03485	1.5
119.03528	0.6
119.05044	0.6
121.02990	1.5
122.03744	0.7
123.04539	0.8
125.02467	0.5
129.01939	0.3
131.03508	0.3
132.02185	2.2
133.02979	38.2
134.03862	2.6
135.04546	25.6
135.05611	0.6
136.04840	1.2
137.02419	1.5
139.00343	0.2
145.02963	2.1
147.04509	0.7
148.05339	0.5
149.02449	0.6
149.06117	1.5
150.03279	1.8
151.04001	0.5
153.05588	0.3
158.03717	0.7
159.04529	2.5
160.01689	1.5
160.05319	6.1
161.02464	100.0
161.06039	2.7
162.02809	5.6
163.04015	1.9
164.04794	1.1
165.05545	0.5
165.12830	0.7
173.00897	0.2
173.06125	0.8
175.04068	2.6
175.07649	4.2
176.04689	0.5
176.07927	0.3
177.01950	0.4
177.05597	4.8
178.02765	0.6
178.06326	1.6
179.03516	15.8
180.03831	0.9
181.05074	0.3
183.13916	0.8
189.05630	0.6
191.03287	0.3
191.07137	0.4
193.05070	1.0
193.08725	0.4
195.06604	0.3
203.03465	1.4
205.05103	0.4
205.08791	0.5
220.03789	0.7
221.04546	3.0
251.05536	0.4
251.74879	0.3
263.05600	0.6
271.02158	0.3
276.95111	0.2
280.05905	0.7
283.02368	0.3
307.08163	0.9
315.12424	2.5
323.07745	13.4
324.08035	0.9
327.12442	0.5
329.10315	0.4
329.13980	5.2
330.14456	0.7
337.09274	0.8
371.11224	0.3
476.33502	0.3
521.32654	0.4
620.17194	0.8
639.32764	0.5
652.53448	0.3
653.22479	42.3
654.22821	9.3
665.22516	4.5
666.22748	1.0
683.23730	29.3
683.38495	4.8
684.23895	7.1
684.37152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01380	4.9
59.46729	0.2
60.99303	0.3
61.98833	41.2
62.98534	0.2
71.01386	3.1
71.71935	0.3
72.99314	0.4
73.02966	0.8
75.00888	0.2
83.01417	0.9
85.02970	1.6
87.00888	0.8
88.98831	1.0
89.02451	1.2
89.03997	0.4
90.49897	0.2
93.03490	0.4
95.01415	0.5
95.05055	0.3
99.00903	0.5
100.40223	0.2
101.02475	1.9
105.03474	0.5
108.21915	0.2
109.02998	0.4
111.00880	0.4
113.02460	1.3
115.01923	0.2
116.92861	1.3
117.03501	1.9
119.03545	0.5
119.05049	0.2
121.02975	1.0
123.04565	0.7
125.02433	0.3
132.02203	3.4
133.02985	42.8
134.03708	2.9
135.04552	9.7
136.04890	0.6
137.02470	1.1
139.04030	0.4
145.03001	0.5
147.04547	0.5
148.05269	0.2
149.06084	0.7
150.03217	0.2
151.04106	0.3
153.02016	0.3
159.04530	0.4
160.01678	3.5
161.02470	100.0
162.02802	5.6
163.04048	0.7
165.05592	0.5
171.68959	0.2
173.06224	0.2
175.02518	0.4
175.04031	5.1
176.04446	0.4
177.05603	0.7
178.02802	0.3
179.03529	4.8
180.03876	0.3
181.05214	0.3
190.81163	0.2
193.05084	1.1
204.06757	0.4
205.05098	0.3
221.04572	0.7
223.13461	0.2
225.03983	0.2
251.05573	0.6
255.06544	0.3
257.08246	0.4
268.07462	0.2
269.08243	0.7
270.08987	0.4
281.06512	0.5
282.08981	0.5
283.09619	0.5
299.08997	0.4
309.11398	0.2
309.20450	0.2
311.09299	0.4
313.11053	0.4
314.11572	0.4
315.12363	0.7
325.10944	0.2
326.11560	0.9
327.12234	1.2
329.14035	1.1
341.08832	0.4
341.13730	0.5
355.11935	0.3
430.29990	0.3
459.16534	0.5
461.14511	0.3
462.15192	0.4
471.16428	0.3
474.15250	0.2
476.16824	0.8
477.17480	2.2
478.18051	0.3
488.16785	0.4
489.17487	0.8
491.19211	2.1
492.19617	0.4
503.19104	1.1
504.19366	0.3
521.18695	0.4
521.32855	0.4
547.18188	1.8
647.29742	0.3
653.22473	30.6
653.98871	0.2
654.22852	5.9
665.22491	21.0
666.22797	4.7
683.23529	14.9
683.35950	0.9
684.23743	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	683.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
59.01384	9.1
61.98835	26.0
69.03463	0.4
71.01389	6.4
71.71260	0.5
72.99313	1.2
73.02954	0.9
75.00873	0.3
83.01414	1.1
85.02965	2.4
87.00880	0.9
88.98823	1.8
89.02471	4.2
95.01432	0.8
97.02935	0.3
99.00905	0.7
99.04511	0.4
101.02470	3.5
105.03497	1.0
108.02177	0.5
109.02963	0.8
109.55423	0.3
111.00912	1.2
113.02461	2.4
115.01926	0.6
117.03469	1.3
118.32909	0.3
119.03532	1.3
119.05047	0.9
121.02979	0.9
122.03799	0.6
123.04557	1.5
125.02464	0.8
132.02187	3.4
133.02982	40.8
134.03862	3.6
135.04547	25.9
136.04895	1.2
137.02477	1.9
139.00458	0.4
139.04030	0.6
139.76767	0.3
141.43303	0.3
142.06665	1.4
145.02988	1.4
147.04532	1.2
148.05331	0.5
149.02396	0.6
149.04947	0.5
149.06084	2.9
150.03270	1.4
153.05507	0.4
155.08386	0.4
159.04550	1.3
160.01688	5.9
160.05296	3.0
161.02469	100.0
162.02823	5.0
163.04016	1.3
164.04823	0.6
165.05579	0.9
173.06137	0.9
175.02586	0.6
175.04030	8.8
175.07608	1.7
176.04633	0.5
177.01915	0.6
177.05583	6.0
178.02745	0.6
178.06126	0.7
179.03520	23.6
180.03882	0.8
186.05623	0.7
189.05580	0.4
191.07111	0.9
193.05109	2.9
193.06665	0.5
198.08675	0.4
203.03520	0.8
204.06604	0.9
205.05070	0.5
207.06647	0.6
207.09996	0.4
220.03732	0.5
221.04561	7.0
222.51585	0.3
233.04539	0.6
235.06213	1.3
246.07622	0.6
251.05580	6.5
251.07968	0.6
265.07187	1.3
271.59280	0.3
281.06622	11.2
281.11353	0.4
282.06821	0.6
283.09824	0.8
295.08344	1.0
296.10565	0.4
304.36786	0.4
310.08368	0.4
311.09204	2.1
312.09982	1.0
315.12631	1.6
323.07758	7.6
324.08215	0.5
326.11676	0.8
327.12256	1.7
329.13925	2.5
337.09210	0.3
341.08820	8.9
341.13788	1.2
342.09201	1.0
345.13196	0.5
355.10516	0.6
387.55527	0.4
462.15350	0.4
477.17484	1.7
489.17465	0.6
492.17416	0.4
497.16617	0.4
507.18546	0.8
509.24023	0.4
521.33429	0.6
524.20477	0.7
535.21924	0.5
623.36212	0.4
653.22455	2.9
654.22485	0.5
665.22357	1.9
666.21918	0.5
683.23633	61.4
683.40375	2.4
684.23999	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	683.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01488	0.5
58.00585	0.5
59.01379	13.4
61.98840	1.1
64.30717	0.5
69.78901	3.6
71.01002	0.5
71.01387	10.5
72.99338	0.7
73.02970	0.6
83.01406	0.7
85.02970	2.2
89.02450	5.3
95.01381	0.8
96.96032	0.6
101.02462	4.2
109.02975	2.3
111.00901	0.8
113.02452	2.4
117.03530	0.5
119.03536	1.7
119.05042	1.0
121.02987	0.9
123.04478	0.6
133.02969	15.2
134.03798	4.3
135.04552	74.0
136.04907	2.4
137.02473	3.7
139.03995	1.2
146.03659	0.6
147.04572	0.7
148.05338	2.7
149.06114	14.6
150.06537	0.7
154.91904	0.6
159.04587	0.7
161.02475	69.1
162.02814	4.7
175.04036	0.7
177.05602	27.0
178.02744	0.9
178.05927	2.2
179.03528	100.0
180.03883	5.1
189.05676	0.6
193.05009	0.8
203.03600	2.8
207.06673	0.7
209.06659	1.7
213.53203	0.5
221.04570	45.9
222.04900	4.4
228.03789	0.6
233.04549	1.3
243.06612	1.2
251.05605	43.2
252.05919	3.3
281.06677	84.9
282.07016	8.2
305.06781	1.4
311.08032	0.8
323.07901	2.9
324.07913	0.8
329.13882	1.1
341.08789	87.6
342.09116	10.9
343.09235	0.8
371.10022	1.0
420.66724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01382	13.0
61.98833	83.6
63.29672	0.7
64.35117	0.8
68.99810	1.7
69.03463	1.2
70.48021	2.7
70.79362	0.7
71.01387	9.5
71.93427	0.7
72.99334	0.9
73.02946	1.7
74.61674	0.7
78.50791	0.8
80.49245	0.8
81.03470	7.9
83.01387	7.4
85.02982	4.1
87.00891	1.6
88.98827	1.1
89.02445	6.0
93.03485	6.3
95.01386	3.5
95.05019	4.5
96.31519	0.9
96.95982	1.1
97.02945	4.1
99.04550	1.9
101.02464	4.6
103.00411	1.6
107.05058	1.8
108.02135	0.9
109.02947	2.6
109.06585	1.1
111.00890	1.7
111.04530	2.6
113.02451	5.7
115.00383	1.3
117.03493	0.8
119.03534	1.9
119.05036	8.3
121.02968	5.6
121.06627	1.4
122.03781	1.3
123.00883	1.1
123.04543	16.5
124.53759	0.7
125.02465	12.7
125.05994	0.7
133.02966	1.6
133.06630	1.1
134.03751	1.2
135.04547	6.7
137.02469	5.7
137.06100	6.8
138.03299	0.9
138.15453	0.8
139.04037	9.4
142.06616	5.6
143.06999	1.8
147.04521	3.3
149.02394	2.3
149.06110	1.8
150.03244	1.9
151.00359	0.9
151.04045	4.3
153.05579	2.2
155.03531	1.3
161.02463	4.3
161.04639	1.8
161.06107	2.2
163.04071	4.3
163.07704	1.3
164.04665	0.9
165.01945	2.9
165.05591	7.8
166.02698	1.0
167.03526	24.0
168.03856	1.2
175.02477	1.6
175.04002	1.7
176.04686	0.9
177.05563	2.0
179.03566	6.3
179.05618	1.4
179.07071	1.5
180.04146	1.3
181.05045	2.6
186.05626	2.8
187.07668	1.1
189.05600	7.3
190.02763	1.0
191.03482	3.2
191.07054	1.1
193.05093	6.2
195.06686	1.7
197.04581	5.0
197.73474	0.9
201.82396	0.7
204.06697	3.1
205.05115	2.8
205.06917	1.0
206.02145	0.9
207.03230	1.1
207.06651	2.1
209.04562	28.8
209.06560	1.5
210.04948	1.6
215.72548	0.8
219.06441	1.1
220.03679	0.8
221.04507	5.1
223.06102	1.5
229.08606	1.8
233.04549	1.4
239.05634	11.9
246.07768	2.3
251.05501	4.0
251.11760	0.7
255.02983	1.9
263.05621	1.7
269.06485	1.4
271.02420	2.8
273.07693	3.0
275.05823	0.9
281.06750	1.0
285.07690	1.4
300.02756	5.6
315.08771	15.5
316.09088	2.6
327.08862	7.1
328.09225	0.9
341.10303	1.4
345.09833	5.8
355.07965	0.8
357.09814	100.0
358.10199	11.3
369.09848	3.9
387.10861	71.7
388.11258	10.6
399.10873	2.7
417.11948	21.9
417.17667	1.0
418.12241	3.3
429.11804	1.2
433.44580	0.8
441.11792	1.4
447.12924	0.9
455.62988	0.8
459.13107	6.1
471.13242	1.2
477.13992	23.2
478.14575	4.4
483.21448	1.0
487.18338	1.4
489.14188	2.9
501.13989	2.4
503.17551	1.6
507.15335	1.6
508.20782	2.3
519.15173	6.9
520.15485	1.5
531.15283	1.4
549.15668	1.5
579.13666	5.5
580.13574	2.1
597.18195	3.6
621.17908	0.9
639.19531	4.7
683.18671	1.3
683.29413	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	681.3875
Annotation	28-O-beta-D-glucopyranosyl-6beta,23-dihydroxytormentic acid
Peak:m/z	Relative Intensity
59.01370	1.1
59.84620	0.3
61.98830	2.9
63.07521	0.3
70.12473	1.5
71.01380	0.8
76.80656	0.4
89.25243	0.3
115.18150	0.3
142.99858	0.4
173.00916	1.3
226.05710	0.3
329.29523	0.3
409.31180	1.2
411.82666	0.4
423.28958	0.8
425.30695	1.4
427.32184	3.2
428.32578	0.5
439.32248	1.2
471.31149	7.8
472.31381	1.7
501.32224	100.0
502.32571	18.3
592.32996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21623	0.1
59.01381	2.1
61.98835	100.0
62.98541	0.3
62.99256	0.2
71.01395	0.6
71.09599	0.3
73.02954	0.2
75.24956	0.1
80.89130	0.1
87.00897	0.3
89.02448	0.1
95.01414	0.1
101.02485	0.5
109.06627	0.1
113.02467	0.3
117.03477	0.2
119.05076	0.2
120.49502	0.1
125.02428	0.1
127.11327	0.1
140.90108	0.1
145.03003	0.7
145.05032	0.1
151.43384	0.1
171.08823	0.2
171.10297	4.0
235.08391	0.2
253.09412	0.4
275.20126	0.1
293.21179	1.2
293.23792	0.1
325.25549	0.2
340.33289	0.1
359.26318	0.2
369.24469	0.4
387.25421	1.3
405.26563	0.9
463.78741	0.1
525.28046	0.1
575.37756	0.2
581.82300	0.1
595.34955	0.2
619.36493	2.6
620.36798	0.8
623.34528	5.1
683.27625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60182	0.5
55.23869	0.5
57.03450	0.6
59.01375	6.9
60.99307	1.1
61.98837	4.5
64.14742	0.6
68.99813	0.6
70.21635	0.5
71.01389	2.8
72.99318	0.8
73.02966	0.9
73.71571	0.6
80.05073	0.5
82.02979	0.9
85.02956	1.9
87.00903	0.7
88.98816	7.9
89.02448	1.5
94.02995	16.2
94.06635	0.6
95.01388	0.8
98.20646	1.2
99.00906	0.6
100.57716	0.5
101.02436	1.4
106.06621	1.5
108.04561	3.7
108.08200	0.8
109.04807	0.5
110.06125	3.9
111.00867	0.8
113.02460	2.0
122.06133	4.2
125.02509	0.7
133.02995	0.7
134.03763	0.7
134.06129	4.2
135.04529	1.0
136.07729	3.2
138.05640	3.8
142.06641	6.8
143.06966	1.5
146.06117	1.8
147.22038	0.6
148.07675	0.8
148.78021	0.7
149.02417	0.6
149.06111	0.8
152.07234	2.9
158.06192	1.3
159.06830	0.8
160.07623	0.7
161.02454	4.8
161.04729	1.2
162.05736	0.9
165.05586	1.6
174.05539	2.1
179.03537	0.8
180.06673	13.7
181.07031	0.6
183.04504	0.6
186.05576	3.1
187.06166	1.3
188.07187	7.8
193.07204	0.7
201.10251	1.9
203.05870	0.9
204.06654	5.3
205.06972	2.0
213.10260	0.5
215.11922	1.9
219.86717	0.6
221.04543	0.8
223.08734	1.0
224.09508	1.7
225.10214	1.1
227.11971	0.8
232.44589	0.5
233.16814	0.6
237.10242	2.8
238.07486	1.1
238.11137	0.7
239.11926	6.2
240.12419	1.0
241.13422	1.3
246.07794	2.6
247.08325	0.7
249.10384	0.8
251.08252	2.2
251.11761	1.5
252.08864	0.8
253.09802	0.8
263.11899	2.2
264.09052	1.9
265.09857	6.7
266.10443	2.3
267.07251	2.0
267.11386	4.3
279.07785	2.4
279.11374	4.5
280.12140	2.4
281.09338	1.1
281.13022	0.8
283.10934	1.3
289.09671	0.7
290.10590	1.5
291.11340	3.7
292.08578	1.6
292.11679	0.8
293.09271	5.4
294.09824	1.1
296.11462	0.9
301.11948	1.0
307.10855	14.1
308.11636	25.7
309.12219	3.8
311.10284	2.9
312.11163	1.8
319.13123	2.0
322.09619	1.0
335.10278	1.1
340.10657	12.5
341.11029	1.5
346.15720	0.7
351.09879	1.2
352.10608	1.1
353.11343	0.6
362.18793	1.1
376.16879	1.0
388.16611	1.1
390.18665	0.6
394.17740	0.6
402.18384	1.0
404.15903	0.7
406.17651	1.7
418.17740	3.7
424.19019	0.8
430.17657	15.5
431.18341	3.5
432.15216	0.7
433.15771	0.8
448.18768	14.4
449.19043	2.6
450.16910	0.8
456.15857	0.9
474.16721	3.1
475.17209	1.2
475.25864	0.6
492.17767	56.3
493.18106	10.5
494.19153	0.6
496.20938	1.2
506.19464	2.3
519.14410	1.2
519.21063	1.4
524.20361	100.0
525.20673	20.4
587.24738	1.0
621.24927	1.9
622.25360	0.6
631.24493	2.7
632.24817	0.7
649.24939	2.2
663.26703	2.5
664.27625	0.7
680.11212	0.6
681.28101	4.2
682.26324	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	681.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59283	0.8
55.79537	0.7
59.01378	23.0
65.00346	0.9
67.01886	0.8
68.99830	1.5
69.40091	3.9
69.40514	5.5
71.01389	4.9
72.99303	1.4
75.00878	1.4
75.28055	0.9
79.01913	1.8
81.03474	2.4
83.01403	5.4
85.02944	3.8
85.33076	0.8
87.00888	1.1
87.72525	0.8
89.02454	1.5
93.03467	9.8
95.01408	3.2
95.05061	0.9
96.96049	0.9
97.02945	4.2
98.20644	1.8
99.00900	1.2
101.02447	2.5
103.00385	16.5
103.04017	0.9
103.39126	0.8
105.03463	1.1
107.01419	5.8
107.05027	2.5
109.02959	3.6
111.00881	1.5
111.04536	1.1
113.02476	2.7
115.00436	0.9
117.03466	3.5
119.05042	56.6
120.05372	1.7
121.03002	6.5
123.00882	2.9
123.04552	4.9
125.02463	10.7
129.01961	7.1
131.05075	0.9
133.02985	2.9
134.03752	3.1
134.60413	0.8
135.04556	5.0
136.01657	2.5
137.02454	6.0
139.04021	6.2
142.06691	1.8
143.05060	5.7
145.02968	10.4
147.03014	14.5
147.04529	17.7
149.02422	6.1
149.06093	2.0
150.03259	1.7
151.00459	4.9
151.04019	4.2
155.03551	1.2
159.04544	1.2
161.02452	9.3
161.04631	0.8
161.06067	3.2
163.00424	4.3
163.04010	7.1
165.01929	9.8
165.04300	1.2
165.05600	14.2
166.02678	0.9
167.03513	11.4
169.01488	1.0
173.02446	2.4
173.06039	1.0
175.04053	2.6
176.01120	1.2
177.01979	6.2
177.05600	1.7
178.02599	1.7
179.03506	5.3
181.05154	1.8
185.06201	1.5
187.04030	9.3
189.01907	3.7
190.02711	1.3
190.99857	1.2
191.03595	5.1
192.00642	1.3
192.04184	0.9
193.01424	9.6
193.05064	5.2
194.01764	0.9
197.04518	3.9
199.07635	2.4
203.03473	2.3
204.06709	1.6
205.01440	9.0
205.05080	2.6
205.06842	0.8
207.03024	4.0
207.06601	9.4
208.06927	1.3
209.04533	5.9
217.01402	13.9
217.04971	1.1
219.02870	3.8
221.04550	2.1
223.02502	2.1
227.07166	2.2
229.05086	1.2
231.02963	2.6
233.04561	2.0
235.02496	14.9
236.02759	1.1
239.05602	3.5
243.03111	0.9
245.08203	1.0
247.02470	2.6
249.03967	2.0
251.05511	1.3
261.04132	2.5
265.03574	4.0
267.06812	1.6
269.08228	1.8
271.02634	1.0
271.06073	3.2
283.06088	2.0
283.09360	0.9
291.05124	0.8
309.06479	1.1
313.07181	17.4
314.07404	2.2
325.07153	7.2
326.07608	1.8
327.08521	1.3
327.62384	0.8
337.07205	18.7
338.07574	2.1
339.08685	1.4
343.08084	5.9
352.05762	0.9
353.06531	1.2
355.08224	100.0
356.08585	11.3
367.08331	7.6
368.08212	1.1
369.09930	2.2
371.09824	2.8
379.08246	2.7
385.09290	66.4
386.09644	8.1
397.09283	6.7
398.09787	1.0
415.10339	17.3
416.10730	2.5
427.10406	3.1
429.14105	4.1
439.10385	4.6
443.51944	0.9
457.11386	36.2
458.11652	5.6
470.10541	0.8
475.12445	30.3
476.12836	4.8
487.12531	6.6
488.12274	1.0
499.12418	3.0
505.13461	4.7
506.14365	1.1
517.06390	1.2
517.13507	13.0
518.13989	2.2
529.14191	1.7
547.14337	3.2
559.14740	2.1
577.15814	6.8
595.16699	43.6
596.16650	7.5
619.16907	2.6
620.15674	1.1
637.17883	47.9
638.18030	8.2
645.92767	0.9
681.23798	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44003	0.1
60.28271	0.1
61.32723	0.1
61.98832	100.0
62.98538	0.2
65.53188	0.1
69.45627	0.6
69.46054	0.4
71.86969	0.1
98.20622	0.2
112.47301	0.1
223.41455	0.1
257.08527	0.1
296.23416	0.1
346.59106	0.1
498.33340	0.1
501.35760	0.2
527.72864	0.1
617.38763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.1
59.01371	1.1
60.99310	0.6
61.98834	100.0
62.98549	0.2
71.01401	1.2
83.01405	0.2
85.02989	0.2
89.02456	1.7
89.92591	0.2
90.02861	0.1
101.02456	0.9
113.02477	0.4
119.03520	0.4
120.83981	0.1
121.18526	0.1
127.15446	0.1
131.03558	0.2
143.03578	0.2
161.04550	0.2
179.05644	0.8
271.79184	0.1
423.33005	0.2
424.33304	0.4
499.34265	4.0
500.34650	8.1
501.34976	0.8
594.55103	0.1
636.91357	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	681.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29320	0.7
57.03444	0.8
59.01381	5.8
61.06248	0.6
61.98835	1.5
65.00328	1.1
68.99821	1.4
69.89565	4.8
71.01379	2.8
73.02950	1.3
79.01891	1.7
79.22960	0.7
81.03484	3.3
83.01380	4.7
85.02953	1.5
87.00848	0.7
89.02435	0.9
91.01864	0.7
93.03469	7.7
95.01393	2.6
95.05039	1.4
97.02968	4.9
99.00862	1.3
101.02443	1.4
103.00393	1.4
105.03490	0.7
107.01404	7.5
107.05025	1.9
108.02206	0.8
109.02971	3.5
111.00863	1.3
111.04545	2.5
113.02470	1.9
117.03452	1.6
119.05042	50.8
120.05380	2.7
121.02982	5.4
123.00896	2.6
123.04527	4.3
124.01681	0.7
125.02473	9.1
131.05017	1.0
133.02930	1.6
133.06599	0.8
135.04538	4.1
136.01677	1.5
137.02454	6.8
137.06064	0.9
139.04030	7.1
142.06627	2.7
143.05040	5.8
143.06946	0.9
145.02962	8.8
147.04530	7.8
149.02444	5.7
149.06113	0.7
150.03185	2.1
151.00412	5.1
151.04037	3.2
152.04327	0.6
153.05548	0.9
155.03525	0.9
159.04523	1.3
160.05298	1.0
161.02499	3.3
161.06093	2.7
162.03214	1.2
163.00381	5.6
163.04025	4.8
164.01190	1.5
165.01962	7.5
165.05594	4.3
167.03490	10.7
171.04523	1.0
173.05986	0.9
175.03999	1.6
176.01082	1.1
177.01918	7.4
177.05600	1.1
178.02615	2.2
179.03490	3.8
180.04156	0.8
181.01483	0.7
181.05066	1.0
185.06027	1.1
186.05588	1.2
187.04007	9.3
188.04314	0.9
189.01988	0.9
189.05678	0.7
190.02759	1.1
191.03503	5.8
192.00586	0.8
193.01428	10.3
193.05011	1.3
195.06470	0.7
197.04556	2.8
199.07649	2.6
201.05602	0.9
202.99844	1.0
203.03496	1.7
204.00574	0.8
204.06689	1.9
205.01424	10.6
205.05115	1.2
206.02153	0.8
207.02972	4.0
207.06628	2.6
209.04533	6.5
211.07649	1.1
217.01436	2.9
217.04926	1.4
218.02075	0.9
219.02962	5.4
221.04579	1.5
223.02477	1.9
227.07117	4.1
229.05032	0.8
231.02901	1.2
233.00896	1.2
233.04662	3.2
233.06714	0.8
235.02493	14.4
236.02736	1.2
239.05524	2.0
239.07515	1.2
243.06564	1.1
245.04332	0.9
246.07619	0.8
247.02539	6.3
249.03992	2.5
253.96822	0.7
255.06546	0.8
261.04013	3.4
265.03534	5.5
265.08508	1.2
267.06668	1.2
271.06079	4.6
272.06430	1.1
277.03616	1.3
283.06049	1.9
283.09598	0.6
285.07593	1.2
291.04974	1.0
293.08154	1.2
297.07742	1.2
311.09329	1.3
312.06213	0.7
313.07138	17.7
314.07550	1.6
325.07053	6.5
326.07623	1.2
327.08829	1.0
337.07001	2.3
339.08560	1.5
343.08243	6.0
353.06567	1.2
355.08224	100.0
356.08524	13.3
367.08246	11.3
368.08627	1.9
369.09848	1.9
379.07974	0.9
383.07690	1.2
385.09286	73.1
386.09619	10.5
397.09164	6.6
409.09055	0.9
415.04761	1.3
415.10294	21.8
415.15692	1.4
416.10672	3.1
427.10193	1.6
429.13373	1.3
439.10385	4.5
440.10724	1.3
445.11423	0.8
457.11343	16.6
458.11838	2.8
469.11520	2.6
475.12421	29.0
476.12714	4.4
487.12503	7.3
488.12799	1.2
499.12488	2.2
505.13510	7.6
517.13483	20.1
518.13983	2.5
529.13306	1.6
547.14685	5.3
559.14783	1.6
577.15802	5.9
578.16473	1.0
595.16711	28.3
596.17047	4.8
601.15326	0.9
619.16302	4.3
632.81720	0.8
637.17804	51.9
638.18243	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	680.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63998	0.1
61.04361	0.1
61.98833	100.0
62.98532	0.1
62.99261	0.1
64.47269	0.1
71.28391	0.1
76.94955	0.1
79.04514	0.1
84.46574	0.1
88.04015	0.1
99.35433	0.1
116.93009	0.1
145.02992	0.1
205.77145	0.1
320.78238	0.1
439.72720	0.1
560.52167	0.1
617.38672	1.0
618.39270	0.3
645.43182	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	680.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66403	0.2
50.68684	0.2
55.01890	0.2
55.69157	0.2
59.01381	2.6
61.98834	100.0
62.98529	0.3
69.03484	0.2
71.01392	3.0
72.99341	0.2
73.02965	0.5
74.58544	0.2
77.64577	0.2
83.01392	0.3
85.02954	0.9
87.00894	0.7
89.02460	2.1
89.54282	0.2
97.02989	0.6
99.00943	0.2
101.02466	2.0
111.04619	0.2
113.02470	1.2
119.03526	0.8
125.02473	1.1
137.10864	0.2
143.03540	0.3
145.02995	0.2
161.04567	0.2
179.05623	0.3
221.06627	0.2
235.08249	0.9
253.09270	0.3
277.21600	0.3
283.26434	8.1
287.07996	0.2
305.08820	0.3
397.13541	8.0
415.14624	2.8
439.20914	0.2
457.21326	0.2
680.16266	0.2
681.39465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3726
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
54.00270	0.3
55.01876	0.7
57.03446	0.4
58.86926	0.2
59.01381	4.0
60.66451	0.2
61.98836	4.4
64.71689	0.2
68.32152	0.2
70.87897	0.6
71.01388	3.7
72.99321	0.5
73.02957	1.7
83.01414	1.1
85.02956	2.2
86.00106	0.4
89.02454	0.3
95.01391	0.4
96.05599	0.2
99.00896	0.9
101.02461	3.0
111.00883	0.2
113.02460	1.2
119.57100	0.2
133.01367	0.2
164.77318	0.2
473.32657	2.2
474.32886	0.5
489.55505	0.2
517.31830	0.2
604.03156	0.3
633.04749	0.2
633.36633	0.7
635.38141	5.0
635.59106	0.2
636.38721	1.0
679.37231	100.0
680.37561	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.9
59.01382	11.9
60.99309	5.4
61.98831	7.1
63.62116	0.4
71.01389	15.0
71.72168	0.5
72.01722	0.5
72.99313	0.7
78.85694	0.4
83.01390	1.1
85.02950	0.9
87.00880	0.6
89.02451	20.3
90.02787	0.5
95.01385	0.5
98.46627	0.4
101.02456	8.8
103.92007	0.4
104.79942	0.4
113.02457	4.5
119.03522	3.6
131.03511	1.5
141.09357	0.4
143.03511	1.8
149.04570	1.5
161.04594	2.6
179.05627	9.3
236.54245	0.4
272.97635	0.4
339.12650	0.4
418.43536	0.5
423.32602	5.5
423.37781	0.5
424.33060	1.0
499.34262	100.0
500.34665	20.0
500.40442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72179	0.2
55.01884	0.2
58.00578	0.3
59.01378	7.7
61.98830	27.9
64.02916	0.2
69.39850	2.2
71.01386	11.1
72.99315	0.6
73.02946	0.5
83.01394	0.7
85.02962	0.5
87.00892	0.5
89.02452	12.7
95.01369	0.2
101.01772	0.4
101.02454	8.0
102.02791	0.2
104.92794	1.2
113.02470	2.6
119.03513	3.3
131.03519	1.3
143.03555	1.3
149.04626	1.0
161.04562	1.6
179.05629	7.2
180.06032	0.3
185.11354	0.2
191.24539	0.2
232.05913	0.2
233.98566	0.2
295.22800	0.4
296.91122	0.2
428.53186	0.2
499.34259	100.0
500.34604	20.4
500.40274	0.4
501.35403	0.3
622.02942	0.2
679.25427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05263	0.1
54.12119	0.1
54.64864	0.1
59.01379	2.0
61.98835	100.0
62.98529	0.3
71.01395	1.1
71.71494	0.1
72.99326	0.1
73.02977	0.2
75.00878	0.2
75.09479	0.1
77.33846	0.1
83.04984	0.1
85.02991	0.3
87.00899	0.1
88.98805	0.2
89.02452	0.8
89.65864	0.1
93.03512	0.1
99.00900	0.2
101.02469	0.7
104.96164	0.1
113.02511	0.6
116.92918	0.2
119.03552	0.3
125.02489	0.2
137.02502	0.2
147.01439	0.1
161.02509	0.3
171.10233	0.1
278.39038	0.1
381.63953	0.1
455.26746	0.4
522.22845	0.5
645.30035	0.3
680.38147	1.1
681.39178	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	679.263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41671	0.2
56.63951	0.2
59.01381	4.5
67.01909	0.2
71.01385	0.7
71.71653	0.2
71.72156	0.4
72.99306	0.3
75.00873	0.2
79.05564	0.2
81.03446	0.4
83.01376	0.3
83.05028	0.6
85.02945	0.4
89.02411	0.4
94.02994	2.1
95.05035	0.3
96.04540	0.2
96.95980	1.1
98.02494	0.5
99.00899	0.3
101.02453	0.4
104.10363	0.2
107.03831	0.2
108.04587	2.0
109.02942	0.3
110.06143	0.3
111.00896	0.5
113.02460	0.5
119.05003	0.3
120.04581	0.9
122.06137	8.3
123.06466	0.4
124.04032	1.3
133.02979	0.5
134.03741	0.7
134.06158	1.2
135.04527	0.8
135.06894	0.4
136.04066	4.0
136.07697	8.1
137.08015	0.5
138.05649	1.9
143.08723	0.3
144.04575	0.5
146.06155	0.3
147.04555	3.1
147.06921	0.3
148.03972	0.5
150.03151	0.4
150.05618	8.7
151.05962	0.3
152.07216	1.9
158.06107	0.3
159.05797	0.2
159.11760	0.6
160.01682	0.5
160.07724	0.3
161.02487	2.3
162.05614	0.4
163.08842	0.3
165.05582	3.0
172.07646	0.2
174.05650	0.5
174.09232	0.8
175.02496	0.5
175.03996	0.7
175.05267	0.3
176.03450	0.4
178.02748	0.3
179.03488	0.6
186.04294	0.5
186.09229	2.9
187.09781	0.3
187.11314	0.3
188.03572	0.2
188.10864	0.4
193.05061	0.8
200.10812	0.4
201.06522	1.6
202.07195	1.6
202.08852	0.8
202.12367	1.6
203.05916	0.6
203.12682	0.3
207.06654	2.0
212.10872	1.5
213.06526	0.4
214.07117	1.0
214.09068	0.5
215.08150	2.6
216.08986	0.6
217.09833	0.3
227.08174	0.4
227.11909	0.3
228.10353	3.1
229.09811	13.9
230.12030	8.3
231.11842	0.9
235.06186	0.5
239.08214	0.6
240.08932	0.7
243.11302	0.5
244.08499	0.8
245.09314	5.0
245.13002	0.8
246.09508	0.5
255.11357	3.3
257.09305	6.4
258.09973	1.7
259.10745	0.4
260.11426	0.3
263.10373	0.3
265.10803	0.7
273.12418	19.7
274.10168	0.3
274.13104	1.5
275.10361	1.4
290.12518	0.3
291.13498	0.5
299.10474	0.8
317.11420	14.7
318.11707	1.6
323.07779	1.0
325.11826	0.4
334.11880	0.6
335.12476	100.0
336.12811	9.9
336.17038	0.4
343.12973	1.7
361.16541	0.3
397.11221	0.3
427.16138	0.7
483.16971	0.5
517.13049	1.9
587.21320	0.4
607.24243	0.4
619.23987	0.6
647.23303	0.3
679.26025	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	678.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28863	0.4
59.01375	8.8
61.98834	1.1
71.01376	2.7
71.72057	0.5
71.72431	0.7
72.99315	2.7
75.00887	1.3
83.01411	1.4
85.02974	1.1
89.02451	0.8
91.01956	0.7
96.96022	1.1
99.00912	0.7
100.62495	0.5
101.02448	1.6
107.01403	0.6
109.02962	0.8
111.00902	2.6
113.02489	1.1
116.05087	3.7
117.68687	0.6
119.05004	0.6
125.02447	0.8
128.05074	1.4
130.06633	1.5
132.02168	0.8
133.02979	2.6
134.03783	1.2
135.04552	8.3
137.02489	1.1
142.06642	100.0
143.06993	6.2
147.04454	0.5
149.06093	2.3
151.00383	1.4
158.06122	12.0
159.06418	0.7
161.02463	8.4
162.02818	1.5
163.00351	0.9
163.04102	0.5
165.01930	1.0
175.03975	1.0
177.05612	2.8
179.03502	10.3
186.05621	45.9
187.04228	1.0
187.05920	3.9
189.05571	0.9
193.05043	0.7
195.06650	1.0
203.03438	0.6
204.06665	71.3
205.07027	4.7
211.04002	0.7
213.05647	0.7
221.04552	5.0
227.03488	9.3
229.05093	2.9
246.07704	50.2
247.08124	4.5
251.05605	1.5
255.02974	21.9
255.05699	1.1
256.03754	0.6
257.04520	1.4
281.06625	2.4
283.02286	0.7
284.03250	25.7
285.04028	20.1
293.76779	0.5
323.07614	1.4
324.08276	0.5
361.16666	1.0
387.10953	1.4
517.12915	2.5
517.22968	0.6
559.14087	1.2
575.13916	0.7
576.14337	1.3
593.14752	1.7
608.38306	0.6
619.16614	3.9
635.16302	33.5
678.17181	3.0
679.17505	0.7
679.25983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17495	0.3
59.01373	6.9
60.94138	0.3
61.57795	0.3
61.98809	0.6
67.21572	0.3
71.01389	0.9
72.99300	2.9
74.02493	1.5
74.07914	0.3
75.00858	0.4
80.21953	0.3
85.02975	0.4
87.00915	0.4
89.02460	0.5
98.02505	0.4
101.02420	0.4
111.00888	0.5
111.32250	0.3
113.02457	0.7
116.03488	0.4
116.05081	3.5
117.05441	0.3
122.06231	0.4
125.02554	0.4
128.05086	1.4
130.06665	1.2
140.00963	0.3
142.06645	100.0
143.06978	5.4
143.26280	0.3
147.04524	1.4
150.05658	0.3
158.06137	10.6
159.06477	0.6
161.02473	0.8
165.05576	1.5
179.03476	0.7
186.05629	46.0
187.05988	2.6
203.08275	1.0
204.06679	66.6
205.06998	4.3
207.06607	0.5
229.88161	0.4
245.09311	2.4
246.07700	49.9
247.08037	4.2
267.06955	0.4
273.12265	0.3
293.31448	0.4
335.12540	2.4
385.88657	0.3
392.26416	0.4
605.01306	0.4
619.22314	0.5
679.24316	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	677.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
60.99341	0.9
61.98835	11.5
71.01395	2.3
71.08601	0.6
72.99329	0.3
73.02979	0.3
75.00881	0.3
83.01421	0.5
83.05050	0.4
85.02998	0.6
87.00891	0.2
88.98843	0.4
89.02019	0.4
89.02443	1.4
95.01442	0.6
95.33901	0.2
96.96031	0.2
97.02937	0.2
101.02467	1.4
113.02505	0.5
119.03561	0.2
125.02564	0.2
133.01541	0.3
134.03790	0.2
134.04767	0.4
160.01683	0.3
161.02556	0.5
163.11296	0.2
171.10284	4.0
175.03975	0.2
183.69868	0.2
185.11861	0.4
209.11838	4.3
210.12218	0.6
212.13947	0.3
225.11401	0.2
227.12984	0.9
234.40410	0.2
253.09415	0.5
333.85696	0.2
360.18091	0.3
363.26724	0.4
391.30164	0.5
409.31122	2.0
425.30600	0.3
427.32092	0.3
445.20645	0.3
453.30106	3.4
454.30673	0.7
455.26617	1.0
469.29471	2.0
470.30286	0.4
471.31110	11.2
472.31302	1.8
497.29166	1.7
498.29013	0.3
515.30121	100.0
516.30450	19.4
533.31287	2.7
534.31549	0.3
573.32520	0.3
659.32593	0.3
677.35602	28.6
678.24847	0.5
678.35980	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	676.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.1
60.45077	0.3
61.98836	2.1
68.52034	0.3
69.80379	1.8
71.95712	0.3
72.99303	2.5
74.02494	0.4
83.01374	0.4
85.02963	0.5
88.98843	0.4
89.02456	0.8
101.02476	0.6
111.00912	0.6
116.05093	4.0
119.03557	0.3
125.02477	1.0
126.18004	0.3
128.05087	1.5
130.06705	1.9
131.07208	0.3
132.04460	0.3
134.03757	0.5
135.04507	0.5
137.02432	0.5
140.95042	0.3
142.06642	100.0
143.06998	6.2
144.04594	0.6
144.38109	0.3
147.04530	0.7
150.03236	0.6
151.00365	0.4
151.04086	0.4
152.01146	0.5
158.06139	11.0
159.06441	0.5
161.02455	1.0
165.05574	1.2
172.04117	0.4
186.05623	46.4
187.05962	2.8
203.71417	0.3
204.06671	68.9
205.05171	0.4
205.07014	4.5
209.06691	0.5
245.09286	0.6
246.07704	52.2
247.08076	4.6
255.03131	0.5
256.49503	0.4
285.04047	1.4
309.04202	0.3
320.85358	0.4
448.18701	0.3
677.23309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.4
57.03448	3.8
58.00597	1.2
59.01382	21.0
59.98539	1.0
60.99333	1.1
61.11332	0.9
61.98835	22.2
67.01920	1.4
68.99863	2.0
69.03491	1.6
71.01392	21.9
72.99312	8.6
73.02956	3.5
74.02502	0.9
75.00880	20.0
79.18717	0.5
81.03511	1.9
83.01397	3.1
83.05087	2.2
85.02962	19.3
87.00885	8.3
88.98824	7.4
89.02463	7.3
93.03519	1.7
95.01401	5.7
97.03009	0.9
98.20567	1.5
99.00901	28.7
99.04533	13.6
99.05138	0.7
99.05651	0.7
101.02458	4.0
103.00435	1.6
107.05082	0.9
109.03021	2.0
111.00932	5.3
111.04565	1.4
113.02466	19.5
114.02880	0.8
115.00389	2.9
115.04073	0.5
116.05061	3.2
116.92921	0.7
117.02013	2.6
119.03631	0.7
119.05025	0.9
121.06671	0.7
123.04533	0.8
125.02510	1.8
127.00515	0.6
127.04144	0.7
128.03520	1.2
128.05162	0.7
129.01997	2.1
130.06686	1.7
130.08844	0.7
133.03006	1.6
134.44202	0.6
135.04631	1.3
135.07159	0.5
135.08232	1.6
137.02518	0.9
139.00447	1.8
141.02014	0.8
142.06662	4.2
143.03662	1.0
143.04707	1.5
144.04572	0.9
145.02965	1.0
147.04625	0.7
150.03362	0.6
151.00426	0.7
153.01968	1.4
157.00356	0.6
157.01372	3.3
158.06142	7.1
161.02553	3.4
161.04662	1.7
163.11249	0.7
165.01895	0.7
165.05638	1.0
175.02551	2.3
175.03972	0.8
179.05757	0.8
184.07729	0.7
186.05685	2.7
189.04111	0.9
193.05157	0.9
193.07271	1.0
199.02547	0.7
203.14442	9.9
204.06674	38.7
205.07314	0.9
209.11859	6.0
210.08824	1.1
211.16559	0.6
215.46329	0.6
221.04645	0.8
221.15483	46.3
222.15848	3.6
222.17801	0.8
227.12903	3.0
228.06686	6.7
231.05089	1.5
247.13426	1.4
249.06157	14.3
250.06465	0.6
265.14407	8.6
266.14667	0.9
267.07196	4.8
272.08817	0.8
277.12881	0.7
281.06705	0.9
284.03329	0.7
297.07944	0.7
306.07706	5.4
339.18115	3.0
447.22495	1.0
453.21112	4.6
473.20139	0.7
483.22916	0.6
497.20276	42.0
498.20667	7.0
515.21332	100.0
516.21759	14.6
539.21490	1.0
557.22534	5.7
587.23193	0.9
617.24512	0.9
641.37976	1.0
642.40778	0.6
677.26788	57.5
678.27252	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96828	0.3
55.98002	0.3
59.01381	9.8
61.98836	1.8
69.78300	2.5
71.01386	1.3
72.99320	2.2
74.02454	0.4
75.00859	0.3
83.01422	0.4
83.37087	0.3
83.80034	0.4
89.02473	1.6
95.04992	0.3
98.19942	0.4
101.02482	0.8
109.02974	1.6
113.02482	1.0
116.05075	3.9
122.02525	0.6
123.04546	1.5
125.02451	1.2
128.05092	1.2
130.06667	1.6
131.07137	1.8
131.48552	0.3
133.02954	0.8
134.03766	1.5
135.04539	0.6
136.01701	0.6
137.02487	0.7
139.04047	0.4
142.06645	100.0
143.05966	0.5
143.06992	5.6
144.04628	0.4
145.03004	0.4
147.41386	0.4
149.02405	0.4
149.06126	0.4
150.03207	0.5
151.04030	1.3
158.06128	10.8
159.06453	0.5
161.02492	2.5
161.08202	0.9
165.01930	0.6
165.05579	0.9
167.03534	0.3
173.08170	1.2
177.05548	0.7
179.03503	1.0
179.05580	0.4
182.42471	0.4
186.05626	44.7
187.06001	2.8
193.05052	1.8
195.06680	0.8
204.06670	71.3
205.05186	0.8
205.06970	5.1
209.06654	0.6
225.68071	0.4
241.05128	0.7
245.09009	0.4
246.07704	51.9
247.08041	4.0
268.49252	0.4
271.09866	0.5
289.07169	4.9
290.07504	3.6
385.11353	1.0
436.41293	0.3
451.54343	0.3
459.15073	0.6
517.65247	0.4
592.09827	0.4
614.21149	0.7
633.21179	0.4
677.23853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
61.98831	26.5
67.94703	0.6
71.01389	4.4
71.71036	0.6
73.02953	0.7
78.95904	1.6
84.07629	0.7
85.02971	1.0
89.02435	1.0
97.03687	0.6
101.02454	2.2
113.02439	1.1
113.78515	0.5
146.96794	0.7
151.77147	0.6
160.84282	0.7
161.04506	0.6
162.07210	0.5
193.44998	0.6
207.10156	0.7
208.10817	0.7
209.11835	2.0
210.12173	1.2
211.13539	2.6
212.13649	1.1
225.11336	1.1
227.12971	1.4
228.13200	0.9
237.96445	0.6
329.35669	0.6
452.32800	0.8
453.32739	0.7
469.33136	5.3
470.33444	0.9
471.34915	3.3
615.39288	12.9
616.39160	3.3
633.40320	3.3
675.41425	100.0
676.41864	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	675.4142
Annotation	Rubianoside I
Peak:m/z	Relative Intensity
57.03440	1.0
59.01385	13.7
61.98833	19.4
69.41151	0.5
71.01392	6.9
71.70636	1.0
72.99290	0.9
73.02954	1.7
78.95914	2.1
79.21911	0.6
83.01392	1.7
85.02967	2.5
89.02452	2.8
95.01444	0.9
101.02464	5.9
106.04033	0.5
108.01003	0.6
113.02460	2.4
117.17848	0.6
119.03490	1.0
152.99634	1.1
161.04680	0.7
171.10260	0.8
209.11978	3.0
210.12256	0.7
211.13422	1.8
212.13771	0.8
225.11378	0.6
227.12924	1.1
453.33804	9.9
454.34216	0.8
469.33560	3.8
470.33380	2.9
471.34439	10.8
472.35205	2.1
615.39172	33.4
616.39612	7.2
633.40283	9.8
634.40771	2.5
675.41455	100.0
676.41779	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	675.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03444	3.8
59.01379	7.6
61.98845	3.7
71.01389	9.2
72.13392	0.6
72.99310	4.4
73.02958	0.8
75.00874	9.4
78.95902	0.6
85.02965	11.1
87.00887	3.4
89.02433	1.4
95.01391	2.1
97.06602	8.0
99.00891	6.4
104.98013	0.8
111.00919	0.9
113.02464	9.2
115.00369	2.4
117.01936	1.2
122.52856	0.7
123.08170	6.3
125.09740	49.2
126.10068	1.7
129.01921	1.1
133.50867	0.6
147.82242	0.7
175.02531	1.5
187.09789	17.9
188.10054	1.2
193.66766	0.7
209.11873	0.9
222.66681	0.6
229.31116	0.7
249.06062	1.4
250.36143	0.6
255.23299	31.2
256.23740	3.3
261.13394	1.3
499.36157	1.8
505.30508	1.7
582.42633	0.7
613.39764	0.8
657.38727	1.7
675.39813	100.0
676.40186	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	675.378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01381	2.5
59.88230	0.2
61.98831	6.6
68.99815	0.7
71.01385	5.2
71.04063	0.7
72.99314	1.2
73.02951	0.5
75.00862	0.5
78.95934	0.2
82.38758	0.2
83.01395	1.7
85.02968	1.7
87.00883	0.6
88.98834	0.6
97.06611	0.4
99.00897	1.6
101.02457	0.8
111.00891	3.2
112.98827	6.5
113.02465	0.4
115.00381	2.1
124.98843	0.6
125.02464	0.3
129.01959	2.1
142.99864	4.2
145.01437	1.3
147.04509	0.5
151.11267	0.4
165.05563	0.4
169.12393	2.5
173.00902	3.2
175.02557	0.4
183.13866	0.6
201.11325	0.3
205.03537	5.1
209.11827	1.1
210.12073	0.3
210.46700	0.3
211.13403	2.8
227.12885	0.4
253.09198	0.4
385.07166	0.3
469.33215	100.0
470.33566	19.9
471.34827	4.6
472.35025	0.7
568.51947	0.3
643.33551	3.6
644.33649	0.8
657.33911	0.4
675.36517	1.4
676.37030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03843	0.2
53.49451	0.2
55.01876	1.4
57.03450	1.7
58.00597	2.7
59.01382	51.8
59.49576	0.2
60.01707	0.6
61.98832	2.6
67.01921	0.3
68.99820	0.7
69.03466	2.9
69.53580	0.6
69.53999	1.0
71.01388	44.8
72.01724	1.0
72.99319	2.8
73.02955	7.6
75.00885	0.9
78.95887	0.3
81.03461	2.3
81.73470	0.2
83.01391	5.4
83.01863	0.4
83.05026	0.5
85.02962	9.4
85.25011	0.2
86.00114	0.3
86.03278	0.2
87.00887	10.7
87.04533	0.4
87.37795	0.2
89.02457	36.1
90.02802	0.6
91.03989	0.9
93.03474	0.5
93.47319	0.2
95.01395	3.3
95.05060	0.5
97.02964	7.5
99.00892	2.9
99.04545	0.8
101.02457	34.9
102.02811	0.7
103.00408	0.3
103.04027	0.4
107.05107	0.2
109.02943	0.9
111.00909	0.7
111.04509	1.3
113.02470	16.8
114.02798	0.4
115.04002	0.9
119.03519	11.0
120.03864	0.2
121.02968	0.9
123.04567	0.3
124.01668	0.3
125.02465	14.3
126.02798	0.6
127.04073	0.6
127.07650	0.4
129.02007	0.3
131.03526	1.8
133.05070	1.4
137.02448	0.4
139.04034	0.8
141.01987	0.9
141.05576	0.2
141.09253	0.2
143.03520	6.8
149.02502	0.3
149.04596	0.9
157.05089	0.4
161.04584	8.0
162.05025	0.2
163.04089	0.2
167.03490	0.9
169.05054	0.4
171.03064	0.6
179.03430	0.3
179.05632	6.7
180.06042	0.3
181.05254	0.2
185.04608	0.8
191.03432	0.2
199.06146	0.6
203.05592	0.5
209.11810	0.3
210.88072	0.2
217.07130	1.4
219.05074	0.6
219.11110	0.2
221.06645	2.9
233.22771	0.4
235.08226	16.3
236.08618	0.9
245.06580	0.9
253.09282	3.6
259.20630	0.7
263.07617	1.9
275.20291	0.8
277.09467	1.3
277.21719	100.0
278.22067	9.5
278.25208	0.3
287.07745	4.0
291.23239	0.3
305.08820	4.2
306.08936	0.4
313.10059	0.2
323.09818	2.1
327.96600	0.2
349.08914	0.2
361.11475	0.6
379.12439	1.3
397.13528	92.6
398.13852	8.2
415.14584	38.4
416.14835	3.0
494.01202	0.2
497.00131	0.2
615.39252	0.2
675.35852	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	675.3566
Annotation	Acutissimatriterpene E
Peak:m/z	Relative Intensity
58.78538	0.4
59.01381	36.4
61.98831	4.5
71.71424	0.5
73.44948	0.4
96.80212	0.3
99.13631	0.4
111.03331	0.3
121.02975	53.3
122.03332	1.9
132.36212	0.4
163.34523	0.4
274.86530	0.3
468.06470	0.4
525.31958	0.7
553.31573	7.0
554.31995	1.3
564.48065	0.4
577.23230	0.4
624.19904	0.4
675.35608	100.0
676.35968	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	675.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03437	1.6
57.38858	0.4
58.00580	1.7
59.01381	43.2
60.01702	0.5
61.98835	14.9
68.99809	0.4
69.03467	2.8
71.01388	41.3
71.71340	0.6
72.01724	0.7
72.99309	3.7
73.02950	6.6
73.28793	0.3
75.00875	0.8
78.95905	1.1
81.03464	1.7
83.01395	5.5
85.02964	9.0
86.57895	0.3
87.00883	10.6
89.02454	35.9
91.04009	1.2
95.01394	3.5
97.02962	7.0
99.00901	3.2
99.04515	0.6
101.02454	34.3
102.02785	0.8
109.02964	0.9
111.00886	0.6
111.04522	1.1
111.55882	0.4
112.01666	0.5
113.02470	17.1
114.02753	0.6
115.04041	0.5
119.03516	11.0
121.02935	0.8
123.04520	0.5
124.01672	0.7
125.02465	14.5
127.03960	0.5
131.03485	1.9
133.05067	1.2
139.03986	1.1
141.01938	0.5
143.03513	8.0
149.04530	1.1
152.99597	0.8
161.04575	7.5
167.03448	1.0
169.05057	0.4
179.05632	7.5
180.05910	0.5
185.04585	0.7
189.07602	0.4
191.03831	0.5
209.11816	0.5
217.07155	1.3
219.05089	0.7
221.06612	3.1
235.08223	15.6
236.08508	0.9
245.06718	0.9
253.09315	3.9
263.07663	1.8
275.20032	0.7
277.09500	0.9
277.21719	100.0
278.22089	10.1
287.07724	3.7
305.08786	4.4
321.48575	0.4
323.09744	2.4
332.99374	0.4
349.70297	0.4
361.11337	0.7
379.12445	1.1
397.13522	98.3
398.08978	0.6
398.13895	8.0
415.14578	37.3
416.15027	3.7
469.33020	1.6
471.43750	0.5
485.33209	0.4
675.42120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03456	4.0
58.00564	0.9
59.01382	22.1
59.93668	0.5
61.98833	9.3
67.01883	1.3
68.99807	1.8
69.03434	1.8
71.01387	32.2
72.99316	6.6
73.02951	3.5
75.00878	19.8
79.05523	1.4
81.03438	1.5
83.01382	3.7
83.05009	1.0
85.02962	33.7
86.03278	0.6
86.76128	0.6
87.00399	0.8
87.00886	11.4
89.02447	8.5
91.03992	1.2
93.03449	2.3
93.07079	0.7
95.00822	0.7
95.01398	7.0
95.05037	1.2
97.02943	0.7
98.20656	1.1
99.00894	12.0
99.04503	0.5
101.02459	6.4
103.00419	2.9
107.01409	1.1
107.05030	1.3
109.02948	0.8
111.00883	1.8
111.04491	0.7
113.02465	45.6
114.02741	1.3
115.00401	2.6
117.01971	2.6
119.05011	0.9
121.02947	0.7
122.06072	0.9
124.01694	1.0
125.02428	2.3
125.06098	0.7
127.04034	0.7
129.01936	2.1
131.03543	0.8
133.02930	1.6
134.03683	0.6
135.04527	2.2
137.02409	1.0
139.00363	0.6
145.10315	0.7
149.02415	0.8
149.04564	0.9
151.00410	3.0
152.01134	2.8
153.01965	0.6
157.01445	1.4
159.11795	0.7
161.02515	4.7
161.04570	1.4
161.13380	11.5
162.02875	0.6
162.13741	1.3
163.15820	0.5
165.01932	0.6
165.05588	1.0
169.01366	0.5
175.02567	3.1
175.03883	1.0
177.05565	0.8
178.99873	3.4
179.03506	1.5
187.09741	1.0
187.11296	12.1
188.11693	0.9
189.05637	0.7
191.54514	0.7
193.07201	4.1
195.06630	0.6
200.05002	0.6
204.06741	1.3
205.07167	6.5
205.10478	1.1
205.12360	15.5
205.14261	1.1
206.12643	1.4
207.05157	1.3
209.11789	1.5
211.13448	0.7
213.09116	1.2
215.07173	2.7
221.04582	0.7
229.95674	0.6
231.05045	0.7
231.10201	1.7
241.05231	0.7
249.06145	15.4
249.08749	0.8
250.06422	0.6
267.07199	75.1
268.07587	4.4
269.04230	0.6
271.05991	1.0
311.09302	0.7
361.16772	1.5
379.08228	0.8
393.19534	1.3
425.18231	0.9
437.17892	2.5
453.21710	1.0
481.17142	5.0
534.21051	0.7
657.24762	1.6
675.25610	100.0
676.25928	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	673.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45971	0.2
59.01380	3.0
61.98835	7.1
62.05414	0.2
68.41000	0.2
69.60130	0.5
69.60542	1.6
71.01384	4.5
72.37330	0.2
73.02956	1.0
78.95927	0.5
83.01402	0.4
83.05058	0.4
85.02932	0.3
87.00919	0.4
89.02464	0.7
97.02959	0.5
98.20816	0.2
101.02452	1.9
109.06625	1.1
113.02464	0.5
118.88346	0.2
124.29582	0.2
125.09688	0.2
135.08197	0.3
136.99559	0.2
138.35913	0.2
152.99677	0.3
161.04637	0.4
163.11290	0.9
171.10350	0.9
183.13913	0.6
185.11850	0.3
199.13383	1.2
201.11296	0.5
207.10301	2.5
209.11819	5.2
210.12158	0.5
211.13425	6.3
212.13829	0.4
221.06740	0.2
225.11336	1.5
227.12912	2.3
228.13333	0.3
235.08151	0.3
253.09355	1.1
401.23453	0.4
419.24374	0.4
451.32181	100.0
452.32501	18.5
461.20557	0.7
503.27158	0.2
515.34088	0.3
637.32678	0.7
655.33551	0.8
673.41235	3.9
674.40387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
58.00590	0.2
59.01379	2.2
59.01670	0.1
61.98833	1.3
68.99825	0.1
69.03461	0.1
71.01385	1.8
71.05039	0.2
71.70660	0.1
71.70988	0.2
73.02946	0.4
73.03292	0.1
75.00848	0.1
75.01237	0.1
80.02683	1.1
81.03470	1.1
83.01405	0.4
83.05032	4.2
84.02177	0.7
85.02952	0.5
85.67603	0.1
87.00900	0.4
89.02454	1.4
92.12103	0.1
93.03470	0.2
95.05060	0.8
97.02957	0.1
97.06595	0.3
99.00914	0.1
101.02452	1.7
109.06606	0.3
113.02460	1.2
114.19374	0.1
119.03537	0.3
121.06662	0.1
123.08183	0.2
125.02431	0.1
125.06097	0.5
125.09770	0.3
133.05121	0.1
135.08168	0.7
139.07654	0.1
143.03481	0.2
145.05087	0.2
147.11794	0.3
149.09773	0.1
161.04596	0.8
163.11310	3.6
163.12686	0.2
164.11699	0.1
165.12856	2.2
171.10295	1.5
172.10661	0.1
179.05687	0.2
181.12392	0.5
185.11845	0.2
191.10800	0.9
199.13405	0.5
203.91965	0.1
207.10323	0.2
209.11844	100.0
210.12172	6.2
211.13377	0.3
221.11810	0.2
223.13312	0.2
225.11465	0.2
227.12897	14.0
228.13193	0.8
229.14413	0.1
235.08238	1.6
236.08658	0.1
247.10976	0.1
247.13399	0.9
249.15167	0.1
251.12984	0.1
253.09296	5.7
254.09595	0.3
265.14465	0.3
375.21481	0.1
401.23331	0.3
407.19373	0.1
419.24463	0.3
437.25327	0.1
445.20874	1.0
446.20837	0.1
463.21826	0.3
483.22183	0.1
593.29248	0.2
611.30847	0.2
637.32446	0.9
638.32739	0.2
655.33295	0.4
673.33167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.1
59.01381	0.9
61.98835	100.0
62.98536	0.2
65.74478	0.1
67.38247	0.1
68.57347	0.1
70.40169	0.1
71.01399	0.5
71.28823	0.1
71.29144	0.1
73.02954	0.2
75.00856	0.1
83.05050	0.1
85.02965	0.2
89.02478	0.2
97.06549	0.1
99.00883	0.1
101.02454	0.4
109.06585	0.1
113.02484	0.2
119.03513	0.1
125.02505	0.1
163.11346	0.2
165.12874	0.1
171.10342	0.2
181.12479	0.1
182.16888	0.1
183.13947	0.6
185.11942	0.2
199.13477	0.3
207.10336	0.4
208.10548	0.1
209.11853	2.4
210.03357	0.1
210.12277	0.2
211.13452	0.7
225.11334	0.5
226.11731	0.2
227.12901	0.6
243.12468	0.1
253.09326	0.2
306.02319	0.1
403.02005	0.1
461.20599	0.1
493.25485	0.1
535.48248	0.1
612.35016	0.2
630.36200	0.2
631.36536	0.1
636.30994	0.1
654.32410	0.2
672.32703	0.6
673.34003	1.0
690.20483	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25904	0.4
54.13925	0.4
57.03445	0.8
58.00594	1.5
59.01379	9.1
61.98835	10.8
69.03467	0.5
69.51292	4.4
71.01387	52.5
71.05018	0.9
72.01704	0.5
73.02968	2.6
75.00861	0.6
78.95895	1.0
80.02672	1.0
81.03472	1.9
83.01389	1.2
83.05022	3.5
85.02972	3.2
87.00886	3.0
89.02459	5.4
95.01413	0.9
95.05061	1.1
96.47800	0.4
97.02968	4.1
97.06615	0.7
98.20656	0.9
99.00906	2.8
101.02458	7.6
107.05018	0.8
109.06606	8.7
110.03766	0.8
113.02466	4.3
119.03536	1.1
121.06609	0.7
123.08146	0.8
125.02454	1.2
125.06067	0.6
125.09721	1.9
127.11314	0.8
129.01939	0.6
135.08194	1.9
136.05350	1.0
137.02419	0.6
137.09677	0.6
142.02727	0.9
143.03508	0.9
145.05072	1.3
148.71022	0.4
152.99504	0.5
153.12885	0.5
155.10785	0.8
161.04581	2.6
161.09702	0.8
163.11305	8.2
164.11638	0.6
165.09177	0.6
165.12874	2.5
167.10818	0.6
167.14433	0.7
169.12408	0.8
171.10309	7.0
171.11702	0.9
171.14030	0.5
179.05534	0.7
181.12392	4.6
183.10300	0.9
183.13919	10.7
184.14200	0.7
185.11832	3.5
189.09225	1.2
191.10812	0.8
193.12303	2.0
197.11896	0.9
199.09787	0.7
199.13425	14.1
200.13708	0.6
201.11340	7.2
207.10280	27.2
208.10603	1.8
209.11842	45.8
210.12173	3.6
211.13406	100.0
212.13734	6.8
215.12849	1.7
221.11888	0.5
221.15511	0.7
225.11331	20.6
226.11580	1.3
227.12900	43.2
228.13228	2.2
229.14433	1.4
235.08194	5.7
235.13475	1.3
243.12357	1.7
245.13963	0.8
247.13371	1.4
249.14978	1.1
251.12811	0.7
253.09271	13.9
253.14447	0.9
263.66455	0.5
265.14319	0.8
277.09393	0.6
311.22293	2.2
339.23392	1.2
355.22842	0.6
357.24405	1.2
373.23770	2.3
375.25708	0.5
383.22327	2.8
391.24832	2.2
392.15332	0.5
401.23380	6.0
402.23572	1.0
419.24408	4.4
433.20767	0.5
437.25107	0.7
443.19308	1.6
445.20575	0.8
447.22342	1.4
461.20300	5.4
463.21887	6.9
464.22113	0.7
471.76395	0.6
479.21481	0.8
619.31384	0.6
637.32330	6.5
638.32983	1.3
655.33337	10.4
656.33881	3.4
673.34485	12.1
674.35052	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
50.90997	0.5
55.01883	2.5
57.03456	1.6
59.01383	14.0
61.98830	15.5
64.44129	0.5
65.83836	0.5
69.03453	0.5
71.01388	34.7
71.70988	1.0
72.01720	0.6
72.41882	0.5
72.99315	1.8
73.02956	10.7
73.37585	0.6
83.01398	4.9
83.05047	0.7
85.02440	0.8
85.02960	15.0
86.03309	0.5
87.00887	1.8
89.02461	7.0
90.40944	0.5
95.01390	2.8
97.02964	2.1
99.00891	5.0
101.02461	29.5
102.02758	0.5
113.02468	15.5
119.03532	2.4
125.02460	2.0
129.01944	0.7
143.03535	2.1
152.45717	0.6
159.03006	2.6
161.04573	15.2
163.11308	0.8
179.05652	1.7
193.50839	0.5
205.03569	1.0
207.10236	1.8
209.11858	4.5
210.12184	0.6
225.11208	1.4
227.12811	0.8
245.06664	0.6
250.03853	0.6
327.33182	0.5
447.76474	0.5
449.23425	0.8
449.29147	7.9
450.29391	1.1
461.20383	0.6
493.27432	0.5
529.31598	0.7
611.34521	100.0
612.34912	22.4
671.22485	1.0
671.31604	2.5
692.98962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19162	0.5
58.65009	0.7
59.01376	2.1
61.98840	1.0
65.00312	1.1
67.65992	0.5
70.00067	2.8
71.01385	1.2
88.98813	0.6
89.22555	0.5
101.02483	0.6
107.01427	2.0
108.02245	1.2
121.02976	1.2
125.02474	0.7
147.04494	2.8
148.01665	0.8
148.04817	0.8
151.00386	7.0
163.00348	1.6
164.01126	0.8
165.05594	3.7
166.05994	1.0
169.01448	1.0
178.99898	4.0
179.03590	0.6
199.04024	0.7
207.06664	2.7
208.06889	0.7
216.04393	0.7
226.02768	1.3
227.03488	2.5
228.03673	0.6
243.02966	7.2
254.02266	1.5
255.02975	20.5
256.03427	1.4
271.02469	41.4
272.02899	4.5
300.02762	90.6
301.03421	24.7
302.03873	1.8
392.40353	0.6
609.14752	100.0
610.15070	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	670.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03450	1.0
58.00578	0.6
59.01381	62.3
60.01717	0.9
60.53754	0.5
60.99298	0.9
61.98833	100.0
64.54671	0.5
69.03477	1.5
69.66641	0.6
71.01387	30.1
72.01722	0.7
72.99322	2.0
73.02952	24.9
74.03288	0.8
75.00885	1.6
76.51958	0.5
83.01398	8.9
83.01881	0.8
85.02966	7.2
86.03296	0.6
87.00916	1.0
88.98817	4.5
89.02460	9.1
93.03534	0.8
95.01408	2.5
97.02982	1.1
98.19916	0.9
99.00896	0.8
99.04537	0.6
101.02457	36.4
102.02808	0.8
109.03020	0.7
111.00874	2.6
113.02464	22.6
115.00379	0.7
116.92941	0.6
119.03510	6.1
121.03011	0.8
125.02481	5.6
131.03522	5.4
133.02983	3.0
134.03732	0.8
135.04562	0.7
137.02454	0.6
142.06667	2.3
143.03535	4.5
145.03001	1.6
145.08644	0.6
147.04564	0.9
149.02502	0.9
149.04556	6.4
149.05644	0.5
150.03192	1.2
151.00386	1.2
151.04070	0.6
152.01146	0.6
153.01971	1.0
155.03574	0.9
160.01698	0.5
161.02528	4.9
161.04591	12.3
161.05870	1.1
162.02896	0.8
163.04060	1.0
165.05638	1.8
167.03455	0.6
174.03217	0.7
175.04079	1.3
177.01965	1.2
177.05315	0.5
177.27681	0.5
178.99907	0.6
179.03572	1.4
179.05612	0.7
183.14149	0.5
186.05681	1.2
190.02823	0.7
193.05038	1.1
193.07248	0.7
199.04205	0.5
203.05762	1.5
204.06712	1.3
217.05128	0.6
219.42604	0.4
221.06705	2.3
224.04837	0.6
236.49326	0.6
239.10945	0.8
240.73056	0.5
241.05099	0.8
241.08801	0.8
246.07823	0.9
255.10239	2.9
256.10739	0.6
257.04602	0.7
266.05881	1.2
269.12033	1.2
270.01169	0.5
270.12555	1.0
282.09155	0.5
283.09769	11.3
284.03378	0.6
284.10245	1.3
285.04080	5.5
294.09103	0.7
295.09872	1.4
296.10471	1.6
297.11389	1.0
298.12317	1.7
303.05048	4.8
310.12180	0.7
311.09274	32.8
312.09525	3.3
325.10703	4.1
326.11594	25.2
327.11920	2.9
341.13953	47.2
342.14243	6.0
441.86011	0.6
485.33023	1.2
525.18591	0.5
566.26959	1.7
635.28601	0.6
670.34570	0.8
671.24231	1.0
685.79895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35497	0.4
57.03444	1.2
58.00579	0.4
59.01379	8.4
63.05231	0.3
65.30788	0.3
65.99494	0.3
68.99802	0.5
71.01389	8.1
72.99308	2.8
73.02943	0.7
75.00878	11.0
76.83791	0.4
83.01387	0.5
85.02962	12.1
86.03278	0.5
87.00883	3.7
89.02450	2.8
93.03488	0.6
95.01396	2.4
95.32196	0.3
98.19810	0.6
99.00892	5.8
101.02463	0.9
103.00388	1.0
111.00916	0.4
113.02463	13.5
114.02785	0.4
115.00383	0.8
115.07667	68.3
116.08001	3.1
117.01926	2.3
129.01930	0.7
131.03447	0.4
142.06615	1.1
142.99879	1.3
157.01443	0.5
167.07115	0.6
173.00891	0.5
174.01689	0.5
175.02475	1.2
204.06667	1.0
205.07103	0.6
229.63368	0.4
231.05064	1.5
249.06152	8.7
267.07260	1.1
305.12381	0.5
347.13507	1.3
365.14539	100.0
366.14871	9.4
598.62994	0.4
669.27856	0.6
691.58966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03447	1.9
58.00603	1.3
59.01380	24.0
60.01717	0.3
61.98831	6.3
64.91941	0.1
65.37800	0.1
67.01902	0.2
68.99831	0.2
69.03466	0.6
71.01386	30.1
71.71365	0.2
72.01723	0.6
72.99312	2.7
73.02534	0.3
73.02950	6.6
75.00887	1.0
76.47265	0.2
79.63287	0.1
83.01393	5.1
83.01866	0.3
83.05062	0.2
85.02959	14.0
86.00110	0.3
86.03312	0.3
87.00887	1.6
88.98814	0.5
89.02454	11.5
93.03470	0.3
95.01394	2.9
97.02947	0.8
99.00893	3.1
101.02457	20.1
102.02811	0.6
108.02193	0.3
109.02968	0.3
111.00895	2.8
113.02465	11.3
114.02818	0.4
114.48105	0.1
117.03496	1.7
117.04263	0.3
119.03521	3.7
119.04961	1.0
119.20994	0.1
121.03002	0.5
122.03757	0.3
123.00887	0.2
124.01662	0.2
125.02464	0.9
127.00362	0.2
129.01947	0.8
131.03595	0.3
132.02208	0.2
133.02975	0.5
134.03767	0.6
135.03014	0.2
135.04556	0.5
137.02451	0.2
139.00444	0.3
141.01941	0.4
143.03535	0.6
145.02968	5.8
146.03302	0.8
147.04567	0.3
150.03226	0.2
151.04027	0.3
152.01160	0.3
153.02016	0.3
159.03012	1.6
159.04289	0.2
160.01630	0.7
161.02509	1.4
161.04575	2.5
161.05898	0.2
163.04056	1.0
164.04485	0.2
165.05595	1.3
167.03568	0.2
173.70802	0.2
175.02670	0.2
175.04044	0.9
179.03522	0.3
179.05652	0.6
179.07072	0.3
190.02737	0.3
193.05072	0.6
195.06677	0.2
199.68254	0.2
205.05092	0.3
209.11934	0.2
235.05972	0.2
294.97003	0.2
299.26062	0.4
303.10547	0.2
307.08200	2.8
308.08554	0.6
345.30099	1.3
346.13904	0.2
347.14899	0.5
361.16675	1.0
407.98047	0.2
421.24265	0.5
471.26016	0.5
489.33627	0.2
503.31940	0.3
507.35428	7.7
508.35605	1.2
521.32916	0.3
607.20795	0.5
669.40741	100.0
670.27570	0.6
670.41089	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	669.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85800	0.3
55.01878	0.8
57.03450	0.9
58.84472	0.4
59.01383	19.9
61.98835	18.3
63.63659	0.4
64.80296	0.4
71.01389	11.0
72.99326	1.1
73.02959	2.6
75.00869	0.8
83.01402	2.4
84.39703	0.4
85.02962	6.0
86.03202	0.4
87.00890	0.7
88.98800	0.9
89.02456	3.8
93.03477	1.6
95.01408	1.2
98.19814	0.8
99.00890	2.1
101.02464	7.4
108.02184	0.5
108.22547	0.3
109.02984	2.5
111.00909	1.8
113.02458	3.9
117.03487	22.6
117.92943	0.4
118.03850	0.7
119.03546	1.4
119.05045	17.8
119.05909	0.9
120.05439	0.7
121.02979	6.9
122.03790	5.0
123.04532	1.1
124.01688	0.4
125.02440	1.3
129.01903	0.6
129.03442	0.6
132.02162	0.5
133.02992	1.2
133.06642	0.4
134.03827	1.8
135.04561	2.5
136.05307	0.5
137.02460	2.4
142.06610	0.5
145.02975	100.0
146.03322	4.0
147.04526	4.1
148.05122	0.4
149.06085	0.7
150.03242	1.0
153.01953	0.5
154.02727	1.2
159.04485	0.5
160.01680	2.2
161.02501	3.0
161.04771	1.9
161.05864	1.9
163.04037	16.0
163.07549	0.4
164.04446	0.6
165.05595	13.7
166.06049	0.8
167.03470	0.5
173.06081	0.4
175.02583	0.5
175.04051	2.7
175.07628	0.5
177.05560	0.5
178.06316	0.4
179.03577	0.8
179.05634	0.8
179.07150	4.2
187.04041	1.2
191.07188	0.9
193.05069	1.0
205.05122	0.9
207.06514	0.4
219.13885	0.7
223.09862	0.8
247.06154	1.1
255.03033	0.5
271.02466	0.8
292.34131	0.4
294.34787	0.4
298.12051	0.5
300.02673	1.1
301.10858	0.4
307.08234	58.6
308.08630	4.5
313.14490	0.4
315.12375	1.2
322.62762	0.4
346.14172	4.3
347.14966	6.1
348.15289	1.1
361.16577	25.2
362.16919	2.6
366.58554	0.4
471.25818	0.9
471.35025	0.6
486.94855	0.4
507.35416	2.4
651.22681	0.4
668.39001	0.5
669.25757	37.9
669.40680	17.1
670.25989	8.6
670.41040	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	667.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17562	0.2
55.01880	1.8
55.03189	0.2
57.03445	2.5
58.00599	1.8
59.01381	33.7
59.30362	0.2
60.01717	0.4
61.98833	4.7
69.59026	0.9
69.59440	0.7
71.01387	35.2
71.05057	0.2
72.01714	0.6
72.99313	2.7
73.02956	6.1
75.00879	0.6
81.03469	0.2
83.01396	4.1
84.02156	0.3
85.02961	12.4
86.00136	0.3
86.03291	0.3
87.00879	2.7
88.98804	0.4
89.02454	17.3
95.01402	3.1
97.02958	0.4
97.66978	0.2
98.20719	0.2
99.00890	2.6
101.02458	22.7
102.02785	0.3
111.00903	1.6
113.02464	12.3
114.02821	0.5
116.92841	0.3
117.03505	0.6
119.03522	6.0
119.05023	0.9
125.02492	0.8
127.00375	0.3
129.01952	0.5
131.03540	0.7
133.02954	0.3
133.06656	0.2
135.04541	0.3
139.00407	0.3
143.03566	1.0
145.03009	1.9
147.04539	0.2
149.04588	0.3
149.13429	0.3
150.03317	0.2
154.07152	0.2
157.12340	0.3
158.95561	0.2
159.03044	0.9
160.01752	0.2
161.02521	1.2
161.04572	3.1
161.05933	0.4
162.02704	0.2
163.04062	1.0
165.05598	0.4
166.39857	0.2
167.03539	0.4
175.03958	0.3
177.05602	0.2
179.05646	1.8
204.06598	0.3
205.05104	0.8
221.08247	0.2
235.06100	0.8
265.07071	1.8
311.09335	0.4
325.09418	0.4
326.11636	0.5
341.14069	0.3
343.28479	0.6
443.31696	0.5
474.16379	0.3
478.19852	0.2
487.32620	1.4
505.33786	9.6
506.20074	0.2
506.33954	1.2
605.15198	0.2
605.39935	0.3
631.28070	0.3
667.39203	100.0
668.39545	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95784	0.3
58.00585	0.8
59.01380	14.9
61.98833	6.1
71.01388	19.3
71.05019	0.6
72.99313	1.0
73.02953	0.9
75.79215	0.3
83.01369	1.0
83.05066	0.4
85.02950	1.4
87.00879	1.0
89.02457	23.0
95.01424	0.5
95.63801	0.3
97.02908	0.4
98.20635	1.1
101.02451	11.3
101.03085	0.7
101.84174	0.4
104.92841	0.7
113.02460	5.7
119.03530	4.9
121.26007	0.3
125.02389	0.4
131.03520	1.8
143.03519	2.5
149.04572	1.9
161.04587	3.2
165.05563	0.4
173.28610	0.4
179.05630	16.5
180.05984	0.6
407.33215	1.3
425.34134	0.8
427.32098	0.6
443.35349	0.7
469.33142	10.0
470.33105	1.8
487.34296	100.0
488.34601	17.8
631.38617	8.0
632.38928	1.6
649.38184	0.4
667.39551	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	667.3711
Annotation	Cilistol pm
Peak:m/z	Relative Intensity
55.39845	0.3
57.03447	0.8
59.01386	2.3
61.98834	10.2
70.76749	0.2
71.01388	3.1
72.99306	0.3
73.02943	0.6
83.01411	0.5
83.05020	0.3
85.02959	1.4
87.00894	1.3
89.02474	0.7
95.01420	0.4
95.05036	0.7
97.06600	3.6
99.00854	0.4
99.04562	0.4
101.02464	1.6
104.51820	0.2
110.76673	0.3
111.04554	0.4
111.08177	1.0
113.02472	1.0
113.09758	0.8
119.03545	0.3
123.08184	6.1
124.08501	0.4
125.09737	0.3
129.05664	0.3
135.08183	1.7
141.09264	1.1
142.24805	0.3
149.06073	0.4
150.06895	3.3
152.08441	0.6
153.12889	0.8
155.13678	0.3
157.08707	0.3
161.02477	0.4
162.91940	0.3
163.07677	61.4
164.08000	2.8
169.12419	0.3
170.59430	0.3
176.08456	0.6
187.09790	0.8
201.11403	1.7
206.64740	0.3
225.11375	0.6
229.10829	1.2
230.85220	0.3
230.87279	0.4
233.19128	0.3
277.21790	0.9
289.21805	0.3
317.21091	1.4
341.23358	14.7
342.23630	1.6
423.28909	1.5
441.30130	1.5
444.28824	0.7
459.31134	2.0
460.31598	0.4
497.74985	0.3
504.30811	2.3
505.31726	23.8
506.32016	5.0
523.25006	0.3
631.36627	0.4
667.37115	100.0
668.37457	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18320	0.3
57.03455	0.5
58.81613	0.3
59.01380	9.1
61.37096	0.3
61.98838	1.6
71.01376	2.5
71.71658	0.4
72.99312	2.7
73.02943	0.6
75.00859	0.6
83.01363	0.4
85.02953	1.3
87.00887	0.8
89.02460	1.0
93.03462	0.5
94.02970	0.6
96.95976	0.4
97.03023	0.3
99.00868	0.6
101.02455	1.5
111.00917	0.5
113.02452	1.4
116.05079	4.4
116.92856	0.5
117.05374	0.4
119.05032	0.4
120.08214	0.3
122.06114	1.3
123.04533	0.5
125.02496	0.8
128.05057	1.0
130.06644	2.0
132.04549	0.5
133.02975	0.6
134.03764	0.8
135.04550	1.2
137.02399	0.6
142.06641	100.0
143.03490	0.4
143.06967	5.6
144.04575	2.6
147.04567	0.8
148.07733	0.4
149.02437	0.4
150.03271	0.8
151.00374	0.6
158.06125	11.1
160.01665	1.0
161.02457	2.3
162.05602	1.3
165.05589	1.5
167.03494	0.7
172.04150	0.4
175.03969	1.3
179.03528	1.3
180.04033	0.4
186.05617	43.0
187.05940	2.7
188.03539	1.5
193.05055	0.9
203.05931	4.4
204.06667	70.8
205.05240	0.6
205.07002	3.6
207.06482	0.6
220.06233	0.4
221.04547	0.4
234.07689	0.4
235.06267	0.6
235.08447	3.2
236.09297	0.4
238.07417	0.6
246.07697	43.3
247.08093	2.3
251.11906	0.6
255.02802	0.8
256.03543	0.4
264.08447	0.5
266.06509	0.4
267.07455	3.4
277.09753	0.6
281.06693	0.5
284.02859	0.5
285.03784	0.9
286.04486	0.5
325.11862	1.4
345.14590	2.7
357.14554	10.8
358.14996	1.5
361.16687	0.9
375.15604	12.2
376.15915	1.7
419.17444	0.4
461.24063	0.9
476.18350	0.5
505.13379	0.7
594.15320	1.2
606.26801	0.6
634.25653	0.5
648.26697	0.4
666.29211	0.9
667.27240	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	665.3914
Annotation	Cyclopassifloside VI
Peak:m/z	Relative Intensity
51.76945	0.2
59.01384	6.8
61.98835	9.4
62.43885	0.2
69.50142	0.2
70.08643	0.2
71.01391	9.5
71.05023	1.5
71.71267	0.2
72.99313	0.5
73.02945	0.5
73.10046	0.2
83.01392	0.8
85.02943	0.6
87.00878	0.7
89.02460	10.1
101.02464	7.4
104.92831	1.1
106.94405	0.3
113.02487	2.4
119.03524	2.6
131.03522	0.9
143.03540	1.3
149.04599	1.1
161.04588	1.9
179.05638	7.2
180.06047	0.4
183.03639	0.2
214.30487	0.3
369.28003	0.5
370.75357	0.3
377.28525	0.7
391.29990	0.4
393.31760	0.8
403.30038	0.4
405.31781	0.3
407.29590	0.4
421.30646	0.3
423.32971	1.5
425.30594	1.2
426.30994	0.3
437.30719	1.2
438.31134	0.3
441.33929	1.0
442.34320	0.3
465.30499	0.4
467.31662	13.6
468.31989	2.3
485.32742	100.0
486.33087	19.9
503.33209	0.4
665.24426	0.7
665.38379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3913
Annotation	Arjunglucoside I
Peak:m/z	Relative Intensity
59.01380	3.7
61.08159	0.2
61.98835	2.6
64.25348	0.2
71.01384	3.8
71.71805	0.3
83.01401	0.4
85.02930	0.3
87.00912	0.3
87.87916	0.2
89.02465	3.8
93.83233	0.2
101.02459	3.4
103.92050	0.7
113.02463	0.9
119.03529	1.3
131.03508	0.5
143.03467	0.3
149.04547	0.5
151.03844	0.3
161.04590	0.8
167.03566	0.3
175.11307	0.2
178.89264	0.3
179.05653	3.3
189.12907	0.3
230.60590	0.2
235.09773	1.2
266.94611	0.2
355.26456	0.9
363.99078	0.2
377.28479	0.5
379.30231	0.3
413.34171	0.4
423.28214	4.4
423.33191	1.7
424.29028	0.6
439.32178	11.6
440.32553	1.9
441.33817	3.2
442.34164	0.5
467.31540	0.7
471.34897	0.5
483.30960	0.8
484.31549	0.3
485.32724	100.0
486.33087	19.0
603.35754	0.3
606.39142	0.4
615.48340	0.3
665.23895	0.8
665.48029	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	665.3918
Annotation	Quadranoside II
Peak:m/z	Relative Intensity
57.03453	0.8
58.00595	3.4
59.01380	54.7
60.78742	0.5
60.99286	0.6
61.98833	26.3
63.92801	0.5
67.28255	0.4
68.81448	0.5
68.99827	0.5
71.01388	39.3
71.71376	0.8
72.01740	0.6
72.99318	4.2
73.02949	1.6
83.01394	2.0
85.02966	8.4
87.00891	1.4
88.98804	1.1
89.02456	35.0
90.02792	0.6
95.01381	2.9
97.02961	0.5
99.00896	1.5
99.66885	0.5
101.02460	23.8
105.13060	0.6
111.00917	0.5
113.02466	15.0
116.92885	1.4
119.03524	14.4
131.03522	1.4
143.03535	1.8
149.04543	0.9
161.02504	0.6
161.04568	1.7
171.10265	1.0
179.05597	4.9
215.27307	0.6
225.11162	0.6
298.35315	0.5
315.15720	0.5
371.63889	0.5
441.87869	0.6
502.32700	1.4
503.32977	4.7
629.35718	6.8
630.36292	2.6
665.39923	100.0
666.40350	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	665.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34655	1.0
53.87026	1.0
55.01857	1.1
55.72589	1.1
57.03427	1.8
59.01378	18.3
61.48704	1.0
61.70316	1.0
61.98834	33.8
71.01053	1.1
71.01386	16.7
71.16819	1.1
71.70891	1.2
71.71325	1.2
72.99316	1.3
73.02931	2.6
77.76575	1.0
83.01376	1.6
83.90486	1.1
85.02953	6.4
88.98773	1.2
89.02459	9.6
94.39455	1.2
101.02460	11.7
113.02460	6.3
116.92854	5.1
119.03465	4.4
133.02887	1.3
159.02922	1.3
161.02345	1.3
161.04462	3.2
171.10172	1.4
174.09720	1.0
179.05560	2.2
312.85040	1.4
629.26501	1.4
629.35382	18.2
630.35352	2.8
647.28937	1.6
665.32495	100.0
666.32959	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	665.3918
Annotation	Arjunglucoside I
Peak:m/z	Relative Intensity
55.30557	0.2
59.01376	0.4
60.99322	1.1
61.98831	0.5
71.01385	1.0
71.04289	0.6
89.02457	0.6
101.02461	0.8
101.06842	0.2
137.29106	0.2
137.34433	0.2
179.05656	0.5
188.74316	0.2
202.62024	0.2
423.32736	7.9
424.33066	1.3
485.32724	100.0
486.33063	18.2
486.40314	0.5
536.10394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3912
Annotation	Arjunglucoside I
Peak:m/z	Relative Intensity
51.93608	0.2
52.27658	0.2
58.00595	0.3
59.01377	5.6
60.99308	1.1
61.98826	1.6
69.50755	0.9
69.51189	0.9
71.01385	6.6
72.99318	0.4
73.02944	0.4
73.26855	0.2
74.71242	0.2
79.20731	0.2
83.01389	0.4
85.02944	0.4
87.00894	0.2
89.02454	8.1
101.02453	4.6
102.15054	0.2
103.92056	0.4
104.92811	0.4
112.63287	0.2
113.02452	2.0
119.03517	1.7
131.03513	0.6
143.03513	0.8
144.23006	0.2
149.04555	0.7
154.45993	0.2
161.04575	1.1
179.05620	5.2
223.13400	0.3
228.54179	0.2
235.09755	0.6
301.00128	0.2
342.29175	0.3
423.32697	10.7
424.33240	1.8
471.34763	0.5
483.30771	0.3
485.32706	100.0
486.33063	19.6
486.40414	0.5
487.33270	0.3
610.00977	0.2
665.23883	0.5
665.39447	0.5
665.48126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03450	5.1
58.00574	1.9
59.01382	92.7
61.98833	16.1
71.01389	68.7
71.26762	3.1
72.01726	1.7
72.99318	2.8
73.02955	16.2
83.01398	7.9
85.02959	27.9
87.00900	6.6
87.04514	2.5
89.02457	23.4
91.46824	1.1
94.03017	4.8
95.01403	4.6
96.96004	1.5
97.02976	2.9
99.00900	5.4
101.02459	38.4
111.00903	3.7
113.02468	30.1
115.00411	2.1
117.03518	1.8
119.03519	9.0
120.08214	4.8
121.03015	1.3
122.06107	1.5
125.02476	5.7
125.03328	1.1
129.01942	3.0
131.03540	1.6
132.02228	2.1
133.02977	33.3
134.03767	1.6
135.04546	20.7
137.02493	3.5
138.05663	1.9
139.28355	1.1
141.70277	1.3
142.06673	5.2
143.03539	4.9
145.02974	2.7
147.04546	1.7
149.06174	3.1
151.00394	4.5
159.03021	2.6
160.01657	1.9
161.02467	100.0
161.04431	10.7
162.02832	5.8
165.05547	2.7
166.02757	4.3
175.02560	2.6
175.04007	2.5
177.05609	4.2
178.02686	1.3
178.99899	2.6
179.03516	20.2
179.05618	2.7
179.56242	1.2
181.05101	4.4
186.05637	1.6
187.04037	1.3
187.06042	1.5
187.07637	2.0
187.85637	1.1
193.05057	1.4
200.98892	1.2
204.06682	4.8
205.06969	1.5
215.07086	1.9
221.04526	6.4
237.10274	1.3
243.03009	3.7
244.03430	1.3
246.07701	1.5
251.05585	3.0
251.11728	1.7
255.02919	10.2
271.02505	20.0
272.02908	1.8
281.06717	4.1
291.11508	2.3
292.12228	3.7
293.13000	2.3
300.02765	40.3
301.03128	6.2
303.03909	1.2
338.86063	1.2
386.18933	1.3
387.10681	1.3
395.97824	1.2
399.23947	7.6
414.18173	1.2
417.15808	6.8
417.24805	6.6
418.25354	1.7
503.15622	1.4
508.21072	3.2
545.23846	7.3
559.05884	1.5
561.29266	97.9
562.29620	19.1
573.23444	3.1
575.25000	49.5
576.25531	8.1
579.15204	2.0
579.30243	70.4
580.30658	10.7
587.24615	5.5
605.26135	10.0
606.26239	3.1
615.24792	1.7
621.14905	28.8
621.31219	24.3
622.15033	4.7
622.31848	5.4
629.26196	14.9
630.26624	1.6
633.25751	5.3
647.26593	2.5
665.19922	3.5
665.28015	10.3
666.28406	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	665.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.7
59.01366	5.8
59.36152	1.0
60.43382	0.9
61.98825	3.6
71.01409	1.7
71.20546	2.9
82.02975	5.1
83.01408	1.1
89.02454	1.3
92.05080	1.4
94.02998	83.7
94.06635	1.5
95.03323	1.8
95.04996	1.1
96.04565	6.3
99.04528	3.6
101.02465	3.9
105.05853	2.9
107.03806	1.1
108.04561	4.7
110.06130	13.4
120.08212	67.0
121.05348	2.2
121.08643	2.2
122.06139	24.4
122.43503	1.0
124.04058	1.8
124.07690	1.1
125.02436	2.0
133.02930	1.2
134.06142	2.4
135.04530	1.5
136.04076	2.6
137.04837	2.7
138.05637	38.6
139.05901	1.1
142.06529	1.1
144.04576	8.5
150.05589	2.7
152.07217	1.8
160.04095	1.1
161.04709	2.0
162.05612	3.5
164.07242	5.6
174.05609	7.6
175.03952	1.3
188.03564	3.3
203.05888	11.5
204.06544	3.9
209.10933	1.5
209.14240	1.0
213.10429	2.3
215.11856	5.8
222.07993	1.9
223.08807	4.1
225.10252	1.3
225.13974	2.1
227.11957	2.3
236.09531	7.4
237.10313	10.3
238.11009	2.4
239.08215	1.1
239.11864	3.2
241.13406	1.2
249.10304	4.3
249.13913	2.8
250.07321	2.5
250.11050	4.8
251.09032	2.0
251.11896	42.4
252.12447	7.2
253.09740	1.8
255.03020	1.2
257.12991	1.6
261.12378	2.9
262.07504	2.0
263.08392	9.7
263.11765	10.1
264.08994	10.0
264.12576	3.3
265.09824	4.0
265.13437	11.3
266.10605	2.2
266.13754	1.5
267.11346	1.6
268.08505	3.9
269.09290	2.1
269.12646	1.1
271.02530	2.0
275.08319	1.7
276.09067	8.3
277.09824	45.7
277.12921	2.2
278.10568	17.7
279.11404	8.9
280.11935	2.0
281.09360	4.5
281.12512	1.5
282.10101	2.9
283.10855	5.4
285.12549	3.6
291.11423	50.9
292.12152	60.7
293.12915	51.4
294.10248	2.1
294.13516	6.6
295.11020	3.1
296.11621	2.1
300.02829	2.2
301.11945	1.9
303.13541	4.1
307.11246	1.2
309.12698	1.7
310.09634	1.9
311.10156	2.4
311.13632	1.2
313.11905	3.0
314.12015	2.1
319.10623	1.8
323.10400	1.6
324.11069	9.0
325.11975	4.9
326.12302	1.5
329.13995	8.4
331.13275	1.1
332.14059	1.5
335.10352	17.0
336.11127	20.8
337.11795	17.2
338.12503	3.3
341.13898	2.8
343.13052	3.9
344.13733	1.6
344.17654	1.9
346.15640	5.4
347.16229	2.3
348.16833	1.3
356.14020	2.5
358.15680	2.2
359.15540	2.3
360.17261	8.5
361.17758	2.5
362.18784	1.3
372.13235	1.1
372.17227	12.9
373.17657	3.8
374.15005	3.8
374.19186	4.8
376.16766	1.2
377.17282	1.2
379.15622	1.3
386.15054	3.9
388.16461	6.2
389.17245	2.9
390.18314	8.0
391.18784	1.8
399.15790	1.3
400.16476	2.4
402.18567	7.5
403.18884	2.2
404.15854	2.0
406.17673	6.1
414.18369	17.6
415.18784	4.4
418.17728	13.0
419.18228	2.5
420.19290	1.2
429.17044	2.0
432.19455	12.9
433.19934	2.9
436.18768	3.4
440.16193	1.5
441.16946	2.3
442.33377	1.1
447.17905	3.8
448.18436	2.0
450.20422	2.5
458.17203	8.0
459.17993	12.1
460.18106	2.5
469.22742	1.4
473.22491	1.2
476.18228	30.2
477.18973	20.1
478.19733	7.3
487.24069	1.2
490.19858	14.7
491.20422	1.7
496.21170	2.2
499.23547	2.3
508.20871	100.0
509.21130	20.3
511.23834	5.3
529.24615	10.3
530.25293	2.5
541.24219	1.5
547.24506	1.3
553.24432	4.5
555.22760	6.2
571.25848	7.4
572.26288	1.8
573.23627	29.5
574.23901	5.6
575.25055	2.2
585.23657	1.8
587.25256	11.1
588.25836	2.7
589.26874	3.6
597.23608	6.1
603.24744	3.8
605.26178	83.6
606.26495	18.7
615.24786	39.7
616.25189	9.1
617.26550	2.1
621.15027	1.9
629.26074	8.9
630.27179	1.8
633.25751	84.2
634.25897	17.0
634.80688	1.2
635.27301	2.7
639.95856	1.2
647.27344	51.8
648.27557	12.1
665.28424	76.6
666.28845	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64512	1.6
55.01880	2.2
59.01377	21.6
61.98836	3.3
63.18789	1.6
69.65508	13.6
71.01376	9.3
72.47083	1.5
72.99316	2.4
73.02960	2.3
75.00854	2.5
82.03001	4.1
83.01398	3.9
85.02961	7.2
87.00877	2.5
89.02471	4.7
94.02998	63.2
94.03594	3.7
95.01412	1.8
96.04562	3.4
97.03004	2.0
97.82664	1.5
99.00914	1.9
101.02449	5.1
105.05862	2.8
108.04571	4.3
110.06121	10.8
113.02441	4.6
119.03484	2.0
120.08212	59.6
121.08515	2.7
122.06161	16.6
123.06432	2.3
125.02425	5.3
133.02971	8.0
135.04579	11.2
137.02489	1.8
137.04854	2.7
138.05635	31.6
142.06628	16.3
144.04526	6.6
147.04561	3.4
150.03209	2.3
150.05632	4.5
151.00404	2.7
152.01088	2.3
152.07104	1.9
160.01666	3.6
161.02472	27.9
161.04665	2.9
162.02940	2.9
162.05557	2.6
164.07184	5.0
165.05598	3.5
168.06708	2.0
172.07617	2.0
174.05611	6.6
175.04025	4.6
177.05502	3.4
178.99924	3.2
179.03543	13.7
181.62389	1.5
186.05605	10.3
187.06288	2.4
188.03456	2.5
191.03474	1.8
203.05884	11.9
204.06677	12.6
205.01447	2.8
215.11807	4.1
223.08760	3.3
225.10425	1.9
236.09511	6.1
237.10320	7.6
239.08076	1.9
239.12030	2.0
246.07716	5.7
249.06215	2.5
249.10291	2.6
250.11223	2.5
251.05699	4.1
251.11909	35.0
252.12399	3.1
253.09645	1.8
261.12491	3.5
263.08279	5.2
263.11929	3.8
264.09027	6.2
264.12079	1.9
265.09790	4.1
265.13467	8.0
266.10629	2.0
267.07614	2.3
271.02209	2.1
276.09039	6.0
277.09790	23.8
278.10513	13.0
279.11362	8.0
281.09271	4.0
283.10901	3.0
285.03860	2.5
285.12454	2.1
291.11398	25.3
292.12128	33.0
293.12915	35.3
294.13412	6.0
295.10910	3.6
300.02588	2.2
301.11746	2.0
303.13281	2.9
311.10297	2.8
312.11084	2.2
313.11859	3.1
323.07816	2.3
324.11185	6.5
325.07236	3.2
325.11856	4.2
335.10336	7.0
336.11194	12.1
337.11868	9.6
339.85345	2.1
341.09454	2.5
343.12933	3.7
344.13934	3.0
346.15625	4.6
348.17212	2.1
360.17093	6.3
369.09872	8.4
372.17242	11.1
374.14636	2.6
374.18857	4.5
386.14722	2.8
387.14703	2.0
388.16571	4.1
389.17105	2.8
390.18231	5.5
400.16437	2.3
402.18295	4.1
403.18951	2.6
414.18301	9.1
415.18912	3.8
418.12650	2.0
418.17651	11.4
419.17886	3.3
432.19296	7.5
433.19690	4.0
436.18832	3.6
450.20035	2.5
458.16971	2.8
459.17883	7.4
469.22525	2.8
476.18155	17.8
477.18921	11.2
490.19788	2.2
508.20914	49.8
509.21213	9.7
511.23352	6.2
529.24579	10.0
553.24731	2.4
555.22345	4.3
571.25354	5.9
573.23547	40.5
574.24042	9.2
575.24957	6.6
587.24994	6.0
589.27045	5.0
597.23602	3.0
603.25012	2.4
605.26227	100.0
606.26398	19.7
615.24658	28.7
616.25067	6.1
629.25934	5.0
633.25830	62.8
634.26099	16.2
647.27429	34.3
648.27673	8.2
665.19263	7.6
665.29358	56.3
666.29730	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	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
57.03448	2.6
59.01383	7.9
61.98832	7.6
69.03475	0.4
70.57843	0.4
70.58196	0.8
71.01389	5.4
72.01721	0.3
72.99310	0.7
73.02955	1.0
74.87923	0.3
75.00866	0.3
83.01398	1.1
83.05016	0.3
85.02967	2.0
87.00891	0.9
88.98829	0.4
89.02464	2.8
94.03012	0.3
95.01424	0.7
97.02941	0.3
98.19903	0.3
99.00908	0.8
99.04549	0.5
101.02444	3.3
102.02763	0.3
107.05037	0.5
109.02944	0.6
111.00205	0.3
111.00893	0.9
113.02480	2.8
117.03504	1.5
119.03545	1.1
119.05027	0.5
121.03015	0.4
122.06202	0.4
123.04522	0.6
125.02451	1.6
128.03545	0.7
129.01955	0.4
129.10335	0.3
130.12491	0.2
132.02208	1.4
133.02977	29.6
134.03662	1.2
135.04541	15.2
136.04860	0.6
137.02492	1.3
139.04033	0.5
142.06616	0.3
143.03529	0.6
145.02972	1.1
147.04454	0.4
148.05313	0.4
149.02449	0.3
149.06108	2.2
150.03232	0.8
151.04024	0.7
159.04541	0.3
160.01675	0.5
161.02466	100.0
162.02817	5.0
163.04018	1.0
165.05585	0.5
166.02806	0.3
167.03542	0.3
168.78299	0.2
175.03978	0.6
177.05600	4.6
178.02756	0.5
179.03517	17.3
180.03896	1.2
181.64227	0.3
187.07730	0.4
193.05008	0.3
200.10350	0.2
203.03589	0.3
204.06671	0.5
215.07169	0.3
221.04562	5.8
222.04922	0.4
235.06151	0.3
251.05672	2.5
281.06628	4.9
282.07086	0.4
302.80573	0.3
311.09308	0.5
314.11435	0.3
319.12933	0.5
321.13635	0.3
329.14236	0.4
336.12836	0.4
337.12994	0.4
341.08893	0.9
341.13901	0.5
359.14810	0.5
491.19482	1.5
491.25967	0.3
501.21078	0.3
503.18851	1.3
521.20380	0.6
533.20917	0.5
543.22406	0.3
545.23962	6.5
546.24292	1.1
547.24579	0.3
555.22534	0.6
561.29193	1.3
573.23700	0.8
575.25031	49.4
576.25336	9.5
577.27081	0.3
579.30542	1.2
587.25043	5.4
588.24890	0.8
589.25787	0.5
605.25946	6.5
606.26605	1.4
611.24854	0.5
617.25940	0.4
621.32050	0.4
629.15753	0.4
629.26154	9.1
630.26501	2.4
633.24976	1.2
647.27197	0.8
665.27350	7.8
666.28668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47231	0.6
57.03437	3.0
58.00591	1.1
59.01383	23.1
60.34724	0.6
61.98833	19.6
66.03468	0.7
71.01385	21.9
71.02497	1.9
72.00914	2.4
72.99305	2.7
73.02952	2.2
74.02479	2.9
75.00890	1.3
83.01382	3.2
83.05019	0.7
84.04552	2.1
85.02957	7.6
87.00896	3.3
88.98819	1.9
89.02454	16.4
92.20326	0.6
93.03477	1.3
95.01402	2.7
97.02916	0.9
97.06584	1.1
98.01244	3.7
99.00887	1.1
99.02013	1.5
99.04482	0.8
101.02454	11.8
107.01312	0.8
107.05034	1.3
109.04014	0.7
110.02494	48.8
111.00904	6.7
111.02076	1.0
111.02827	1.3
111.05666	1.7
112.04061	7.0
112.96784	0.6
113.02459	9.8
116.05090	2.3
116.92835	0.9
118.06667	1.0
119.03525	6.5
119.05040	4.5
121.02979	1.3
121.04078	0.8
122.02470	0.6
124.04037	2.9
125.02447	4.3
129.01949	0.8
129.10356	10.0
131.03596	1.3
132.05779	0.9
133.02989	5.7
133.05641	0.6
133.06610	3.3
134.03703	1.3
134.06120	1.3
135.04561	5.7
136.04166	0.9
137.02472	1.2
139.00357	0.8
139.04036	0.7
139.08795	1.1
143.03508	2.8
145.02930	1.0
145.06606	5.8
146.06133	9.3
146.07190	0.9
147.04524	1.8
148.07695	6.6
149.02510	0.7
149.03583	13.9
149.04695	0.7
149.06097	1.7
150.02000	1.1
150.03113	0.7
151.00334	1.6
151.05151	0.9
151.08783	2.2
154.99901	0.9
155.08290	37.8
156.08621	1.0
158.06097	0.7
159.03287	0.7
159.04549	3.4
159.06873	1.2
160.01711	0.7
160.07686	6.6
161.02467	22.1
161.04602	2.9
161.05975	1.3
162.02814	1.4
162.05597	0.7
162.09245	6.6
163.04019	3.3
164.04787	0.8
165.05571	1.8
167.03441	1.2
168.09129	0.9
169.09875	0.8
170.06100	1.3
171.04506	1.8
174.05582	0.9
175.04077	1.2
177.05617	1.4
178.99876	2.1
179.03452	3.3
179.05650	8.9
180.04205	0.6
180.06750	4.1
186.05621	2.7
188.07181	5.1
189.05423	1.2
189.06870	1.2
192.09044	1.0
204.06602	1.5
205.09819	2.6
206.08211	6.9
209.11780	1.6
215.03494	1.2
221.04536	1.1
221.09322	1.8
224.08159	1.1
231.15085	0.8
232.06145	6.8
241.13548	0.7
242.11946	1.6
249.08789	9.0
250.09163	0.9
255.14877	1.2
257.08267	0.6
258.08524	0.7
259.14517	2.3
266.11462	8.1
267.11728	0.9
273.12405	0.8
280.13425	1.6
281.06509	1.4
281.09311	0.9
292.13379	4.5
293.13531	1.1
298.11954	0.7
299.23807	0.9
301.15491	1.0
315.09732	1.0
318.11377	2.6
335.14090	1.1
342.10922	8.7
343.11337	1.7
343.15329	0.7
360.11862	0.8
371.09360	1.2
371.29431	0.8
386.11636	0.9
401.13785	3.1
401.21945	4.3
415.23087	0.8
448.22397	2.3
459.27673	2.5
485.16238	1.4
488.97705	0.8
492.21393	20.7
493.21741	4.0
503.26282	6.8
504.26581	1.1
509.24002	3.6
510.24286	0.9
535.21942	1.6
545.23798	1.9
557.06189	0.8
559.25592	5.9
560.26093	1.1
575.24988	11.0
576.25635	2.1
577.26886	1.1
587.25677	1.3
603.24658	100.0
604.24951	25.0
605.25592	1.5
621.25787	44.5
622.26233	9.3
629.26733	1.0
646.30548	0.7
647.23242	1.0
652.50275	0.7
665.30646	19.9
666.30231	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	665.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	0.4
59.01381	44.7
60.01736	0.4
63.48624	0.3
69.74793	0.3
70.90387	0.5
70.90728	0.8
71.01385	1.9
72.99310	5.3
73.02946	0.5
75.00871	0.5
78.96041	0.3
85.02961	1.4
88.25790	0.4
89.02471	0.9
94.03009	0.7
96.96014	0.5
99.00956	0.4
101.02460	1.8
103.05594	0.7
113.02473	2.1
119.03535	0.5
119.05040	5.6
131.05075	0.5
133.02980	3.7
133.06656	0.5
134.03690	0.4
135.04549	11.0
136.04872	0.8
137.02437	0.8
144.45883	0.4
147.04547	100.0
148.04881	4.7
149.06058	1.2
161.02472	17.0
161.04614	0.9
161.06073	0.8
162.02766	1.0
165.01906	1.4
165.05592	88.7
166.05939	5.3
177.05609	2.7
178.02762	0.4
179.03531	9.4
180.04163	1.2
187.38474	0.4
189.05556	0.9
195.06645	3.3
203.03502	1.0
207.06645	66.3
208.07004	4.5
219.06502	0.5
221.04576	2.5
249.07635	1.1
251.05618	1.0
279.08722	1.1
281.06659	1.1
292.12173	0.4
323.07660	3.1
341.08691	0.5
373.12689	0.4
413.14609	6.8
414.14694	1.0
459.12885	2.3
460.13605	0.5
485.10706	0.6
503.11966	6.6
504.12286	0.9
510.49045	0.3
545.13397	0.6
562.08502	0.4
597.97681	0.4
605.14990	1.0
605.26141	0.9
606.15479	0.4
615.24451	0.5
665.27570	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	665.137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
58.86701	0.4
59.01380	12.4
61.98831	7.9
65.00346	0.6
70.95609	1.2
70.95972	0.4
71.01388	8.5
72.99310	1.0
73.02959	2.3
83.01408	2.0
83.98833	0.4
85.02964	3.1
87.00887	1.2
88.98785	0.5
89.02438	3.9
94.02973	0.5
95.01411	1.4
96.96087	0.4
97.02970	0.5
99.00920	0.8
99.04540	0.6
101.02460	5.0
107.01460	1.1
108.02198	1.3
109.02979	0.5
111.00934	1.1
113.02444	3.5
115.00420	0.5
117.03481	1.1
119.03526	1.0
119.05034	0.9
120.08243	0.5
121.02963	1.0
123.04588	0.5
124.01644	0.6
125.02480	1.5
127.57449	0.4
127.97431	0.4
129.01958	0.5
132.02209	0.5
133.02975	7.7
134.03751	0.5
135.00876	0.7
135.04567	5.0
137.02505	0.8
142.06671	4.9
143.03564	0.5
143.06985	1.5
145.02974	1.7
148.01685	1.1
148.05408	0.5
149.06158	0.8
150.03255	0.6
151.00386	4.1
152.00999	0.6
153.01968	0.6
158.06165	0.6
159.03168	0.4
159.04480	0.6
160.01672	0.9
161.02467	27.2
161.04552	1.0
162.02887	0.9
163.00429	0.7
163.04034	0.9
164.01173	0.5
165.05611	0.7
169.01439	0.5
175.02577	0.9
175.04065	1.0
177.05583	1.4
178.99861	3.5
179.03467	5.2
186.05545	2.2
187.04111	0.6
187.05986	0.7
187.07668	0.7
195.06747	0.4
199.04077	1.1
203.03506	0.7
204.06642	3.9
205.01579	0.5
205.07054	1.3
215.03546	0.8
215.07158	0.9
216.04167	0.4
221.04549	1.7
226.02690	1.8
227.03447	2.4
243.02991	9.4
244.03383	1.4
246.07739	1.8
247.07912	0.6
251.05502	0.5
254.02205	1.9
255.02986	26.0
256.03406	2.1
257.08289	0.5
267.07007	0.6
271.02463	52.6
272.02859	5.3
281.06781	1.2
299.01971	1.9
300.02765	100.0
301.03201	10.5
341.10089	0.6
395.11502	0.6
399.23990	0.7
417.15561	0.5
417.24905	0.9
434.84631	0.5
457.12332	0.5
459.22021	0.5
508.20685	0.7
545.23596	1.6
561.29138	7.9
562.29846	0.9
573.23236	0.9
575.16382	0.7
575.25012	14.1
576.25452	2.1
579.13513	1.8
579.30237	6.3
580.30774	0.7
587.25177	1.3
605.26031	2.3
621.14740	78.4
621.31439	2.8
622.15118	15.7
622.30951	0.6
629.26282	2.8
647.27429	0.8
665.19708	1.7
665.28204	3.2
666.20123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
58.86701	0.4
59.01380	12.4
61.98831	7.9
65.00346	0.6
70.95609	1.2
70.95972	0.4
71.01388	8.5
72.99310	1.0
73.02959	2.3
83.01408	2.0
83.98833	0.4
85.02964	3.1
87.00887	1.2
88.98785	0.5
89.02438	3.9
94.02973	0.5
95.01411	1.4
96.96087	0.4
97.02970	0.5
99.00920	0.8
99.04540	0.6
101.02460	5.0
107.01460	1.1
108.02198	1.3
109.02979	0.5
111.00934	1.1
113.02444	3.5
115.00420	0.5
117.03481	1.1
119.03526	1.0
119.05034	0.9
120.08243	0.5
121.02963	1.0
123.04588	0.5
124.01644	0.6
125.02480	1.5
127.57449	0.4
127.97431	0.4
129.01958	0.5
132.02209	0.5
133.02975	7.7
134.03751	0.5
135.00876	0.7
135.04567	5.0
137.02505	0.8
142.06671	4.9
143.03564	0.5
143.06985	1.5
145.02974	1.7
148.01685	1.1
148.05408	0.5
149.06158	0.8
150.03255	0.6
151.00386	4.1
152.00999	0.6
153.01968	0.6
158.06165	0.6
159.03168	0.4
159.04480	0.6
160.01672	0.9
161.02467	27.2
161.04552	1.0
162.02887	0.9
163.00429	0.7
163.04034	0.9
164.01173	0.5
165.05611	0.7
169.01439	0.5
175.02577	0.9
175.04065	1.0
177.05583	1.4
178.99861	3.5
179.03467	5.2
186.05545	2.2
187.04111	0.6
187.05986	0.7
187.07668	0.7
195.06747	0.4
199.04077	1.1
203.03506	0.7
204.06642	3.9
205.01579	0.5
205.07054	1.3
215.03546	0.8
215.07158	0.9
216.04167	0.4
221.04549	1.7
226.02690	1.8
227.03447	2.4
243.02991	9.4
244.03383	1.4
246.07739	1.8
247.07912	0.6
251.05502	0.5
254.02205	1.9
255.02986	26.0
256.03406	2.1
257.08289	0.5
267.07007	0.6
271.02463	52.6
272.02859	5.3
281.06781	1.2
299.01971	1.9
300.02765	100.0
301.03201	10.5
341.10089	0.6
395.11502	0.6
399.23990	0.7
417.15561	0.5
417.24905	0.9
434.84631	0.5
457.12332	0.5
459.22021	0.5
508.20685	0.7
545.23596	1.6
561.29138	7.9
562.29846	0.9
573.23236	0.9
575.16382	0.7
575.25012	14.1
576.25452	2.1
579.13513	1.8
579.30237	6.3
580.30774	0.7
587.25177	1.3
605.26031	2.3
621.14740	78.4
621.31439	2.8
622.15118	15.7
622.30951	0.6
629.26282	2.8
647.27429	0.8
665.19708	1.7
665.28204	3.2
666.20123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
59.91829	0.5
61.98840	6.3
71.01377	1.1
71.71220	0.6
78.95914	0.6
90.45455	0.5
117.03498	9.8
119.05047	2.4
121.02957	2.3
123.04559	0.6
134.89519	1.2
136.60750	0.5
145.02986	30.5
146.03362	1.4
153.37831	0.5
162.03134	0.6
163.04102	0.8
168.68138	0.5
177.05545	1.5
216.02286	0.5
238.15878	0.5
249.75348	0.5
268.74896	0.6
304.20972	0.5
439.32324	5.0
440.32465	1.0
469.02222	0.7
483.31393	3.4
485.32715	1.3
487.33792	0.7
501.32162	0.7
513.32306	3.5
514.32428	1.2
515.32751	1.8
573.36066	1.0
575.37512	3.8
576.37115	0.7
578.27087	0.8
601.35675	3.6
602.35864	0.8
617.34888	1.3
619.36658	9.0
620.37030	1.9
663.35541	100.0
664.24683	1.2
664.35889	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	663.3759
Annotation	Paradrymonoside
Peak:m/z	Relative Intensity
58.06543	0.2
59.01368	1.0
61.98840	2.3
63.75654	0.2
71.01388	0.8
72.99030	0.2
86.13905	0.2
89.02444	1.1
98.19728	0.3
100.84515	0.2
101.02441	0.5
103.92044	0.3
104.92809	0.5
113.02471	0.3
114.97152	0.2
144.04337	0.3
152.55286	0.2
229.71640	0.3
241.09973	0.2
288.60001	0.2
390.88629	0.2
421.31299	1.5
421.36935	0.2
437.30621	1.8
438.30954	0.3
439.32202	17.4
440.32687	2.8
469.32852	0.5
483.31177	100.0
484.31531	18.6
663.22467	1.0
664.23096	0.4
693.51068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3398
Annotation	Vernonioside F1
Peak:m/z	Relative Intensity
57.03457	0.7
59.01396	1.5
61.98844	3.2
67.86668	0.3
71.01394	0.6
71.05024	1.9
72.99335	0.3
73.02946	0.3
74.61712	0.3
77.50841	0.3
79.56031	0.3
83.05041	2.3
87.04513	2.2
89.02446	0.5
101.02491	0.4
115.21909	0.3
116.13349	0.3
143.46013	0.4
175.04126	0.5
205.15984	0.5
221.42455	0.3
230.27306	0.4
257.36014	0.3
283.20590	0.4
299.23807	1.6
301.25388	3.5
341.24759	0.5
367.30170	1.4
369.31625	3.4
370.32211	0.5
395.29596	2.3
411.29099	0.8
413.30548	1.7
414.30710	0.4
439.28546	1.9
440.28955	0.5
455.27805	2.3
457.29602	41.1
458.29977	7.0
499.30298	0.5
501.28561	100.0
502.28922	18.4
663.33960	86.4
664.34290	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	663.3413
Annotation	Hirsutellide A
Peak:m/z	Relative Intensity
57.03459	0.5
58.15734	0.2
59.01381	8.3
61.98837	15.6
69.03481	0.2
71.01389	4.2
71.05032	0.3
72.99321	0.4
73.02964	0.8
79.54486	0.2
81.03466	0.2
82.89182	0.2
83.01392	1.0
85.02959	2.0
87.00897	0.8
88.98807	0.3
89.02451	1.9
89.03973	0.3
95.01398	0.8
99.00902	0.4
101.02457	2.7
101.72135	0.2
105.03474	0.5
107.05039	0.4
109.03009	0.2
111.00948	0.3
113.02468	1.7
116.92910	0.2
117.03491	1.5
118.98125	0.5
119.03550	0.6
119.05031	0.3
121.02966	0.3
122.06157	0.2
123.04550	0.4
125.02480	0.6
132.02190	1.3
133.02982	30.1
134.03416	0.9
135.04553	9.1
136.04851	0.3
137.02454	0.9
139.04051	0.3
142.06619	0.4
145.03008	0.4
149.02513	0.3
149.06108	0.3
151.00406	0.2
160.01695	0.7
161.02470	100.0
162.02815	5.0
163.04074	0.4
165.05550	0.4
167.03491	0.3
172.05354	0.2
175.04030	0.6
177.02000	0.3
177.05602	0.4
178.02753	0.4
179.03513	5.0
179.05782	0.2
180.03995	0.2
187.07671	1.4
191.03537	0.6
193.05025	0.2
204.04112	0.2
204.06598	0.2
215.07098	0.4
221.04497	0.3
229.08659	0.4
231.10236	0.3
257.08194	1.6
258.08414	0.3
283.10916	0.3
297.07700	0.4
303.14700	0.2
339.08734	0.4
353.67371	0.2
382.10196	0.3
385.13174	0.3
415.23386	0.9
439.28543	0.3
457.24521	0.3
477.30798	0.2
501.18707	0.3
525.23914	0.2
566.19415	0.2
619.19470	0.4
619.27966	0.7
625.38232	0.7
627.39038	0.2
631.25397	0.3
663.33997	84.8
664.34351	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	663.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03006	0.5
51.61610	0.6
57.03434	0.8
58.00586	0.6
59.01382	13.6
59.92358	0.6
61.98834	4.5
62.69479	0.7
66.39571	0.7
67.04749	0.6
70.56594	0.5
70.65069	0.6
71.01380	4.6
71.29283	1.5
73.02950	1.3
75.00876	1.1
76.56830	0.6
83.01410	0.9
85.02959	2.4
86.60159	0.6
87.00861	1.1
88.98805	2.1
89.02444	2.8
94.02988	4.4
94.06621	1.2
95.01405	1.5
96.96017	0.7
99.00872	1.4
101.02441	2.3
106.06606	1.2
106.46510	0.6
108.04572	2.7
110.02522	0.7
110.06112	5.2
111.00881	1.0
113.02493	3.8
118.06664	0.7
119.03558	0.7
120.08195	2.1
121.05334	0.8
122.06143	11.9
123.03286	1.5
123.04515	0.8
124.04061	5.2
125.02480	0.7
133.02983	1.0
134.03763	0.9
134.06120	1.0
136.04076	5.0
137.04839	2.4
138.05646	6.2
142.06631	1.1
143.03369	0.6
144.04547	1.2
145.02931	1.3
146.06125	1.1
147.05659	3.1
148.07707	0.8
150.05641	6.3
160.04062	2.4
160.07732	0.7
161.02470	3.5
161.03616	1.2
161.04750	3.9
162.05638	2.3
168.06668	1.5
173.04851	0.9
174.05614	5.2
175.02556	0.9
175.03860	1.0
175.05228	3.4
186.05566	0.6
187.06340	1.1
188.03558	1.0
188.07173	0.7
189.09132	0.8
192.06702	1.0
193.03746	1.2
199.08705	0.7
201.10338	16.6
202.10661	1.2
202.12401	1.3
203.05852	3.3
203.11955	1.5
204.06458	0.9
211.08847	1.6
212.10867	1.0
213.10336	8.3
214.10841	0.9
215.11937	3.0
216.06598	0.7
217.09854	0.9
223.08733	0.9
224.09514	0.9
227.11896	5.3
228.12491	0.9
229.09842	18.7
229.13361	7.9
230.10078	0.9
237.10268	1.6
239.11922	9.2
241.09822	3.1
242.10533	1.0
245.12993	1.6
247.10831	3.3
249.06184	0.8
251.11659	1.5
255.11385	5.5
257.12946	6.5
259.10852	0.8
267.07153	2.3
267.11337	3.0
271.10809	1.5
273.12424	6.1
279.11383	0.6
281.09412	1.5
281.12424	0.7
283.10934	4.6
289.11945	6.6
291.11380	1.6
301.11957	27.6
302.12381	2.9
309.12372	1.5
310.32294	0.6
311.10382	1.0
315.05136	0.6
316.10992	0.7
319.13007	100.0
320.13336	10.9
327.13629	5.1
328.10959	1.3
328.14532	1.0
329.11609	1.2
330.12439	1.5
331.13156	1.0
332.13940	0.8
343.13141	4.3
344.14136	1.2
345.14999	1.0
346.15610	1.8
355.10297	0.8
358.15573	2.3
359.12650	1.4
360.17166	0.9
363.15741	1.0
370.15848	1.5
371.12793	1.2
372.13452	2.9
372.17581	0.9
373.14133	1.2
377.13480	1.4
378.18283	1.1
379.18939	1.5
384.17477	1.5
386.15115	8.3
387.15756	1.9
388.16638	3.7
389.17090	1.1
390.14447	1.0
391.15359	0.9
396.13516	0.9
400.12347	1.0
400.16647	2.3
401.13513	0.9
403.15042	2.6
404.11481	1.0
404.16272	10.5
405.16898	5.6
406.17505	2.2
412.16818	1.0
414.14615	2.2
416.16321	1.1
417.16812	1.3
418.14249	2.4
419.14688	1.9
428.16245	2.4
429.16849	2.0
430.17386	0.9
432.15482	5.1
437.15997	5.0
446.17398	4.9
447.17847	3.2
450.16782	0.9
501.23834	2.0
509.21777	2.3
515.22772	2.0
519.26154	2.2
521.74237	0.7
527.22968	6.4
528.23206	2.1
541.24084	0.8
545.23987	14.7
545.31750	1.1
546.24579	3.8
551.23077	3.1
557.24200	2.4
569.24164	11.3
570.24524	2.4
571.21942	0.7
587.25171	63.3
588.25592	11.5
590.23712	2.7
591.24249	1.5
601.22931	1.9
603.21912	0.8
613.23029	7.6
614.23547	1.7
619.28204	1.3
631.24219	77.0
632.24481	19.4
633.25665	1.8
645.25769	7.0
646.26135	1.4
663.26788	64.9
664.27118	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	662.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.1
57.03439	0.3
59.01381	9.4
61.98833	7.6
71.01385	2.6
71.71845	0.3
72.99310	5.2
73.02950	0.8
75.00874	0.7
83.01384	0.6
83.05045	0.2
85.02966	1.4
87.00881	0.3
88.98814	0.5
89.02456	1.5
93.03481	0.2
95.01402	0.3
99.00894	1.8
99.04507	0.2
101.02465	2.0
109.02956	0.3
111.00883	0.7
111.04511	0.3
112.17594	0.2
113.02457	1.0
114.02835	0.2
116.05078	8.4
116.92886	0.2
117.05454	0.3
119.03511	0.3
120.08202	0.2
122.06107	0.9
124.55323	0.2
125.02448	0.6
128.05072	3.3
129.01924	0.3
130.06644	5.4
131.06947	0.4
132.04549	1.0
133.02989	0.5
134.03780	0.2
135.04526	0.3
137.02434	0.4
140.05054	0.2
141.09230	0.2
142.06641	10.8
143.06995	0.4
144.04518	1.1
145.02930	0.2
146.06110	0.3
147.04547	0.3
149.02428	0.2
150.03360	0.2
151.00368	0.2
157.05318	0.3
158.06136	22.1
159.06496	1.3
160.01662	0.4
161.02492	1.0
161.04555	0.8
163.03998	0.2
165.05577	0.4
166.06628	1.1
167.03636	0.2
172.04089	1.0
174.05646	0.5
175.02621	0.2
175.04044	0.4
177.01990	0.2
179.03494	0.3
184.07698	2.2
185.08014	0.2
186.05624	9.7
187.05991	0.6
190.89406	0.2
191.03448	0.3
191.98599	0.2
193.05130	0.4
201.10332	0.2
204.06667	100.0
205.05231	0.2
205.06996	6.0
213.10400	0.2
225.15033	0.2
228.06674	10.8
229.06976	0.9
229.09274	0.2
235.06078	0.3
239.11960	0.3
255.11401	0.3
265.09607	0.2
277.09995	0.2
279.11548	0.2
280.11575	0.2
283.10760	0.4
285.12372	0.5
286.12744	0.2
297.07455	0.3
301.03503	0.2
301.11954	0.6
307.10916	0.3
308.11398	0.5
309.12271	0.2
311.10358	0.3
319.13013	0.6
339.08630	0.2
351.09918	0.3
352.10172	0.4
357.13474	0.8
371.15994	0.2
386.14703	0.2
389.21899	0.6
398.82050	0.2
404.15808	0.2
414.18042	0.2
415.19617	0.4
431.22824	0.7
449.18942	0.2
457.20734	1.6
501.18671	0.3
507.19565	0.3
536.24561	0.2
539.22308	0.7
545.23621	0.2
554.24512	0.8
558.18829	0.3
587.25458	0.4
598.23932	1.1
603.22412	0.2
630.26477	1.0
631.24817	0.9
644.27930	0.3
662.28729	3.2
663.26526	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	662.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48290	0.3
57.58574	0.3
59.01379	7.8
71.01401	1.4
72.63979	0.3
72.99297	3.1
72.99617	0.3
74.02470	0.8
75.00858	1.7
85.02971	2.0
87.00903	1.0
89.02453	0.7
95.01407	0.7
99.00893	1.1
113.02465	1.8
116.05074	4.3
117.05392	0.4
121.02976	7.7
121.86649	0.3
128.05093	1.2
130.06630	1.9
132.04599	0.5
142.06653	100.0
143.06996	5.4
144.04515	0.4
158.06136	11.3
158.59880	0.3
159.06441	0.9
161.02437	0.5
186.05627	46.0
187.05965	3.6
203.08241	0.7
204.06677	70.7
205.07024	4.1
231.04979	0.4
245.09305	0.7
246.07709	45.1
247.08043	4.4
249.06133	4.7
258.64523	0.3
260.13116	0.4
371.09854	10.7
372.10040	1.9
439.53455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14100	0.5
52.82670	0.6
59.01377	7.0
60.38547	0.5
71.01382	0.6
71.53732	1.1
72.99313	2.5
75.03407	0.6
100.74972	0.6
116.05085	4.7
119.05059	0.7
128.05081	1.1
130.06650	1.5
132.04616	0.6
142.06648	100.0
143.07008	6.0
144.04588	0.9
158.06134	11.7
159.06451	0.7
160.01656	0.9
161.02475	1.2
163.04031	0.7
175.04076	1.1
186.05626	47.6
187.06015	3.1
204.06679	73.1
205.07039	4.5
246.07712	45.4
247.08049	3.9
301.11929	0.6
341.10303	0.9
383.10013	0.7
466.16992	1.3
486.10211	0.6
501.14313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.8
61.98839	17.3
67.66409	0.9
68.22543	1.0
69.70596	4.7
69.71016	3.1
71.01392	3.1
75.70839	1.0
83.01421	1.2
85.02983	1.5
88.42066	1.0
89.02467	1.2
94.06630	1.5
100.48061	1.1
101.02451	1.8
106.06673	2.1
107.03753	2.0
108.04529	1.9
110.06117	6.0
120.08233	1.1
121.05358	1.7
122.06145	32.8
125.02502	1.1
130.06606	1.7
134.06145	7.9
136.07675	2.3
144.04593	1.7
146.06128	2.1
152.07167	1.6
160.04004	1.1
160.06436	4.1
161.02458	2.1
161.04837	1.8
174.05659	5.9
180.06648	3.9
181.03658	1.1
186.05624	2.3
187.06398	1.7
188.07108	3.6
203.05928	3.4
203.11882	2.4
204.06619	1.3
210.07954	1.2
211.08740	1.0
213.10365	18.4
214.10640	1.2
215.11909	1.9
216.49388	1.1
223.08746	2.2
225.10257	2.0
226.10959	2.3
235.12498	1.0
236.09737	1.3
237.10318	3.1
239.11911	20.6
240.12416	1.6
241.13467	15.3
249.10312	2.2
251.08238	1.1
251.11870	5.9
253.09702	1.5
263.08231	2.7
263.11887	3.0
264.09039	6.8
265.09857	9.8
266.02142	1.1
266.10501	1.9
267.11337	3.8
276.09009	1.8
277.09833	3.6
278.06989	1.2
278.10532	3.1
279.07919	2.9
279.11353	14.0
280.11905	2.9
281.09308	2.6
281.12900	2.5
283.10931	3.8
285.12473	47.9
286.12698	3.4
289.09857	1.5
290.10519	2.3
291.08051	2.6
291.11340	8.0
292.08521	11.6
292.11649	2.7
293.09219	7.5
293.12973	6.5
298.09512	1.7
301.11972	1.7
306.10071	6.0
307.10901	35.5
308.11624	15.6
309.12347	2.0
311.10352	3.0
313.11871	1.3
321.12659	1.4
322.12982	1.8
323.10367	1.6
325.12119	1.3
333.08649	1.7
335.10233	1.4
339.13373	1.4
340.10672	3.1
343.13107	2.5
344.17917	1.9
345.18137	1.3
350.09250	10.3
351.09903	28.1
351.14224	1.4
352.10358	6.4
356.14017	4.7
365.11353	4.3
368.18033	1.5
370.15552	9.2
371.16272	2.6
372.17178	2.6
382.11826	1.3
383.12582	2.8
384.13339	2.5
384.17612	1.4
387.15854	1.5
388.16650	3.2
391.95334	1.2
397.13998	1.7
398.15063	10.0
399.15741	1.6
400.16489	1.3
402.13916	1.3
403.15393	2.5
412.16638	7.3
413.17358	8.5
418.17590	1.5
420.19479	1.5
430.17770	7.3
433.16010	1.5
444.19559	1.5
445.16501	1.5
446.17004	2.0
447.17850	2.3
448.18710	5.5
456.15536	1.5
457.16373	1.9
462.20605	1.9
474.16779	4.0
475.17175	1.4
481.22168	1.2
491.16794	1.9
492.17725	12.4
493.22955	2.3
506.19379	22.6
507.19998	3.2
511.23361	4.4
512.23956	1.3
520.21069	1.3
524.20410	3.5
526.16284	1.4
535.23401	9.1
536.23895	2.7
538.21991	45.4
539.22345	9.5
553.24554	41.1
554.25012	7.9
567.26086	1.5
579.22235	3.4
585.27246	6.3
597.23596	39.5
598.24152	8.4
611.25372	4.6
612.25146	1.4
629.26337	100.0
630.26599	21.2
643.28259	2.2
661.17657	2.1
661.28802	41.5
662.29242	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	660.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03450	1.0
59.01379	12.9
61.98833	8.1
69.03476	0.7
71.01385	6.5
72.99323	3.4
73.02967	0.9
75.00890	1.7
80.91714	0.5
81.04563	0.4
83.01401	2.3
85.02957	4.0
87.00893	2.0
88.98808	1.6
89.02438	2.4
93.03467	0.7
95.01412	5.6
96.96051	0.6
97.02966	0.7
99.00893	1.5
101.02449	2.7
109.02996	0.8
111.00902	3.1
111.04529	0.6
113.02473	7.5
115.00371	0.7
116.05080	4.1
119.03564	0.6
119.05035	0.9
121.02943	1.1
122.06078	0.6
123.04575	0.8
125.02453	2.6
128.05078	1.1
129.02000	1.0
130.06638	1.7
132.02144	0.6
133.02971	1.6
134.03790	1.3
135.04544	3.3
137.02448	2.2
139.00410	4.9
142.06647	100.0
143.03409	0.6
143.07004	5.3
144.04684	0.6
145.03055	0.7
147.04558	0.8
149.02499	1.1
149.06107	0.7
150.03210	1.1
151.00392	1.1
151.04005	0.9
153.01964	0.8
155.03513	0.7
157.01440	0.8
158.06129	10.7
160.01663	1.4
161.02477	5.2
161.04605	1.1
161.05963	0.7
162.02869	0.5
163.04037	1.1
165.01952	3.3
165.05569	1.9
166.02762	1.2
167.03540	0.9
169.01364	0.8
174.01790	1.2
175.02629	0.6
175.03957	2.4
176.04829	0.6
177.05627	0.8
178.02615	0.5
179.03511	3.3
179.05736	0.5
180.04184	1.6
181.05115	2.1
186.05626	46.4
187.04272	0.5
187.05981	2.6
187.07510	0.6
188.04811	0.6
190.02737	0.6
193.05132	1.3
195.06625	2.6
203.12857	0.9
204.06674	73.3
204.50984	0.5
205.05139	1.1
205.07008	4.3
223.06104	0.7
225.07654	2.5
235.06184	0.8
241.05173	1.3
246.07706	43.9
247.08105	3.0
249.06058	0.9
256.07562	0.7
259.82413	0.5
267.07263	3.9
271.09732	2.2
285.04205	0.6
311.09149	1.3
319.06921	0.7
326.11536	1.1
341.13855	2.3
355.11722	0.7
357.13702	0.8
405.15424	0.8
499.18384	2.9
505.26740	0.7
520.66589	0.6
601.21637	1.7
643.13037	2.1
660.23816	2.3
661.23517	6.5
689.96539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01381	7.7
61.98834	6.2
70.05317	0.1
71.01396	1.5
72.99313	5.2
73.02951	0.5
75.00884	0.4
80.79648	0.1
83.01392	0.2
85.02952	0.6
87.00900	0.2
88.84164	0.1
88.98814	0.2
89.02457	0.9
95.01411	0.2
96.96068	0.1
99.00891	2.1
99.04587	0.1
101.02462	1.1
104.92703	0.1
111.00905	0.4
113.02473	0.8
115.36547	0.1
116.05079	7.7
117.05427	0.3
119.03519	0.3
125.02451	0.2
128.05081	3.7
129.05386	0.1
130.06648	5.5
131.06920	0.1
132.04561	0.9
135.04556	0.2
140.05087	0.2
142.06644	11.0
143.03516	0.1
143.06992	0.7
144.04573	1.3
146.06125	0.2
149.04594	0.2
156.04604	0.2
156.08102	0.2
157.05333	0.2
158.06133	21.9
159.06459	1.2
160.07767	0.2
161.02444	0.4
161.04581	0.3
165.05644	0.2
166.06644	1.0
167.03561	0.1
172.04051	1.2
184.07671	2.8
185.07896	0.2
186.05624	9.4
187.05975	0.6
189.12863	0.3
202.05168	0.1
204.06671	100.0
205.07008	5.4
220.41597	0.1
228.06676	14.4
229.06999	0.9
261.06076	0.2
272.05658	0.2
291.07571	0.3
306.10196	0.3
307.10434	0.2
350.09073	0.3
351.09375	0.5
387.20334	0.7
429.21399	0.8
455.13245	0.2
455.19241	2.3
456.19556	0.3
506.18777	0.1
628.25317	0.4
660.26703	1.3
661.26526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01382	9.5
61.98835	20.0
69.03484	0.3
71.01385	4.5
71.72010	0.4
72.99316	5.5
73.02956	3.1
75.00883	0.5
83.01394	1.8
83.05025	1.1
85.02950	1.0
87.00894	0.4
88.98833	0.4
89.02463	1.9
95.01372	0.3
96.96070	0.3
99.00900	3.0
101.02464	4.8
102.02791	0.3
103.00385	0.4
113.02475	2.7
114.02817	0.3
116.05083	7.9
119.03515	1.1
120.33828	0.2
122.06133	0.4
125.02431	0.9
128.05077	3.7
130.06654	7.2
130.76038	0.3
131.03493	0.6
131.07008	0.3
132.04562	1.0
133.02953	0.3
135.04547	0.6
142.06642	13.6
143.03510	0.7
143.07019	0.8
144.04590	1.6
146.06172	0.3
149.04630	1.4
156.08330	0.3
157.05347	0.3
158.06137	24.0
159.06517	1.5
161.02481	1.3
161.04543	2.3
162.02728	0.3
165.01811	0.2
165.05574	0.3
166.06644	1.5
172.04131	1.5
179.03656	0.4
179.05611	0.4
184.07680	3.8
185.08003	0.5
186.05618	10.8
187.05981	0.8
189.09035	0.3
203.05682	0.3
204.06673	100.0
205.06990	6.7
205.12334	1.0
209.11841	3.5
210.12265	1.1
211.13376	2.3
212.13766	0.9
221.06673	1.9
227.12981	0.4
228.06671	26.0
229.07004	1.9
247.04582	0.4
253.09407	0.4
264.44113	0.2
267.07388	0.3
272.05426	0.5
281.19806	0.4
295.11209	0.3
315.13531	0.3
453.17642	2.4
472.35437	0.3
566.33289	2.2
658.24835	2.8
659.26636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03447	2.2
58.00589	0.4
59.01380	8.6
60.81911	0.3
61.98835	3.8
67.01881	0.5
67.63866	0.3
68.99826	0.5
69.03448	0.5
70.78515	0.5
71.01386	13.4
72.99313	4.3
73.02949	0.9
75.00882	15.5
78.22653	0.2
81.03468	0.4
83.01396	0.8
84.02188	0.3
85.02958	17.3
86.03306	0.5
87.00881	5.7
89.02454	2.4
95.01405	4.2
98.20032	0.3
99.00247	0.6
99.00891	10.4
101.02494	0.4
101.90139	0.3
103.00401	2.1
111.00880	0.8
113.02465	20.0
114.02780	0.4
115.00411	1.8
117.01962	2.3
125.09754	0.8
127.11298	1.0
129.01955	1.2
131.03513	0.4
132.55708	0.3
139.00319	0.5
157.01416	0.6
171.10286	31.6
172.10641	1.5
175.02490	3.3
193.03503	1.0
205.07137	0.6
211.07709	0.5
223.08174	0.3
231.05119	0.3
249.06166	2.8
255.23288	63.7
256.23618	6.0
300.47177	0.4
301.19397	0.3
304.57333	0.3
393.98611	0.3
403.15955	1.5
404.16589	0.3
421.17108	0.9
465.19672	0.3
487.28857	1.3
505.30075	5.7
506.30365	0.8
599.36926	0.4
641.38837	1.4
642.39838	0.4
659.40222	100.0
660.40564	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	656.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.4
61.83031	0.2
61.98835	0.3
69.93874	0.2
71.01392	1.1
71.41527	0.4
71.41859	0.3
72.99316	3.0
75.00877	1.1
78.52111	0.2
85.02964	1.5
87.00912	0.3
94.79189	0.2
97.33086	0.2
97.42577	0.2
99.00900	0.7
103.00387	0.2
113.02457	1.1
114.02873	0.2
115.07666	8.6
115.08496	0.5
116.05077	4.0
116.08003	0.2
117.01965	0.3
128.05112	1.4
130.06668	1.6
132.04547	0.6
142.06642	100.0
143.07002	5.4
144.04594	0.4
158.06136	11.2
159.06462	1.0
172.04146	0.3
172.92967	0.2
186.05620	43.9
187.05984	2.8
204.06665	67.4
205.07007	4.6
246.07703	41.8
247.08011	3.6
249.06133	1.1
262.34494	0.2
284.03247	0.2
287.95920	0.2
359.15506	0.2
365.14536	10.5
366.14905	0.9
514.04932	0.3
593.15753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61053	0.1
58.00625	0.1
58.03675	0.1
59.01380	5.7
61.98833	8.5
69.03445	0.3
71.01386	2.6
71.53772	0.2
71.54105	0.1
72.99315	5.2
73.02949	2.7
75.00890	0.4
83.01389	1.2
83.05039	0.9
85.02956	0.5
87.00900	0.2
89.02452	1.1
92.05015	0.1
95.01386	0.2
99.00888	2.8
99.01520	0.2
101.02460	3.5
103.00373	0.6
107.18455	0.1
113.02465	1.7
116.05077	8.2
117.05404	0.4
119.03519	0.8
125.02465	0.3
128.05077	3.7
129.05411	0.2
130.06645	6.2
131.03529	0.3
131.06972	0.3
132.04587	1.0
140.05078	0.2
142.06641	11.9
143.03522	0.5
143.07013	0.6
144.04565	1.4
145.04987	0.1
146.06189	0.1
149.04558	1.0
149.06345	0.1
155.03682	0.1
156.04620	0.2
156.08253	0.2
157.05356	0.4
158.06131	24.2
159.06477	1.2
161.04597	1.9
166.06622	1.6
172.04062	0.9
174.05620	0.1
179.05644	0.4
184.07697	3.8
185.08034	0.3
186.05621	9.5
186.18974	0.1
187.05988	0.7
202.05119	0.1
203.05528	0.3
204.06664	100.0
205.07004	6.5
205.12248	0.6
206.12788	0.1
209.11835	0.3
211.13356	0.2
212.13817	0.1
221.06680	1.4
228.06668	23.8
229.06976	1.9
247.04477	0.2
272.05679	0.4
273.11243	0.2
452.11960	0.3
453.17676	2.4
454.18185	0.3
658.25067	2.9
658.34686	0.1
659.25787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39085	0.3
59.01386	1.2
61.98835	27.9
65.00313	0.5
88.70361	0.4
89.02461	0.7
91.14531	0.3
93.03410	0.3
93.04953	0.3
107.01427	1.0
126.20244	0.3
132.02182	0.6
135.00870	0.7
142.06644	1.4
146.42311	0.3
147.04558	0.5
151.00375	2.1
163.00414	1.1
167.83011	0.3
174.03241	0.4
183.04576	0.3
185.06157	0.6
186.05641	0.7
187.03995	0.8
196.42326	0.3
197.05992	0.4
199.04080	0.6
204.06654	1.5
211.04001	1.0
213.05569	0.9
227.03517	24.0
228.03889	1.5
229.05040	3.1
231.26152	0.4
239.03505	0.5
246.07700	0.7
255.02989	43.9
256.03528	5.9
257.04514	2.5
267.03247	0.5
283.02502	0.4
284.03275	75.7
285.03964	30.8
286.04367	2.3
327.05032	1.0
453.09866	0.4
593.15155	100.0
594.15515	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	656.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.98832	23.0
69.39009	3.9
69.39436	1.1
83.01432	0.5
93.03471	0.6
93.91737	0.4
98.12641	0.4
101.02455	0.5
107.01414	1.1
125.02479	0.5
133.82953	0.4
135.00887	0.9
142.06572	0.8
143.05049	0.5
144.55884	0.4
151.00371	1.8
154.04201	0.4
159.04573	0.7
163.00401	2.0
165.01932	0.5
169.06621	0.8
185.06113	1.5
187.03996	1.5
189.05544	0.7
193.35388	0.5
195.04543	0.6
195.16592	0.4
197.06065	0.6
199.04085	1.2
201.05634	0.6
204.06630	0.7
211.04001	1.4
213.05539	1.1
217.05040	0.4
227.03514	21.9
228.03976	1.6
229.05080	6.7
230.05379	0.8
239.03485	0.5
241.05037	1.0
243.93504	0.5
246.07825	0.4
255.02980	37.9
256.03528	4.8
257.04504	4.4
267.02805	1.0
284.03268	51.3
285.04028	66.3
286.04404	5.0
309.19815	0.5
327.04950	0.6
368.99338	0.5
553.66547	0.6
593.15137	100.0
594.15472	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38496	0.3
55.01677	0.2
55.01883	2.2
57.03458	2.2
58.00598	1.8
59.01381	31.9
60.01689	0.3
61.98831	10.0
69.03438	0.3
71.01388	34.9
72.01731	0.5
72.99310	3.2
73.02955	7.6
75.00880	0.8
75.14520	0.3
81.03483	0.3
83.01392	4.7
83.05053	0.5
85.02960	14.5
86.00097	0.5
86.03278	0.3
87.00886	1.9
88.98822	0.8
89.02457	16.9
95.01408	3.2
97.02964	0.9
99.00888	3.3
101.02457	23.3
102.02789	0.5
111.00908	2.2
113.02463	13.1
114.02767	0.5
119.03523	5.9
121.02979	0.3
125.02431	0.8
125.09732	0.5
129.01924	0.3
131.03516	0.6
143.03532	1.7
145.02965	0.3
149.04536	0.3
159.02977	1.3
160.01714	0.5
161.02463	0.3
161.04568	3.2
162.04860	0.2
171.10225	0.6
175.04045	0.5
179.05656	2.2
181.12355	0.2
181.35510	0.3
207.10284	0.5
209.11804	1.9
225.11356	0.8
235.08218	0.3
240.30174	0.3
253.09096	0.3
274.75366	0.3
283.26205	0.4
313.09424	0.3
329.30603	0.4
343.15811	0.3
417.22913	0.3
424.19165	0.3
440.85504	0.2
455.26526	2.7
456.26968	0.4
488.51266	0.3
491.35950	12.2
492.36252	2.4
635.31024	0.8
636.30701	0.3
653.41296	100.0
654.41644	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
55.36779	0.2
57.03445	2.0
58.00587	1.1
59.01380	20.9
60.01717	0.3
61.31901	0.2
61.98829	5.3
67.01892	0.3
68.99802	0.4
69.03461	0.6
70.83901	0.3
70.84261	0.7
71.01385	27.9
72.01748	0.4
72.99310	1.9
73.02950	7.6
75.00880	0.5
83.01395	5.2
84.02183	0.3
84.03873	0.2
85.02959	12.9
86.00102	0.5
86.03330	0.3
87.00886	1.8
89.02452	9.0
95.01395	2.3
97.02972	0.6
99.00890	3.2
101.02455	18.9
102.02776	0.3
102.50473	0.2
111.00887	2.4
113.02457	11.0
114.02805	0.2
119.03514	3.0
125.02515	0.5
125.09722	0.3
129.01961	0.6
131.03456	0.2
141.01961	0.3
143.03497	0.6
148.78835	0.2
159.02980	1.4
161.04568	2.4
179.05641	0.6
209.11816	0.7
209.15459	0.3
225.11285	0.4
283.26370	0.3
329.30817	0.3
429.57813	0.3
455.26443	0.2
491.35886	7.4
492.36163	1.1
653.41272	100.0
654.41608	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	653.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91826	0.5
55.01897	0.7
57.03448	3.2
58.00600	0.8
59.01379	12.4
61.98835	13.7
63.04200	0.5
65.03963	0.5
67.01885	0.6
68.99828	0.9
69.03484	0.8
71.01389	15.7
71.70452	0.6
72.99320	4.5
73.02946	1.7
75.00883	10.8
80.67860	0.4
83.01394	1.7
83.05038	2.5
85.02962	18.4
87.00883	5.3
88.98811	1.0
89.02456	4.9
93.03467	0.6
95.01397	3.6
96.69479	0.4
97.06615	0.6
99.00892	7.9
99.04538	0.6
101.02461	2.7
101.26180	0.4
103.00395	2.6
109.06606	1.5
111.00906	1.0
111.08170	1.7
113.02467	17.0
114.02798	0.5
115.00370	1.4
117.01950	1.9
119.03529	1.2
119.05101	0.7
123.08182	0.7
125.09731	2.5
127.04035	0.7
129.01933	1.1
135.08112	0.5
137.09763	0.5
139.72427	0.4
157.01451	0.5
161.04570	1.0
163.07661	1.0
163.11394	0.7
171.10286	12.6
172.10667	0.5
175.02481	1.9
175.11377	0.5
179.05614	1.0
185.11845	0.6
193.03510	0.8
201.12930	0.5
205.15988	0.7
209.11842	1.6
211.13440	1.5
215.14346	1.7
221.15526	1.0
223.13332	0.5
225.11252	0.7
231.13876	1.6
233.15477	5.7
249.06171	1.5
249.15045	2.8
280.75809	0.5
303.52649	0.4
323.23801	0.5
341.24777	1.2
375.25418	0.6
385.23770	3.3
403.25183	3.9
421.26080	1.3
491.34122	1.3
591.31323	1.2
609.32739	0.9
635.30957	4.5
636.30542	0.8
653.31854	100.0
654.32172	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
56.98758	0.3
57.03437	1.1
58.00595	2.0
58.72806	0.3
59.01382	35.0
60.01711	0.3
61.98835	7.3
67.01866	0.6
68.99818	0.5
69.03455	2.1
70.48460	0.3
71.01388	34.7
71.72253	0.5
71.72620	0.3
72.01741	0.6
72.99315	3.0
73.02956	5.8
75.00875	0.9
81.03481	1.9
83.01403	4.1
83.05041	0.4
84.83891	0.3
85.02961	7.9
85.69510	0.3
86.00118	0.4
87.00883	8.3
87.04521	0.4
89.02457	31.1
90.02793	0.4
91.04018	0.7
93.03446	0.5
95.01411	2.4
97.02406	0.5
97.02969	6.0
99.00885	2.3
99.04531	0.5
101.02459	30.0
102.02773	0.6
103.04007	0.4
109.02966	0.7
111.00884	0.7
111.04532	1.3
113.02471	14.6
114.02780	0.5
115.04010	0.8
119.03524	10.0
121.02988	0.7
122.17962	0.3
124.01673	0.5
124.15530	0.3
125.02470	14.1
125.11670	0.3
127.04057	0.4
129.01903	0.3
131.03525	1.3
132.57552	0.3
133.05103	0.8
134.79907	0.3
135.04469	0.3
137.02440	0.4
139.00349	0.3
139.04016	1.3
141.01970	0.8
143.03522	6.1
149.02480	0.3
149.04581	1.6
155.68816	0.3
161.04558	6.5
167.03513	0.8
169.05141	0.7
171.02951	0.3
179.05626	7.1
185.04671	0.3
199.06184	0.6
203.05614	0.3
204.35365	0.3
209.11844	0.6
217.07188	1.1
219.05148	0.5
221.06648	2.5
235.08229	15.3
236.08611	0.8
245.06613	0.6
253.09302	4.0
255.23293	96.5
256.23630	9.1
263.07697	1.3
269.24905	0.6
277.09341	1.3
287.07764	3.6
305.08746	4.0
306.09152	0.3
323.10043	1.5
361.11404	0.4
379.12540	1.2
397.13525	100.0
398.13879	9.5
415.14572	35.5
416.14871	3.5
471.34763	0.9
472.35443	0.4
473.33591	0.4
475.99738	0.3
653.26642	0.6
653.38049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
59.01378	29.9
61.98832	46.0
71.01392	30.6
71.71513	2.1
72.99323	6.2
73.02953	4.9
75.00890	12.9
76.74290	1.7
83.01392	4.2
85.02957	26.5
87.00887	6.7
89.02462	14.6
95.01414	4.5
96.96000	1.7
99.00905	10.7
101.02461	12.7
103.00371	1.9
111.00896	2.3
113.02465	21.9
117.01983	2.2
119.03525	3.8
125.09769	2.4
127.04214	1.6
161.02498	3.7
161.04530	3.0
163.29179	1.8
171.10307	12.1
175.02522	2.6
179.05641	1.8
205.15732	1.9
209.11882	2.4
211.13362	2.0
233.15450	6.3
249.06169	2.1
249.14954	5.4
385.23666	2.2
403.24887	5.1
421.25986	2.8
535.98645	1.9
591.39063	6.1
593.37372	3.0
635.30817	4.5
653.31897	100.0
653.41333	21.1
654.31958	22.0
654.41388	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	651.4126
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
55.53986	0.2
57.10207	0.2
58.92055	0.2
59.01089	0.2
59.01383	4.8
61.98830	1.6
69.48190	0.2
70.24249	0.4
70.24645	0.5
71.01389	6.1
72.99310	0.4
73.02927	0.4
83.01366	0.4
85.02970	0.4
87.00890	0.4
89.02460	7.8
91.58952	0.2
101.02465	4.5
104.92837	0.5
105.91788	0.2
113.02457	1.8
119.03523	1.7
131.03502	0.8
143.03537	0.8
149.04567	0.7
161.04604	1.3
179.05632	5.5
180.05989	0.2
194.67976	0.2
388.46869	0.2
471.34811	100.0
472.35144	16.2
651.47186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39577	0.6
53.65934	0.7
55.01881	2.2
57.03432	3.1
58.00578	2.3
59.01383	41.4
61.98834	6.3
65.17450	0.6
70.93412	2.3
71.01386	49.2
72.01745	1.5
72.99313	3.1
73.02956	10.6
74.04038	0.8
75.00867	1.1
83.01401	10.5
85.02959	20.6
87.00892	3.5
89.01906	1.7
89.02454	25.5
93.03484	1.9
93.61538	0.7
95.01394	4.7
95.35040	0.7
97.02953	3.7
99.00890	6.1
101.02460	39.1
102.02729	0.9
109.02981	1.6
111.00909	1.4
112.01670	2.1
113.02473	26.3
115.63182	0.7
116.92890	1.5
119.03548	8.5
119.05031	4.8
125.02474	5.9
129.01927	1.1
131.03488	1.2
134.67894	0.8
135.03020	1.1
135.04532	2.0
137.02458	1.0
143.03532	6.7
145.02966	1.3
147.04572	3.7
149.02493	0.9
159.03024	2.7
160.01746	0.7
161.02504	3.8
161.04585	15.6
161.08237	1.2
163.04074	0.9
164.04939	0.8
165.01920	0.8
165.05556	3.9
167.03485	0.9
175.03940	0.8
179.03490	1.4
179.05679	3.6
179.06970	0.7
187.04163	0.8
189.01996	0.8
190.99820	1.0
193.01436	1.0
193.05115	0.9
203.03635	0.8
203.07147	2.3
204.06721	1.0
207.06645	1.9
233.08209	1.2
247.86195	1.0
269.10287	11.6
313.07217	0.8
357.17661	1.0
365.74744	0.9
375.14420	2.0
387.90091	0.8
401.20679	1.4
431.15613	60.6
432.15906	7.9
533.13110	5.6
534.13208	1.3
551.26062	0.7
563.14362	1.6
591.19409	1.1
593.20929	100.0
594.21179	20.2
653.17389	10.5
654.17969	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	651.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.09235	0.3
57.03446	2.7
58.00590	1.0
59.01380	18.2
61.98833	10.1
62.40694	0.3
64.57872	0.3
67.01885	0.9
68.99822	1.6
69.03448	0.9
70.36356	1.5
71.01386	19.9
72.01702	0.4
72.99315	5.4
73.02948	3.3
75.00875	11.4
81.03457	0.5
83.01399	2.4
84.02203	0.3
85.02959	15.4
86.00109	0.4
86.03301	0.4
87.00883	5.3
88.98820	1.3
89.02458	5.5
91.04014	0.5
93.03478	0.9
93.17673	0.3
95.01399	3.8
97.02946	0.8
99.00893	6.7
99.04531	0.3
101.02460	7.1
103.00388	1.6
109.02988	0.4
111.00861	1.5
113.02469	14.4
115.00388	1.8
116.92868	0.8
117.01953	1.4
119.03506	1.1
119.05094	0.4
124.01628	0.5
125.02456	1.0
127.10812	0.3
129.01993	1.5
135.04550	0.6
135.73120	0.4
137.02443	0.4
143.03508	0.4
145.02940	0.5
147.04515	0.4
149.06129	0.5
150.71893	0.3
152.77344	0.3
157.01404	0.9
160.01709	1.1
161.02467	1.7
165.05528	0.7
175.02483	1.8
175.03978	0.7
179.03595	0.4
181.05028	0.4
181.12372	2.4
193.05112	0.5
205.05014	0.4
205.07077	0.4
206.85147	0.4
221.15472	2.5
231.05083	0.4
239.16547	5.8
240.16756	0.4
249.06146	6.3
250.06560	0.6
267.07233	1.6
319.10431	0.4
327.21759	0.6
349.42923	0.4
383.20746	2.1
384.20883	0.4
401.16489	0.7
401.21829	14.1
402.22125	2.2
406.16162	0.4
633.27826	1.4
651.28827	100.0
652.29126	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	651.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03449	2.1
58.00597	1.6
58.73947	0.2
59.01384	32.0
60.01709	0.4
61.98835	4.5
68.99837	0.4
69.03513	0.3
70.86292	0.4
70.86697	0.5
71.01391	33.4
72.01723	0.6
72.99325	2.7
73.02954	7.1
75.00878	0.6
81.03499	0.2
81.98190	0.2
83.00906	0.3
83.01402	4.3
85.02964	15.0
86.03313	0.2
87.00890	1.6
88.98792	0.2
89.02457	16.5
90.02798	0.4
95.01406	2.7
97.02968	1.0
99.00911	3.5
101.02462	21.1
101.73879	0.2
102.02813	0.4
111.00891	1.5
113.02469	11.8
114.02836	0.3
119.03532	5.4
120.03841	0.3
125.02448	0.5
129.01970	0.4
131.03516	0.5
139.00435	0.3
141.01936	0.3
143.03552	1.1
149.04579	0.3
159.03029	1.4
161.04605	3.5
179.05653	1.6
209.11789	0.3
316.76703	0.2
327.29013	0.6
471.33212	1.3
472.33759	0.3
489.34348	11.6
490.34622	1.3
503.30023	0.4
601.27765	0.3
633.28687	0.6
651.39777	100.0
652.40106	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	651.4127
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
50.18207	0.1
58.00602	0.3
59.01383	5.4
61.98832	1.4
67.70731	0.1
71.01390	7.3
71.04314	0.4
71.64139	0.1
72.99306	0.5
73.02937	0.3
73.79147	0.1
77.75687	0.1
83.01403	0.6
85.02970	0.5
87.00889	0.5
89.02458	9.1
95.01427	0.2
97.84811	0.1
101.02461	5.6
101.68008	0.1
104.92826	0.6
113.02470	1.9
119.03516	2.2
121.95178	0.1
125.02558	0.1
131.03503	0.8
141.74466	0.1
143.03526	0.9
149.04604	1.0
156.63002	0.1
161.04568	1.4
179.05627	6.3
180.06012	0.2
213.95474	0.1
255.02238	0.1
471.34802	100.0
472.35156	17.7
651.26135	0.4
651.40540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.5
58.00609	0.4
59.01386	8.5
60.57275	0.3
61.98833	5.1
63.02418	0.7
64.86774	0.4
65.00343	0.8
71.01395	3.6
72.99326	0.6
73.02959	1.0
83.01422	1.7
85.02962	2.4
87.00897	0.4
88.98886	0.4
89.02460	1.9
95.01420	0.9
95.75685	0.3
96.96033	0.4
98.20634	0.9
99.00916	0.6
101.02441	2.3
102.08238	0.4
107.01406	3.9
108.02225	1.4
109.02946	2.4
111.00918	0.6
113.02470	2.0
119.03546	0.5
119.05058	0.4
121.02988	2.2
123.04616	0.4
124.01707	0.4
125.02513	0.9
128.03618	0.4
133.03050	0.6
134.03780	0.5
135.00893	0.8
137.02469	0.6
147.04588	0.7
148.01718	1.7
149.02493	0.8
151.00407	12.7
152.01042	0.5
153.01944	0.4
159.04602	0.5
160.01706	0.7
161.02496	1.3
163.00420	2.5
164.01180	1.2
165.05556	0.8
169.01483	1.0
174.03294	0.8
175.02634	0.4
175.04024	2.0
178.99892	7.4
179.03499	0.9
179.10788	0.5
180.00320	0.4
183.04579	0.5
187.04077	0.7
190.02686	0.5
190.99977	0.6
193.05130	0.6
199.04050	1.0
201.01953	0.8
201.05713	0.7
203.03552	0.7
204.06694	0.5
211.04097	1.4
213.02039	0.4
215.03561	1.1
216.04298	0.8
217.80836	0.4
221.08133	0.4
226.02766	1.6
227.03537	2.7
229.05061	1.1
229.38057	0.6
239.03578	0.6
242.02396	0.5
243.02985	12.1
244.03575	1.1
245.04460	0.8
254.02257	2.0
255.02994	30.5
256.03384	3.2
257.08163	0.4
271.02481	63.7
272.02890	5.8
273.04092	1.0
283.02463	1.4
299.01953	2.7
300.02774	100.0
301.03470	38.7
302.03925	3.4
306.07675	0.6
323.09213	0.5
338.07983	0.4
353.10309	1.8
399.16287	0.6
433.24313	0.5
554.27759	0.7
591.13806	1.6
609.15149	0.7
621.22021	1.4
633.21930	2.6
634.22272	0.7
651.15717	89.3
652.16077	17.3
652.24268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82407	0.5
53.78519	0.4
54.39326	0.4
59.01380	41.4
60.01711	0.6
61.98837	1.2
63.21026	0.4
66.02544	0.4
71.01394	1.6
71.71523	0.7
72.99320	4.2
75.55820	0.4
79.87743	0.4
82.63461	0.5
85.02966	0.7
101.02466	0.9
113.02460	0.5
116.92888	1.0
119.05035	6.0
133.02959	3.1
133.06805	0.4
135.04556	1.3
142.06674	1.6
147.04544	100.0
148.04880	5.5
155.68279	0.4
161.02480	14.2
161.04510	0.5
162.02831	0.6
165.05589	86.0
166.05951	3.6
179.03493	0.7
193.07285	0.6
204.06718	1.4
207.06639	59.1
208.07008	4.3
246.07793	0.6
296.53342	0.5
318.57581	0.5
375.07419	0.5
377.13983	0.5
399.13019	11.6
400.13321	1.4
457.21371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3973
Annotation	Quadranoside I
Peak:m/z	Relative Intensity
57.36950	0.3
59.01385	5.1
61.98832	3.7
69.54274	2.6
71.01389	6.6
72.99331	0.3
75.11787	0.3
78.16667	0.3
80.09765	0.3
82.44733	0.3
83.01399	0.4
85.02967	0.6
87.00889	0.3
89.02458	8.0
98.20576	0.6
100.23920	0.3
101.02454	5.2
104.92830	1.2
113.02493	1.5
119.03530	1.9
125.02465	0.6
131.03519	0.7
133.03006	0.4
143.03552	0.7
149.04617	0.6
161.02448	0.6
161.04552	1.0
163.04063	0.3
179.05650	5.3
233.15475	0.4
277.21661	0.4
339.23322	1.2
354.25613	1.1
386.24594	1.1
396.04755	0.3
451.32178	0.7
452.32584	0.4
469.33255	100.0
470.33612	17.3
485.32834	0.6
486.32935	0.4
487.33597	0.8
649.25653	1.4
649.37775	1.8
650.26239	0.4
650.38068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
61.98833	1.4
68.07478	0.2
71.01392	4.8
71.71786	0.3
72.99306	0.3
83.01396	0.4
85.02976	0.4
87.00900	0.4
88.98789	0.2
89.02460	5.8
101.02462	4.3
104.92834	1.1
113.02476	0.9
119.03535	1.7
125.18090	0.2
131.03532	0.6
143.03545	0.5
149.04582	0.6
154.64536	0.2
161.04570	1.0
179.05644	4.4
236.69482	0.2
274.12149	0.3
343.19135	1.7
429.43253	0.2
469.33234	100.0
470.33600	18.1
470.43460	0.3
569.87762	0.2
649.24500	0.6
649.36206	0.3
649.45929	0.4
650.25500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03448	20.1
58.00598	2.6
58.03791	0.6
59.01380	48.5
61.98833	11.0
63.36996	0.4
69.03458	0.4
70.62763	0.8
70.79178	0.3
71.01389	33.6
71.66897	0.3
72.99307	4.3
73.02943	2.0
78.95921	0.5
81.03471	0.4
83.01386	2.9
85.02961	7.5
85.45329	0.3
87.00898	1.5
88.98818	0.9
89.02453	30.6
90.02806	0.5
95.01399	2.8
99.00903	0.9
99.04535	10.2
100.04859	0.5
101.02455	25.0
102.20063	0.3
108.02226	0.4
109.02991	1.5
111.00897	1.2
113.02470	12.8
119.03522	10.8
119.05013	0.7
121.02972	0.6
123.00882	2.3
124.01670	1.3
125.02465	5.8
131.03519	0.6
134.03745	0.7
136.01677	10.3
137.02484	2.0
143.03520	1.7
144.51321	0.4
148.05408	0.5
149.04628	0.6
149.06076	0.9
151.04021	15.1
152.04364	0.4
158.06009	0.3
161.02509	0.7
161.04608	1.5
163.04060	0.6
163.07655	0.5
165.05614	3.3
171.10338	0.7
175.07695	1.5
176.08440	0.5
179.05600	4.0
191.07195	0.8
264.10281	0.4
280.23218	0.4
310.12164	1.1
325.14526	1.1
328.13199	5.3
329.13571	0.7
343.15503	48.0
344.15906	5.7
344.19803	0.6
357.30054	0.4
441.30209	0.8
487.19846	0.9
487.34171	0.8
505.21136	1.3
631.30920	0.6
634.25763	0.4
649.39691	100.0
650.40063	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	649.3966
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
59.01381	3.2
61.98830	1.1
62.03788	0.2
71.01389	4.2
71.71721	0.3
73.02953	0.2
73.03594	0.1
80.81847	0.2
81.53964	0.2
83.01403	0.3
85.02966	0.2
89.02454	5.5
92.35232	0.2
95.01373	0.2
101.02454	3.9
102.18771	0.2
104.92825	1.0
113.02473	0.9
119.03539	1.4
131.03523	0.5
143.03508	0.7
149.04593	0.6
161.04604	0.8
179.05615	3.6
180.05951	0.2
217.96899	0.2
231.06859	0.2
253.32170	0.2
284.68845	0.2
319.87943	0.2
343.19067	2.1
344.19604	0.2
373.15878	0.2
451.31821	0.2
469.33228	100.0
470.33572	18.2
501.32092	1.2
649.24249	0.7
649.44849	0.7
650.24817	0.2
650.45349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
58.00584	0.2
58.54791	0.2
59.01086	0.3
59.01377	4.6
61.98812	0.3
70.55614	0.8
71.01387	5.1
72.99311	0.2
73.02940	0.3
81.49541	0.2
83.01379	0.4
85.02937	0.5
87.00857	0.3
89.02460	8.0
98.19827	0.2
101.02459	5.4
104.92811	0.2
111.18561	0.2
113.02445	1.4
117.86511	0.2
119.03510	2.1
128.01666	0.2
131.03494	0.8
143.03514	0.8
143.72391	0.2
149.04555	0.8
161.04604	1.2
179.04086	0.3
179.05632	5.2
204.50372	0.2
316.43115	0.2
469.33231	100.0
470.33578	18.0
649.39380	0.3
652.86432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3974
Annotation	Arjunetin
Peak:m/z	Relative Intensity
57.03445	1.0
59.01379	3.5
61.98834	3.9
71.01382	3.4
71.71337	0.8
83.05032	0.9
88.58799	0.4
89.02471	4.7
101.02452	3.7
104.92823	1.6
113.02443	1.0
119.03516	1.3
121.03001	0.5
125.02507	0.4
130.99495	0.5
131.03578	0.5
131.33629	0.4
131.80927	0.4
143.03481	0.6
148.44472	0.3
149.04593	0.5
151.04126	0.5
152.99631	0.4
161.02475	0.4
161.04573	0.7
165.05565	0.5
179.05679	2.9
283.56647	0.4
293.03583	0.4
297.95163	0.4
371.29865	0.4
405.31583	1.0
407.33417	0.6
421.31253	0.5
423.32629	2.1
424.32959	0.5
425.34268	12.3
426.34570	1.8
453.33740	0.6
469.33255	100.0
470.33566	19.1
487.34143	0.9
649.24628	0.5
649.38251	2.2
650.37927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73493	0.2
57.03522	1.2
59.01131	0.6
59.01458	4.6
60.01804	0.3
60.99389	1.3
61.98564	0.7
61.98914	5.3
69.03530	0.5
70.61696	0.2
71.01477	2.5
71.70665	0.3
71.71025	0.3
73.03020	0.5
76.21447	0.3
83.01462	0.6
83.05156	0.3
85.03081	1.4
86.10651	0.2
87.00976	0.5
88.98927	0.5
89.02573	1.3
95.01478	0.3
99.01054	0.3
101.02561	1.7
113.02596	1.6
114.63250	0.3
119.03587	0.4
131.03627	0.3
145.02133	0.2
145.03127	1.0
161.02597	0.5
161.04721	0.9
163.04088	0.6
171.10291	3.2
209.11873	2.3
220.07889	0.3
227.13065	0.4
265.07117	0.3
367.10547	0.3
372.26843	0.3
381.31833	1.0
404.25760	0.4
425.30658	3.0
426.31094	0.3
443.31671	4.8
444.32132	0.8
455.27255	0.3
487.30670	100.0
488.31015	16.2
501.32172	0.7
529.31653	10.3
530.32257	1.8
559.18823	0.3
559.32928	0.3
571.33112	0.4
589.33026	0.4
605.40973	1.3
606.41119	0.3
631.30219	0.4
649.36121	16.4
650.36267	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	647.3814
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
59.01382	4.4
60.99316	0.8
61.98836	3.7
70.36560	1.2
71.01387	1.9
85.02992	0.6
89.02478	1.1
95.01391	0.2
95.14312	0.2
101.02486	1.6
113.02488	0.7
114.09550	0.2
118.73205	0.3
119.03553	0.3
125.02517	0.4
131.28455	0.3
160.84276	0.4
161.04547	0.5
247.88484	0.3
249.18578	0.9
310.91302	0.3
387.07529	0.3
397.13531	1.2
415.14572	0.4
423.32700	5.1
424.33084	0.9
437.34360	0.5
443.23605	0.3
485.32724	100.0
486.33096	16.2
499.34549	1.6
527.33795	6.3
528.34131	1.0
587.34399	1.3
605.40564	0.4
647.38135	39.9
648.38495	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	649.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35331	0.6
59.01385	7.4
59.01662	0.6
61.98830	15.0
69.78684	5.0
71.01393	3.1
72.99323	0.7
82.02980	3.2
83.01420	1.0
85.02989	1.8
86.02540	0.6
86.34027	0.6
87.00982	0.6
88.98845	1.4
89.02493	1.5
94.02995	42.8
95.03837	1.3
96.04617	2.4
101.02495	2.7
105.05882	1.2
108.01446	0.6
108.02244	0.7
108.04629	2.4
110.06184	1.6
110.81844	0.5
111.00979	0.8
113.02521	1.6
117.03558	1.1
119.03622	0.9
119.05105	0.8
120.08208	32.4
121.08571	1.5
122.06171	2.6
124.04152	1.1
124.07717	3.8
125.02503	1.1
134.06181	1.1
135.04584	2.3
136.04092	1.2
136.07785	0.7
136.71748	0.6
137.04887	1.9
138.05634	20.7
139.06044	0.7
139.09665	0.8
144.04561	6.5
145.03041	2.6
150.05626	1.5
152.07248	1.1
155.07112	0.7
160.01721	0.6
160.04105	1.6
161.02475	2.3
161.04805	2.4
162.05638	1.5
164.07242	2.8
167.03564	1.0
172.04150	0.9
172.07721	1.2
173.04857	1.0
174.05582	3.0
175.02580	0.8
175.04066	1.0
188.03615	1.8
189.05658	0.9
190.31223	0.7
193.05138	0.8
203.05887	6.4
204.06705	1.8
205.05081	0.8
213.10246	0.6
215.11963	1.9
217.13513	2.0
222.08073	1.1
223.08633	3.4
223.12416	0.7
236.09541	3.7
237.10310	4.4
238.11143	1.5
239.08269	1.0
239.11942	1.5
240.77129	0.7
241.13470	1.1
248.09636	0.7
249.10344	1.8
249.14122	1.0
250.07573	1.1
250.11089	2.4
251.11888	28.0
252.09750	0.7
252.12363	4.2
253.09778	0.9
257.13049	0.9
261.12512	0.8
262.07446	0.7
263.08191	5.9
263.11865	5.0
264.09119	5.0
264.12552	1.2
265.09796	1.7
265.13400	5.1
266.10684	1.8
266.13705	0.7
267.08163	1.1
267.11429	1.6
268.08502	1.2
269.09219	0.9
269.13019	0.9
270.20169	0.6
275.08499	0.6
275.11835	1.1
276.09039	4.1
277.09833	22.0
278.10596	9.2
279.11288	4.6
281.12857	0.6
282.10159	1.9
283.10718	1.2
285.12524	2.0
291.11392	29.3
292.12155	35.5
293.09360	1.2
293.12906	24.7
294.13248	4.1
295.10898	2.1
296.11676	2.1
297.12317	0.8
303.13641	1.6
306.10202	1.6
310.09604	1.1
319.10986	2.3
324.11203	7.6
325.11734	1.9
325.15356	0.8
327.13364	3.2
335.10376	11.1
336.11118	12.2
337.11871	8.5
338.12579	1.5
346.15588	2.3
360.17325	0.9
361.17776	0.8
372.13641	0.8
374.18796	7.9
375.19293	3.4
376.20386	1.9
377.20627	0.7
386.14935	1.0
388.16730	2.5
389.17355	1.6
401.17041	1.3
402.18369	1.8
414.18124	1.6
415.18961	1.6
416.19843	14.0
417.20486	3.5
420.19308	8.4
434.21039	3.1
442.18228	1.0
443.18262	1.9
446.17035	0.8
448.22513	1.8
460.18802	25.6
461.19431	13.5
462.19962	2.0
471.24194	0.9
480.21445	1.3
486.33298	1.2
492.21393	100.0
493.21704	17.1
513.25220	5.1
514.24658	1.1
531.25964	1.8
555.26392	4.1
557.24109	8.2
558.24506	1.8
559.25458	1.5
573.27203	5.2
574.27386	1.4
589.26666	15.6
590.27356	3.2
599.25128	19.2
600.25433	4.1
605.28607	1.0
617.26331	53.9
618.26495	10.4
631.27899	16.8
631.36456	0.5
631.38202	0.8
632.28033	4.1
649.28857	44.2
650.29187	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	647.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70283	0.4
54.00314	0.4
54.05188	0.4
57.75247	0.5
59.01384	1.5
61.98832	3.5
71.01376	1.2
71.05022	1.8
73.02962	0.8
76.43826	0.4
77.32649	0.4
85.02962	0.6
89.02448	0.8
93.31456	0.4
95.01359	0.5
98.20642	1.1
101.02459	5.1
105.38998	0.4
112.90472	0.4
113.02493	1.2
122.31015	0.4
131.03546	1.1
160.84264	1.1
161.04584	2.3
162.83931	2.0
175.81723	0.4
216.96722	0.5
272.45053	0.5
289.71216	0.5
393.31720	0.5
423.32718	1.7
424.32782	0.6
425.30722	1.5
437.30865	1.2
441.33975	0.8
467.31747	11.9
468.32013	2.4
485.32736	100.0
486.33115	18.3
487.33572	0.5
601.07196	0.5
647.37726	1.0
648.17035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	0.3
59.01376	3.8
60.99301	1.0
61.98829	3.2
69.53329	2.2
71.01385	3.0
72.99316	0.5
73.02943	0.7
83.01405	0.5
84.30251	0.2
85.02953	1.0
87.00910	0.3
87.68410	0.2
89.02458	1.5
98.49342	0.2
99.00882	0.5
101.02464	1.9
111.00938	0.4
112.21753	0.2
113.02473	1.4
115.97673	0.2
119.03500	0.4
125.02401	0.3
130.19572	0.3
131.31291	0.3
160.84227	0.5
161.04585	0.6
209.11752	0.4
257.30859	0.3
397.13519	0.6
407.92432	0.3
423.32748	4.2
424.32935	0.8
425.29044	0.6
485.32718	100.0
486.33054	16.7
490.72995	0.3
499.34308	1.5
527.33771	6.6
528.34021	1.1
569.34247	0.3
586.89868	0.3
587.34363	4.6
588.34906	0.8
605.40247	0.4
647.38153	38.2
648.38409	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	644.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.32654	0.7
55.50647	0.5
57.03448	1.6
58.00603	3.2
59.01381	63.0
61.98833	25.7
69.44476	0.6
70.80890	0.5
71.01390	39.6
71.12506	1.3
72.99315	12.2
73.02939	1.7
75.00869	2.7
81.41351	0.5
83.01397	4.2
85.02959	8.9
87.00877	1.5
88.98823	1.5
89.02456	31.6
90.15119	0.6
90.27137	0.5
90.40808	0.7
95.01394	3.7
99.00898	1.8
101.02455	26.9
111.00912	1.0
111.82192	0.5
113.02465	15.3
114.02840	0.7
116.21405	0.5
117.31695	0.6
119.03524	11.0
120.03872	0.6
122.06100	1.0
125.02450	0.8
129.01967	0.8
139.00394	0.8
143.03513	1.6
144.08121	0.7
147.04497	0.5
149.04524	0.7
149.06053	0.6
149.51183	0.5
156.08171	1.2
157.05389	0.8
158.06155	0.6
161.02448	2.2
161.04544	1.6
165.05620	0.9
168.08167	0.9
170.09760	1.6
175.04012	0.7
179.03574	0.7
179.05603	1.9
180.08159	2.6
184.07750	1.4
186.05592	0.8
187.07671	1.9
194.09721	0.6
195.53139	0.6
197.11739	0.6
199.09819	0.9
209.11931	1.4
215.07101	1.1
253.09511	0.8
257.08194	1.8
285.14389	0.6
288.17639	1.3
290.19067	1.0
300.17465	1.4
301.11798	1.2
316.20718	14.8
317.21014	2.0
332.20248	2.3
334.21497	1.1
355.83948	0.7
360.19711	15.0
361.19940	2.8
378.20743	9.3
379.21094	1.3
420.21530	1.1
478.19812	1.3
481.28247	0.7
482.27884	3.5
483.28516	0.8
496.27295	1.3
540.25995	60.7
541.26367	12.2
558.27112	28.0
558.35913	0.9
559.27374	5.8
569.23907	1.6
583.63757	0.6
600.28168	100.0
601.28412	22.0
613.22900	0.9
644.37573	0.7
645.29108	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	647.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38837	0.3
55.01882	2.6
57.03444	2.3
58.00593	2.3
59.01381	42.2
60.01715	0.7
61.98834	9.4
69.03445	0.4
71.01389	45.6
71.70973	0.5
72.01724	0.6
72.99316	3.2
73.02952	8.2
75.00891	1.2
83.01402	4.6
84.02183	0.4
85.02963	17.2
86.03311	0.4
87.00880	2.4
87.04506	0.6
88.98815	0.5
89.02457	26.1
95.01408	4.0
97.02972	1.0
99.00896	3.5
101.02459	26.7
102.02831	0.6
111.00922	1.5
113.02471	16.1
114.02841	0.5
119.03529	10.0
119.05038	1.3
121.02969	0.4
124.04091	0.7
125.02483	1.4
129.01974	1.9
131.03526	1.1
133.02991	0.6
135.04587	0.5
137.02460	0.4
139.00462	0.5
139.04065	0.4
143.03560	2.7
145.02968	1.4
147.04546	1.8
149.04535	0.5
159.03018	1.1
161.02454	1.1
161.04576	6.4
163.04063	1.1
165.05548	2.8
167.03358	0.3
174.12912	0.7
177.05801	0.3
179.03433	0.4
179.05652	4.0
187.07613	0.4
189.05577	0.4
201.11317	1.0
207.06726	0.4
209.11900	0.7
221.04593	0.3
235.06108	0.4
265.07166	0.6
295.10681	0.4
319.13324	0.4
325.09152	0.3
367.09860	0.4
467.30280	0.4
485.31216	19.1
486.31509	2.6
550.24677	0.4
571.24762	0.4
585.29150	0.9
603.27924	0.4
615.25183	0.6
617.31073	0.6
647.36652	100.0
648.36957	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66251	1.0
59.01384	64.2
59.61026	1.0
60.01691	1.1
61.98835	57.3
71.01390	19.0
71.71302	2.4
72.99326	7.7
73.02954	3.1
83.01403	2.7
83.05036	1.4
85.02960	4.4
88.90038	1.2
88.98817	1.4
89.02455	15.4
95.01399	3.1
96.96017	1.6
101.02461	13.4
108.04563	1.5
111.00877	1.5
113.02474	7.5
116.05125	3.0
119.03512	5.5
122.06152	13.9
125.02505	1.3
130.06671	2.4
135.04587	1.3
138.91643	1.2
141.09239	1.3
142.06641	25.0
144.04597	2.1
152.07269	1.3
157.05318	1.9
158.06107	9.1
161.02460	1.7
161.04637	1.8
179.03458	1.6
185.04735	1.6
186.05634	23.0
187.05925	1.5
197.11856	4.0
203.05891	2.3
204.06673	33.6
205.07130	2.5
209.11838	4.1
210.15096	1.6
227.12875	2.3
239.60428	1.2
256.75742	1.3
265.09647	2.1
276.08975	1.7
277.09836	3.6
291.11343	2.5
297.65112	1.2
301.15610	2.2
318.10150	5.7
325.11810	1.2
342.12479	1.2
350.12610	1.8
360.19772	1.6
378.20865	9.6
379.20792	1.7
420.21686	2.1
432.19305	3.7
440.16141	1.4
492.21344	4.6
504.21243	11.7
522.22449	28.3
548.22772	1.4
558.27148	21.3
559.27167	3.2
595.25427	2.2
600.28180	100.0
601.28479	22.3
612.24323	1.7
613.26685	2.6
615.28406	2.6
627.28558	5.7
645.29340	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	644.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28547	1.5
55.01880	1.6
58.00591	3.5
59.01384	69.6
61.98835	74.6
69.56902	14.2
71.01389	52.5
71.48151	1.6
72.99318	11.0
73.02957	2.4
75.00878	3.6
83.01392	4.5
85.02946	10.9
87.00909	1.9
88.98820	3.5
89.02456	30.1
89.73442	1.5
95.01402	6.0
98.19833	1.6
101.02461	26.5
111.00907	3.1
113.02464	20.2
119.03548	11.9
125.02489	5.3
145.02936	2.5
148.09344	1.6
157.79306	1.5
158.06004	2.0
160.01630	2.1
161.02492	4.8
161.04544	2.1
162.69391	1.6
165.05510	1.6
167.03581	2.9
170.09805	1.7
174.62192	1.6
175.03987	2.1
179.03610	2.3
179.05649	3.0
197.11911	3.0
199.09724	2.5
201.11243	2.1
209.11836	7.2
215.07234	2.2
227.12929	2.6
258.41644	1.9
316.20709	15.6
332.20258	2.7
360.19608	8.9
361.20001	2.6
378.20636	9.5
446.00232	1.8
517.04810	2.0
540.26007	55.4
541.26331	10.0
558.27130	22.6
559.27374	3.6
600.28156	100.0
601.28400	22.9
644.37335	3.2
645.27435	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	643.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01085	0.8
59.01381	11.3
61.98839	1.0
67.01873	0.8
68.99809	1.2
69.03466	1.3
71.01383	10.4
71.71523	0.8
72.99332	2.5
73.02946	1.6
75.00880	9.5
81.03475	0.6
83.01381	0.7
85.02966	13.0
87.00869	4.1
89.02451	2.9
91.04012	0.7
92.43402	0.5
93.03502	0.6
95.01379	3.8
99.00894	6.6
100.14453	0.7
101.02467	1.3
103.00425	0.9
109.02927	0.6
111.00890	1.1
113.02470	13.9
115.00365	0.9
117.01965	2.2
121.02975	55.5
122.03320	2.3
125.02426	0.6
129.01953	1.4
147.04552	0.6
165.05579	1.4
165.24373	0.5
174.01746	1.3
175.02515	2.0
188.24773	0.5
189.04039	0.7
193.05074	1.0
195.06609	0.7
197.89082	0.5
201.11339	1.7
204.06688	0.7
209.11852	2.3
231.05095	3.4
249.06154	38.0
250.06505	2.1
255.23416	0.7
315.25925	0.6
353.08914	0.6
371.09860	100.0
372.10178	10.1
397.13611	1.6
415.14523	1.2
599.25555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27049	0.4
53.34050	0.5
58.87313	0.4
59.01376	1.8
60.58620	0.4
61.98832	11.0
62.47711	0.4
62.98837	0.4
63.82768	0.4
70.47306	1.0
70.47696	1.3
71.01387	0.7
83.01390	0.5
89.02461	0.5
94.02990	1.3
98.82808	0.4
101.44574	0.5
107.01401	0.9
108.02179	0.9
122.94365	0.4
132.62973	0.5
135.04478	0.7
138.01985	1.5
142.06635	2.1
148.01663	0.9
151.00401	4.0
161.02469	0.6
163.00436	0.6
174.70416	0.4
178.99907	3.3
179.03535	0.5
186.05612	0.7
199.04016	0.7
204.06621	0.7
226.02765	1.0
227.03505	2.4
243.02966	6.8
244.03510	0.7
246.05016	0.5
246.07695	1.1
254.02216	2.1
255.02985	22.1
256.03372	1.9
271.02481	45.5
272.02939	5.2
282.06183	0.7
299.01913	2.0
300.02765	100.0
301.03256	11.7
318.02295	0.4
579.13605	98.3
580.04773	0.8
580.13995	16.5
641.26257	0.6
641.37103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.98832	100.0
62.98546	0.2
69.50996	0.2
69.51407	0.6
71.01398	0.2
85.02946	0.1
87.00903	0.1
88.98804	0.2
89.02469	0.2
101.02480	0.2
113.02457	0.1
121.02975	0.5
125.02496	0.2
126.02848	0.1
133.02992	0.2
135.04573	0.2
135.92964	0.1
142.06685	0.1
161.02481	0.4
162.02864	0.1
165.05592	0.2
168.67892	0.1
175.04155	0.1
178.99835	0.1
179.03503	0.1
197.37404	0.1
211.09818	0.1
227.03232	0.1
255.03017	0.2
271.02414	0.4
300.02756	0.8
301.03351	0.2
443.19455	0.2
556.42474	0.1
579.13354	0.7
580.14398	0.2
620.62122	0.1
643.29742	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	641.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
57.03379	0.1
59.01376	1.5
61.98833	1.0
69.03462	0.4
69.61750	0.1
71.01386	1.4
71.04265	0.3
73.02958	0.4
81.03478	0.2
81.55169	0.1
83.01409	0.2
83.05028	0.2
83.07906	0.1
85.02957	0.4
87.00883	0.4
89.02457	1.0
89.30311	0.1
95.01363	0.1
97.06548	0.1
101.02456	1.2
111.08148	0.1
112.43529	0.1
113.02450	0.8
116.92870	0.1
119.03519	0.3
125.02458	0.1
131.03452	0.1
133.05078	0.1
137.09770	0.1
143.03479	0.1
145.05109	0.2
155.10814	0.2
161.04546	0.6
165.12889	0.2
167.10756	0.2
167.14383	0.5
179.05649	0.3
181.12358	0.1
183.13918	6.4
184.14311	0.4
193.12346	1.8
194.12578	0.1
211.13406	100.0
212.13739	6.1
235.08214	1.4
253.09288	3.9
254.09628	0.3
304.65228	0.1
318.48785	0.1
387.25500	0.6
405.26471	0.3
429.21262	0.8
447.22342	5.4
448.22824	0.8
597.32361	0.1
623.34534	1.1
624.35083	0.2
641.35474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
60.24924	0.4
61.98835	3.7
67.60297	0.3
67.98941	0.4
69.50756	0.4
70.86928	1.1
71.13419	0.4
71.74981	0.3
83.01395	0.5
92.24292	0.4
93.74216	0.4
107.01433	0.7
108.02168	1.4
121.02937	0.5
125.02495	0.6
135.00897	0.4
137.38152	0.4
140.44571	0.3
142.06696	0.6
148.01732	0.6
151.00415	3.7
163.00356	0.6
164.01155	0.7
178.99908	2.7
203.91212	0.4
204.06697	0.4
215.03549	0.4
216.04283	0.4
226.02750	1.1
227.03471	1.3
243.02998	6.7
244.03549	1.0
254.02209	1.5
255.02989	19.7
256.03360	1.4
271.02475	47.3
272.02930	4.6
299.02042	1.8
300.02771	100.0
301.03235	12.1
410.12576	0.4
429.08533	0.4
579.13617	94.7
580.04761	0.8
580.13959	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	641.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75145	1.6
59.01381	63.3
61.98818	3.8
66.48627	1.6
71.01389	21.3
72.99317	8.0
73.02959	3.8
73.32452	1.7
75.00875	2.6
84.67443	1.9
85.02967	8.1
87.00882	3.8
88.98820	8.4
89.02453	12.0
93.03460	2.4
98.20627	7.0
99.00888	3.5
99.92593	2.9
101.02447	12.8
104.38201	2.1
112.52263	1.6
113.02491	8.3
116.92879	28.2
117.01959	4.3
117.92936	1.7
119.03516	4.8
119.04969	4.2
123.00919	5.0
125.02385	3.2
135.04561	3.3
136.01666	6.3
137.02478	3.4
138.03287	11.0
143.03549	2.0
147.04543	84.4
148.04887	5.0
150.03279	3.5
151.03947	6.8
153.05594	6.7
161.02438	4.5
161.04494	1.7
165.05592	73.9
166.05928	6.8
175.02464	2.3
175.03993	2.5
179.03497	2.3
179.05695	2.3
187.04071	2.0
193.39424	1.7
195.06671	5.6
207.06627	54.1
208.07013	4.5
217.05156	1.9
225.11340	2.6
230.78677	2.1
233.08170	4.7
249.77863	1.9
254.21049	1.7
257.95569	1.7
262.04630	1.9
314.71280	1.7
340.09302	2.5
341.10190	2.3
355.12112	1.9
356.08804	1.7
358.10535	3.2
359.11240	4.5
359.15906	1.9
361.16718	3.9
371.11548	3.9
373.12842	9.0
389.12662	2.9
404.14923	6.7
405.15479	3.7
419.17142	12.0
420.17722	2.2
445.16287	2.4
470.34222	2.0
581.22424	100.0
582.22607	21.1
640.69794	1.8
641.27490	16.5
642.26996	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	641.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
60.99308	15.5
61.40844	0.2
61.98832	23.5
71.01387	2.1
72.99325	0.4
73.02946	0.5
75.00865	0.4
83.01392	0.6
85.02967	1.1
85.06593	0.2
87.00881	0.3
88.98816	100.0
89.02441	1.5
89.99167	1.0
93.03453	0.4
95.01393	0.3
101.02463	1.4
104.82787	0.2
111.00916	1.1
113.02452	0.8
115.00390	0.2
116.92847	0.4
119.03548	0.5
119.05057	0.3
121.02962	0.4
124.01721	0.3
125.02429	0.5
131.03429	0.3
133.02982	3.9
134.03780	0.5
135.04562	1.5
137.02451	0.3
139.04083	0.2
142.06519	0.3
145.03017	0.4
146.59616	0.2
150.03259	0.4
151.00327	0.3
160.87262	0.2
161.02466	15.3
161.04648	0.7
162.02838	0.8
163.04088	0.3
165.05573	0.8
166.02724	0.3
175.04015	0.2
177.01952	0.3
177.05714	0.3
179.03511	0.9
179.05652	0.4
181.05063	0.7
184.14229	0.3
191.07204	0.3
193.05077	0.4
193.07007	0.3
195.06616	0.6
204.06633	0.3
209.08340	0.3
223.17514	0.3
255.03064	0.4
271.02383	0.5
283.10776	0.4
287.09094	0.2
300.02823	1.6
301.76160	0.2
323.07693	0.5
418.15732	0.4
419.16284	1.1
428.71753	0.2
443.19061	1.3
444.20197	0.2
479.20151	0.3
551.24933	18.7
552.25287	3.9
553.77673	0.4
579.13977	1.0
581.30920	0.3
641.25763	0.7
641.38220	0.3
642.39166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35211	0.4
57.03448	7.8
59.01381	8.6
60.01690	0.3
60.99280	0.4
61.98834	52.4
63.02412	0.8
65.00329	3.4
69.12074	0.4
70.01064	2.5
71.01390	4.4
71.05051	0.4
72.99318	1.1
73.02956	1.1
75.00886	1.1
77.29517	0.4
81.03476	0.4
83.01401	6.2
85.02958	2.7
87.00890	0.7
88.98825	2.9
89.02447	3.1
93.03485	1.2
95.01394	1.2
97.02959	0.5
101.02455	2.4
105.64371	0.4
107.01421	4.6
108.02211	0.9
109.02985	3.2
111.00909	1.8
113.02459	1.8
115.00368	0.6
116.92899	1.5
119.03519	1.2
119.05028	0.7
121.02964	2.2
122.03799	0.4
123.04539	3.8
124.01695	1.5
125.02465	70.0
126.02768	2.1
132.02209	0.8
133.02966	2.9
134.03801	2.5
135.00897	0.9
135.03000	0.4
135.04561	1.4
137.02483	2.2
139.04054	1.6
142.06691	1.4
143.06989	0.7
145.02974	0.6
147.04514	2.0
149.02455	7.0
149.06100	0.7
149.99649	0.6
150.03264	2.3
151.00392	20.2
151.04004	2.6
152.01187	3.3
153.00688	0.7
153.01952	15.4
159.04477	0.6
160.01682	3.6
161.02484	5.6
161.04608	1.0
161.06071	1.0
163.00395	10.9
163.04021	0.6
164.00989	0.6
165.01964	0.9
165.05602	1.1
166.02760	0.4
167.03482	0.8
169.01453	1.6
171.04558	1.6
173.02477	0.5
173.06075	1.1
174.03217	1.7
175.04019	17.9
176.01173	6.0
176.04419	0.7
177.01949	19.5
178.02362	1.1
178.98241	0.5
178.99872	10.1
179.03471	0.9
179.05685	1.5
181.01480	1.2
183.13905	0.9
185.06070	1.2
186.05605	0.8
187.04063	0.6
188.04820	1.6
189.05591	3.8
191.03542	1.3
191.07137	0.6
193.05170	2.2
193.06938	0.5
195.02902	0.7
195.04573	0.8
195.06638	0.4
197.06140	1.0
198.03297	0.7
199.04037	8.8
200.04501	0.5
201.01875	2.4
204.06685	1.4
205.07011	0.4
211.03986	0.6
212.04713	0.5
213.05630	2.1
214.02718	0.5
215.03514	1.2
215.07207	0.5
216.04224	0.7
217.05080	9.8
218.05347	0.6
225.05553	0.4
229.05038	0.7
231.06641	1.3
235.06036	0.6
239.03470	1.0
241.05043	7.0
242.02078	0.5
242.05602	0.5
243.02945	2.2
246.07669	0.6
246.84875	0.4
257.04507	1.8
259.06091	3.1
260.06763	0.4
267.02948	1.3
271.02444	0.6
275.05606	7.6
276.05893	0.8
284.03290	2.0
285.04047	100.0
286.04385	8.9
295.08170	0.7
299.05600	0.5
300.02765	1.0
303.05106	78.7
304.05478	7.2
327.05167	1.0
337.09354	0.5
381.09238	0.5
443.19324	1.0
447.09097	0.7
472.75278	0.6
478.20175	0.6
491.11871	0.7
517.09937	3.4
518.09930	0.7
579.13501	1.8
580.30328	0.6
623.14398	3.4
628.34100	0.5
641.15204	12.0
641.26312	2.3
642.15668	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	639.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03448	2.5
58.00592	1.4
59.01378	18.2
61.98832	17.5
65.03972	2.6
71.01389	18.9
71.40966	0.9
72.99326	2.2
73.02953	5.2
80.02680	0.6
81.03450	1.6
83.01392	2.7
83.05025	4.8
85.02953	6.8
85.06598	1.9
86.00107	0.5
87.00882	7.1
89.02457	7.9
91.05534	1.6
93.03474	1.1
93.07175	0.4
95.01394	1.6
95.05038	1.7
97.02955	1.1
97.06600	4.0
99.00889	1.5
101.02455	13.3
103.04047	0.9
103.05501	0.6
105.07120	1.1
107.05026	0.8
107.08710	0.7
109.02957	0.5
109.06622	2.3
111.00901	1.2
111.04509	0.9
111.08171	3.8
113.02467	8.3
119.03568	0.9
119.05027	1.1
119.08674	0.8
120.05850	0.4
121.06609	0.7
121.18550	0.4
123.08163	1.9
125.02460	2.2
125.09746	12.8
127.04076	0.5
133.05084	1.1
133.06593	0.7
135.08192	1.5
137.09717	1.8
143.03561	1.2
145.05081	3.8
151.11292	0.8
153.09239	0.6
155.10846	0.5
159.08136	0.6
159.11838	0.5
161.04596	4.6
163.11357	1.1
167.10710	0.5
171.10292	46.4
172.10597	1.5
177.09227	0.6
177.12993	0.6
179.05608	1.4
183.13904	1.3
185.11844	2.0
187.09750	0.7
187.11238	0.6
187.14915	1.2
189.16501	1.3
197.13387	0.6
201.12917	0.9
203.14417	0.6
205.15984	3.7
207.13866	1.9
209.11853	18.7
210.12216	1.4
211.13391	18.7
212.13741	1.1
213.12798	0.9
213.14772	0.6
215.14421	12.2
216.14702	1.1
221.15456	2.5
229.16026	0.5
231.13921	3.8
233.15466	37.0
234.15718	2.3
235.08270	8.3
235.13380	1.5
247.17044	1.0
249.14963	20.0
250.15240	1.9
251.16550	2.2
253.09271	4.8
257.17563	0.9
273.15170	0.8
283.19141	0.5
313.25537	1.3
323.23822	1.4
331.26328	3.2
339.23047	0.7
341.24979	5.0
342.25293	0.8
346.29105	0.5
357.24301	1.4
359.25775	2.2
367.22708	3.6
368.23181	0.9
375.25439	5.5
375.30136	0.6
375.31769	0.4
376.25742	0.5
377.26819	0.7
385.23822	24.6
386.24030	3.5
393.26410	2.0
394.26926	0.5
403.24890	35.7
404.25314	4.2
405.17630	1.0
405.26151	0.5
407.19229	1.6
421.26010	9.2
422.26309	1.4
445.20865	0.9
447.22220	0.7
449.52560	0.5
467.22693	1.0
477.28799	1.0
485.23724	2.3
486.24149	0.6
495.29544	0.5
501.08676	0.5
501.29016	0.6
593.33350	0.8
611.34808	2.7
621.32935	100.0
622.33289	20.4
639.33923	48.7
640.34393	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	639.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64932	0.4
51.75388	0.4
59.01381	40.4
60.01715	0.5
71.01396	1.0
71.53940	0.5
72.96585	0.4
72.99323	4.6
88.98809	0.5
93.03492	0.4
103.05514	0.4
119.05053	5.5
119.24049	0.3
134.03766	0.6
147.04555	100.0
148.04887	6.6
149.06146	0.4
151.73486	0.4
160.01654	1.3
165.05598	88.2
166.05954	5.1
175.02637	0.4
175.04048	1.3
192.57985	0.4
193.05101	0.7
194.17709	0.4
207.06644	63.3
207.92084	0.4
208.06969	4.8
211.13370	0.4
304.85397	0.4
443.15396	0.6
473.16623	1.0
479.93304	0.4
485.28976	0.4
545.48920	0.4
639.18805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17403	0.6
51.08615	0.6
55.05199	0.7
56.42438	0.9
56.45436	0.7
57.03456	3.8
58.00590	1.3
59.01382	25.7
60.99305	2.0
61.98833	31.6
67.01897	1.3
68.99825	1.0
69.03467	2.1
71.01389	24.1
71.71930	1.0
72.99322	6.2
73.02956	3.6
74.02441	0.8
74.17784	0.6
75.00880	16.5
82.69634	0.7
83.01398	3.3
83.05030	0.8
85.02965	20.2
87.00887	8.6
88.03046	0.7
88.98820	13.1
89.02451	8.9
93.03481	1.5
95.01401	6.5
95.05020	0.8
97.03005	0.9
99.00900	10.4
101.02468	9.0
103.00381	2.4
107.01368	0.8
107.05072	1.1
108.02144	1.0
109.02960	0.9
111.00902	6.4
111.04544	1.9
111.08169	1.8
113.02469	21.5
114.02798	0.8
115.00394	3.1
116.92871	6.6
117.01953	3.5
118.79464	0.8
119.03521	1.7
119.05035	1.6
121.03030	0.9
122.56249	0.7
125.02454	3.8
128.90160	1.9
129.02000	1.8
131.03590	1.6
133.02963	2.7
135.01979	0.7
135.04478	2.0
137.02484	1.5
138.02013	1.7
139.00433	1.4
142.06616	1.4
142.11343	0.7
143.03479	0.8
147.04546	1.1
149.02467	1.3
149.04547	0.9
150.03242	1.4
151.00397	2.3
154.91054	0.8
157.01524	1.0
160.01698	1.5
161.02458	8.8
161.04614	1.9
163.04033	1.6
165.05615	3.7
165.12874	20.9
166.13184	0.8
167.03534	0.8
168.00748	0.8
169.01410	0.9
173.00781	0.9
175.02492	3.5
175.04091	2.0
179.03508	1.9
179.05618	1.6
183.13918	100.0
184.14232	6.5
185.04591	1.4
189.05615	1.1
190.02780	0.9
193.05113	1.1
195.06651	1.2
204.06665	1.4
205.05263	1.8
205.07056	1.7
207.13962	4.0
209.11819	3.0
224.32779	0.7
227.12874	12.2
228.13170	1.0
243.89235	0.7
246.07788	0.8
249.06110	11.4
251.12910	5.7
267.07129	2.8
301.16495	2.5
415.19724	15.0
416.20029	2.0
441.83780	0.9
459.18704	6.0
477.19748	60.3
478.20099	7.8
517.09760	2.8
519.20886	4.9
549.22211	8.1
550.22839	1.1
559.14917	0.9
579.22961	28.8
579.30414	2.4
580.23346	6.3
603.23224	1.7
621.24316	1.3
639.25134	90.2
640.25543	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	639.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17403	0.6
51.08615	0.6
55.05199	0.7
56.42438	0.9
56.45436	0.7
57.03456	3.8
58.00590	1.3
59.01382	25.7
60.99305	2.0
61.98833	31.6
67.01897	1.3
68.99825	1.0
69.03467	2.1
71.01389	24.1
71.71930	1.0
72.99322	6.2
73.02956	3.6
74.02441	0.8
74.17784	0.6
75.00880	16.5
82.69634	0.7
83.01398	3.3
83.05030	0.8
85.02965	20.2
87.00887	8.6
88.03046	0.7
88.98820	13.1
89.02451	8.9
93.03481	1.5
95.01401	6.5
95.05020	0.8
97.03005	0.9
99.00900	10.4
101.02468	9.0
103.00381	2.4
107.01368	0.8
107.05072	1.1
108.02144	1.0
109.02960	0.9
111.00902	6.4
111.04544	1.9
111.08169	1.8
113.02469	21.5
114.02798	0.8
115.00394	3.1
116.92871	6.6
117.01953	3.5
118.79464	0.8
119.03521	1.7
119.05035	1.6
121.03030	0.9
122.56249	0.7
125.02454	3.8
128.90160	1.9
129.02000	1.8
131.03590	1.6
133.02963	2.7
135.01979	0.7
135.04478	2.0
137.02484	1.5
138.02013	1.7
139.00433	1.4
142.06616	1.4
142.11343	0.7
143.03479	0.8
147.04546	1.1
149.02467	1.3
149.04547	0.9
150.03242	1.4
151.00397	2.3
154.91054	0.8
157.01524	1.0
160.01698	1.5
161.02458	8.8
161.04614	1.9
163.04033	1.6
165.05615	3.7
165.12874	20.9
166.13184	0.8
167.03534	0.8
168.00748	0.8
169.01410	0.9
173.00781	0.9
175.02492	3.5
175.04091	2.0
179.03508	1.9
179.05618	1.6
183.13918	100.0
184.14232	6.5
185.04591	1.4
189.05615	1.1
190.02780	0.9
193.05113	1.1
195.06651	1.2
204.06665	1.4
205.05263	1.8
205.07056	1.7
207.13962	4.0
209.11819	3.0
224.32779	0.7
227.12874	12.2
228.13170	1.0
243.89235	0.7
246.07788	0.8
249.06110	11.4
251.12910	5.7
267.07129	2.8
301.16495	2.5
415.19724	15.0
416.20029	2.0
441.83780	0.9
459.18704	6.0
477.19748	60.3
478.20099	7.8
517.09760	2.8
519.20886	4.9
549.22211	8.1
550.22839	1.1
559.14917	0.9
579.22961	28.8
579.30414	2.4
580.23346	6.3
603.23224	1.7
621.24316	1.3
639.25134	90.2
640.25543	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	639.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03443	0.4
57.27956	0.2
59.01382	10.4
60.99308	15.1
61.98832	6.5
69.03436	0.2
71.01389	5.1
72.99314	0.7
73.02937	1.4
74.02513	0.3
83.01392	0.7
85.02966	2.4
87.00886	0.6
88.38356	0.2
88.98817	100.0
89.02446	1.9
89.99150	1.2
95.01398	0.6
99.00906	0.6
99.04532	0.3
101.02453	3.0
109.02956	0.2
111.00893	0.9
113.02465	2.0
116.92863	0.5
118.98125	0.3
119.03513	0.7
119.05010	0.4
125.02509	0.5
128.03633	0.2
129.01907	0.3
131.03580	0.4
133.02988	1.8
134.03731	0.3
135.04552	1.1
137.02434	0.3
143.03554	0.3
143.04616	0.3
144.73820	0.2
145.03027	0.4
147.04547	0.5
149.02484	0.4
153.01920	0.3
161.02472	8.0
161.04448	1.4
162.02818	0.6
165.04158	0.3
165.05608	0.8
167.03572	0.4
175.03967	0.3
179.03506	0.7
179.05682	0.4
180.04117	0.2
189.05583	0.2
190.02736	0.4
193.04936	0.3
204.06595	0.3
204.93544	0.2
205.05067	0.7
207.02974	0.3
306.07727	0.3
307.08078	0.4
323.49652	0.2
392.24820	0.2
423.80225	0.3
472.24863	0.2
477.23367	1.4
478.23630	0.4
544.27197	0.7
549.23413	6.8
550.23596	1.4
553.27618	0.3
559.15436	0.2
579.30243	0.6
584.66003	0.2
610.47748	0.3
639.28149	1.3
639.37378	0.3
640.18835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1371
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
55.01867	0.6
55.45202	0.5
57.03443	0.8
59.01383	20.4
60.99297	2.2
61.98833	25.7
63.02392	0.8
65.00324	1.7
71.01046	0.7
71.01388	9.9
71.71436	0.8
72.99319	1.6
73.02948	2.7
83.01394	2.8
85.02950	4.5
87.00889	1.4
88.98816	12.4
89.02464	4.9
93.03468	0.9
95.01386	1.4
97.02997	0.9
99.00917	1.1
101.02448	5.2
103.00365	0.6
107.01418	2.9
108.02185	2.2
109.02975	2.0
111.00909	2.4
113.02460	4.4
113.96152	0.5
116.92878	11.5
117.01940	0.8
118.98121	1.1
119.03514	1.6
119.05041	1.1
121.02980	3.3
123.04579	0.5
125.02457	2.1
128.03543	0.6
131.03497	0.7
133.02983	2.0
134.03741	1.7
135.00928	0.9
135.04510	2.5
137.02499	1.3
139.04028	0.7
143.03468	0.9
145.02982	1.2
147.04565	1.4
148.01672	1.1
149.02486	1.4
149.06142	1.1
150.03241	1.3
151.00395	12.6
151.04012	0.8
152.01108	0.6
153.01920	0.6
160.01714	1.6
161.02472	8.6
161.04555	1.6
162.02878	0.6
163.00435	3.2
164.01129	0.7
165.01932	0.7
165.05598	3.8
167.03490	0.9
169.01479	1.1
175.00285	0.5
175.02602	0.9
175.04054	2.3
175.07666	0.6
178.99866	6.0
179.03505	2.3
179.05675	0.9
185.06093	0.8
187.04001	1.2
187.07576	0.7
187.11223	0.7
188.04839	0.6
189.05476	0.7
190.99959	1.0
191.03560	1.2
192.00580	0.7
193.05038	1.2
195.06693	0.6
199.03931	1.2
199.94235	0.5
201.01979	0.7
201.05490	0.8
203.03564	0.8
205.05127	0.7
205.12292	0.7
211.04024	1.5
215.03525	0.9
221.04610	0.7
226.02747	1.6
227.03505	4.4
229.04984	0.9
229.14363	1.4
243.02989	11.6
244.03581	0.8
245.04587	1.1
254.02209	2.1
255.02972	30.2
256.03427	2.6
265.07101	0.6
271.02460	60.4
272.02917	7.1
273.03961	1.5
283.02512	1.1
299.02032	3.8
300.02768	100.0
301.03470	47.5
302.03860	3.3
314.04300	1.1
315.05219	3.2
323.07761	1.7
433.20767	0.7
463.08832	37.5
464.09067	3.9
477.10324	2.3
477.23294	0.7
478.10529	0.6
544.27289	1.4
549.23157	0.7
553.27051	0.8
579.30469	1.5
639.13696	70.0
639.36096	7.9
640.14069	15.9
640.24481	0.8
640.35303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67551	0.5
53.56555	0.4
53.97199	0.5
55.01893	0.6
58.02981	0.9
59.01382	46.9
60.01721	0.7
61.98840	1.4
64.42219	0.4
69.03490	0.9
70.02994	0.6
71.01393	7.2
71.71615	0.5
72.99310	4.8
73.02978	0.6
79.01912	0.6
83.01398	6.5
85.02972	1.9
87.00874	0.6
88.98821	1.2
89.02450	1.4
95.01392	6.0
97.02968	0.8
99.00912	0.8
101.02444	2.4
109.02998	0.9
111.00910	1.9
113.02462	4.2
116.92875	0.7
117.03469	0.7
119.03575	0.7
119.05051	9.9
120.05347	0.5
121.03003	0.7
125.02477	2.5
127.00426	1.5
128.43881	0.5
133.03015	0.5
134.03760	1.8
135.04547	1.2
137.02435	0.8
139.00410	3.4
145.02972	1.1
147.04550	100.0
148.04903	5.3
149.06017	0.6
151.00404	0.6
157.01482	1.1
157.95428	0.5
161.02451	2.3
161.04614	1.2
163.04027	0.6
164.07190	3.9
165.05595	85.3
166.05975	4.9
167.03525	0.6
169.01469	0.7
175.03944	1.0
177.01999	1.0
179.03482	0.6
181.01288	0.5
181.04999	0.5
184.99016	0.6
187.02505	0.6
187.04047	0.7
191.03502	0.6
193.05115	2.0
206.08255	5.5
207.06662	62.2
208.07004	3.3
217.01451	0.5
219.02992	1.2
221.04564	0.8
233.04601	0.5
234.50290	0.5
247.02434	1.6
251.05559	0.6
260.19382	0.5
267.94952	0.5
355.08325	2.4
367.08090	1.8
367.12112	1.4
385.10846	1.9
397.09286	0.9
457.11481	3.6
475.12384	1.0
487.12311	1.3
499.21902	8.2
500.22162	1.8
517.13477	1.8
529.22876	6.2
532.13434	0.5
552.28253	0.5
577.15790	1.0
637.17505	7.5
638.18195	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	638.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40455	0.2
59.01379	0.9
59.48858	0.2
60.08304	0.2
60.27031	0.2
61.98834	100.0
62.98538	0.2
71.01402	0.5
71.71468	0.3
73.02947	0.3
85.02984	0.3
86.88670	0.2
101.02491	0.3
113.02496	0.2
135.04712	0.3
139.94077	0.2
171.10373	0.2
184.69601	0.2
189.58170	0.2
207.10402	0.2
209.11827	1.7
211.13469	1.6
292.76248	0.2
403.24893	0.3
437.70279	0.2
620.32629	0.3
621.33160	0.3
638.32678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97897	0.4
57.59253	0.4
59.01379	45.0
61.98832	5.7
63.15660	0.5
69.42471	4.6
71.01392	3.2
72.99316	4.8
75.00877	0.5
83.01400	1.8
84.75859	0.3
85.02948	1.3
87.00895	0.9
87.28705	0.4
89.02459	0.9
95.01391	1.7
96.95987	0.7
99.00924	0.5
101.02451	1.3
106.58196	0.4
111.00911	0.9
113.02458	2.3
117.03580	0.5
119.05041	6.2
123.04587	0.5
125.02439	0.9
127.00372	0.8
129.01973	1.0
130.08769	2.5
131.07129	2.0
133.03020	0.6
134.03763	0.9
135.04562	0.7
137.02515	0.4
137.25710	0.4
139.00397	1.3
147.04541	100.0
148.04883	5.1
149.06059	1.1
161.02449	2.2
164.07225	0.5
165.05586	86.8
166.05922	5.3
167.03488	0.7
172.09853	2.5
173.08199	1.3
173.10056	0.5
174.07143	0.4
183.31645	0.4
193.05093	1.0
207.06638	60.4
208.06978	3.6
209.06657	1.4
210.10780	0.4
263.98972	0.4
312.28070	0.4
475.14130	0.7
499.21979	2.0
500.21994	0.5
529.22778	1.9
575.19995	0.7
637.17975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59079	0.3
51.65867	0.4
59.01383	44.0
60.01722	0.4
61.28719	0.4
61.98838	5.1
62.39849	0.3
69.03468	0.4
69.41662	0.9
69.42076	3.2
71.01395	2.9
72.01790	0.4
72.99313	4.4
73.02991	0.3
83.01391	1.5
85.02971	1.0
89.02443	0.6
95.01411	1.4
96.95979	0.5
98.21838	0.3
99.00887	0.4
101.02450	1.2
111.00885	0.7
113.02464	1.6
113.06079	0.5
119.05049	7.3
125.02435	1.0
127.00430	0.6
129.01974	0.4
130.08780	1.7
131.07182	1.4
134.03780	0.6
135.04575	0.5
139.00386	1.0
147.04547	100.0
147.39688	0.4
148.04872	4.1
148.13504	0.4
149.06108	1.0
151.03947	0.4
161.02464	1.5
161.04688	0.4
164.07184	0.6
165.05594	91.5
166.05945	4.7
167.42340	0.5
169.01512	0.4
172.09816	2.4
173.08304	0.5
175.02507	0.6
179.03554	0.4
193.05045	0.9
206.08252	0.4
207.06647	59.7
208.06976	3.3
209.06653	1.1
233.04636	0.5
233.08038	0.4
287.79480	0.4
302.56802	0.5
360.48813	0.4
457.11066	0.7
458.21518	0.4
475.13690	0.9
499.21808	2.1
518.95575	0.6
529.22607	1.6
575.20422	0.6
637.17896	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	637.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06041	0.4
57.03458	0.8
59.01380	47.0
60.01719	0.9
61.98837	2.3
69.03393	0.5
71.00657	1.4
71.01374	2.6
71.81071	0.5
72.99310	5.8
83.01390	1.0
85.02962	1.7
87.00925	1.4
89.02474	1.4
93.03528	0.5
96.95991	2.3
97.03026	0.7
99.00905	0.9
101.02464	1.4
103.05550	0.6
109.02966	0.8
111.00925	0.7
113.02481	1.5
119.03585	0.6
119.05066	6.8
120.05360	0.5
125.02446	0.7
129.01945	1.0
130.46954	0.5
133.02969	0.6
134.03757	2.8
135.04562	0.8
138.97562	0.5
147.04543	100.0
148.04890	5.0
149.06096	0.9
160.01666	0.6
161.02472	2.0
161.04631	0.9
165.05589	89.7
166.05934	4.9
173.06111	0.6
175.03981	0.7
179.03560	0.7
191.05591	0.6
193.05168	2.6
193.06570	0.5
207.06641	64.0
208.06944	4.4
209.06660	1.9
225.58859	0.5
248.76285	0.6
258.64920	0.5
385.11401	5.4
457.11508	1.3
499.20697	0.5
637.14648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
60.99308	14.6
61.98832	9.4
69.03451	0.2
70.48100	0.9
71.01388	3.2
72.99314	0.6
73.02944	0.7
75.00884	0.5
77.18092	0.2
83.01400	0.6
83.05031	0.3
85.02962	1.6
87.00910	0.5
87.09625	0.2
88.04057	0.2
88.98816	100.0
89.02450	2.6
89.99138	1.0
93.01002	0.2
93.03479	0.2
95.01373	0.6
97.02978	0.3
99.00900	0.4
101.02464	1.9
111.00879	0.5
113.02480	1.1
115.00401	0.2
116.92853	0.4
118.98097	0.3
119.03528	0.5
119.05024	0.4
121.02966	0.2
123.04542	0.2
125.02482	0.5
126.90440	0.2
129.01958	0.3
131.03539	0.3
132.02199	0.2
132.58934	0.2
133.03006	1.3
133.05074	1.2
134.03737	0.7
135.04538	2.9
137.02457	0.5
143.03534	0.3
145.02963	0.3
147.03128	0.2
149.02484	0.3
149.06084	0.6
150.03241	0.9
153.05629	0.2
160.01715	1.3
161.02467	4.8
161.04608	0.7
162.02788	0.4
163.04060	0.2
165.05527	1.1
167.03537	0.2
169.01469	0.2
175.02585	0.3
175.04031	1.9
177.05614	1.1
179.03517	4.6
179.05730	0.4
180.03998	0.3
183.13940	0.2
185.60167	0.2
187.07671	0.2
190.02711	0.3
193.05083	0.7
195.06679	0.6
203.03539	0.2
204.06735	0.4
205.05058	0.2
221.04597	1.8
227.07237	0.2
227.12917	0.2
251.05621	1.7
252.05974	0.2
255.03072	0.5
268.93610	0.2
271.02405	0.4
281.06674	2.6
282.06955	0.2
284.03168	0.3
285.03934	0.2
293.12943	0.2
300.02768	0.2
328.02252	0.6
329.02960	0.7
341.08795	5.6
342.09164	0.6
351.81546	0.2
441.17627	1.2
442.17831	0.3
451.18466	0.2
460.14633	0.2
475.21329	0.6
491.19443	0.6
503.19312	0.6
529.22284	0.3
547.21796	1.8
548.22095	0.5
577.28253	0.3
605.25049	0.2
637.15356	0.6
637.27948	1.4
638.26385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.6
60.01707	0.7
61.98831	6.7
65.05380	0.6
70.22192	0.6
70.93710	1.6
71.01393	3.1
72.99310	4.3
75.00874	1.2
83.01396	0.8
85.02981	3.0
87.00902	1.1
89.02447	1.4
91.05570	0.8
96.96009	0.6
99.00863	0.8
101.02475	1.3
108.02190	0.5
113.02472	3.9
115.00426	0.9
119.05048	6.7
127.84410	0.5
128.03444	0.7
132.97502	0.5
133.01450	1.0
139.00441	0.6
147.04549	100.0
148.04890	5.8
149.06062	1.0
151.20499	0.7
155.49501	0.6
161.02505	1.1
165.05597	90.4
166.05949	5.2
173.08313	0.7
193.04964	0.7
207.06648	63.6
208.07004	3.9
209.35669	0.6
210.46924	0.5
217.01367	0.9
223.35983	0.6
246.44887	0.6
249.06218	1.9
267.07227	5.5
268.07553	0.7
337.07147	0.8
385.11411	8.9
386.11816	1.2
439.93585	0.6
457.11423	1.0
538.06201	0.7
545.47711	0.6
561.90863	0.6
596.52618	0.6
637.17950	0.8
638.98969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22363	0.6
59.01384	2.1
61.63394	0.5
61.98837	4.5
68.88580	0.6
70.38784	0.5
71.01389	0.8
71.72189	1.2
78.95896	0.6
79.93972	0.5
82.73771	0.5
87.59942	0.6
91.43418	0.6
102.75327	0.6
105.01966	0.7
116.92875	6.8
117.02073	0.7
117.03480	14.6
117.92907	3.7
119.05051	10.9
121.02966	4.4
123.04514	0.8
133.05074	0.6
145.02974	41.1
146.03313	2.3
162.03259	1.0
163.04031	5.0
246.47223	0.7
368.51736	0.7
485.32852	3.5
487.34146	2.1
501.32318	1.6
513.32104	0.9
531.20270	1.2
541.62030	0.7
591.40869	1.2
617.35248	1.9
635.39703	100.0
636.20868	1.2
636.40039	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	635.4181
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
50.55535	0.2
53.56425	0.3
54.27092	0.2
56.39900	0.2
58.00599	0.5
59.01379	5.9
61.98831	1.5
67.16553	0.3
67.44514	0.2
71.01388	8.3
73.02918	0.4
78.95911	0.3
83.01386	0.5
85.02950	0.5
87.00874	0.5
89.02453	10.0
101.02454	6.4
113.02466	2.6
119.03519	3.2
131.03514	0.9
133.34967	0.2
143.03513	1.2
149.04561	0.6
152.99617	0.5
161.04562	2.1
179.05618	7.8
180.05981	0.3
187.10017	0.3
410.44363	0.3
455.35291	100.0
456.35632	20.6
456.42279	0.6
457.36102	0.3
483.56274	0.3
635.46375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4178
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
58.00578	0.7
59.01379	16.6
61.98831	7.3
62.76002	0.5
71.01385	23.5
72.99319	1.3
73.02967	1.1
76.90127	0.5
78.95923	0.8
83.01391	1.8
85.02949	1.1
87.00865	1.0
89.02454	32.9
95.01380	0.6
101.02455	13.9
104.92809	0.7
105.09276	0.6
113.02473	6.4
119.03516	5.1
122.56700	0.6
125.02527	0.6
131.03490	2.7
143.03534	3.3
145.06310	0.5
146.90112	0.5
149.04558	1.9
161.04585	5.0
179.05629	20.9
180.05951	0.9
455.35284	100.0
456.35623	18.2
619.95154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34265	0.3
59.01373	1.0
61.98829	2.2
62.41813	0.2
70.22148	1.5
72.99331	0.3
77.73853	0.3
92.80643	0.3
93.81755	0.3
101.02470	0.4
117.03491	6.2
119.05046	11.3
119.05902	0.6
120.05368	0.4
121.02976	52.8
122.03321	2.0
134.03767	0.4
135.04567	3.1
145.02982	18.5
146.03325	1.2
163.04060	6.0
164.04379	0.4
181.05104	4.6
182.05394	0.3
206.30481	0.3
243.21446	0.3
439.32172	0.5
453.33817	2.8
454.34064	0.5
455.31555	1.6
471.34772	7.6
472.34976	2.8
473.35556	3.6
513.35803	1.3
573.39471	0.4
617.28119	0.6
617.38605	22.6
618.38904	6.1
635.39655	100.0
636.39984	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98830	3.6
68.53431	0.4
71.01398	2.4
71.09023	1.0
89.02454	2.5
89.86099	0.5
101.02471	1.1
117.03488	10.3
119.05045	28.1
120.05366	1.5
121.02975	61.3
122.03308	2.1
123.04538	0.6
133.02945	0.8
135.04576	2.8
145.02977	43.0
146.03331	2.0
147.04514	0.6
162.03244	0.7
163.04031	4.4
165.05609	1.0
179.05626	1.6
181.05049	2.5
196.97592	0.4
321.16281	0.6
346.90103	0.5
453.34296	4.5
454.34418	0.9
455.31644	11.1
456.31982	2.1
465.63571	0.5
469.33435	1.1
471.34854	4.1
472.35068	0.7
497.32690	19.1
498.32919	3.1
513.35992	2.9
591.40533	0.7
617.38629	74.6
618.39001	17.1
635.39624	100.0
636.40033	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87064	0.4
57.03446	1.6
59.01384	15.3
61.98833	72.8
63.02375	0.5
63.52978	0.4
65.00325	0.7
69.03453	0.5
70.29041	1.7
71.01389	11.3
72.99319	1.9
73.02952	2.8
74.17621	0.5
75.00882	0.9
83.01404	3.0
84.95127	0.7
85.02953	6.9
87.00899	2.0
88.98831	1.4
89.02459	4.1
91.01928	0.7
93.03498	1.7
95.01397	2.1
97.02970	1.4
99.00902	2.0
99.04572	0.8
101.02464	7.9
102.14765	0.4
105.13216	0.5
107.01388	3.2
109.02981	1.1
111.00869	3.2
113.02452	4.6
116.92855	0.7
117.03469	1.2
119.03534	1.7
119.05007	0.8
121.02983	0.8
121.81882	0.5
123.04620	0.6
125.02440	2.4
127.04021	0.6
129.01953	2.1
131.03578	0.9
132.02231	1.2
133.02991	5.1
134.03775	0.6
135.00891	1.6
135.04517	2.0
137.02454	1.4
139.00369	1.1
142.38678	0.4
143.03519	0.8
143.04956	0.7
145.02969	1.1
147.04501	1.8
149.02380	0.6
150.03236	0.6
151.00381	2.7
153.01990	0.6
155.05072	0.5
157.06575	1.2
159.03166	0.5
159.04553	1.4
159.58727	0.6
160.01718	1.5
161.02470	16.4
161.04587	2.2
162.02792	0.5
163.00354	2.9
163.07719	0.7
165.01994	0.7
165.05583	2.3
166.02809	0.5
167.03574	0.5
167.05014	0.7
169.01468	0.9
169.06532	0.8
171.04443	0.9
173.06049	0.6
175.04039	1.2
177.05624	0.8
179.03510	1.7
179.05576	1.6
183.04532	1.2
185.06053	1.9
187.04042	3.1
187.07607	0.7
189.05598	1.3
191.05685	0.7
193.05212	0.8
193.07191	5.8
197.06104	1.1
199.03983	1.3
201.05540	0.9
207.10274	0.8
209.06654	1.4
211.04028	3.2
213.05528	1.7
221.04663	0.5
227.03508	38.7
228.03925	3.1
229.05072	11.0
230.05299	1.1
239.03534	1.8
240.04219	0.7
241.05060	1.5
255.02980	69.8
256.03476	9.1
257.04489	6.6
261.06204	4.9
267.02969	1.5
268.04163	0.5
269.04578	1.8
278.23093	0.5
283.02466	4.7
284.03256	78.1
285.04022	100.0
286.04391	8.1
327.05304	1.1
373.22141	1.5
399.39468	0.5
413.02530	0.5
427.12460	7.3
428.12503	0.8
441.21384	4.2
497.20432	0.7
505.26672	0.7
527.21722	0.7
544.77124	0.7
547.27399	2.1
573.20081	4.7
575.13928	4.1
605.22168	0.9
617.23010	1.0
635.16284	88.0
635.25836	7.7
635.81573	0.8
636.16443	17.1
636.25897	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	633.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26190	0.2
59.01372	0.7
61.98831	2.7
66.55673	0.2
67.02163	0.3
71.01363	0.4
71.04030	0.6
77.76489	0.2
83.83626	0.3
89.02487	0.3
93.03474	0.3
94.55011	0.2
116.00742	0.2
117.03487	10.0
118.03796	0.4
119.05047	21.2
120.05374	0.6
121.03021	1.6
123.04510	0.4
133.02946	0.3
145.02979	30.2
146.03317	1.7
160.84175	0.5
162.03223	0.3
162.83929	1.1
163.04030	22.1
164.04344	1.1
190.85219	0.2
196.97008	0.2
220.14648	0.3
223.59439	0.3
228.95381	0.2
439.32486	0.3
441.33707	0.9
442.34415	0.3
469.33350	1.5
471.31238	14.4
472.31561	2.4
474.81720	0.3
485.33023	4.5
486.32861	0.9
573.98859	0.3
589.39142	2.4
590.39648	0.7
633.38123	100.0
634.15790	0.7
634.38452	26.9
647.31854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.382
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
57.91846	0.2
59.01399	0.3
61.98837	1.4
71.01388	0.4
73.02952	0.8
78.95919	0.2
83.43134	0.2
99.00864	0.3
105.03452	0.3
116.92881	1.9
117.01962	1.6
117.03484	6.3
119.05046	3.9
121.02990	1.0
132.02190	1.1
133.02979	17.9
134.03798	1.9
135.04549	5.4
137.02473	1.5
139.04045	0.4
145.02977	11.5
146.03314	0.6
157.52258	0.3
161.02467	51.3
162.02803	2.8
163.04036	1.9
163.11340	0.3
178.02762	0.7
179.03532	1.4
203.32428	0.3
221.08209	0.8
235.09659	0.3
359.03046	0.3
361.19830	0.3
453.29605	0.5
469.33328	1.6
470.33405	0.6
471.34286	1.1
497.32834	0.5
515.33850	2.2
516.34253	0.4
573.71246	0.3
589.38611	0.5
633.38037	100.0
634.38373	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3813
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.66143	0.2
57.01623	0.2
61.98824	0.8
69.41245	0.7
69.41669	1.7
98.20638	0.4
117.03487	14.6
118.03848	0.3
119.05044	11.3
119.72984	0.2
120.05377	0.4
121.02999	2.0
123.04543	0.4
133.02956	0.5
145.02979	45.9
146.03337	1.8
162.03271	0.7
163.04033	7.4
164.04364	0.3
194.40837	0.2
196.62775	0.2
469.32999	1.4
470.34064	0.4
471.34723	0.8
474.51297	0.2
485.32703	1.8
486.33203	0.3
589.39063	3.4
590.39124	1.1
603.36615	0.4
628.64075	0.2
633.38104	100.0
634.38458	22.8
634.49750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3814
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
54.77834	0.2
58.12595	0.2
59.01375	0.4
61.98833	1.8
69.68974	1.6
71.01411	0.3
89.02447	0.2
97.49899	0.2
101.95524	0.2
114.42641	0.2
117.03486	10.2
118.03794	0.4
119.05048	23.4
120.05379	0.6
121.02996	1.2
123.04558	0.4
125.09821	0.2
125.78609	0.2
133.02982	0.5
145.02977	31.7
146.03279	1.6
162.03270	0.5
163.04033	22.4
164.04430	0.7
179.55414	0.2
195.63219	0.2
226.95711	0.2
261.85397	0.2
269.53833	0.2
469.33469	1.7
471.31058	0.4
475.05301	0.2
483.30997	0.2
485.32672	2.1
517.17212	0.2
589.39038	2.4
590.39532	0.7
633.38104	100.0
634.38428	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	633.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
59.50582	0.4
60.00019	0.3
61.98838	6.3
64.14917	0.4
71.72226	0.6
98.26874	0.4
117.03487	10.2
118.35866	0.4
119.05045	10.6
121.03012	2.1
133.02917	0.5
139.07678	0.9
145.02979	36.4
145.73257	0.5
146.03247	1.7
147.04539	0.6
161.82780	0.4
162.03258	0.5
163.04024	10.0
164.04320	0.5
404.83704	0.4
439.32275	1.3
469.33160	1.8
470.33447	0.6
471.34915	3.0
472.34790	0.5
483.31116	5.9
484.31375	1.7
485.31607	2.2
515.34137	0.5
571.37769	1.2
589.38574	1.7
603.36938	4.3
604.37366	1.4
615.37079	2.3
633.38080	100.0
634.38416	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	633.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19741	0.2
56.85640	0.2
59.01369	0.8
61.98829	1.4
66.60989	0.2
71.01378	1.3
83.01379	0.3
89.02475	1.0
101.02447	1.2
104.92774	0.3
113.02411	0.3
116.92834	0.4
119.03528	0.6
133.02980	0.3
135.04541	0.4
143.03601	0.2
149.04498	0.2
156.97865	0.2
161.02490	1.5
179.05626	0.8
221.08188	0.7
222.08795	0.2
229.49704	0.2
235.09938	0.2
277.21759	0.2
295.20587	0.2
310.61249	0.2
339.94025	0.2
344.11987	0.2
363.27072	0.3
391.30072	0.7
407.29602	2.5
408.30072	0.4
409.31122	12.8
410.31387	2.9
453.30099	100.0
454.30420	18.2
455.31000	0.2
471.34778	0.2
633.21332	0.7
633.36060	1.5
633.47186	1.6
634.37726	0.4
634.46552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66727	0.2
61.98825	1.1
66.63034	0.2
71.29931	0.6
76.62372	0.3
86.46017	0.3
101.02467	0.7
113.02493	0.5
117.03481	15.9
118.03813	0.5
119.05046	14.9
120.05335	0.3
121.02962	1.7
123.04524	0.5
133.02995	0.4
145.02974	51.1
146.03294	2.7
161.04553	0.5
162.03236	0.7
162.83922	0.3
163.04034	7.1
221.30255	0.2
239.96762	0.2
273.22760	0.3
286.73083	0.2
349.58124	0.3
411.68878	0.3
439.32043	0.8
453.33682	0.3
469.33356	1.6
471.34805	21.6
472.35132	4.2
492.98395	0.3
513.32422	0.6
589.38867	1.8
590.39630	0.3
615.37115	0.3
633.38098	100.0
634.38416	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01379	60.9
60.01719	0.7
61.98830	9.5
71.01380	2.1
71.05008	2.3
71.24522	0.4
71.71615	0.8
72.99311	0.6
73.02937	0.4
74.88574	0.4
80.40190	0.4
81.73541	0.4
83.05048	0.3
83.26389	0.3
84.01907	0.3
85.02962	1.0
87.04520	0.9
88.09975	0.3
89.02461	0.7
99.04533	9.8
99.08165	3.5
101.02456	0.9
101.07523	0.4
103.00392	7.2
111.00887	0.4
113.02431	0.5
115.04032	5.2
115.07666	1.4
117.05598	5.0
117.60197	0.3
125.02500	0.7
125.06062	0.6
125.97871	0.4
133.02945	0.8
134.03763	0.5
142.06584	0.8
143.07147	4.3
147.04530	0.5
147.06621	0.9
147.80885	0.4
150.03285	0.5
151.04021	0.8
153.00809	0.4
161.02466	2.6
161.08212	100.0
162.08539	4.1
162.90692	0.4
163.04034	0.5
165.01961	0.7
167.03540	0.4
179.03465	0.7
180.04181	0.6
181.04742	0.5
193.05057	1.1
195.06641	0.9
196.06917	0.4
203.09268	21.4
204.06609	0.5
204.09587	0.9
225.07761	0.6
244.45445	0.4
247.08179	1.5
361.12912	0.6
363.13727	0.5
385.11368	1.2
409.15079	0.6
409.28262	0.4
411.15579	0.9
633.19714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.00060	0.2
61.98833	3.8
70.28045	1.3
74.55907	0.3
78.95920	0.3
96.96021	0.5
101.02472	0.5
107.75475	0.3
117.03484	14.8
118.03771	0.3
119.05044	28.2
120.05417	1.0
121.02973	1.9
123.04530	0.5
133.02928	0.4
145.02979	43.3
146.03329	2.5
160.84274	0.3
162.03278	0.6
162.83983	0.4
163.04031	25.3
164.04337	1.3
182.36012	0.3
267.62524	0.3
439.32120	1.1
467.31802	2.1
469.33414	13.1
470.33597	2.1
483.31082	4.5
484.31766	0.7
485.33008	0.4
587.37463	6.9
588.37830	1.6
631.36542	100.0
632.36847	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3863
Annotation	Rubuside E
Peak:m/z	Relative Intensity
56.22274	0.2
56.76057	0.2
59.01382	0.4
61.98834	0.8
70.58189	0.3
70.58575	0.3
70.97691	0.2
71.01385	0.9
73.02952	0.4
83.37354	0.2
85.02963	0.5
89.02457	0.3
89.11287	0.2
101.02446	2.7
113.02465	1.1
131.03555	0.4
145.02995	0.3
161.04546	1.4
162.83934	0.4
272.04678	0.2
290.16870	0.3
414.09573	0.2
440.48749	0.2
467.64136	0.2
469.33224	100.0
470.33582	18.7
470.43539	0.3
537.27850	0.2
631.44208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
61.98837	1.6
65.37801	0.3
69.54340	0.3
69.59626	2.3
71.05001	0.3
76.95674	0.2
82.53748	0.3
86.16779	0.3
92.49445	0.3
93.03450	0.5
115.57166	0.3
116.92882	0.4
117.03486	13.4
119.05047	28.6
120.05399	1.3
121.02978	2.4
123.04562	0.4
133.02928	0.3
145.02979	41.7
146.03319	2.1
160.84233	0.5
162.03278	0.5
163.04036	22.8
164.04379	1.3
243.29857	0.3
273.55051	0.3
285.71954	0.3
467.31622	1.8
471.34833	2.4
472.35019	0.5
485.32703	0.5
587.37567	5.5
588.37799	1.2
631.36536	100.0
632.36896	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	631.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.3
59.01381	25.1
60.99312	1.2
61.98519	2.1
61.98833	42.3
63.75023	1.1
71.01386	13.5
71.71283	1.6
72.99297	2.8
73.02933	3.1
74.82045	1.0
83.01386	1.4
85.02962	5.6
87.00877	2.7
87.36592	1.2
88.98801	2.6
89.02464	8.4
95.01407	1.7
95.05093	1.3
97.02979	1.3
100.26623	1.1
101.02471	7.8
104.07890	1.0
107.03770	2.6
109.42882	1.1
110.06129	5.6
111.00880	3.1
113.02441	5.6
119.03481	4.7
119.05027	1.2
120.01436	1.2
120.08211	22.2
122.06141	46.8
122.07041	2.3
123.06465	2.2
125.02458	3.5
129.06039	1.3
134.06102	1.8
135.08180	5.3
137.04868	1.2
144.04561	2.6
145.02917	1.8
160.04060	1.5
161.02434	2.1
161.04631	3.7
162.05640	1.7
164.07225	1.7
165.05426	1.6
167.03557	1.4
171.10292	6.5
174.05606	4.1
179.05598	1.8
185.11830	3.3
186.05594	1.4
188.03496	1.5
197.11850	2.5
201.11427	1.7
203.05858	2.8
204.06638	3.1
223.08827	1.7
225.13834	2.4
236.09506	3.2
237.10370	5.6
238.10866	2.0
239.11908	1.5
241.13412	1.7
249.10240	1.4
249.13835	3.3
250.11032	3.8
251.09277	1.2
251.11896	25.7
252.12355	3.4
253.09624	3.0
254.10321	1.5
263.08188	3.6
263.11816	3.1
264.08862	5.3
265.10040	5.4
265.13287	7.5
266.10596	2.1
276.08954	2.3
277.09744	14.5
278.10596	22.5
279.11099	4.5
280.11911	1.8
282.10245	2.1
283.10742	2.0
284.11414	1.8
285.12302	1.7
287.14023	1.1
291.11411	12.8
292.12143	16.8
293.10159	1.2
293.12921	35.6
294.13321	4.7
295.10696	1.6
296.11472	1.4
311.10413	1.6
312.11060	1.4
319.10977	3.7
324.11179	2.9
325.12195	1.9
325.15646	3.7
335.10287	4.4
336.10965	5.7
337.11951	10.2
338.12173	2.1
343.13025	1.6
346.15732	1.3
358.15582	1.6
360.17099	3.5
362.14761	1.3
362.18680	2.0
369.14505	3.6
370.14709	1.5
372.17358	8.6
373.17889	2.1
374.18619	3.9
387.15793	1.2
390.18127	4.7
400.16653	3.3
402.18350	1.5
403.18811	1.7
405.16681	1.5
406.17578	2.2
414.18192	8.4
415.18619	3.4
418.17755	7.6
432.19269	7.3
433.20053	2.3
436.18829	8.2
458.17056	3.3
459.17850	3.7
469.16049	2.0
476.18359	10.8
477.19077	8.4
477.29865	2.4
478.19714	2.6
490.19836	3.1
508.20810	26.3
509.21603	12.5
513.24792	2.4
525.25085	1.8
537.24927	6.9
546.23761	1.5
555.26202	9.9
556.26025	2.5
558.24542	1.7
569.23712	2.3
581.24042	7.7
588.24603	4.9
599.25146	40.2
600.25427	8.5
601.26703	2.1
613.17169	1.6
613.26770	8.0
613.39630	1.5
631.27893	100.0
631.38208	3.6
632.28210	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	631.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11525	0.7
59.01480	2.9
61.98935	3.2
71.01481	0.9
71.48581	1.8
73.46735	0.7
74.44165	0.7
83.85043	0.7
85.97925	0.7
94.06741	1.0
95.05141	1.6
95.77557	0.6
97.08482	0.7
105.06004	1.9
107.01487	0.7
107.03937	3.9
110.06300	8.4
116.05135	0.9
120.07421	2.8
120.08376	45.4
121.05389	3.7
121.08723	1.3
122.04937	2.8
122.05330	5.1
122.06310	75.4
123.06647	2.3
123.24569	0.6
130.06804	0.9
134.06137	3.7
136.00493	0.8
136.07796	1.4
137.04980	1.2
138.05736	0.7
142.06827	0.8
144.04584	6.7
146.06265	0.7
152.07295	1.2
158.06273	1.4
160.04274	2.6
161.04970	1.3
162.05769	1.6
164.07387	3.0
172.04245	0.8
172.07794	1.4
173.05051	1.8
174.05605	7.2
174.09491	0.7
175.06392	0.7
186.05708	1.3
187.06638	1.0
188.03757	2.3
200.07368	1.3
203.05894	7.6
204.06654	5.5
215.12067	1.5
222.08157	1.3
223.08960	2.6
223.12498	0.9
225.14174	2.5
236.09543	5.6
237.10367	8.1
238.11249	2.3
239.12080	2.7
240.09398	0.8
241.13686	3.1
243.15126	1.7
248.09738	1.5
249.10242	3.3
249.14015	4.0
250.07736	2.5
250.11075	3.6
251.09198	1.4
251.11877	34.1
252.12384	4.1
253.10071	2.0
253.13525	1.1
262.07724	0.8
262.11209	1.7
263.08365	6.7
263.11755	6.9
264.09225	8.6
264.12827	2.2
265.09921	4.0
265.13425	8.2
266.10757	2.3
266.14319	0.9
267.07825	1.1
267.11493	1.7
268.08731	2.7
269.09433	0.9
271.10861	1.2
275.08612	0.9
275.12064	1.4
276.09027	6.9
277.09818	33.9
278.10559	13.2
279.11374	6.7
280.12183	1.7
281.09570	2.8
281.12863	0.8
282.10254	2.6
283.10886	4.1
284.11795	1.1
285.12601	1.1
287.13892	4.1
290.10733	1.1
291.11411	40.6
292.12128	45.4
293.09705	1.7
293.12903	36.7
294.13455	6.2
295.11188	3.2
295.14496	1.6
296.11801	2.2
297.12439	1.2
301.12085	1.2
306.10263	1.2
311.10510	1.0
312.11194	1.5
313.12106	2.3
319.11032	2.5
323.10349	1.0
324.11237	8.3
324.14691	0.8
325.12051	4.0
325.15445	1.2
326.12927	1.2
330.12723	0.9
335.10370	13.4
336.11093	16.4
337.11890	10.5
338.12457	1.6
342.12506	0.9
343.13257	2.8
344.14203	1.9
345.14929	0.9
346.15631	1.7
346.19473	1.5
358.15753	2.4
359.16623	1.1
359.82440	0.8
360.17123	4.9
361.17740	1.7
362.18924	1.6
370.15552	0.9
370.19638	1.4
372.17245	12.8
373.17740	4.8
374.15018	0.8
374.18823	4.3
386.15186	2.4
386.19293	1.2
387.15747	1.4
387.20090	1.0
388.16537	1.6
390.18222	6.1
391.19086	1.1
398.15228	1.0
399.16257	1.2
400.16711	4.8
402.18268	4.7
403.19125	1.5
404.16031	1.5
405.16901	1.8
406.17859	2.8
414.18301	16.1
415.18948	6.5
418.17761	9.8
419.18460	1.9
429.17184	1.0
432.19363	12.3
433.19952	2.8
436.18756	4.6
446.16739	1.3
447.18039	2.2
458.17230	6.1
459.17902	7.2
460.18338	1.0
464.21960	0.9
476.18301	30.0
477.19040	17.1
478.19827	6.0
483.24454	1.1
490.19879	13.0
491.20398	1.9
493.26254	0.9
495.24011	2.3
508.20871	88.0
509.21231	18.2
509.28806	1.1
513.25159	1.9
525.25232	3.9
525.55420	0.8
526.24939	1.2
528.22375	0.9
537.25055	16.8
538.25397	3.9
541.21143	0.9
546.23352	1.0
555.26227	20.8
556.26520	5.3
558.25293	1.0
566.33289	2.5
569.24146	5.2
581.24170	19.7
582.24670	2.6
588.24213	4.0
599.25153	100.0
600.25446	23.7
601.26538	4.8
613.26776	15.0
614.27545	3.9
631.27856	72.3
632.28204	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	631.279
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
56.92349	0.6
59.01380	8.4
61.98563	0.6
61.98832	7.0
62.75198	0.5
69.87061	4.0
71.01362	2.8
72.99310	0.7
80.05077	0.7
81.03456	1.1
83.01370	1.1
85.02930	1.3
88.98816	0.9
89.02438	1.4
94.06617	1.5
95.01389	0.6
95.05012	1.2
99.00848	0.8
101.02432	1.8
105.05842	1.8
107.03787	4.8
108.04575	0.8
110.06144	7.8
111.00876	0.9
111.98148	0.6
113.02477	1.5
120.04544	1.1
120.08216	41.0
121.05363	3.0
121.08514	1.7
122.06143	69.8
123.06423	2.3
125.02451	0.8
129.01924	0.7
134.06154	3.8
136.07657	1.3
137.04793	0.7
138.05612	0.9
144.04549	5.9
146.06100	1.2
152.07166	1.2
160.04085	1.6
161.02446	1.0
161.04654	1.2
162.05589	1.9
164.07152	2.6
172.04071	1.1
172.07663	1.2
173.04755	1.9
174.05618	7.0
188.03519	2.4
188.07141	0.7
190.05142	0.6
199.08749	0.9
200.07126	1.6
203.05885	6.4
203.11906	1.1
204.06693	2.9
209.10866	0.9
213.10257	0.7
215.11813	1.1
222.07870	1.2
223.08768	2.8
223.12350	1.3
224.09465	0.6
225.10370	0.7
225.13966	2.5
227.11974	0.9
236.09587	5.3
237.10349	5.7
238.11063	1.2
239.08247	0.9
239.11925	3.2
241.13466	2.2
243.14941	0.8
248.09660	1.1
249.10333	2.5
249.13994	3.0
250.07428	1.8
250.11046	3.2
251.08124	1.3
251.11890	28.9
252.12395	4.0
253.09766	2.0
253.13449	0.9
262.07437	1.0
263.08231	5.5
263.11810	3.1
264.08972	5.9
264.12506	1.6
265.06815	0.6
265.09848	3.6
265.13382	8.0
266.10538	2.3
267.07672	0.9
267.11255	1.8
268.08487	2.0
269.09171	1.8
270.77005	0.8
275.12054	1.0
276.08905	3.9
277.09830	20.4
278.10580	10.6
279.11252	5.1
280.08725	0.8
280.11954	1.2
281.09290	3.0
281.12537	0.9
282.10025	2.6
283.10815	4.5
284.11548	1.0
285.12396	2.0
287.14023	2.7
291.11401	19.4
292.12161	28.8
293.12915	30.7
294.10257	1.1
294.13416	4.1
295.10834	1.7
295.14374	1.0
296.08319	0.7
296.11578	1.5
301.12006	1.3
306.10034	1.0
309.12326	1.4
310.09604	1.1
311.10239	2.1
312.10934	1.2
313.11902	2.6
319.10782	1.8
320.10703	0.7
324.11191	5.1
325.11829	3.2
325.15530	2.0
326.12469	1.6
327.13452	0.7
330.12265	1.0
335.10410	7.4
336.11160	9.6
337.11905	10.6
338.12494	1.5
343.12970	3.2
344.13895	2.3
345.14914	0.7
346.15503	1.0
358.15521	1.8
360.17194	5.5
361.17825	1.2
362.18875	1.7
370.19312	1.4
372.12854	1.0
372.17163	10.5
373.18036	3.0
374.15518	0.7
374.18918	4.7
384.13184	1.4
385.14008	0.8
386.14914	3.5
388.16327	1.2
390.18301	5.2
391.18695	0.8
400.16455	3.6
402.18246	3.9
403.18884	2.1
404.16116	0.9
405.16806	1.1
406.17538	1.9
414.18304	11.3
415.18918	5.5
418.17728	7.9
419.18158	1.8
432.19464	9.0
433.19772	2.2
434.17023	1.0
436.18750	3.9
441.16791	1.4
447.17770	1.5
458.17453	3.8
459.17999	5.9
460.18735	1.1
469.16156	1.4
471.96753	0.7
476.18301	19.6
476.25089	1.0
477.19043	14.1
477.30075	0.8
478.19479	2.9
483.23956	0.7
490.19891	5.2
495.24048	1.8
496.20770	0.9
506.87830	0.7
508.20874	42.4
509.21338	11.5
510.22168	0.7
513.24988	2.6
525.24866	1.4
537.25031	13.3
538.25354	2.2
541.20386	1.4
555.26245	22.4
556.26489	4.3
569.24347	2.9
570.24707	0.7
581.24017	11.6
582.24121	2.3
595.33014	1.2
599.25146	100.0
600.25452	19.5
601.26740	2.2
613.26904	7.3
614.26880	1.3
631.27887	77.3
632.28204	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	630.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17039	0.3
57.03452	0.7
59.01381	4.3
61.98833	100.0
70.12323	0.3
71.01380	2.4
71.72055	0.3
72.99339	0.6
83.01424	0.6
85.02959	1.1
87.00910	0.5
88.98846	0.4
89.02458	1.5
90.60971	0.3
93.03449	0.5
99.00909	0.6
101.02452	1.7
109.03002	0.4
111.00918	0.3
113.02485	0.8
117.03484	0.9
119.03512	0.3
119.05042	0.3
121.02870	0.3
122.03730	0.3
123.04530	0.7
125.02445	0.6
132.02199	0.8
133.02977	19.1
134.03741	0.9
135.04550	9.6
137.02466	1.0
145.02995	0.6
149.06102	0.8
150.03259	0.9
151.00407	0.4
161.02466	81.3
162.02795	3.9
163.04010	0.6
165.01930	0.4
165.05569	1.0
166.02487	0.3
177.05605	1.2
179.03497	7.6
180.03986	0.3
181.05132	0.6
190.10304	0.3
193.04967	0.3
195.06630	0.9
203.12794	0.4
204.06647	0.4
208.10345	0.3
221.04552	2.1
225.07581	0.6
235.53519	0.3
245.14134	0.4
246.07751	0.5
251.05638	0.7
281.06787	2.0
287.05350	0.3
289.05496	0.3
567.24518	98.3
568.24817	16.9
630.22424	0.4
631.22156	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	631.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.5
59.01242	4.0
59.01576	2.2
61.98690	7.6
61.99059	3.5
66.03371	0.6
67.01771	0.8
69.61642	4.6
69.71745	0.5
71.01237	3.0
71.01653	0.8
71.90562	0.5
72.00766	1.4
72.99198	0.6
73.02817	1.1
73.03166	0.6
74.02319	2.6
74.02777	1.0
78.91757	1.1
80.04952	0.5
82.06541	0.5
83.01247	1.3
83.01673	0.5
84.04413	1.1
84.04849	0.6
85.02792	2.1
88.98720	0.6
89.02284	1.8
89.02807	0.9
93.03316	0.9
93.03857	0.4
94.83675	0.5
95.01259	0.7
95.04887	0.6
97.00301	1.1
98.01110	0.7
98.20773	0.5
99.00755	0.6
99.01838	0.7
101.02249	2.2
105.04479	0.6
106.04008	0.6
107.04883	1.2
108.04373	0.5
109.02840	0.5
109.03961	0.9
110.02289	40.7
110.03516	1.5
110.05896	0.6
111.00687	9.6
111.01535	1.5
111.02673	1.2
111.05506	1.0
112.03857	6.6
112.07534	1.2
112.98701	0.6
113.02280	1.6
119.03396	0.7
119.04842	2.9
120.07985	1.8
121.02803	1.0
121.03828	0.6
121.06376	0.5
122.05910	4.0
123.05433	0.7
124.03841	3.0
125.02275	1.2
128.03368	1.3
129.01820	0.6
129.10138	10.3
129.11168	1.0
131.03450	0.6
132.05666	1.1
133.02779	1.3
133.05035	0.5
133.06375	3.7
134.03609	1.2
134.05927	1.4
135.04297	2.5
135.05452	1.1
136.03865	0.5
139.08565	2.5
140.06976	1.4
142.06502	0.6
143.04807	0.6
143.11765	0.8
144.04385	0.7
145.06367	5.9
146.05959	1.1
148.07455	6.8
149.03343	13.0
149.04626	1.3
149.05916	1.6
149.94272	0.6
150.01865	0.9
150.02971	0.8
152.06975	0.7
153.06461	0.7
154.99640	2.0
155.08034	20.2
156.08481	0.7
158.05916	0.6
159.02921	0.5
159.04350	0.6
160.01469	0.7
160.07658	4.8
161.02203	2.3
161.03419	1.0
161.04550	1.1
162.05507	1.1
162.09007	6.3
163.03786	1.5
165.01743	0.6
165.05345	1.4
167.03360	0.7
169.09633	1.1
170.05905	1.4
171.04303	0.9
174.05426	1.0
175.03879	1.0
175.06148	1.1
176.06970	0.6
179.03351	0.9
179.05450	0.5
179.08034	0.8
180.04073	0.6
180.06410	4.8
183.98724	0.6
186.05611	2.4
187.10663	0.9
188.07191	7.9
189.05305	2.0
192.06584	0.7
192.08763	1.5
193.04904	0.6
194.08029	1.2
197.16385	1.1
204.06696	3.1
205.04924	0.7
205.09874	2.9
206.08244	11.1
206.10013	0.9
207.08392	0.8
207.14780	0.7
212.10292	0.8
215.03238	1.6
221.09167	1.2
224.07809	1.2
224.17386	1.8
225.16119	3.5
226.16357	0.7
232.06168	6.0
240.13737	0.8
242.18732	9.6
243.18877	0.7
249.08784	9.7
251.11658	1.8
255.11093	0.7
258.14825	1.1
261.15833	0.9
263.17340	0.9
266.11447	9.4
268.16611	1.2
271.10562	0.6
275.17374	1.4
275.40182	0.6
277.09656	1.1
278.10281	1.7
281.09109	0.9
282.17990	1.1
284.12610	0.9
291.11118	1.6
292.11993	1.2
293.12704	2.4
294.13199	0.5
301.15387	1.1
303.16983	0.6
315.09595	0.6
316.12961	1.1
324.10803	0.6
337.07208	0.6
337.11493	0.6
342.07220	0.7
342.10953	10.0
343.09430	0.7
357.16672	0.6
360.11880	1.3
370.24838	1.1
372.17017	0.7
414.23938	5.8
415.18945	0.6
415.24384	0.7
418.17764	1.1
431.26492	1.3
458.22958	19.1
459.17725	0.6
459.23410	3.3
474.13556	0.9
475.25833	4.5
476.17615	1.5
476.24475	0.5
477.19333	0.8
501.23602	1.6
508.20901	2.3
509.21512	0.8
525.27057	7.2
526.27350	1.4
543.28174	1.5
555.26257	0.9
568.11829	0.8
569.26221	100.0
570.26563	17.3
587.27271	47.2
588.27588	10.4
599.25061	4.9
613.25677	6.1
617.67010	0.5
631.26825	22.6
632.27258	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	629.3556
Annotation	3,13-Di-O-beta-D-glucopyranosilgeranyllinalol
Peak:m/z	Relative Intensity
53.58564	0.2
54.89280	0.2
55.01881	2.6
56.77287	0.2
57.03180	0.2
57.03453	2.8
58.00591	0.9
59.01382	20.6
59.13002	0.2
60.01709	0.3
61.98838	5.1
67.01897	0.3
68.99833	0.2
69.03468	0.9
71.01389	46.6
71.71505	0.3
72.01736	0.7
72.99316	1.7
73.02953	14.3
75.00883	0.7
81.03449	0.3
83.01397	9.0
84.02168	0.3
84.67363	0.2
85.02962	25.2
86.00128	0.4
86.03300	0.4
87.00893	2.8
89.02456	9.1
95.01405	4.9
97.02969	2.3
99.00903	6.1
99.04501	0.2
101.02459	34.4
102.02792	0.8
111.00859	0.9
112.01691	0.5
113.02468	21.6
114.02805	0.7
119.03516	3.1
125.02461	2.3
128.02802	0.2
129.01956	1.1
131.03540	1.0
139.00269	0.3
141.02031	0.2
143.03522	2.8
149.04613	0.2
159.03008	3.3
160.01840	0.2
161.04582	16.7
162.04895	0.3
179.05658	1.0
187.93541	0.2
202.31627	0.2
205.03621	0.9
211.13428	0.4
221.06671	1.1
221.73708	0.2
303.23114	0.3
360.95624	0.2
398.95468	0.2
467.30154	13.5
468.30618	1.9
511.29584	0.3
629.35571	100.0
630.35931	22.0
630.47174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51535	0.6
59.01088	1.1
59.01382	20.6
59.90591	0.5
61.98835	16.5
69.73547	3.0
69.73960	1.6
71.01395	6.5
71.16029	0.5
72.99314	0.7
73.02967	1.3
83.01373	0.7
85.02961	2.2
87.00910	0.6
88.98840	0.6
89.02462	5.1
92.05085	0.9
94.06651	1.9
95.05054	0.9
101.02456	4.5
102.91190	0.6
106.06651	1.4
108.04550	0.8
110.06136	5.3
113.02505	3.1
119.03535	3.1
120.04592	1.4
120.08215	3.2
121.05375	3.5
122.06145	27.5
123.06505	1.0
125.02477	0.8
130.06673	2.2
134.06137	8.7
136.05208	0.6
143.03554	1.2
144.04581	2.0
147.06964	0.8
149.06119	0.7
151.07637	1.4
159.05653	0.9
160.01701	0.6
160.04041	0.7
160.06459	8.8
160.07680	1.1
161.04797	3.6
162.05626	1.9
173.04866	1.3
174.05634	9.1
175.06169	0.8
179.05641	1.5
181.12425	0.7
187.50165	0.7
188.03560	1.5
188.07132	0.9
197.07187	1.0
197.11798	0.7
198.12964	0.7
203.05910	3.1
203.11911	1.6
211.08861	0.8
213.10355	40.5
214.10654	2.9
214.12457	1.0
215.11897	1.9
223.08749	1.3
225.10376	3.3
226.11134	4.1
227.11833	1.0
236.09607	1.6
237.10374	1.2
239.11905	19.6
240.12334	1.6
241.13483	23.0
242.13823	2.5
249.10408	0.9
251.11852	4.0
252.12463	0.7
267.11377	1.6
271.10822	0.7
277.09766	0.8
281.09326	2.3
282.10123	1.1
283.10883	4.6
285.12463	100.0
286.12784	10.1
291.11465	1.1
293.12988	7.4
294.13135	0.9
301.11957	4.8
311.10376	1.9
313.12073	1.3
315.13541	0.9
325.11993	0.8
326.98849	0.7
327.10043	1.1
328.10931	3.4
328.14505	1.4
329.11465	0.9
329.15356	2.2
330.16245	2.1
340.10962	1.4
341.11505	1.6
341.15302	0.7
342.12231	1.1
342.16141	1.7
343.13177	7.8
344.13965	1.5
344.17731	2.9
345.18350	1.6
346.19073	1.0
354.12463	1.5
354.16223	4.7
355.13400	1.5
356.13986	11.0
357.14749	2.7
358.15463	0.9
368.10089	0.6
368.17844	3.0
369.14642	2.6
369.18802	1.2
370.15643	17.3
370.19974	1.2
371.16309	4.7
372.17169	7.1
373.17612	0.8
380.14371	0.6
382.12027	1.9
383.12466	0.7
384.13333	2.3
384.17526	1.7
385.13889	1.3
385.18127	1.8
391.26810	0.7
396.13504	1.3
397.14346	2.3
398.15125	14.2
399.15408	2.5
400.16821	0.7
403.15274	5.3
404.15784	1.1
412.16730	9.9
413.17447	8.8
414.18112	1.3
416.16412	1.7
425.13425	0.7
445.16412	0.8
467.25076	0.8
481.22562	2.1
485.25381	2.2
491.24570	1.2
493.22302	5.3
494.22858	1.2
509.25641	0.7
511.23438	10.9
512.23730	2.7
523.23541	4.9
529.25006	0.8
535.15417	1.2
535.23492	23.8
536.23767	3.8
538.22357	1.2
553.24524	65.9
554.24927	13.4
556.23145	3.6
557.23920	1.0
567.22998	2.4
568.22919	0.7
579.22424	9.5
580.22772	1.7
585.28064	1.1
597.23584	77.9
598.23895	19.8
611.24609	3.9
612.26202	1.1
629.26355	38.4
629.37073	6.4
630.26581	9.1
630.36371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91057	0.6
59.01379	2.9
61.98836	6.9
71.01364	1.6
71.28928	0.5
73.02933	0.6
78.95909	1.8
96.08166	0.8
96.96027	1.4
96.96968	2.7
99.00845	0.7
99.92596	63.4
100.92606	3.9
100.93307	1.2
104.42780	0.6
115.92095	43.2
116.92104	1.7
116.92873	7.1
125.09714	0.6
138.01392	0.6
152.87688	0.6
167.14436	0.9
182.09135	0.6
201.81339	0.6
210.14989	1.3
211.13379	1.7
229.14365	1.4
250.79274	0.6
306.05377	0.7
466.28033	1.6
467.28378	2.2
529.31628	2.5
581.22034	1.1
584.24878	1.2
585.25122	0.9
587.34314	1.9
599.23163	0.9
629.24371	100.0
630.24658	25.9
643.22498	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	628.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44060	0.1
53.34688	0.1
57.03442	0.3
59.01377	2.4
61.98834	100.0
62.98539	0.3
71.01398	1.0
71.04999	0.1
71.29065	0.2
72.99338	0.2
73.02972	0.2
75.00873	0.1
80.96513	0.2
80.98318	0.1
82.06697	0.1
83.01416	0.3
85.02978	0.5
87.00901	0.2
88.98839	0.3
89.02480	0.4
93.03483	0.1
97.07561	0.1
99.00912	0.1
101.02443	0.7
105.01975	0.3
109.02947	0.1
111.00912	0.3
113.02478	0.4
119.03510	0.2
119.05063	0.2
121.02997	0.2
122.06146	0.2
123.00967	0.1
125.02468	0.6
126.02811	0.1
132.02225	0.1
133.02991	0.5
134.03761	0.4
135.04593	0.4
137.02499	0.4
145.02991	0.4
147.04588	0.1
149.02458	0.2
150.03223	0.2
151.00462	0.2
153.01976	0.2
160.01692	0.7
161.02501	1.1
161.04616	0.2
162.02820	0.1
164.04733	0.1
165.01924	0.1
165.05641	0.5
167.03500	0.2
174.01709	0.6
175.02623	0.2
175.04004	0.8
179.03528	0.3
179.05716	0.2
191.03525	0.3
192.99658	0.3
193.05196	0.2
201.11407	0.4
209.04666	0.1
209.11894	0.5
259.06082	0.1
260.06424	0.2
261.06540	0.2
267.07169	0.1
270.04819	0.2
271.05090	0.1
285.12631	0.4
297.07727	0.2
327.16321	0.1
535.22803	0.2
553.24799	0.2
565.26874	0.7
566.27026	0.3
575.58124	0.1
597.23706	0.5
628.16864	0.2
628.25928	0.3
629.26099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	67.9
60.01719	0.9
60.99301	1.3
61.71393	0.7
61.98811	0.8
69.62984	3.3
69.63415	3.2
71.01375	2.6
72.99299	1.2
85.02953	0.9
87.00880	1.4
87.99023	0.8
88.98823	5.6
89.02447	1.6
93.03437	1.5
95.43569	0.8
101.02456	1.2
121.02970	3.2
122.03765	5.5
123.04462	0.7
123.87742	0.7
132.02185	0.9
133.02962	1.6
134.03764	2.2
135.04558	1.5
137.02446	0.8
147.04535	1.7
149.02472	25.9
150.03250	54.1
151.03719	2.8
160.01691	1.3
161.02446	6.2
164.04803	7.0
165.05585	81.5
166.05965	4.5
175.04065	1.3
176.04811	5.5
179.03522	11.4
180.04312	4.9
191.07123	2.3
193.05083	1.1
194.05856	12.9
195.06645	100.0
196.06995	5.4
209.08217	42.6
209.09842	0.5
209.10287	1.5
210.08540	3.4
300.02505	1.0
303.04172	0.8
342.11044	5.9
357.13443	45.0
358.13828	5.7
387.14551	1.0
405.15582	33.8
406.15921	5.2
485.29282	0.8
628.24335	2.5
639.96344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35034	0.7
55.01860	0.8
59.01384	14.6
61.98835	60.7
63.56841	0.7
63.99255	1.7
65.14410	0.6
69.03483	0.9
71.01385	10.5
71.71724	0.7
71.72117	0.8
71.73728	0.7
72.99309	7.9
73.02940	2.1
75.00877	1.6
81.03470	1.0
83.01395	3.9
83.04995	0.8
85.02955	4.3
87.00901	0.7
88.98814	1.6
89.02470	4.1
92.88958	0.7
95.01411	3.1
99.00899	5.3
101.02470	4.7
103.00405	1.0
110.06158	1.0
113.02464	7.5
116.04306	1.3
116.05078	10.8
116.05828	1.1
117.03458	3.9
119.03534	1.8
119.04978	0.9
121.02937	1.3
121.05438	0.8
122.06151	7.8
123.04535	1.2
125.02478	2.7
127.00443	1.2
128.05115	5.4
130.06642	11.3
130.25301	0.6
131.03574	0.8
132.02228	4.0
132.04579	1.7
133.02974	2.9
134.03764	42.7
134.06165	2.9
135.04419	1.4
136.01723	1.2
137.02484	2.0
139.00389	1.3
139.04123	0.7
142.06650	20.9
143.03514	2.1
144.04556	2.8
145.03014	1.1
147.04558	2.2
148.05247	1.2
149.06102	7.3
150.03261	1.4
151.00494	0.7
158.03876	1.2
158.06140	31.7
159.04602	0.8
159.06503	1.2
160.01683	29.7
160.06499	1.5
161.02463	4.2
161.04561	3.5
162.02722	0.9
163.04089	1.2
165.05598	0.8
166.06746	3.5
171.10475	0.9
172.04088	1.4
173.05998	1.0
174.03273	0.9
174.05644	2.4
175.04028	50.1
176.04768	6.6
177.01933	1.3
178.02695	2.7
179.03508	1.3
184.07692	6.9
186.05627	13.7
191.07147	7.2
193.05077	94.4
194.05434	4.9
201.11382	3.3
202.02647	1.2
203.03601	0.8
203.05696	1.5
204.06671	100.0
205.06967	7.0
207.06677	3.0
209.11874	3.5
213.10349	10.7
215.11761	0.8
217.05110	5.4
220.03889	1.3
225.10431	1.1
226.11049	1.1
228.06679	27.7
229.03503	3.8
229.06999	2.2
235.06122	26.8
236.06534	1.5
239.11922	5.9
241.13489	5.5
246.07813	0.8
247.04604	2.1
251.11855	1.7
263.08344	0.8
265.07166	3.5
283.10803	1.1
285.12442	29.2
291.11392	1.2
293.13010	2.9
301.11966	1.4
311.10159	0.7
314.06671	1.7
330.16193	0.8
337.09357	1.1
343.12997	1.7
354.16183	1.7
355.10367	15.4
356.10513	1.4
356.14474	1.6
369.14288	0.8
370.15707	5.0
372.17163	1.6
379.10217	1.0
385.13135	0.8
398.15213	4.7
403.15359	1.6
412.16696	2.6
413.17419	2.8
423.09326	31.1
424.09732	4.1
434.11169	1.9
452.11966	2.9
492.17419	1.5
511.23407	4.3
523.23206	1.4
535.23456	8.0
553.24506	18.4
556.23181	1.6
579.22821	2.7
597.23578	26.3
628.30524	2.1
629.26373	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	627.2115
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
58.66195	0.2
61.98842	0.7
63.09762	0.2
70.86339	0.6
73.02959	1.5
79.57813	0.2
100.50558	0.2
208.79153	0.2
318.36029	0.2
437.12134	0.9
438.13281	2.0
439.13782	0.3
449.16318	0.2
450.13272	0.4
451.14020	1.5
452.14890	4.1
453.15335	1.1
459.17303	0.2
465.15814	0.7
465.52191	0.2
466.16373	0.8
469.11243	0.2
470.16449	0.2
479.17303	0.6
480.14517	0.7
481.15094	8.2
482.15366	2.1
483.20920	0.2
484.13800	0.4
491.17484	0.2
492.14819	0.2
493.15228	1.6
494.15820	1.0
495.16791	16.2
496.17145	4.7
498.15063	0.3
507.15884	1.2
508.17737	2.0
509.18448	2.1
510.18704	0.6
512.12915	1.0
513.13538	0.5
518.15515	0.3
519.16730	0.3
521.14435	0.9
522.15485	0.7
523.19397	1.1
524.17169	0.3
525.13593	0.2
526.14886	1.3
527.15485	0.3
530.14349	0.3
533.18097	0.6
534.18591	0.2
535.16357	2.3
536.16852	2.7
537.17456	0.4
539.15601	0.7
540.16998	2.7
541.16626	0.6
544.16333	0.2
550.17865	0.3
551.19342	37.6
552.19611	11.2
553.17468	0.7
554.18573	1.3
555.19263	0.9
556.19550	0.3
567.18860	0.5
568.15765	1.1
569.16473	0.3
572.15613	2.7
573.16010	0.6
582.16638	0.2
583.21906	0.4
586.17126	2.4
587.17371	0.6
595.18390	7.9
595.27911	0.4
596.18738	2.4
627.21130	100.0
628.21393	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44583	1.0
57.03468	1.0
59.01378	5.7
60.17721	0.8
61.98823	2.7
67.62134	0.8
68.74570	0.8
69.03458	1.2
69.72005	5.2
69.72423	1.4
71.01389	10.9
72.99323	1.7
73.02944	4.3
75.00864	0.9
79.08573	0.9
81.03497	1.6
83.01382	2.9
85.02966	5.5
86.98521	0.8
87.00890	27.4
89.02437	1.9
97.02956	2.2
99.00894	5.5
100.01673	3.7
101.02468	3.2
107.27515	1.0
109.02928	1.9
111.00903	13.0
112.98815	4.2
121.03007	0.9
123.00920	8.5
124.01687	1.0
125.02467	1.5
127.00415	1.1
127.04020	1.0
129.01952	2.3
131.03499	2.2
133.02959	1.1
134.03754	1.8
135.04535	1.4
136.01654	2.0
137.02470	10.8
138.03108	1.7
139.04022	1.4
142.99916	2.9
149.02446	2.9
150.03197	2.0
151.00337	1.7
151.04002	3.3
153.02010	1.1
153.05554	1.1
161.02496	6.8
163.04008	4.6
164.01152	2.2
164.04829	5.1
165.01953	86.7
165.05629	2.7
166.02711	7.3
173.00969	10.3
173.02391	1.7
174.01718	2.6
174.03163	1.0
175.02596	1.2
175.03981	2.1
175.07715	1.1
176.04831	4.3
177.01894	1.7
177.05545	2.2
178.06386	3.3
179.03519	23.3
179.07111	7.7
180.04312	59.2
181.05049	11.8
182.50305	1.0
188.04752	1.5
189.01978	1.4
189.05573	1.6
190.02684	2.0
191.03612	4.4
191.07195	3.3
192.04263	2.2
193.05089	2.4
193.08707	2.9
194.05861	11.6
195.02979	3.0
195.06647	78.3
196.06929	4.2
203.03456	2.0
205.05054	4.8
206.05823	3.2
207.06534	1.6
209.08237	8.0
210.05324	16.5
211.05984	4.5
217.05086	1.2
219.02963	2.5
219.06590	1.4
221.04616	1.4
221.08179	6.2
225.07700	49.1
226.08023	2.9
233.04541	1.6
233.08121	1.3
234.05287	2.9
235.06006	1.1
247.02449	4.1
247.06116	2.7
249.04016	1.7
249.07643	3.2
259.06000	1.0
261.04001	3.5
262.04813	8.3
263.05515	1.5
264.06323	5.1
265.07199	4.3
266.07767	1.2
269.04739	0.9
269.07736	1.1
276.06393	3.8
277.07111	11.8
322.06967	1.5
337.09326	36.3
338.09668	3.1
369.09430	1.2
373.12726	1.4
399.14523	6.4
400.14999	1.2
443.13605	3.4
455.13730	1.5
466.19614	1.3
473.14645	2.5
491.15588	19.7
492.15646	3.1
503.15527	3.3
509.93069	1.0
515.15527	2.0
521.16833	3.5
533.15680	1.1
551.17700	2.0
561.16119	2.4
563.17865	7.7
591.18695	1.7
609.18359	17.4
610.18945	3.5
627.19458	100.0
628.19775	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	627.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80263	0.7
56.60363	0.6
57.03448	1.9
59.01389	5.2
61.85851	0.7
61.98832	5.9
65.03924	0.8
67.01907	1.0
68.59029	0.6
69.03443	1.5
71.01384	6.7
71.71155	0.9
72.99310	2.0
73.02944	2.6
74.17484	0.7
75.00887	1.3
81.03470	1.3
83.01384	4.1
85.02960	4.3
87.00884	26.4
88.98817	1.3
89.02457	2.0
95.01356	1.1
97.02974	2.1
99.00888	4.5
100.01665	2.3
101.02441	5.0
101.77781	0.7
109.02988	1.5
110.00123	1.0
111.00892	26.9
112.98829	1.2
113.02454	2.9
115.00413	0.9
116.92876	0.8
119.03552	0.8
119.05028	1.0
121.02969	0.8
123.00858	2.0
123.04524	1.4
125.02472	3.9
129.01971	1.8
131.03499	2.7
133.02950	1.1
135.04530	1.6
136.01659	1.1
137.02472	11.5
138.03207	1.7
139.04094	0.8
142.99890	1.3
146.03688	0.7
147.02982	2.5
149.02481	5.1
149.06151	0.9
150.03227	1.7
151.00385	2.6
151.04028	3.3
153.01952	1.5
153.05545	2.6
161.02481	5.9
161.99625	0.8
163.04024	1.5
164.01163	1.6
164.04819	8.1
165.01945	79.3
165.05603	2.2
166.02632	8.6
167.03476	1.3
173.00938	2.2
173.02345	0.7
174.01706	1.3
175.02512	1.1
175.03954	1.1
176.04816	2.7
176.59653	0.7
177.01952	2.5
177.05589	1.3
178.02681	0.7
178.06367	1.3
179.03522	24.6
179.07126	11.4
180.04292	57.0
181.05017	11.2
190.02682	1.6
191.01971	1.9
191.03481	3.0
191.07120	1.5
192.04330	0.9
193.05040	1.1
193.08678	1.3
194.05829	10.2
195.02980	2.7
195.06638	71.5
196.06961	4.0
203.03566	0.8
205.01442	1.1
205.05043	3.1
206.06001	1.7
207.02977	1.1
207.06583	1.1
209.04561	1.0
209.08168	7.5
210.05341	13.3
211.06053	2.6
217.05060	0.8
219.02975	2.1
219.06584	1.6
220.03665	1.2
221.04576	1.3
221.08202	1.5
225.07683	29.7
226.08078	1.6
234.01691	1.1
234.05374	3.0
235.05981	1.1
237.07635	1.3
246.05307	1.0
247.02472	1.0
247.06096	1.5
249.04050	3.6
249.07668	8.6
250.04750	1.0
261.03964	1.1
262.04776	0.9
264.06366	8.6
265.07047	6.7
266.07574	1.5
275.05478	1.1
277.07092	2.1
279.08762	1.3
285.04016	2.2
291.08755	2.5
309.09827	0.8
321.09836	1.7
325.09528	1.0
337.09283	10.9
338.09750	1.1
357.09818	0.9
372.12036	0.9
383.09888	0.9
387.14566	2.0
399.14569	0.8
400.09793	0.7
443.13431	5.4
444.13495	0.9
465.10431	2.6
473.14203	0.9
491.15598	43.5
492.15884	7.5
503.15631	2.0
517.17133	2.6
535.18439	2.8
547.18469	1.2
551.17822	4.4
561.16473	1.3
563.18079	0.9
564.04675	0.9
567.26099	1.3
609.18433	9.9
610.18927	1.4
627.19452	100.0
628.19812	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18301	0.3
59.01378	3.2
61.98834	100.0
69.53275	1.3
69.53695	2.2
70.16241	0.3
72.99323	0.3
78.14584	0.4
83.01418	1.0
85.02966	1.1
89.02463	0.5
89.29591	0.4
98.20615	0.8
101.02472	1.1
103.72340	0.4
107.01407	1.2
108.02229	0.5
113.02494	0.6
114.80923	0.4
116.81332	0.4
121.96126	0.4
125.02472	1.3
126.04964	0.3
128.59190	0.4
129.88148	0.4
133.02972	1.2
135.04556	1.1
145.02997	0.5
149.02458	0.4
151.00394	4.7
152.00734	0.5
161.02492	2.0
162.02893	0.5
162.91597	0.4
163.00439	1.0
175.04042	0.4
178.99881	1.5
179.03540	0.6
185.06039	0.4
192.00729	0.4
211.03925	0.6
213.05594	0.4
227.03523	14.1
228.03886	1.4
229.05072	1.0
239.03505	0.5
243.03012	1.1
244.03300	0.5
254.01947	0.5
255.02983	33.1
256.03415	5.9
257.04507	0.6
271.02499	6.4
272.02847	4.4
273.03497	0.6
283.02576	1.2
284.03259	56.0
285.03867	11.3
286.04443	0.4
300.02774	13.6
301.03311	16.0
302.03781	4.9
303.04590	0.4
413.08765	0.5
463.08780	6.9
464.09189	7.7
465.09174	1.4
546.54303	0.4
563.14136	72.6
564.14404	11.0
626.12439	11.7
627.13367	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	625.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74884	0.5
57.43687	0.6
59.01192	2.4
59.01535	3.4
61.98991	36.1
62.97462	0.5
70.02800	0.9
70.03153	1.1
70.57767	1.4
71.01141	1.0
71.01573	2.1
71.02643	0.6
71.75215	0.5
72.00669	1.0
72.01099	1.9
74.02268	0.6
74.02626	1.3
74.78752	0.5
78.83275	0.5
85.02683	0.6
85.03114	1.2
88.98986	0.9
89.02629	1.3
93.03647	0.7
96.00459	4.5
96.01158	15.4
97.03715	0.7
97.04295	1.2
98.00764	0.9
98.01460	2.3
98.02044	1.6
98.02724	5.7
99.02145	0.9
101.02688	1.8
107.05224	0.7
107.99817	0.6
110.01948	1.0
110.02750	4.1
111.01099	0.7
111.01514	0.9
111.02262	1.8
111.99961	0.5
112.00664	1.6
113.02642	1.0
114.02151	1.2
116.05273	1.2
119.03700	0.6
119.05276	1.7
122.02712	0.8
123.02219	1.1
125.02682	0.7
129.10641	6.4
131.03781	0.9
133.03148	0.6
133.05971	0.5
133.06897	1.9
134.06351	1.0
135.01202	1.0
135.02307	6.3
135.04745	1.0
137.03816	0.6
139.09036	1.6
145.06900	3.1
146.06422	5.8
147.04808	0.8
148.07990	4.9
151.09073	1.8
153.06871	0.8
155.07191	3.3
155.08589	31.5
156.08850	1.2
158.06345	1.0
159.04871	2.6
159.07150	0.6
160.01892	0.6
160.07999	4.9
161.01524	0.6
161.02789	2.0
161.04810	0.9
162.09569	3.4
163.04292	0.7
163.09035	0.9
167.08452	0.6
174.05959	2.3
179.03850	0.6
179.05815	0.7
180.07024	2.9
186.05659	3.5
186.77747	0.6
188.07513	5.7
189.07030	1.7
200.07303	0.9
203.03682	0.8
203.08543	1.5
204.06952	0.7
205.10173	2.0
206.08600	6.2
207.08771	0.6
208.11160	1.6
210.91365	0.6
217.01645	0.7
221.07356	0.6
221.09645	1.3
224.11073	0.6
232.06161	4.0
242.12077	1.5
243.07962	1.2
249.08789	10.6
250.09482	0.8
259.11734	0.7
259.14844	2.0
261.08990	1.0
264.10068	1.3
266.11533	3.8
276.10352	0.8
278.11957	1.1
280.13620	0.9
284.10739	1.2
286.07410	0.6
292.13455	4.1
301.12222	0.6
301.15619	0.7
302.11813	1.3
302.15433	0.9
303.10312	1.6
304.09833	2.5
314.42236	0.6
316.17163	0.7
318.11377	3.5
328.09354	5.2
333.12665	1.0
336.12680	0.6
346.10760	0.7
448.22702	2.3
463.17450	0.7
463.23975	0.7
492.21399	13.5
493.22067	1.8
507.22513	1.3
509.24350	3.4
545.23932	2.1
547.22461	2.5
563.25165	2.5
565.23035	11.1
566.23370	1.8
589.23096	100.0
590.23431	19.4
601.86414	0.6
607.24030	7.4
608.24512	1.5
625.25269	54.8
626.25470	11.0
634.82898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
63.02432	0.5
65.00329	1.4
68.45740	0.3
69.38799	0.4
69.50276	3.4
71.01382	1.1
71.64153	0.3
81.86822	0.3
83.01399	1.0
86.63454	0.3
88.98828	0.6
89.02460	0.6
98.19844	0.8
101.02439	0.6
107.01407	2.6
109.02976	1.0
116.92885	0.5
121.02986	0.5
123.00947	0.5
124.01691	2.7
125.02490	2.1
135.00874	0.5
136.01697	1.0
137.02467	2.0
146.62790	0.3
151.00391	9.9
152.01236	1.8
153.02020	0.4
161.02516	0.7
161.04494	0.4
163.00427	1.7
164.01161	2.4
165.01936	0.8
165.05515	0.5
169.01421	0.7
175.04037	0.6
178.99875	8.7
180.00240	0.5
183.04419	0.4
187.03925	0.5
189.02048	0.5
192.00687	0.8
193.01494	0.5
199.04001	0.5
203.03461	1.5
204.04259	0.7
209.11830	0.5
214.02705	6.9
215.03413	1.0
227.03584	0.8
231.02882	0.8
242.02197	5.5
243.02951	3.5
244.03581	0.6
255.03017	1.2
259.02402	5.2
270.01706	7.1
271.02454	42.9
272.02808	3.9
287.01974	23.2
288.02466	2.6
299.01935	2.9
300.02768	4.6
301.03592	5.2
302.03952	0.5
315.01627	1.0
316.02255	94.5
317.02853	18.7
318.03409	1.2
380.44061	0.4
463.08737	4.1
481.02747	0.4
625.14221	100.0
626.14551	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07149	0.4
55.75189	0.4
57.03452	9.2
59.01081	0.9
59.01380	14.8
60.99303	0.8
61.98833	16.1
63.02398	2.0
65.00327	5.6
67.01864	0.5
69.03448	0.5
71.01382	6.5
71.09615	1.0
72.99323	1.0
73.02953	1.5
75.00879	2.6
81.03474	2.9
83.01401	7.6
85.02964	2.6
87.00913	1.4
88.98827	4.6
89.02457	4.5
93.03483	3.9
94.93420	0.5
95.01463	1.0
95.05041	0.5
97.02969	1.5
99.00928	0.7
101.02463	4.2
103.00377	3.9
105.03503	0.7
107.01413	7.0
107.05045	0.8
109.02962	1.4
111.00907	1.9
112.65861	0.4
113.02485	2.9
117.03480	3.1
119.03510	1.3
119.05056	1.5
121.03004	2.4
122.03773	0.5
123.00916	0.6
123.04569	2.2
124.01660	1.9
125.02466	61.9
126.02810	2.3
129.01990	0.7
131.03540	0.8
131.05026	1.0
132.02219	1.3
133.02989	3.9
134.03780	3.7
135.04520	1.9
137.02489	2.1
139.04031	1.4
143.03485	0.6
145.02997	1.4
145.06572	0.5
147.04544	1.7
149.02478	4.7
149.06059	0.7
149.99600	1.7
150.03218	1.5
151.00395	29.0
152.01178	6.2
153.01962	10.5
155.05051	0.6
157.06534	1.2
158.03770	1.2
159.04533	1.6
160.01665	6.0
161.02473	5.2
161.04549	1.1
163.00381	3.5
163.03995	0.8
164.01112	0.6
165.01971	1.7
165.05594	3.8
165.12897	1.2
167.03563	0.9
169.01433	1.7
169.06616	1.0
172.05354	2.5
173.06097	5.1
175.02542	0.7
175.04004	8.6
176.01146	3.6
177.01939	1.9
177.05557	2.0
177.99139	0.7
178.99895	13.4
179.03510	3.2
179.05629	2.3
180.00218	1.0
180.05725	0.6
181.06627	1.1
183.13933	10.5
184.14264	0.4
187.07625	0.8
191.03532	1.0
191.07173	1.1
193.05081	3.0
195.06517	0.5
196.05394	0.6
197.06104	2.3
199.04019	1.4
199.07773	0.7
200.04767	1.1
201.05592	3.1
205.05023	0.6
209.04597	0.9
209.11867	0.8
213.05574	1.3
215.07164	7.8
216.07448	0.7
225.05522	3.7
227.12910	1.2
233.04735	0.7
240.04237	0.7
241.05067	4.5
242.05486	0.6
243.06609	4.3
246.14967	0.5
257.09637	0.6
258.12494	0.5
259.06104	89.4
260.06424	8.2
265.09702	0.5
267.07718	0.4
268.03796	1.1
269.04538	100.0
270.04901	9.4
273.07654	1.0
283.06107	1.0
287.05603	30.8
288.05984	1.9
295.08356	0.7
300.02722	1.2
311.05664	1.6
323.07693	1.5
337.09384	2.6
339.08612	0.5
340.09158	0.6
341.09293	0.6
397.13388	0.6
402.37134	0.5
415.14807	0.6
440.16013	0.4
463.12674	1.0
517.09692	0.6
518.10712	2.2
521.33289	1.7
563.22070	0.6
597.16138	3.8
598.16644	1.0
607.14520	6.2
607.34967	0.7
608.15125	1.7
624.67102	0.5
625.15759	46.8
625.27075	16.0
626.16327	11.3
626.27319	2.4
638.08777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
59.52404	0.3
61.98812	0.6
65.00347	0.9
70.02207	1.9
71.01395	0.7
72.99350	0.4
79.31920	0.3
83.01408	0.7
89.02465	0.5
93.03464	0.4
93.85123	0.3
107.01396	2.1
109.02965	1.0
114.33601	0.3
121.02959	0.9
125.02457	0.7
133.02991	0.6
137.02501	0.4
147.00929	0.3
147.04572	0.4
149.02495	0.9
151.00400	7.0
157.28674	0.3
163.00363	0.7
163.04083	0.4
169.01453	0.4
171.04536	0.7
175.00371	1.4
175.04010	0.9
178.99850	1.6
183.04442	0.6
187.04045	0.5
190.21509	0.3
191.03503	0.5
193.01311	0.4
199.04016	3.4
200.04378	0.4
201.01967	0.5
201.05716	0.4
203.03531	0.4
209.11789	0.4
215.03531	1.9
226.02696	1.1
227.03485	2.8
243.02979	4.1
251.34966	0.3
254.02213	0.7
255.03040	2.1
271.02469	57.6
272.02789	4.8
299.01984	100.0
300.02551	20.1
301.03543	43.4
302.03906	4.3
313.03561	1.4
343.04535	1.2
462.08017	21.5
463.08762	32.9
464.09082	4.8
505.10144	1.0
625.14233	84.2
626.14551	14.3
649.88617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
57.03447	2.2
58.00597	1.3
59.01382	100.0
60.01706	1.9
60.43038	0.9
61.98834	18.9
67.72117	1.0
69.03468	3.1
70.89957	2.8
71.01389	42.2
72.01704	1.6
72.99316	2.5
73.02952	23.8
75.00897	2.9
81.26604	0.8
83.01397	8.8
85.02962	23.7
87.00900	3.0
89.02454	17.1
93.03460	1.6
95.01405	8.3
97.02949	1.4
99.00888	2.3
101.02461	52.0
102.02789	1.9
106.82632	1.0
107.93433	1.0
109.02961	1.7
111.00923	1.3
113.02467	58.2
114.02773	2.2
116.92883	1.1
119.03536	8.6
119.05007	2.6
120.39744	1.0
121.02976	1.4
125.02470	2.6
129.21866	1.1
131.03532	9.0
133.02979	2.6
135.04559	1.4
137.02440	1.1
143.03517	7.1
145.02988	3.2
147.03043	2.0
147.04486	2.0
149.04561	9.5
151.04013	3.5
160.01651	1.6
161.02454	4.4
161.04591	16.3
162.04854	1.1
165.05609	4.0
166.02768	1.9
175.02583	1.6
175.04056	2.2
176.60559	1.0
179.03531	1.2
181.05077	3.1
187.03984	1.3
187.05954	1.3
189.05724	1.3
190.02748	1.3
193.05093	1.2
203.03627	1.1
204.06584	1.3
221.06659	3.6
238.06297	1.6
241.08713	1.3
247.06053	2.5
255.10219	3.6
256.36942	1.1
266.05844	1.5
269.11798	1.2
271.02536	1.7
273.20477	1.0
283.09775	11.0
284.10135	1.0
295.09476	1.7
298.12085	2.3
299.01770	2.2
300.02750	1.2
310.12222	1.5
311.09253	38.4
312.09460	3.5
325.10718	5.7
326.11603	25.2
327.11969	2.5
341.10501	1.4
341.13943	38.3
342.14230	5.1
353.10440	3.2
361.16653	4.0
365.10086	2.5
387.14609	2.1
417.15298	1.4
418.15878	1.6
419.16058	2.5
459.14417	8.1
471.14325	1.5
471.72308	1.1
503.13260	1.4
515.12952	2.2
519.31726	4.3
561.17554	2.6
563.30182	2.1
605.16437	3.2
623.17804	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	625.1217
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
57.03449	0.4
59.01379	3.1
61.98840	4.8
63.02393	0.9
65.00317	1.2
65.78439	0.3
66.77660	0.3
69.66333	0.8
69.66737	2.2
71.01393	2.0
72.99304	0.4
73.85657	0.3
83.01395	1.4
85.02959	0.6
87.00881	0.6
88.02847	0.4
88.98820	0.8
89.02446	0.6
91.01933	0.4
91.69821	0.4
92.37460	0.4
93.03483	0.5
101.02456	1.1
107.01394	3.9
108.02211	0.8
109.02963	1.6
111.00888	0.7
113.02407	0.6
119.03571	0.3
119.05110	0.4
121.02973	2.6
125.02444	0.7
131.03532	0.4
132.02203	0.5
133.02975	3.8
135.00871	0.4
135.04556	3.0
137.02454	0.6
143.04762	0.3
145.02960	0.4
148.01717	0.9
149.02458	0.8
150.03209	0.5
151.00388	13.7
153.01888	0.4
161.02464	8.9
161.04521	0.5
162.02847	0.5
163.00403	3.2
163.04077	0.3
164.01195	1.0
165.01834	0.5
165.05524	0.6
169.01425	1.0
171.04509	0.4
175.03955	0.6
175.29514	0.3
178.99904	6.4
179.03520	1.4
180.00217	0.5
185.56235	0.4
187.04019	0.5
190.02722	1.0
190.99928	0.6
191.03447	0.4
195.06770	0.4
200.04726	0.4
203.03522	0.8
205.05138	0.6
211.04025	1.2
215.03545	0.5
216.04300	0.5
226.02733	1.4
227.03500	2.7
229.05043	0.8
243.02995	8.7
244.03659	0.9
245.04456	0.9
254.02257	1.7
255.02971	23.5
256.03391	2.2
271.02472	44.2
272.02899	4.9
273.03970	1.2
283.02441	1.6
284.03238	1.2
299.01974	1.3
300.02756	100.0
301.03485	55.9
302.03864	4.7
311.07623	0.5
323.07806	1.0
430.17746	0.4
463.08813	67.3
464.09073	8.8
464.15573	0.5
563.14111	1.4
607.26013	0.4
625.12146	62.1
625.35828	1.8
626.12329	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	623.1632
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
59.01381	11.4
65.00347	1.4
71.01391	1.5
71.72070	0.7
77.22384	0.5
83.01411	0.6
85.02946	0.8
101.02496	0.9
107.01398	1.3
108.02223	0.9
113.02477	0.8
119.05069	0.5
121.02969	1.5
122.03749	1.3
132.02191	1.2
132.64531	0.5
133.02998	1.2
134.03764	2.0
135.04535	0.8
137.73192	0.5
142.06651	1.4
145.03017	0.7
147.00912	0.6
148.01617	0.5
149.02420	2.9
150.03247	8.6
151.00410	4.5
153.02011	0.5
159.04486	0.7
160.01677	9.6
161.02536	2.4
161.04572	0.6
163.00412	1.2
163.04030	0.6
165.05582	7.5
169.01532	0.6
171.04594	0.6
175.02515	0.8
175.04021	12.3
178.99881	0.7
180.04295	0.9
183.04572	0.9
186.05574	0.6
187.03995	1.1
193.05104	2.1
195.06644	4.8
199.03983	5.2
201.01958	0.9
204.06735	0.9
211.03983	0.7
215.03529	2.3
227.03499	5.7
228.04079	0.9
242.02159	3.6
243.02968	29.1
244.03529	3.0
246.07823	0.6
254.02232	1.3
255.02992	17.8
256.03476	2.2
257.04544	3.3
259.06009	0.5
270.01685	3.7
271.02463	49.1
272.02969	7.8
282.09055	0.8
285.04010	6.6
286.04800	2.5
287.05548	2.0
299.01987	45.1
300.02731	41.9
301.03128	3.6
314.04327	43.5
314.08154	0.9
315.05096	95.3
316.05447	7.2
329.14011	2.3
341.10287	2.6
356.12714	0.7
357.06122	1.2
371.15042	1.4
383.14905	1.0
389.16132	1.4
427.16129	17.1
427.22067	0.9
428.16226	1.2
434.97125	0.6
575.21100	0.6
623.16266	100.0
624.16644	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13802	0.5
57.03446	1.5
57.65884	0.4
59.01380	9.8
61.98839	2.3
67.01888	0.5
68.99826	0.5
69.03471	0.6
70.66672	0.4
71.01389	7.9
71.71486	0.6
72.99307	2.7
73.02956	1.0
75.00880	9.9
77.42758	0.5
83.01402	1.0
85.02956	12.2
87.00881	4.3
89.02442	3.1
93.03510	0.5
95.01396	2.5
99.00892	6.5
101.02454	1.4
101.06097	64.6
102.06431	1.4
103.00404	1.2
105.01971	0.5
109.03005	0.6
111.00895	1.2
113.02467	13.2
115.00401	1.9
117.01920	2.2
119.03493	0.6
121.02940	0.6
125.02464	0.7
128.03564	0.5
129.01982	1.8
134.03819	0.5
135.04593	0.8
139.03979	0.5
147.04533	0.6
149.02399	0.5
150.03188	0.6
151.03903	0.6
153.01964	0.6
157.01430	0.6
161.02460	1.4
161.08199	0.9
165.04054	2.6
165.05608	1.3
170.58348	0.5
174.01740	0.9
175.02493	1.5
175.03938	0.8
177.01959	0.6
193.05078	0.7
194.05394	0.4
205.07098	0.5
231.05072	1.1
249.06140	9.8
250.06494	0.7
267.07217	1.1
333.11743	0.8
335.25156	0.5
351.12982	100.0
352.13358	8.4
506.08328	0.5
623.18805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86077	1.1
57.03456	1.5
58.02974	3.0
59.01378	53.9
60.99304	2.3
61.98824	5.4
62.01718	1.1
63.73987	1.1
64.98135	1.1
69.50648	1.6
69.50981	12.1
70.13673	1.2
71.01388	5.8
72.99310	6.5
73.21960	1.2
75.00877	2.6
77.52791	1.2
85.02950	2.5
85.37271	1.2
87.00903	2.6
88.98804	10.5
89.02457	2.9
98.20665	2.4
99.00871	1.3
101.02459	2.2
105.01938	2.9
108.15926	1.1
111.00863	2.1
113.02439	1.8
113.11941	1.0
119.05070	7.2
121.02982	8.6
125.02434	1.3
134.03706	1.2
135.04523	3.2
142.20969	1.1
147.04547	100.0
148.04858	6.5
151.00404	1.2
161.02443	3.0
163.90836	1.1
164.07217	8.5
165.04111	9.1
165.05574	85.7
166.05872	3.9
185.29060	1.1
194.96210	1.2
206.08232	11.2
207.06665	54.5
207.08560	5.0
208.06963	3.4
236.09218	4.1
249.06070	2.3
252.28914	1.4
256.26007	1.2
269.01044	1.6
287.01822	2.1
297.00415	2.4
315.01651	1.7
315.05545	1.3
371.09811	6.6
372.10059	1.7
401.79819	1.3
614.65405	1.3
623.13049	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	621.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23345	0.2
57.03440	0.3
59.01382	8.9
61.98834	10.3
68.99574	2.4
71.01390	3.0
71.71507	0.4
72.99313	8.6
73.02959	1.1
75.00884	0.3
79.67261	0.2
83.01398	1.0
85.02983	1.3
87.00900	0.3
88.98824	1.8
89.02453	1.8
95.01419	0.6
99.00898	0.4
101.02444	1.9
101.03996	0.5
108.02191	0.2
111.00874	0.4
112.98580	2.7
113.02476	1.7
116.90606	0.2
116.92873	0.3
117.03481	0.3
119.05045	10.4
120.05391	0.8
125.02499	0.3
127.05542	2.2
135.04546	0.4
137.02429	0.4
145.06622	1.1
147.04546	44.7
148.04875	3.8
149.02446	0.2
149.05096	0.5
150.03278	0.4
153.09241	1.5
160.01591	0.4
161.02466	0.6
161.04573	0.6
165.05597	100.0
166.05934	8.5
167.06125	1.4
168.18747	0.3
175.04050	0.4
179.03619	0.2
179.05685	0.3
189.05600	25.7
190.05940	2.8
191.06134	0.5
193.01401	0.4
204.06641	0.2
205.05037	0.3
225.14998	2.0
226.15575	0.3
233.04558	0.2
255.06619	0.3
269.04434	0.4
271.02484	1.1
285.04245	0.3
288.83026	0.3
342.03851	3.0
343.04248	0.4
369.19162	0.9
387.20264	0.8
409.08951	0.3
429.21393	3.1
430.21637	0.5
455.19156	3.6
456.19501	0.5
483.21835	0.3
561.29010	0.8
615.36481	0.3
621.14667	3.5
621.25641	2.4
621.35657	1.8
622.15613	0.4
622.25940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02367	0.6
58.42720	0.6
61.98836	6.1
71.01385	0.6
71.19492	0.6
82.24760	0.6
108.91721	0.6
114.75317	0.7
117.03502	0.9
119.05049	0.9
120.27974	0.6
121.02987	0.8
145.02950	3.5
147.02969	0.6
152.99741	0.6
176.09409	0.6
194.12555	0.6
229.86583	0.7
259.63275	0.7
284.93057	0.6
405.02982	0.6
471.34793	100.0
472.35153	17.0
575.37341	1.1
619.38086	6.2
620.37201	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	620.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23708	0.2
61.98833	100.0
62.98531	0.4
70.05669	0.7
70.06086	0.7
71.50479	0.2
72.64391	0.2
74.40312	0.2
76.57719	0.2
112.13910	0.2
115.31163	0.2
165.10089	0.3
192.39081	0.2
255.23343	0.3
344.53326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52693	0.1
53.77065	0.2
55.01866	0.1
57.03440	0.1
59.01380	6.7
60.99336	0.1
61.98833	3.7
69.17838	0.1
69.68813	1.1
71.01379	1.5
72.99313	8.0
73.02952	0.5
73.99696	0.1
74.00098	0.1
83.01385	0.2
85.02962	0.4
87.15480	0.1
88.98775	0.2
89.02456	0.8
91.05534	0.3
95.01379	0.3
99.00864	0.1
101.01897	0.2
101.02460	1.0
101.03979	0.5
103.05537	0.1
105.64979	0.1
110.02551	0.2
113.02457	0.7
117.03453	0.2
119.03559	0.5
119.05045	10.8
120.05386	0.6
127.05550	1.7
135.04559	0.2
145.06618	0.7
147.04541	42.2
148.04872	2.8
161.02519	0.4
161.04553	0.3
163.04048	0.1
165.05586	100.0
166.05920	5.1
167.06058	0.2
179.05655	0.2
189.05585	15.5
189.12976	0.3
190.05905	1.5
387.20123	0.6
429.21182	0.7
455.13126	0.2
455.19150	1.4
456.19666	0.2
483.21918	0.2
492.20718	0.1
603.24420	0.4
604.24872	0.2
621.24200	0.9
621.34485	0.3
622.25745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21527	0.5
61.98825	2.2
71.62584	0.5
71.62916	0.8
73.02959	5.6
82.88123	0.4
99.00919	1.1
99.92603	9.8
100.92596	0.9
116.92877	100.0
117.01960	12.6
117.92886	4.8
145.02971	0.5
149.96269	0.6
153.94757	0.4
202.63435	0.5
264.80606	0.6
441.98816	0.5
469.33627	0.8
470.34457	0.5
471.31094	1.0
501.32266	5.9
502.32776	1.3
584.14874	0.6
584.24414	1.3
601.24738	1.9
618.39368	1.4
619.38287	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	619.3504
Annotation	Coagulin Q
Peak:m/z	Relative Intensity
51.70093	0.2
55.01868	0.8
55.24179	0.2
55.55328	0.2
57.03444	0.8
58.00602	1.3
59.01381	25.7
60.01723	0.3
61.98833	6.3
63.89284	0.2
64.97331	0.2
71.01389	17.4
71.71555	0.4
72.01721	0.2
72.99310	2.2
73.02950	1.2
75.00880	0.3
83.01398	1.8
85.02964	4.7
87.00885	0.7
88.98808	0.6
89.02453	14.3
90.98608	0.8
95.01388	1.6
97.02947	0.3
97.06611	1.3
99.00879	0.9
101.02457	13.1
103.27311	0.3
111.00908	0.4
113.02460	5.8
114.17381	0.2
119.02749	0.4
119.03522	4.8
121.02950	0.3
131.03540	0.3
143.03513	0.2
145.03001	0.3
149.04564	0.3
161.02516	0.3
161.04591	0.4
171.10252	0.8
179.05629	0.3
185.11823	0.3
193.05043	0.3
209.11729	0.3
265.78598	0.2
393.28082	0.2
395.29443	0.3
439.28485	1.8
619.35052	100.0
620.35388	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01366	1.3
61.98835	8.1
69.03467	0.5
71.71836	0.8
71.81683	0.6
78.95914	1.0
81.03381	0.5
105.01950	0.9
116.92894	0.7
117.03481	16.6
119.05042	17.4
121.03003	2.7
123.04460	0.9
130.59808	0.6
133.02986	0.8
145.02977	56.0
146.03310	3.3
163.04056	5.4
207.58315	0.6
259.76596	0.6
272.04004	0.6
327.54529	0.6
352.90945	0.6
367.20261	0.7
455.31650	2.4
471.34821	46.3
472.35168	7.7
485.32877	0.9
575.37286	5.0
619.36633	100.0
620.37006	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	619.3655
Annotation	Coccinone C
Peak:m/z	Relative Intensity
55.46912	0.2
55.90271	0.2
57.03449	0.4
59.01390	0.2
61.98836	1.8
74.01751	0.2
98.19918	0.6
117.03487	16.4
117.39428	0.2
118.03825	0.8
119.05048	14.7
120.05402	0.6
121.02979	2.3
123.04536	0.6
133.03001	0.9
145.02979	55.0
146.03326	2.8
147.04518	0.3
162.03273	0.9
163.04037	9.8
164.04424	0.4
164.83759	0.2
176.89313	0.2
220.74236	0.2
411.32718	0.2
439.28326	0.3
455.31671	1.1
469.33307	2.2
470.33597	0.5
471.33920	0.5
575.37488	10.3
576.38043	1.9
601.35913	0.3
619.36584	100.0
620.36871	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	619.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30482	0.2
57.03458	0.3
58.00594	0.3
59.01381	9.3
61.98834	7.1
71.01389	5.0
71.71886	0.3
72.99314	8.7
73.02956	3.1
73.99659	0.2
75.00890	0.3
78.95886	0.2
83.01408	1.7
83.05064	1.2
84.02200	0.5
85.02964	1.0
87.00890	0.2
88.98797	0.3
89.02460	2.1
91.05543	0.2
95.01411	0.9
97.02986	0.2
99.00900	0.3
101.02460	4.8
101.03089	0.4
101.03909	0.3
103.00386	0.5
111.00902	0.4
113.02464	2.4
113.73597	0.2
117.03484	0.2
119.03532	0.8
119.05045	10.0
120.05394	0.5
125.02501	0.7
127.05571	2.7
128.05791	0.2
130.08766	0.2
131.03497	0.3
131.08684	0.2
133.03032	0.3
139.00433	0.2
143.03577	0.6
145.06650	1.2
145.67097	0.2
147.04544	46.2
148.04887	2.6
149.04543	1.0
161.02504	0.4
161.04588	2.5
165.05592	100.0
166.05936	5.2
167.03537	0.2
171.04544	0.4
171.10313	0.3
172.10526	0.3
179.03769	0.2
179.05635	0.4
189.05591	29.0
190.02763	0.2
190.05920	2.0
205.12363	0.4
205.14328	0.2
207.06657	0.6
209.11746	0.4
210.12225	0.3
221.06683	2.2
233.04514	0.2
247.01701	0.2
247.04475	0.3
453.17804	1.6
481.20303	0.3
573.33710	0.2
619.23877	2.5
619.34833	8.6
620.24628	0.6
620.35095	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	619.2577
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.02206	0.7
61.98830	6.5
65.19696	0.6
65.99344	0.6
66.17281	0.6
66.19950	0.7
68.99856	0.8
71.71036	0.8
99.48531	0.7
107.69450	0.6
110.86048	0.7
169.25795	0.7
176.62892	0.8
210.22356	0.7
227.50822	0.7
231.43112	0.6
292.13693	0.9
389.15408	1.0
401.14001	2.3
415.15543	1.8
416.16476	11.5
417.16797	1.3
429.17310	2.0
430.17908	2.7
431.18756	1.5
434.17239	0.8
444.15848	1.5
448.15341	1.0
458.17236	1.3
459.18234	100.0
460.18579	18.3
473.19815	14.2
474.20544	7.6
485.15622	0.9
501.19528	1.4
503.17068	3.4
504.18076	1.2
517.18805	1.3
518.19537	44.5
519.19739	8.9
529.18494	1.0
532.21045	8.5
533.21875	83.0
534.22290	13.9
587.23138	6.1
588.23157	1.5
619.25739	92.8
620.26050	20.1
635.65784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3867
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
51.75356	0.2
61.98819	0.3
63.38260	0.2
71.71863	0.3
79.70224	0.2
83.09234	0.3
93.03474	0.2
101.02495	0.4
117.03484	13.2
118.03870	0.3
119.05043	10.5
120.05386	0.2
121.02975	1.6
123.04498	0.5
133.02959	0.3
137.20879	0.2
145.02974	36.3
146.03328	1.7
154.87404	0.2
162.03207	0.5
163.04047	3.1
178.32970	0.2
216.83560	0.2
453.33633	1.8
454.34479	0.3
455.35233	2.0
456.36078	0.3
497.32590	0.9
499.34183	2.6
500.34503	0.6
617.38605	100.0
618.38928	23.3
618.49750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.407
Annotation	Lansioside B
Peak:m/z	Relative Intensity
61.98836	0.8
71.01375	0.9
71.71647	0.6
78.95905	0.7
80.11882	0.6
84.73892	0.7
101.02461	2.9
111.13329	0.7
113.02509	1.8
131.03496	0.7
142.43376	0.6
145.02945	0.8
161.04587	1.8
162.41275	0.6
455.35297	100.0
456.28998	0.9
456.35623	18.7
617.38312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69092	0.5
61.98832	100.0
71.71244	0.9
78.95921	0.9
80.85023	0.6
99.74339	0.5
112.39297	0.6
175.35693	0.5
199.13397	0.7
207.10120	0.9
225.11467	1.1
248.93948	0.6
255.23311	3.0
405.20148	0.5
432.98880	0.6
555.31055	1.0
555.38989	7.8
556.39227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98537	0.4
63.99261	0.9
66.38158	0.3
69.37836	3.3
78.95925	0.5
82.30822	0.3
154.89969	0.3
181.64058	0.3
255.23468	0.6
334.69070	0.4
555.38702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.1
59.01381	5.1
61.98833	2.7
66.38339	0.1
69.68668	0.1
69.96078	0.1
70.73540	0.4
71.01391	2.1
72.99313	8.4
73.02956	2.4
83.01389	0.9
83.05025	0.9
85.02975	0.4
89.02464	1.1
91.05557	0.2
95.01419	0.2
101.02463	2.6
101.03999	0.3
103.00397	0.4
103.05592	0.1
109.27139	0.1
113.02457	1.1
117.03477	0.3
119.03551	0.7
119.05045	11.1
120.05405	0.4
125.02473	0.3
127.05554	3.0
130.04301	0.2
131.03528	0.2
132.84550	0.1
143.03528	0.4
143.05138	0.1
144.77135	0.1
145.06624	1.2
147.04544	45.4
148.04868	2.0
149.04596	1.0
161.04602	1.8
164.04901	0.1
165.05591	100.0
166.05933	4.4
171.04552	0.3
179.05602	0.3
189.05591	27.3
190.05913	1.7
203.05634	0.2
205.12294	0.4
221.06667	1.9
233.04478	0.3
360.45398	0.1
453.17734	1.8
454.18176	0.2
457.85162	0.1
600.62073	0.1
619.23895	2.7
619.32843	0.2
620.24390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.3
147.03056	0.6
173.90161	0.5
186.42412	0.5
193.28737	0.5
227.61377	0.5
229.92665	0.7
253.59729	0.6
463.20364	0.5
469.33231	100.0
470.33585	20.1
617.30145	0.8
642.17407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3862
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.57211	0.2
54.91428	0.2
56.14960	0.2
56.40828	0.2
69.66506	1.6
96.05295	0.2
107.33704	0.2
117.03487	9.4
118.03795	0.3
119.05049	6.9
120.05363	0.3
121.02982	1.6
123.04527	0.6
138.95076	0.2
145.02979	29.3
146.03329	1.4
159.00475	0.2
162.03264	0.4
163.04034	5.7
164.04378	0.2
299.71127	0.2
453.33762	2.2
454.34515	0.3
573.39478	0.6
617.38623	100.0
618.38959	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	617.3863
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
68.07944	0.2
71.03178	0.4
71.03591	0.4
76.78635	0.2
117.03486	10.4
119.05045	6.6
119.05906	0.3
120.05388	0.4
121.02966	1.4
123.04549	0.3
133.02899	0.2
133.62874	0.2
145.02979	29.3
146.03365	1.1
162.03224	0.6
163.04039	5.4
164.04308	0.2
303.27533	0.2
453.33987	1.7
454.34335	0.3
456.10303	0.2
573.39661	0.7
617.38623	100.0
618.38965	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	616.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98544	0.2
69.03466	0.2
70.28067	0.6
78.95935	0.1
89.08215	0.2
93.10724	0.2
96.40998	0.2
98.19901	0.2
161.09778	0.3
179.10747	0.8
197.11861	1.8
208.37059	0.2
225.70720	0.1
241.10802	0.3
255.23280	2.4
256.23734	0.3
315.14548	0.3
469.41354	0.2
553.37421	6.3
554.38098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28386	0.6
55.48100	0.7
59.01379	47.1
59.12978	0.8
69.75436	3.1
69.75844	1.7
71.01397	2.1
72.99312	6.2
75.00888	2.1
75.32200	0.6
76.89777	0.7
85.02946	1.9
87.00882	0.9
89.02437	1.1
98.19933	1.1
101.02505	0.8
113.02480	2.1
115.07657	5.5
115.20250	0.7
119.05074	6.5
147.04549	100.0
148.04927	4.1
152.01213	1.8
161.02487	1.4
163.04240	0.7
163.06160	1.6
165.05597	91.9
166.05954	5.4
167.03529	2.4
177.28290	0.8
180.04216	0.7
202.53218	0.7
202.92667	0.7
207.06641	55.6
208.07024	4.2
286.11401	0.8
363.95877	0.7
365.14566	6.9
366.14694	0.9
431.03467	0.8
455.15701	1.2
513.62408	0.8
559.18701	1.3
617.25165	1.0
626.02826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98600	0.2
59.01381	28.6
60.01720	0.3
61.98833	100.0
62.98530	0.3
64.56762	0.2
67.31183	0.1
68.10841	0.2
69.43259	1.7
71.01390	2.5
73.02955	0.9
75.00845	0.2
83.01384	0.3
83.04993	0.2
85.02952	0.8
88.44485	0.2
88.98828	0.2
89.02464	0.2
95.01392	0.2
99.00884	0.3
101.02460	1.5
111.64948	0.2
113.02475	0.8
119.05032	0.2
120.73870	0.1
129.38266	0.2
159.02936	0.3
161.04596	0.9
162.99855	0.2
167.33694	0.2
171.10217	0.6
209.11742	0.4
222.15724	0.2
238.84337	0.1
261.63385	0.2
467.30243	2.4
468.29681	0.5
509.31177	2.2
510.30820	0.4
553.28998	0.2
617.35516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97852	0.8
59.01368	4.2
61.98836	6.7
69.88464	1.0
71.01392	1.3
71.71825	1.6
71.72195	1.1
95.01379	1.0
101.02432	1.4
108.02200	1.0
113.02443	1.0
121.02943	1.2
134.03751	7.7
137.02423	1.5
142.06638	1.6
149.06110	1.7
151.00328	3.2
156.00664	2.3
161.02426	1.1
165.05571	1.4
174.01790	4.8
178.02686	5.0
178.99944	1.9
193.05045	14.1
204.06670	1.1
213.12878	1.5
216.04184	1.1
227.03526	2.0
237.14963	2.6
243.02968	6.8
246.07658	1.3
254.02261	1.4
255.02974	19.1
271.02463	43.3
272.00232	1.2
272.02740	4.6
275.18134	1.0
299.02155	1.6
300.02759	100.0
301.03223	12.9
393.19330	4.5
540.52075	1.1
579.13580	96.9
580.13971	17.9
615.25171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
57.46334	0.6
59.01382	21.9
61.98832	3.9
65.00340	0.8
67.01888	0.6
69.03442	0.9
69.40539	3.8
69.40972	2.7
71.01384	12.2
72.99318	1.3
73.02956	11.5
74.94469	0.6
83.01400	5.8
85.02947	2.7
87.00906	3.4
89.02451	3.9
96.01739	0.7
97.02975	0.9
99.00899	4.4
100.01695	2.9
101.02461	10.5
107.01438	0.9
108.02219	1.5
111.00895	9.0
113.02483	4.0
113.99607	37.4
115.00398	16.0
119.03552	0.7
121.02950	1.0
125.02499	0.8
125.10139	0.7
127.04040	0.9
128.01199	4.0
131.03511	1.1
133.02989	0.9
134.03749	3.0
135.00948	0.9
135.04524	0.7
137.02477	1.6
139.00397	2.8
142.06635	2.1
143.03555	0.8
148.01704	0.9
149.04625	1.3
149.06110	1.9
150.03233	1.8
151.00380	2.5
151.03987	0.9
156.00671	45.8
156.77357	0.6
157.01421	3.5
160.01743	0.7
161.02480	1.5
161.04572	2.5
163.00389	1.0
165.01985	1.2
165.05612	2.2
167.03426	0.9
174.01714	100.0
175.02431	7.5
178.02754	2.5
178.99843	1.9
179.05598	0.8
188.13000	0.7
193.05101	9.1
195.06660	1.1
204.06731	1.7
205.05157	1.0
221.06502	0.7
223.55219	0.6
225.07474	0.7
226.02702	0.7
227.03459	1.1
231.13966	1.5
243.02975	6.3
244.03494	0.9
246.07654	0.9
254.02185	1.5
255.02975	18.5
256.03323	1.3
271.02469	35.0
272.02884	4.3
287.16568	5.3
299.02005	1.7
300.02765	77.1
301.03226	10.8
453.20178	0.7
471.22534	1.4
509.23929	1.8
511.21844	13.0
512.22205	1.7
535.22772	0.9
553.22882	1.6
571.24072	1.4
579.13611	74.6
580.13959	15.9
615.23456	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	615.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78829	1.3
50.89005	1.3
50.93806	1.2
53.53758	1.2
59.01380	8.6
61.98833	29.3
64.86924	1.2
71.01385	4.9
71.71708	1.6
85.02970	2.6
88.98828	1.6
89.02480	1.4
94.06620	1.3
95.03802	1.9
96.95944	1.3
101.02492	2.8
107.03795	3.6
109.06605	1.7
111.00886	1.4
113.02522	2.2
120.08218	32.9
122.06145	52.3
124.07734	2.9
125.02451	1.4
134.06142	2.4
135.04523	1.6
135.08218	3.7
136.26468	1.3
142.17598	1.2
144.04576	6.0
153.03873	1.2
160.04086	1.5
161.02443	1.9
161.04836	2.1
162.05644	2.9
163.11356	1.3
164.07207	3.8
171.10266	8.5
174.05617	4.5
188.03613	3.2
193.71063	1.3
200.07202	1.7
203.05901	7.4
204.06546	1.6
207.10307	6.9
213.87193	1.3
217.13509	1.5
222.08075	2.4
223.08824	3.2
225.11424	2.2
225.13974	1.8
236.09570	3.7
237.10329	4.3
238.11066	1.6
239.12047	2.4
241.13597	2.3
249.10332	2.0
249.13994	3.3
250.07469	1.4
250.11168	2.9
251.11902	39.2
252.12418	5.4
253.09586	2.6
262.07483	2.4
263.08432	7.4
263.11893	5.9
264.09097	7.3
264.12140	1.5
265.09839	2.7
265.13458	5.1
266.10513	2.8
268.08566	3.0
276.09088	5.3
277.09821	29.1
278.10474	9.8
279.11301	3.6
280.11954	2.0
282.10101	3.6
285.12546	1.9
290.10892	1.7
291.11404	30.6
292.12146	39.9
293.12885	26.7
294.09927	1.3
294.13364	3.1
295.10870	3.5
295.14297	1.4
296.11517	2.1
297.12552	3.5
306.10110	2.3
310.09799	1.7
319.10822	4.4
323.10583	1.6
324.11108	9.2
324.35907	1.3
325.11652	1.9
327.13553	5.5
335.10272	10.0
336.11160	9.3
337.11911	9.4
356.13605	1.9
360.17273	1.7
360.68802	1.2
369.15018	1.4
372.17056	3.3
373.17935	1.9
374.18817	10.9
375.19409	4.9
376.20474	1.9
386.14789	1.4
388.16763	1.6
400.16589	2.5
402.18314	2.1
405.17197	1.5
407.18518	2.1
414.18259	2.6
415.18964	3.0
416.19772	22.1
417.20300	5.8
420.19312	8.5
442.17828	1.6
443.18512	2.8
448.22739	3.1
460.18790	45.9
461.19513	25.2
461.30746	2.1
462.19949	3.6
480.21405	1.8
492.21402	100.0
493.21786	18.3
495.27585	2.3
497.25684	3.9
539.26569	29.1
540.26935	6.6
542.26251	1.8
565.24780	2.6
583.25684	67.5
584.25909	16.0
615.28601	36.7
615.40875	6.9
616.28571	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	613.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
58.00597	1.1
59.01379	8.3
59.55530	0.7
61.98836	2.3
63.14454	0.7
69.03455	1.0
69.72633	6.6
71.01398	3.7
72.99310	1.9
73.02940	0.7
78.02358	0.7
82.80427	1.1
83.01406	1.3
84.02155	0.9
85.02943	4.1
87.00883	100.0
88.01211	1.7
89.02451	2.8
93.03402	1.1
95.05037	3.0
96.96030	2.9
97.06596	4.8
98.02435	1.0
99.00900	0.8
99.08168	2.6
101.02457	2.2
107.05075	4.0
108.02158	1.4
109.06575	1.2
111.00893	1.8
111.08176	3.8
112.01673	1.4
119.05022	1.2
121.06644	1.7
123.04552	4.1
123.08201	1.4
123.68946	0.8
125.02472	1.2
125.06115	4.1
127.07661	14.3
129.01959	20.0
130.02394	0.8
137.02435	1.1
137.06110	2.3
139.07666	13.4
147.03006	27.8
147.06642	1.0
149.02426	0.9
149.06090	6.0
149.12776	0.7
151.07661	2.5
155.07166	41.4
156.07466	2.2
163.04024	1.1
164.24940	0.8
167.03485	2.5
167.07150	28.9
174.01625	0.8
179.03560	1.0
181.05112	1.2
181.08572	0.9
185.08186	1.5
193.05167	1.2
199.09676	0.9
209.04617	2.9
227.09245	11.5
245.10278	6.7
251.05618	2.6
281.06668	2.0
318.07053	0.9
323.13565	3.9
340.12646	0.9
342.95508	0.8
371.30493	0.9
373.09329	2.3
397.85321	0.9
403.10281	1.8
493.13412	2.3
569.20587	0.9
613.17505	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38590	0.3
51.52251	0.4
56.26583	0.3
59.01394	2.0
61.91989	0.3
61.98834	61.2
69.86346	2.5
71.01376	1.7
73.02953	0.5
85.02965	0.8
87.46590	0.4
95.01421	0.4
101.02479	0.9
105.03459	0.4
113.02442	0.5
117.03497	1.3
132.02234	1.0
133.02982	19.8
134.03471	0.6
135.04547	5.8
156.00958	0.4
161.02469	87.1
162.02823	4.9
179.03511	3.6
189.68185	0.3
223.06152	0.6
335.56125	0.4
551.24939	100.0
552.25262	21.5
552.34021	0.8
553.77795	0.7
565.33496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61726	0.8
56.80318	0.9
59.01381	3.5
61.98833	2.3
69.03504	0.9
70.48141	0.9
70.57646	3.9
71.01400	1.8
71.42798	0.8
71.46076	0.9
75.00860	1.1
81.03455	7.6
83.01383	7.8
85.02946	1.7
89.02470	1.2
93.03463	2.0
94.16263	0.9
95.01405	1.0
95.05029	4.0
97.02972	5.0
99.04529	2.9
101.02460	1.3
104.11172	1.0
107.01424	1.0
107.05009	1.8
109.02968	12.5
111.04547	2.2
113.02483	2.1
119.05029	1.6
121.02973	6.7
123.04544	16.4
124.04836	1.1
124.57990	0.9
125.02467	14.6
126.02765	1.5
133.06657	1.0
135.04543	16.2
137.02498	6.2
137.06100	5.1
139.04024	8.7
141.05621	1.6
147.04535	3.6
149.02472	1.0
149.06076	1.5
151.03998	4.6
153.05595	1.6
155.03458	1.0
161.06056	1.5
163.04010	3.3
163.07596	0.8
164.04770	1.3
165.01952	1.9
165.05566	6.7
167.03519	35.2
168.03833	1.6
175.04044	0.9
176.74391	1.0
177.02049	1.2
177.05605	2.7
179.03523	10.5
179.07184	1.5
180.04169	1.3
181.05093	2.7
189.05632	1.7
191.03539	2.5
191.74173	1.0
193.05051	3.8
194.05505	1.1
195.06598	1.3
197.04582	6.8
204.06773	1.5
205.05020	1.3
207.03064	1.0
207.06651	3.5
209.04561	43.2
209.06540	2.1
210.04942	3.8
213.18434	1.1
218.02199	1.0
219.03033	1.3
221.04536	7.6
222.05005	1.0
223.06216	1.3
233.04527	2.2
235.06157	1.8
239.05614	18.2
240.05911	0.9
245.08180	1.6
249.04160	1.1
251.05598	23.2
252.05893	2.0
263.05548	5.0
269.06720	2.9
275.05527	1.2
281.06714	10.4
289.07236	3.1
293.06665	2.8
305.01083	0.9
311.07709	2.1
316.93887	1.1
331.08215	8.5
343.08246	2.9
355.08234	1.6
361.09369	4.9
373.09299	100.0
374.09671	13.2
385.09143	2.8
391.58438	1.1
397.09314	1.2
403.10367	64.6
404.10712	8.9
415.10278	4.0
433.11407	19.6
434.11618	3.4
445.11057	1.4
457.11368	2.3
475.12421	11.3
476.12720	2.8
493.13574	28.7
494.13696	4.1
505.13684	7.2
509.60538	1.0
523.14777	4.8
595.16827	1.1
613.17743	12.0
614.18103	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	613.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
59.01384	6.3
61.98829	12.9
63.94421	1.0
65.47057	1.0
67.01918	1.2
69.03455	2.2
69.56750	6.4
69.57164	1.6
71.01392	6.5
71.69237	1.0
72.99329	1.1
73.02964	1.2
75.00880	1.2
81.03471	13.2
83.01384	16.7
85.02967	4.1
87.00887	1.6
89.02464	3.7
93.03473	6.7
95.01383	4.8
95.05045	11.0
97.02950	8.8
99.00864	1.1
99.04529	4.7
101.02488	2.7
105.03455	1.1
107.01433	1.3
107.05033	5.7
108.02190	2.1
109.02971	5.2
109.06622	2.9
111.00899	4.1
111.04548	5.1
113.02438	5.0
119.05064	11.2
119.38657	1.0
121.02962	11.3
121.06639	2.2
122.03807	1.6
123.00914	2.2
123.04537	30.8
124.04903	1.5
125.02459	25.8
125.06065	1.3
126.02789	1.1
133.02940	1.4
135.04549	9.2
136.30391	1.0
137.02454	12.9
137.06085	14.5
138.06419	1.1
139.04024	15.6
140.04410	1.0
141.05600	1.8
143.05075	1.5
145.02997	1.8
145.68750	1.1
147.04539	5.0
149.02477	2.9
149.06102	3.3
150.03323	1.2
151.00423	1.9
151.04005	9.5
153.05553	3.5
155.03516	2.1
159.02458	1.4
161.02448	4.2
161.06113	2.1
163.00423	1.3
163.04092	6.1
163.07637	1.5
163.43394	0.9
164.04710	3.2
165.01956	5.6
165.05585	11.2
166.02701	1.9
167.03519	63.7
168.00627	1.5
168.03888	3.0
169.05162	1.0
173.06145	1.1
175.03983	1.6
176.04720	1.0
177.01958	1.9
177.05595	4.0
179.03514	18.7
179.07072	1.6
180.04225	3.4
181.05077	7.5
187.04059	1.6
189.05576	4.2
191.03500	3.4
191.07076	1.1
193.01456	2.6
193.05061	14.2
194.05602	1.8
195.06575	1.2
197.04564	12.6
200.49376	1.0
203.03296	1.1
205.01431	3.1
205.05103	3.4
206.02048	1.3
207.02962	2.5
207.06636	3.0
209.04558	84.6
210.04892	5.5
219.02968	3.1
219.06560	1.7
220.03677	2.6
221.04568	26.4
222.05005	1.6
223.06142	5.0
227.05486	1.1
233.04556	3.4
235.02464	2.3
235.06047	6.1
239.05623	46.3
240.05980	3.2
247.06297	1.3
248.03195	2.2
249.03954	2.8
251.05595	100.0
252.05907	8.4
263.05594	10.8
264.05728	1.0
265.07220	3.3
265.63892	1.2
267.06671	1.0
269.06653	6.5
275.05579	1.5
279.05020	3.0
281.06671	85.9
282.06949	6.5
293.06522	7.5
305.06729	1.4
307.08493	1.3
311.07724	37.5
312.08121	3.7
313.07187	3.8
323.07816	4.0
331.08148	2.0
335.07788	2.3
343.08182	1.9
353.08862	6.9
354.09360	1.4
355.08194	11.0
356.08633	1.3
361.09088	2.2
365.08878	1.8
367.08578	1.0
371.09637	3.5
373.09290	77.1
374.09579	10.1
383.09830	7.8
385.09323	13.4
386.09833	1.5
401.11096	2.2
403.10345	79.1
404.10785	10.5
415.10342	6.9
433.11392	30.2
434.11703	3.4
452.15262	1.8
457.11536	1.6
473.12961	2.5
475.12347	15.4
476.12842	2.6
491.14252	1.5
493.13504	42.3
494.14047	7.6
505.13565	11.4
506.13989	2.0
523.14624	10.4
595.16797	5.6
596.17291	2.0
613.17798	27.9
614.18250	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	612.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01389	2.9
60.99300	0.6
61.16857	0.4
61.98833	100.0
68.49345	0.5
68.95631	0.5
71.01397	1.7
73.03000	0.6
84.56798	0.4
85.02957	0.9
88.98837	2.4
89.02463	1.2
99.01047	0.5
101.02464	1.3
106.14930	0.5
111.00901	0.5
113.02454	0.5
117.03487	0.9
119.03568	0.5
125.02474	1.0
132.02199	0.9
133.02977	22.1
134.03275	1.1
135.04536	6.0
137.02435	0.9
150.03259	0.7
151.00389	0.9
161.02463	91.3
162.02771	4.9
165.05614	0.8
177.05637	0.5
178.99722	0.4
179.03520	5.4
180.04036	0.5
188.01633	0.5
195.06657	0.7
202.35077	0.5
203.20940	0.5
300.02771	1.4
301.03278	2.4
302.03854	1.9
346.91476	0.4
447.09433	0.9
448.09195	1.7
549.23358	86.7
550.23718	17.5
612.14587	2.2
612.29340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92034	0.3
57.75233	0.3
59.01381	5.1
60.99318	0.4
61.98832	100.0
62.98544	0.3
69.42087	3.0
71.01379	2.2
72.99307	0.4
73.02940	0.5
75.00862	0.3
83.01408	0.5
83.98173	0.2
85.02965	1.1
85.56512	0.2
87.00884	0.3
88.98811	3.4
89.02463	1.4
98.19807	0.6
99.00867	0.2
101.02448	1.4
105.03484	0.5
109.02984	0.4
111.00880	0.5
113.02480	1.3
115.52335	0.3
117.03481	0.8
119.05035	0.6
119.79945	0.3
121.02976	0.5
122.06147	1.3
123.04543	0.4
123.35710	0.3
125.02486	0.9
129.01924	0.4
132.02199	0.7
133.02972	14.4
134.03767	0.6
135.04533	4.5
137.02426	0.6
145.02953	0.3
149.02502	0.4
149.24332	0.3
151.03979	0.3
153.01920	0.6
159.78070	0.3
161.02461	59.8
162.02805	3.0
163.04034	0.3
165.05576	0.4
167.03493	0.4
177.01930	2.2
177.05632	0.3
179.03488	3.2
211.12608	0.3
229.76155	0.3
236.81522	0.3
251.05794	0.3
251.11925	0.4
277.09818	0.4
281.06738	0.4
291.11197	0.3
339.07144	0.5
414.18256	0.4
450.25024	0.5
458.16891	0.4
490.19653	0.9
537.25354	0.4
549.23358	65.9
550.23694	12.1
581.24286	1.6
612.26715	0.5
613.26001	0.8
627.36328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.74714	0.4
57.03438	2.1
58.00593	1.7
59.01379	48.7
60.01715	0.6
61.04484	0.4
61.98831	4.3
65.00319	0.5
69.45105	4.0
71.01385	28.4
72.99303	2.2
73.02946	2.8
75.00868	0.6
81.03459	0.5
83.01396	2.7
85.02969	6.3
87.00880	1.4
89.02453	22.0
93.03493	0.5
93.60693	0.4
95.00870	0.4
95.01391	2.5
97.02953	1.2
98.20684	0.9
99.00903	1.0
101.02458	14.8
102.02738	0.5
107.01376	0.6
107.05003	0.5
109.02960	0.6
111.00882	0.6
113.02461	10.5
119.03519	7.5
119.05028	1.7
123.00914	0.6
123.04559	0.8
124.01654	0.5
125.02464	9.9
131.03531	0.5
135.04543	4.2
137.02444	1.4
143.03606	0.8
149.02423	1.0
151.00371	1.9
151.04050	0.7
152.01065	0.8
153.01962	0.7
153.05663	0.4
161.02460	1.3
161.04599	2.9
163.04094	1.1
164.04491	0.5
165.01933	0.8
165.05630	0.9
166.02661	0.4
167.03575	1.3
177.01918	0.6
178.99889	1.2
179.03465	1.1
179.05621	1.9
181.05115	1.4
193.01405	0.9
209.04593	0.6
223.06168	1.5
235.02498	1.8
239.05702	0.5
243.06590	0.7
259.06180	1.7
265.03433	1.1
268.03659	1.8
269.04340	2.2
281.59204	0.5
371.07761	3.9
389.21915	2.9
401.08759	3.8
421.11472	3.4
431.09842	2.3
449.10779	6.9
450.11194	0.8
473.10391	0.5
491.11957	3.9
492.11984	0.8
521.13330	0.6
551.27020	100.0
552.27325	15.8
611.16119	12.8
612.16119	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
58.00616	0.4
59.01096	0.5
59.01382	8.6
61.98833	100.0
62.98531	0.9
63.99267	0.6
66.66286	0.4
71.01389	6.3
71.71368	0.5
72.99313	1.2
73.02959	1.1
75.00877	1.3
83.01427	0.9
83.05048	0.4
85.02959	3.0
87.00883	1.0
88.98814	1.1
89.02462	3.7
89.03980	0.3
91.01903	1.0
93.03506	0.9
95.01407	0.7
99.00902	0.6
101.02460	4.5
107.05066	0.8
109.02967	1.0
111.00903	1.1
112.98817	0.4
113.02467	2.3
117.03487	0.6
119.01418	2.8
119.03539	0.8
119.05048	1.0
121.02947	2.7
122.03768	0.5
123.04517	0.7
125.02483	1.2
132.02158	0.8
133.02979	12.5
134.03651	1.9
135.04547	22.4
136.04898	6.0
137.02509	1.1
139.04057	0.5
145.02980	0.7
146.03452	0.5
147.00909	2.8
147.04539	1.0
149.02464	9.5
149.06108	3.2
150.03151	1.5
150.06447	1.2
151.00392	0.8
151.03992	1.1
152.01198	0.9
153.01959	0.9
159.04471	0.4
160.01697	0.4
161.02466	56.2
162.02805	7.7
163.02921	0.4
163.04044	2.6
164.04825	9.2
165.01926	1.3
165.05612	1.8
167.03484	0.6
173.00914	0.5
175.00383	14.6
175.04013	0.6
176.00945	0.9
177.01961	0.9
177.05566	6.6
178.05954	2.7
179.03522	28.2
179.07130	1.3
180.03862	11.7
187.07697	0.8
189.01973	0.5
190.02739	45.0
191.03229	3.7
192.03986	0.4
193.04930	0.5
203.03508	0.9
204.04083	0.4
205.05072	41.8
206.05605	4.4
207.02991	0.9
207.06567	0.5
208.03783	1.0
209.04555	1.3
221.04590	9.4
221.08154	2.9
222.04924	6.4
223.06157	13.4
224.06525	0.7
234.04723	0.4
237.07549	0.9
250.04782	0.7
251.05617	7.9
252.05933	5.3
255.03058	0.5
256.03409	0.5
265.07175	7.6
266.07407	0.4
271.02509	0.5
281.06659	11.8
282.06998	10.4
282.09967	0.7
283.07141	0.9
284.03268	0.4
285.04037	0.9
293.49637	0.4
295.08264	1.3
300.02716	0.7
301.03186	0.5
302.03214	0.8
303.04868	0.7
311.07748	0.8
323.07645	0.6
325.09317	1.4
341.08780	20.0
342.09140	23.9
343.09439	2.4
355.11865	0.5
382.90036	0.4
383.09772	0.4
440.99792	0.4
500.23013	0.5
504.18869	0.5
530.20978	1.0
548.22162	13.6
549.23346	36.3
551.27429	0.4
581.23486	0.4
596.25104	0.7
611.27246	74.8
612.27570	15.3
612.37421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06291	0.3
54.82241	0.4
56.24784	0.3
57.03428	0.3
59.01381	100.0
60.01720	1.0
61.98833	2.7
71.01373	1.7
72.99327	0.6
74.58726	0.4
83.01396	0.6
84.59822	0.3
85.02987	1.0
87.00932	0.7
88.98818	1.1
89.02463	1.1
98.19903	0.8
99.00908	0.5
101.02475	1.0
104.03523	0.6
113.02477	1.2
119.01372	0.4
121.02987	0.8
123.04556	0.8
125.02491	0.5
133.02975	0.4
134.03749	0.5
135.04634	0.4
137.02513	0.6
142.06664	2.0
147.04527	0.6
149.02464	2.6
150.03244	1.3
151.00458	0.6
157.01465	0.4
158.06209	0.5
159.06596	0.4
160.01677	1.2
161.02444	0.8
161.04550	0.6
163.04109	0.6
164.04832	1.5
165.01927	0.6
165.05560	1.7
167.03549	1.5
174.01761	0.6
175.00471	1.2
175.02634	0.5
175.04060	1.4
176.04472	0.5
177.01973	3.6
179.03569	1.0
181.05035	0.6
186.05621	0.8
190.02725	4.3
191.03468	1.5
192.04305	1.8
193.05020	0.7
194.05992	0.6
195.06654	1.1
204.06754	1.6
205.05086	3.5
206.05800	0.9
207.06599	0.5
208.03867	0.4
217.50887	0.4
221.06497	0.5
221.08388	0.4
223.06139	3.5
225.07747	0.5
237.07550	0.4
250.04866	0.4
255.03108	0.9
256.03473	0.4
265.07175	3.0
270.09027	0.8
271.02484	1.6
272.02942	1.0
278.05951	0.4
285.11530	0.7
295.08322	1.3
299.09250	0.8
300.02740	3.0
301.03226	2.1
302.00439	0.4
302.03317	2.4
303.04260	0.5
313.10959	0.4
314.07959	0.9
325.09207	1.8
326.07919	0.4
329.10532	2.3
337.07635	2.0
338.08099	1.8
341.10291	3.2
342.10846	0.9
344.12674	4.9
345.13193	0.5
356.12613	1.9
359.14993	18.3
360.15430	1.7
371.15009	11.4
372.15561	2.0
389.16092	0.5
413.14667	0.5
414.15225	0.7
415.15213	1.4
505.09915	1.8
547.28149	0.4
551.27545	0.5
593.19153	1.6
594.19562	0.4
611.14624	4.7
611.27118	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	611.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09574	0.3
56.71758	0.3
57.03423	0.3
59.01385	2.1
59.46947	0.2
60.99310	15.2
61.98828	3.9
71.01380	1.1
71.72338	0.5
72.99318	1.0
83.01404	0.5
85.02976	0.4
87.00893	0.8
88.00423	0.5
88.98817	100.0
89.02451	7.8
89.99149	1.3
90.02769	0.3
97.50703	0.3
101.02461	0.4
104.90216	0.3
107.01402	0.4
111.00880	0.4
113.02450	0.7
116.92832	0.3
119.05052	0.3
125.02467	2.3
133.02980	1.1
135.04535	0.8
147.04572	0.4
147.19841	0.3
150.03181	0.3
151.00398	0.7
152.01176	0.6
153.01950	0.3
161.02483	3.1
163.04015	0.3
165.05582	0.8
166.05907	0.4
173.05980	0.4
177.05649	0.4
179.03531	1.0
190.02707	0.7
193.04951	0.4
195.06665	0.3
205.05089	0.7
209.08174	0.5
215.07182	0.3
221.04599	0.4
241.04909	0.3
259.06122	2.2
269.04547	3.1
287.05655	1.2
300.02908	0.5
311.89560	0.3
323.07773	1.3
346.32019	0.3
352.85159	0.3
549.23224	0.5
611.14734	3.9
611.26569	1.4
612.14801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01379	3.8
61.98832	100.0
69.46239	2.2
69.46642	0.7
71.01392	3.3
77.01126	0.3
83.01423	0.4
83.05047	0.4
85.02963	1.2
89.02454	1.7
95.99603	0.3
101.02423	2.1
109.02986	0.7
111.00917	1.0
113.02459	0.9
119.03478	0.6
119.05059	0.4
121.03019	0.4
132.02208	0.5
133.02969	8.5
134.03737	1.1
135.04544	29.2
136.04860	1.5
137.02451	1.4
147.04680	0.4
148.05280	0.8
149.02489	1.4
149.06110	5.1
151.00439	0.4
153.01898	0.3
161.02460	37.8
162.02812	2.1
164.04768	0.8
165.05609	0.5
175.00342	1.4
175.03947	0.4
177.05588	12.8
178.02779	0.8
178.05956	0.8
179.03513	50.8
180.03871	3.2
189.05560	0.4
190.02721	5.1
191.03319	0.4
203.03607	1.7
205.05057	4.7
211.13368	0.4
221.04556	21.5
222.04887	2.0
223.06172	1.6
233.04666	0.7
251.05595	19.5
252.05931	1.7
265.07166	1.0
271.02304	0.4
281.06659	32.2
282.07010	3.0
285.04102	0.4
300.02701	0.4
301.03235	0.8
302.03635	0.3
323.07712	1.6
341.08777	65.3
342.09125	6.5
529.20660	1.1
547.21783	18.4
548.22223	4.7
610.14783	1.5
610.24731	0.5
611.17413	0.3
611.27203	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	610.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52625	0.6
61.98833	100.0
63.05373	0.6
142.70135	0.5
229.21504	0.8
230.46487	0.9
610.14905	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	611.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94333	0.6
59.01381	16.4
61.98836	4.3
65.00344	1.4
68.99847	1.0
69.03475	0.6
69.22160	0.7
70.52952	0.8
70.73573	2.6
71.01395	7.1
73.02973	2.1
79.01917	2.0
81.03451	3.5
83.01402	4.5
85.02988	3.8
87.00889	0.8
89.02486	1.8
92.68996	0.8
93.03500	1.2
95.01424	2.5
95.05061	1.7
97.02983	4.9
99.00922	1.5
101.02471	3.9
107.01402	11.4
107.05084	2.4
109.02963	8.2
111.00922	1.0
111.04561	1.6
113.02456	3.7
115.00414	1.6
119.05042	1.3
121.02966	4.7
123.00930	2.3
123.04565	4.6
125.02475	11.2
130.68948	0.7
131.03514	0.9
133.02985	1.7
134.03773	2.1
135.04547	93.7
135.41469	0.7
136.04865	4.7
137.02480	7.5
137.16507	0.7
139.04033	5.4
147.04576	2.2
149.02475	7.0
149.06093	0.8
150.03282	1.4
151.00417	5.5
151.04071	2.1
153.01910	0.8
153.05656	1.1
155.03590	2.4
159.04543	2.7
161.02464	5.9
161.04594	3.6
161.05840	0.8
163.00349	3.4
163.04039	4.6
165.01939	7.8
165.05638	1.4
166.02597	1.0
167.03534	13.7
173.02534	0.9
175.02597	1.0
175.04063	1.7
177.01967	4.7
178.02365	0.7
179.03528	4.7
181.01477	0.8
181.05147	0.9
191.03517	5.3
191.29659	0.9
192.00717	2.0
192.04076	0.8
193.01447	20.4
194.01762	1.2
197.04539	3.4
202.99901	0.8
203.03548	2.3
205.01448	8.5
206.02107	1.6
207.03046	5.5
207.06482	0.8
209.04567	9.3
219.03027	3.5
221.04634	2.3
222.01796	1.1
223.02512	7.8
233.00975	1.2
233.04649	2.2
235.02481	45.7
236.02882	3.3
237.04066	1.2
239.05573	7.6
247.02428	3.9
249.04077	3.3
251.05429	1.5
261.04074	2.7
265.03537	27.9
266.03925	1.4
269.06619	3.8
273.03995	0.9
275.05423	0.8
277.03519	2.8
279.05008	0.9
281.06653	1.4
283.06052	0.9
287.05762	0.7
291.05008	1.2
295.04605	7.0
329.06680	4.8
341.06512	1.8
348.79263	0.9
359.07611	2.9
371.07742	100.0
372.08078	10.9
383.07663	2.3
389.21912	4.5
401.08792	71.6
402.09140	9.5
413.08875	6.3
414.08972	1.0
431.09827	23.1
432.10156	3.8
437.09052	1.1
443.09683	2.9
455.09811	2.6
467.09988	0.9
473.10907	9.7
474.11282	1.1
485.10886	1.8
491.11960	54.2
492.12262	8.7
503.12067	6.2
504.12152	1.3
512.86377	0.7
515.12219	1.3
521.12946	10.3
522.13306	2.8
551.26984	15.5
552.27112	1.5
575.14410	1.5
593.15076	5.0
594.15448	1.8
611.16248	53.2
612.16888	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	610.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00595	0.4
59.01380	6.5
60.99318	2.7
61.98833	100.0
67.28001	0.4
69.44570	2.0
69.45010	1.8
71.01381	4.3
73.02972	1.0
75.00878	0.5
83.01394	0.6
83.05051	0.5
85.02971	1.3
87.00896	1.6
88.00450	0.5
88.98816	18.3
89.02462	2.7
93.03477	0.6
94.93407	0.3
99.00872	0.5
101.02448	1.9
107.01398	0.6
109.02993	1.0
111.00880	0.6
113.02482	1.7
121.02973	0.6
123.04627	0.4
125.02467	1.1
132.02214	0.5
133.02979	9.2
134.03726	1.5
135.04547	27.9
136.04860	1.7
137.02452	2.0
139.04022	0.5
147.04514	0.5
148.05338	0.9
149.02455	0.7
149.06116	5.1
150.03316	0.5
151.00401	0.9
161.02466	40.4
162.02823	2.2
164.04774	1.4
165.05629	1.1
175.00432	0.8
175.04071	0.8
177.01932	0.4
177.05592	13.0
177.07094	0.8
178.02664	0.7
178.05951	0.7
179.03516	43.4
180.03877	2.4
189.05603	0.7
190.02766	3.0
191.03293	0.8
203.03571	1.5
205.05058	3.4
206.05568	0.4
211.13429	0.8
212.13776	0.4
221.04561	20.9
222.04883	1.6
223.06094	1.2
233.04605	0.9
244.03473	0.4
251.05598	18.1
252.05998	1.5
255.02948	0.6
256.03360	1.0
265.07126	1.0
271.02371	1.7
272.02756	1.5
281.06668	29.5
282.06976	2.1
285.04041	0.9
300.02774	3.1
301.03159	3.2
302.03806	1.0
323.07739	2.0
341.08786	61.1
342.09088	7.0
418.80862	0.4
452.54062	0.4
463.08618	0.4
464.09485	0.6
506.34113	0.4
547.14752	1.5
547.21808	26.1
548.22021	5.3
610.14227	4.3
610.26044	1.1
611.14886	1.4
611.27417	4.7
617.65747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58939	0.5
59.01382	12.7
60.99323	2.6
61.98832	100.0
71.01379	6.5
71.72375	0.9
72.99299	1.0
73.02951	1.8
75.00872	1.2
76.11607	0.5
83.01403	1.1
83.05045	0.6
85.02958	2.2
87.00894	1.6
88.00416	0.8
88.98819	19.9
89.02468	4.3
93.03453	0.9
95.01402	1.0
99.00870	0.9
101.02460	4.1
109.02982	1.6
111.00903	0.8
113.02474	2.2
114.02823	0.5
119.03488	1.2
119.05093	1.0
121.02945	0.6
122.06183	0.5
125.02469	2.1
133.02960	10.8
134.03766	2.0
135.04544	38.4
136.04866	1.3
137.02498	2.4
139.04012	0.8
145.03021	0.9
147.04535	1.6
148.05304	0.9
149.02409	0.6
149.06104	6.7
150.03281	0.7
151.00412	2.5
153.01900	1.3
156.72356	0.5
160.17647	0.6
161.02467	42.0
162.02863	2.9
165.05598	1.8
175.04016	1.2
177.01930	0.7
177.05602	14.2
178.02782	1.0
178.05907	1.1
179.03522	56.8
180.03847	2.6
189.05684	0.6
191.74515	0.5
193.05104	0.8
203.03502	1.7
205.05165	1.1
207.06549	0.8
211.13460	3.4
212.13757	1.8
221.04572	24.3
222.04930	1.7
233.04512	0.7
235.08301	0.5
243.03017	0.6
244.03336	0.8
251.05602	22.2
252.06053	1.5
255.02956	2.3
256.03384	1.7
271.02515	3.5
272.02850	2.8
281.06683	34.9
282.07077	3.0
300.02750	7.2
301.03259	8.9
302.03894	3.3
323.07733	3.4
341.08783	74.9
342.09082	7.0
385.11188	0.8
397.13382	1.2
398.14124	1.1
415.14661	1.1
416.14966	0.8
442.90982	0.7
464.09229	3.3
505.33817	2.2
506.34106	2.7
529.20581	1.7
547.21783	24.9
548.21973	5.1
610.14246	10.4
611.14722	1.4
611.32123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2697
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
59.01394	3.2
61.98834	20.3
71.01391	2.4
71.71292	0.5
73.02927	0.6
75.00883	0.6
78.57319	0.5
78.95910	44.5
85.02979	0.9
89.02456	0.7
96.96980	9.1
101.02469	0.8
113.02460	1.1
145.02948	0.8
145.90584	0.5
151.00357	1.0
152.99609	53.0
153.99953	0.8
167.10719	0.6
171.00650	1.7
179.14433	1.0
195.13901	7.1
205.12407	0.6
205.34163	0.5
211.13506	2.4
220.77220	0.5
223.00139	5.8
223.13438	5.5
224.13574	0.6
241.01187	20.5
242.01556	0.7
243.03001	0.9
243.52676	0.7
255.03012	2.2
259.02209	1.5
271.02411	4.8
275.20074	2.8
293.21231	28.2
294.21426	2.2
300.02740	7.7
301.03470	3.2
315.04907	7.4
316.05316	0.6
333.05902	1.5
425.46164	0.5
447.23779	1.1
519.39282	0.6
609.15308	7.9
609.26923	100.0
610.15289	1.6
610.27295	16.5
610.36322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.9
59.01383	24.1
60.01715	0.4
61.98834	100.0
65.00333	0.3
69.03453	0.7
71.01388	6.5
71.71226	0.5
71.71594	0.3
72.99323	0.5
73.02956	1.6
80.28066	0.3
81.03466	2.6
83.01392	7.5
85.02956	2.4
87.00891	0.9
88.38355	0.3
88.98814	1.1
89.02451	3.2
93.03504	0.4
93.68506	0.3
95.01411	1.1
95.05033	0.5
97.02954	0.4
99.00898	0.9
99.04517	0.4
101.02469	3.7
101.91311	0.3
102.78490	0.3
111.00891	0.7
111.04516	0.5
113.02470	3.3
119.03507	0.9
119.05021	0.5
121.02970	0.4
123.04548	23.6
124.04848	0.5
125.02467	47.2
126.02783	1.6
131.03514	0.3
133.03009	0.7
135.04521	1.3
137.02460	0.5
143.03564	0.6
149.02428	1.0
151.00383	2.9
151.04012	0.6
153.02023	0.5
160.01657	0.4
161.02515	2.2
161.04581	2.2
162.03081	0.3
163.03958	0.4
165.05595	0.3
166.02739	3.6
167.03520	69.0
168.03835	3.2
173.06055	0.4
175.04016	0.9
175.07639	0.4
176.04820	1.6
179.03508	6.3
187.07735	0.4
191.03517	1.3
198.01614	0.4
204.06583	0.6
205.08728	1.9
211.08015	0.3
230.05698	0.4
231.10231	0.5
241.08694	1.1
255.02879	0.4
255.10202	0.6
256.03262	0.4
259.09735	1.5
271.02524	1.0
272.02817	1.1
288.06436	2.2
297.11392	1.3
299.12708	0.6
300.02762	1.9
301.03140	2.3
302.03613	0.4
323.12820	1.3
325.10931	0.4
341.13824	0.4
367.11877	2.4
368.12344	0.3
385.12943	96.8
386.13269	13.3
409.12863	0.7
505.33646	0.9
506.34274	0.6
547.18500	2.3
609.36212	0.5
610.14996	4.4
610.25134	0.8
611.15094	0.4
611.32086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1267
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
57.03447	11.4
59.01388	1.2
61.98820	1.4
65.03980	1.1
66.33860	0.6
69.03457	0.6
69.98902	2.5
69.99317	1.4
75.04449	0.6
81.03468	3.1
83.01396	3.8
84.42316	0.6
85.57561	0.6
93.03477	3.0
95.01406	1.3
95.05033	2.1
97.02968	1.9
107.05058	1.5
109.02966	12.6
111.04554	3.3
119.05086	1.2
121.02982	6.2
123.00928	3.7
123.03591	0.6
123.04545	1.9
124.01695	2.8
125.02467	100.0
126.02810	5.2
131.05077	0.9
132.10031	0.8
133.02986	2.6
135.04556	1.8
137.02473	27.8
138.03252	1.6
139.04039	13.0
139.05106	0.8
146.89253	0.6
147.04500	1.2
149.02451	7.0
149.06123	1.8
151.04050	5.1
159.04507	2.7
161.02458	3.1
161.06116	0.9
162.03151	0.9
163.04050	2.0
164.01175	4.4
165.01959	12.9
166.02658	1.5
167.03520	13.6
168.03737	1.0
172.05284	0.8
173.06142	1.1
174.03244	1.0
175.04025	8.9
176.01091	0.8
176.04456	0.8
177.01959	77.8
177.05415	3.8
178.02332	5.4
179.03539	9.8
180.04021	1.1
181.05038	1.6
187.04042	4.5
189.05562	0.7
189.07715	0.8
191.03540	1.9
191.07123	1.1
193.05083	1.5
199.03972	1.8
200.04935	0.7
201.05658	1.6
203.03497	2.4
204.04309	1.8
205.01405	1.5
210.03308	0.6
211.03993	2.2
213.05553	1.7
215.03459	2.2
217.05138	2.7
219.03026	1.2
219.06641	8.7
221.04608	4.7
227.03545	2.4
228.04248	1.3
229.05119	4.7
231.06520	0.7
243.03009	8.6
243.05396	0.8
243.06639	1.0
244.03267	1.0
245.04530	1.2
255.02994	20.2
255.05678	1.0
256.03656	6.4
257.04498	2.9
259.06027	0.7
261.03986	3.9
261.07791	1.7
263.05643	0.8
269.04556	3.2
273.03983	5.0
282.01666	1.6
283.02451	12.6
284.02826	1.7
285.03928	3.8
287.05725	0.7
288.02780	1.3
297.04062	7.8
298.04541	1.5
303.05121	7.9
304.05432	1.3
305.06671	68.6
305.34830	0.8
306.07053	6.1
315.05099	1.9
355.08209	3.4
397.09161	1.9
423.07230	92.6
424.07535	13.5
439.09631	0.7
441.08264	25.5
442.08655	4.4
483.09396	7.2
591.11993	1.5
609.12787	10.9
610.12848	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	609.1475
Annotation	Rutine
Peak:m/z	Relative Intensity
50.25127	0.3
54.26802	0.4
61.79980	0.4
63.02380	0.5
65.00336	1.1
71.31026	0.7
74.97927	0.4
83.77734	0.4
85.33960	0.4
97.10475	0.3
103.64114	0.3
107.01409	2.6
108.02176	0.9
109.02955	1.0
121.03002	1.9
135.00876	1.0
148.01657	1.0
149.02428	0.5
151.00401	10.6
152.00853	0.4
152.03169	0.4
163.00407	2.0
164.01105	0.7
169.01505	0.5
171.17683	0.4
178.99908	5.6
187.04112	0.4
193.72356	0.4
199.03954	0.5
203.03732	0.4
211.03964	0.9
215.03435	0.9
226.02734	1.5
227.03529	2.5
229.05066	1.0
243.02968	9.4
244.03494	0.7
245.04538	1.0
254.02098	1.9
255.02985	23.5
256.03403	2.1
271.02469	49.2
272.02896	6.0
273.04013	1.1
283.02448	1.0
299.02087	1.0
300.02762	89.4
301.03461	35.2
302.03940	2.4
344.15582	0.4
437.20953	0.4
609.14771	100.0
610.15112	15.2
610.25098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62509	0.1
59.01383	0.5
61.98833	100.0
62.98547	0.2
70.21522	0.1
71.01391	0.4
71.28409	0.2
71.28745	0.2
74.31262	0.1
85.02984	0.1
88.98806	0.1
89.02467	0.2
100.89068	0.1
113.02450	0.2
127.84018	0.1
151.00365	0.2
177.86989	0.1
211.13454	0.2
243.02942	0.2
244.15327	0.1
255.02946	0.5
271.02454	1.0
287.26776	0.1
300.02771	1.7
301.03680	0.3
318.55624	0.1
330.38724	0.1
404.86176	0.1
435.96179	0.1
448.96991	0.1
608.27686	0.2
608.37115	0.1
609.14764	1.8
609.27826	0.2
609.36865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.84232	0.1
61.98834	100.0
62.98552	0.2
71.01397	0.2
71.08578	0.2
71.08929	0.1
80.96541	0.2
85.02990	0.2
88.98850	0.1
89.02461	0.1
94.48579	0.1
101.02458	0.1
108.41508	0.1
108.93562	0.1
113.02490	0.1
151.00354	0.1
161.02548	0.1
175.02505	0.1
175.31299	0.1
203.95827	0.1
225.00455	0.1
243.02931	0.1
255.02959	0.2
271.02451	0.7
300.02808	1.0
301.03723	0.2
548.30023	0.1
609.15155	1.1
609.26575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19523	1.3
55.01866	1.5
57.03450	4.5
59.01381	100.0
60.99304	1.6
61.98832	44.6
69.03461	2.8
69.69209	12.1
71.01386	44.5
72.99320	4.1
73.02951	8.9
74.99155	1.9
75.00896	3.3
83.01386	7.8
85.02969	18.9
86.00117	1.7
87.00889	7.2
88.98801	12.4
89.02449	15.5
95.01387	7.7
96.96037	1.6
97.02962	3.3
99.00903	5.1
99.04581	2.9
101.02448	22.6
108.02198	2.8
111.00887	6.7
113.02475	22.5
116.92890	5.3
117.03474	2.1
118.98079	2.0
119.03536	6.7
119.05061	3.5
121.02966	2.2
123.04453	1.6
125.02464	6.4
131.03499	2.0
132.02222	9.0
133.02980	6.7
134.03769	20.9
135.04515	3.3
137.02448	1.8
143.03600	2.5
145.02986	3.3
147.04524	2.0
149.06105	2.9
151.00363	4.2
151.19914	1.3
153.02107	1.9
154.47781	1.5
155.10861	2.0
157.12407	1.4
160.00423	2.7
160.01680	37.3
161.02498	14.4
161.04588	5.3
161.05931	1.7
162.03026	2.4
163.03973	2.5
165.05574	4.5
167.03574	2.1
175.04025	38.7
176.04440	3.0
177.01945	2.1
177.05582	1.8
178.02556	1.7
178.99840	2.3
179.03468	2.5
179.05687	2.1
180.04060	1.9
187.07607	2.1
191.03531	2.0
193.05052	20.7
195.06644	2.6
201.02031	2.7
201.14977	2.1
204.06709	3.8
205.05016	2.3
209.11987	1.6
215.07126	2.2
219.14059	1.7
235.06082	4.4
241.01451	3.0
245.00977	1.7
270.01767	2.4
271.02530	7.2
299.02084	8.7
300.02774	3.3
323.88443	1.8
341.13913	1.7
350.31042	1.6
351.04938	3.0
353.10089	2.5
359.28070	9.5
383.07681	2.2
383.14926	2.1
395.07776	2.9
413.21951	3.1
413.39334	1.7
427.10400	15.3
429.12918	2.1
431.22751	2.1
445.12247	1.8
445.24420	5.8
499.14551	3.7
503.32245	90.2
504.32477	15.9
505.26740	2.1
521.33209	31.9
522.33527	4.3
547.39240	1.6
563.34064	11.2
575.13586	3.5
607.20746	26.8
607.27673	1.8
607.34808	6.1
608.20416	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	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19523	1.3
55.01866	1.5
57.03450	4.5
59.01381	100.0
60.99304	1.6
61.98832	44.6
69.03461	2.8
69.69209	12.1
71.01386	44.5
72.99320	4.1
73.02951	8.9
74.99155	1.9
75.00896	3.3
83.01386	7.8
85.02969	18.9
86.00117	1.7
87.00889	7.2
88.98801	12.4
89.02449	15.5
95.01387	7.7
96.96037	1.6
97.02962	3.3
99.00903	5.1
99.04581	2.9
101.02448	22.6
108.02198	2.8
111.00887	6.7
113.02475	22.5
116.92890	5.3
117.03474	2.1
118.98079	2.0
119.03536	6.7
119.05061	3.5
121.02966	2.2
123.04453	1.6
125.02464	6.4
131.03499	2.0
132.02222	9.0
133.02980	6.7
134.03769	20.9
135.04515	3.3
137.02448	1.8
143.03600	2.5
145.02986	3.3
147.04524	2.0
149.06105	2.9
151.00363	4.2
151.19914	1.3
153.02107	1.9
154.47781	1.5
155.10861	2.0
157.12407	1.4
160.00423	2.7
160.01680	37.3
161.02498	14.4
161.04588	5.3
161.05931	1.7
162.03026	2.4
163.03973	2.5
165.05574	4.5
167.03574	2.1
175.04025	38.7
176.04440	3.0
177.01945	2.1
177.05582	1.8
178.02556	1.7
178.99840	2.3
179.03468	2.5
179.05687	2.1
180.04060	1.9
187.07607	2.1
191.03531	2.0
193.05052	20.7
195.06644	2.6
201.02031	2.7
201.14977	2.1
204.06709	3.8
205.05016	2.3
209.11987	1.6
215.07126	2.2
219.14059	1.7
235.06082	4.4
241.01451	3.0
245.00977	1.7
270.01767	2.4
271.02530	7.2
299.02084	8.7
300.02774	3.3
323.88443	1.8
341.13913	1.7
350.31042	1.6
351.04938	3.0
353.10089	2.5
359.28070	9.5
383.07681	2.2
383.14926	2.1
395.07776	2.9
413.21951	3.1
413.39334	1.7
427.10400	15.3
429.12918	2.1
431.22751	2.1
445.12247	1.8
445.24420	5.8
499.14551	3.7
503.32245	90.2
504.32477	15.9
505.26740	2.1
521.33209	31.9
522.33527	4.3
547.39240	1.6
563.34064	11.2
575.13586	3.5
607.20746	26.8
607.27673	1.8
607.34808	6.1
608.20416	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	607.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.5
60.25610	0.8
61.70008	0.9
61.98833	6.3
65.72250	1.1
70.48057	4.0
71.01397	5.8
72.99313	5.8
73.02940	1.3
83.01403	1.6
85.02969	1.8
87.00876	1.4
87.56383	0.9
88.98807	2.1
89.02444	2.6
89.38808	0.8
93.03471	1.0
95.01410	1.1
101.02453	3.7
111.00906	2.2
113.02450	1.9
115.00396	1.7
116.89729	0.9
119.03515	1.5
119.05045	7.1
125.02483	1.2
133.02936	2.3
135.04497	1.6
137.02448	1.1
143.04597	1.1
147.04544	100.0
148.04880	5.1
149.02425	0.9
149.04576	1.8
151.00407	1.4
161.02458	10.5
161.04588	2.8
163.04018	1.1
164.07166	4.1
165.05586	84.7
166.05927	5.2
179.03539	1.1
179.05629	1.5
206.08235	6.2
207.06647	58.0
208.07011	4.9
209.11861	2.2
227.19128	1.1
262.50690	1.0
281.06189	1.0
341.03018	3.0
355.10205	6.9
413.13538	1.6
479.27533	1.0
528.49194	1.2
547.24097	1.2
607.20984	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	607.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.1
59.01382	100.0
60.69770	1.9
61.98832	23.5
62.65934	1.9
71.01388	44.9
71.71664	3.8
72.97494	2.5
72.99303	4.5
73.02957	50.8
75.00877	5.7
79.95770	2.1
83.01395	15.5
85.02963	10.6
87.00893	2.6
88.98802	5.8
89.02467	10.7
95.01416	3.4
96.96023	88.6
99.00887	3.9
101.02459	43.0
111.00883	3.2
113.02451	21.1
119.03507	3.7
119.05061	2.9
121.02956	5.1
125.02468	4.1
131.03542	4.6
133.02989	3.9
135.04541	4.5
137.02402	4.2
143.03484	4.7
145.02971	5.0
145.08699	5.6
147.06638	7.7
149.04634	3.8
149.06012	3.4
150.03239	3.4
151.00392	3.4
152.01213	2.2
158.03790	2.1
159.04558	2.8
160.05269	2.5
161.02469	10.6
161.04543	9.6
163.03992	2.8
165.04044	7.8
175.02510	2.5
175.03938	4.3
179.03423	3.3
183.28749	2.1
187.07661	2.9
193.05202	2.4
224.04735	2.7
239.10738	2.8
241.01328	2.5
255.10114	4.5
263.13150	2.3
266.05789	4.6
269.04456	2.8
271.02350	4.6
271.04996	2.4
281.08167	5.8
283.09778	25.2
294.08923	4.1
295.09644	6.3
296.10471	3.6
298.12009	4.4
299.01825	2.3
300.02707	5.7
310.08429	2.4
310.12082	3.2
311.09280	61.7
311.12564	2.4
312.09567	5.7
314.11636	2.7
325.10815	9.2
326.11618	36.4
327.11978	3.4
329.05356	2.4
329.13928	17.3
330.13837	2.8
340.30688	2.2
341.13959	73.4
342.14212	8.5
356.12585	3.9
359.15302	2.5
371.15079	12.4
383.15134	5.9
458.15582	2.9
470.16034	2.3
473.18021	7.3
485.18085	9.3
491.19382	5.0
503.19168	7.3
509.23828	2.7
533.20093	14.7
534.21265	2.0
545.20050	10.3
607.14722	11.1
607.25055	4.4
608.16058	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	605.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63895	0.6
55.01881	1.3
57.03447	1.8
59.01379	13.6
61.98832	100.0
71.01389	21.5
72.99326	1.1
73.02943	4.9
75.00881	0.7
83.01402	3.1
85.02965	10.0
87.00891	1.2
87.20268	0.6
88.98836	0.8
89.02461	6.3
95.01417	2.3
96.93701	0.6
97.02964	1.2
98.20675	1.0
99.00900	2.5
101.02461	15.2
101.03094	1.2
109.64637	0.6
111.08176	2.0
113.02464	9.0
115.92012	0.7
119.03618	0.7
145.33815	0.7
159.03009	1.4
161.02457	0.7
161.04559	6.9
163.38882	0.6
169.12366	1.1
187.56886	0.6
197.11850	10.6
199.13518	0.7
199.47633	0.6
211.13435	1.9
230.03421	0.8
253.09251	7.6
291.19724	2.9
301.03503	0.7
309.20703	14.8
310.21167	1.4
383.24271	3.5
545.29614	62.6
546.29962	11.6
605.34772	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	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98832	100.0
62.98536	0.1
67.32690	0.1
71.01392	0.4
71.70840	0.1
71.71273	0.2
81.39561	0.1
88.98820	0.2
97.15734	0.1
113.02499	0.2
606.34393	0.3
607.25085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
59.01385	1.7
61.98832	100.0
62.98535	0.3
69.52332	1.0
69.52747	0.3
71.01395	1.5
73.02957	0.3
75.00893	0.1
83.01422	0.3
85.02981	0.5
88.98814	0.2
89.02435	0.7
93.58059	0.1
95.01447	0.2
99.00925	0.3
101.02464	0.8
106.57965	0.1
113.02486	0.5
119.03486	0.2
125.02539	0.1
147.04639	0.3
161.04620	0.5
161.79015	0.1
163.04099	0.1
165.05598	0.7
166.05995	0.3
175.04095	0.1
209.11842	0.2
222.23907	0.1
241.01413	0.2
254.24493	0.1
254.82211	0.1
270.02057	0.2
286.68533	0.2
291.19516	0.2
315.50394	0.2
381.35339	0.2
437.65042	0.1
546.29681	0.9
606.39954	0.7
606.49384	0.2
607.13910	0.2
607.25909	0.3
607.36322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
60.22983	0.1
61.98833	100.0
62.98531	0.2
67.71458	0.1
71.01397	0.4
71.08965	0.1
71.09280	0.3
78.95917	0.2
79.95743	0.2
80.96529	0.3
85.02992	0.2
89.02473	0.2
89.75056	0.1
94.98090	0.1
95.01413	0.2
101.02460	0.2
109.03165	0.1
125.02478	0.2
149.90836	0.1
152.99617	0.4
209.11790	0.2
237.87340	0.1
291.19867	0.4
606.34271	0.2
607.15674	0.2
607.25055	1.1
607.34265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45733	0.3
53.47129	0.3
57.03455	1.9
58.72441	0.4
59.01382	1.6
63.02391	0.6
65.00330	1.2
71.01379	0.7
83.01398	1.1
83.04986	0.4
89.02461	0.7
98.20765	0.5
101.02438	1.1
107.01414	3.6
108.02190	1.3
109.02962	1.3
111.00887	0.8
121.02946	1.8
121.66519	0.3
125.02460	0.8
135.00905	0.4
146.36859	0.4
148.01733	1.0
149.02512	1.0
151.00392	13.8
155.29845	0.3
161.02414	0.9
161.04573	0.4
163.00410	2.7
163.03996	0.5
164.01186	0.5
169.01488	0.9
175.04082	0.4
178.99895	5.9
183.04527	0.5
187.04044	0.7
192.00699	0.5
195.36255	0.3
201.01936	0.4
201.05630	0.8
209.11836	2.6
211.04018	0.8
214.02556	0.4
215.03670	0.4
216.04285	0.6
226.02698	1.2
227.03476	3.0
228.04193	0.4
229.05008	0.9
230.81581	0.4
231.03047	0.4
239.03555	0.4
241.01456	0.8
243.02974	8.3
244.03505	0.6
245.04564	0.8
254.02257	1.8
255.02974	26.1
256.03333	2.4
257.04105	0.6
270.01608	0.6
271.02466	49.2
272.02914	5.5
273.03891	0.9
283.02512	1.7
299.02078	2.0
300.02753	100.0
301.03470	47.0
302.03885	3.0
329.13806	0.4
346.43817	0.4
397.13510	1.4
415.14746	0.5
445.07709	0.5
463.08804	54.4
464.09119	7.2
505.09848	41.1
506.10226	6.2
545.12988	11.5
546.13196	2.0
547.10907	0.6
607.13007	24.6
608.13391	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	605.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95617	0.4
59.01379	35.6
60.01698	0.6
61.98826	1.8
67.01899	0.5
69.82578	0.9
69.82977	2.5
71.01373	1.9
72.99353	0.5
83.01375	0.6
85.02953	1.8
85.06599	11.1
89.02462	1.1
96.96032	2.2
98.20569	0.8
101.02454	1.0
111.00900	7.3
112.01181	0.4
113.02476	0.8
113.06107	12.8
119.03481	0.5
120.01329	0.5
129.01959	0.8
131.07162	100.0
132.07516	3.0
133.03012	0.5
137.02495	0.6
147.04573	1.9
147.06667	1.1
154.99854	0.7
160.01688	0.6
160.03951	0.5
161.02472	1.1
165.05605	2.3
167.03595	0.8
173.08211	54.9
174.08549	3.2
175.04054	0.8
179.03549	0.4
183.67874	0.4
191.03481	0.5
195.06668	0.9
515.15222	0.5
605.20923	1.0
618.94000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.6
60.99310	17.6
61.98836	2.8
63.20360	0.6
69.39208	2.6
69.39632	5.7
69.79376	0.7
71.01399	1.1
74.10578	0.7
80.14111	0.7
83.92889	0.8
87.00891	2.2
88.00417	5.6
88.01203	0.8
88.98819	100.0
89.02457	42.9
89.99158	1.0
96.95989	0.8
145.91348	0.6
234.42136	0.7
279.23630	0.9
362.92737	0.8
472.87943	0.8
483.31161	2.5
485.32578	2.6
603.34613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49289	0.3
61.98831	1.1
67.83477	0.3
70.20811	0.3
70.21120	1.7
86.99447	0.2
91.64083	0.3
106.06660	0.3
119.05017	0.4
143.71530	0.3
145.02963	1.0
162.05653	0.4
208.98404	0.3
366.62781	0.3
394.11841	0.3
415.15259	0.6
416.16882	0.4
428.16385	0.4
429.17160	0.6
430.17874	1.2
431.18613	0.5
443.18616	1.1
444.18756	0.5
453.16827	0.3
455.18826	0.4
457.20758	1.5
458.20959	0.5
459.17810	2.7
460.18243	0.6
461.23376	0.4
467.18555	0.4
470.20908	0.9
471.18079	1.0
472.18616	0.8
473.19601	4.6
474.20297	1.1
475.21667	0.5
485.19724	1.6
485.23828	1.4
486.20764	3.5
487.21466	2.0
496.19110	1.2
497.19455	0.6
499.17725	2.3
500.17599	0.5
501.23920	2.3
502.23016	0.5
503.20645	0.3
511.21277	2.5
512.21802	0.5
513.19336	2.6
514.12329	0.5
514.20044	9.7
515.20380	1.7
517.19269	0.5
518.19635	1.5
528.21552	0.5
529.22406	100.0
530.22736	22.9
530.34540	0.4
532.20856	1.8
533.21533	2.1
534.22076	0.3
546.22333	0.6
561.25006	0.9
573.21631	2.0
605.24042	1.2
605.38379	1.0
606.24390	0.5
606.38660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12518	0.7
55.84317	0.6
59.59592	0.6
61.98833	100.0
70.40090	2.6
90.83273	0.6
122.07108	0.6
197.39043	0.7
239.84140	0.6
374.32758	0.6
380.30280	0.7
394.83130	0.6
410.51172	0.6
431.12015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96458	0.9
61.98825	2.6
63.90527	0.9
69.53876	8.4
73.02946	4.9
97.37584	0.9
99.00865	1.5
99.92596	11.1
116.92877	100.0
117.01973	9.1
117.92892	7.3
169.95480	0.9
273.67221	0.9
360.27963	0.8
397.87131	0.9
423.32462	1.4
485.32651	8.7
486.33572	0.9
595.25580	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27977	1.8
55.33341	2.1
59.01369	4.4
60.99316	15.8
61.98835	15.7
71.04556	4.8
78.95921	2.9
88.00409	3.5
88.98822	100.0
89.02463	32.2
125.09822	2.0
143.58696	2.0
152.99565	3.5
171.10231	2.5
234.70746	2.3
290.93448	2.3
471.34860	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	602.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98836	100.0
62.98534	0.1
69.82420	0.3
69.82825	0.7
70.19913	0.1
71.01393	1.3
73.02963	0.2
75.00896	0.2
78.03435	0.1
78.27032	0.1
83.01418	0.2
85.02975	0.6
87.00926	0.1
87.23516	0.1
88.98811	0.2
89.02466	0.7
95.01376	0.2
101.02481	0.6
111.00922	0.3
113.02485	0.6
118.61074	0.1
119.03547	0.1
123.04469	0.1
125.02518	0.3
135.03021	0.6
135.04614	0.2
143.03516	0.1
143.04689	0.1
152.25215	0.1
161.02518	0.5
161.04610	0.2
167.03555	0.1
175.04068	0.2
182.22142	0.1
240.50504	0.1
401.18570	0.1
602.26788	0.2
602.36395	0.2
603.23590	0.2
603.32788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.3
72.99287	0.4
83.05003	0.5
91.95124	0.4
96.96034	2.0
98.95610	1.9
99.92597	20.9
100.92672	0.7
100.93371	2.0
115.92094	45.8
116.92145	2.5
116.92874	42.0
117.92903	2.1
185.92715	0.6
221.57805	0.4
237.02356	0.4
287.20233	0.4
300.09033	0.4
323.86972	0.4
423.29050	2.6
425.30643	1.1
437.30756	0.6
483.30725	0.5
484.15628	0.6
501.32507	3.0
503.32956	0.7
523.21539	0.7
539.24701	11.9
540.25012	2.9
553.22742	2.6
554.22729	1.3
555.21924	0.6
565.22412	0.8
567.20905	1.9
568.20856	0.5
571.23657	1.6
583.23907	6.9
584.23596	1.8
601.24774	100.0
602.25061	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00586	2.0
59.01086	1.1
59.01384	22.8
60.01720	0.5
60.02818	0.5
61.98833	12.0
64.79084	0.5
71.01386	17.8
71.42591	1.0
72.99310	1.8
73.02953	1.8
74.27425	0.5
83.01390	1.4
85.02961	4.6
87.00889	4.0
88.98816	1.6
89.02459	13.9
93.03472	2.4
95.01406	1.5
96.96037	0.9
97.02956	0.6
99.00908	1.2
101.01865	1.0
101.02468	11.6
106.86859	0.6
107.05032	0.8
108.02192	0.7
109.02983	0.8
111.00899	0.8
113.02451	7.2
119.03525	8.2
119.05009	0.5
121.02978	4.5
122.03769	6.8
123.04533	1.2
123.38867	0.5
124.01651	1.1
125.02450	1.2
131.03496	0.8
133.02969	2.2
135.04622	0.8
136.01668	1.2
137.02444	3.0
137.06108	0.5
143.03516	1.4
147.04541	0.6
148.01689	0.6
148.94531	0.6
149.01256	1.1
149.02469	21.1
149.04390	0.8
150.03252	59.3
151.04050	10.1
152.04779	0.5
153.05537	0.6
161.02451	1.7
161.04579	4.5
162.03233	0.5
163.04033	3.2
164.01195	1.4
164.04828	4.6
165.01955	20.9
165.05592	53.1
166.02437	1.4
166.05902	3.1
167.07082	0.9
176.01163	7.2
177.01979	7.2
178.02586	1.0
179.03520	21.2
179.05655	3.7
179.07060	0.7
180.04306	32.4
181.04866	2.7
192.04355	3.8
193.05000	1.2
194.02217	9.5
194.05865	9.4
195.03038	3.4
195.06644	100.0
196.06993	6.9
200.07365	0.6
202.08714	0.9
207.06644	4.2
209.04602	0.5
210.05399	3.0
220.09743	0.9
225.07692	25.6
226.08002	1.4
237.07796	0.7
243.08739	1.0
246.07710	1.5
301.07245	1.8
301.10657	0.7
308.07056	0.5
309.06268	3.2
315.08871	0.6
316.09689	2.8
325.07153	0.6
327.07233	9.8
331.11880	9.8
332.12271	1.2
343.11890	0.9
349.12772	1.1
355.12009	2.3
357.11920	19.8
358.12149	1.9
369.11835	0.9
370.03131	0.5
373.12830	2.6
379.14084	2.0
387.12784	0.8
391.13986	20.0
392.14203	3.3
421.15024	1.1
422.10779	1.1
439.16092	6.4
440.16422	0.9
469.12381	1.6
553.19183	22.5
554.19885	4.5
601.21442	26.8
602.16919	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	601.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24069	1.1
55.69469	1.1
56.14802	1.1
59.01382	74.1
61.98834	25.5
70.48002	4.8
71.01388	4.7
85.02949	1.8
87.00879	1.2
88.98811	2.1
89.02467	3.8
93.03497	2.1
93.22141	1.1
99.40056	1.2
101.02460	4.7
113.02473	3.4
119.05020	1.3
121.02995	4.3
122.03741	7.9
123.04549	2.6
123.05418	1.3
125.02497	1.5
133.03011	2.4
135.04555	8.9
136.01695	1.7
137.06096	2.8
138.03255	1.2
138.83885	1.0
147.04587	1.6
149.02475	40.9
150.03261	66.6
151.03705	2.7
153.01967	2.4
153.05579	2.6
161.02483	3.5
161.04672	1.5
162.40239	1.1
163.04054	2.0
164.04811	11.6
165.01964	4.4
165.05600	100.0
166.05939	5.0
167.07146	1.8
168.04297	4.3
169.05110	1.6
179.03528	12.0
180.04303	11.3
183.06654	15.3
195.06657	99.4
196.07016	5.2
206.08228	2.1
225.07730	4.7
261.65372	1.1
316.09534	13.5
331.11874	67.8
332.12170	6.9
357.11899	4.1
379.13995	71.9
380.14310	7.3
389.31720	1.1
391.13904	1.8
394.64432	1.1
538.17157	1.8
553.19171	3.6
554.19971	1.6
557.17548	1.1
601.18359	3.9
601.29413	1.8
617.02026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
57.03426	1.1
58.00589	2.5
59.01381	25.8
61.98832	13.1
62.56813	0.6
69.48289	4.5
69.48714	1.7
71.01387	19.1
72.99311	1.7
73.02946	2.3
82.02988	0.8
83.01384	1.0
85.02970	5.3
87.00883	3.8
88.98813	1.3
89.02448	15.7
93.03467	2.4
95.01414	1.7
99.00912	1.1
100.66995	0.7
101.02449	11.6
109.02948	1.0
111.00911	1.2
113.02473	7.7
119.03530	8.6
121.02975	3.2
122.03769	8.6
125.02482	2.0
129.01981	0.6
133.02965	1.6
135.04524	0.8
136.01689	2.1
137.02423	3.1
137.06102	1.0
139.03960	0.7
143.03520	2.4
149.02470	19.4
150.03249	61.4
151.00363	0.9
151.04054	8.4
161.02444	1.9
161.04585	4.3
161.05849	0.8
163.04024	2.5
164.01245	1.7
164.04826	4.2
165.01965	22.4
165.05597	55.0
166.02635	1.0
166.05952	2.3
167.07143	0.9
176.01167	6.4
176.24321	0.6
177.01965	8.4
179.03525	23.0
179.05603	2.9
179.07060	1.5
180.04308	30.4
181.04851	2.4
192.04314	4.4
192.99779	0.8
193.04947	1.8
194.02232	6.9
194.03958	0.8
194.04292	0.9
194.05870	9.2
195.02950	2.7
195.06647	100.0
196.07016	5.1
205.05083	0.7
207.06592	3.5
209.04576	0.7
210.05357	2.9
211.05743	0.9
225.07700	22.3
226.08040	2.0
243.08656	0.9
246.07883	0.9
277.11633	0.7
296.07037	1.0
301.07324	1.6
304.95590	0.7
309.06125	3.7
316.09491	2.1
325.06967	0.8
327.07175	7.9
331.11832	9.0
332.12274	0.9
343.11923	0.9
355.11902	1.8
357.11914	20.0
358.12283	1.8
369.11942	0.9
373.12973	2.8
379.13956	1.9
387.13019	1.4
391.13995	20.0
392.14410	2.0
439.15927	5.7
440.16388	1.5
454.09692	1.0
469.12390	1.0
553.19196	22.8
554.19708	5.5
601.21423	28.4
602.16766	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	600.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13054	0.6
58.68921	0.5
59.01378	7.3
61.98832	100.0
66.36764	0.5
71.01385	4.7
71.72188	0.7
72.99296	0.7
73.02952	0.7
75.00872	0.7
78.95938	0.6
83.01369	0.8
85.03002	1.5
88.98807	0.7
89.00448	0.7
89.02459	2.3
94.74608	0.7
95.01421	0.8
96.96024	5.3
96.96964	0.9
101.02451	3.1
101.06378	0.5
103.51328	0.6
105.03497	0.6
108.02262	0.6
109.03015	1.0
113.02485	1.7
116.92921	0.7
117.03498	2.2
119.03487	1.1
123.04515	0.8
125.02490	1.8
132.02170	1.5
133.02974	26.3
134.03668	2.1
135.04544	18.0
136.04851	1.3
136.54382	0.6
137.02441	1.3
139.04036	0.8
145.02931	4.5
146.03708	1.2
147.04549	1.7
149.02449	1.9
149.06143	3.1
151.00414	1.1
160.01649	1.0
161.02464	98.5
162.02992	8.6
163.04039	4.3
165.05602	2.1
175.04018	1.8
177.02054	1.1
177.05550	6.3
178.02664	0.7
179.03513	21.9
179.05205	1.2
180.04057	2.0
193.05067	2.2
195.06528	3.0
203.03586	0.8
204.06569	1.1
207.06590	0.8
221.04556	7.7
225.95880	0.6
235.06078	0.8
251.05600	4.8
265.07068	0.6
281.06647	8.8
282.06943	0.8
285.03906	1.2
295.08188	0.7
303.05203	1.0
341.08759	3.2
439.12564	0.8
446.08493	1.9
519.15094	38.9
520.15491	5.9
537.16095	61.2
538.16461	12.9
600.19995	1.2
601.19092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.5
59.01382	10.7
60.28729	0.5
61.98829	4.1
67.01882	0.5
69.78791	3.6
71.01384	8.0
71.05451	0.4
72.99329	0.7
73.02949	0.6
75.00822	0.5
85.02967	1.5
87.00887	1.1
89.02459	6.9
93.03435	1.1
96.96021	5.9
98.99966	0.5
101.02476	3.6
113.02470	2.9
116.92904	0.9
119.03512	2.1
121.02988	2.1
122.03773	5.5
123.04567	0.7
125.02442	0.6
128.03592	0.7
133.03015	1.0
135.04564	1.2
136.01677	1.1
137.02487	3.3
137.06085	0.7
139.04117	0.6
143.03484	0.8
147.04500	0.7
149.02464	18.8
149.05994	0.6
150.03250	44.5
151.03761	2.3
153.01930	0.7
158.84099	0.5
161.02432	1.1
161.04559	1.5
162.23816	0.5
163.03952	0.7
164.04816	5.3
165.00529	0.9
165.01952	26.8
165.05583	53.6
166.02493	1.6
166.06010	2.3
177.01891	0.5
179.03528	2.4
179.05624	2.4
180.04295	26.8
181.04800	2.1
183.06677	0.5
194.05846	0.5
195.06638	100.0
196.06985	6.2
210.05357	0.9
225.07646	2.5
243.08728	8.1
243.39183	0.5
301.07285	3.3
315.08710	1.0
316.09540	2.6
331.11832	9.6
332.12268	1.3
357.11813	1.0
379.13980	0.9
391.14001	17.8
392.14374	1.9
421.15024	1.1
439.16095	45.4
440.16354	7.0
553.18823	0.9
599.32294	0.6
601.21515	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	599.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60603	0.4
59.46740	0.3
61.98824	2.5
70.78590	1.3
71.05030	0.8
78.95908	0.7
82.49218	0.4
99.00891	0.6
99.92599	39.6
100.92610	2.1
100.93278	2.3
115.92094	52.8
116.92162	3.2
116.92876	65.1
117.92902	4.3
117.93644	0.6
132.92348	0.8
152.99661	0.5
153.59300	0.4
241.01057	0.6
244.16008	0.3
244.18559	0.4
258.53952	0.4
265.01678	0.7
284.74301	0.3
437.30219	0.4
453.33972	0.4
459.64862	0.4
499.34097	0.8
509.71652	0.4
513.76721	0.4
537.26117	1.1
553.26208	2.9
566.23633	1.8
567.23566	0.6
569.25836	9.5
570.25952	2.3
581.25989	2.7
582.25970	0.6
599.26807	100.0
600.27124	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	8.3
65.01824	0.4
74.97827	0.4
78.95926	1.6
96.96997	1.6
99.64852	0.6
99.92603	36.3
100.92631	1.8
100.93398	2.8
113.92663	0.5
115.92099	72.4
116.92110	4.4
116.92899	3.5
132.92349	0.7
148.05740	0.5
152.99609	1.1
169.77498	0.4
170.62645	0.5
198.86050	0.4
208.91689	0.4
238.58820	0.5
283.69855	0.5
311.44949	0.5
453.03650	0.5
499.34106	3.3
501.35522	0.8
549.22931	0.5
581.25537	1.2
584.24933	0.5
599.26813	100.0
600.27148	27.8
613.24994	4.0
614.24701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01380	2.4
60.04254	0.1
60.71419	0.1
60.99302	0.2
61.98832	100.0
62.98520	0.3
64.50504	0.1
67.86584	0.2
69.41576	1.5
71.01396	0.9
72.99332	0.1
73.02948	0.3
75.00878	2.2
76.01247	0.1
83.01389	0.4
83.05016	0.2
84.24885	0.1
85.02965	0.7
87.00878	0.2
87.04544	0.2
88.98844	0.5
89.02471	0.5
93.03483	0.4
95.01395	0.2
95.56606	0.1
99.00918	0.2
101.02461	0.8
113.02480	0.5
117.03518	0.2
119.03558	0.2
119.05062	0.8
122.06083	0.2
123.04581	0.5
125.02431	1.0
133.02988	0.3
134.03773	0.3
134.83037	0.2
135.04546	0.6
137.02489	0.3
145.02957	1.6
146.95213	0.1
149.02477	0.3
150.03210	0.3
151.04015	0.3
153.02016	0.2
153.05605	0.2
160.01677	0.2
161.02467	1.1
163.04073	0.4
165.05624	0.5
167.03511	1.0
168.03833	0.2
175.02563	0.3
175.04037	0.4
177.01936	0.2
177.05624	0.2
179.03566	0.5
179.05684	0.2
191.03566	0.6
193.05139	0.6
195.06717	0.2
205.05164	0.2
209.04579	0.2
221.04527	0.2
262.82953	0.2
267.29758	0.1
273.07669	0.3
295.10742	0.2
297.07727	0.4
299.09348	0.6
357.09802	0.3
358.10068	0.3
387.10913	0.4
388.11224	0.8
417.12183	0.4
418.12668	0.7
437.12781	0.6
461.14722	0.3
464.18472	0.5
496.20660	0.2
535.25476	1.9
536.26202	0.3
538.22076	0.4
567.75757	0.5
598.18939	0.3
599.16895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56863	0.2
55.78479	0.2
59.01380	2.8
61.73173	0.1
61.98833	100.0
62.98537	0.2
63.17255	0.2
65.09010	0.2
71.01392	1.6
71.29317	0.4
72.17809	0.2
72.99302	0.3
73.02971	0.5
75.00900	0.2
83.01395	0.4
83.05023	0.1
85.02969	0.8
87.00891	0.3
89.02449	0.8
91.10165	0.1
96.96043	0.2
99.00876	0.2
101.02468	1.2
105.03502	0.2
111.00872	0.2
113.02470	0.9
117.03521	0.4
119.03548	0.4
119.05024	0.3
121.03025	0.2
122.02501	0.2
123.04521	0.4
125.02508	0.3
132.02197	0.2
132.03067	0.2
133.02982	5.3
133.03992	0.3
134.03857	0.8
135.04547	1.7
137.02461	0.3
145.02979	0.6
147.04573	0.3
149.02469	0.3
149.06073	0.2
150.03259	1.4
151.03636	0.3
160.01711	0.7
161.02464	19.5
162.02840	0.9
163.04045	0.4
165.05586	2.1
165.06876	0.3
166.05952	0.4
167.03552	0.2
175.03970	1.0
179.03500	1.1
187.07610	0.3
189.05614	0.2
190.02769	0.3
191.07118	0.5
193.05037	0.9
195.06624	0.9
196.06999	0.4
218.02675	0.2
218.72299	0.2
235.06117	0.8
236.06453	0.4
251.05812	0.2
265.07227	0.4
286.92499	0.2
295.08350	0.3
342.14172	0.2
355.10489	0.5
356.10727	0.2
366.30942	0.2
373.13586	0.2
405.71893	0.2
485.32922	0.3
486.24405	0.3
486.33258	0.2
486.74429	0.9
487.33560	0.2
488.33374	0.2
490.19568	0.3
519.23163	0.2
535.25439	18.8
536.25800	3.3
536.33429	0.2
563.26440	0.2
567.77252	1.1
568.27478	0.4
598.25317	0.2
599.26324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.1
58.00586	6.5
59.01383	100.0
59.36804	1.8
61.98839	35.2
71.01387	64.3
71.71655	2.3
72.99313	7.5
73.02959	2.3
75.00862	2.6
83.01398	3.2
85.02956	13.8
87.00872	5.1
88.98814	4.3
89.02458	82.2
95.01389	7.0
99.00849	1.6
101.02465	30.5
109.02975	2.9
113.02460	30.0
119.03526	29.1
119.04999	3.5
121.02980	13.8
123.00866	1.4
123.04562	1.7
123.81452	1.5
131.03517	3.1
133.02975	2.0
135.04543	3.6
136.01688	2.5
137.02385	2.4
143.03528	11.7
147.04568	20.8
148.04855	3.0
149.02467	2.5
149.04588	4.1
151.00456	2.0
151.03992	2.5
161.02437	2.6
161.04607	11.5
162.03258	2.1
165.05589	32.6
166.05928	4.0
173.23170	1.5
179.03444	1.8
179.03717	1.8
179.05644	39.0
179.07190	3.5
183.02977	2.3
193.52753	1.7
195.06621	2.1
205.05156	2.1
207.06570	5.5
208.07019	3.1
209.04564	8.7
267.06570	3.5
279.06833	2.1
281.08078	4.5
282.08917	2.9
294.08868	2.3
296.10571	4.1
297.11371	6.2
300.02652	2.2
301.02991	2.5
312.10129	3.1
327.12341	20.7
328.12607	2.2
357.13510	5.4
387.14850	1.6
457.94513	1.6
459.66995	1.7
480.48886	1.6
496.02148	1.8
557.62756	1.8
597.14142	5.0
597.24017	7.2
598.65979	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	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97942	0.6
61.98830	4.5
62.87799	0.7
71.71735	1.4
75.52896	0.6
78.95914	59.1
96.55944	0.7
96.96979	13.5
116.93002	0.7
125.53884	0.7
149.02692	0.8
150.98076	0.8
152.99609	54.6
153.99985	1.2
167.07143	0.8
171.11661	0.7
181.12338	1.0
195.14026	0.7
196.89709	0.7
209.11871	1.9
223.00108	1.7
225.11270	1.0
241.01198	24.6
242.01756	0.8
279.23294	58.1
280.23663	6.6
280.95862	0.6
297.11462	4.3
298.11700	1.2
311.22342	1.5
315.04874	8.6
317.16156	0.8
415.22400	4.7
433.23697	2.8
595.28955	100.0
595.37378	4.6
596.29340	17.1
596.38696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
58.96575	0.1
59.01379	2.6
61.98833	100.0
62.98535	0.2
69.03427	0.2
71.01393	1.5
71.71640	0.3
72.99332	0.3
75.00862	0.1
83.01406	0.4
85.02956	1.1
86.03278	0.2
87.00909	0.2
88.98795	0.2
89.02448	1.2
93.03472	0.5
95.01379	0.2
97.03002	0.3
101.02460	0.9
103.46903	0.2
104.59200	0.1
107.01394	0.4
109.02960	0.2
111.00874	0.3
113.02451	0.4
117.03518	0.2
119.03568	0.3
119.05043	2.6
120.05381	1.0
121.02979	0.5
121.34888	0.1
123.04578	0.2
125.02457	0.6
129.01961	0.6
135.04555	0.4
137.02451	0.6
139.04042	0.5
143.03499	0.2
143.05035	0.2
144.05496	0.2
145.02963	0.5
146.03290	0.2
147.04553	0.3
149.02463	0.5
150.03223	0.3
151.00371	0.5
151.03990	0.2
152.40456	0.2
161.02472	0.5
161.04588	0.2
161.05997	0.2
163.00410	0.2
163.03996	0.3
165.01924	0.3
165.05589	0.7
166.02582	0.3
167.03493	0.7
168.03882	0.2
175.02531	0.2
176.04721	0.2
177.01968	0.5
178.02553	0.2
179.03444	0.3
179.05615	0.3
179.07237	0.1
180.04082	0.2
181.05103	0.6
187.04044	0.4
192.03903	0.2
193.01401	0.6
193.05049	0.2
194.01843	0.2
195.06590	0.4
197.04529	0.2
205.01411	0.6
205.03448	0.4
206.01863	0.2
206.03761	0.2
207.03011	0.2
207.06593	0.2
209.04590	0.4
210.05083	0.2
219.03029	0.3
220.03247	0.2
235.02437	0.7
236.02843	0.5
248.02873	0.2
265.03403	0.2
266.03879	0.2
271.05829	0.2
313.07199	0.6
313.99020	0.2
314.07571	0.9
325.07135	0.3
326.07504	0.4
343.08179	0.3
344.08594	0.6
347.12430	0.2
355.08273	1.8
356.08569	3.8
357.08765	0.3
357.13309	0.2
367.08597	0.2
368.08368	0.3
375.14200	0.2
385.09232	1.6
386.09668	4.5
387.09912	0.4
387.14581	0.4
399.14407	0.2
415.10266	0.3
416.10736	1.8
417.10620	0.2
435.16226	0.2
458.11768	0.5
475.12354	0.4
476.12854	1.7
477.13571	0.4
488.12857	0.3
505.13382	0.2
506.13770	1.9
507.14175	0.4
578.16064	0.3
596.16925	9.5
597.16821	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	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.4
56.31236	0.6
57.03459	0.8
59.01389	2.6
59.01630	0.4
61.98831	0.8
62.04198	0.4
67.01886	0.5
68.99831	1.1
69.03458	1.3
71.01395	3.1
71.71641	0.7
73.02951	1.0
75.00877	2.2
75.92509	0.5
79.05563	0.4
80.28141	0.5
81.03455	7.0
83.01394	5.8
85.02967	1.5
93.03466	5.4
95.01411	1.8
95.05035	4.6
97.02950	3.9
99.04525	2.1
101.02483	0.8
103.26882	0.4
107.01392	0.6
107.05051	2.1
108.02173	0.5
109.02956	3.6
111.00925	0.6
111.04537	2.7
113.02460	2.0
115.00381	1.4
119.05045	7.8
120.05400	0.6
121.02977	3.6
121.06653	1.1
122.03777	0.7
123.00888	1.1
123.04543	15.6
124.04890	0.8
125.02464	12.3
125.06085	0.7
126.02777	0.5
133.01443	3.4
133.06767	0.5
134.03716	0.5
135.04529	4.6
137.02470	6.1
137.06105	6.8
139.04031	10.0
140.04430	0.6
141.05592	0.9
142.06648	1.9
143.05135	0.6
145.03026	0.5
145.06564	0.6
147.04558	3.1
149.02466	1.5
149.06079	1.2
150.03241	1.0
151.00285	0.5
151.04045	3.5
151.07678	0.5
153.05589	2.2
155.03482	1.1
158.06133	2.1
159.04530	0.7
161.02490	1.1
161.06110	1.7
163.04089	3.0
163.07695	1.5
164.04855	1.1
165.01978	2.3
165.05586	7.2
166.02795	1.5
167.03511	27.6
168.03845	2.0
174.05547	0.7
175.04041	0.7
177.01912	0.6
177.05569	1.7
179.03493	7.6
179.07159	1.4
180.04224	1.3
181.05103	2.5
186.05702	0.7
187.04042	0.5
187.07732	0.4
189.05588	6.3
191.03447	2.6
191.07210	0.8
192.04272	0.5
193.05058	4.5
195.06615	0.9
197.04593	5.1
202.05125	1.3
203.03699	0.4
204.06622	1.1
205.05098	1.0
207.02950	0.8
207.06599	1.6
209.04558	29.0
210.04939	1.5
219.03027	1.3
219.06702	1.0
221.04561	4.5
223.06187	1.3
229.08598	2.2
231.06586	0.5
233.04523	1.4
235.06123	1.4
239.05602	10.5
240.06012	0.9
247.06174	0.4
251.05591	5.5
257.03540	0.5
263.05618	1.6
269.06558	2.9
271.09842	0.6
273.07635	5.5
275.05621	0.6
281.06726	1.2
285.07703	1.6
293.06592	0.6
313.11005	0.5
315.08710	16.4
316.09076	1.6
327.08774	7.8
328.09189	1.2
339.08572	0.5
341.10251	1.4
345.09811	7.5
346.10190	0.9
352.98822	0.5
354.07425	0.7
355.07928	0.6
357.09796	100.0
358.10138	13.0
369.09827	4.2
370.10153	0.6
371.11636	1.2
378.67178	0.4
387.10855	75.0
388.11176	9.5
399.10812	3.0
400.11032	0.9
417.11899	22.6
418.12268	2.9
429.11710	2.1
435.12689	1.0
441.11890	0.8
447.12811	0.9
459.13010	10.8
460.13464	1.3
463.08493	0.7
471.12848	0.9
477.14020	25.9
478.14447	3.8
489.14011	6.2
490.14413	1.4
507.15094	3.6
579.17291	2.4
594.66016	0.5
597.18115	17.0
598.18585	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	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.49591	0.3
59.01392	0.7
61.98832	2.1
66.55415	0.3
71.70419	0.5
78.95914	61.6
80.91696	0.8
85.53564	0.3
96.96980	11.6
97.31281	0.3
113.79311	0.3
150.98048	0.9
152.99615	91.4
153.99954	1.2
171.00665	2.5
173.93607	0.3
209.11826	1.0
223.00160	9.6
241.01205	25.6
242.01515	0.5
259.02298	1.6
279.23309	64.6
280.23648	6.9
291.18323	0.3
311.22086	0.3
315.04913	14.1
316.05164	0.6
333.05963	1.0
560.57202	0.4
595.28937	100.0
596.29309	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03444	0.4
58.00595	0.3
58.38396	0.2
59.01376	4.3
59.81929	0.2
61.98837	2.0
67.98201	0.2
70.73100	0.6
71.01392	3.4
73.02948	1.0
83.01391	0.9
85.02966	1.5
85.33608	0.3
87.00897	0.4
89.02460	0.7
91.01913	1.0
91.05540	0.2
93.03467	1.3
95.01421	0.3
101.02468	2.4
105.03549	0.3
107.05046	0.6
111.00899	1.1
113.02460	1.2
117.03494	0.4
117.19399	0.2
119.01402	3.9
119.05041	2.6
120.06495	0.2
121.02988	2.3
123.04547	0.5
125.02451	0.4
125.88166	0.2
133.02997	0.7
134.03752	1.0
135.04550	2.2
137.02473	0.5
147.00896	5.5
147.04521	0.6
149.02470	9.4
150.03114	0.7
151.03986	0.8
152.01199	1.1
161.02481	1.4
161.04521	0.3
162.03159	0.3
163.04025	4.1
164.04807	9.0
165.01932	1.6
165.05304	0.8
167.03548	0.4
169.05080	0.7
173.83888	0.2
175.00388	24.5
176.00795	1.5
177.01953	0.7
178.89113	0.3
179.03467	0.4
179.07185	1.3
189.01982	0.5
190.02739	64.5
191.03178	4.4
192.04190	0.7
193.01443	0.4
194.02200	0.6
195.06595	0.3
205.05078	61.5
206.05418	4.1
207.02982	0.8
207.06499	0.4
208.03772	1.0
209.04596	2.2
220.94983	0.2
223.06129	8.5
224.06444	0.6
227.12842	0.3
227.16570	0.4
251.05583	0.8
259.06097	0.3
260.83182	0.3
269.13791	0.3
393.17572	0.3
472.19705	0.3
565.22839	2.2
566.23553	0.3
580.25037	1.3
582.96619	0.3
595.27649	100.0
596.28015	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	595.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03446	1.0
58.00618	0.6
58.02977	0.6
59.01384	50.4
60.01717	0.9
61.98834	27.6
65.00307	0.5
71.01389	9.5
71.71719	0.5
71.72131	0.5
72.99299	1.1
73.02958	2.5
74.02478	1.0
75.00890	0.9
83.01387	2.2
85.02970	5.6
87.00877	1.5
89.02454	2.6
91.01918	1.0
91.05561	0.5
93.03465	1.7
95.01391	1.5
97.02972	0.5
97.06608	0.6
99.00901	1.3
99.04534	0.4
101.02463	5.8
107.01389	0.4
107.05112	0.4
109.02969	0.6
111.00913	2.3
113.02475	4.3
115.00413	0.5
117.03522	0.5
118.19071	0.4
119.01402	3.3
119.03521	1.3
119.05048	3.2
121.02975	6.1
123.04552	1.0
125.02463	1.3
129.02029	0.5
129.10374	0.7
131.03534	1.0
132.02145	0.5
133.02988	1.5
134.03726	1.7
135.04544	2.2
137.02480	1.2
139.00366	0.5
139.07706	0.6
145.02957	0.7
145.06781	0.4
147.00903	5.3
147.04526	1.2
149.02463	10.9
150.03169	1.5
151.03966	0.9
152.01172	1.3
153.01830	0.6
160.01663	0.5
161.02475	4.6
161.04582	1.6
162.03136	0.6
163.04034	4.2
164.04819	9.3
164.07149	0.7
165.01932	1.6
165.05571	2.3
166.02739	0.8
167.03519	1.4
169.05090	0.8
173.09361	0.5
174.01820	0.5
175.00388	24.4
176.00839	1.4
177.01964	0.6
177.05574	0.5
179.03500	1.2
179.07146	1.6
181.05055	0.6
189.01999	0.7
190.02740	60.5
191.03168	4.6
192.04131	0.4
193.05118	0.5
195.06636	0.6
205.05078	60.2
206.05421	4.0
206.08205	0.5
207.03041	0.9
207.06642	0.7
208.03758	1.2
209.04527	2.2
223.06158	8.6
224.06464	0.5
227.12978	0.7
227.16716	0.5
251.05670	1.1
355.08286	0.5
461.20557	0.4
473.24265	2.9
474.24939	0.5
475.12457	0.6
491.32620	0.5
533.16199	0.4
546.61658	0.5
565.23035	1.4
580.25629	1.6
595.27673	100.0
596.27966	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	595.131
Annotation	Myricetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
56.67300	0.3
59.01381	2.5
63.02413	0.4
65.00322	0.5
71.01389	0.8
71.72560	0.4
79.30714	0.3
83.01400	0.8
89.02482	0.4
107.01400	1.4
113.02456	0.3
124.01680	2.1
125.02482	0.9
135.00903	0.4
136.01706	0.8
137.02490	0.8
147.04573	2.0
150.03265	0.4
151.00397	5.9
151.04031	0.6
152.01198	2.2
158.97777	0.3
160.01703	0.3
163.00388	1.4
163.04012	0.7
164.01218	2.7
165.05560	2.2
169.01468	0.8
175.04050	0.9
177.02040	0.3
178.99878	10.8
180.00273	0.8
187.04059	0.6
192.00630	0.5
193.01395	0.3
199.04063	0.4
203.03548	0.9
204.04308	0.8
207.06680	1.3
214.02727	6.1
215.03336	0.7
227.03569	0.8
242.02199	5.6
243.02956	3.4
259.02469	6.1
260.02948	0.5
270.01657	6.9
271.02469	37.5
272.02859	3.5
287.01978	22.3
288.02496	3.2
299.02057	1.5
315.01486	1.7
316.02258	100.0
317.02689	12.5
318.67993	0.4
361.11337	0.6
433.14935	0.8
565.22772	0.7
595.13074	98.7
596.13397	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1674
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.76758	0.5
59.01345	0.6
70.02405	3.7
71.01363	0.8
73.02934	0.9
81.03455	0.8
83.01416	1.8
93.03466	3.0
95.01376	1.0
95.46356	0.6
97.02964	1.7
107.01434	3.3
109.02972	1.3
111.04523	0.8
113.02430	1.1
119.05052	18.9
121.02993	1.9
123.00931	0.8
123.04533	1.7
125.02459	5.2
135.04555	1.4
137.02444	2.0
139.04034	2.1
143.05064	2.9
145.02968	4.3
145.36943	0.7
147.04570	1.3
149.02470	2.6
150.03180	0.9
150.98091	0.5
151.00401	2.9
151.04016	1.0
161.06155	1.0
163.00392	1.7
163.04021	2.7
164.01068	0.5
165.01971	2.7
165.05556	0.7
167.03496	7.2
169.15715	0.6
177.01955	2.7
177.05592	0.8
178.02798	1.0
178.90353	0.6
179.03502	2.2
181.05128	0.7
183.45029	0.6
187.03992	4.2
191.03522	2.6
193.01439	8.4
193.05168	0.7
197.04567	3.8
199.07550	0.9
201.05481	0.7
205.01414	4.5
206.02177	0.7
207.03003	3.3
209.04546	4.3
217.01416	0.8
219.02956	2.5
221.04576	1.2
223.02585	1.6
227.07233	1.7
233.04628	0.9
235.02480	13.2
236.02890	1.0
239.05461	3.5
241.08743	1.1
243.06670	1.1
245.08163	0.8
247.02501	2.4
249.04022	2.0
261.04086	2.1
265.03555	5.8
265.08527	1.7
267.06754	1.3
271.06097	4.9
277.03577	1.3
283.06128	2.1
283.09628	0.7
291.05142	1.3
295.04648	1.1
311.09286	1.0
313.07208	21.2
314.07513	2.4
325.07227	8.0
326.07547	1.6
327.08624	1.5
337.07169	0.8
339.08746	1.4
343.08353	7.7
344.08633	1.0
353.06534	1.5
355.08255	100.0
356.08612	10.9
367.08365	6.3
368.08582	0.8
369.09875	1.5
383.07733	0.9
385.09320	75.3
386.09598	9.3
397.09253	4.2
399.10733	0.8
409.09497	0.7
415.10385	21.7
416.10583	2.2
427.10406	2.7
439.10135	1.1
445.11322	0.8
457.11392	8.9
458.11609	1.0
469.11246	0.6
475.12497	39.8
476.12714	4.8
487.12457	4.8
488.11978	0.7
505.13574	10.7
506.14209	1.4
577.15887	4.0
595.16748	99.8
596.17114	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	594.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92966	0.5
59.01381	9.0
61.98837	2.0
69.52705	5.1
71.01385	1.5
72.99316	2.0
74.02539	0.7
75.00875	0.5
86.40871	0.6
88.98825	1.0
89.02445	0.5
98.19817	0.9
101.02460	0.6
102.36956	0.6
104.03571	0.6
116.05075	5.7
117.05447	0.7
128.05087	1.6
130.06625	1.7
135.04565	0.6
139.25732	0.5
142.06648	100.0
143.06993	5.4
144.04582	1.1
146.06136	1.1
149.02489	1.6
152.01070	0.7
158.06129	11.3
161.02431	1.2
164.04807	1.1
172.04092	1.3
174.05634	0.7
175.00378	1.3
186.05627	48.2
187.05998	2.3
190.02696	2.5
204.06674	72.2
205.05095	2.6
205.07019	4.6
206.05785	0.6
214.45432	0.6
216.06676	2.2
223.06181	2.0
227.03568	1.0
228.03818	0.9
246.07715	45.4
247.07982	4.2
253.30908	0.5
255.02988	2.1
256.03348	1.2
259.11768	0.8
265.07202	2.3
271.02579	1.0
272.03070	0.7
284.03314	1.9
285.03827	3.7
286.04327	1.6
295.08105	0.8
299.01886	0.9
300.02881	0.8
301.03189	1.1
316.02182	0.9
325.09433	0.8
594.15540	5.6
594.28003	1.0
595.12872	1.7
595.20496	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	594.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.2
69.47593	6.3
72.99332	3.0
75.14795	0.5
101.44601	0.6
103.17764	0.6
116.05108	3.3
128.05093	1.8
130.06647	1.9
142.06644	100.0
143.07027	6.1
158.06142	10.9
186.05624	43.5
187.05992	3.1
204.06674	71.1
205.07002	5.6
227.03523	2.7
228.03874	1.4
229.05157	0.7
246.07709	43.1
247.08101	3.1
255.03029	1.9
256.03357	2.0
284.03336	3.1
285.03864	6.8
286.04410	3.9
535.74469	0.7
594.15619	9.5
595.15735	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	593.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
61.98838	10.5
71.19118	1.0
75.00880	2.4
78.95915	65.4
96.96980	13.8
98.32587	0.4
134.98599	0.6
150.98029	1.2
152.99619	60.9
171.00629	0.6
209.11879	4.5
223.00162	2.2
227.03419	0.6
227.12659	0.5
241.01212	29.5
242.01453	1.2
255.02942	1.1
259.02347	0.7
259.20804	0.7
275.20322	0.4
277.21747	46.4
278.22092	5.3
284.03244	1.7
285.03885	1.2
315.04886	8.4
413.20975	5.6
414.21237	0.7
431.21970	2.3
449.76764	0.5
517.31659	0.8
593.27368	100.0
594.27710	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	593.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24434	0.7
53.60620	0.6
55.01880	1.4
55.16845	0.6
57.03443	1.8
59.01383	100.0
61.85511	0.7
61.98833	15.2
67.10706	0.6
69.03487	1.1
69.47646	6.7
71.01395	19.6
72.99355	0.9
73.02955	4.1
75.00890	0.9
83.01414	2.9
85.02969	12.0
86.00161	0.7
87.00415	1.1
87.00871	5.0
88.98820	1.0
89.02493	2.8
91.00065	0.6
95.01424	2.8
97.02975	1.3
99.00909	2.7
101.02457	9.8
111.00921	1.7
113.02473	11.4
119.03514	1.2
125.02484	2.2
133.03024	1.4
135.03032	1.1
135.04596	1.5
135.49364	0.7
137.02501	1.0
143.03569	1.4
145.02991	0.7
160.01686	0.8
161.02527	3.6
161.04651	3.7
167.03531	1.1
173.59892	0.6
175.00096	0.6
175.04036	0.9
177.52354	0.6
178.02872	0.7
179.03580	1.1
204.06737	0.9
227.03590	1.8
243.06694	0.9
255.02946	4.5
256.03986	1.0
271.02570	0.7
284.03229	5.8
285.04034	3.7
290.06024	0.7
299.26010	1.6
302.27643	0.7
312.14890	0.8
345.29984	4.2
489.34341	63.8
490.34668	10.7
507.35373	27.1
507.42819	1.4
508.35788	5.5
533.33258	1.9
549.36444	8.5
550.36926	1.4
593.15155	6.4
593.25061	1.1
594.15369	1.5
598.30872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93834	0.5
59.01380	1.6
62.96391	0.8
69.68914	0.5
78.95914	64.7
96.96985	14.1
98.19839	1.4
105.57565	0.5
134.22861	0.5
150.98026	0.6
152.99614	100.0
153.99930	1.5
171.00656	3.2
223.00134	10.5
229.92516	0.6
233.22752	0.7
241.01210	28.3
242.01546	1.2
259.02319	1.7
277.21741	52.2
278.22058	6.8
288.52164	0.5
315.04895	15.8
316.05295	0.7
321.58499	0.5
580.54846	0.5
584.57385	0.6
593.27368	99.1
594.27722	17.6
599.32739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42454	0.3
57.03466	0.5
59.01383	9.1
60.99322	0.5
61.98838	10.9
63.02422	0.5
65.00343	1.0
67.01971	0.4
71.01386	5.7
72.99334	0.7
73.02967	1.0
75.92566	0.3
83.01425	1.1
85.02959	2.1
87.00889	1.1
88.98817	3.4
89.02451	3.0
91.01901	1.8
93.03471	2.1
95.01438	0.6
99.00909	0.8
99.70273	0.3
101.02454	3.1
105.23310	0.3
107.01404	0.9
109.03008	0.5
111.00925	1.1
113.02483	2.1
117.03512	1.1
119.01424	3.4
119.03547	0.7
119.05058	1.3
121.02978	3.4
123.04542	0.8
125.02490	0.9
132.02193	0.4
133.02974	2.0
134.03770	1.9
135.04555	3.0
137.02473	0.8
145.02980	3.6
147.00914	5.0
147.04564	0.6
149.02470	7.9
150.03178	0.6
151.00397	1.2
152.01131	1.0
153.05545	0.4
159.04457	0.4
160.01735	0.5
161.02477	3.5
163.00444	0.4
163.04045	3.8
164.01152	0.4
164.04811	7.2
165.01979	1.8
165.05511	1.2
167.03516	0.4
169.05098	0.8
170.18950	0.4
175.00381	23.5
175.03952	0.7
176.00818	1.4
177.01947	1.0
178.99881	0.4
179.03523	1.4
179.05737	0.5
179.07143	1.6
185.06088	0.5
187.04008	0.8
189.01987	0.9
189.12837	1.0
190.02740	70.3
191.03185	4.1
192.04462	0.5
193.01503	0.6
193.05110	0.5
194.02293	0.3
205.05075	67.5
205.62692	0.4
206.05475	4.4
207.03011	0.8
207.06598	0.6
208.03761	1.3
209.04526	2.0
211.04002	0.8
213.05588	0.6
221.08313	0.7
223.06131	7.4
224.06525	0.8
227.03522	9.9
228.04016	0.6
229.05066	2.1
236.03244	0.4
239.03424	0.6
241.05011	0.5
250.04964	0.4
251.05574	0.8
255.02986	16.1
256.03534	2.2
257.04510	1.4
265.07120	1.2
281.06494	0.4
284.03278	18.6
285.04034	22.4
286.04388	2.0
307.08099	0.9
399.35593	0.4
447.09381	0.7
533.25903	1.4
549.29028	0.4
563.21057	1.0
578.23755	1.0
589.86359	0.4
593.13324	19.6
593.25891	100.0
594.13568	5.1
594.26190	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71523	0.3
53.47872	0.3
58.73370	0.3
59.01382	0.5
61.98836	100.0
62.98539	0.4
70.91194	0.5
70.91548	0.5
80.96516	0.4
109.22829	0.3
121.02973	0.4
138.59995	0.3
138.67093	0.3
156.64293	0.3
168.66008	0.3
191.26260	0.3
198.57318	0.4
209.04668	0.3
255.03043	0.5
284.03214	0.4
357.52090	0.3
523.03491	0.3
593.15656	0.5
593.26801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44242	0.2
59.01405	0.2
61.98832	4.0
63.02394	0.4
65.00329	0.6
70.93250	0.4
70.93620	0.5
83.01400	0.6
85.03017	0.2
91.01913	0.3
92.90926	0.2
93.03481	0.8
107.01400	2.0
117.03503	0.3
118.57674	0.2
132.02188	0.8
133.80588	0.2
135.00908	1.5
143.04982	0.3
151.00401	3.7
153.01930	0.5
155.05080	0.2
157.06610	0.5
159.04532	0.6
163.00412	1.5
164.01088	0.5
167.05023	0.3
169.01434	0.7
169.06537	0.3
171.04544	0.5
175.04033	0.3
178.99922	0.4
182.83018	0.2
183.04482	0.7
185.02420	0.3
185.06087	1.1
187.04056	1.5
189.05571	0.6
195.04570	0.3
197.06113	0.6
199.04028	0.7
200.04822	0.5
211.04054	2.3
212.04492	0.3
213.05600	1.1
227.03510	39.1
228.03886	3.3
229.05077	4.7
230.05388	0.5
239.03418	1.0
240.04178	0.5
241.05043	0.9
243.03014	0.3
255.02985	71.3
256.03510	9.3
257.04523	4.2
258.04800	0.3
267.02869	0.4
268.03458	0.2
283.02505	0.9
284.03259	100.0
285.03955	39.9
286.04413	3.0
299.05624	0.3
327.05103	1.5
351.27002	0.2
447.09271	0.2
502.70587	0.2
540.88129	0.2
593.15143	96.5
594.15503	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72007	0.4
58.59597	0.4
63.02400	0.8
65.00314	0.5
70.90091	1.1
70.90456	0.8
91.01860	0.5
93.03491	1.6
107.01411	2.2
132.02176	0.9
133.12181	0.4
135.00891	1.9
136.34877	0.4
141.03976	0.4
143.05066	1.1
151.00417	2.5
153.01967	0.8
157.06638	1.0
159.04512	1.3
163.00375	2.9
164.01126	0.6
165.01971	0.7
167.04973	0.9
169.06497	0.7
169.38727	0.4
171.04509	1.4
173.06030	0.6
179.00009	0.5
183.04530	1.0
185.06104	2.8
187.04010	3.2
188.04544	0.5
189.05592	1.1
195.04521	0.9
196.05215	0.6
197.06046	0.8
199.03975	1.2
201.05692	0.6
211.03979	3.6
213.05698	2.2
227.03506	37.8
228.03920	2.8
229.05066	12.2
229.06839	0.3
230.05406	1.2
239.03525	1.8
240.04218	0.8
241.05051	1.5
255.02986	64.9
256.03494	8.6
257.04514	5.4
267.03003	1.0
283.02625	0.8
284.03262	55.8
285.04025	76.6
286.04401	7.8
327.04932	1.0
593.15149	100.0
594.15491	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	591.318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94769	0.3
59.01369	0.3
60.99308	15.8
61.98835	3.8
72.15329	0.4
75.00897	0.6
82.61137	0.3
88.98816	100.0
89.99158	1.2
92.07489	0.3
98.19734	0.7
120.81093	0.3
140.83080	0.4
171.51662	0.3
178.75896	0.3
257.75934	0.3
409.41275	0.4
501.31873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
60.99314	14.6
61.98836	7.9
70.36382	0.5
75.52215	0.5
83.13795	0.5
88.98817	100.0
89.02471	3.2
89.99132	0.7
98.19891	1.7
230.13216	0.6
239.12782	0.6
287.83466	0.5
295.22815	0.9
314.59067	0.5
471.31201	1.6
501.32489	4.8
502.32605	1.3
553.30304	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	592.298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77937	0.2
58.33321	0.1
59.01374	0.5
61.98834	100.0
62.98536	0.3
70.69387	0.2
71.01360	0.1
78.28676	0.1
78.95910	0.1
80.96527	0.3
85.02971	0.2
88.98870	0.2
89.02458	0.2
121.03001	0.2
125.02525	0.2
142.09366	0.1
148.58171	0.1
154.96509	0.1
182.55853	0.1
196.27235	0.1
223.38196	0.2
227.68193	0.1
228.55028	0.1
228.57913	0.2
249.19325	0.1
255.03040	0.3
284.03391	0.3
285.04022	0.3
402.14816	0.2
592.25623	0.3
593.14966	0.4
593.26672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01382	9.0
61.98833	10.0
62.41482	0.8
68.58566	0.8
69.71886	6.0
70.02979	2.1
71.01396	5.2
72.00900	3.8
72.99308	1.6
73.02966	0.9
74.02470	3.2
79.42082	0.8
82.06633	1.1
83.01457	0.8
83.06757	0.8
85.02963	1.7
88.98817	2.2
89.02471	1.9
89.31743	0.8
90.23663	0.8
96.00929	27.3
97.00484	1.1
97.04086	1.2
98.02493	8.6
98.19868	1.4
101.02473	2.5
107.05068	1.5
110.02480	5.9
111.00901	1.7
111.02051	2.2
112.00396	1.9
113.02479	2.6
114.01991	0.9
119.05035	2.6
120.18377	0.8
121.02955	1.5
122.02575	0.8
123.05732	0.8
125.02448	1.3
129.10374	10.6
133.02969	1.6
133.05371	0.7
133.06618	2.5
134.03745	2.4
134.06113	1.4
135.02022	8.0
135.04529	3.5
137.03586	2.1
139.08827	2.2
140.07187	1.5
143.11903	1.1
145.02940	1.7
145.06642	5.5
146.06128	1.2
147.04539	1.5
148.07715	6.1
149.02448	2.2
149.06094	1.4
155.08296	20.5
160.01718	2.0
160.07680	4.6
161.02457	5.3
162.03244	0.9
162.08144	0.8
162.09288	4.8
163.04109	1.0
164.04819	1.3
165.05542	2.1
167.03615	1.0
169.09923	1.3
170.06099	1.2
172.04803	0.7
175.04008	2.2
179.03555	2.0
180.06671	4.8
186.05640	3.7
188.07204	7.2
189.05571	2.6
189.94672	0.7
190.02740	1.2
192.06660	0.8
193.05104	0.9
200.07263	1.4
203.08295	1.0
205.05141	1.7
205.09853	2.8
206.08250	9.6
208.10986	1.3
215.03438	1.6
221.16492	0.9
223.06155	1.9
224.17621	1.5
225.16060	3.6
232.06139	4.8
242.18744	10.6
243.07718	1.2
244.06242	0.9
247.07268	1.6
249.08771	15.7
258.15042	1.3
259.10812	0.8
261.08752	2.0
264.09924	1.6
266.11536	3.8
267.12286	1.0
268.16681	2.2
275.17709	1.2
284.10416	2.9
301.15677	1.1
302.11478	1.4
303.09872	1.7
304.09390	2.7
328.09363	6.3
370.24985	1.5
371.24121	0.9
396.22665	0.9
397.11270	1.7
412.21848	1.2
414.23947	5.9
415.12497	2.3
415.24048	1.0
431.26169	1.2
458.23001	16.7
459.23260	1.6
473.24091	2.2
475.25693	3.7
485.24042	0.9
511.25748	4.0
513.23688	2.6
529.26709	4.4
531.24323	13.6
532.24823	2.0
547.27728	1.0
549.29083	1.3
555.24664	100.0
556.25000	19.3
573.18158	0.9
573.25879	7.4
574.25342	1.4
591.26770	79.8
592.18646	1.0
592.27283	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	591.262
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.94102	0.3
61.98850	0.8
71.71478	0.4
74.82027	0.4
82.55274	0.4
85.23048	0.4
106.06679	0.6
114.83283	0.3
125.77851	0.4
160.79584	0.3
162.09932	0.4
186.27017	0.3
207.37994	0.3
436.20602	0.4
443.22983	2.0
445.20163	1.7
446.20239	0.5
455.22134	1.0
456.23270	0.7
458.20984	0.6
459.21927	2.3
460.22296	0.6
461.23398	0.4
462.20819	0.9
471.20691	0.5
471.25555	2.2
472.18195	0.3
472.22833	1.1
473.23306	1.3
481.19684	0.4
482.20847	1.7
483.21774	0.5
485.19855	2.2
487.25732	3.0
488.23654	0.7
489.22586	0.5
497.23456	3.3
498.23483	0.9
499.21317	2.8
500.22180	12.5
501.22797	2.2
504.21539	0.9
513.22656	0.6
514.23608	1.0
515.24542	100.0
516.24835	20.6
519.24463	0.6
559.23737	5.5
560.23706	1.2
597.51776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86881	0.5
51.61621	0.4
53.13028	0.4
57.03444	0.9
58.00592	1.0
58.65721	0.4
59.01088	0.9
59.01383	18.9
60.99315	0.7
61.98833	24.6
69.54607	4.4
70.16666	0.4
71.01390	11.8
72.99319	1.0
73.02957	2.1
73.69952	0.4
75.00884	0.6
81.03496	0.5
83.01389	1.5
83.01832	0.5
83.05035	4.7
83.81272	0.4
85.02958	3.0
87.00894	1.5
88.98843	3.1
88.99303	0.6
89.02454	5.2
91.01891	0.9
91.05563	0.5
93.03482	0.9
94.10312	0.5
95.01398	1.1
96.00906	1.1
97.02984	0.8
98.02487	0.7
99.00905	1.0
101.02467	6.0
107.01392	0.5
107.05050	1.2
110.02505	0.5
111.00896	0.8
113.02444	4.7
115.00404	0.6
117.03469	1.0
119.01402	3.0
119.03532	1.5
119.04976	0.8
121.02968	3.0
121.06618	1.3
123.04540	0.8
125.02422	1.3
129.10364	0.8
132.02155	0.6
133.02965	1.6
134.03778	2.4
135.04570	4.7
137.02455	1.0
145.02962	1.8
147.00894	2.0
147.04523	1.3
148.05356	0.6
149.02466	23.4
149.06078	0.5
150.02890	1.1
151.00317	0.6
152.01170	1.0
153.01939	0.8
155.08267	1.1
160.01657	1.2
161.02461	4.7
161.04533	1.2
162.03139	0.8
163.04039	8.7
163.07666	0.6
164.04816	26.0
165.01945	1.2
165.05534	2.8
166.02733	1.6
167.03479	0.9
169.05003	0.9
173.02403	1.7
175.00392	19.2
175.02631	0.8
175.04018	1.3
176.00868	0.7
176.04491	0.6
177.01945	1.2
177.05583	2.3
178.06297	0.8
179.03519	2.1
179.07146	7.4
181.05161	1.1
188.04929	1.1
188.07133	0.5
189.01900	1.2
190.02736	52.5
191.03467	10.5
192.04236	0.9
193.01447	1.4
193.05127	1.3
201.11406	1.0
203.07178	4.0
205.05074	42.2
205.12357	0.8
206.05823	17.8
207.03011	5.4
207.06322	1.6
208.03755	7.3
209.04579	1.6
215.92195	0.6
221.08188	23.0
222.05365	2.0
222.08496	1.6
223.06119	54.7
223.17026	0.6
224.06393	3.5
232.03844	1.1
235.02469	1.8
235.06161	0.6
237.07687	10.0
238.07973	0.6
242.18649	0.5
247.06145	3.2
250.04825	6.9
251.05391	1.6
251.09277	1.0
263.74072	0.5
265.07162	100.0
266.07468	7.8
266.11581	0.5
267.15759	0.7
277.07153	0.7
280.05991	0.6
289.07135	0.7
295.08246	42.2
296.08612	3.3
310.06821	0.7
319.08472	0.7
325.09302	51.3
326.09628	5.3
354.71622	0.5
367.10275	1.6
385.11401	22.0
386.11490	2.3
399.10779	0.6
427.10291	2.2
428.10947	0.6
458.22937	1.0
547.27399	1.7
555.24683	7.0
556.25012	2.0
591.17163	0.6
591.26068	10.5
592.25629	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	591.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75660	0.7
59.01382	17.8
59.54521	0.6
59.94692	0.6
61.98844	3.2
69.32655	0.6
70.34110	0.7
70.86256	1.0
70.86614	1.9
71.01399	4.5
72.99306	3.8
75.00858	1.0
85.02965	1.1
87.00875	1.0
88.98828	1.7
89.02461	1.9
94.06629	1.3
101.02475	1.5
112.04049	0.9
113.02460	2.4
116.05071	14.3
128.05074	2.0
130.06638	2.5
135.02959	1.0
138.05617	12.2
142.06642	87.7
142.99835	0.9
143.07002	4.9
144.04521	1.0
146.65234	0.7
151.00397	1.4
156.08232	0.8
157.05338	1.0
158.06125	21.2
159.06415	1.2
160.01685	0.8
161.02446	1.3
168.04523	1.5
168.08221	6.0
175.02499	1.7
175.03992	1.3
178.99765	0.7
184.07664	1.1
186.05615	60.7
187.05992	5.1
194.08278	1.2
204.06664	79.5
205.07008	6.0
216.31805	0.7
223.58719	0.7
228.06725	0.9
237.13966	3.0
246.07704	3.8
271.02521	1.0
281.12885	1.6
299.13998	0.8
300.02805	3.5
301.03543	2.8
323.14069	2.1
325.11841	3.3
339.13464	1.1
341.01587	0.8
343.13004	45.3
344.13300	5.1
367.12976	2.0
381.14294	0.7
385.14041	100.0
386.14359	14.0
387.14981	0.7
399.15747	1.2
427.15170	7.2
428.15335	1.6
447.09290	4.0
505.18298	3.9
506.18582	0.9
547.19440	9.8
547.27368	1.1
548.19653	1.8
591.19305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17162	1.2
50.88797	1.2
55.01869	1.3
55.30891	1.2
57.03452	7.3
59.01381	84.5
61.98835	100.0
69.03436	3.7
71.01389	25.8
71.05026	2.3
71.71577	2.6
72.99308	3.0
73.02959	12.0
75.00877	5.0
81.57054	1.3
83.01392	17.0
83.05035	2.9
85.02963	11.2
87.00874	6.7
88.98828	4.3
89.02456	13.7
95.01400	4.0
95.05062	2.0
97.02951	2.1
99.00912	2.9
99.04533	1.4
101.02460	27.2
107.05064	3.0
108.02177	1.2
109.02979	1.9
111.00818	2.7
113.02461	17.1
114.93434	7.0
115.00404	1.4
119.03524	4.4
120.05791	1.8
122.60179	1.2
123.04517	2.1
125.02465	5.5
125.06124	1.3
131.03513	4.7
133.02992	5.6
134.03778	1.6
135.03030	8.5
135.04539	8.0
136.04860	1.4
137.02480	2.1
139.00368	1.2
142.06570	2.1
143.03517	1.9
145.02980	1.7
147.08244	1.6
149.04633	1.7
149.06087	1.8
151.00415	3.6
160.01718	3.3
161.02481	15.3
161.04597	5.1
161.09749	8.0
161.13441	3.6
162.02815	4.0
163.00536	1.3
163.04048	1.9
163.11278	4.3
165.05565	1.5
175.04045	3.1
177.05640	1.4
179.03522	4.3
179.05643	5.2
179.10803	2.5
185.13356	3.3
187.07712	2.2
187.11276	9.6
189.05696	1.8
189.09221	5.0
190.02763	2.1
193.05084	1.6
203.10791	1.7
205.12350	5.4
207.10297	8.1
213.05583	2.1
221.04662	1.4
221.06816	1.5
223.06134	2.7
223.13411	49.2
224.13771	3.6
227.03564	2.6
229.12364	2.8
231.10280	2.2
249.11325	5.9
255.02954	5.6
263.07504	1.7
265.23642	1.6
267.12360	62.8
268.12753	5.1
269.04547	3.0
271.02396	3.8
284.03253	6.3
285.04144	6.4
291.12393	3.7
300.02728	8.5
301.03619	6.9
303.12344	1.9
309.13437	7.1
313.03403	2.0
321.13229	2.4
333.13651	1.7
339.14462	14.7
340.14941	2.4
351.14490	3.9
369.15497	20.9
370.15833	2.8
399.16519	1.7
411.16479	3.9
412.16550	1.6
429.17471	43.2
430.18002	4.9
443.19083	2.1
447.09619	11.8
448.09781	1.7
475.18097	1.4
475.26120	2.1
489.10330	2.4
528.21558	9.5
547.27600	7.0
548.28302	1.7
591.13867	7.7
591.22876	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	590.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01379	9.9
61.98833	79.8
70.45804	2.3
71.01387	13.1
72.99321	2.7
73.02946	0.7
75.00877	12.6
82.49010	0.6
85.02966	14.4
87.00892	4.4
88.98837	3.3
88.99294	0.6
89.02450	3.8
95.01403	3.4
98.19912	0.7
99.00894	6.4
103.00407	1.7
104.18362	0.6
105.01968	1.4
105.93703	0.6
113.02471	16.2
114.02773	0.8
115.00372	1.3
117.01959	1.5
121.75851	0.6
122.09311	0.7
129.01950	0.9
164.48514	0.6
175.02493	1.5
184.61754	0.5
205.07124	0.7
221.45033	0.6
249.06149	2.5
267.07224	3.7
277.21722	34.6
278.22113	3.4
295.07214	0.6
358.09253	0.6
403.41205	0.6
508.44165	0.7
514.32825	1.0
527.28583	100.0
528.28882	17.2
590.30139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1362
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
55.01875	0.7
57.03451	5.2
58.00574	1.3
59.01385	24.5
60.01720	0.7
61.98835	64.1
65.00356	0.8
68.99828	1.2
71.01387	12.9
71.05476	2.1
72.99309	2.5
73.02944	3.8
73.54658	0.8
74.02494	1.0
75.00875	3.2
81.03456	1.1
82.68403	0.8
83.01398	2.8
85.02966	6.0
87.00893	2.7
88.12265	0.6
88.98818	1.3
89.02454	7.5
93.03451	1.9
95.01418	1.1
95.05010	0.8
96.96017	2.9
98.20536	0.8
99.00900	2.1
99.04535	2.2
101.02451	9.1
107.01423	2.6
109.02981	1.8
111.00911	2.9
113.02449	6.0
113.28353	0.7
114.02773	1.2
115.00363	2.3
116.05065	0.9
117.03454	1.4
119.03534	3.1
119.05061	1.4
121.02925	0.9
123.04546	1.8
125.02477	3.7
126.93170	0.8
132.02193	1.8
133.01457	2.9
133.02971	5.8
133.05090	1.3
134.03760	1.6
135.00911	1.8
135.03033	7.7
135.04553	4.1
136.04912	0.7
137.02451	1.3
139.07625	0.7
141.05597	1.7
142.06667	4.7
142.20459	0.7
143.03557	1.3
143.05009	1.0
144.32208	0.6
145.02969	0.9
149.02470	1.1
149.04562	3.0
149.06010	1.1
150.03214	1.5
151.00436	3.8
151.04019	1.7
152.01170	1.1
153.01938	1.9
157.06561	1.0
159.04483	1.2
160.01703	4.8
161.02472	19.6
161.04562	2.8
162.02808	6.3
163.00423	2.4
163.04106	0.9
164.01120	1.1
165.01985	1.1
165.05502	1.0
167.03560	1.1
169.01436	0.8
171.04427	1.6
174.01720	1.1
175.02641	1.0
175.04025	3.7
177.01968	1.3
177.05612	0.9
178.99896	1.8
179.03502	2.9
179.05649	2.7
179.07146	0.9
185.06058	1.7
187.04063	3.2
187.11415	0.8
189.05603	0.8
191.05547	1.2
191.07216	1.0
193.05057	2.0
197.06137	0.9
199.04068	0.8
204.06642	2.9
205.05127	1.0
211.04033	3.0
213.05608	2.1
221.06671	1.4
223.13382	1.3
227.03500	24.0
228.03911	3.0
229.05074	11.4
230.05424	1.3
231.06607	0.9
239.03583	1.5
241.05083	1.7
255.02982	56.3
256.03491	8.1
257.04651	6.2
267.12457	1.3
269.04675	1.2
271.02502	2.3
271.05936	1.0
284.03259	87.0
285.04016	100.0
286.04376	8.5
300.02829	3.2
301.03531	2.9
309.07599	1.1
321.07687	0.9
385.15314	0.8
387.14902	0.7
429.17197	1.0
447.09357	51.6
448.09879	5.4
478.16193	0.9
487.25613	1.0
489.10410	60.6
490.10693	8.5
505.26706	1.0
527.21289	2.5
528.21600	6.2
529.13513	23.8
530.14197	4.8
530.21368	1.2
547.20642	0.8
547.27728	6.4
552.25269	4.7
553.25336	5.4
554.26202	1.4
561.20038	1.9
573.19598	1.4
590.30707	1.2
591.12842	17.4
591.21844	4.5
592.14252	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.8
61.98810	0.9
71.01402	3.6
71.71969	0.7
71.72353	1.1
72.99329	0.6
73.02967	1.2
75.00869	1.3
85.02974	1.9
85.06609	10.0
87.00888	0.8
89.02479	1.0
99.00884	0.9
100.49393	0.7
101.02425	1.7
111.00874	0.8
113.02502	1.6
113.06110	13.8
121.02966	5.6
123.04485	0.7
125.02444	0.9
131.07161	100.0
132.07486	3.5
133.05151	0.8
134.03764	5.1
135.02997	0.7
135.04520	0.9
135.39700	0.7
149.02477	2.6
149.06105	7.4
150.03242	6.0
161.02469	1.8
164.04727	0.9
165.04233	1.5
165.05574	7.7
173.08212	46.9
174.08562	2.7
193.04996	0.9
195.06630	5.3
197.08241	1.2
228.18085	0.7
231.82741	0.8
249.06154	2.9
343.11877	4.5
345.13654	2.0
371.09860	8.9
372.10266	1.2
472.20673	0.8
491.09714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
61.98834	100.0
62.98542	0.3
63.99255	0.5
71.01394	0.9
72.99314	0.1
73.02972	0.3
75.00883	0.1
83.01437	0.1
85.02939	0.5
87.00887	0.2
88.98844	0.3
89.02460	0.3
93.03509	0.1
95.01396	0.1
97.03018	0.1
98.20658	0.1
101.02465	0.6
108.02212	0.5
109.02992	0.3
111.00914	0.4
113.02489	0.3
115.00410	0.1
119.03566	0.1
119.05064	0.2
121.03000	0.2
121.83971	0.1
122.03815	0.3
123.04627	0.2
125.02487	0.4
133.03012	0.4
135.04567	0.3
137.02451	0.2
139.00383	0.1
139.04137	0.1
147.03081	0.1
147.04495	0.1
149.02492	0.3
149.04700	0.1
150.03244	1.3
151.00403	0.1
151.03714	0.4
152.01170	0.5
153.01888	0.3
153.05624	0.3
158.08247	0.2
160.01747	0.1
161.02478	1.5
161.04553	0.2
162.02907	0.3
163.04150	0.1
165.01991	0.1
165.05588	1.5
165.12877	0.1
165.64365	0.1
166.05933	0.4
167.03592	0.2
175.02516	0.3
175.03987	0.2
177.05620	0.2
179.03548	0.3
179.05765	0.1
180.04387	0.2
183.13947	0.2
187.07777	0.1
193.05092	0.1
195.06644	1.1
196.06995	0.5
204.06598	0.4
205.05229	0.1
216.07764	0.1
227.08344	0.3
227.12978	0.3
281.06903	0.1
359.15250	0.3
360.15488	0.2
383.71176	0.1
389.18280	0.2
543.24719	0.1
549.23676	0.2
550.23407	0.2
551.25287	0.4
586.22327	1.0
587.24713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
59.01377	1.1
61.98831	100.0
70.93835	0.2
71.01393	0.8
72.99351	0.1
73.02973	0.2
83.01411	0.1
85.02956	0.4
88.98852	0.2
89.02454	0.3
93.03456	0.1
95.01422	0.2
100.60006	0.1
101.02452	0.4
101.06133	0.1
109.12679	0.1
111.00898	0.2
111.64506	0.1
112.92974	0.1
113.02480	0.3
117.03477	0.2
119.03554	0.1
121.02985	0.2
123.04546	0.1
125.02454	0.4
128.03584	0.2
132.02232	0.2
133.02971	4.0
133.80222	0.1
134.03563	0.2
135.04541	1.1
136.04868	0.1
137.02477	0.2
143.04648	0.1
145.03003	0.1
147.04601	0.1
147.06619	0.2
149.02461	0.1
150.03186	0.1
158.06166	0.2
160.01631	0.2
161.02460	17.2
162.02789	1.4
165.05507	0.2
175.02562	0.2
175.04016	0.2
177.05547	0.2
179.03471	0.9
180.03889	0.1
187.07739	0.2
190.05899	0.1
195.06662	0.1
204.06618	0.3
205.04958	0.1
209.11864	0.4
221.04399	0.1
257.08008	0.1
281.06680	0.1
285.03979	0.2
306.07593	0.3
321.81396	0.1
325.58524	0.1
383.57059	0.1
549.23383	2.1
549.31232	0.1
550.23761	2.9
551.24872	10.5
568.12244	0.2
569.25122	0.1
586.12952	0.2
586.21863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
58.02965	1.6
59.01379	4.8
61.80231	0.6
61.98835	27.0
63.99258	1.7
65.43922	0.6
69.50550	5.8
71.01385	2.2
73.02955	1.0
73.03735	0.8
73.04071	4.7
74.02467	0.9
80.05026	0.6
82.02979	0.6
82.06637	0.9
84.04575	3.1
85.02956	2.0
87.05647	8.4
88.04052	1.2
89.02473	1.5
97.04084	2.2
98.02507	2.3
101.02461	2.3
102.05624	29.3
106.02494	0.6
109.04082	1.0
110.02489	1.7
111.00886	3.2
112.07655	0.7
113.02433	1.0
113.03587	0.7
113.42493	0.7
115.05154	14.7
125.02469	1.0
125.07225	1.4
126.06757	9.4
128.03560	81.1
129.03912	2.1
129.10365	3.7
130.08765	21.2
133.05136	3.2
134.03746	5.3
135.04170	2.1
137.02405	0.8
139.08801	1.1
140.07191	3.7
141.06656	0.7
144.07822	8.6
145.02956	0.8
146.04625	25.2
146.08269	1.3
149.02429	0.8
149.06088	1.4
150.03252	3.8
151.03943	2.1
153.10335	1.4
154.12373	0.7
155.08310	1.2
155.11890	3.1
161.02422	1.7
164.14462	1.0
165.05669	3.4
165.06934	0.7
166.06001	0.8
168.07808	20.0
168.09021	0.9
169.06197	0.9
171.15086	5.9
178.02748	3.0
178.11113	0.7
179.03206	1.8
181.05022	1.1
182.12994	1.8
183.11415	2.1
186.08870	13.1
186.50836	0.6
187.09274	0.8
193.05077	7.5
194.05440	3.5
195.06638	1.9
197.13068	0.8
197.16597	1.0
199.18137	2.1
207.06787	0.8
207.14981	1.5
208.13474	1.6
215.14018	3.2
218.10394	3.2
224.17671	0.8
225.16136	2.6
230.11574	0.8
239.15189	0.7
241.12029	1.3
242.18803	1.0
243.17183	1.2
252.20868	1.7
255.86322	0.6
259.13019	1.1
270.21838	4.4
281.16373	0.6
284.23508	0.9
295.21414	1.1
297.25681	0.7
300.15894	1.4
314.20929	2.1
315.21362	0.8
317.99908	0.6
327.24100	1.5
328.22229	1.3
329.10214	0.7
351.23947	0.7
355.27124	1.3
399.26169	4.2
411.69879	0.6
413.24063	22.4
414.24286	2.3
438.14005	0.7
439.25668	1.4
443.25131	0.8
456.28455	0.7
457.26700	12.6
458.26880	2.5
493.94846	0.7
498.29294	1.5
542.28278	49.3
543.28943	6.9
568.19031	1.2
568.29828	1.8
582.07947	0.7
586.30994	100.0
587.23810	2.6
587.31689	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18596	1.1
57.03431	2.8
59.01089	1.9
59.01380	30.7
60.54675	1.0
61.98835	29.1
66.07865	1.2
69.03448	3.3
71.01392	21.5
71.42320	2.4
72.99300	3.7
73.02956	7.9
75.00872	10.9
83.01374	2.7
83.05025	1.6
85.02964	16.2
87.00893	5.0
88.98791	0.9
89.02444	9.3
95.01390	4.5
99.00903	6.4
99.04534	2.3
101.02469	10.7
103.00397	1.1
111.00892	2.1
113.02470	19.6
116.92902	1.0
119.03505	2.8
121.52545	1.0
125.02462	1.3
129.01929	2.2
131.03500	1.0
143.03535	2.0
155.03520	1.0
161.04544	5.1
172.07510	1.2
175.02493	2.1
179.05592	3.6
221.06641	2.9
231.05020	1.9
247.17009	1.2
249.06108	9.5
262.14432	4.7
263.07581	2.1
267.07111	2.2
335.22275	7.5
337.23752	2.8
365.58191	1.2
525.26978	2.9
541.30090	1.6
543.28235	9.4
544.28192	1.6
567.28333	2.0
585.29150	100.0
586.29413	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	585.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03447	4.1
58.00586	0.4
59.01377	10.2
60.99308	0.5
61.98829	12.3
67.01882	0.8
68.99813	1.2
69.03462	3.2
71.01385	12.6
71.05013	1.1
72.99313	3.9
73.02935	2.1
75.00875	11.9
81.03434	0.4
83.01391	1.1
83.05031	2.1
84.02189	0.4
85.02435	0.6
85.02961	12.7
87.00883	4.4
87.04595	0.3
88.86440	0.3
88.98812	2.2
89.02454	2.7
91.04043	0.5
93.03490	0.6
95.01390	2.9
97.02930	0.3
97.06583	0.8
99.00890	6.0
99.04523	1.3
101.02457	1.2
103.00385	1.2
107.05019	0.7
109.02972	0.5
111.00893	1.3
112.01674	0.4
113.02462	13.8
113.03248	0.7
115.00376	1.3
117.01977	1.6
119.03499	0.4
119.08674	3.4
121.02977	0.3
121.06585	0.4
121.66260	0.3
125.09696	0.7
129.01953	1.0
130.99889	0.5
131.03514	0.4
135.04529	0.5
135.08159	0.5
137.09735	11.5
137.10788	0.6
138.10016	0.6
139.00330	0.3
141.22136	0.3
143.64096	0.4
153.09253	0.8
153.12909	0.4
157.01427	0.6
161.02432	0.5
163.07718	0.6
167.03490	0.7
175.02498	1.5
178.15501	0.3
179.05630	0.3
181.08707	2.0
181.12335	0.4
189.04042	0.6
203.18051	0.7
231.05096	1.2
249.06157	13.0
249.08752	0.6
250.06598	0.6
267.07190	4.5
301.30579	0.3
317.20840	0.5
335.22293	11.1
336.22656	1.6
473.42697	0.4
567.28156	1.9
568.28680	0.4
585.29175	100.0
586.29456	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	585.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91894	0.2
61.98832	100.0
62.98537	0.3
71.72142	0.2
76.66248	0.2
78.95909	0.8
152.99622	0.7
269.24841	0.3
283.26508	1.5
284.26874	0.5
285.27316	0.3
315.77557	0.2
508.34155	1.2
511.34882	0.9
585.30487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44626	0.3
59.01404	0.6
61.98840	1.9
62.85675	0.3
66.46127	0.3
67.93151	0.3
70.52061	1.1
78.95923	1.1
96.96060	0.6
96.96983	2.9
97.06606	0.6
99.00897	1.4
99.92603	24.4
100.92622	1.4
100.93381	1.4
113.92659	0.4
115.92097	47.3
116.89951	0.6
116.92139	2.5
116.92878	37.9
117.92884	1.8
117.93639	0.6
123.08209	0.4
125.09756	4.6
132.92365	0.6
144.72397	0.3
171.10339	1.7
175.72270	0.3
187.09781	2.9
261.13419	0.5
415.23093	0.7
423.28842	0.8
431.22784	0.9
434.34558	0.3
438.30984	0.4
439.31940	0.5
457.16843	0.4
485.32816	1.2
493.24063	0.4
523.25220	0.9
529.42987	0.4
537.22668	0.8
539.24652	1.5
540.25110	0.4
541.25964	0.4
552.21832	1.3
555.24255	11.5
556.24536	3.0
567.24347	2.6
568.24261	0.5
569.22137	1.5
570.23047	0.9
585.25238	100.0
586.25525	24.4
599.23346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34494	0.4
59.01375	1.3
61.98835	6.1
63.97039	0.5
71.71043	0.6
73.57220	0.5
76.59175	0.4
77.52435	0.4
78.95927	0.6
83.05064	0.4
96.96038	0.8
96.96989	1.6
99.00909	0.8
99.92601	48.5
100.92616	2.5
100.93378	1.2
114.94955	0.9
115.92099	44.4
116.92152	2.0
116.92880	40.7
117.92877	1.6
132.92403	0.4
141.93674	0.4
142.94444	0.7
169.96773	1.6
186.97060	1.0
195.10620	0.4
195.98367	0.9
209.11891	0.8
388.13284	0.7
439.32498	0.6
442.14615	1.3
457.17068	3.4
485.32727	3.1
496.19455	2.2
497.19299	0.5
509.23657	0.5
527.24744	1.0
529.22638	0.5
537.19592	1.7
539.24725	3.1
555.24268	1.1
557.25861	7.2
558.25946	1.7
570.22949	1.1
571.24164	0.9
585.25317	100.0
586.25641	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	585.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98831	5.3
68.74545	0.4
71.70879	0.5
71.71244	0.4
78.95927	0.6
82.52271	0.3
96.97003	0.9
99.92600	12.6
100.92636	0.9
100.93389	3.0
112.28177	0.4
113.92655	0.4
115.92097	100.0
116.92111	5.4
116.92889	3.7
125.09811	0.4
126.48293	0.3
132.92401	1.2
144.92346	0.4
152.19160	0.3
182.76637	0.3
201.52008	0.3
242.53229	0.3
314.00427	0.4
325.92517	0.4
437.30319	0.5
485.32742	2.7
486.32135	0.5
487.33453	0.4
514.13159	0.3
515.17261	0.4
567.24487	0.9
585.25232	62.8
586.25635	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14320	0.3
61.49509	0.3
61.98820	0.6
62.33748	0.3
65.00978	0.3
65.74667	0.3
69.42281	1.0
69.42708	2.3
69.54717	0.3
71.05011	0.3
72.75450	0.3
77.45660	0.3
78.95905	0.4
80.65260	0.3
96.96037	0.6
96.96973	0.7
98.95620	0.7
99.92600	19.5
100.92644	0.8
100.93391	2.7
115.92094	46.6
116.92136	2.3
116.92876	29.2
117.92906	1.5
132.92387	0.5
142.94818	0.3
169.96758	0.3
365.21652	0.4
423.29050	0.9
432.89566	0.4
439.32147	0.8
443.49759	0.3
457.16721	0.3
485.32758	0.6
523.25256	1.1
537.23547	0.7
539.24738	3.0
540.24951	0.8
541.26538	0.4
552.22046	0.8
553.22723	0.5
555.24164	9.2
556.24219	1.4
567.24255	6.3
568.23920	1.5
569.22351	2.2
570.22540	0.5
581.22089	0.4
585.25299	100.0
586.25574	23.5
599.22986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26263	0.9
60.99009	0.9
60.99282	4.7
61.98834	100.0
70.86449	2.0
70.86820	2.1
81.74949	0.9
84.00919	78.6
85.01252	1.5
98.13265	0.9
115.74680	1.1
142.70200	1.1
153.89374	1.0
194.55324	1.1
218.09573	1.0
305.11069	1.2
405.25391	1.2
423.32632	4.3
499.34268	22.7
500.34494	4.5
584.32086	94.3
585.32434	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	584.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34683	0.0
58.00588	0.1
59.01377	0.7
61.98834	100.0
62.98536	0.2
71.01009	0.1
71.01385	0.4
72.99326	0.1
73.02987	0.1
83.01388	0.1
85.02975	0.3
87.00909	0.1
89.02471	0.2
94.93309	0.0
95.01434	0.1
99.00867	0.1
101.02476	0.2
109.03004	0.1
111.00915	0.2
113.02486	0.2
120.91734	0.1
123.04522	0.1
125.02499	0.2
131.03508	0.1
131.46967	0.1
133.03001	0.2
135.04608	0.3
136.04895	0.1
143.03792	0.1
149.02428	0.1
149.06126	0.1
150.03249	0.3
150.06554	0.1
151.00470	0.1
151.03642	0.1
154.08842	0.1
159.23564	0.1
160.01750	0.1
161.02483	0.6
161.04587	0.1
162.02896	0.1
165.05614	0.5
166.05937	0.1
167.03627	0.1
175.04074	0.1
177.05650	0.1
179.03494	0.4
180.04024	0.1
195.06656	0.3
196.06966	0.1
221.04669	0.2
251.05801	0.1
264.86087	0.1
274.43484	0.1
281.06729	0.2
341.08719	0.3
342.09293	0.1
409.43369	0.1
523.35297	0.1
524.28064	0.1
524.35406	0.2
547.22015	0.1
548.22211	0.1
549.23761	0.1
584.26544	0.1
584.34540	0.1
585.28223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03839	0.5
61.98835	100.0
71.70952	0.7
71.71411	0.9
73.24429	0.6
75.43755	0.7
78.95958	1.0
88.10389	0.6
152.99568	0.7
158.31668	0.6
200.95857	0.6
266.61472	0.7
307.91702	0.6
499.34354	13.2
500.34592	2.0
584.32080	73.1
585.32434	13.5
607.44440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99829	0.1
51.91422	0.1
59.01377	0.4
61.98832	100.0
62.98523	0.2
69.38148	0.2
69.38567	0.8
71.01401	0.3
73.02945	0.2
80.54343	0.1
89.02462	0.1
101.02484	0.2
109.42116	0.1
111.00897	0.1
135.04567	0.2
147.90775	0.1
161.02487	0.3
165.05624	0.1
177.05621	0.1
179.03543	0.3
251.05804	0.1
281.06924	0.2
293.10965	0.1
319.89157	0.1
341.08914	0.3
342.09225	0.2
456.10757	0.1
523.34827	0.1
524.34857	0.5
547.21759	0.1
548.22192	0.1
585.27539	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	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44384	0.1
54.08787	0.1
58.10055	0.1
59.01383	0.3
61.87984	0.1
61.98833	100.0
62.98539	0.2
70.90047	0.3
89.02472	0.1
134.03775	0.3
149.06108	0.1
150.03297	0.2
157.84167	0.1
165.05620	0.3
178.02791	0.2
179.05817	0.2
193.05090	0.4
195.06506	0.1
217.75253	0.1
240.45447	0.1
298.81369	0.1
457.45435	0.1
484.77417	0.1
498.54407	0.1
538.04956	0.1
585.20587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
57.76112	0.1
58.00583	0.1
59.01381	5.8
59.82611	0.1
60.01706	0.3
61.98833	100.0
62.98532	0.2
69.03461	0.1
71.01389	2.6
72.99317	0.3
73.02950	0.6
83.01407	0.4
85.02953	0.9
87.00906	0.3
88.98823	0.3
89.02444	0.9
93.03483	0.2
95.01418	0.3
97.03009	0.1
99.00898	0.2
99.04513	0.1
101.02457	1.8
107.05010	0.1
108.02182	0.8
109.02974	0.6
111.00870	0.2
113.02475	1.0
115.00402	0.2
116.92858	0.1
119.03506	0.2
119.05121	0.2
121.03004	0.2
122.03777	0.4
123.04567	0.2
125.02451	0.5
128.07179	0.1
129.66122	0.1
131.03546	0.2
133.02980	0.4
134.03793	0.2
135.04558	0.4
137.02505	0.2
143.03546	0.1
147.32220	0.1
149.02484	0.9
149.06149	0.1
150.03250	3.1
151.00414	0.2
151.03656	0.2
152.01190	0.9
153.01991	0.6
159.03073	0.2
161.02470	1.9
161.04521	0.7
163.04022	0.2
164.04836	0.1
165.05585	3.8
166.02744	0.1
166.06013	0.1
167.03499	0.1
168.34087	0.1
175.02527	0.4
175.04083	0.3
177.02061	0.1
177.05608	0.1
178.02757	0.1
179.03496	0.4
179.05702	0.1
179.07138	0.1
180.04327	0.3
187.07750	0.2
189.05685	0.1
190.02785	0.1
190.06447	0.2
191.03612	0.1
193.05164	0.2
195.06639	2.9
205.05110	0.3
205.08696	0.2
215.07285	0.1
281.06857	0.1
359.14890	0.6
361.29587	0.2
371.15265	0.2
472.74915	0.2
495.18832	0.1
523.34900	2.3
524.35150	2.4
525.20276	0.2
536.19409	0.1
537.21576	0.2
549.23413	0.7
553.77887	0.3
554.28375	0.1
585.21942	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	583.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47954	0.4
51.00009	0.4
52.82014	0.4
61.98831	6.6
67.56971	0.4
71.04474	1.2
78.95898	0.9
96.96985	0.9
98.20042	0.5
99.00865	0.4
99.92597	64.1
100.92606	3.2
100.93360	1.7
104.14413	0.4
115.92093	42.2
116.92099	2.4
116.92872	7.4
142.02051	0.4
258.90152	0.4
317.08054	0.5
353.44598	0.4
409.31046	0.7
439.32281	0.8
483.31046	3.8
510.24350	0.6
525.23053	1.2
537.22406	1.1
538.23993	2.0
539.24133	0.5
540.21747	1.5
541.21906	0.6
553.22589	0.8
555.24255	18.8
556.24561	4.2
565.23389	0.5
569.22070	1.3
583.23730	100.0
584.24042	28.0
597.21399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98833	100.0
62.98528	0.1
66.39076	0.1
71.01402	0.1
78.95926	0.3
79.25462	0.1
82.96115	0.3
152.99612	0.5
166.98232	0.1
229.80951	0.1
229.90977	0.1
270.84418	0.1
279.23288	2.2
280.23709	0.8
281.24002	0.4
282.24408	0.2
427.81003	0.1
433.23868	0.1
453.43427	0.1
485.32870	0.3
487.34210	0.2
504.31024	1.0
505.31427	0.3
506.31311	0.1
507.32135	0.4
581.27759	0.6
581.34210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63688	0.1
52.71253	0.1
55.99277	0.1
57.03460	0.2
59.01381	2.1
60.32631	0.1
61.98833	100.0
62.98541	0.4
63.99254	0.2
64.96151	0.1
71.01389	1.4
71.71503	0.2
72.19794	0.1
72.99328	0.2
73.02959	0.4
81.03467	0.1
83.01421	0.3
83.05077	0.1
85.02949	0.8
87.00897	0.1
89.02448	0.6
93.03516	0.1
95.01395	0.1
101.02460	0.8
104.62903	0.1
109.02946	0.1
111.00877	0.7
111.05638	0.1
113.02455	0.7
119.03530	0.2
119.05087	0.1
121.02995	0.1
125.02502	0.3
133.03017	0.5
134.03795	0.2
135.04535	0.3
137.02539	0.2
139.04066	0.3
150.03325	0.2
151.00410	0.2
160.01640	0.2
161.02464	1.9
161.04594	0.2
162.02887	0.1
165.05605	0.5
167.03595	0.1
169.05090	0.6
175.04080	0.1
179.03532	0.3
195.06599	0.2
281.06769	0.2
331.10370	0.1
361.29523	0.2
391.15952	0.1
515.25183	0.2
519.18677	1.3
520.19116	0.1
522.33752	1.1
523.34979	1.2
538.24274	0.1
582.24219	0.5
583.24597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55026	0.2
53.65110	0.2
54.77417	0.2
57.01691	0.2
59.01383	20.0
61.90916	0.2
61.98823	0.8
69.48029	0.2
71.01382	0.2
71.04791	0.2
71.71085	0.2
72.47282	0.2
78.95911	19.4
80.96526	1.4
115.92101	0.3
122.98581	0.4
124.45043	0.2
152.98540	0.4
152.99626	2.8
168.04326	3.2
179.89325	0.2
180.90089	0.3
209.42139	0.3
224.06950	8.4
225.00677	0.3
225.07251	0.2
242.07957	1.6
265.25363	0.3
283.26431	100.0
284.26782	10.5
284.29999	0.4
345.32843	0.3
352.10110	0.2
440.55032	0.2
487.91992	0.3
508.34073	73.0
509.34399	11.9
510.36157	0.3
582.30341	2.2
583.19995	0.7
583.30450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23917	0.3
57.03455	2.2
59.01084	0.6
59.01382	10.3
61.98836	16.8
63.99250	0.4
70.13212	0.3
70.54990	1.3
71.01386	6.8
72.99313	0.8
73.02962	1.3
74.02522	0.4
75.00874	0.4
78.95914	1.4
83.01401	1.4
85.02959	2.8
85.04088	0.5
87.00873	0.8
88.98844	0.7
89.02449	3.1
93.57565	0.4
95.01399	1.1
99.00895	0.8
101.02451	3.1
107.05131	0.4
108.02169	0.4
109.02945	0.5
111.00904	1.1
112.16585	0.3
113.02474	3.1
116.05091	0.5
117.03480	1.8
119.03532	0.9
119.05042	1.2
121.02966	0.9
123.04523	0.8
125.02456	1.5
129.10355	0.7
131.03569	0.4
132.02199	13.2
133.03030	3.2
134.03766	22.3
135.04605	2.3
137.02481	1.3
139.00404	0.5
139.04073	2.1
142.06647	1.9
145.02991	0.4
147.04536	1.4
148.01738	0.4
148.05328	0.5
148.07625	0.3
149.02394	0.4
149.06105	3.8
150.03210	0.9
151.00389	1.5
151.04056	0.5
153.01976	0.4
158.03731	0.5
160.01685	68.1
161.02277	4.6
161.04640	0.6
162.03152	0.4
163.04047	0.8
165.05612	1.0
167.03505	0.6
169.01428	0.5
169.05135	3.4
173.06052	0.4
175.04034	72.4
176.01170	1.2
176.04564	6.3
177.01942	1.6
177.05478	0.8
178.02716	1.3
179.03592	2.2
180.06718	0.9
186.05656	0.9
191.03561	1.0
191.07166	7.1
192.04260	0.5
192.07484	0.3
193.05095	25.6
194.05414	1.8
203.39455	0.3
204.06700	1.8
207.03450	0.3
207.06641	2.1
217.05058	0.5
220.03897	0.4
221.04430	0.6
235.06128	13.2
236.06473	1.4
246.07887	0.6
255.02748	0.4
265.07230	2.1
266.11938	0.6
271.02469	0.3
272.02902	0.4
273.03052	0.5
286.27078	0.3
295.08374	2.3
300.02771	0.9
302.03439	1.0
319.17535	0.4
339.07297	0.4
443.19354	0.8
473.20084	0.5
509.24255	1.0
510.24222	0.4
521.33337	2.0
522.33398	0.6
537.23279	0.9
581.26099	100.0
582.26465	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	581.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
57.27885	0.7
58.00608	2.1
58.19939	0.6
59.01381	49.3
61.53350	0.6
61.98833	100.0
62.98538	0.6
67.92393	0.6
71.01387	35.2
72.01720	1.5
72.99328	3.3
73.02961	1.7
83.01405	1.8
83.36484	0.6
85.02966	5.3
87.00900	2.8
89.02456	45.4
90.02795	0.8
95.01421	2.5
98.20619	1.8
101.02458	18.4
101.03076	1.3
102.02787	1.0
113.02469	13.6
116.05097	2.3
119.03522	17.7
120.03896	1.1
125.02496	1.0
131.03580	1.6
133.03055	1.2
134.03796	0.9
135.04570	1.3
137.02492	1.2
142.06642	54.8
143.03592	4.1
143.07013	4.0
145.03078	1.2
148.01750	0.9
149.02502	0.8
149.04553	1.8
150.03268	1.2
151.04007	0.8
158.06099	6.6
160.01714	2.2
161.02478	1.9
161.04578	4.3
164.04904	0.7
175.04053	2.6
176.01184	4.2
179.05641	13.5
185.69341	0.7
186.05617	28.7
187.05988	2.3
190.02757	1.0
191.03522	4.0
193.05115	1.9
203.12921	1.0
204.06673	39.8
205.05298	1.3
205.07065	3.7
226.58170	0.7
241.08804	0.8
246.07697	31.1
247.08109	2.5
255.03050	1.2
255.10330	2.8
256.03351	1.0
266.05835	0.8
270.12637	0.9
271.02539	1.5
272.02884	1.7
273.03067	1.2
283.09793	13.2
283.12723	1.1
284.10123	1.2
295.09799	1.9
296.10550	1.0
297.11362	0.8
298.12274	1.3
300.02893	3.0
301.03143	2.0
302.03220	3.4
310.08722	0.8
310.12314	1.1
311.09262	29.1
312.09521	3.2
325.10703	4.0
326.11588	19.3
327.12027	2.9
337.09149	0.8
341.13974	29.4
342.14316	4.4
419.16318	1.0
450.00168	0.8
521.33685	0.8
533.16718	2.0
569.90790	0.8
581.14526	5.8
581.25757	3.6
581.31470	5.1
582.26190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01719	1.8
61.98835	0.8
65.30200	0.6
72.99322	1.9
98.20747	1.0
101.02474	0.7
108.17154	0.5
116.05087	3.6
116.92882	1.8
121.02972	1.7
128.05113	0.9
130.06680	1.5
142.06653	87.2
143.06999	4.5
145.02953	1.0
146.03548	0.6
147.04552	1.0
149.02458	2.6
158.06149	9.7
160.01668	1.3
161.02470	1.6
162.03265	1.7
164.04823	1.4
165.05533	0.9
175.00418	1.1
175.03998	2.2
176.04753	0.6
177.02002	0.8
177.05592	0.9
186.05632	42.9
187.05934	4.0
190.02791	3.3
191.07240	0.7
192.04469	0.7
193.05072	1.8
195.06619	1.0
204.06685	65.1
205.05058	3.2
205.07007	5.8
208.03799	0.6
223.06126	3.4
235.06042	0.8
246.07721	43.3
247.08131	4.3
265.07242	3.2
269.08212	7.5
270.08612	0.8
281.08270	1.2
283.09808	2.9
295.08075	1.1
299.09271	4.9
311.09253	7.2
312.09509	1.1
314.11581	12.8
315.11923	1.4
325.09143	0.6
326.11612	7.4
327.12006	1.6
329.13977	43.3
330.14175	5.7
341.13983	26.2
341.17239	0.5
341.18155	0.8
342.14255	3.5
389.16064	1.3
401.41586	0.6
420.93503	0.7
563.17749	2.7
564.17535	0.7
581.18958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88700	0.4
51.24999	0.4
59.01382	100.0
59.15945	0.4
59.26105	0.4
60.01707	1.2
61.98832	1.2
71.01417	0.8
71.88483	0.4
72.99322	1.9
76.30497	0.4
101.02480	0.7
116.05075	2.8
116.92861	1.1
117.03508	0.6
117.92926	0.6
119.47169	0.4
121.03013	1.4
130.06686	0.8
134.03777	0.9
135.04564	0.8
139.50075	0.4
142.06644	70.3
143.06985	4.5
145.03009	1.6
147.04520	1.3
149.02432	2.6
150.03198	0.8
158.06145	8.6
160.01727	0.9
161.02446	2.0
161.04553	0.7
162.03255	2.2
163.04074	0.7
164.04814	1.8
165.05576	1.1
175.00398	1.2
175.04010	1.6
177.01955	1.4
177.05597	0.7
179.03584	0.5
179.07213	0.7
186.05629	34.9
187.05959	2.9
190.02711	4.7
191.03508	0.6
191.07063	0.7
192.04184	0.6
193.01479	0.5
193.05084	1.4
195.06676	0.9
204.06670	57.2
205.05057	4.0
205.07011	4.5
205.08643	1.0
206.05803	0.9
206.78064	0.4
208.03745	0.5
210.35934	0.5
221.08241	0.8
223.06090	4.2
230.83150	0.9
235.06125	1.0
246.07709	37.3
247.08078	3.1
255.10323	0.9
265.07135	3.8
269.08209	8.3
270.08496	0.8
281.08240	1.3
283.09714	3.6
295.08276	1.8
298.12128	0.5
299.09351	5.8
300.09296	0.5
310.12201	0.5
311.09247	6.8
312.09760	0.8
314.11606	11.6
315.12009	1.7
325.09857	1.7
326.11618	8.0
327.12054	1.2
329.13959	48.6
330.14285	6.1
341.13937	28.2
342.14282	2.5
359.15115	1.0
389.16110	1.6
563.17755	3.8
564.18085	0.7
581.18561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2242
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01867	2.4
57.03450	1.3
58.00577	1.1
59.01378	26.8
67.46455	0.6
69.47482	6.0
71.01389	16.9
72.99318	1.7
73.02954	3.4
83.01388	3.9
85.02950	6.4
86.00143	0.6
87.00886	2.2
89.02454	10.6
95.01390	1.5
99.00893	2.1
101.02460	12.9
113.02477	4.4
115.04050	2.2
119.03538	4.9
123.00904	6.5
124.01653	2.4
125.02422	1.1
129.01912	0.9
134.03773	1.6
137.02412	0.9
138.03244	13.6
139.04025	2.7
142.06644	2.9
143.03502	1.8
149.02460	1.3
150.03201	2.5
153.05600	10.3
159.04564	0.8
161.04628	1.5
165.05588	2.1
175.04034	1.2
175.07684	1.1
186.05641	1.3
187.04080	3.1
188.04720	1.0
189.05588	1.0
193.05109	1.8
195.06606	0.8
202.06319	3.2
203.07156	2.7
204.06735	2.1
205.04958	0.9
206.05809	0.8
208.03748	0.7
217.05022	0.9
221.08125	1.3
223.06061	0.8
233.08176	9.7
246.07739	2.0
257.96329	0.7
258.05576	0.8
283.33646	0.8
295.06091	0.8
313.07141	2.3
313.42081	0.6
314.07663	0.7
325.07080	0.8
326.08054	0.8
327.08521	1.6
328.09418	0.9
329.06766	1.3
329.10538	1.1
329.13791	4.4
340.09625	1.3
341.06531	0.7
341.10297	2.2
343.08051	1.4
343.11908	1.1
344.09015	1.7
349.09705	0.7
355.11917	2.6
356.08859	1.2
356.12784	0.7
358.10602	5.0
359.11270	7.8
359.15146	1.2
367.10559	1.1
371.11221	5.9
372.11966	0.9
373.12921	11.5
374.13385	1.3
386.13840	2.1
387.14032	0.8
389.12393	4.5
390.13211	0.9
401.16046	4.8
404.14813	6.2
405.15186	3.5
419.17142	26.4
420.17358	4.3
566.20514	3.4
581.22479	100.0
582.22815	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	581.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01086	1.0
59.01382	20.0
61.98816	2.3
69.87143	0.5
69.92757	0.8
69.93169	2.7
71.01391	4.5
72.99318	0.7
73.02950	0.7
75.00871	0.5
81.03476	0.9
85.02962	2.5
86.06190	0.6
87.00896	2.3
89.02464	3.3
89.51234	0.5
95.01418	1.4
96.96027	1.3
97.03049	0.6
99.00894	0.5
101.02451	3.2
109.02980	1.0
111.00923	0.5
113.02461	3.4
119.03539	1.3
121.02971	1.5
123.00909	16.1
123.04538	1.3
124.01252	0.7
125.02493	1.7
127.63952	0.6
137.02502	4.0
138.03258	31.5
139.00342	0.8
139.03578	1.1
148.25826	0.5
153.05606	15.2
154.05916	0.7
161.04617	0.8
165.01949	1.3
166.99884	8.1
167.03566	1.5
175.02417	0.7
181.01450	3.1
182.02242	34.6
183.02623	1.8
195.06703	0.8
196.03799	2.2
197.04576	100.0
198.04947	6.0
211.06119	2.1
224.03229	3.4
239.03299	1.2
239.05626	17.8
240.05984	1.6
257.04599	1.5
261.41397	0.7
269.06711	2.5
299.07819	2.8
348.31720	0.6
359.09863	71.6
360.10147	7.6
383.09946	0.6
418.25037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.183
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
53.57002	0.7
53.65855	0.7
61.98834	9.9
69.59901	7.2
71.01354	1.2
73.41003	0.8
78.95910	100.0
81.54514	0.7
96.95991	1.0
96.96969	6.6
98.19969	1.2
99.92587	12.5
100.92726	0.8
100.93374	2.0
109.32761	0.9
115.92095	41.0
116.92100	2.1
116.92874	29.9
117.92881	1.3
150.98036	5.0
152.99611	26.4
155.95262	1.9
156.96054	0.9
163.89749	1.3
164.54979	0.9
164.90489	2.3
171.00662	13.8
171.94586	0.9
172.95497	7.5
178.88408	5.3
179.89241	40.9
180.90056	28.8
181.90762	3.0
194.87869	1.0
196.89505	59.3
197.89496	4.1
204.89996	1.9
205.90750	5.4
206.91531	2.9
208.89499	2.7
209.11829	1.3
212.89056	1.0
216.07227	0.9
218.91513	0.9
219.92343	1.7
221.90294	3.0
225.22266	0.8
234.91064	2.1
235.91843	11.8
236.92618	27.6
237.92834	2.0
252.92085	2.8
253.93040	0.9
270.93137	2.3
276.95889	1.3
278.93683	3.7
292.95212	3.1
296.23428	1.1
309.95444	2.1
310.96283	7.1
326.95740	1.4
473.14133	4.9
481.25836	1.4
490.14273	4.7
491.14178	1.2
507.34183	1.0
515.14923	1.1
533.15887	4.3
545.16254	6.4
546.16229	1.2
563.16980	6.7
564.17560	1.9
581.18304	82.4
582.09430	1.1
582.18646	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	581.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81887	0.4
55.01870	0.4
57.03445	0.8
59.01382	22.4
61.98834	32.1
63.99267	0.6
68.99829	0.8
69.44561	5.5
71.01402	5.2
72.99301	0.9
73.02965	1.4
75.00862	0.7
81.03467	3.6
83.01392	5.6
83.05054	0.6
85.02965	3.9
87.00887	0.8
88.98839	0.7
89.02449	1.8
93.03474	10.0
95.01408	1.1
95.05060	2.7
97.02980	1.8
98.20698	0.8
99.04547	1.1
101.02435	3.4
103.01913	0.7
105.03490	2.4
107.01432	0.9
108.02161	0.7
111.00889	3.2
111.38265	0.5
113.02460	2.4
119.03532	1.5
119.05046	13.5
120.05382	0.7
121.02947	2.8
123.00860	0.7
123.04537	4.2
125.02460	7.6
131.01385	2.0
131.03470	0.6
132.42343	0.5
133.02951	0.9
133.81483	0.5
135.04527	1.2
137.02452	1.7
137.06123	2.9
139.04037	1.3
142.06631	0.6
145.02971	1.8
147.04494	2.7
148.01640	0.5
149.02469	20.5
149.99702	0.5
150.02794	1.1
153.01923	0.5
158.06067	0.5
160.01601	0.6
161.02423	3.2
161.04630	0.9
161.06007	0.9
163.04033	7.3
164.04417	0.8
165.01935	0.7
165.05594	2.9
167.03520	13.8
168.00739	1.2
168.03810	0.5
169.01549	0.5
173.00995	1.0
173.02475	2.1
174.00333	0.6
175.00375	9.2
175.03949	1.1
176.00980	0.5
177.05588	0.9
179.03496	2.8
187.04059	0.6
187.07854	0.6
189.05579	4.3
190.02730	1.8
191.03520	100.0
192.03885	4.7
193.05067	1.2
197.04500	0.7
203.03532	7.7
204.04161	1.6
204.06625	1.1
205.05061	4.7
209.04517	4.5
217.05054	0.6
221.04552	1.7
233.04556	18.3
234.04871	1.4
239.05460	0.7
245.04567	1.4
269.08258	0.7
273.07681	4.9
279.06717	1.0
297.07700	94.2
298.08035	9.5
301.03165	0.7
302.03317	0.6
311.09305	1.7
315.08759	35.0
316.09042	3.6
323.09219	0.7
327.08734	1.6
339.08749	30.1
340.09100	3.4
345.09784	9.1
346.10110	0.7
357.10416	0.6
399.11002	1.2
417.11951	12.9
418.12378	1.9
435.06973	0.7
435.12961	11.8
436.13315	1.8
461.12415	1.1
461.30554	0.6
521.29144	0.6
563.15948	0.7
581.15698	2.8
581.26233	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	581.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65602	0.5
50.77831	0.6
54.12308	0.6
57.03450	1.3
59.01382	42.7
60.01745	1.2
61.98833	6.7
65.48766	0.6
71.01393	3.5
71.30855	1.4
72.99312	6.6
73.02953	1.4
81.03476	0.7
85.02967	1.9
87.00913	1.2
89.02460	1.8
93.03491	0.9
95.01479	0.6
99.92625	1.1
101.02454	1.2
109.02975	0.7
111.00912	1.3
111.02031	6.0
113.02509	1.8
116.92881	12.6
117.01975	1.8
117.03462	0.7
119.05053	5.4
121.03053	1.1
123.04556	6.9
125.02510	1.7
129.01981	0.9
132.02196	0.8
133.02957	0.7
134.03772	8.3
135.04544	0.8
135.21135	0.6
137.02489	2.4
140.03342	0.6
142.06656	6.1
143.03532	0.6
147.04549	100.0
148.04880	5.3
149.02492	1.3
149.06097	2.3
150.03253	4.5
151.04059	0.9
158.06174	1.1
160.00497	1.0
160.01628	4.4
161.02483	2.1
163.04008	0.8
165.01959	5.0
165.05594	85.9
166.05917	4.3
167.03514	19.9
168.03792	1.0
175.04030	4.5
176.04803	2.2
177.01981	1.0
178.02725	3.8
179.03514	2.0
180.04298	3.6
181.05066	1.6
182.36182	0.6
186.05676	3.2
191.03519	5.3
191.05486	1.2
191.07161	2.0
192.06709	0.8
193.05090	15.7
195.06651	6.6
204.06755	6.1
207.06648	63.3
208.07016	4.5
209.04590	1.4
210.05333	1.0
225.07733	3.9
235.06166	4.6
236.05630	1.9
246.07790	4.2
265.07211	1.1
268.16190	0.6
281.09308	0.8
295.08371	1.4
308.38281	0.7
329.08743	8.8
330.09106	1.3
335.27005	0.8
341.10266	1.8
371.11386	0.8
419.11130	2.5
451.05487	0.7
463.21640	0.8
469.13513	3.5
518.14227	0.7
581.18134	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	581.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01385	5.8
60.99306	0.4
61.98834	19.4
62.53061	0.3
65.00346	0.5
68.09130	0.3
68.99832	0.3
69.46632	0.3
69.48876	2.8
71.01393	3.1
72.99339	0.7
73.02946	0.8
75.00873	0.6
79.71635	0.3
81.03468	1.9
83.01402	4.0
85.02960	2.4
86.05119	0.2
87.00901	0.4
88.98815	2.0
89.02473	1.2
93.03471	7.2
94.03828	0.5
95.01418	1.0
95.05033	0.7
97.02956	0.5
98.20610	0.6
98.71082	0.3
99.00862	0.3
99.04508	0.5
101.02468	2.0
105.03480	2.7
107.01429	0.6
108.02192	1.2
109.02976	0.7
111.00912	2.4
113.02456	1.1
119.03696	0.4
119.05046	8.7
120.05390	0.5
121.02979	2.0
123.04546	2.0
124.01704	0.4
125.02480	3.1
129.02022	0.5
131.01398	2.9
133.03012	0.6
134.03740	0.4
135.04558	1.0
137.02452	0.8
137.06088	0.6
139.03976	0.4
142.06590	0.3
145.02959	0.7
145.06570	0.4
147.04532	2.1
148.01695	0.6
149.02466	23.1
150.02881	1.1
151.00360	0.6
151.03970	0.4
152.01160	1.9
153.02036	0.5
160.01669	0.5
161.02469	2.6
161.04573	0.5
161.06131	0.7
163.04033	5.8
164.04521	0.3
165.05583	1.1
167.03519	5.8
168.03952	0.4
169.01462	0.6
173.00995	0.6
173.02469	1.2
175.00395	7.9
175.03989	0.8
176.00778	0.3
177.05577	0.8
179.03525	1.1
180.04019	0.3
189.01991	0.5
189.05603	3.4
190.02750	1.4
191.03528	100.0
192.03877	6.4
193.01430	0.8
193.05110	0.8
203.03529	5.6
204.04170	1.2
204.06644	0.5
205.05077	3.3
206.02426	0.5
209.04556	0.7
215.07152	0.3
217.05046	0.3
219.03148	0.6
221.04623	0.8
233.04561	16.7
234.04906	0.9
245.04588	1.5
245.39496	0.3
269.08115	0.3
273.07648	0.9
279.06696	0.8
297.07693	91.7
298.08047	9.1
311.09149	1.1
315.08725	4.2
316.09460	0.3
316.13135	0.3
327.08759	0.9
339.08755	26.2
340.09073	3.2
342.63922	0.3
345.09906	1.1
346.48148	0.3
369.09692	0.7
399.10867	1.2
417.12018	7.7
418.12152	1.0
435.12839	1.2
461.12341	1.4
518.30524	0.6
519.17676	0.6
521.33136	0.5
537.17139	0.4
581.15997	3.6
581.24634	0.9
582.16669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41370	0.5
59.01377	5.9
69.41351	1.7
69.41819	3.3
72.99320	2.4
77.46339	0.5
85.20719	0.5
92.90970	0.5
95.16966	0.5
113.80135	0.4
116.05083	3.7
125.17552	0.5
128.05087	1.5
130.06660	1.3
142.06644	100.0
143.06978	5.5
158.06126	13.0
186.05620	50.2
187.05942	2.6
202.01410	0.5
204.06670	75.9
205.07011	5.6
246.07704	48.8
247.08064	3.8
271.02524	0.8
300.02695	1.7
301.03079	1.0
302.03317	1.0
391.35291	0.5
394.79892	0.5
415.74466	0.5
455.41931	0.5
541.00836	0.5
580.13904	0.6
581.14008	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	580.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98834	100.0
71.71104	0.3
79.66852	0.2
102.42318	0.2
129.38934	0.2
223.61545	0.2
247.24930	0.2
272.02985	0.3
291.40939	0.2
300.02817	0.6
301.03015	0.4
312.54291	0.2
485.32242	0.5
580.13983	0.6
581.14233	0.4
581.31128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27417	0.3
59.01085	0.6
59.01381	14.6
61.98831	16.8
63.99255	0.7
69.64497	2.5
78.95906	7.1
80.96527	2.9
82.96059	0.4
94.98096	0.7
108.46806	0.3
115.92060	1.0
116.92876	0.7
122.97655	0.4
124.65368	0.3
127.24602	0.3
128.62073	0.3
152.99635	1.8
163.62280	0.3
164.98622	0.6
168.04338	1.2
171.00697	0.3
179.89166	0.5
180.90038	0.7
196.89491	1.3
224.06941	1.0
225.00702	0.7
235.35860	0.4
236.92654	0.5
242.08002	2.9
254.43314	0.3
281.24850	100.0
282.25208	11.7
301.02982	0.3
321.56808	0.3
506.32495	35.7
507.32874	7.1
580.28748	5.9
580.37219	0.5
581.18213	2.1
581.28668	1.0
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
54.15091	0.3
59.01381	1.0
61.98833	100.0
63.08191	0.4
69.43601	3.7
69.62376	0.3
71.86810	0.3
96.96027	0.5
117.55273	0.3
154.42625	0.4
166.86920	0.4
203.71320	0.3
272.02765	0.6
300.02539	0.4
301.03201	0.8
439.31998	0.5
485.32819	2.7
486.33051	0.7
499.31018	0.4
501.32684	0.9
513.60327	0.4
517.31799	1.3
520.33649	0.8
540.29065	0.4
554.77771	0.4
580.14209	1.2
581.27716	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	580.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72881	0.2
59.01385	0.2
61.98835	100.0
62.01792	0.2
62.98511	0.2
63.16563	0.2
69.39502	1.9
70.95131	0.2
78.91941	0.2
80.96497	0.2
82.96096	0.3
97.45594	0.2
106.24044	0.2
108.79485	0.2
130.82863	0.2
195.82208	0.2
272.02795	0.3
300.02771	0.2
301.03085	0.3
412.29144	0.2
447.24719	0.2
467.32297	0.2
484.31680	0.3
485.32690	1.6
486.33295	0.8
580.14252	0.5
580.26727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03444	1.7
58.00589	0.7
59.01381	15.3
60.99302	0.5
61.58418	0.5
61.98832	53.5
67.01888	0.6
69.03469	0.5
71.01389	10.3
72.99303	1.4
73.02956	3.1
75.68786	0.5
81.03452	0.6
83.01403	2.9
85.02963	13.0
87.00905	1.3
87.54652	0.4
88.98843	1.1
89.02443	3.6
93.03448	1.6
95.01399	1.7
96.04648	0.5
97.02982	0.8
99.00883	0.7
99.04530	0.5
101.02451	7.5
108.02201	0.6
109.02985	0.9
111.00892	13.8
112.01219	0.7
113.02457	5.1
116.92875	0.7
117.03518	1.4
119.03510	1.6
119.05051	2.0
123.04527	1.5
125.02476	5.0
126.02789	0.6
129.01955	0.9
132.02211	2.8
133.02982	26.8
134.03809	5.8
135.04555	14.2
137.02490	1.5
142.06621	1.2
145.02934	1.0
145.06679	0.5
147.04535	1.3
148.05363	0.7
149.02466	0.9
149.06113	1.9
150.03207	0.7
151.00381	2.0
151.04018	1.0
152.01146	0.6
153.01942	0.8
154.10933	0.5
160.01678	7.8
161.02469	100.0
162.02812	6.2
163.04007	1.8
165.05560	2.2
167.03496	2.2
169.01425	0.5
175.04022	9.2
176.04730	2.1
177.01942	0.6
177.05617	2.5
178.02774	0.7
178.99940	2.1
179.03523	21.0
180.00122	0.6
180.03932	1.8
189.01889	0.6
189.05623	1.0
191.07179	2.3
192.04149	0.5
193.05081	6.0
194.05518	0.7
195.06671	1.0
203.03529	2.3
204.06706	1.9
205.04990	3.5
207.06659	0.7
217.05112	1.5
221.04576	2.8
233.04449	0.8
233.97598	0.5
235.06111	4.3
236.06415	1.0
245.04630	0.6
246.07704	0.6
251.05534	3.1
255.03020	1.9
255.06639	1.0
256.03326	1.4
256.07101	0.8
257.08127	0.9
265.07208	0.8
269.08182	0.7
271.02383	3.1
272.02853	3.2
273.07669	1.0
281.06567	3.4
295.08188	1.0
300.02753	5.2
301.03098	6.6
302.03476	0.9
311.09167	1.6
323.07553	6.4
324.08282	0.7
337.09326	1.0
341.05167	0.6
341.08807	6.5
355.10226	0.7
359.28168	0.7
400.22131	0.5
417.13287	2.5
447.23035	4.2
447.73523	2.0
457.11279	0.6
459.17950	0.9
460.13919	0.7
461.12268	0.7
473.12607	1.6
484.96399	0.6
517.13501	37.5
518.13831	6.6
519.16779	1.9
521.33356	8.9
528.25769	11.4
528.75818	4.8
529.26099	1.2
550.25281	0.7
562.16364	2.9
563.15912	1.5
579.30432	1.1
580.13757	7.9
580.22681	0.6
580.34821	0.6
581.16565	2.9
581.25470	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	579.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67904	0.1
59.01379	0.3
61.98833	100.0
62.98525	0.2
62.99266	0.1
67.21497	0.1
69.98714	0.3
78.95893	0.4
96.13648	0.1
97.88415	0.1
152.99622	0.4
173.60832	0.1
217.06036	0.1
243.03159	0.1
255.03026	0.3
271.02475	0.4
277.21713	1.7
278.22095	1.0
279.22318	0.4
280.22827	0.3
285.07965	0.1
300.02771	0.9
301.03104	0.1
330.74457	0.1
424.71796	0.1
431.22937	0.1
479.26837	0.1
502.29434	0.9
502.36395	0.1
503.29965	0.3
504.30112	0.1
505.30252	0.5
579.13440	0.6
579.30475	0.4
580.13947	0.2
580.31799	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09111	0.1
59.01371	0.3
61.98834	100.0
62.98535	0.3
67.99006	0.1
78.95911	0.8
93.81110	0.1
99.42184	0.1
108.40508	0.1
110.31585	0.1
124.57320	0.1
141.26053	0.1
152.99590	0.3
229.78746	0.2
251.56378	0.1
253.07898	0.1
255.03070	0.4
271.02429	0.9
272.02872	0.2
277.21735	1.2
278.22165	0.6
279.22449	0.2
280.22757	0.3
300.02777	1.7
301.03275	0.2
357.50717	0.1
431.22012	0.2
483.31323	0.3
485.32877	1.5
486.33282	0.3
502.29324	1.1
503.30042	0.4
504.30508	0.2
505.30478	0.5
579.13727	1.4
579.29858	0.2
580.14471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77277	0.6
59.01380	5.3
61.98832	1.9
65.79562	0.5
69.69594	0.9
69.69930	4.9
71.01387	3.7
79.62079	0.7
83.01385	0.7
85.02956	1.7
86.97382	0.7
89.02448	1.8
95.69744	0.6
101.02486	1.5
103.00411	1.0
103.83222	0.7
107.01398	1.1
108.02200	1.7
109.02971	1.5
111.00912	0.7
112.54316	0.6
113.02470	1.5
116.89377	0.6
121.02977	1.2
123.00892	1.4
123.04558	1.7
124.01653	0.8
125.02477	2.4
135.04549	0.9
137.02464	7.6
142.06616	1.0
147.03288	0.6
148.01686	1.3
149.02460	1.4
151.00392	20.4
151.03987	1.4
152.01059	1.9
152.03635	1.1
152.04807	2.2
153.01973	0.8
161.02484	1.3
161.04590	0.9
163.04007	0.7
165.01910	0.8
166.02740	50.8
167.03532	4.1
170.17133	0.7
175.04007	1.0
177.01945	2.3
178.99892	2.9
179.03539	0.7
181.05087	67.9
182.05354	4.0
190.02940	0.9
190.06392	0.8
191.03484	1.1
192.04274	1.3
193.05023	0.7
194.04639	0.8
203.12918	3.8
204.06715	1.0
205.05083	1.0
205.08705	1.4
206.78288	0.6
207.06599	0.9
221.04677	0.7
223.06104	0.7
226.02895	1.6
227.03583	1.6
243.02997	8.8
244.03275	0.7
245.13924	1.7
254.02228	2.0
255.02985	22.6
256.03226	3.1
257.08179	0.7
271.02469	53.2
272.02817	5.8
299.02023	2.7
300.02768	100.0
301.03204	12.1
359.11264	1.8
387.10800	13.7
387.15424	1.0
388.11237	1.8
402.13199	6.6
403.13486	1.1
417.15555	99.5
418.15906	15.7
579.13568	82.4
580.13861	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	578.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98907	0.1
61.98831	100.0
62.98528	0.2
66.88347	0.1
69.53305	1.3
71.49802	0.1
75.28607	0.1
209.11752	0.2
271.02573	0.2
281.25034	0.2
282.25186	0.3
295.22769	0.2
300.02979	0.2
515.33783	1.7
516.34381	0.5
579.13940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31806	0.3
61.98832	100.0
62.66634	0.2
73.99652	0.2
74.14822	0.2
76.12872	0.2
78.95892	1.7
96.96030	0.9
109.38056	0.3
113.92614	0.4
114.93462	0.6
152.99641	0.3
163.03136	0.3
177.89716	0.3
194.90071	0.7
209.11766	1.2
229.91205	0.3
229.93622	0.3
300.03058	0.6
310.37857	0.3
436.07739	0.3
481.26044	0.3
579.19250	1.1
579.27832	0.3
588.03577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03438	4.7
57.07162	0.5
59.01379	8.0
61.98830	19.5
65.00312	0.8
70.35590	1.5
70.36002	0.9
71.01383	5.7
72.99307	0.8
73.02946	1.6
74.02499	0.6
81.03461	6.0
83.01384	5.2
85.02951	2.9
87.00890	0.6
89.02455	1.7
93.03461	4.5
95.01407	1.2
97.02974	0.7
99.00858	0.6
99.04574	0.7
101.02465	3.7
101.38322	0.5
107.01398	1.4
108.02193	1.2
109.02958	0.7
111.00877	2.9
111.04509	0.6
113.02454	2.2
115.04049	0.8
117.03452	0.7
118.62673	0.5
119.03551	0.5
119.05042	8.2
121.02917	1.0
122.03667	0.6
123.04535	22.8
124.04865	1.7
125.02462	19.8
126.02805	1.1
128.03532	1.5
132.02223	2.5
133.02983	3.8
134.03787	3.6
135.03014	0.8
135.04550	2.8
137.02454	1.0
139.04027	0.9
140.15800	0.6
143.04645	1.2
145.02966	0.8
147.04521	1.8
148.01672	0.5
149.02487	2.3
151.00378	5.7
152.01105	1.7
153.01917	1.2
160.01682	12.1
161.02463	11.0
161.04568	0.8
163.03976	1.3
165.05586	2.0
167.03510	72.1
168.03847	4.0
171.04390	0.5
175.04021	12.9
176.04567	1.3
178.02733	0.5
178.99872	6.1
179.03487	9.3
179.04901	0.8
180.03893	0.5
182.14276	0.5
187.07632	0.7
189.05566	2.3
191.03496	1.4
193.05069	5.4
203.03493	0.8
209.11780	1.3
227.03522	0.8
233.04495	0.9
235.06033	1.4
243.02985	1.8
254.02281	0.6
255.03004	4.6
255.06551	1.0
256.03217	0.8
257.08170	0.5
263.05627	0.5
271.02487	10.3
272.02747	1.0
272.08893	0.7
273.07666	100.0
274.04956	1.1
274.07962	10.5
283.02496	0.9
284.03232	0.7
300.02750	18.7
301.03186	3.1
306.07498	1.2
315.08582	0.6
341.05148	1.3
342.05701	0.6
369.09949	0.9
376.54358	0.6
381.09753	2.1
399.10745	2.8
417.15878	2.3
420.47134	0.5
435.12973	17.0
436.13312	2.7
459.12961	1.8
464.09647	1.5
477.13934	5.4
478.14392	0.9
489.14017	1.8
517.12823	3.7
561.16193	6.9
562.16528	1.6
579.14722	14.3
579.24664	10.9
579.32385	0.9
580.15680	3.5
580.25000	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	578.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33675	0.1
59.01373	0.3
61.98834	100.0
62.98546	0.2
70.92035	0.1
71.71315	0.2
78.95927	0.3
80.96534	0.6
94.98124	0.2
149.34610	0.1
151.00400	0.2
156.55045	0.1
178.79556	0.1
187.58099	0.1
209.11864	0.2
210.12212	0.2
271.02597	0.6
279.23315	1.1
280.23669	0.2
300.02765	0.9
401.06479	0.1
435.31851	0.2
439.32010	0.2
448.55945	0.2
483.31198	1.3
484.31766	0.4
504.30692	0.8
516.40442	0.2
578.27234	0.4
578.35846	0.2
579.13824	0.9
579.28314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21746	0.1
57.80940	0.1
61.98832	100.0
62.98533	0.3
66.16961	0.1
67.43254	0.1
69.51684	0.2
69.52087	1.3
71.01382	0.3
78.98584	0.3
79.95757	0.4
80.96526	2.2
93.39365	0.2
94.98087	0.8
122.97591	0.3
125.02472	0.2
134.97609	0.3
148.99156	0.2
152.98619	0.4
164.98679	0.4
167.18234	0.2
184.71886	0.1
206.99669	0.3
221.37152	0.1
225.00766	0.8
262.86206	0.2
279.23505	0.2
321.98795	0.2
479.93729	0.2
579.28448	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	578.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99078	0.1
61.98834	100.0
62.98534	0.3
68.35387	0.1
69.42359	0.9
69.42780	0.3
69.78679	0.1
71.01384	0.2
78.98608	0.1
80.96519	1.0
90.58440	0.1
94.98109	0.3
102.78802	0.1
120.73145	0.1
131.64847	0.1
164.54359	0.1
164.98701	0.1
169.09647	0.1
225.00818	0.3
229.51463	0.1
249.09509	0.2
271.02570	0.3
277.21790	0.2
279.23291	0.2
300.02817	0.4
453.34268	0.1
505.30206	0.1
579.14063	0.6
579.28406	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	578.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42052	0.3
59.01379	0.9
60.68014	0.3
61.98835	100.0
67.02955	0.3
71.25900	0.4
71.26245	0.7
88.19460	0.3
88.98801	0.4
110.83072	0.3
122.16292	0.3
152.99733	0.3
170.25444	0.3
225.48479	0.3
236.90805	0.3
254.72450	0.3
255.03041	0.5
271.02454	1.5
300.02777	2.0
390.10489	0.3
485.33377	0.4
502.04440	0.3
515.30170	0.6
527.57550	0.4
579.13672	2.3
579.25928	0.5
589.39215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.2
60.18495	0.2
61.98833	100.0
71.01409	0.3
78.98599	0.3
79.95753	0.6
80.48512	0.2
80.96524	3.3
85.02990	0.2
92.61088	0.2
94.98111	0.8
106.98130	0.2
110.35732	0.2
125.02496	0.2
134.97655	0.3
148.99213	0.4
152.98688	0.2
164.98730	0.5
191.27434	0.2
206.99648	0.3
209.11853	0.4
225.00746	1.2
271.02563	0.4
279.23215	0.3
280.23837	0.3
299.04358	0.3
300.02963	0.7
385.14206	0.2
486.51328	0.2
508.99683	0.2
518.35773	0.4
579.14258	0.4
579.28485	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	577.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
60.99310	0.9
61.98839	4.7
63.96243	0.8
67.44910	0.4
69.03466	1.3
69.43502	3.5
71.01389	7.7
72.99305	1.3
73.02950	1.7
73.92590	0.4
75.00833	0.5
78.98594	6.6
79.95743	7.7
80.96526	63.4
81.03469	0.5
83.01406	0.4
85.02961	3.1
87.00884	3.0
89.02453	0.4
94.98102	14.8
95.01408	0.9
96.96019	0.9
97.02953	1.7
99.00896	0.9
101.02456	2.7
101.07816	0.4
103.24919	0.4
104.94093	0.3
106.98099	2.9
113.02452	1.2
122.97612	5.0
125.02463	3.4
127.04012	1.1
134.97597	5.5
136.99179	1.0
145.53265	0.4
148.99170	5.5
152.98666	7.2
164.98648	11.1
182.99738	2.4
206.99762	3.1
212.93927	0.4
216.16817	0.4
225.00746	17.7
226.01083	0.7
243.01820	1.9
249.06287	0.5
277.21783	3.0
278.22137	0.5
299.04514	2.7
317.05695	0.5
327.29022	2.4
349.25455	1.4
350.25470	0.4
351.99429	0.4
367.26361	3.7
455.31842	1.0
483.31226	0.7
515.82349	0.5
517.31696	22.6
518.32141	4.5
577.26953	100.0
577.35425	5.6
578.27344	19.9
578.35730	1.0
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
56.43467	0.2
59.01378	3.3
61.98815	0.6
63.96242	1.0
65.02809	0.2
69.03455	0.5
69.45634	2.9
71.01386	7.0
72.99323	0.5
73.02940	1.7
78.95928	0.9
78.98603	5.1
79.00330	0.3
79.95741	9.3
80.96525	59.9
81.03452	0.7
81.96459	0.3
83.01408	0.3
85.02959	2.9
87.00887	2.5
94.98103	15.2
95.01387	0.4
96.96036	0.9
97.02948	1.7
99.00883	0.4
101.02459	2.7
106.98110	3.1
113.02508	0.4
122.97601	5.1
125.02473	3.0
126.00817	0.3
127.04025	0.8
134.97597	4.3
136.99165	1.2
148.99168	5.8
152.98659	6.6
164.97276	0.6
164.98647	10.2
167.00305	0.5
182.99718	2.4
206.99715	2.7
225.00746	16.3
226.01097	0.6
242.08047	0.5
243.01697	1.3
277.21716	2.4
278.22031	0.4
279.23288	19.0
299.04446	2.8
453.94974	0.3
504.30966	6.8
577.26917	100.0
578.27240	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	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89159	0.2
59.01376	2.9
60.38058	0.3
61.98829	4.1
63.96236	1.0
64.97021	0.3
69.03441	0.6
71.01386	7.2
73.02944	1.3
74.37805	0.3
74.40801	0.3
78.95903	2.0
78.98598	6.9
79.95265	0.4
79.95741	9.9
80.96523	70.8
81.03458	0.8
81.96472	0.4
83.01386	0.5
85.02962	3.6
87.00885	3.4
94.98099	16.1
96.96021	1.2
97.02952	1.5
98.20667	0.6
99.00878	0.7
101.02473	2.5
106.98103	3.1
113.02447	0.4
122.97609	3.5
125.02454	2.6
127.04045	0.8
134.97606	5.0
136.99127	1.5
146.97623	0.5
148.99161	6.2
152.98639	5.7
152.99721	0.5
162.70193	0.3
164.98650	12.8
165.98865	0.3
167.00154	0.4
173.78711	0.4
179.00058	0.3
206.99681	2.4
224.06897	1.1
225.00743	15.7
226.01112	0.5
276.97696	0.3
277.21747	1.6
279.23288	10.6
288.02487	0.3
299.04437	3.1
327.29108	0.5
328.30115	0.4
486.09384	0.3
504.30945	7.6
577.26910	100.0
578.27258	19.2
578.35150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69202	1.3
57.03442	8.8
59.01380	60.9
60.99296	2.3
61.98835	39.1
70.05291	9.6
70.11874	1.4
71.01389	7.8
71.21842	1.4
72.99316	2.0
73.02949	4.2
75.00894	3.4
81.03437	1.4
82.21659	1.7
83.01408	6.6
85.02958	2.8
87.00877	2.5
88.98790	8.6
89.02473	4.3
90.43673	1.4
93.03467	2.3
97.02959	4.0
99.00890	1.4
101.02470	5.0
103.00352	1.8
107.04969	1.9
108.02233	2.7
109.02975	12.1
111.00902	12.3
113.02468	4.4
116.92863	6.9
117.92915	1.7
119.05022	3.6
120.04611	3.7
121.02988	6.8
123.04534	14.1
125.02468	69.4
125.79495	1.4
126.02802	2.9
133.02986	8.1
133.05058	2.3
134.03761	16.7
135.04514	4.5
137.02457	17.0
138.03268	2.9
139.03996	3.4
146.06137	4.1
147.04559	7.7
147.06619	2.9
148.05325	3.4
148.07707	10.4
149.02509	10.4
149.06079	9.6
150.03201	3.3
151.00392	3.1
151.04033	10.6
153.05623	5.8
154.77612	1.7
159.04530	2.1
160.01656	12.8
161.02466	22.0
161.04578	2.4
161.06100	4.5
162.02994	2.3
163.04079	7.8
164.01096	3.5
164.04779	6.8
164.07166	1.8
165.01981	5.6
165.05592	3.2
167.03494	3.7
175.02534	3.6
175.04019	28.2
176.04825	13.7
177.01970	9.8
177.05650	3.2
178.02716	7.1
178.06314	3.5
178.99742	1.5
179.03471	7.0
179.07169	7.3
187.04013	7.0
188.04810	2.4
189.05615	3.5
191.03531	34.9
191.07162	22.7
192.04152	4.2
192.06616	1.9
193.01463	2.0
193.05084	33.2
193.08780	2.1
199.03906	1.7
203.03517	8.6
203.07185	6.0
205.01396	3.1
205.05080	7.2
206.05850	34.5
207.06558	7.2
208.03792	1.7
209.04570	2.5
209.08205	2.4
217.05099	3.8
218.05841	5.8
219.06615	3.3
220.03835	3.7
221.04607	5.0
221.08197	52.4
222.08565	3.8
223.06059	2.5
225.07565	1.7
229.05194	2.4
233.04604	2.2
233.08238	5.7
235.02377	2.1
235.06107	39.7
236.06755	6.4
243.02773	1.9
245.04575	4.8
245.08218	8.4
247.06122	2.3
250.04826	2.5
251.09241	27.2
252.09442	2.2
255.02979	4.9
256.03778	2.6
257.04413	2.3
263.05673	4.8
263.09097	1.8
265.07162	41.8
266.07605	3.8
273.03979	3.3
275.09409	2.4
283.08276	3.2
285.03928	1.8
287.05579	5.2
289.07181	40.8
290.07663	2.2
293.10300	4.2
295.08252	70.5
296.08572	7.0
299.05734	4.7
307.08206	1.9
311.11472	3.4
352.27768	1.5
355.10367	100.0
356.10709	13.3
381.09647	2.8
407.07681	37.8
407.12534	2.7
408.07910	4.7
413.14685	2.9
425.08817	13.5
427.12738	10.9
445.13388	3.6
451.10211	9.9
457.12869	4.7
487.12234	3.4
517.14886	1.8
577.14539	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	577.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69202	1.3
57.03442	8.8
59.01380	60.9
60.99296	2.3
61.98835	39.1
70.05291	9.6
70.11874	1.4
71.01389	7.8
71.21842	1.4
72.99316	2.0
73.02949	4.2
75.00894	3.4
81.03437	1.4
82.21659	1.7
83.01408	6.6
85.02958	2.8
87.00877	2.5
88.98790	8.6
89.02473	4.3
90.43673	1.4
93.03467	2.3
97.02959	4.0
99.00890	1.4
101.02470	5.0
103.00352	1.8
107.04969	1.9
108.02233	2.7
109.02975	12.1
111.00902	12.3
113.02468	4.4
116.92863	6.9
117.92915	1.7
119.05022	3.6
120.04611	3.7
121.02988	6.8
123.04534	14.1
125.02468	69.4
125.79495	1.4
126.02802	2.9
133.02986	8.1
133.05058	2.3
134.03761	16.7
135.04514	4.5
137.02457	17.0
138.03268	2.9
139.03996	3.4
146.06137	4.1
147.04559	7.7
147.06619	2.9
148.05325	3.4
148.07707	10.4
149.02509	10.4
149.06079	9.6
150.03201	3.3
151.00392	3.1
151.04033	10.6
153.05623	5.8
154.77612	1.7
159.04530	2.1
160.01656	12.8
161.02466	22.0
161.04578	2.4
161.06100	4.5
162.02994	2.3
163.04079	7.8
164.01096	3.5
164.04779	6.8
164.07166	1.8
165.01981	5.6
165.05592	3.2
167.03494	3.7
175.02534	3.6
175.04019	28.2
176.04825	13.7
177.01970	9.8
177.05650	3.2
178.02716	7.1
178.06314	3.5
178.99742	1.5
179.03471	7.0
179.07169	7.3
187.04013	7.0
188.04810	2.4
189.05615	3.5
191.03531	34.9
191.07162	22.7
192.04152	4.2
192.06616	1.9
193.01463	2.0
193.05084	33.2
193.08780	2.1
199.03906	1.7
203.03517	8.6
203.07185	6.0
205.01396	3.1
205.05080	7.2
206.05850	34.5
207.06558	7.2
208.03792	1.7
209.04570	2.5
209.08205	2.4
217.05099	3.8
218.05841	5.8
219.06615	3.3
220.03835	3.7
221.04607	5.0
221.08197	52.4
222.08565	3.8
223.06059	2.5
225.07565	1.7
229.05194	2.4
233.04604	2.2
233.08238	5.7
235.02377	2.1
235.06107	39.7
236.06755	6.4
243.02773	1.9
245.04575	4.8
245.08218	8.4
247.06122	2.3
250.04826	2.5
251.09241	27.2
252.09442	2.2
255.02979	4.9
256.03778	2.6
257.04413	2.3
263.05673	4.8
263.09097	1.8
265.07162	41.8
266.07605	3.8
273.03979	3.3
275.09409	2.4
283.08276	3.2
285.03928	1.8
287.05579	5.2
289.07181	40.8
290.07663	2.2
293.10300	4.2
295.08252	70.5
296.08572	7.0
299.05734	4.7
307.08206	1.9
311.11472	3.4
352.27768	1.5
355.10367	100.0
356.10709	13.3
381.09647	2.8
407.07681	37.8
407.12534	2.7
408.07910	4.7
413.14685	2.9
425.08817	13.5
427.12738	10.9
445.13388	3.6
451.10211	9.9
457.12869	4.7
487.12234	3.4
517.14886	1.8
577.14539	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	577.1359
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03448	12.2
59.01385	2.0
61.98827	2.4
62.90548	0.4
65.03966	0.5
69.03457	0.6
71.01389	1.5
71.71144	1.0
78.88128	0.5
81.03460	2.0
83.01396	4.3
85.02930	0.8
88.98838	1.4
89.04021	0.5
93.03455	1.8
95.01385	1.0
95.05024	2.2
97.02963	3.7
101.02442	0.6
107.05064	1.5
108.02187	1.2
109.02970	18.2
111.00925	1.0
113.02543	0.8
116.92887	1.5
117.03452	0.8
120.04562	2.1
121.02966	3.4
122.03778	1.4
123.04536	14.3
124.04832	0.6
125.02463	100.0
126.02782	3.8
131.05006	0.6
133.02985	3.4
133.05066	1.0
135.04517	2.8
137.02466	19.6
138.02893	0.6
139.04039	4.4
145.03003	1.0
146.03783	0.7
147.04523	1.2
149.02441	4.8
149.06117	0.7
150.03191	1.2
151.04027	12.1
152.04396	0.9
155.05016	0.8
159.04562	4.4
160.05226	0.8
161.02461	28.7
161.06078	4.5
162.03156	3.2
163.00421	2.0
163.04010	4.4
164.01155	4.0
165.01935	5.1
165.05563	1.0
166.02666	0.7
167.03503	1.6
173.02478	0.7
174.03268	0.9
175.04016	10.2
175.07664	1.3
176.01151	0.8
176.04408	1.1
177.01936	6.5
177.05600	1.2
178.02655	0.8
179.03513	5.3
179.07271	0.7
183.04503	0.6
185.06032	0.9
187.04013	7.4
188.04770	3.9
189.01875	0.7
189.05426	1.2
191.03481	1.0
192.06613	0.6
193.05084	0.9
199.03947	0.7
201.05577	1.8
202.06354	1.1
203.03513	1.8
203.07158	9.9
204.04359	0.7
204.07326	0.6
205.01418	2.8
205.05063	7.9
206.05490	0.5
211.03993	1.4
212.04797	0.6
213.05618	2.1
215.03503	2.1
217.05058	1.8
219.03059	0.8
219.06627	0.8
221.08221	1.1
225.05606	0.8
227.03519	2.1
227.07101	2.1
228.04224	0.9
229.05005	3.9
230.05713	0.9
231.03053	1.5
236.05637	3.5
243.02904	2.7
243.06779	0.6
244.03748	0.6
245.04532	6.1
245.08171	11.5
246.08461	1.4
247.06084	1.4
253.05168	0.8
255.02972	9.8
256.03699	4.6
257.04480	2.8
265.06964	0.7
269.04578	2.5
271.06189	1.0
273.04074	4.8
274.04453	0.8
281.04568	3.3
282.01801	0.8
282.04785	0.7
283.02505	2.7
285.04172	3.2
285.06998	0.8
287.05600	9.4
288.02921	0.7
288.06036	1.4
289.07178	65.5
290.07477	5.9
297.04263	0.9
297.07764	0.8
299.05649	6.9
329.06317	1.2
331.07678	0.6
339.08798	3.6
340.09122	0.6
381.09827	2.2
389.06516	0.8
407.07715	61.5
408.08060	8.1
425.08792	25.6
426.08981	4.5
446.14468	0.7
451.10342	14.0
452.10638	2.9
487.12344	0.6
521.88129	0.6
559.13049	1.5
577.13226	7.8
578.13934	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	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86657	0.3
59.01382	29.4
60.01709	0.5
61.98830	4.7
71.01388	0.6
71.71822	0.4
72.99306	0.5
78.95913	27.8
82.89980	0.3
83.05038	0.4
88.98852	0.7
89.02429	0.7
96.97009	0.4
103.67995	0.3
112.12659	0.3
122.98572	0.4
127.07646	0.5
152.99617	4.3
159.13757	0.3
168.04349	4.2
194.05794	0.3
199.64151	0.3
202.88071	0.3
224.06938	10.9
224.09129	0.6
225.07330	0.6
233.22853	0.5
242.07928	2.2
259.20844	0.5
275.20096	0.5
277.21732	100.0
278.22083	11.3
278.25177	0.4
450.93234	0.3
486.33093	0.4
502.29388	87.9
503.29706	14.9
527.16595	0.4
533.67175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88480	0.7
52.40074	0.7
57.03173	1.1
57.03454	16.0
59.01382	6.8
61.98826	2.0
69.03460	0.8
69.94958	2.9
69.95378	1.6
71.01392	4.0
73.02944	1.1
75.00882	0.8
81.03472	3.0
83.01391	4.7
85.02966	1.8
87.00893	1.4
88.98829	1.7
89.02430	1.6
89.03976	0.9
91.13230	0.7
93.03487	2.3
95.01394	1.3
95.05042	2.3
96.96030	0.7
97.02964	4.4
99.04527	1.0
100.54333	0.7
101.02463	2.9
107.01410	0.9
108.02211	1.3
109.02972	18.0
111.00899	1.0
111.04554	0.8
112.51218	0.8
113.02467	1.3
116.92886	9.0
119.03512	0.7
119.05046	2.5
121.02977	4.0
122.03689	0.9
123.04550	14.0
124.01698	0.9
125.02471	100.0
126.02862	3.4
131.05077	1.5
133.02992	4.6
133.05099	5.1
135.04529	2.8
137.02466	20.9
139.04053	3.5
145.02998	1.8
146.03772	1.4
147.04515	1.4
149.02477	5.8
149.04570	1.1
149.06113	1.1
150.03156	1.3
151.00380	1.6
151.04027	12.9
153.02002	1.1
159.04561	2.6
161.02477	28.0
161.06113	4.7
161.08237	2.9
162.03098	2.4
162.06488	1.0
163.00392	2.2
163.04083	3.6
164.01184	4.6
165.01945	4.8
165.05612	1.7
166.02679	0.8
167.03548	2.8
173.06177	0.9
173.84070	0.7
175.04028	9.8
175.07677	1.5
177.01988	7.0
177.05583	1.3
178.02618	1.0
178.99927	1.1
179.03510	4.7
179.07079	1.1
181.05171	1.6
183.04529	1.3
184.05305	0.7
185.06070	1.4
187.02534	1.7
187.04019	8.5
188.04739	3.9
189.05577	1.2
190.02725	0.9
191.03531	1.1
193.05054	1.9
199.04010	1.6
201.05647	1.4
202.06357	2.1
203.03496	1.6
203.05325	1.2
203.07143	9.3
205.01477	3.0
205.05080	7.9
211.04045	1.1
212.04707	1.2
215.03479	1.4
217.05060	1.1
219.03052	0.9
221.08240	2.8
227.03493	1.6
227.07079	1.6
228.04370	0.8
229.05086	3.1
230.05731	1.1
231.03136	0.8
243.03079	2.1
243.06686	1.0
245.04559	5.2
245.08212	11.8
247.06143	1.4
253.05124	1.3
255.03014	8.6
256.03772	6.8
257.04337	3.4
269.04578	1.9
271.06207	1.6
273.04074	4.5
281.04630	3.2
283.02585	2.0
285.04178	3.3
287.05685	9.2
288.05975	1.7
289.07193	67.3
290.07492	5.8
297.04172	1.6
297.12091	0.9
299.05621	5.5
300.06049	1.0
313.07208	1.0
329.06662	1.5
339.08820	2.9
381.09857	2.5
397.09299	1.2
407.07745	58.3
408.08188	8.7
425.08807	23.0
426.09222	4.0
451.10379	14.2
452.10666	2.1
457.11658	2.4
487.12640	2.2
577.13171	8.5
577.88123	1.0
578.14532	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98833	100.0
62.98535	0.2
62.99266	0.1
63.80694	0.1
70.85897	0.1
70.86272	0.3
71.01394	0.2
74.00591	0.1
85.02979	0.1
88.98795	0.1
99.34863	0.1
101.02458	0.1
111.00907	0.2
133.05368	0.1
134.06187	0.2
137.38556	0.1
173.00896	0.1
247.14542	0.3
260.71265	0.1
342.14731	0.1
358.21469	0.1
513.30817	1.0
514.31476	0.3
517.33850	0.1
533.29724	0.1
541.26563	0.1
577.30750	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	576.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.42323	0.2
71.46873	0.1
137.74246	0.1
145.02951	0.2
211.13467	0.5
228.80070	0.2
576.33905	0.2
577.36426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90826	0.1
56.05281	0.1
61.42903	0.1
61.98834	100.0
62.05873	0.1
62.98536	0.2
62.99305	0.1
63.05541	0.1
71.71543	0.1
75.00861	0.4
75.79285	0.1
106.75714	0.1
125.31059	0.1
128.34048	0.1
162.06602	0.1
192.05182	0.1
201.11382	0.1
315.94531	0.1
335.98447	0.1
416.91504	0.1
439.37448	0.1
443.58215	0.1
513.32251	1.0
514.32770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01698	0.1
59.01381	19.3
60.01706	0.3
60.11708	0.2
61.98810	0.4
68.30623	0.1
69.89639	0.7
69.90052	0.3
70.48606	0.1
78.95911	7.1
79.38892	0.2
83.05039	0.2
90.09814	0.2
98.01662	0.1
98.20596	0.2
104.01959	0.2
130.01057	0.2
152.99596	1.4
156.95485	0.2
168.04326	2.0
188.61331	0.2
205.19725	0.2
224.06937	1.4
233.22772	0.4
242.08000	3.0
259.20688	0.4
259.74063	0.2
274.62125	0.2
275.20206	0.5
277.21716	100.0
278.22064	11.7
418.63144	0.2
502.29385	40.0
503.29691	6.9
516.30371	0.2
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
53.71832	0.1
59.01376	0.2
61.98832	100.0
62.98539	0.2
66.26734	0.1
69.47121	0.7
69.47550	0.5
71.01381	0.3
73.02963	0.2
78.98599	0.2
79.95753	0.4
80.96520	2.6
80.96995	0.1
85.80425	0.1
94.98101	0.7
97.43188	0.1
101.02382	0.1
104.95936	0.1
106.98080	0.1
122.97623	0.2
134.97525	0.1
148.99181	0.3
152.98697	0.3
153.82684	0.1
164.98598	0.5
203.15140	0.1
206.99744	0.2
225.00691	0.7
262.13492	0.1
277.21848	0.4
278.22095	0.5
279.22510	0.3
299.04593	0.1
332.47232	0.1
453.62808	0.1
462.22855	0.1
536.35101	0.1
541.50214	0.1
577.26917	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	576.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38428	0.1
59.01377	0.2
61.98833	100.0
62.98521	0.2
69.78505	0.8
71.01395	0.3
73.03002	0.1
73.87051	0.1
78.95952	0.1
78.98624	0.2
79.72182	0.1
79.95745	0.4
80.96524	2.3
83.85563	0.1
85.02970	0.1
87.00896	0.1
94.98115	0.6
101.02474	0.2
122.97646	0.1
125.02414	0.1
134.97606	0.2
152.98651	0.2
164.98715	0.4
170.40126	0.1
189.41481	0.1
225.00723	0.6
228.04272	0.1
253.22221	0.1
277.21783	0.3
278.22220	0.3
279.22388	0.2
280.23068	0.1
577.26904	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	575.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.3
59.83685	0.4
61.98837	4.3
71.01396	2.5
72.99319	0.4
73.02959	0.6
78.01939	0.4
83.01382	0.4
85.02971	0.7
87.00907	0.5
89.02493	2.2
101.02460	2.5
104.67943	0.3
108.82491	0.4
113.02476	1.1
119.03456	0.8
145.03004	0.4
161.04605	0.8
235.08234	2.4
235.25121	0.4
253.09282	13.8
254.09596	0.5
276.13586	0.4
279.23294	100.0
280.23657	11.5
355.83438	0.4
515.32458	0.6
549.77844	0.5
575.34778	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	575.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03456	2.6
58.00592	1.3
59.01383	50.8
60.01713	1.2
61.98834	17.1
69.27468	0.5
70.86797	1.4
71.01390	22.4
72.99310	1.8
73.02947	7.7
75.00878	0.7
83.01404	4.3
85.02965	11.9
85.06603	1.4
85.54972	0.6
86.00118	0.6
86.03336	0.6
87.00881	3.4
87.04520	5.6
88.98817	1.4
89.02449	5.4
95.01410	2.4
99.00906	3.4
101.02457	15.3
111.00912	0.9
113.02469	8.3
116.92886	0.6
117.03519	0.8
119.03542	1.5
119.05058	2.7
125.02427	0.6
130.08801	0.6
135.02965	0.8
137.54482	0.5
142.06708	0.5
143.06981	0.7
145.01999	0.5
145.02953	3.1
159.03046	1.0
159.06616	0.8
159.10287	0.7
161.02454	1.1
161.04514	2.6
163.04024	2.2
171.10176	0.5
179.05693	0.7
187.06036	0.6
193.15996	1.0
218.42848	0.5
230.27354	0.5
239.16534	1.6
257.67770	0.5
281.21173	0.6
291.19662	0.7
309.20892	3.1
327.21774	6.5
328.22116	0.6
443.27167	0.8
445.10739	0.5
465.23160	1.6
465.72867	1.1
471.19199	0.9
471.26001	20.5
472.26343	2.8
489.27048	37.8
490.27289	5.5
515.25171	2.8
515.31989	0.7
531.28082	100.0
532.28461	19.1
532.36536	0.9
575.33228	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	575.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	14.3
61.98827	1.5
62.21268	0.6
62.34426	0.4
70.92109	1.0
70.92481	1.1
88.98817	100.0
89.99155	1.3
112.06459	0.4
118.19719	0.5
147.98390	0.5
177.01970	0.5
279.23230	3.2
395.88345	0.6
461.51492	0.6
485.32755	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.6
60.99308	14.4
61.98824	3.6
69.51907	1.9
69.52245	12.9
75.75141	1.2
75.75638	1.5
79.30961	1.1
83.82094	1.2
87.00919	3.2
88.00410	2.3
88.98817	100.0
89.02459	38.8
89.67741	1.2
158.92847	1.4
217.09114	1.5
262.67816	1.4
277.21683	2.1
423.32590	2.0
438.43503	1.3
477.22244	1.4
485.32703	25.9
486.32870	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38517	1.1
59.01382	100.0
60.06927	1.1
67.33962	1.0
67.38152	1.0
67.90849	1.1
68.52035	1.0
71.01384	1.8
71.05016	4.3
71.70329	1.5
74.02844	1.1
85.02948	4.3
85.06603	2.3
88.91576	1.1
89.02486	1.2
96.00716	1.1
96.95995	1.4
101.02461	5.0
101.06113	1.7
103.00384	12.6
103.03991	1.8
104.72025	1.4
113.37753	1.1
129.05591	18.0
130.96663	1.0
133.38754	1.1
143.12077	1.1
143.46416	1.1
147.06662	86.3
148.06941	3.1
179.81114	1.2
189.07709	55.6
190.05438	1.4
190.08054	2.1
210.80585	1.1
233.06615	3.9
326.74173	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	575.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03458	0.6
59.01382	13.0
61.98829	1.2
69.03478	0.3
71.01392	6.7
71.71584	0.3
71.72057	0.4
72.99323	1.6
73.02962	1.6
75.00886	0.6
75.07871	0.3
83.01389	1.9
85.02964	2.7
85.06602	1.4
87.00890	0.7
87.04547	0.3
88.21524	0.3
89.02458	3.2
89.04011	0.4
95.01411	0.9
97.02966	0.4
99.00906	0.8
101.02460	6.0
105.03469	0.5
107.05056	0.5
111.00887	1.1
113.02459	3.6
113.06106	1.3
115.00389	0.4
117.03470	1.7
119.03566	1.1
119.05049	1.7
123.04567	0.9
125.02447	2.1
127.00404	0.4
127.05559	0.5
131.03560	0.4
131.07166	10.6
132.02213	1.4
132.07466	0.5
133.02982	27.0
134.03665	1.4
135.04553	10.6
136.01680	0.4
137.02509	0.8
143.03551	0.8
147.04558	6.2
147.06691	1.3
149.02455	0.5
150.03268	0.9
151.00381	1.1
151.04015	0.5
160.01685	1.0
161.02473	100.0
162.02809	5.0
164.04840	0.4
165.05594	12.5
166.02759	0.9
166.05939	0.8
167.03516	0.7
171.04543	0.4
173.08208	6.1
175.02531	0.8
175.04034	1.3
179.03529	6.6
179.05730	0.8
180.03960	0.6
181.05089	2.5
187.02495	0.4
189.05582	5.0
193.05164	0.6
193.09087	0.3
195.06548	0.6
197.43776	0.3
207.06509	0.6
219.03006	0.7
233.04620	1.1
234.05371	0.8
249.07726	0.7
251.11458	0.7
264.06552	0.3
279.08774	1.4
288.31586	0.3
314.99734	1.5
335.07648	0.4
341.11072	0.4
383.12018	0.3
395.09741	2.9
409.09976	0.7
413.14572	15.1
414.14874	1.8
471.15271	0.7
480.86688	0.4
495.06039	2.4
552.04602	0.3
575.19916	55.8
576.20245	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	575.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01707	1.6
61.98840	4.9
64.02875	0.8
70.60294	1.6
70.62473	0.7
71.01389	0.9
71.05022	8.6
79.59311	0.7
85.02943	0.6
85.21564	0.6
92.06393	0.7
93.03489	0.8
99.04512	0.7
103.00385	31.6
104.00701	0.9
111.00910	1.2
116.65477	0.6
116.92886	3.8
125.02530	1.6
129.05585	0.8
133.03004	2.4
135.03053	1.0
135.04584	2.0
137.02437	1.4
147.06654	31.2
149.02759	0.8
149.61418	0.7
151.03883	0.9
153.75783	0.6
161.02469	9.8
165.05652	0.7
177.05647	0.9
178.02536	0.7
179.03595	1.6
189.07695	16.8
189.09270	1.3
203.47417	0.7
205.05125	1.1
221.04527	0.8
233.04535	1.8
233.06725	3.3
308.86786	0.8
309.66077	0.7
324.50955	0.7
334.35016	0.7
341.08984	2.9
342.09448	0.8
353.08722	5.3
423.07486	0.9
489.14822	0.8
512.11475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39712	0.2
59.01374	0.7
61.98833	100.0
62.98541	0.2
67.77225	0.2
71.01394	0.4
71.02514	0.5
71.10860	0.2
71.11205	0.3
71.87162	0.2
72.00924	0.4
73.04098	0.2
73.87061	0.2
74.02483	0.5
83.02552	0.2
85.02934	0.2
89.02463	0.4
101.02464	0.3
106.01937	0.2
107.05034	0.3
111.00888	0.3
113.02419	0.2
118.95695	0.1
121.06599	0.2
129.10359	1.7
129.28738	0.2
130.41093	0.2
132.05843	0.3
133.05685	0.2
133.06596	0.9
134.06142	0.2
135.03044	0.2
135.04570	0.2
139.08778	0.4
146.06134	1.2
147.06587	0.2
148.07709	0.6
150.09224	0.2
151.08794	1.0
155.08315	0.4
159.04561	0.2
160.07687	0.5
161.02475	0.8
164.07140	0.2
177.05577	0.2
179.08282	0.5
184.10873	0.2
188.07124	0.2
192.09015	0.7
194.08260	0.6
204.06580	0.2
205.09798	1.5
219.32204	0.2
221.09309	0.8
224.08041	0.6
232.06136	0.3
249.08754	1.2
266.11456	5.9
267.11893	0.5
276.17084	0.2
280.13477	0.9
281.13858	0.2
307.14474	0.6
335.13928	0.8
344.16104	0.2
346.17911	0.2
411.20514	0.2
448.22440	0.2
465.25089	1.0
466.25375	0.2
509.24054	30.3
510.24319	6.8
542.21454	0.2
572.23260	0.5
573.22131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01382	27.3
61.98829	18.8
63.92234	0.9
69.92039	5.8
71.01388	5.7
71.05031	2.4
72.99325	1.6
73.02956	1.7
75.00871	2.2
83.01387	2.2
85.02969	1.5
87.00886	2.1
89.02451	1.5
93.03416	1.0
96.96024	1.4
98.97423	0.9
99.00892	6.8
99.92598	1.5
101.02489	1.7
103.00383	6.7
108.02175	1.8
108.04578	1.3
109.02936	1.0
111.00896	2.5
113.02470	1.1
115.00363	2.9
116.92863	12.6
117.01949	1.3
117.92915	1.2
119.05031	1.7
121.02952	1.4
123.04583	1.8
125.02468	8.1
131.04918	0.9
133.02936	2.4
134.03741	2.0
135.03032	2.0
135.04538	2.0
137.02446	3.1
143.43141	0.9
145.02914	1.4
146.08269	1.3
147.04581	5.5
147.06631	7.9
148.05305	4.2
149.02495	1.7
149.06085	2.4
150.03223	1.6
157.01442	1.8
159.04596	1.8
160.05328	5.9
161.02464	9.7
161.04605	1.4
161.06090	2.9
162.03242	4.2
162.06906	4.9
163.04013	3.6
163.07643	2.5
164.04852	1.8
165.01920	1.3
165.05553	2.1
167.03494	2.1
172.05328	1.6
173.06155	5.2
174.03168	2.0
175.02461	3.0
175.04008	4.6
175.07675	2.2
176.04813	2.3
177.01935	1.7
177.05574	13.3
178.06252	1.4
179.03490	2.7
179.07149	1.0
184.05251	2.4
185.06078	1.1
187.04025	3.0
188.04796	8.2
189.05606	4.5
189.07675	2.5
190.02858	2.2
190.06325	3.0
191.03503	1.7
191.07088	2.0
199.07695	1.5
201.05646	1.5
202.06374	5.8
203.03467	1.1
203.07132	5.9
204.04282	6.9
205.05057	8.9
205.08881	1.6
206.05798	1.5
207.06624	3.0
215.07095	1.3
216.04292	8.1
217.04807	1.4
217.08679	14.6
218.02199	1.9
219.03140	1.6
219.06665	14.6
220.06863	1.0
221.04645	1.1
221.08220	7.5
222.01707	0.9
229.05070	2.0
231.06613	18.3
232.06876	1.1
233.04564	6.6
235.06136	7.5
235.15744	1.0
243.03168	1.0
245.04469	1.1
249.07671	11.7
250.08023	1.3
251.05586	9.0
259.06009	1.0
261.07535	1.1
265.07187	3.0
273.07718	1.4
291.08694	8.6
293.06686	17.7
294.07062	1.2
309.09872	2.2
353.08801	100.0
354.09079	9.0
366.84021	0.9
369.13098	1.2
393.11661	1.2
413.14529	3.2
423.07324	1.5
449.08792	1.3
515.13971	2.3
575.17938	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28919	0.2
59.14050	0.3
61.98838	3.1
70.03589	0.3
78.95912	1.0
96.96973	1.3
99.92600	26.1
100.92618	1.4
100.93379	3.4
115.92096	58.6
116.92104	2.7
116.92898	3.3
132.92381	0.6
151.29771	0.3
151.66931	0.3
437.45395	0.3
471.34979	1.8
487.30167	0.3
553.26416	1.1
556.25189	0.6
571.27386	100.0
572.27643	27.1
585.25311	6.1
586.25464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.2
67.18872	0.3
71.72108	0.5
78.95911	0.9
92.27885	0.3
96.96969	1.1
99.92597	26.6
100.92610	1.6
100.93375	3.4
115.92091	68.7
116.92101	3.9
116.92878	4.1
132.92368	1.0
152.99577	1.2
155.86671	0.3
255.23392	0.5
293.93503	0.3
315.14764	0.3
442.45975	0.3
469.33185	0.4
471.34802	2.1
553.26501	2.0
554.26483	0.5
556.24725	0.6
571.27386	100.0
572.27667	26.8
585.25208	7.9
586.25763	1.6
592.43768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.38404	0.3
57.67346	0.3
61.98821	0.9
69.78324	0.3
70.79870	1.1
73.54465	0.3
78.95909	51.7
96.96976	11.6
101.33802	0.3
115.92040	0.4
116.92140	0.3
128.98262	0.3
134.98602	0.5
150.12009	0.3
150.98019	0.4
152.99609	52.9
153.99968	1.0
171.00690	0.7
188.19792	0.4
223.00136	1.7
223.63136	0.3
241.01192	30.4
242.01521	1.2
244.58405	0.3
255.23288	69.0
256.23663	6.6
259.02255	0.7
276.74509	0.3
315.04895	7.8
316.05325	0.6
364.20300	0.4
391.22614	3.9
392.23093	0.4
409.23709	0.4
410.36172	0.3
470.33475	0.5
520.15411	0.3
559.70319	0.4
571.28925	100.0
572.29236	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	571.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71310	0.4
57.52035	0.4
58.00583	1.0
59.01082	0.9
59.01381	14.1
61.98837	1.5
70.22092	1.0
70.22485	0.8
71.01388	12.6
72.99323	1.1
73.02956	1.9
74.72868	0.6
83.01403	1.0
84.24904	0.4
85.02977	2.4
87.00881	2.3
88.98836	1.4
89.02451	8.9
93.03442	2.2
95.05060	0.4
96.96024	1.1
97.02979	0.8
98.02478	0.4
99.00881	0.8
101.01846	0.8
101.02464	6.9
113.02472	4.6
119.03520	4.7
119.05000	0.7
121.02969	3.5
122.03764	6.8
123.04628	0.5
131.03502	0.4
133.03023	0.8
134.03738	0.8
135.04556	1.6
136.01654	1.4
139.04039	0.5
143.03488	0.8
145.03011	1.2
146.03711	0.7
147.04526	0.6
148.01668	0.4
149.02466	25.4
149.06081	0.5
150.03250	67.8
151.03622	3.2
159.03067	0.5
160.82855	0.4
161.02463	1.8
161.04594	3.9
162.03282	2.6
163.04005	1.4
164.04823	10.0
165.05589	100.0
166.05957	5.7
171.60596	0.4
177.02026	0.5
177.05605	1.6
179.05678	2.4
179.06975	0.5
180.04329	5.0
181.04982	1.1
186.06978	0.5
192.99681	0.4
195.06638	39.9
196.06946	2.4
207.06772	0.5
257.08112	0.7
267.52264	0.4
271.06152	0.9
285.07837	0.6
286.08463	2.9
287.09094	0.5
301.10825	10.3
302.11279	1.0
311.09097	0.5
313.11050	0.5
325.10870	1.1
327.10867	14.9
328.11203	0.9
341.41632	0.5
343.11789	2.1
349.12985	1.6
361.12943	14.4
362.13190	1.7
409.14984	1.9
497.20200	0.5
523.18188	23.2
524.18506	4.7
571.20154	15.7
572.20624	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	571.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.7
59.01383	26.0
61.98845	0.7
63.68996	0.5
64.18911	0.6
68.99858	0.6
71.01390	19.3
71.28687	1.3
72.99326	2.4
73.02962	2.2
74.96166	0.6
83.01427	1.5
85.02961	5.2
87.00885	3.4
88.98812	1.1
89.02454	19.0
89.02995	1.0
93.03486	2.5
95.01410	2.1
96.96046	0.9
99.00919	1.0
101.02455	14.1
101.03085	1.0
105.03501	0.5
108.02135	0.6
109.02976	0.7
111.00909	0.5
113.02476	7.3
119.03522	10.3
121.02986	6.6
122.03770	7.3
123.04571	0.6
129.02019	0.5
131.03558	0.8
133.02977	1.5
134.03743	1.0
135.04585	1.2
136.01704	1.2
137.02451	1.3
143.03528	2.0
143.16966	0.5
145.02928	3.3
146.03665	0.8
147.04558	1.7
149.02467	27.9
150.03252	78.7
151.03642	4.5
161.02502	3.6
161.04552	4.8
162.03255	6.0
163.04012	1.9
164.04816	9.7
165.05597	100.0
166.05951	5.0
175.04039	0.7
177.05612	4.0
179.03688	0.6
179.04182	0.7
179.05667	5.2
180.04327	6.4
181.05013	0.9
187.17490	0.5
195.06660	33.1
196.06985	1.5
219.57355	0.6
223.91829	0.5
227.46962	0.6
238.54298	0.6
266.05914	1.3
269.08084	0.6
281.08112	0.9
285.07840	1.8
286.08475	3.1
287.09167	1.0
301.10864	8.2
302.11002	0.9
310.08594	1.1
313.10806	1.3
325.10785	1.7
327.10855	12.3
328.11081	1.3
329.10165	0.5
343.11975	3.9
344.12091	0.6
357.11783	3.9
361.12936	16.0
362.13406	1.8
375.13132	0.8
409.14642	1.8
491.47507	0.6
523.18164	38.7
524.18518	6.0
571.20398	30.3
572.20758	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	570.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09042	0.2
59.01380	19.4
60.01711	1.3
61.98832	100.0
71.01357	0.4
83.01391	0.6
86.84071	0.3
88.76301	0.2
96.40269	0.2
98.19831	0.6
99.92617	0.2
106.65631	0.2
116.92894	0.2
119.05038	0.4
120.87233	0.2
121.41614	0.3
125.09719	0.3
130.08783	0.3
133.51219	0.2
145.02980	0.9
216.39629	0.2
312.39072	0.2
384.75955	0.2
488.30783	0.3
507.29926	1.0
526.10205	0.3
570.31042	0.7
571.31531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29600	0.1
59.01395	0.1
61.98833	100.0
62.98537	0.3
62.99247	0.1
65.14012	0.1
66.69742	0.1
71.53306	0.2
72.82170	0.1
75.49516	0.1
83.32297	0.1
108.21928	0.1
156.27583	0.1
198.47621	0.2
295.50085	0.1
300.25241	0.1
376.49820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17793	0.1
55.17920	0.1
59.01376	0.3
61.98833	100.0
62.98535	0.2
63.99269	0.2
66.14316	0.1
71.01406	0.1
71.12900	0.2
74.41467	0.1
75.61482	0.1
85.03001	0.1
101.02497	0.1
146.91869	0.1
161.02483	0.1
179.36101	0.1
189.96715	0.1
270.65201	0.1
479.11716	0.1
486.77502	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	569.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69484	0.2
61.98829	1.8
64.17335	0.2
70.13575	1.3
72.67838	0.3
96.96967	0.7
99.92602	29.6
100.92625	1.9
100.93380	3.4
115.92097	58.3
116.92098	3.1
116.92880	7.4
132.92389	0.6
169.02219	0.3
272.12305	0.3
469.33163	1.4
523.25146	0.4
551.24738	1.4
554.23505	0.9
554.31732	0.3
555.24146	0.4
569.25836	100.0
570.26117	26.8
583.23724	4.6
584.24048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16070	0.3
61.98835	3.9
70.55746	1.1
78.95900	0.7
96.96999	0.7
99.92600	28.7
100.92615	1.6
100.93388	3.4
114.45236	0.3
115.92097	58.7
116.92110	3.2
116.92898	2.9
132.92374	0.7
198.63989	0.3
402.57703	0.3
469.33234	3.3
517.70941	0.3
551.24744	1.7
552.25201	0.5
554.23462	0.7
555.24115	0.7
569.25848	100.0
570.26147	28.1
583.23688	4.4
584.24078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51897	0.3
56.56341	0.3
59.01398	0.5
61.98834	4.2
69.51341	3.0
75.00904	0.8
78.95918	0.8
96.96993	0.7
98.20587	0.5
99.92602	33.2
100.92628	2.2
100.93391	3.4
101.93366	0.4
115.92097	67.0
116.92103	3.8
116.92894	3.9
132.92381	0.5
152.99544	0.6
153.62166	0.3
225.09503	0.3
242.01045	0.3
310.11166	0.3
381.12204	0.3
469.33298	2.2
519.99628	0.3
523.25195	0.5
551.24371	1.2
552.24615	0.6
554.22900	0.6
569.25269	100.0
570.25726	29.3
583.23920	4.3
584.23621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73643	0.2
59.01375	1.2
60.18610	0.1
61.98833	100.0
62.98559	0.2
63.61146	0.1
65.37968	0.2
71.01398	0.2
71.46420	0.1
71.70825	0.3
79.95740	0.2
85.02952	0.2
89.02477	0.2
96.96045	0.2
110.52396	0.2
119.05046	0.2
163.03987	0.2
230.38765	0.2
505.33884	0.4
567.30420	0.2
568.29700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86178	0.2
59.01376	2.1
61.98835	100.0
71.70891	0.3
74.45535	0.2
99.92605	0.8
100.47575	0.2
115.92125	0.2
116.27193	0.2
116.92918	0.3
119.07758	0.2
138.41324	0.2
145.03017	0.6
153.31004	0.2
163.03969	0.3
251.35446	0.3
505.28122	0.8
532.33710	0.3
569.22266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.29
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01378	0.7
71.71186	1.3
84.00919	10.3
87.91762	0.8
99.92567	1.6
115.92099	5.0
116.26256	0.7
128.98364	0.8
193.54301	0.9
202.42377	0.8
249.34229	0.9
297.74646	0.8
437.30817	1.7
439.32169	16.0
440.32544	3.3
483.31201	24.1
484.31366	6.4
494.32523	0.8
568.28955	80.7
569.29706	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87929	0.1
59.01392	0.7
60.24284	0.1
61.98833	100.0
62.98534	0.2
66.32874	0.1
69.96250	0.4
69.96660	0.2
71.01399	0.3
72.08220	0.1
83.81574	0.1
85.03032	0.1
89.02476	0.2
98.20555	0.2
101.02464	0.2
123.66445	0.1
125.02447	0.1
129.95305	0.1
130.54709	0.1
134.78468	0.1
161.02528	0.1
241.70990	0.1
456.87457	0.1
508.35648	0.6
534.33069	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	568.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
59.41081	0.1
61.34842	0.1
61.98833	100.0
62.98523	0.2
70.47461	0.4
71.01392	0.3
85.02966	0.1
94.71608	0.1
97.31815	0.1
101.02477	0.1
119.05054	0.2
145.03004	0.3
159.10397	0.1
161.02444	0.1
163.04045	0.3
187.17931	0.1
194.09674	0.1
234.13586	0.1
250.46616	0.1
268.96198	0.1
458.22159	0.6
458.72641	0.3
459.22556	0.1
508.35458	0.2
569.30255	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	569.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83851	1.0
59.01380	9.2
61.15005	1.0
61.98833	11.3
69.39363	8.6
69.39776	2.7
71.01385	5.5
72.99285	1.1
82.02988	4.3
83.01380	1.1
85.02963	2.0
88.98830	2.0
89.02464	2.1
99.00980	1.1
101.02472	3.4
113.02454	2.3
123.04536	1.2
125.02369	1.2
130.08757	1.9
131.07144	2.9
136.01685	4.1
137.02492	1.4
147.04478	1.2
149.02478	1.6
150.03265	1.7
151.03995	6.3
152.01215	1.6
153.05597	1.2
161.02496	1.8
162.04370	1.2
164.03583	2.1
165.05579	3.2
165.84378	1.1
167.03528	2.1
169.12817	1.0
173.08209	1.5
174.01949	1.7
174.05626	2.1
188.07144	2.2
189.03090	2.9
191.04649	2.0
192.99707	2.6
193.05078	1.3
204.05382	1.5
214.05254	1.0
215.04648	1.3
216.05121	1.8
216.06726	3.6
217.02611	8.9
217.06226	6.5
217.27286	1.0
229.06238	2.6
230.03291	2.9
231.07767	9.8
232.08409	4.6
233.09290	2.8
241.06136	2.4
242.03261	1.5
243.04095	15.1
243.07794	2.4
244.04871	7.4
244.09830	1.6
245.09343	2.1
248.09187	3.1
249.05147	3.9
254.06783	1.1
256.05042	1.3
257.05624	12.2
258.06235	2.7
259.07211	50.1
260.07584	4.8
269.05551	1.1
269.09219	2.0
271.07169	8.8
285.05338	2.2
285.08829	3.7
287.10370	15.0
289.08249	3.2
289.11713	1.0
291.09888	19.9
295.07385	1.8
297.05353	2.4
298.05850	1.2
302.05319	5.2
303.06171	3.1
303.09827	2.9
313.08307	48.6
314.08701	4.3
316.06967	2.9
317.07703	11.6
331.09409	8.9
335.08667	5.2
339.06421	2.6
345.10962	14.8
346.11029	1.6
349.10349	1.7
371.08859	12.0
372.09183	1.6
373.10455	2.1
375.08331	1.4
389.09848	1.9
405.12943	1.5
407.10687	11.4
449.12039	2.1
477.11514	2.5
479.13120	2.9
493.14761	2.1
509.14169	37.9
510.14255	5.3
519.12775	2.2
537.13556	14.0
538.13599	2.4
551.15094	3.5
569.16266	100.0
570.16394	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	567.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03456	0.6
58.00599	0.2
59.01382	14.1
60.01708	0.2
61.98833	100.0
69.03448	0.2
71.01391	7.6
71.71204	0.2
72.99321	0.4
73.02949	2.5
75.00894	0.3
83.01395	1.1
83.38540	0.2
85.02955	3.8
85.91224	0.2
86.03301	0.2
87.00905	0.4
88.98819	0.2
89.02457	1.5
95.01397	0.9
95.05087	0.2
97.02950	0.4
99.00896	1.2
101.02460	5.1
109.06676	0.2
111.00911	0.6
113.02457	3.1
114.05680	0.2
119.03505	0.5
120.07150	0.2
121.02950	0.4
123.01012	0.2
125.02459	0.3
129.01923	0.2
133.02921	0.3
143.03447	0.2
145.45656	0.1
146.02663	0.2
155.10811	0.4
159.03026	0.6
161.02512	0.3
161.04588	1.8
179.03412	0.2
193.04953	0.2
199.09805	0.5
204.06718	0.3
211.76189	0.2
256.06992	0.2
345.30124	1.3
361.15259	0.3
507.35352	26.4
508.35736	4.7
567.34344	0.4
568.31494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26834	0.2
59.01381	1.2
61.98832	100.0
67.19665	0.2
71.01367	0.2
89.52951	0.2
93.25204	0.2
95.01546	0.2
101.02413	0.2
108.74504	0.2
111.48965	0.2
113.02510	0.2
129.53252	0.2
136.02960	0.2
143.64717	0.2
147.68660	0.2
209.27887	0.2
210.02046	0.2
230.13615	0.3
285.31964	0.2
404.39026	0.2
447.18109	0.2
490.89145	0.2
505.33835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27050	1.2
59.01381	31.1
61.98833	100.0
63.99261	2.0
67.78893	1.5
71.01385	21.1
71.72219	2.5
72.99309	3.2
73.02953	2.8
75.00891	2.0
83.01421	1.7
85.02943	7.0
87.00903	3.2
89.02456	26.8
95.01421	2.0
97.50946	1.5
101.02438	12.6
109.02926	1.8
111.00924	2.3
113.02478	10.3
116.96120	1.3
119.03526	11.4
121.02969	2.2
124.17843	1.5
125.02454	2.5
125.63946	1.5
131.03545	1.7
132.02162	2.0
133.02968	24.5
134.03947	1.8
135.04552	16.4
137.02452	4.0
138.03285	2.7
143.03555	3.4
145.02985	5.9
147.04524	3.6
149.02472	5.3
149.06097	3.9
150.03252	9.1
151.03972	1.8
153.05525	1.8
161.02467	71.8
161.04614	5.5
162.02803	4.5
165.01968	2.2
165.05571	16.4
167.07141	5.8
175.04001	3.5
177.01939	7.6
177.05576	3.6
178.02692	4.0
179.03551	14.9
179.05632	14.4
179.07043	2.7
180.04230	2.1
183.10326	2.6
192.04288	2.8
193.05055	4.6
195.06578	9.6
209.08189	2.5
209.11795	3.5
220.34514	1.7
221.04607	4.7
225.05531	1.6
251.05261	1.8
251.07503	2.0
253.05128	2.5
256.11063	10.5
267.06696	5.5
267.10168	2.4
275.61691	1.6
281.06696	5.0
283.09769	3.9
284.10526	5.7
292.00430	1.6
295.09720	6.3
296.10507	12.7
297.11255	5.8
310.08459	5.7
311.09283	29.3
312.10019	51.5
313.10464	3.6
323.07397	1.8
327.12399	82.5
328.12738	10.8
331.63187	1.5
341.08844	3.5
342.04657	1.5
357.13416	3.6
374.41904	1.6
383.49948	1.4
405.17465	2.0
477.17456	2.9
489.17325	2.8
519.15405	1.8
523.27856	2.5
533.64154	1.4
535.15320	2.0
549.16052	24.4
550.16400	6.2
558.87604	1.7
567.17236	20.5
567.25684	4.3
568.17609	4.2
588.52679	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	567.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
58.23149	0.2
59.01382	4.1
61.98835	5.8
68.53918	0.1
69.59220	1.2
69.59644	0.4
71.01395	2.3
72.99322	0.3
73.02950	0.2
77.03963	0.2
77.74161	0.2
83.01405	0.3
85.02957	0.6
88.98819	1.2
89.02457	1.2
89.99199	0.2
95.01417	0.2
95.05026	0.2
98.20617	0.2
101.02470	1.2
105.03484	0.6
113.02451	0.6
116.92860	0.2
117.03500	1.3
119.03528	0.3
121.02966	0.2
123.04550	0.2
125.02462	0.2
125.03548	0.2
132.02216	1.0
133.02982	27.3
134.03632	1.0
135.04550	11.3
136.04852	0.5
137.02487	0.7
139.04048	0.3
149.02409	0.2
149.06146	0.9
160.01741	0.2
161.02467	100.0
162.02798	5.4
163.04095	0.2
165.05655	0.2
165.10670	0.2
177.01915	0.3
177.05595	1.8
178.02745	0.3
179.03517	9.2
180.03835	0.6
193.04984	0.3
221.04610	2.5
240.10153	0.2
251.05629	0.8
265.07269	0.4
281.06665	1.7
301.10846	0.3
329.07397	0.2
475.25546	0.2
567.24548	83.9
568.24878	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	566.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01209	0.1
53.56598	0.1
56.91033	0.1
59.01372	0.4
61.98832	100.0
62.98535	0.2
62.99263	0.2
69.66754	1.0
75.49766	0.1
87.03807	0.1
90.49429	0.1
92.89417	0.1
97.66595	0.1
98.06827	0.1
103.84074	0.1
108.99061	0.1
134.00177	0.1
156.90782	0.1
194.63734	0.1
197.98537	0.1
219.52614	0.1
503.33536	0.8
504.34003	0.3
529.31927	0.5
530.32007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60027	0.2
58.61136	0.2
59.01374	0.9
61.98833	100.0
69.51084	0.2
69.51492	1.6
74.07147	0.2
74.90354	0.2
92.17142	0.2
93.19621	0.2
98.20671	0.4
98.83228	0.2
99.00919	0.3
101.73383	0.2
101.81660	0.2
111.61019	0.2
128.92317	0.2
417.90643	0.2
485.32639	0.3
503.33719	6.6
504.34006	1.1
566.32855	0.2
567.32483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1729
Annotation	Caudatoside E
Peak:m/z	Relative Intensity
56.87321	0.4
57.03455	0.5
58.00595	0.5
59.01383	8.1
59.05106	0.4
61.63847	0.4
61.98834	26.7
62.71236	0.4
69.54404	3.8
71.01391	6.7
73.02959	0.9
75.00848	0.4
83.01408	0.9
85.02937	2.0
87.00883	1.2
89.02454	5.1
93.03506	0.5
95.01406	0.6
99.00941	0.5
101.02462	4.8
103.00383	0.6
105.03527	0.5
107.19093	0.4
109.03004	0.7
113.02463	2.2
116.86037	0.4
117.03506	1.1
118.98116	0.5
119.03502	2.3
121.02972	1.0
123.00877	0.6
123.04567	0.5
124.01641	0.5
125.02489	0.7
128.57893	0.4
131.03474	0.4
132.02243	2.8
133.02979	39.8
134.03708	2.1
135.04543	20.1
136.01756	0.5
136.04877	0.9
137.02466	1.5
138.03249	0.9
140.07104	0.4
145.02942	0.5
149.02452	2.3
149.06104	2.7
150.03236	1.2
151.03972	0.7
153.05585	0.6
160.01740	1.9
161.02467	100.0
162.02802	5.6
165.02057	1.0
165.05597	1.4
166.02773	0.5
167.07074	0.5
175.04007	3.0
176.01125	0.8
177.01952	12.6
177.05560	5.7
178.02727	5.5
179.03517	19.8
179.05530	1.0
180.03983	1.6
181.05092	0.5
183.26282	0.5
191.03493	0.8
191.07103	0.6
192.04323	3.9
193.05051	6.4
194.05528	0.7
195.03035	1.0
195.06673	0.6
203.03471	0.7
205.05043	0.5
207.06636	0.8
210.05385	1.0
221.04573	6.6
222.04868	0.7
225.07698	1.9
235.06100	2.8
251.05562	4.9
252.05804	0.6
256.11032	0.6
265.07135	1.9
281.06656	10.5
282.06964	0.6
295.08200	2.4
296.10648	0.9
297.11459	0.6
300.09738	0.6
311.09418	1.9
312.09958	3.0
313.10556	0.6
315.12326	1.7
323.07684	0.7
327.12399	6.2
328.12857	0.8
341.08774	3.9
345.15555	5.1
346.15906	0.5
355.10361	1.0
369.09521	0.4
373.11371	0.9
379.12515	0.5
387.14005	0.5
405.17596	0.6
477.17715	0.7
519.15131	0.5
535.15509	0.7
549.16089	38.2
550.16376	7.7
567.17114	24.8
568.17798	4.9
581.68140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10966	0.2
53.26707	0.1
55.29151	0.1
56.36694	0.1
59.01381	2.2
61.98835	100.0
62.98540	0.3
71.01403	0.3
79.95739	0.2
81.06603	0.1
85.02962	0.2
96.96030	0.2
98.20677	0.3
101.02485	0.2
113.02505	0.2
133.02997	0.2
135.04558	0.2
137.63425	0.2
145.02930	0.2
160.82195	0.2
161.02524	0.4
186.89639	0.1
230.44467	0.2
429.30389	0.3
441.30151	0.2
473.29263	0.9
503.30185	10.0
504.30396	1.7
534.31763	0.1
537.26996	0.3
567.30756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
61.98833	100.0
62.66129	0.2
71.08997	0.4
85.02973	0.3
93.27034	0.1
96.96056	0.2
125.03340	0.2
126.92693	0.2
192.13055	0.1
208.16782	0.2
334.45438	0.2
397.69293	0.2
451.19131	0.2
503.30426	0.6
567.30518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01424	0.1
57.03440	0.1
58.79042	0.1
59.01383	1.2
61.98833	100.0
62.05865	0.1
62.98536	0.3
70.63743	0.1
70.64092	0.4
71.01395	0.7
72.99349	0.1
73.02953	0.1
73.19824	0.1
75.00914	0.1
78.95931	0.4
83.01415	0.2
84.02213	0.1
85.02984	0.4
86.39057	0.1
89.02457	0.2
96.96996	0.1
101.02467	0.4
111.00916	0.1
113.02493	0.2
146.75816	0.1
148.35027	0.1
151.03758	0.1
152.38518	0.1
161.02498	0.2
161.04616	0.2
165.05682	0.1
166.02641	0.1
244.10182	0.1
255.06647	0.3
270.45084	0.1
381.68765	0.1
505.34036	0.2
506.34476	0.5
507.34995	0.5
529.09515	0.1
566.27502	0.3
567.21442	0.1
567.29688	0.3
568.08362	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	566.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03448	2.6
58.00595	1.7
59.01381	68.6
60.01719	1.4
60.99304	1.2
61.98833	100.0
68.99814	0.4
69.03448	0.9
70.02197	0.4
71.01386	31.3
71.71642	0.4
72.99313	2.5
73.02952	5.6
75.00884	0.9
81.03479	0.8
83.01392	6.0
85.02961	12.5
86.00094	0.4
86.03316	0.4
87.00887	4.1
87.04552	0.7
88.98833	1.1
89.02450	20.2
90.02810	0.6
93.03463	0.9
95.01405	3.1
97.02962	2.0
99.00888	2.5
101.02458	25.4
102.02811	1.0
108.02224	0.5
109.03011	0.8
111.00917	1.4
113.02469	14.8
113.03245	0.8
114.02846	0.7
115.00428	0.6
116.92889	0.8
119.03526	9.2
119.04983	0.6
121.03003	0.5
123.04535	1.0
124.01631	0.4
125.02453	3.1
129.01967	0.6
131.03531	1.1
133.02916	0.8
134.03714	0.4
135.04535	1.9
137.02470	1.6
141.01974	0.5
143.03519	3.5
145.02939	0.5
145.05122	0.4
150.03270	0.7
152.01186	0.8
153.01956	0.7
153.05623	0.8
159.03033	1.1
160.01735	0.6
161.02499	2.5
161.04578	6.4
165.04294	0.4
165.05594	1.5
167.03600	0.6
171.06464	0.4
175.02522	0.7
175.04015	1.1
179.03532	1.0
179.05640	3.8
193.05093	0.4
195.06703	0.9
204.06709	1.2
221.04774	0.5
221.06728	2.1
242.16049	2.2
285.26834	0.4
297.08923	0.4
323.09756	1.8
371.19748	1.2
383.12213	0.9
399.23871	19.0
400.24304	2.8
404.21329	16.1
404.71436	7.6
405.21667	1.8
417.24954	7.3
418.25247	1.3
423.32700	9.5
424.32962	2.1
459.25885	3.2
485.16101	1.4
485.24030	45.5
485.32755	39.5
485.74075	21.3
486.24377	4.8
486.33121	11.6
487.33530	1.1
494.24454	0.9
505.33664	0.9
506.34061	1.6
527.33777	0.6
545.17267	1.0
566.26624	19.9
566.76794	11.5
566.85199	0.8
567.27112	4.3
573.69592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
61.98832	100.0
62.98545	0.1
62.99273	0.1
69.81779	0.1
71.01392	1.4
71.71655	0.2
72.99329	0.1
73.02960	0.4
83.01434	0.2
85.02999	0.3
87.00900	0.2
88.98874	0.1
89.02450	1.3
95.01421	0.2
99.00900	0.1
101.02467	0.8
109.02963	0.1
113.02475	0.6
117.03475	0.2
119.03550	0.5
121.03009	0.1
123.00898	0.1
125.02484	0.2
130.66704	0.1
132.02200	0.1
133.02983	3.3
133.03999	0.2
134.03781	0.3
135.04529	1.7
135.05490	0.2
137.02477	0.3
138.03271	0.1
145.03026	0.1
147.04497	0.2
149.02483	0.4
149.06110	0.1
151.03893	0.1
153.05620	0.2
160.01649	0.2
161.02463	9.3
162.05553	0.1
163.95888	0.1
165.05591	0.3
167.03482	0.2
175.04083	0.4
176.01173	0.3
177.01930	1.3
177.05498	0.6
178.02713	0.5
179.03513	1.8
179.05611	0.6
180.04321	0.2
180.05974	0.2
181.06187	0.2
191.03526	0.4
192.04282	0.3
193.05087	0.9
195.06641	0.2
202.49249	0.1
205.05121	0.1
220.06146	0.2
221.04601	0.5
221.06570	0.3
223.06158	0.2
235.06155	0.3
251.05669	0.5
256.11264	0.2
265.07175	0.3
281.06726	1.1
284.11014	0.2
295.08191	0.3
296.10593	0.4
310.09039	0.2
311.09277	0.4
312.10071	0.9
327.12360	1.7
328.10416	0.1
341.08832	0.4
386.11197	0.1
395.61884	0.1
404.11807	0.3
506.15198	0.2
522.26331	0.3
523.27411	0.1
549.16034	3.7
566.17108	0.2
567.16980	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	565.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68097	0.7
55.01882	2.5
57.03451	2.4
58.00594	1.3
59.01383	36.2
60.01719	1.1
61.98835	79.6
69.03485	1.0
71.01393	34.2
72.84789	0.8
72.99318	2.6
73.02956	10.3
75.00887	1.8
78.95933	2.0
83.01396	6.3
83.04963	0.8
85.02970	16.0
85.03452	1.5
87.00896	2.9
88.98814	2.4
89.02455	11.4
95.01402	3.9
95.63721	0.8
98.19837	1.7
99.00896	3.9
101.02467	22.5
111.00900	3.7
113.02469	13.2
119.03529	3.2
119.05050	1.8
125.02460	2.9
129.02019	1.0
133.02950	1.8
134.03822	1.2
143.03555	1.6
145.02925	1.1
151.00406	1.5
159.03033	1.5
161.02432	2.4
161.04579	4.9
163.04001	1.3
165.05589	1.1
175.04082	0.9
203.84581	0.8
204.06674	0.8
221.20947	0.8
255.06641	16.5
297.07635	4.7
343.28717	2.5
485.24371	1.3
485.32480	0.9
505.33841	100.0
506.34180	16.0
565.20514	1.9
565.33105	2.6
566.27942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36475	0.6
51.92404	0.6
55.01867	1.8
57.03457	2.7
58.00588	0.8
59.01383	42.1
61.98834	22.1
71.01389	31.0
71.71231	1.0
72.01726	0.7
72.99320	1.5
73.02960	7.7
83.01401	5.3
85.02445	0.8
85.02962	15.1
87.00896	1.6
88.98829	1.1
89.02453	6.3
95.01389	3.5
97.02970	1.1
99.00899	3.8
101.02464	21.1
109.06491	0.5
111.00921	3.0
113.02461	12.1
117.03524	0.7
119.03509	2.1
125.02460	1.6
133.03001	0.6
135.04543	1.1
136.01697	2.8
139.04089	0.6
143.03542	1.0
149.06046	0.5
151.03995	3.3
152.01318	0.5
152.84888	0.6
159.03001	2.1
161.02417	1.5
161.04608	7.5
165.05605	0.9
166.02716	2.8
175.04045	0.7
179.03534	0.9
179.05666	0.7
181.05089	2.5
186.81560	0.5
190.06334	0.7
208.71094	0.6
297.24426	0.8
343.15509	5.5
343.28552	3.2
344.15805	1.1
403.17676	5.1
404.18060	0.7
505.33820	100.0
506.34189	15.8
506.39877	0.4
565.22351	1.6
565.36548	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	565.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03438	0.4
58.51622	0.2
59.01385	4.4
61.98830	1.6
71.01387	3.4
71.48730	0.4
71.49092	0.2
72.39608	0.2
72.99317	0.4
73.02954	0.9
79.98890	0.2
83.01382	0.6
85.02955	2.0
87.00883	0.6
87.66851	0.2
88.18452	0.2
89.02471	0.6
89.98724	0.2
95.01400	0.5
95.05032	0.4
101.02463	2.1
105.03467	0.6
111.00885	2.0
113.02474	1.4
117.03497	0.9
119.03577	0.2
119.05064	0.2
121.02993	0.5
122.66237	0.2
123.04562	0.3
125.02499	0.3
132.02193	12.5
133.03018	3.7
134.03766	16.6
135.04614	1.1
136.01677	0.2
137.02443	1.2
139.04037	0.4
147.04567	0.3
149.06134	2.3
150.03311	0.2
155.10806	0.3
159.03079	0.2
160.01677	69.8
161.02055	3.7
161.04544	0.2
165.05580	0.4
172.16704	0.2
175.04024	79.9
176.04358	5.0
177.01920	0.6
177.05606	0.5
178.02724	1.0
179.03543	1.6
181.05023	0.3
193.05075	12.6
194.05438	0.7
221.04500	0.7
227.16641	0.3
235.05933	0.3
283.09723	0.2
299.44565	0.2
326.11533	0.2
339.07480	0.2
341.13983	0.4
361.95468	0.3
409.34756	0.2
505.33926	0.8
550.24225	0.7
565.26593	100.0
566.26965	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	564.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.91701	0.1
61.98831	100.0
62.98554	0.2
71.70753	0.1
71.71188	0.1
79.95732	0.2
97.95139	0.1
103.67930	0.1
124.35747	0.1
141.60553	0.1
144.17778	0.1
148.52701	0.1
222.20271	0.1
304.67310	0.1
565.28717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.51147	0.3
98.19801	0.4
98.27457	0.2
112.61102	0.2
129.05226	0.2
190.97760	0.2
193.79227	0.2
368.19067	0.2
404.32224	0.3
469.33209	1.4
470.33743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03450	1.7
58.00604	1.2
59.01381	28.5
60.99317	0.4
61.98831	39.3
64.78222	0.4
66.74883	0.4
69.03467	0.7
71.01385	20.5
72.01727	0.4
72.99318	1.5
73.02948	4.3
75.00870	0.7
81.03477	0.5
83.01387	3.7
83.05035	0.4
85.02962	8.5
86.49789	0.3
87.00880	2.2
88.98824	0.6
89.02457	10.9
89.03988	0.5
90.18327	0.4
93.03407	0.4
94.95327	0.4
95.01401	1.7
97.02976	0.7
98.20689	1.4
99.00896	1.9
99.04567	0.5
101.02460	13.9
108.02222	0.6
109.02984	0.6
111.00876	1.9
113.02466	8.9
116.92870	0.9
117.03479	1.1
119.03515	4.2
119.05029	0.4
121.02898	0.8
123.04532	1.1
125.02426	2.2
129.01952	0.7
130.08754	0.6
131.03520	1.3
132.02199	13.7
133.02991	4.5
134.03764	19.0
135.04596	2.2
137.02484	1.8
139.03975	0.5
143.03526	1.5
145.02956	0.5
147.04518	0.7
149.02448	0.4
149.04927	0.5
149.06042	2.5
150.03279	0.5
152.01237	0.6
153.01958	0.6
153.05612	1.5
154.08803	0.6
155.10744	0.6
159.02989	0.6
160.01675	78.1
161.02153	5.1
161.04573	3.7
165.05583	1.5
167.03499	1.1
175.04024	84.7
176.04346	5.4
177.01927	0.9
177.05571	0.7
178.02739	1.3
178.99800	0.4
179.03487	1.9
179.05630	1.8
193.05074	14.1
194.05547	0.6
204.06630	1.2
221.04572	0.5
221.06642	0.9
242.15985	1.0
283.11020	0.5
323.09824	0.5
404.21307	9.2
423.32806	4.4
485.23871	25.7
485.32626	21.1
503.26120	0.5
505.33633	3.8
521.29541	0.9
523.34741	0.8
533.13800	0.5
535.30359	0.5
545.17059	1.1
550.23810	0.8
564.31421	0.4
565.26514	100.0
566.26782	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	564.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66296	0.1
59.01379	0.4
59.20109	0.2
61.98834	100.0
70.86633	0.2
70.86974	0.4
124.02267	0.2
126.21912	0.2
205.88130	0.2
211.03326	0.2
501.32281	0.8
518.32233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95132	0.2
61.98834	100.0
62.98520	0.3
67.28943	0.2
69.89717	0.4
69.90121	1.2
70.06161	0.2
71.05029	0.7
72.94891	0.2
83.94271	0.2
242.69026	0.2
260.87366	0.3
284.17761	0.3
334.48563	0.3
377.28384	0.6
390.57483	0.3
392.85135	0.3
393.31586	0.6
394.31711	0.3
411.32663	0.9
457.33182	1.4
471.34851	5.2
483.31085	0.3
501.32233	54.3
502.32565	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	564.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
59.90726	0.1
61.08294	0.1
61.98835	100.0
62.98539	0.2
83.07507	0.1
83.08050	0.1
96.53912	0.1
501.32516	0.5
502.32666	0.1
504.34335	0.1
545.38910	0.1
548.98529	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	564.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34969	0.1
58.22139	0.1
61.98833	100.0
62.98531	0.2
62.99277	0.1
63.60832	0.1
71.48500	0.3
76.60760	0.1
158.04387	0.1
255.13510	0.1
277.32224	0.1
305.34390	0.1
427.32159	0.3
471.31326	0.8
501.32217	9.7
502.32590	1.5
532.49817	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	564.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98526	0.2
69.54520	1.2
69.54832	0.2
77.24252	0.1
135.75185	0.1
179.58727	0.1
295.63474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
61.98832	100.0
62.98525	0.2
71.01396	0.7
73.02953	0.1
75.47352	0.1
78.95924	0.2
81.66560	0.1
82.03384	0.1
83.01428	0.2
85.02978	0.4
87.04547	0.2
88.57704	0.1
89.02471	0.4
98.19732	0.2
101.02464	0.4
111.00923	0.4
113.02471	0.3
121.02950	0.1
121.06689	0.1
121.42998	0.1
125.02487	0.2
130.08920	0.1
137.02489	0.1
158.06224	0.1
161.02544	0.1
161.04517	0.1
165.05638	0.1
190.20592	0.1
204.06729	0.2
230.31790	0.2
308.12915	0.3
309.13159	0.1
343.06201	0.1
487.00647	0.1
487.22128	0.2
496.15491	0.1
505.33844	0.9
564.34540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57145	0.1
54.49980	0.1
57.03451	0.2
59.01382	2.7
60.33348	0.1
61.98835	100.0
62.98527	0.2
63.99261	0.2
71.01391	1.7
71.71902	0.2
72.03812	0.1
72.99310	0.3
73.02960	0.4
74.02465	0.2
75.00857	0.1
78.95917	0.1
83.01417	0.3
85.02986	0.9
87.00895	0.2
88.98812	0.2
89.02473	0.6
90.60970	0.1
90.80662	0.1
93.03496	0.1
95.01440	0.2
97.02995	0.3
99.00909	0.2
101.02445	0.7
102.28278	0.1
105.00330	0.1
108.02242	0.1
111.00915	0.4
113.02480	0.7
116.92882	0.2
119.03522	0.2
121.02940	0.2
122.06186	0.2
125.02461	0.4
133.03004	0.4
134.03748	0.2
135.04539	0.4
137.02481	0.2
143.05774	0.1
147.04564	0.2
149.02504	0.2
149.06084	0.1
150.03244	0.5
153.01953	0.2
153.08199	0.1
160.01697	0.6
161.02490	0.9
161.04585	0.3
162.02698	0.1
165.05605	0.9
175.04059	0.6
176.04384	0.2
179.03552	0.3
195.06616	0.3
196.06978	0.1
204.06731	0.4
221.04636	0.2
224.12735	0.1
229.20087	0.1
253.09317	0.1
287.20538	0.2
339.08713	0.3
343.36429	0.1
354.10962	0.1
369.13663	0.5
402.25858	0.2
406.13229	0.1
426.18802	0.2
458.15756	0.2
461.30829	0.1
465.26837	0.2
467.16376	0.8
467.66721	0.4
468.16913	0.2
483.68152	0.2
504.18515	0.2
504.32608	0.3
505.33853	0.3
564.25256	0.6
564.33490	0.7
565.22760	0.4
565.36395	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	564.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37486	0.1
57.03455	0.3
59.01382	3.1
59.86963	0.1
61.98835	100.0
62.98545	0.3
69.03439	0.1
69.81380	0.3
69.81810	0.4
71.01393	1.9
72.01724	0.1
72.99339	0.3
73.02932	0.7
74.02460	0.1
75.00897	0.1
81.03451	0.1
83.01412	0.3
84.83498	0.1
85.02972	1.2
87.00894	0.3
88.98856	0.1
89.02440	0.8
91.32072	0.1
93.73071	0.1
95.01412	0.2
95.05052	0.2
96.55456	0.1
99.00894	0.2
101.02467	1.1
102.02739	0.1
109.02986	0.2
111.00928	0.5
113.02464	0.9
116.05120	0.1
119.03544	0.2
123.04554	0.3
125.02489	0.3
129.01990	0.3
132.02211	0.4
133.02986	0.3
134.03789	0.7
135.04463	0.2
137.02507	0.5
143.03520	0.1
149.02490	0.1
153.01900	0.1
153.05652	0.5
159.03073	0.2
160.01683	1.8
161.02177	1.1
161.04637	0.4
167.03639	0.1
175.04012	1.9
176.04393	1.1
179.03557	0.2
179.05812	0.1
185.00758	0.1
193.05060	0.5
194.05508	0.1
204.06667	0.5
205.05183	0.1
228.06862	0.1
402.26425	0.2
405.95081	0.1
503.89542	0.1
504.32776	0.2
505.33853	0.6
521.20398	0.1
526.80768	0.1
564.24701	3.1
565.25775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27191	0.1
56.07144	0.1
59.01384	1.1
59.09418	0.2
61.98834	100.0
62.50292	0.1
71.03949	0.4
73.02931	0.1
81.66417	0.1
87.81952	0.2
144.41275	0.2
242.84253	0.2
261.45303	0.2
267.62256	0.2
278.43979	0.2
333.51733	0.2
411.29202	0.4
455.28046	0.8
478.56552	0.2
501.28030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00302	0.1
57.34619	0.1
59.01375	0.4
61.98831	100.0
62.98538	0.3
66.06963	0.1
66.13615	0.1
70.27759	0.1
71.01424	0.1
79.95733	0.1
98.20618	0.4
125.02793	0.1
129.08388	0.1
140.55382	0.1
153.89296	0.1
159.91570	0.1
230.27261	0.1
457.29861	0.3
497.90314	0.1
501.28006	1.1
502.28366	0.2
565.28888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21487	0.1
57.01245	0.1
59.01375	0.7
61.98833	100.0
62.98529	0.2
63.76772	0.1
71.71134	0.1
75.51281	0.1
87.42999	0.1
88.98814	0.1
105.40057	0.1
181.09067	0.1
191.13196	0.1
457.29770	0.3
470.49191	0.1
501.28152	1.2
502.28580	0.2
537.02728	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	563.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03452	1.8
58.00597	4.7
59.01380	100.0
60.01722	1.4
60.99296	0.9
61.98843	4.4
67.74274	0.6
71.01388	62.7
71.71687	1.0
72.01720	1.4
72.99314	4.7
73.02943	2.1
75.00899	1.4
77.73387	0.6
83.01406	2.2
85.02958	10.7
87.00883	4.9
88.98826	5.4
89.02455	87.4
90.02771	1.7
95.01376	4.4
99.00888	1.2
101.02459	35.0
102.02791	0.7
106.34148	0.7
107.03529	0.8
111.00895	1.5
113.02464	26.7
114.02808	1.2
115.00404	2.8
119.03521	34.2
120.03830	0.9
125.02477	1.5
128.03510	0.9
131.03528	5.0
133.14825	0.6
143.03529	11.0
143.04601	1.6
147.04547	0.8
149.04576	3.0
150.03259	0.7
158.38141	0.5
161.02467	1.4
161.04559	13.7
164.96819	0.7
165.05655	0.9
169.50056	0.6
175.02480	4.4
175.03885	1.2
175.14999	1.2
179.05632	84.3
180.05969	4.0
180.93158	0.6
190.06346	0.9
217.59091	0.7
219.10242	2.0
222.80634	0.6
233.15459	14.1
237.05696	0.7
245.15474	2.0
267.07135	0.8
287.16434	3.0
303.48553	0.6
306.07538	1.1
323.18698	0.6
359.14935	1.1
359.42899	0.7
407.43033	0.6
413.21817	16.7
414.22073	2.2
425.21555	1.0
443.22571	2.5
467.22894	4.7
503.25266	4.7
504.25662	1.1
545.18695	4.2
563.19592	0.8
564.18195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.77829	0.6
57.03431	0.9
58.00601	0.7
59.01380	61.4
59.95244	0.5
60.56376	0.7
61.98834	8.4
69.03445	1.4
71.01385	24.7
72.99339	0.7
73.02952	24.1
75.00883	0.9
80.70200	0.5
83.01398	7.8
85.02968	9.9
87.00903	0.7
89.02464	8.5
95.01404	3.0
96.96028	1.0
97.02936	0.6
101.02459	28.4
102.02782	0.9
107.01412	2.2
113.02467	24.1
114.02812	1.1
119.03515	3.9
121.02956	1.1
123.04546	0.9
125.02480	2.1
131.03526	3.5
132.02176	1.8
133.02992	2.6
134.03737	0.7
135.00885	0.8
135.04565	1.7
143.03549	2.7
145.02959	1.8
147.04555	1.4
149.04599	2.3
151.00412	3.3
160.01672	1.8
161.02477	6.0
161.04533	5.6
163.00348	1.3
165.05608	4.0
167.03516	1.5
175.04010	2.1
178.99902	0.9
179.03503	1.0
187.03987	0.9
189.05540	0.7
200.04984	0.7
203.05681	0.6
211.04036	1.0
212.04672	0.9
224.04836	1.7
225.07599	1.4
227.03508	29.9
227.10883	0.9
228.03958	2.3
229.05023	1.8
238.06377	2.0
239.10823	1.0
241.08687	0.8
252.04446	0.7
255.02985	65.9
255.10236	3.3
256.03430	8.3
257.04498	2.0
266.05920	1.5
269.11905	1.3
270.12442	1.4
271.02628	1.0
280.07596	0.6
282.08881	1.6
283.02704	1.7
283.09763	16.9
284.03265	100.0
284.09946	2.3
285.03848	19.9
286.04630	0.9
294.08966	1.0
295.09860	2.4
296.10547	1.3
298.12128	2.4
300.02829	1.6
310.08807	0.7
310.12198	1.7
311.09265	37.2
312.09641	3.5
325.10834	4.2
326.11603	22.6
327.11935	2.0
330.11185	0.7
337.09171	1.3
341.13950	42.5
342.14243	6.0
353.10165	0.8
387.12973	1.3
401.12158	0.9
413.08908	0.8
563.14069	85.9
563.24194	3.7
564.05469	0.9
564.14362	16.6
564.23523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36590	0.7
58.00597	2.0
58.73699	0.8
59.01380	58.8
60.01716	0.8
60.99292	3.7
61.42300	0.7
69.03434	1.1
71.01389	43.3
71.71144	1.2
72.01722	1.2
72.99313	28.7
73.02954	5.9
75.00874	6.8
75.44182	0.7
76.98772	0.8
83.01387	1.6
85.02962	7.9
87.00880	20.8
88.98798	0.9
89.02454	64.5
90.02769	0.8
90.14017	0.9
95.01390	2.4
97.02981	1.6
99.00880	1.6
101.02455	28.8
102.36933	0.7
103.00362	1.7
105.01936	2.6
111.00886	1.2
111.01994	1.2
112.98823	2.2
113.02467	19.6
115.00380	7.6
115.03968	0.8
117.01939	7.2
119.03525	7.6
119.05003	1.5
125.02451	2.0
129.01936	1.4
131.03461	3.8
133.01447	31.5
134.01810	0.9
135.02995	1.7
139.00317	1.3
141.01862	1.6
143.03520	5.7
145.01448	11.7
149.04539	1.5
150.17152	0.8
151.91144	0.9
153.05586	1.3
161.00900	1.9
161.02420	1.1
161.04581	7.2
164.04755	1.1
166.02635	0.8
176.04779	0.8
177.04097	1.3
179.03485	1.7
179.05632	38.5
179.07065	2.0
180.05966	1.4
181.05176	2.0
194.05882	3.6
204.97388	0.7
209.08174	3.7
220.94951	1.2
221.03120	9.1
221.06636	29.1
222.03304	0.9
222.07002	0.9
233.06636	1.1
265.07074	2.6
267.07251	1.2
281.08826	1.1
323.09738	3.0
341.10913	6.5
408.22955	1.1
427.12692	1.0
503.16168	100.0
504.16541	13.6
538.04950	1.0
563.16144	11.2
564.16486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72851	0.4
54.65923	0.4
55.01874	1.3
57.03429	1.5
59.01381	3.7
61.98821	0.6
64.39997	0.5
69.03440	0.7
69.98653	0.7
69.99066	2.4
71.01391	8.5
72.99304	2.0
73.02962	4.1
74.99691	0.4
75.00867	0.4
76.81536	0.5
81.03453	0.5
83.01390	1.6
85.02972	4.4
87.00887	26.7
89.02448	1.8
95.01391	4.5
97.02967	1.1
98.20274	1.5
99.00891	5.2
100.01662	0.8
101.02464	3.6
105.01921	0.8
109.02966	0.9
111.00898	5.1
112.98832	7.3
113.02434	1.5
115.00359	1.4
123.00899	7.4
124.01649	1.8
127.04029	1.3
129.01964	1.8
131.03528	0.8
133.01421	0.6
135.04512	0.8
137.02390	0.6
138.03256	5.2
142.99886	5.5
145.01460	3.3
147.03012	0.9
147.04556	1.0
148.78877	0.5
149.02455	1.3
151.00395	1.2
151.04021	1.3
153.05589	6.6
161.02458	6.8
162.02892	0.7
163.04028	7.6
164.04825	4.4
166.02736	3.8
167.03239	0.6
173.00941	30.8
174.01730	7.7
174.03232	1.1
175.04036	3.3
176.04788	6.1
177.01947	1.1
177.05449	0.9
178.06369	8.9
179.03546	9.8
179.05275	0.6
179.05647	0.8
179.07132	9.4
180.07594	0.6
181.05095	5.4
186.03235	0.5
187.04008	0.6
188.04706	0.8
189.01907	0.7
189.05579	1.3
190.02727	2.4
190.06306	0.6
191.03516	6.1
191.05217	0.7
191.07132	4.2
192.04155	1.5
193.05049	0.8
193.08719	11.8
194.05855	13.4
194.08882	0.6
195.06372	1.0
201.01932	0.7
202.87170	0.5
203.03525	4.4
203.07243	0.8
204.04079	1.1
205.05083	4.0
205.08670	0.8
206.05852	6.7
207.06595	1.5
208.07230	0.6
209.08203	17.7
210.08586	1.2
217.04819	0.6
218.05832	1.9
219.02980	4.3
219.06396	0.9
220.03676	1.1
221.04570	1.2
221.06387	0.6
221.08215	7.6
222.05386	0.8
222.08426	0.6
229.01375	1.3
231.03011	1.7
232.03644	0.7
233.04575	1.4
233.08228	1.8
234.05359	4.4
235.02507	0.6
235.06081	2.1
236.06956	0.8
237.07635	2.1
245.04451	0.8
246.05240	0.9
247.02487	6.6
247.06129	1.4
248.02841	0.9
248.06821	0.8
249.03964	0.7
249.05014	0.6
249.07651	7.7
250.04900	0.7
250.07779	0.7
251.09229	0.6
257.12680	0.6
259.06113	0.5
261.04022	2.6
261.07648	0.8
262.04828	11.6
263.05350	1.5
264.06390	1.1
265.07144	12.0
266.07666	1.0
276.06409	4.1
277.07162	33.8
278.07425	2.9
291.08710	2.7
295.08264	2.0
307.53290	0.6
309.10187	0.5
325.09195	1.9
335.06137	0.9
337.09311	32.6
338.09586	3.2
383.09909	2.7
427.12466	2.0
439.12442	1.8
440.12985	0.5
457.13531	1.3
503.16223	2.3
563.16248	100.0
564.16547	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	563.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43930	0.9
56.75781	0.8
56.99805	0.9
58.00584	0.8
59.01382	27.9
60.99310	13.9
62.39599	1.0
67.17699	0.9
71.01392	10.2
71.70348	1.9
72.99317	77.8
73.02965	2.2
73.99653	1.2
75.00881	15.3
76.98783	1.5
83.01386	0.9
84.63967	0.8
85.02954	2.7
87.00887	10.6
89.02459	36.4
92.47243	0.8
95.01411	2.0
99.00895	4.2
101.02466	3.1
105.01955	7.3
111.00879	1.6
112.98831	2.0
113.02459	1.1
115.00393	33.5
117.01965	11.5
123.00929	1.4
127.00386	1.2
129.01976	1.0
131.03540	1.3
133.01457	100.0
134.01793	2.1
135.03021	1.7
138.03293	1.4
142.99910	1.2
145.01456	49.1
146.01794	1.6
153.05605	2.9
154.22133	0.9
156.39841	0.9
161.00943	2.1
161.02448	2.6
163.04007	2.7
164.04752	1.0
166.02802	1.5
170.22694	0.9
173.00996	5.4
174.01744	1.6
176.04836	2.0
177.04108	1.4
178.06308	2.5
179.03520	2.8
179.05724	1.5
179.07161	2.1
191.03479	2.7
191.07187	1.2
193.08687	3.8
194.05838	4.1
205.05023	2.1
206.05971	1.9
209.08202	4.5
210.08778	0.8
219.03040	1.6
220.94940	1.6
221.03038	34.3
221.06502	1.7
221.08324	1.5
222.03308	2.1
234.05258	1.3
238.37263	1.0
241.77908	0.9
247.02431	1.4
249.07710	1.3
262.04825	2.4
265.07178	2.9
274.73383	1.0
276.06509	1.2
277.07260	7.2
278.07486	1.2
317.58066	0.8
337.09378	6.4
341.10971	2.4
383.09750	1.2
440.34720	0.8
503.16202	4.2
563.16296	30.4
564.16766	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	562.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.05239	0.5
79.66332	0.1
116.67027	0.1
169.53418	0.2
178.97249	0.1
191.80489	0.1
499.33875	0.2
562.36963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.98135	0.8
80.74756	0.4
153.82277	0.4
180.28255	0.4
267.94608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1417
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01374	1.1
61.98822	0.4
62.91433	0.2
63.02398	0.2
65.00333	0.4
69.69545	1.4
83.01405	0.4
85.02950	0.2
89.02471	0.4
92.92204	0.2
93.03452	0.3
100.61824	0.2
101.02451	0.4
107.01391	1.5
108.02181	0.4
113.02444	0.4
118.67875	0.2
119.66193	0.2
125.02577	0.3
132.02214	1.0
133.03035	0.2
135.00916	1.0
135.04613	0.2
138.85475	0.2
143.22330	0.2
144.36377	0.2
151.00401	2.2
152.01140	0.3
159.04448	0.2
161.02475	0.4
163.00392	0.8
164.01149	0.6
165.05614	0.2
168.20963	0.2
169.01486	0.2
171.04604	0.3
176.69458	0.2
178.99886	0.7
183.04503	0.6
185.02480	0.4
185.06091	0.2
187.03979	0.5
189.05556	0.3
190.99854	0.2
195.06810	0.2
199.04037	0.6
200.04771	0.6
211.03967	1.7
212.04816	0.2
213.05431	0.4
227.03510	32.7
228.03865	2.6
229.04993	1.7
239.03494	0.8
241.05045	0.4
255.02980	70.3
256.03470	8.7
257.04568	1.2
281.04556	0.3
282.99796	0.2
283.02432	1.4
284.03259	100.0
285.03833	19.7
286.04407	1.1
309.04031	0.3
311.09207	0.3
315.05026	0.2
400.20374	0.2
413.08826	1.4
414.08755	0.2
431.09885	0.4
458.15817	0.2
473.18280	0.7
485.17975	0.7
503.19113	0.4
563.14117	99.4
564.14459	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15027	0.4
61.98832	100.0
64.57349	0.3
69.64622	3.5
75.03943	0.3
87.65995	0.3
129.73833	0.4
138.90092	0.3
173.99049	0.4
416.01746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08963	0.2
59.01382	1.3
61.98837	100.0
65.55786	0.2
68.92543	0.2
71.25533	0.4
71.25893	0.2
88.98846	0.6
101.64640	0.2
135.20418	0.2
175.66953	0.2
190.84142	0.2
468.16043	0.2
519.31580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86410	0.1
55.01863	0.1
57.03452	3.1
58.00620	0.1
59.01382	3.5
61.98834	100.0
62.98525	0.2
64.41041	0.1
69.03448	0.1
69.52457	0.7
71.01391	1.6
72.99306	0.1
73.02956	0.3
74.02495	0.2
83.01407	0.2
85.02961	0.6
86.08224	0.1
87.00890	0.1
88.04053	0.1
89.02460	0.6
95.01418	0.2
97.02987	0.1
98.19879	0.2
99.00919	0.2
99.04530	2.3
99.05151	0.1
100.04909	0.1
101.02460	1.6
108.04591	0.1
110.93671	0.1
111.00933	0.2
112.04067	0.7
113.02467	0.8
119.03551	0.2
120.41911	0.1
123.04573	0.1
125.02471	1.3
126.02802	0.2
128.66460	0.1
131.03532	0.1
132.02220	0.1
133.02966	0.1
134.03741	0.2
135.00894	0.2
135.04558	0.2
143.03528	0.3
151.00385	0.4
152.00893	0.2
153.01933	0.3
160.01686	0.5
161.02504	0.4
161.04593	0.3
161.05923	0.1
163.04021	1.5
167.03534	0.1
175.04022	0.7
177.01904	0.1
178.06381	1.9
178.99861	0.6
179.06909	0.1
180.00276	0.3
193.05125	0.3
193.08716	4.0
194.09027	0.4
231.49408	0.1
235.06076	0.2
237.56067	0.1
239.48848	0.1
253.09344	0.2
255.03149	0.1
265.07285	0.1
284.03052	0.1
285.03549	0.1
327.21918	0.3
341.05225	0.1
342.05511	0.2
343.06165	0.1
359.28101	0.3
367.10489	0.1
382.10196	0.2
397.11157	0.4
400.11490	0.1
464.09512	0.1
465.10040	0.1
499.17966	0.5
500.18646	0.1
503.32230	2.8
521.33270	0.9
562.17181	0.7
562.25006	0.2
562.32220	0.4
563.17065	0.2
563.25189	0.6
563.33923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02876	0.2
59.01392	1.5
59.15211	0.2
61.98832	100.0
62.47114	0.2
62.98543	0.2
67.90788	0.2
71.71666	0.3
75.00863	0.3
89.26304	0.2
102.27901	0.2
113.01665	0.2
118.95127	0.2
125.09764	0.3
150.01776	0.2
158.44734	0.2
166.83615	0.2
184.36150	0.2
279.66150	0.2
301.70551	0.2
499.30637	0.5
500.30429	0.5
502.32413	0.5
503.33582	1.3
509.10699	0.2
562.29211	0.4
563.32153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19534	0.3
59.01373	1.0
61.98835	100.0
71.70848	0.4
72.99329	0.4
75.00886	0.3
84.39160	0.3
96.94622	0.3
170.30583	0.3
487.31110	0.7
499.30765	0.5
500.30743	0.7
502.32565	0.6
562.30743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98835	100.0
62.98534	0.2
70.57524	0.5
89.35437	0.1
113.79809	0.1
199.13452	0.2
326.36295	0.2
388.45264	0.1
415.02875	0.2
499.30692	1.5
500.31256	0.3
518.44849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98833	100.0
62.98540	0.3
66.47530	0.2
70.86761	0.4
70.87152	0.4
75.00895	1.2
158.39020	0.2
191.21165	0.2
202.31845	0.2
230.33078	0.2
263.00568	0.2
277.28693	0.2
384.25595	0.2
478.87851	0.2
486.33295	0.4
499.31046	0.7
562.32202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49009	0.7
59.01390	1.5
60.01693	0.6
61.63754	0.7
61.98835	14.5
71.71986	1.0
72.99307	2.7
75.00879	100.0
76.01202	1.0
80.85995	0.8
91.56247	0.7
92.67445	0.6
116.07318	0.8
174.13203	0.6
225.14127	0.7
404.59070	0.7
423.32867	5.4
424.33328	1.1
485.32745	62.5
486.33060	12.6
578.63110	0.7
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
55.36864	0.9
59.01385	16.8
61.98833	100.0
67.26366	1.1
71.71045	1.0
75.00871	3.6
85.47581	0.9
87.00954	1.1
88.98800	1.0
106.44424	1.0
140.43958	1.0
156.21864	1.0
439.32034	2.0
485.32608	4.3
499.30899	2.6
501.32162	18.4
502.32727	4.9
561.29541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34958	0.7
57.03429	1.1
59.01380	85.0
59.43404	0.7
60.89859	0.7
64.40547	0.8
71.01388	8.0
71.05025	3.7
71.70174	1.3
72.99313	2.3
85.02969	1.4
86.20494	0.8
87.00887	6.0
87.04527	1.2
88.07867	0.7
89.02463	3.2
99.00893	2.7
101.02497	0.9
103.00373	6.5
111.00893	0.9
115.00360	3.5
115.04031	7.5
117.02011	0.8
130.99872	2.0
133.05089	100.0
134.05440	3.3
142.99936	2.5
157.01471	1.0
175.02647	5.2
175.06136	50.7
176.06494	2.5
219.01508	2.2
219.05122	5.4
220.08350	0.9
341.10925	1.7
521.06805	0.8
543.27234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	85.9
60.01696	0.9
71.01087	0.7
71.01399	6.7
71.05029	4.0
71.71099	0.8
72.99305	1.9
77.67281	0.7
85.02950	1.1
87.00903	5.6
87.04519	1.3
88.04055	2.9
89.02462	2.0
99.00919	0.8
103.00386	7.5
111.00882	1.1
113.02479	0.9
115.00402	1.6
115.04028	6.4
133.05092	100.0
134.05406	3.2
136.75905	0.7
142.99934	0.8
146.08224	1.1
161.02444	1.0
175.02577	1.3
175.06133	50.0
176.06563	2.4
218.10321	4.2
219.05107	4.6
219.10802	1.0
339.26871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
57.03459	0.6
59.01085	0.2
59.01382	4.9
60.01717	0.1
61.98835	100.0
62.98561	0.2
63.02410	0.3
65.00335	0.3
71.01390	1.9
71.04353	0.4
71.49477	0.1
72.99323	0.2
73.02956	0.4
74.02468	0.2
75.00873	0.3
83.01409	0.7
85.02524	0.2
85.02955	0.9
87.00907	0.2
87.74322	0.1
89.02448	1.4
93.03439	0.1
95.01391	0.3
97.02934	0.1
99.00907	0.2
101.02473	1.2
107.01424	0.9
109.02989	0.1
111.00908	0.3
113.02475	0.7
115.00428	0.3
115.04037	0.1
119.03552	0.3
119.05065	0.4
123.00974	0.1
123.04562	0.2
124.01697	0.2
125.02487	1.7
132.02214	0.4
133.02985	0.1
134.03798	1.1
135.04556	0.4
137.02481	0.2
143.03589	0.2
145.03027	0.2
147.04570	0.3
147.11639	0.1
148.05318	0.1
149.02489	0.3
149.06107	0.3
151.00391	5.4
152.01210	0.5
153.01967	1.8
160.01675	1.7
161.02484	0.6
161.04582	0.3
163.04100	0.4
165.05624	0.2
167.03502	0.2
169.01500	0.5
171.10368	0.2
175.00392	0.1
175.02588	0.2
175.03973	1.4
176.04823	0.4
177.02025	0.2
178.02872	0.2
178.99883	7.5
179.05670	0.4
190.02776	0.3
191.07205	0.6
193.05077	1.7
205.05176	0.2
207.06787	0.2
217.05244	0.2
223.06053	0.2
235.06120	1.5
255.02898	0.2
265.07190	0.6
270.01682	0.1
274.04807	0.2
277.21619	0.2
278.21948	0.1
283.02533	0.2
284.03391	0.5
293.25009	0.3
294.25198	0.3
295.08279	1.0
302.04404	0.4
313.05786	0.2
325.20291	0.2
329.03464	0.2
337.23788	0.9
338.24350	1.0
341.05130	3.8
342.05872	1.0
355.10544	0.3
367.10654	0.3
371.11285	0.2
381.04941	0.2
381.09595	0.7
385.11569	0.3
399.10913	0.8
446.08743	0.1
464.09564	2.4
497.20889	0.2
500.29681	0.2
501.30646	1.1
560.15161	0.3
560.31519	0.2
561.16107	2.0
561.30475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03466	1.8
58.00607	2.3
59.01386	70.9
61.98512	1.9
61.98839	37.4
69.03490	1.0
69.37150	1.4
69.37552	10.1
71.01394	27.5
71.05021	1.1
72.99332	2.8
73.02959	4.8
73.26785	0.9
75.00884	2.3
83.01407	2.9
83.05054	1.1
85.02972	7.7
87.00904	2.7
89.02457	14.6
95.01413	2.2
97.02967	1.7
99.00910	6.4
101.02461	15.2
113.02464	9.0
119.03519	5.8
119.05038	1.7
124.50851	0.9
125.02459	2.6
134.03775	1.4
142.06613	1.7
144.40547	1.0
145.02962	2.2
161.04736	1.1
163.04059	1.0
163.11331	3.7
181.12370	7.3
193.05049	1.1
199.13464	2.4
203.07372	1.1
207.10274	4.8
209.11867	12.6
225.11320	12.2
227.12975	1.7
243.12279	4.9
287.05704	3.3
293.21216	6.6
294.21613	1.5
311.22330	1.8
317.16089	4.6
448.94952	1.1
455.26566	22.9
455.32474	1.8
456.26654	2.4
464.69141	0.9
473.27591	45.0
474.27972	7.4
487.34335	2.0
509.27344	1.4
515.28644	100.0
516.28973	17.5
527.28741	18.1
528.29053	3.1
558.76019	1.6
559.26862	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	555.2853
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.38419	0.2
56.40906	0.2
57.03442	0.4
58.81013	0.2
59.01371	0.9
61.98833	0.6
63.96233	0.9
69.03460	0.7
71.01388	7.6
71.49015	0.3
71.64896	0.2
72.01722	0.3
73.02959	2.0
73.12206	0.3
78.98603	6.3
79.95745	10.0
80.23858	0.2
80.96525	69.6
81.03464	0.8
81.96455	0.4
82.15338	0.2
83.01402	0.4
85.02956	2.6
87.00880	2.7
94.98102	16.6
95.01419	0.4
96.96017	1.0
97.02976	1.8
99.00866	0.6
101.02435	2.3
106.98112	3.7
111.98694	0.2
113.02438	0.5
122.97612	3.5
125.02482	3.0
127.04015	0.7
134.97601	4.7
136.99181	1.8
146.97684	0.4
148.97977	0.4
148.99171	6.3
149.99553	0.3
152.32346	0.2
152.98674	5.9
164.98662	12.3
165.98952	0.3
167.00215	0.5
176.98653	0.2
188.98627	0.4
206.99690	2.8
225.00754	16.9
226.01100	0.7
239.17955	0.3
240.96005	0.2
255.23331	2.5
299.04395	3.1
300.04654	0.4
347.82272	0.3
555.28503	100.0
556.28827	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	556.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15816	0.2
59.01384	1.1
71.01388	0.7
71.70827	0.4
85.02956	0.3
86.99310	0.3
89.02453	1.0
101.02472	0.6
102.62399	0.3
113.02495	0.5
114.05617	0.7
119.03520	0.3
119.05071	0.3
126.05602	0.3
128.07198	100.0
129.07550	3.1
147.06656	0.3
161.02440	0.3
170.08247	77.0
171.08583	4.1
179.05571	0.6
185.57054	0.3
191.62300	0.3
214.07268	0.9
215.05664	0.3
215.10390	0.5
219.26836	0.3
295.85147	0.3
341.10995	2.7
428.37973	0.3
519.45398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
59.73824	0.2
61.98827	0.9
65.00330	1.8
68.99815	0.2
69.83083	0.6
69.83492	1.0
71.01389	0.9
72.99313	0.5
81.43811	0.2
83.01433	0.4
85.02957	0.8
87.00874	0.3
89.02463	0.7
91.01905	10.5
92.02251	0.4
95.01406	0.8
96.96009	2.4
99.00912	0.2
101.02460	0.6
102.98775	0.2
108.02176	4.4
109.02976	0.6
111.00897	1.7
113.02484	0.6
119.03505	0.3
121.02966	0.4
123.00937	0.8
123.04542	34.1
124.01708	1.1
124.04870	1.2
125.02509	0.5
133.02965	0.3
135.04543	0.3
135.89407	0.2
139.00404	0.4
149.06139	0.3
150.03278	0.3
152.01175	3.1
153.01990	0.4
159.10323	0.4
161.02443	0.9
165.05565	0.6
166.02716	0.3
167.03516	100.0
168.03857	4.4
179.05585	0.4
215.03360	0.2
235.61124	0.2
338.06879	0.2
397.08105	0.2
397.13492	0.3
557.19293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98835	100.0
62.98535	0.2
73.92943	0.1
78.95930	0.4
87.00912	0.2
95.08065	0.1
96.61759	0.1
96.70377	0.1
98.20667	0.2
119.96627	0.1
144.14642	0.1
152.99646	0.3
171.88542	0.1
232.87971	0.1
237.94287	0.1
255.23294	1.3
256.23709	0.4
287.22443	0.3
393.82736	0.1
409.23676	0.2
480.31003	1.1
481.31573	0.3
482.31674	0.1
483.32025	0.2
492.24780	0.1
498.77258	0.1
522.66400	0.1
557.31842	0.5
557.44482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2788
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
50.57229	0.2
53.43966	0.2
55.83731	0.2
56.98918	0.2
61.98834	2.2
69.73711	1.6
88.93165	0.2
95.46582	0.2
99.92597	26.0
100.92612	1.9
100.93373	3.0
115.92095	58.2
116.92101	3.3
116.92886	2.7
132.92361	0.7
260.24536	0.2
380.84677	0.2
393.34396	0.2
455.35358	1.1
537.26672	1.0
540.25317	0.7
555.27905	100.0
556.28174	24.4
569.25763	4.1
570.26154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03437	3.2
58.00598	5.4
59.01383	100.0
61.98837	9.3
71.01390	72.6
71.71327	1.6
72.99337	5.5
73.02950	3.2
75.00872	1.1
83.01405	3.1
83.03983	1.1
85.02969	14.6
87.00922	5.3
88.98821	2.4
89.02458	99.6
90.02773	1.2
93.03474	1.1
95.00848	1.1
95.01375	5.7
96.96026	5.3
99.00897	1.9
101.02464	31.9
102.02795	1.2
108.02145	1.9
109.02968	1.2
111.00909	1.3
113.02474	26.0
119.03526	34.1
121.02989	3.3
123.00851	1.1
123.04526	2.7
125.02448	3.1
129.05609	1.4
131.03499	4.6
131.04408	1.4
133.03001	2.0
133.05078	3.4
134.03786	13.8
135.04523	3.5
136.01682	19.6
137.02440	3.0
139.04041	1.5
143.03543	7.0
145.03004	2.2
147.84265	1.0
149.02461	9.0
149.04559	2.2
149.06090	15.5
150.03304	6.5
151.04037	25.9
152.04582	1.9
161.02492	6.7
161.04584	10.1
162.03200	1.3
163.04065	2.6
164.04800	3.4
165.05577	10.4
167.03531	2.2
167.07240	1.8
177.05557	2.3
179.03435	2.2
179.05637	29.4
180.04381	1.3
180.05840	1.1
182.02203	1.3
195.06648	4.2
196.03854	1.3
197.04568	2.4
197.08154	2.6
241.05060	8.7
242.05696	1.1
256.07404	7.0
271.09738	12.5
272.10037	1.3
277.09396	8.8
285.07651	2.0
301.10800	3.3
319.11890	2.1
345.13446	8.6
349.11212	1.2
375.14554	14.6
393.14911	1.5
507.18576	5.1
519.15863	1.6
555.21252	11.4
556.21021	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	554.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
60.17412	0.1
61.98833	100.0
62.98531	0.2
85.03001	0.1
113.83209	0.1
144.41904	0.1
192.22574	0.1
195.52185	0.1
215.43416	0.1
271.89063	0.1
306.24350	0.1
383.08496	0.1
518.32483	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	555.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59556	1.2
55.01875	1.4
57.03450	1.5
58.00597	5.6
59.01384	96.6
61.98835	5.7
66.76997	1.2
68.78147	1.2
69.75950	10.2
71.01388	69.0
72.01720	1.3
72.99309	6.9
73.02963	3.6
74.85397	1.4
75.00883	2.1
79.38411	1.2
83.01394	2.3
85.02967	12.6
87.00902	5.1
89.02459	100.0
90.02803	2.4
95.01405	3.8
96.96030	4.2
101.02460	31.9
108.02097	1.4
113.02473	26.5
114.10954	1.4
119.03532	32.1
121.03006	2.6
122.03777	2.0
123.04536	2.2
131.03560	3.5
133.05093	2.7
134.03746	13.5
135.04544	2.3
136.01685	15.1
137.02477	2.9
143.03519	6.0
145.02815	1.8
147.04462	1.9
149.02507	6.9
149.04550	2.8
149.06108	14.7
150.03279	7.0
151.04044	20.5
161.02475	4.7
161.04584	8.1
162.03152	1.7
163.03989	1.5
164.04831	3.2
165.05611	8.4
167.07198	1.3
179.03477	2.5
179.05653	29.5
195.06593	3.8
197.08229	2.2
214.67854	1.3
241.05042	6.2
255.06606	2.2
256.07468	4.9
271.09842	10.0
277.09341	5.0
285.07565	2.6
300.09991	2.3
301.10767	2.8
345.13516	8.7
352.53378	1.3
375.14542	15.5
376.14667	1.6
407.13635	1.8
507.18896	6.9
537.16705	2.1
555.21362	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	554.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49442	0.6
57.14078	0.6
59.01385	0.7
61.45864	0.6
61.98837	100.0
63.96245	0.8
71.01393	4.6
71.71262	1.2
73.02953	0.9
78.95918	6.2
78.98604	4.2
79.95752	4.3
80.96529	35.2
84.00922	6.6
85.02969	1.8
87.00889	2.2
87.91133	0.6
94.98108	9.3
96.96008	1.0
96.96978	1.0
97.02985	0.9
101.02454	0.6
106.98124	2.0
122.97599	1.2
123.65288	0.6
125.02435	1.3
127.04021	0.7
134.97588	3.5
136.99109	0.8
139.66129	0.7
148.51175	0.6
148.99173	2.4
152.98631	3.0
155.30627	0.6
164.98677	6.9
206.99753	2.2
225.00778	11.2
240.77002	0.6
241.45924	0.9
255.23340	1.8
299.04480	2.2
374.25433	1.4
435.03232	0.6
469.33292	20.2
470.33542	5.7
554.31158	86.7
555.28467	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76481	0.4
53.44752	0.3
54.81463	0.4
59.01380	0.7
61.98832	100.0
64.08382	0.4
71.72089	0.4
78.95924	1.1
80.96524	0.7
81.02666	0.4
84.00920	5.1
93.98891	0.4
94.98113	0.5
110.29834	0.4
131.02423	0.5
255.23308	2.0
299.23273	0.5
404.19577	0.4
469.33209	23.8
470.33554	6.2
480.30838	1.3
481.15356	2.2
495.16556	1.4
496.16943	0.7
516.34296	2.1
517.34296	0.5
535.64496	0.4
540.16620	0.6
554.31061	85.3
555.18829	1.7
555.31433	21.3
572.15845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46722	0.2
54.57138	0.2
57.74543	0.2
59.01381	22.7
60.01698	0.3
61.98834	23.0
73.15342	0.2
78.72341	0.2
78.95914	18.7
80.96505	0.2
84.00941	1.2
91.17692	0.2
96.96954	0.2
99.92574	0.2
122.98518	0.3
124.97515	0.2
145.39723	0.2
152.99622	3.1
166.06456	0.2
168.04367	2.8
224.06943	8.1
225.07298	0.2
237.22307	0.2
242.07954	1.6
255.23296	100.0
256.23645	10.2
260.56064	0.2
391.22717	0.3
461.23593	0.2
469.33182	4.9
470.33658	1.2
480.30954	68.1
481.31287	11.6
495.27090	0.3
554.31085	18.4
555.31409	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	553.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65747	0.1
55.03130	0.1
59.01384	0.3
62.26150	0.1
63.80013	0.1
63.97647	0.1
65.39317	0.1
65.43395	0.1
70.15043	0.8
71.01386	0.3
72.88581	0.1
72.99314	8.6
73.02978	0.1
77.29545	0.1
91.05521	0.3
98.19881	0.2
101.03973	0.3
117.03466	0.2
119.05045	10.3
120.05376	0.4
121.02983	0.2
123.58614	0.1
132.09389	0.1
133.02942	0.1
134.03725	0.2
135.04524	0.2
147.04543	44.6
148.04890	2.1
149.06073	0.3
150.03235	0.3
161.02467	0.4
165.05588	100.0
166.05927	5.4
166.07008	0.1
193.05054	0.3
196.06946	0.2
271.08200	0.2
293.57040	0.2
343.11722	0.2
520.19727	0.1
550.27979	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.3
60.99303	3.9
61.98829	14.6
63.46891	0.8
69.64423	7.0
71.01382	1.1
71.73888	0.8
77.99668	0.8
79.73966	0.9
85.48775	0.9
90.67260	0.8
96.96968	1.1
121.76957	0.9
170.33035	0.8
278.76971	0.8
349.25327	2.9
367.26440	13.5
368.26880	3.2
421.84946	1.0
423.28754	1.1
441.30511	0.9
455.31714	3.9
471.34879	3.2
517.31683	100.0
518.32098	17.4
553.22125	1.4
553.29230	2.1
553.36548	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	554.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64106	0.4
59.01376	1.2
59.37615	0.3
61.98837	4.5
63.20264	0.3
71.70956	0.5
78.95913	5.3
78.99914	0.4
125.09744	1.4
152.99577	1.0
168.04329	2.1
187.09787	0.7
224.06915	1.1
242.07951	2.5
261.13403	0.6
261.22293	0.6
279.23300	100.0
280.23666	11.2
311.22278	0.5
491.34445	0.5
504.30951	41.1
505.31281	8.3
555.35529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.3
60.99311	13.2
61.98822	1.5
62.34703	0.6
62.65816	0.6
63.10751	0.6
65.00305	1.0
66.41642	0.5
67.16211	0.8
69.75495	3.2
69.75918	1.5
69.91606	0.6
71.01402	4.0
73.02939	1.2
77.35483	0.6
77.44024	0.6
83.01391	0.9
84.57546	0.6
85.02953	2.5
85.60911	0.6
87.00895	0.9
88.98817	74.3
89.02444	2.5
89.99156	0.8
95.01401	0.6
101.02462	4.0
103.00386	0.9
107.01379	2.5
108.02199	0.8
109.02955	1.2
111.00893	0.7
113.02470	2.1
113.06133	0.7
121.02980	1.8
123.04489	0.7
125.02492	1.0
129.05550	1.0
133.02922	1.0
142.06625	1.1
145.02986	0.7
147.04578	0.9
149.02443	0.9
150.03270	0.9
151.00377	9.3
161.02487	3.1
162.02917	0.7
163.00383	1.2
165.05568	2.3
169.01421	1.1
175.04001	1.2
175.09807	5.8
176.10083	1.6
178.99887	5.1
179.07211	0.8
204.06735	1.1
217.10698	1.1
222.48218	0.7
226.02777	1.2
227.03494	1.8
243.02982	5.9
245.04585	1.1
249.98395	0.8
254.02246	1.4
255.02959	15.2
256.03452	1.7
271.02472	32.7
272.02829	4.0
273.03891	0.8
300.02765	74.5
301.03467	36.4
302.04019	3.0
391.23230	1.0
420.33307	0.7
463.08820	100.0
464.09161	14.9
493.23135	2.0
553.18671	2.1
553.28735	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	553.2259
Annotation	Citrumarin A
Peak:m/z	Relative Intensity
51.22255	0.3
61.98833	6.1
71.05190	0.5
71.05537	0.6
78.95943	0.4
80.96522	0.5
96.96964	0.6
99.00883	0.3
99.92600	55.5
100.92605	3.5
100.93364	1.8
101.66760	0.3
115.92096	38.8
116.92097	1.8
116.92876	5.6
132.92438	0.5
212.05252	0.3
215.10803	0.3
230.81154	0.2
357.25696	0.6
409.31046	0.7
453.29828	2.5
490.21494	0.4
491.22363	0.8
503.19043	0.4
505.20456	0.8
508.23233	1.7
509.23090	0.7
515.33911	0.8
517.34155	0.3
520.19025	0.4
523.21747	1.9
524.21741	0.5
535.21490	1.5
538.20264	2.2
539.20404	0.5
553.22565	100.0
554.22955	24.4
567.20795	2.4
568.21014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98833	5.4
71.01399	0.3
72.82977	0.3
78.95913	7.6
81.79925	0.3
88.59801	0.3
88.87885	0.3
90.54025	0.2
96.96941	0.3
98.64006	0.3
120.99473	0.3
123.10808	0.3
146.10109	0.3
149.17433	0.3
152.99582	1.4
166.06660	0.3
168.04326	1.5
224.06898	1.2
233.22787	0.6
242.08028	3.0
259.20731	0.6
275.20041	0.5
277.21722	100.0
278.22058	10.7
502.29385	43.9
503.29706	7.0
515.33960	0.5
516.34021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01381	1.0
67.01891	1.9
71.01408	0.7
71.37239	0.8
73.93361	0.4
85.02971	2.4
87.00901	1.1
94.49557	0.4
99.00908	0.5
102.94417	0.6
108.75911	0.3
111.00904	84.4
112.01228	3.1
129.01958	1.6
130.02315	0.4
135.09509	0.4
136.98819	2.1
148.96513	0.5
149.06059	0.4
166.97546	57.4
167.97879	1.5
184.97664	0.4
185.23003	0.4
186.18692	0.4
192.95462	4.9
209.06694	5.7
210.07086	1.8
210.96521	100.0
211.07117	1.5
211.96840	3.4
217.59778	0.4
228.96692	0.6
244.51053	0.4
270.97739	1.1
341.11014	0.9
359.42609	0.3
373.06265	0.4
464.73837	0.4
543.52332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22934	0.9
55.01878	1.5
57.03442	3.5
58.00595	1.6
58.02972	1.6
59.01382	60.9
61.98831	43.8
71.01385	26.1
72.99320	2.8
73.02953	9.6
74.02446	1.4
75.00886	2.2
81.03442	1.8
83.01385	6.6
83.05048	1.3
85.02441	1.5
85.02956	23.1
87.00883	4.1
88.98815	1.4
89.02454	7.3
93.03477	2.9
95.01427	2.8
99.00884	4.3
99.04509	1.6
101.02454	24.7
111.00895	18.2
112.01183	1.5
113.02447	9.1
116.05107	1.1
119.03488	1.9
119.05040	4.4
121.02956	3.4
123.04585	2.5
124.02729	1.3
125.02452	4.1
127.05155	2.1
129.01936	3.4
129.10339	3.4
130.36172	1.0
133.03004	8.6
133.35281	1.1
134.03372	2.0
135.04530	4.3
137.02492	2.8
145.02965	2.4
146.06075	1.4
147.04533	2.2
149.02489	1.4
150.03238	2.9
155.08209	2.0
161.02455	25.2
161.04581	2.6
162.02785	10.4
163.02924	4.1
163.04118	1.4
165.05574	4.5
167.03542	7.3
175.03973	1.1
179.03481	2.7
180.06648	5.8
193.05066	3.6
195.06650	3.3
198.12514	1.2
204.06711	3.6
229.79732	1.2
231.06509	1.0
235.06178	1.6
257.63123	1.0
266.11734	2.3
271.02411	1.8
273.07678	4.9
283.13342	2.3
285.20624	9.9
286.21259	1.6
289.07190	3.1
300.02823	3.7
301.14246	1.3
303.21866	2.7
308.12540	1.3
345.13464	1.7
345.17279	1.9
353.30115	1.2
371.15152	2.1
419.26593	2.2
429.24908	1.4
447.25992	52.2
448.26285	9.6
465.27017	39.0
466.27350	5.9
489.10605	5.4
489.27277	1.4
491.19043	1.4
507.28098	100.0
508.28445	20.7
509.24530	1.2
535.21893	4.0
551.24377	41.9
551.32904	2.4
552.25024	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	551.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22723	0.6
55.01869	2.4
57.03448	2.0
58.00578	1.0
59.01381	47.5
60.01703	0.9
60.41199	0.6
61.98835	20.4
67.01864	0.7
68.99787	0.6
69.50681	6.0
71.01388	14.0
72.99319	1.7
73.02946	6.6
75.00901	1.0
83.01390	4.8
85.02961	10.9
86.00110	1.4
87.00883	1.6
89.02451	3.0
93.03448	0.7
95.01385	1.4
97.02959	0.6
99.00902	3.2
101.02457	17.2
111.00887	6.6
113.02464	6.3
117.03520	0.8
119.03494	0.8
119.05019	1.7
121.02985	0.7
125.02438	1.3
129.02057	0.7
133.02988	2.4
135.04527	2.0
143.10735	0.8
145.02960	2.0
150.03230	1.1
157.12346	0.8
159.03047	0.8
161.02458	11.1
161.04475	1.5
162.02789	1.6
163.04106	0.9
165.05656	1.4
167.03540	0.8
179.03484	1.0
187.07608	1.3
191.07106	0.8
193.05013	1.4
204.06668	1.1
205.05081	0.8
205.07007	0.8
223.90855	0.7
235.06128	0.9
257.21118	1.3
273.07596	1.5
303.21683	2.3
316.39267	0.7
350.08566	0.6
377.10352	0.6
419.26346	1.5
447.20105	1.1
447.26010	16.8
448.26163	3.3
465.27045	43.7
466.27280	6.1
491.27969	0.9
502.46008	0.6
507.28085	100.0
508.28387	18.1
520.16840	0.8
551.24994	10.0
552.24695	1.9
557.95978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2497
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
55.01872	0.3
57.03448	0.6
59.01383	9.2
60.43998	0.3
61.98828	1.7
67.85755	0.2
71.01391	4.5
71.71262	0.3
72.99308	0.3
73.02951	1.5
74.61184	0.2
75.00875	0.2
83.01408	1.6
85.02961	3.4
86.00143	0.3
87.00902	0.5
88.98801	0.5
89.02464	0.8
89.03970	0.2
95.01418	0.7
98.46258	0.2
99.00906	0.5
101.02464	3.7
101.03090	0.3
103.57352	0.2
105.03503	0.5
110.94495	0.2
111.00913	1.1
113.02470	1.3
116.73827	0.2
117.03489	1.0
123.04590	0.2
125.02455	0.4
132.02200	1.4
133.02980	30.4
134.03375	1.8
135.04552	7.4
136.04863	0.6
137.02454	0.4
155.10809	0.3
161.02470	100.0
162.02817	7.2
163.02870	0.5
163.04099	0.6
177.05667	0.4
178.02849	0.2
179.03520	4.0
180.03879	0.3
303.21725	0.4
306.52182	0.3
447.25900	2.6
448.26212	0.3
465.27029	7.8
466.27399	1.3
507.28119	17.9
508.28241	3.2
551.24927	74.8
552.25250	15.0
552.33972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2497
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
52.15564	0.1
52.61337	0.1
52.66758	0.1
55.01883	0.3
57.03447	0.2
58.00589	0.1
59.01383	1.3
61.98832	0.3
69.91077	0.4
69.91499	0.2
71.01386	1.9
72.99323	0.1
73.02950	0.7
74.30568	0.1
77.03984	0.2
83.01402	0.4
85.02969	0.9
89.02471	0.3
89.03988	0.1
95.01409	0.2
97.43282	0.1
99.00876	0.1
101.02462	1.1
104.02700	0.1
105.03490	0.3
107.05027	0.2
108.93547	0.1
109.03016	0.1
111.00864	0.1
113.02475	0.8
115.01939	0.3
117.03477	1.0
121.02973	0.2
123.04551	0.3
129.65923	0.1
132.02194	1.7
133.02979	29.2
134.03416	1.2
135.04550	7.0
136.04875	0.4
137.02458	0.5
140.84543	0.1
145.52968	0.1
155.10812	0.3
158.20854	0.1
160.01703	0.2
161.02466	100.0
162.02800	5.4
163.04044	0.3
165.75664	0.1
179.03522	3.6
180.03859	0.3
227.16382	0.1
265.93619	0.1
551.24908	67.7
552.25256	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	551.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78584	1.4
56.16079	1.1
59.01389	7.9
61.98833	1.5
66.36670	1.1
69.92612	3.1
69.93025	3.8
71.01402	5.4
73.02959	2.0
83.01363	1.4
85.02962	2.5
89.02453	2.9
93.03473	3.4
95.01397	1.1
101.02461	9.1
105.03468	1.3
111.00900	4.4
113.02427	4.0
119.05064	1.7
121.02982	8.0
122.03791	9.2
125.02484	1.6
132.02190	1.7
133.02985	8.6
134.03763	41.1
135.04276	1.2
136.01649	2.5
137.02467	5.2
139.04008	1.4
147.04541	11.9
148.05370	5.6
149.02460	20.0
149.06105	15.0
150.03247	88.1
151.03886	4.9
160.01672	17.4
161.02399	2.2
162.03171	1.3
163.07654	1.2
164.04868	6.4
165.05591	100.0
166.05914	5.8
174.03236	1.1
175.04031	24.7
176.04802	26.2
177.01978	5.5
177.05254	2.1
178.02734	23.3
179.03123	1.6
180.04295	6.7
189.05515	1.5
191.07164	27.1
192.07558	2.0
193.05078	98.9
194.05310	5.6
195.06635	69.2
196.06909	4.4
217.05013	2.6
220.03728	5.3
221.08208	1.7
235.06111	65.3
236.06462	4.3
239.07182	1.3
247.06126	2.8
250.06320	1.7
265.07092	13.8
282.08975	4.9
295.08170	14.6
296.08502	2.1
297.11209	1.6
311.09106	1.6
313.11963	2.7
327.12558	1.3
339.09540	1.6
341.10330	27.1
342.10611	3.7
355.11868	1.4
357.10873	5.4
383.11462	14.2
384.11630	2.0
389.12466	46.4
390.12653	6.8
405.87311	1.3
431.13580	33.0
432.13806	3.5
491.15384	5.9
551.17487	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	551.1772
Annotation	Alboside I
Peak:m/z	Relative Intensity
58.00599	1.2
58.74137	0.8
59.01382	28.1
61.54119	0.9
61.98838	4.5
69.44173	8.1
71.01393	9.2
72.99320	1.0
73.02941	1.8
74.21487	0.8
74.80312	0.9
83.01400	1.5
85.02960	3.7
87.00899	2.3
87.58929	0.7
88.98836	1.1
89.02454	4.4
89.03986	1.9
95.01396	1.1
97.27863	0.9
98.20681	1.8
99.00863	1.3
100.63924	0.9
101.02442	5.5
103.00372	2.8
108.02172	2.8
113.02505	4.2
113.06108	2.8
117.03487	11.7
119.03482	1.3
119.05024	4.9
121.02957	2.6
122.03783	0.8
123.04507	2.6
125.02449	1.0
129.05602	1.5
131.07222	0.9
132.02206	20.1
133.03003	13.7
134.03760	67.9
135.04604	9.2
136.01691	1.5
137.02457	3.5
139.04025	0.9
142.06647	6.0
143.03510	0.9
145.02980	42.6
146.03801	7.6
147.04549	17.8
148.05333	4.3
149.02443	4.3
149.06102	14.7
150.03230	2.0
151.04066	1.6
158.03796	1.7
158.06059	0.9
159.31210	1.1
160.01682	97.1
161.02470	55.0
162.03253	45.4
162.06801	1.0
163.04031	8.6
164.04767	2.0
165.01973	1.3
165.05571	3.1
173.06085	3.3
174.03214	1.5
175.04024	100.0
175.09779	29.7
176.04784	20.2
177.01945	3.5
177.05595	22.9
178.02748	7.7
179.03462	2.6
180.04320	4.0
183.30150	0.9
186.05602	2.3
189.01912	1.1
190.02682	1.6
191.07172	29.9
192.04283	2.3
192.07455	1.2
193.05077	81.7
194.05432	5.4
195.06645	5.7
202.02655	1.0
204.06641	6.0
205.05074	1.7
205.06853	1.1
206.05937	1.1
207.06635	8.9
217.05003	2.2
217.10828	7.4
220.03761	3.1
221.04585	1.8
227.49806	0.9
235.06120	86.8
236.06485	6.6
246.07700	2.2
247.05983	1.1
249.14700	0.9
264.12662	0.8
265.07150	32.3
266.07443	2.5
270.51855	0.8
295.08240	44.9
296.08527	3.3
325.09399	1.4
337.09207	2.0
347.14972	3.0
355.10379	12.1
356.10715	1.5
507.10257	1.7
533.16620	60.6
534.17029	10.2
551.17633	27.0
552.18152	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	550.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50752	0.1
55.83852	0.1
59.01370	0.6
61.98833	100.0
62.98528	0.3
70.72881	0.4
70.73228	0.2
75.72485	0.1
90.91813	0.1
157.72336	0.1
167.04164	0.1
169.75432	0.1
366.24030	0.1
408.87146	0.1
487.30920	0.6
515.34161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12648	0.2
59.01376	2.3
61.59973	0.2
61.98832	100.0
66.80056	0.2
70.49102	0.2
71.01392	0.4
71.18745	0.5
71.19120	0.5
76.21511	0.2
83.05038	0.3
88.98831	0.3
96.96042	0.2
102.88965	0.2
144.86780	0.2
145.02994	0.3
165.60451	0.2
180.71620	0.2
194.78951	0.3
197.61418	0.2
404.05307	0.3
471.31741	0.3
515.30127	0.6
529.27478	0.3
551.29974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84003	0.7
54.77880	0.7
59.01388	7.6
69.91980	1.2
69.92397	3.6
71.01389	6.5
72.99317	6.3
73.02940	1.9
73.06527	0.7
75.91686	0.7
83.01400	1.3
85.02951	2.6
89.02459	3.5
92.19391	0.7
93.03518	1.1
98.19962	1.2
101.02441	5.3
104.81656	0.7
109.02933	0.8
111.00922	1.3
113.02477	3.3
117.03471	0.9
119.05051	7.1
121.02955	2.4
122.03754	4.9
123.04536	1.4
124.01622	0.9
125.02515	1.0
126.79788	0.7
132.02182	2.6
133.02968	4.0
134.03760	21.2
135.04495	2.5
136.01645	1.0
137.02452	3.0
139.04103	0.9
147.03323	1.3
147.04539	30.7
148.05301	2.2
149.02473	8.0
149.06110	8.0
150.03247	41.0
151.04051	4.3
160.01668	9.4
161.02429	1.8
161.04602	0.8
163.04007	1.6
164.04788	1.4
165.05588	100.0
166.05901	4.9
166.72845	0.7
175.04037	13.1
176.04822	11.6
177.01950	2.7
178.02751	10.9
179.03423	1.6
180.04298	4.2
181.05064	2.2
191.07181	12.0
192.04300	2.0
192.07475	1.7
193.05083	55.7
194.05417	3.6
195.06650	34.4
196.06995	2.2
207.06686	0.9
217.04994	1.6
220.03757	1.8
221.08061	0.9
223.08046	1.0
235.06122	31.1
236.06494	3.0
247.06137	1.4
265.07239	9.5
282.08997	1.5
293.84857	0.8
295.08279	8.4
299.09305	2.2
311.09116	1.3
327.12326	1.2
341.10339	4.8
354.96420	0.8
359.11618	1.0
374.14114	0.9
383.11227	1.4
389.12256	21.5
390.12802	1.9
431.13589	9.9
490.56354	0.9
521.20160	2.2
533.20111	3.5
551.21350	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	551.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87288	1.4
59.01373	7.4
61.98824	3.2
71.01403	7.0
71.21243	2.8
75.00859	1.3
83.01391	1.3
85.02966	2.7
87.00894	4.7
89.02460	2.9
93.03469	3.8
101.02473	7.6
111.00884	4.1
113.02464	4.2
119.05072	1.7
121.02971	13.2
122.03770	8.6
123.04576	1.5
132.02206	2.3
133.02954	9.2
134.03764	42.6
135.04607	3.2
136.01688	3.0
137.02451	6.0
147.04564	11.2
148.05270	4.2
148.83267	1.3
149.02444	17.1
149.06128	12.0
150.03253	79.6
151.03804	4.7
160.01683	17.4
161.02429	2.6
164.04761	6.6
165.01961	3.2
165.05592	100.0
165.70982	1.6
166.05908	4.5
175.04018	23.3
176.04802	25.5
177.01923	5.2
178.02748	21.1
180.04291	8.0
191.07143	30.8
192.04272	2.6
192.07501	2.0
193.05089	86.3
194.05347	3.7
195.06641	62.6
196.06985	4.2
201.05615	1.8
217.05093	2.6
219.14316	1.4
220.03827	5.6
235.06108	62.6
236.06282	6.5
241.06554	1.6
247.06128	3.4
250.06311	3.5
258.19180	1.3
265.07111	9.4
267.06601	1.9
282.08936	5.3
295.08099	12.4
341.10303	31.9
342.10654	5.2
355.11853	1.8
368.08765	2.0
383.11328	18.3
389.12473	46.4
390.12839	5.9
413.12668	1.8
431.13489	28.9
432.13788	3.7
484.24463	1.6
491.15488	4.5
551.17310	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	549.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03432	0.6
58.00591	0.4
59.01380	16.9
60.25206	0.3
61.98833	7.7
70.00474	0.7
70.00891	1.1
71.01387	9.0
72.99316	1.8
73.02952	2.2
73.36671	0.2
74.02458	0.3
75.00880	0.5
83.01397	2.1
83.05029	0.3
85.02965	3.7
87.00884	1.2
89.02456	3.3
93.03509	0.5
95.01433	0.8
98.20544	0.4
99.00904	0.8
101.02450	6.0
105.03497	0.4
109.02976	0.5
111.00887	0.8
111.04548	0.3
113.02477	3.0
115.00385	1.2
116.05087	0.5
117.03480	0.9
119.03505	0.9
119.05093	0.4
121.02960	0.5
123.04533	0.6
125.02483	0.4
129.01938	0.4
130.06656	0.8
132.02208	1.8
133.02974	31.2
134.03691	1.2
135.03008	0.5
135.04546	13.3
136.04858	0.8
137.02489	1.4
139.00369	0.3
139.04041	0.7
142.06674	0.8
145.02957	0.7
148.98135	0.3
149.06099	1.0
150.03384	0.4
153.01962	0.4
158.06108	1.9
160.01697	0.7
161.02466	100.0
162.02800	5.0
163.04036	0.8
165.05600	0.9
175.02505	2.3
175.04050	0.7
177.05579	1.9
178.02760	0.6
179.03517	10.0
180.03871	0.5
184.07806	0.4
186.05640	1.0
189.12874	0.6
193.05089	0.6
195.03008	0.3
204.06688	8.1
221.04593	3.4
228.06625	1.8
251.05519	1.4
278.22415	0.3
281.06729	2.9
283.19162	1.2
287.15131	0.5
301.09271	1.2
301.20190	0.9
348.64557	0.4
387.16550	1.0
442.23514	0.3
445.24493	4.3
463.18802	0.3
463.25482	12.4
464.25827	1.7
505.26529	23.3
506.26831	4.4
511.24612	1.1
524.11249	0.3
549.23352	75.8
550.15076	0.6
550.23608	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
59.81113	0.1
61.98833	100.0
62.98536	0.2
63.99253	0.2
70.04826	0.7
76.89587	0.1
78.95948	0.1
79.09663	0.1
80.07308	0.1
86.17493	0.1
91.66531	0.1
92.20229	0.1
98.20538	0.2
151.00378	0.2
156.47566	0.1
198.61639	0.1
313.78345	0.1
393.54584	0.1
471.34918	0.2
487.30801	0.2
551.19843	0.8
551.29517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18314	0.2
59.01377	2.2
61.98830	100.0
62.60007	0.2
62.98544	0.2
62.99272	0.2
71.71075	0.3
74.32961	0.2
91.70341	0.2
91.88585	0.2
105.98878	0.2
217.59792	0.2
217.62199	0.2
299.98654	0.2
323.84991	0.2
363.46597	0.2
441.84702	0.2
487.31290	0.5
487.37775	0.3
550.31104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
57.03440	0.6
58.00596	0.5
59.01384	17.8
61.98836	7.7
65.79598	0.3
71.01386	7.7
71.71278	0.4
72.99321	1.4
73.02950	2.3
75.00892	0.7
82.95435	0.3
83.01406	1.4
83.05083	0.4
84.16752	0.3
85.02971	4.2
87.00906	1.0
88.98823	0.4
89.02454	3.9
95.01430	0.9
99.00922	0.9
101.02459	6.6
105.03497	0.7
107.05054	0.4
108.02175	0.4
109.02986	0.7
111.00906	1.1
113.02472	3.0
115.00401	1.1
115.04034	0.4
116.05070	0.6
117.03484	1.0
118.80166	0.3
119.03513	0.7
119.05009	0.4
123.04536	0.8
125.02462	0.8
126.71394	0.3
130.06676	0.4
132.02219	1.7
133.02986	31.9
134.03430	1.5
135.04552	12.1
136.04915	0.5
137.02486	1.0
139.04025	0.5
142.06674	0.9
149.02518	0.5
149.06128	1.3
153.01971	0.7
158.06123	2.1
160.01694	0.9
161.02473	100.0
162.02811	5.7
163.04099	0.8
165.05553	0.5
167.19464	0.3
175.02489	1.8
175.04057	0.8
177.05661	1.7
178.02809	0.3
179.03516	10.3
180.03920	0.6
186.05656	0.9
189.05664	0.3
189.12852	0.7
193.05048	0.8
204.06679	7.8
204.08549	0.6
215.47034	0.3
221.04562	3.0
228.06609	1.5
251.05547	1.6
281.06616	2.6
283.19180	0.9
285.20941	0.5
287.14719	0.4
301.03748	0.3
301.09296	1.0
301.20197	0.8
341.08884	0.4
387.16537	1.1
388.17010	0.4
444.16476	0.3
445.24518	4.4
446.24863	0.9
463.25476	11.4
464.25790	1.7
505.26529	22.8
506.26932	3.6
511.24506	1.2
512.24524	0.3
521.94714	0.3
549.23322	73.1
550.15027	0.7
550.23682	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	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07467	0.8
52.71813	0.9
55.01883	2.3
57.03451	2.7
58.00592	1.1
59.01383	58.5
61.76614	0.7
61.98833	38.2
69.03477	1.5
71.01387	21.1
71.42256	1.9
72.99311	7.4
73.02950	8.2
74.02466	0.9
75.00877	1.8
77.49040	0.7
83.01397	4.9
85.02953	12.6
87.00883	2.0
88.98825	1.9
89.02458	7.8
93.03512	0.7
95.01418	2.8
95.05066	0.9
97.02941	1.0
98.23401	0.7
99.00887	5.5
101.02456	18.9
101.03085	1.5
108.02263	0.9
109.98592	0.8
111.00930	1.7
111.04562	1.4
112.98582	0.8
113.02469	9.1
115.04032	3.1
116.05074	6.8
116.92928	1.1
117.03497	1.4
119.03525	2.5
119.05051	1.5
121.02930	0.9
123.04559	2.2
125.02438	2.6
128.05090	4.0
129.01965	0.8
130.06659	4.9
132.02214	1.7
133.02977	32.7
134.03780	1.4
135.04549	11.0
136.04950	1.0
137.02438	1.5
138.03284	1.5
139.04024	4.7
142.06654	12.7
143.07008	2.0
149.06087	1.4
150.03214	0.9
152.01111	0.8
158.06140	20.1
159.03087	0.9
160.01772	0.9
161.02467	100.0
161.04604	2.8
162.02785	5.9
163.03987	1.2
165.05592	1.2
166.06657	2.0
167.03499	3.3
177.01938	0.9
177.05598	3.1
179.03479	10.2
184.07739	2.2
186.05620	8.9
198.53857	0.9
204.06665	75.7
205.06978	1.9
206.07092	0.8
221.04581	4.1
228.06664	16.5
237.18660	1.0
246.42653	0.7
251.05592	1.4
262.81290	0.7
265.17981	1.2
273.07642	5.8
277.09311	2.5
281.06711	3.0
283.19189	4.7
285.20728	1.0
286.41342	0.8
300.02798	1.0
301.09271	12.8
301.20193	2.3
305.06638	0.8
319.10321	3.6
344.13083	0.8
345.08316	1.7
345.13403	1.8
386.14163	1.6
387.14563	2.4
417.25092	0.8
445.18988	1.4
445.24475	16.8
446.24524	2.5
463.25500	38.9
464.25772	5.2
489.27029	0.8
505.26547	87.7
506.26831	14.0
549.23334	78.8
550.15869	1.1
550.23608	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	549.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83642	0.1
51.63446	0.1
55.01889	0.2
58.00595	0.2
59.01381	4.6
59.25034	0.1
60.33102	0.1
61.98826	1.0
62.95949	0.1
63.69819	0.1
69.88238	0.7
71.01387	2.2
72.99312	0.3
73.02965	0.4
77.03986	0.2
83.01413	0.3
85.02956	1.0
87.00885	0.2
88.98813	0.3
89.02446	1.1
89.03976	0.2
89.31285	0.1
92.04461	0.1
93.71107	0.1
95.01363	0.2
95.05026	0.2
99.00852	0.2
101.02454	1.3
105.03482	0.5
107.05048	0.2
112.43937	0.1
113.02481	0.8
115.01934	0.2
117.03502	1.3
119.03513	0.4
119.05046	0.2
120.48470	0.1
121.03014	0.2
123.04572	0.9
132.02202	1.5
133.02977	32.9
134.03363	1.3
135.04541	8.0
136.04855	0.5
137.02463	0.5
145.03043	0.2
147.04536	0.9
149.06110	0.4
153.05615	1.1
160.01700	0.2
161.02463	100.0
162.02802	5.4
163.03993	0.3
165.05598	1.3
177.05565	0.6
178.54460	0.1
179.03523	4.6
180.03931	0.2
189.05611	0.4
189.12871	0.5
197.76752	0.1
206.30463	0.1
207.41335	0.1
218.77025	0.1
221.04556	0.6
251.05606	0.3
281.06601	0.4
445.24265	0.3
463.25400	0.6
484.06567	0.1
487.12613	0.2
505.26697	1.5
506.26486	0.2
507.28293	0.2
512.77124	0.1
549.23328	71.9
550.23676	13.8
550.32361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	0.2
59.01084	0.3
59.01382	4.4
61.91378	0.1
61.98830	5.3
69.37894	0.1
69.38222	1.7
71.01388	2.7
72.41763	0.1
72.99310	0.3
73.02960	0.5
83.01380	0.5
85.02950	1.2
87.00874	0.2
88.98840	0.3
89.02447	1.7
89.03986	0.2
93.03477	0.3
93.60023	0.1
95.01412	0.4
101.02470	1.5
105.03490	0.5
109.02965	0.2
111.00910	0.4
113.02448	0.9
115.01898	0.2
117.03487	1.0
119.03520	0.3
123.04547	0.4
125.02480	0.2
132.02182	1.6
133.02975	31.8
134.03397	1.1
135.04546	8.0
136.04868	0.3
137.02466	0.7
139.04059	0.2
145.02916	0.3
149.06087	0.3
152.76787	0.1
153.09232	0.4
160.01619	0.2
161.02463	100.0
162.02794	5.7
162.89030	0.1
163.03989	0.4
165.05513	0.2
177.05606	0.5
178.02730	0.1
179.03522	4.7
180.03827	0.2
189.12839	0.4
204.36281	0.1
221.04536	0.7
251.05638	0.3
281.06735	0.2
301.03479	0.3
301.20230	0.3
325.20285	0.2
444.77710	0.2
454.19434	0.2
457.14862	0.2
463.25531	0.3
505.26346	0.8
549.23346	69.1
550.23706	12.8
550.32336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
55.42468	0.5
56.08429	0.6
59.01374	1.1
61.98828	0.7
65.00333	1.8
69.53585	4.6
71.01382	0.6
76.68030	0.5
83.01390	1.3
89.02467	0.7
107.01410	2.2
108.02189	2.4
109.02962	1.6
109.21851	0.4
120.94971	0.7
121.02991	2.3
128.10031	0.6
135.00879	0.5
145.03018	0.7
148.01709	2.0
149.24187	0.5
151.00397	11.1
161.02502	1.1
163.00389	2.8
164.01097	0.7
169.01529	1.1
178.99861	6.4
181.05148	0.7
186.87617	0.5
187.03931	0.7
199.04047	1.3
203.03430	0.6
204.06573	0.7
211.04063	1.5
226.02742	1.5
227.03558	4.0
229.05252	0.5
239.03569	0.5
243.02985	10.4
244.03569	1.0
245.04599	1.4
254.02232	1.9
255.03000	30.0
256.03348	2.2
271.02472	61.5
272.02921	7.1
273.03973	1.5
283.02533	1.6
293.60843	0.6
299.02008	1.9
300.02771	100.0
301.03467	46.4
302.03882	3.6
309.09140	0.6
311.10114	0.6
337.08176	0.7
387.11896	0.7
393.44833	0.6
429.12823	0.9
463.08878	3.8
489.14987	1.2
505.09860	83.3
506.10233	12.8
549.17120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92097	0.2
57.03446	0.5
58.00593	0.2
59.01381	12.6
60.99301	0.3
61.98832	10.1
66.51031	0.2
69.03472	0.2
69.88373	1.1
71.01389	5.2
71.01756	0.3
71.05019	0.3
72.99316	3.5
73.02960	1.5
75.00887	0.4
83.00980	0.2
83.01386	1.1
83.05056	0.2
85.02956	2.5
86.00124	0.2
87.00885	0.6
88.04057	1.2
88.98817	2.0
89.02451	2.8
89.03968	0.2
95.01405	0.5
95.05048	0.3
97.02949	0.4
99.00864	0.4
101.02460	3.5
102.02816	0.2
105.03489	0.5
109.02982	0.2
109.06578	0.2
111.00914	0.6
113.02483	2.3
115.01989	0.2
117.03486	1.3
119.03612	0.9
119.05045	3.6
121.02974	0.2
123.04543	9.7
124.04831	0.4
125.02461	0.5
127.00357	0.2
127.05582	0.9
131.03474	0.2
132.02171	1.7
133.02975	32.5
134.03416	1.3
135.04541	9.1
136.04898	0.6
137.02470	0.7
137.06082	0.2
138.05556	0.3
139.04041	0.2
143.03520	0.4
145.03027	0.9
145.06612	0.4
147.04546	13.7
148.04897	0.8
149.06094	0.5
151.04070	0.2
153.05595	18.3
154.05920	0.8
159.04541	0.2
160.01697	0.4
161.02464	100.0
162.02802	5.2
163.04008	0.6
163.14870	0.2
164.03426	0.2
165.05586	25.8
166.05922	1.6
175.04013	0.2
177.01947	0.5
177.05580	1.2
178.02792	0.2
179.03520	6.8
180.03845	0.5
181.05180	0.2
181.12241	0.2
188.22099	0.2
189.05589	8.7
189.12865	0.6
190.05937	0.7
193.05005	0.3
195.06650	3.0
196.06975	0.2
203.05652	0.2
204.06606	0.3
205.05199	0.3
221.04562	1.5
226.23987	0.2
229.03716	0.3
237.07738	0.4
239.05734	0.3
251.05574	0.7
252.06006	0.2
261.07565	0.4
263.05508	0.6
267.07089	0.2
281.06674	1.6
282.07050	0.4
283.19250	1.0
284.19556	0.2
285.20764	0.5
301.20126	0.2
315.10910	2.2
316.11298	0.3
323.07602	0.4
327.22009	0.2
339.10745	0.7
341.08755	1.1
342.09210	0.2
343.09485	0.2
357.11945	1.6
358.11926	0.2
383.09879	2.8
384.10211	0.2
431.22913	0.3
445.24408	1.5
463.25528	3.3
464.25937	0.5
487.12445	2.0
489.27130	0.7
505.26611	8.1
506.26929	1.3
507.27963	1.5
531.22314	0.4
548.23126	0.2
549.23193	62.8
550.23547	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	548.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07032	0.1
50.48929	0.1
59.01376	0.7
60.73139	0.1
61.98832	100.0
62.98531	0.2
71.01418	0.1
71.70754	0.2
78.95930	0.2
79.95718	0.1
85.02957	0.1
88.98844	0.1
101.02477	0.2
107.89832	0.1
120.10058	0.1
121.02948	0.5
165.02031	0.3
199.37250	0.1
488.31134	0.1
489.34421	0.4
531.06262	0.2
549.08978	0.1
579.09460	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20089	0.2
59.01381	2.2
61.98834	100.0
62.98538	0.2
63.04664	0.2
64.09850	0.2
64.18167	0.2
71.70873	0.2
75.00873	0.3
76.67343	0.2
84.93272	0.2
88.98857	0.3
114.15225	0.2
144.63646	0.2
149.72945	0.2
161.55228	0.2
165.06857	0.2
194.06485	0.2
472.31540	0.5
485.29169	0.3
548.32526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20272	0.1
51.91114	0.1
59.01376	0.4
60.89194	0.1
61.98833	100.0
62.05840	0.1
163.15775	0.1
165.96974	0.1
393.05042	0.1
429.49048	0.1
444.35516	0.1
513.32166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
61.98835	100.0
71.70577	0.3
71.71341	0.3
73.72486	0.2
75.00887	0.6
81.57455	0.2
82.77508	0.3
157.35434	0.3
190.22202	0.3
297.13034	0.3
300.66364	0.3
472.31534	0.7
548.31750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29210	0.1
59.01381	1.1
61.98833	100.0
62.98538	0.3
63.99583	0.1
69.83363	0.6
71.01410	0.2
83.01410	0.1
85.02991	0.1
92.24176	0.1
101.02478	0.1
108.27734	0.1
133.03069	0.1
142.66420	0.1
147.86143	0.1
154.90312	0.1
197.22781	0.1
225.80322	0.1
343.29782	0.1
414.79681	0.1
549.31226	0.2
579.63409	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43961	0.3
55.77492	0.2
61.98833	100.0
62.98562	0.3
67.91068	0.2
69.70519	0.5
69.70929	1.4
100.41282	0.2
101.52968	0.2
116.14393	0.3
171.59361	0.2
349.67810	0.3
373.38400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58028	0.2
59.01384	1.5
61.98835	100.0
64.05545	0.3
69.41149	1.1
69.41582	1.7
115.97655	0.2
312.56198	0.3
334.73407	0.3
334.96124	0.3
418.90668	0.3
486.33237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30107	0.2
61.98833	100.0
64.72735	0.2
71.28883	0.5
76.91915	0.2
76.92612	0.2
80.49635	0.2
97.79889	0.2
155.41986	0.2
171.69003	0.2
512.42126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
60.01734	0.3
61.98833	100.0
62.98507	0.2
70.47742	1.1
91.47558	0.2
100.96055	0.2
136.39087	0.3
194.54971	0.3
206.92761	0.2
243.06961	0.3
411.84167	0.3
534.14398	0.2
548.37152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56302	1.3
51.43270	1.1
54.53649	1.2
59.01387	6.8
60.99308	25.3
61.98822	10.9
71.71908	2.4
74.94781	1.4
75.27618	1.3
78.95902	8.5
87.00883	2.0
90.86211	1.2
99.92598	3.2
111.04529	3.1
115.92121	1.7
116.92883	2.3
128.10655	1.1
130.13763	1.2
153.60384	1.3
175.04031	1.2
179.41644	1.4
179.89209	5.0
180.89944	1.8
193.90756	4.9
194.91693	2.1
196.89499	11.0
197.11758	1.2
223.13454	2.0
237.14981	3.6
239.23238	1.3
251.16495	2.4
252.00739	1.2
262.95978	1.6
277.18036	2.3
279.23248	1.3
305.21210	1.4
319.22818	3.1
335.27435	2.3
349.25455	1.3
365.28436	4.4
367.26401	2.0
379.30063	16.9
380.30402	3.4
399.29080	13.4
400.29071	2.4
407.29590	6.7
413.48016	1.4
423.29001	4.4
425.30637	3.5
432.28979	2.7
439.32202	34.9
440.32834	8.1
441.30066	1.7
443.28055	23.6
444.28485	3.8
457.29498	17.0
458.29987	5.5
459.30832	3.0
462.25937	5.7
473.23035	1.5
473.28912	6.5
474.29730	1.8
490.29358	70.0
491.29651	14.9
501.32239	100.0
502.32468	19.3
503.29993	4.6
517.31836	7.3
529.16809	2.4
543.14008	1.6
547.17725	8.9
547.32623	31.7
547.41016	1.6
548.18250	1.8
548.32825	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	548.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28849	0.2
59.01385	1.9
59.98650	0.2
61.98832	100.0
62.98550	0.2
86.53284	0.2
165.45700	0.2
167.15193	0.2
174.17163	0.2
286.71130	0.2
328.79120	0.2
441.29990	0.3
481.54333	0.2
485.29218	1.3
486.29468	0.4
487.34302	0.5
488.34677	0.6
548.33588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20967	0.5
56.90204	0.4
59.01088	0.8
59.01379	14.8
61.98832	31.3
64.38142	0.5
71.01386	7.9
72.99314	1.0
73.02966	0.9
83.01412	0.9
83.05038	1.6
85.02956	2.3
87.00893	0.8
88.98841	0.6
89.02441	4.2
93.03487	0.7
95.01419	0.8
97.02940	0.5
99.67185	0.5
101.02444	4.0
105.03489	0.5
107.05054	0.9
109.02966	2.0
113.02454	2.1
116.92909	0.8
117.03493	0.9
119.03510	0.9
121.06646	0.4
121.54193	0.4
123.04530	0.8
125.02463	0.9
132.02197	1.1
133.02975	24.7
134.03816	4.1
135.04543	78.8
136.04869	4.5
137.02467	3.9
145.02966	0.6
147.04463	0.8
148.05310	3.2
149.02518	0.5
149.06108	14.7
150.03232	0.5
150.06406	0.6
159.04443	0.6
161.02460	90.4
162.02797	5.8
175.04021	1.1
177.05589	30.8
178.02710	1.7
178.05934	1.5
179.03514	100.0
180.03870	5.9
189.05537	0.8
193.05070	0.8
203.03506	3.0
207.06610	0.9
209.06697	1.7
221.04555	45.2
222.04852	3.4
222.06569	0.4
233.04501	1.9
251.05605	48.7
252.06027	3.5
281.06665	77.5
282.06979	6.8
305.06711	1.6
311.07819	1.0
323.07617	4.6
324.08154	0.8
341.08777	84.2
342.09137	9.4
385.11554	2.1
458.96097	0.5
503.18155	0.6
503.25156	0.6
529.20599	1.7
547.21588	8.0
548.22174	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	547.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.03448	0.5
58.00624	0.4
59.01380	10.8
61.98829	6.8
69.14470	0.3
70.87257	0.6
70.87627	0.5
71.01385	5.4
72.99301	0.9
73.02956	1.0
83.01402	0.6
83.05032	1.0
85.02962	1.9
87.00901	0.8
88.98850	0.3
89.02453	3.5
93.03476	0.8
95.01398	0.5
97.02961	0.3
98.02487	0.5
99.00891	0.4
101.02465	3.3
105.03481	0.4
107.05045	0.4
108.02187	0.3
109.02958	1.2
111.00916	0.8
113.02454	2.0
117.03506	0.9
119.03534	0.8
121.02953	0.6
123.04536	0.6
125.02483	0.5
132.02203	2.2
133.02971	32.3
134.03677	2.7
135.04539	57.5
136.04858	2.7
137.02458	2.2
139.04034	0.8
142.06650	0.3
142.54568	0.3
147.04515	0.5
148.05342	1.8
149.02457	1.1
149.06093	9.5
150.03214	0.7
150.06471	0.6
151.03944	0.5
155.07132	0.6
159.04504	0.5
160.01656	0.3
161.02460	100.0
162.02798	6.0
163.03973	0.4
164.04753	0.5
167.03447	0.5
173.06172	0.4
174.01744	0.4
175.03947	1.5
176.01199	0.3
177.05586	21.6
178.02719	0.8
178.05904	1.6
179.03510	74.6
180.03842	4.6
189.05531	0.6
190.02705	0.6
191.03430	0.6
193.05066	0.4
199.06129	0.3
203.03503	2.5
204.06743	0.4
205.05052	0.8
206.05788	0.4
207.06566	0.3
209.06593	0.5
211.13409	0.3
221.04552	32.4
222.04854	2.2
223.06165	0.6
233.04559	0.9
245.04579	0.3
251.05591	34.3
252.05927	2.6
252.08418	0.4
265.07193	0.6
281.06662	57.9
282.06970	4.4
284.03192	0.4
305.06546	0.4
311.07721	0.9
323.07687	3.1
341.08771	56.3
342.09122	6.3
353.08887	1.2
367.10428	0.7
371.09869	1.0
385.11264	0.5
409.78174	0.3
477.58661	0.3
487.25528	0.7
505.26486	0.7
529.16846	0.7
547.14398	3.5
547.21783	5.0
547.27838	3.1
548.14703	0.6
548.22003	1.9
548.29169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
58.00597	0.5
59.01380	14.0
61.98832	1.3
63.48478	0.3
70.86852	0.6
71.01388	6.1
72.99320	1.0
73.02967	0.8
83.01405	0.7
83.05038	1.8
85.02978	1.7
87.00899	0.4
88.98831	0.5
89.02455	3.8
89.03976	0.3
92.19891	0.3
93.03497	0.5
95.01401	0.5
99.00922	0.6
101.02466	3.6
105.01924	0.3
105.03474	0.4
107.05059	0.7
109.02973	2.1
111.00887	0.6
113.02462	2.0
116.05079	2.6
117.03500	0.7
119.03532	0.8
121.02947	0.4
121.06616	0.5
123.04539	0.4
124.94994	0.3
128.05025	0.6
131.03574	0.3
132.02196	1.0
133.02979	27.9
134.03815	4.5
135.04543	77.4
136.04860	3.5
137.02463	3.9
138.05618	2.2
139.04019	0.5
142.06647	18.4
143.03578	0.4
143.06987	1.2
146.03749	0.4
147.04556	0.6
148.05299	2.7
149.06104	14.0
150.03275	0.5
150.06442	0.9
157.92140	0.3
158.06126	3.7
159.04489	0.5
160.01788	0.3
161.02464	92.6
162.02800	5.1
163.04022	0.5
168.08241	1.0
175.04059	1.2
177.05589	29.9
178.02747	1.6
178.05960	1.9
179.03514	100.0
180.03865	5.3
186.05627	12.1
187.05969	0.7
187.07530	0.5
189.05540	0.7
194.08049	0.4
203.03485	2.1
204.06670	14.0
205.05127	0.6
205.07025	1.1
207.06674	0.5
209.06693	0.3
211.04074	1.2
221.04559	48.0
222.04910	3.3
228.06648	0.4
233.04588	1.5
237.14116	0.6
239.03542	1.5
245.04410	0.5
246.07669	0.6
251.05600	47.2
252.05923	3.6
268.03781	1.0
269.04495	0.8
277.07175	0.5
281.06662	84.6
282.07034	6.1
305.06711	0.8
311.07928	0.5
323.07687	4.0
323.13995	0.5
324.08032	0.4
325.11865	0.6
341.08780	71.7
342.04941	0.3
342.09113	6.8
343.13010	9.3
344.13379	0.9
381.33575	0.4
385.14059	16.6
386.14474	2.1
427.14957	0.9
503.25012	0.5
505.18658	0.4
509.24039	0.7
510.24680	0.4
529.20459	0.9
547.14075	1.8
547.21875	5.2
548.22467	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	547.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
57.24993	0.4
59.01378	23.1
61.98833	97.8
62.98563	0.9
63.99236	0.7
69.36166	0.5
71.01392	4.7
71.71204	0.8
72.99300	1.0
73.02947	1.7
81.03464	1.6
82.52332	0.4
83.01379	4.7
84.02950	0.4
85.02984	2.8
87.00857	0.6
87.04511	0.6
88.98786	0.6
89.02469	1.9
95.01402	0.7
97.02979	0.7
99.00890	0.6
101.02455	2.9
104.03558	0.6
106.06646	0.5
108.02199	1.4
109.02979	4.3
111.00878	2.2
113.02464	2.5
115.00466	0.5
121.03001	0.7
123.00910	7.2
123.04537	11.9
124.01678	6.2
124.04877	0.5
125.02473	11.4
132.02216	1.3
133.02994	0.5
134.03737	2.3
135.04568	1.0
136.01682	32.3
137.02507	6.4
138.03236	1.0
148.05350	1.3
149.02425	0.7
149.06100	3.8
151.00385	1.7
151.04024	41.6
152.04330	2.1
153.01915	0.6
153.05598	0.6
160.01678	7.8
160.05338	1.2
161.02463	1.0
161.04623	1.0
161.05960	0.7
163.03990	0.9
163.07635	1.3
164.04779	1.7
165.05586	8.8
166.02768	2.9
167.03514	29.0
168.03893	1.5
171.43608	0.5
175.03986	6.3
175.07640	3.7
176.04497	0.6
176.08395	1.7
177.09253	0.8
179.03519	0.8
179.07167	0.7
191.07204	3.7
193.05003	1.0
203.07101	1.2
205.08691	0.6
235.06126	1.1
265.07361	0.5
265.14252	0.5
288.06381	2.0
295.09723	2.0
295.22604	0.5
310.12134	2.4
311.12302	0.5
313.10904	0.6
315.10999	0.5
325.14496	1.8
328.13147	12.3
329.13544	1.7
343.15515	100.0
344.15845	12.8
350.25287	0.5
367.11862	0.6
385.12903	22.0
386.13168	2.4
442.66437	0.5
445.31989	0.5
487.19763	1.9
487.32971	6.5
488.32938	1.1
503.28131	0.5
505.33820	2.8
547.24969	6.9
548.25970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25940	0.2
57.03452	6.4
59.01377	4.3
61.98833	10.8
65.00320	0.5
67.01901	0.2
69.38326	2.6
71.01390	1.8
72.99303	0.3
73.02942	0.8
74.02482	0.3
75.00883	0.8
75.33937	0.2
81.03463	6.0
83.01393	12.8
85.02964	0.8
86.18166	0.2
88.98813	0.4
89.02460	0.8
89.38013	0.2
93.03470	0.4
95.01402	0.8
95.05047	0.9
99.00848	0.3
99.04540	0.7
99.88628	0.2
101.02473	1.1
107.01402	0.8
107.05090	0.4
108.02220	0.4
111.00900	0.5
111.04530	0.3
113.02485	0.8
119.03532	0.3
119.05047	0.4
123.04544	39.1
124.01659	0.7
124.04850	1.8
125.02464	81.6
126.02786	2.4
133.02965	1.0
134.03818	0.5
135.04552	2.4
137.02487	0.8
139.00369	0.3
143.04636	0.2
145.02946	0.4
146.03796	0.3
147.04500	0.4
149.02460	1.4
149.06094	0.3
151.00383	4.6
151.04042	0.7
152.01109	0.5
161.02492	2.8
161.04599	0.4
163.04056	0.7
163.07661	0.2
165.01953	0.5
165.05518	0.4
166.02721	5.2
167.03514	100.0
168.03856	5.1
173.06071	0.2
175.02602	0.3
175.04041	0.7
175.07646	0.6
176.04832	3.3
176.08177	0.2
177.01927	0.3
177.03419	0.6
177.05452	0.6
177.09212	0.3
179.03520	7.6
180.03899	0.3
181.05206	0.2
187.07680	0.8
190.02698	0.3
191.03503	2.1
192.03926	0.3
198.01738	0.4
202.06435	0.3
205.08696	2.8
209.04686	0.3
213.05630	0.3
213.09207	0.3
221.04582	0.4
230.05858	0.4
231.10353	0.4
241.08717	1.7
252.07790	0.3
255.06680	0.3
255.10240	0.4
257.11798	0.3
259.09781	2.3
264.10196	0.3
269.08136	0.5
269.11642	0.4
271.13443	0.2
281.11914	0.6
283.09589	0.3
288.06372	2.7
297.11356	1.9
299.12939	0.8
312.09695	0.3
315.08691	0.5
317.11804	0.4
323.09525	0.3
323.12875	1.5
325.10690	0.4
341.09357	0.3
341.14069	0.7
367.11908	4.7
368.12225	0.7
385.12930	73.8
386.13281	10.5
409.12970	0.5
427.13922	1.1
451.13928	0.5
457.14969	0.6
546.78625	0.8
547.21454	1.1
547.29510	0.6
548.20624	0.5
572.12946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1665
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
56.35489	0.5
57.03452	1.5
58.00588	1.1
59.01382	22.9
61.98830	4.2
69.03465	1.0
70.58443	1.0
70.58832	1.3
71.01391	19.1
71.05013	1.0
72.99316	10.2
73.02958	3.8
75.00880	11.8
81.03460	3.3
83.01405	3.5
83.56218	0.5
85.02962	8.6
86.67825	0.5
87.00881	8.2
88.98817	1.6
89.02460	14.4
91.05573	0.6
95.01396	1.4
96.96023	5.8
97.02964	1.8
98.20588	0.6
99.00884	3.2
99.04505	3.9
100.06166	0.5
101.02467	12.9
108.02183	1.2
109.02988	1.3
111.00862	2.8
113.02460	11.2
115.00404	2.9
116.86763	0.5
116.92886	2.2
117.02021	0.6
117.03488	0.7
119.03556	5.2
119.05038	10.8
121.02990	1.9
123.04510	0.7
125.02457	6.3
127.05575	2.6
129.01949	1.0
130.99879	1.5
131.03523	1.2
132.00606	1.5
132.02161	0.6
133.02994	1.6
133.05098	2.1
134.03778	1.5
135.04552	2.1
137.02502	0.6
139.00432	0.8
141.02026	0.6
143.03535	3.4
145.01410	0.7
145.06622	1.0
147.04544	44.5
148.04865	2.7
149.02457	9.8
149.06079	0.9
151.04034	1.0
151.06122	1.3
152.01176	2.3
157.01439	1.4
160.01698	1.4
160.04169	0.7
161.02502	4.9
161.04585	4.7
163.04039	1.7
164.04814	8.5
165.05592	100.0
166.02771	0.6
166.05917	7.0
167.03456	1.2
169.01443	0.7
169.05103	1.0
174.01709	0.7
175.00409	3.8
175.02484	5.0
175.04030	2.6
175.06137	1.0
176.01173	1.3
177.01959	0.8
179.03548	1.2
179.05606	6.8
179.07178	1.7
187.02507	2.2
189.05588	25.8
190.02740	14.2
190.05818	1.5
191.03456	1.7
192.02800	7.8
193.01517	0.8
193.05081	2.3
205.05070	14.2
206.05614	1.9
207.03023	1.0
208.03754	1.0
209.04570	0.8
221.04482	0.8
221.08209	2.0
223.06163	8.9
235.06055	1.0
237.06113	9.5
237.08148	0.9
245.15414	0.6
263.07693	1.2
265.07166	4.7
265.42334	0.6
277.09274	1.6
295.10721	5.5
302.14014	0.5
313.11444	1.4
325.09323	1.5
337.11465	1.0
341.10785	1.8
355.12659	5.1
367.10287	4.6
368.10968	1.1
371.11935	1.5
381.10431	4.0
385.11414	1.6
427.12482	0.8
429.13168	0.8
443.11987	4.7
457.20694	4.5
459.14960	0.9
467.12076	1.0
485.15903	1.3
503.17532	0.8
529.15643	1.3
547.16553	38.0
547.24011	6.6
548.16650	6.5
548.24323	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	547.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70167	0.4
57.03453	1.1
59.01381	13.1
61.98849	1.0
67.01888	0.7
69.03455	0.5
71.01388	17.9
72.01718	0.8
72.99319	2.1
73.02938	2.3
74.02470	1.0
74.89848	0.4
75.00883	0.5
83.01397	6.6
85.02964	4.1
87.00889	31.2
89.02453	1.3
95.01421	0.5
99.00884	1.1
101.01845	0.4
101.02464	2.8
102.59055	0.4
111.00896	9.1
112.98847	0.9
113.02462	3.2
115.00392	58.1
116.00719	1.4
121.02932	2.7
125.02474	0.8
127.00375	1.7
129.01930	0.6
133.02917	0.5
139.00397	16.6
139.44327	0.5
140.00645	0.7
143.11978	0.5
147.04587	1.0
147.06744	0.6
157.01453	27.6
158.01802	0.8
158.08224	2.2
160.04033	0.5
165.05595	1.2
166.86504	0.5
175.02502	100.0
176.02818	3.4
179.03502	0.5
225.40503	0.5
253.09761	0.7
266.06964	0.7
267.07544	0.6
267.11584	0.9
275.55298	0.4
279.07678	0.5
280.08640	2.8
285.16312	0.5
295.10922	7.6
296.11227	1.0
297.12424	0.7
309.12549	0.9
323.10825	0.6
325.11987	2.0
327.13589	4.1
339.09845	3.7
340.10114	0.6
353.11533	1.8
355.13284	0.6
369.11099	0.6
371.12451	10.4
371.16785	0.8
372.12814	1.5
391.13068	1.8
397.10510	2.2
399.11884	1.0
401.13599	2.2
425.27832	2.2
429.12982	6.1
430.13699	0.9
431.14612	1.6
435.11923	1.4
443.14807	1.2
447.13922	0.8
453.12952	0.7
467.14639	6.6
468.14890	1.7
469.13678	0.7
485.15707	8.6
486.16153	2.5
487.13644	4.0
488.13840	0.6
499.13931	0.8
511.13824	1.1
529.14423	1.3
547.15900	3.6
547.23370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11710	0.2
59.01395	1.5
61.98834	100.0
62.98540	0.3
63.21743	0.2
68.25758	0.2
69.62999	1.7
74.18142	0.2
75.00891	0.9
98.20601	0.4
208.81682	0.2
365.30524	0.2
387.40729	0.3
396.75638	0.2
471.34793	0.3
547.32458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.4
61.98833	100.0
71.71549	0.4
71.71899	0.4
73.48249	0.2
75.00879	1.5
95.20744	0.3
196.77142	0.3
351.12817	0.3
451.96347	0.3
471.34937	0.6
483.31177	2.4
484.31665	0.7
487.34460	2.8
515.30365	0.4
546.33282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41722	0.1
57.03443	0.2
59.01381	3.5
61.98832	5.1
65.00334	0.1
65.03947	0.1
69.78030	0.5
69.78463	0.4
71.01382	1.7
72.99316	0.4
73.02961	0.3
77.03966	0.2
83.01398	0.3
83.60496	0.1
85.02973	0.9
87.00877	0.3
88.89079	0.1
88.98810	0.3
89.02447	0.9
89.04003	0.2
89.60886	0.1
93.03462	0.2
95.01396	0.2
95.05044	0.3
97.02915	0.1
98.20638	0.2
99.00901	0.2
101.02460	1.1
105.03467	0.5
107.05016	0.1
109.02959	0.4
111.00912	0.3
113.02446	1.0
115.01910	0.2
117.03495	0.7
118.05200	0.1
119.03521	0.2
119.05034	0.3
119.81311	0.1
121.03014	0.3
122.03763	0.1
123.04552	0.3
125.02495	0.3
130.08809	0.1
131.03595	0.1
132.02197	2.5
133.02977	32.0
134.03403	1.3
135.04546	10.7
136.04869	0.5
137.02425	0.4
137.06061	0.1
142.06641	0.5
145.03012	0.4
147.04507	0.3
148.05281	0.4
149.02472	2.3
149.06131	1.0
150.03230	0.4
151.00407	0.2
151.04037	0.2
155.07185	1.1
160.01674	0.5
161.02466	100.0
162.02802	5.2
163.04021	0.8
164.04805	1.6
165.01996	0.2
165.05580	0.7
167.03508	0.5
173.02487	0.2
174.03185	0.2
175.00400	0.5
175.04002	1.4
176.01140	0.5
176.04413	0.2
177.01828	0.2
177.05615	1.7
178.06146	0.1
179.03517	15.3
179.06856	0.7
180.03836	0.8
186.05637	0.3
188.04904	0.2
189.05565	0.2
190.02744	1.8
191.03497	1.4
193.01479	0.1
193.05054	0.4
199.06097	0.5
203.01607	0.2
203.03491	2.6
203.06918	0.1
204.03937	0.2
204.06694	0.3
205.05038	1.7
206.05779	1.2
207.03026	0.5
207.06508	0.2
208.03743	0.4
209.04613	1.0
219.06650	0.1
221.04553	1.7
221.08130	1.0
222.05333	0.1
223.06133	2.2
224.06516	0.2
233.04501	0.3
235.02263	0.2
237.07613	0.4
246.69664	0.1
250.04790	0.4
251.05600	1.4
263.05466	0.2
265.07147	2.2
266.07407	0.2
281.06650	2.0
284.03424	0.2
285.03961	0.2
295.08090	0.6
311.07761	0.8
323.07773	1.3
324.47397	0.1
325.09167	1.0
341.08771	2.7
341.57388	0.1
342.09116	0.3
353.08777	2.0
354.09232	0.3
367.10345	1.5
371.09824	1.4
385.11395	0.5
427.14020	0.4
461.24207	0.2
474.26080	0.2
487.12436	0.4
503.17139	0.3
503.24915	0.6
505.26105	0.3
509.24155	0.3
547.14490	11.2
547.21832	1.1
547.28741	0.9
547.79321	0.2
548.14764	1.9
548.22345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75960	0.2
52.94682	0.2
58.27654	0.2
59.01382	5.2
60.46832	0.2
61.98833	100.0
71.70437	0.2
71.70839	0.3
72.10077	0.2
73.02940	0.2
135.22772	0.3
164.62517	0.2
185.97212	0.3
196.00468	0.3
276.30130	0.2
300.00092	0.3
457.42630	0.3
495.51517	0.3
505.05386	0.3
546.35022	0.8
549.27820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89118	0.1
59.01384	0.2
61.98834	100.0
62.98543	0.2
69.45576	1.3
69.56967	0.1
73.90114	0.1
80.26240	0.1
98.20650	0.3
109.84723	0.1
139.54561	0.2
141.13632	0.2
169.83284	0.1
192.49976	0.1
237.53641	0.1
272.95990	0.1
432.62335	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	546.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49022	0.3
59.01393	0.7
61.98834	100.0
75.00894	0.4
112.02174	0.3
129.59322	0.3
152.40642	0.3
219.42014	0.3
219.93539	0.4
288.02908	0.3
298.94901	0.3
321.52216	0.3
364.17828	0.3
456.27005	0.4
483.31155	0.4
546.44348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38919	0.1
59.01378	1.0
61.98834	100.0
62.98539	0.2
69.45821	1.0
71.01393	0.2
73.02959	0.1
75.00900	0.1
83.82382	0.1
85.02975	0.2
89.02434	0.3
93.15585	0.1
98.19917	0.2
101.02470	0.3
105.79338	0.1
109.57120	0.1
113.02413	0.2
161.04640	0.2
161.13646	0.1
201.05974	0.1
229.71510	0.1
253.09383	0.3
254.09756	0.2
265.80051	0.1
271.03979	0.1
291.19766	0.4
292.20215	0.3
309.20767	0.6
310.21060	1.0
315.87518	0.1
329.36172	0.1
385.13019	0.2
462.82736	0.1
486.30792	0.2
502.33258	0.2
546.31519	2.4
547.32458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73987	0.1
59.01380	2.7
61.17405	0.1
61.98832	100.0
62.98528	0.3
71.01391	0.8
71.71632	0.2
73.02963	0.3
83.95571	0.1
85.02966	0.5
87.00902	0.1
89.02462	0.4
99.00898	0.1
101.02464	0.5
101.09534	0.1
103.71440	0.1
111.00906	0.2
113.02492	0.3
119.03497	0.2
131.03540	0.1
152.11064	0.1
161.04550	0.3
179.05669	0.4
181.12396	0.2
199.13544	0.1
209.11946	0.2
225.11368	0.3
243.84927	0.1
245.62038	0.1
307.19467	0.1
477.60669	0.2
485.31143	1.1
527.28784	0.4
544.27631	0.2
545.31927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.296
Annotation	Officinoside D
Peak:m/z	Relative Intensity
51.84131	0.4
55.01873	3.6
57.03450	3.6
58.00595	1.5
59.01381	36.7
60.01719	0.5
61.98833	22.4
67.01886	0.5
69.03456	1.4
71.01388	59.1
71.71171	0.5
72.01723	1.2
72.99306	3.3
73.02954	16.1
73.56257	0.4
75.00878	1.3
80.03856	0.4
83.01399	9.9
83.05043	0.5
85.02959	25.9
86.03293	0.5
87.00876	4.0
89.02455	15.6
90.02819	0.5
95.01402	5.1
97.02969	2.1
99.00893	7.3
101.02457	46.0
102.02802	0.9
111.00902	3.6
111.08159	6.6
113.02466	26.5
114.02798	0.5
115.07648	0.5
119.03523	4.7
123.04572	0.5
125.02454	2.5
129.01952	1.0
131.03540	1.2
139.00328	0.5
142.06688	0.7
143.03516	3.8
145.03023	0.5
159.03024	5.1
161.04576	24.9
162.04871	0.9
169.12338	2.5
173.00949	1.8
179.05663	2.2
181.12386	0.6
197.11841	26.7
198.12228	2.0
199.13493	2.5
204.06725	0.9
205.03461	1.1
211.13406	3.4
221.06654	0.8
227.12959	0.7
253.09279	15.1
254.09796	0.8
263.20218	1.0
264.20541	0.5
265.18063	0.9
273.18674	0.4
278.36206	0.5
291.19626	8.7
292.20026	0.7
309.20715	28.3
310.21054	3.8
383.24384	14.9
384.24649	2.3
517.13940	0.6
545.29626	100.0
546.30060	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	545.3118
Annotation	Westiellamide
Peak:m/z	Relative Intensity
59.01379	4.4
61.98834	11.4
71.01394	0.6
73.02931	0.3
74.72005	0.3
85.02982	0.7
89.02446	0.4
101.02460	0.5
111.00870	0.4
113.02455	0.3
156.46335	0.2
161.94888	0.2
246.50339	0.3
297.22345	0.3
313.25482	0.4
365.28519	0.4
391.26593	0.6
393.27826	0.3
403.26498	0.3
421.27707	0.5
437.37317	0.3
485.31390	0.8
499.30597	2.8
500.30969	0.4
501.24786	0.4
501.32211	10.4
502.32498	2.2
545.31152	100.0
546.31494	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	546.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05328	0.2
53.71093	0.2
57.03453	0.3
59.01381	10.0
61.98833	100.0
62.98538	0.3
71.01392	2.2
71.28057	0.2
71.28387	0.4
72.99326	0.3
73.02953	0.5
75.00874	0.3
81.03489	0.3
83.01407	0.8
85.02954	1.3
87.00912	0.3
89.02471	0.6
93.03484	0.2
95.01454	0.5
97.02939	0.2
99.00937	0.3
101.02451	1.3
106.06625	1.5
107.42587	0.2
109.02975	0.8
111.00901	0.8
111.41953	0.2
113.02467	1.1
118.62103	0.2
123.00886	1.1
123.04524	1.0
124.01651	1.0
125.02441	1.2
132.02255	0.2
134.03764	0.4
135.04572	0.3
136.01688	5.4
137.02437	1.3
139.07681	0.2
144.55415	0.2
147.04439	0.2
147.40570	0.2
149.06122	0.6
150.05632	1.4
151.04025	7.6
153.02065	0.2
159.03015	0.2
160.01689	1.2
160.05309	0.2
161.02538	0.5
161.04642	0.6
161.06093	0.2
163.07780	0.2
165.05586	1.7
166.02725	0.4
166.80212	0.2
167.03519	2.0
175.02652	0.3
175.04008	1.6
175.05283	0.2
175.07666	0.9
176.08359	0.2
179.03598	0.2
179.07207	0.2
191.07198	0.6
192.06648	0.2
194.04678	0.5
209.11891	0.2
226.80721	0.2
281.06958	0.2
288.06488	0.4
295.09735	0.2
310.12170	0.5
325.14529	0.5
328.13156	2.8
343.15518	18.4
385.12912	2.2
402.98969	0.2
486.30072	0.3
487.19882	0.7
487.32779	2.7
505.33591	1.5
528.28137	0.3
546.33862	0.4
547.25024	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	543.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	6.2
59.01380	28.7
61.98830	10.1
71.27221	2.9
78.95944	1.8
83.96230	1.5
103.94614	1.5
160.86520	1.3
235.81375	1.6
260.18701	1.5
261.13278	1.5
287.20175	5.1
423.28558	15.7
424.29370	3.3
437.30249	1.7
439.32166	41.1
439.38208	2.5
440.32648	8.2
451.32172	8.5
452.32767	1.8
453.33795	21.0
454.34000	4.2
469.33218	63.4
470.33600	15.8
471.34833	82.0
472.35141	20.4
483.31250	18.3
484.31415	2.4
489.36185	1.6
515.33765	100.0
516.34088	22.9
537.14294	1.7
543.33234	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	544.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.25572	0.1
61.98835	100.0
62.98560	0.3
63.23616	0.1
65.50742	0.1
69.94127	0.3
69.94561	0.4
71.01389	0.5
71.71458	0.1
75.00914	0.2
77.91166	0.1
85.02978	0.3
87.00914	0.1
89.02470	0.4
92.22362	0.1
96.96037	0.2
99.04546	0.1
101.02489	0.3
102.48367	0.1
109.03004	0.2
109.42352	0.1
111.00923	0.2
113.02496	0.3
116.92857	0.2
119.03511	0.1
119.05067	0.2
123.04539	0.3
125.02477	0.2
133.02983	0.3
135.04552	0.4
138.05817	0.1
147.04523	0.1
147.06677	0.2
151.04016	0.3
160.04056	0.1
161.02483	0.7
161.08328	0.2
163.04088	0.2
167.03517	0.3
177.01950	0.2
177.05704	0.1
179.03528	0.3
195.06595	0.1
202.62280	0.1
219.46657	0.1
221.04657	0.3
281.06702	0.3
341.08734	0.2
390.62332	0.1
401.60034	0.1
485.13412	0.3
545.16644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49320	0.1
58.68940	0.1
59.01385	0.8
61.98832	100.0
62.98534	0.2
70.17219	0.5
71.01388	0.6
85.02978	0.5
87.00879	0.3
88.04084	0.1
89.02457	0.4
95.01404	0.2
96.29610	0.1
96.96017	0.1
99.00954	0.1
99.04530	0.1
101.02455	0.3
111.00916	0.3
113.02481	0.4
116.92873	0.3
119.03558	0.1
121.02943	0.1
123.04552	0.2
125.02470	0.2
127.04059	0.1
133.02988	0.3
135.04578	0.2
137.77164	0.1
141.30028	0.1
151.04070	0.2
161.02510	0.4
167.03555	0.2
177.01999	0.2
179.03590	0.3
179.05582	0.2
208.87729	0.1
221.04773	0.2
341.09167	0.2
377.23740	0.1
383.12619	0.1
469.73929	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	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90075	0.5
55.01874	0.8
57.03454	2.9
58.00591	0.7
59.01384	13.2
61.98834	21.2
68.99827	0.6
69.03439	0.9
69.54102	5.3
71.01392	16.2
72.99331	3.9
73.02940	1.9
75.00880	12.4
78.91899	2.4
83.01403	0.7
85.02968	18.1
87.00883	6.6
87.75624	0.5
89.02465	4.1
90.86670	0.5
95.01378	4.8
96.35756	0.5
99.00904	6.5
101.02439	1.3
103.00377	2.4
104.29481	0.5
113.01692	1.2
113.02467	21.3
114.02786	0.7
115.00388	1.3
117.01943	1.3
120.17957	0.5
129.01941	1.3
129.49075	0.5
131.03519	0.9
144.94095	1.3
157.01411	1.0
175.02504	2.5
195.13925	4.3
201.96263	4.2
205.07240	1.4
209.11775	0.7
223.13492	2.8
249.06129	4.8
253.09079	0.8
256.13019	0.7
267.07233	4.3
275.20203	1.8
293.17902	0.9
293.21210	16.6
294.21518	1.9
307.19189	1.3
360.08481	0.7
368.26981	0.6
499.30405	0.6
525.27209	1.9
543.28094	100.0
544.28448	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	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46791	0.4
55.01885	2.1
57.03445	2.5
58.00588	0.9
59.01383	100.0
60.01713	1.3
61.98835	12.1
71.01388	42.8
71.46587	0.3
72.01725	0.7
72.75204	0.4
72.99314	1.4
73.02953	12.0
75.00886	0.9
82.21725	0.4
83.01397	5.7
85.02963	20.2
85.22832	0.4
87.00903	1.5
88.46655	0.4
89.02457	7.1
95.01426	2.9
97.02974	1.4
98.19836	1.0
99.00890	5.6
101.02460	31.0
102.02792	1.0
111.00900	0.4
113.02470	18.2
114.02796	0.5
119.03536	2.0
123.27166	0.3
125.02480	1.2
129.01979	0.5
131.03549	0.9
143.03529	2.9
157.32013	0.4
159.03004	4.2
161.04587	30.1
162.04906	0.8
179.05695	2.6
205.03516	1.9
207.10318	0.4
221.06683	3.0
222.06897	0.4
225.11293	0.5
243.12396	0.5
263.07809	0.6
289.21790	1.5
299.08368	0.4
321.21057	0.5
321.24323	2.3
330.47040	0.4
365.23346	0.9
381.22708	1.0
401.98715	0.4
466.74066	0.4
480.89926	0.4
483.29636	82.8
484.29974	15.0
525.26642	0.5
543.27509	7.0
544.28552	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	543.3309
Annotation	Luvungin F
Peak:m/z	Relative Intensity
54.09057	1.5
56.25512	1.7
59.01383	42.4
61.98836	100.0
71.01392	17.9
71.70917	2.4
72.37736	1.7
72.99319	2.2
73.02973	4.8
74.02477	1.9
75.00858	2.2
83.01364	1.9
85.02973	6.9
87.00913	2.8
88.98828	1.9
89.02454	11.0
93.03501	2.6
99.00893	9.1
101.02456	10.9
103.73009	1.7
111.00903	4.6
113.02451	8.4
114.02732	1.7
114.97766	1.7
119.03549	4.1
125.02465	2.5
131.03560	2.5
137.97420	1.6
159.03082	3.7
161.02472	3.6
161.04617	5.7
171.10297	3.8
179.05679	4.3
205.08841	1.9
225.11421	3.2
243.12587	1.9
249.14966	3.6
269.12216	1.7
281.87463	1.9
423.10715	1.9
483.29846	4.4
507.35596	5.6
525.27051	2.8
543.20258	6.8
543.33148	80.8
544.33276	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	541.315
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
52.87674	1.8
57.03446	2.3
59.01383	24.5
61.98836	78.0
62.76473	1.6
63.13468	1.7
71.01397	10.4
71.71970	2.9
72.99315	2.1
73.02947	1.9
85.02975	4.0
87.24183	1.8
89.02486	5.3
94.31166	1.5
95.01439	1.9
96.96057	2.5
101.02487	6.7
111.00887	4.5
113.02477	6.2
117.48598	1.7
125.02483	4.8
133.02950	2.6
139.01541	2.1
142.06630	2.0
147.04535	2.0
154.51244	2.1
161.02466	4.9
161.04599	2.5
161.05896	1.8
165.05656	6.0
179.03558	1.7
179.05612	2.0
236.59747	1.8
247.13437	4.3
435.78363	1.7
472.19025	1.8
505.33646	12.7
506.34152	4.0
541.31592	100.0
542.31903	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3149
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
51.35126	1.7
56.41031	1.5
57.03428	1.8
59.01387	30.5
61.98834	100.0
71.01394	14.4
73.02951	2.5
74.02474	2.9
78.21269	1.8
80.96519	8.2
81.77480	1.5
83.01382	4.0
84.72183	1.8
85.02953	5.5
87.00883	2.9
88.98825	2.4
89.02431	8.7
95.01373	2.6
98.20684	3.1
101.02466	8.6
106.29041	1.7
111.00915	3.4
113.02478	7.0
119.03493	3.1
125.02448	5.3
135.04553	2.6
139.00360	2.2
142.06511	1.9
167.03485	3.1
179.03760	2.1
179.05385	1.6
229.59879	1.9
350.10037	1.8
488.02731	2.0
505.33865	22.1
541.19934	8.8
541.31439	86.6
542.31958	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	542.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	2.8
59.01381	48.1
59.50220	1.4
69.66801	2.9
69.67191	9.7
72.99306	5.3
79.20510	1.1
88.98812	5.6
116.05032	2.8
119.05031	5.5
130.06656	1.6
142.06645	65.0
143.06955	4.2
147.04547	100.0
148.04916	6.0
158.06117	9.2
165.05591	88.5
166.05882	4.2
186.05615	29.6
187.05954	3.5
204.06680	46.0
205.06966	3.9
207.06636	61.1
208.06932	3.0
219.80200	1.3
246.07687	31.4
247.07997	3.1
297.20703	1.3
353.62277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20425	0.2
56.87874	0.2
58.00603	0.7
59.01381	100.0
60.01723	1.4
61.85038	0.3
61.98834	9.0
70.76813	0.2
71.01388	10.8
71.71009	0.4
72.01740	0.2
72.99321	1.2
73.02959	0.3
75.00890	0.3
77.92865	0.2
77.96067	0.3
83.01410	0.5
85.02966	2.2
87.00867	1.1
89.02457	15.2
90.02828	0.3
95.01422	0.5
97.06589	0.2
101.02452	5.8
101.03083	0.4
104.65116	0.2
106.05596	0.2
111.00948	0.3
113.02469	4.8
116.07234	0.3
116.92919	0.2
119.03520	6.3
119.04292	0.4
119.86171	0.2
123.00913	0.3
124.01735	0.4
125.02472	2.0
131.03560	0.7
137.08408	0.2
143.02470	0.4
143.03522	2.2
149.04599	0.7
149.06198	0.2
149.99640	0.6
161.04599	2.1
161.05772	0.3
168.00627	1.4
169.01350	0.2
179.05638	6.1
180.06064	0.2
204.06654	0.8
321.75873	0.2
409.65305	0.2
409.86517	0.2
421.00427	0.2
481.27454	0.4
541.19525	2.3
541.27100	1.4
542.19556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.00591	2.9
59.01380	84.2
59.64954	1.4
61.98827	5.3
65.71881	1.2
68.07439	1.1
70.02226	3.3
70.02639	5.2
71.01387	60.7
72.99339	3.0
78.13138	1.2
78.99920	1.4
79.24396	1.0
85.02950	9.5
87.00897	3.8
89.02454	100.0
90.02794	1.8
95.01396	4.7
98.19933	1.2
101.01781	1.7
101.02453	31.1
113.02460	26.2
119.03513	38.2
131.03532	5.4
143.03519	7.6
149.04573	3.9
150.03241	1.9
152.69800	1.2
161.04552	13.7
165.05612	3.7
179.05634	63.3
180.05978	3.0
185.06102	1.7
195.04617	2.2
195.06453	1.4
197.06241	1.3
211.06203	1.3
212.04729	1.6
213.05576	17.0
223.04051	3.8
224.04942	2.3
225.05511	2.6
240.04283	8.2
240.07933	2.9
241.05055	70.3
242.05408	5.7
255.06624	19.5
256.07388	42.0
257.07806	3.2
270.08948	15.4
271.09732	65.7
272.10062	6.4
301.10858	12.7
302.11349	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	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
58.00577	3.1
59.01379	79.9
61.98825	3.6
64.82162	1.4
69.77366	6.2
69.77779	2.1
71.01383	50.8
72.99312	4.1
73.02953	2.3
78.33549	1.2
81.93085	1.4
83.01398	1.8
85.02956	7.1
87.00879	3.8
89.02452	100.0
90.02791	2.3
95.01385	2.7
101.02457	28.4
113.02457	24.7
119.03519	39.6
131.03513	4.1
139.20079	1.5
143.03510	11.1
149.04556	5.2
150.03204	1.8
161.04552	11.9
165.05479	2.8
167.03540	1.9
179.05624	65.9
180.05951	1.9
185.06148	1.9
212.04866	1.9
213.05565	11.1
223.04016	2.3
224.04744	2.4
225.05478	2.4
227.07069	1.7
240.04323	6.8
240.07954	1.6
241.05060	62.2
242.05380	5.3
242.52977	1.3
253.04858	1.9
255.06628	18.1
256.07391	42.8
257.07745	4.0
270.08951	14.5
271.09732	61.3
272.10129	8.6
301.10803	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	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	5.6
59.01382	89.9
60.01712	2.6
61.98837	12.9
62.69488	1.5
70.25117	6.6
71.01387	62.4
72.01725	1.6
72.99319	4.5
75.43235	1.4
83.01381	1.4
85.02966	8.4
87.00875	4.2
89.02453	100.0
90.02781	1.9
95.01417	4.1
96.96022	2.3
101.02455	36.2
102.39075	1.4
109.02924	1.6
113.02469	29.1
115.36932	1.3
119.03520	39.6
121.02991	1.9
122.03773	2.7
123.04561	1.6
125.02451	2.1
131.03522	5.4
133.02982	2.9
135.04514	4.5
136.01643	1.6
137.02472	1.6
142.44862	1.7
142.92813	1.3
143.03522	9.0
146.72781	1.4
147.06657	4.6
149.02463	8.4
149.04572	3.2
150.03262	22.3
151.03996	3.3
160.04030	1.3
161.02487	11.6
161.04532	13.1
162.02852	3.9
162.76836	1.3
165.05589	30.0
167.03529	1.3
172.28394	1.2
179.03572	3.8
179.05624	54.8
180.04140	1.9
180.05870	1.4
181.05092	4.8
185.06152	2.2
195.04645	2.6
195.06624	7.7
212.04729	3.4
213.05637	12.0
221.06612	1.7
223.04030	3.0
224.04810	3.4
225.05611	1.7
227.06984	1.6
240.04349	5.8
240.07961	2.7
241.05060	64.5
242.05396	5.4
247.22740	1.5
255.06604	19.5
256.07413	46.4
257.07919	3.7
270.08929	15.3
271.09723	60.5
272.10129	5.5
301.10831	18.5
313.10834	1.7
331.11868	3.4
341.08865	2.3
379.11417	1.6
478.15369	6.7
493.17191	4.9
505.15533	4.6
515.13922	1.5
538.89423	2.0
541.18835	5.2
542.18469	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	539.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.9
59.01379	26.0
62.93063	0.7
68.92437	0.6
69.03480	0.6
70.96622	1.7
71.01006	1.0
71.01389	26.8
72.99332	1.6
73.03001	2.4
75.00911	1.1
78.95966	1.0
83.01438	1.3
85.02966	4.0
85.32675	0.6
87.00890	9.1
89.02458	40.5
90.02829	1.4
95.01444	1.2
97.03009	1.0
101.02459	20.9
111.00938	0.7
113.02464	12.8
119.03523	7.3
123.00957	1.0
125.02497	1.8
129.02040	1.1
131.03584	2.6
138.03317	1.0
143.03505	4.3
149.04634	1.3
161.04590	8.4
179.05629	34.9
180.06241	0.8
182.02289	1.1
185.68874	0.7
197.04584	5.0
198.01732	0.7
198.07838	0.9
214.98810	2.0
221.06682	20.0
222.07091	1.4
242.05228	0.7
242.85997	0.7
256.99811	0.9
263.07709	0.7
281.08896	1.8
287.00900	1.0
323.09958	3.1
341.10916	7.1
342.11188	1.0
359.09958	1.3
368.47015	0.7
377.08591	18.1
378.08783	1.4
503.16162	100.0
504.16574	13.3
539.13788	66.7
540.14258	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	540.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40195	0.3
59.01377	1.1
61.98833	100.0
62.98529	0.4
63.90645	0.3
71.40804	0.3
71.71050	0.4
71.71437	0.5
81.89130	0.3
109.79530	0.3
111.00887	1.1
145.03067	0.6
207.85574	0.4
211.13463	0.5
372.01093	0.3
505.28171	0.7
509.27673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	82.0
71.05501	0.9
71.05877	0.8
84.00915	8.0
84.39362	0.4
120.54887	0.4
149.50389	0.5
357.63504	0.4
391.30307	0.7
407.29590	2.4
409.31131	18.1
410.31357	3.3
453.30081	30.5
454.30417	5.4
459.59012	0.4
538.27820	100.0
539.28101	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22351	0.8
52.81997	0.7
55.01134	0.6
55.01910	0.7
58.00611	1.1
59.01383	25.9
67.25364	0.7
69.81644	4.8
71.01391	22.4
72.99345	1.7
73.02979	2.5
80.60382	0.7
83.01424	1.3
85.02978	3.7
86.67213	0.7
87.00893	5.5
89.02458	36.8
92.91662	0.8
95.01404	1.9
98.19839	0.9
101.02463	21.2
102.02789	0.9
111.00922	1.2
113.02473	12.4
114.02890	0.9
119.03527	6.1
125.02451	1.1
131.03555	1.9
143.03525	3.9
149.04712	1.3
154.73540	0.8
161.04596	7.5
171.38901	0.7
179.05635	33.6
180.06047	0.9
194.99232	1.1
197.02213	0.8
198.01802	2.6
213.99078	0.7
214.19266	0.7
221.06673	19.2
221.08696	1.4
222.07220	0.9
222.55423	0.7
262.55597	0.8
281.08878	2.7
323.09851	4.5
341.10910	6.9
342.11118	0.9
377.08542	18.6
378.08908	1.2
383.11917	1.8
417.29410	0.8
503.16183	100.0
504.16391	11.8
539.13831	67.8
540.14142	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	538.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26199	0.4
57.03429	0.7
59.01385	5.6
61.98832	47.5
69.78656	0.7
69.79068	1.9
71.01392	4.4
73.02966	0.5
83.01410	0.6
84.74475	0.3
85.02942	0.7
87.00916	0.4
89.02457	4.0
90.14042	0.3
101.02447	3.1
113.02460	1.4
117.03493	1.0
119.03519	1.4
123.04578	0.5
132.02206	0.7
133.02977	20.1
134.03328	0.6
135.04549	11.6
149.06087	0.6
150.03270	0.7
151.04068	0.5
151.06145	2.0
161.02464	95.6
162.02800	5.5
163.03955	0.7
165.05565	0.8
177.05597	1.6
179.03505	12.2
179.05814	0.6
195.06581	0.6
221.04657	1.8
251.05582	0.9
281.06650	2.1
323.07663	0.7
341.08774	1.1
449.15344	0.4
475.14572	100.0
476.14877	12.9
503.14270	0.4
538.15692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99753	0.6
57.03454	2.2
59.01384	9.5
61.98835	61.7
62.19405	0.6
66.09125	0.6
69.03413	0.5
69.43020	2.6
69.43447	3.9
71.01392	6.5
72.09628	0.6
73.02959	1.2
75.00897	1.0
83.01382	0.8
85.02953	2.0
87.00916	1.6
89.02460	6.0
95.01415	1.0
96.96054	0.7
98.20705	0.8
99.04539	1.0
101.02456	4.5
101.10315	0.6
107.05023	0.8
111.00915	2.7
113.02469	2.9
117.03503	1.2
119.03548	2.2
121.02985	0.6
123.04519	1.2
125.02486	1.6
132.02203	0.9
132.95326	0.7
133.02969	18.3
134.03545	1.0
135.04550	14.9
137.02454	1.4
139.00395	1.0
147.06654	0.7
149.02473	1.6
149.06061	1.8
150.03256	1.8
151.04044	1.9
151.06171	2.1
153.01973	1.5
154.02766	1.2
161.02470	100.0
162.02794	5.5
163.04112	0.7
164.04811	0.6
165.05641	2.0
168.04312	1.0
169.05090	1.7
175.02562	1.3
177.05566	2.9
179.03516	17.5
179.05260	0.9
179.05769	0.9
180.03940	1.1
181.05125	0.8
189.05644	0.7
193.05051	0.7
203.03561	0.9
221.04457	4.6
221.93716	0.8
251.05632	3.2
281.06656	4.6
298.11746	0.8
323.07950	1.0
327.12265	0.8
328.12546	1.2
329.68665	0.7
341.08850	1.9
342.08920	0.9
346.14145	0.8
361.79922	0.7
373.11697	1.0
376.15005	1.2
383.09921	1.9
391.27075	0.8
413.10840	2.1
443.12042	2.8
449.14435	1.2
475.14587	88.5
476.14978	11.3
479.21536	0.7
503.13812	3.7
538.16565	1.9
539.16571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02543	0.1
54.76037	0.1
58.35768	0.1
59.01380	0.7
60.99305	0.2
61.98834	100.0
62.98533	0.3
69.43180	0.6
69.43611	0.8
71.01393	0.4
71.02489	0.2
72.00933	0.3
73.02958	0.2
74.02495	0.5
74.32716	0.1
83.01450	0.2
85.02969	0.3
88.98814	1.5
89.02454	0.3
101.02492	0.2
107.05045	0.3
113.02479	0.3
119.03602	0.1
122.54658	0.1
129.10368	1.7
132.05840	0.3
133.06606	1.1
134.06152	0.2
135.04558	0.2
139.08817	0.3
139.33537	0.1
140.07170	0.3
143.11903	0.1
145.02953	0.1
148.07730	0.4
150.09230	0.2
151.08797	0.2
155.08273	0.8
160.07744	0.4
161.02496	0.3
161.04688	0.2
161.06087	0.1
164.04832	0.1
177.05438	0.2
177.10255	0.1
179.03526	0.2
179.05608	0.3
179.08296	0.5
180.06425	0.1
187.10867	0.2
188.07257	0.4
192.09077	0.6
194.08217	0.5
204.06715	0.3
205.09856	1.0
221.09296	0.6
224.08069	0.7
224.17825	0.2
225.16171	0.2
231.16016	0.2
232.06233	0.2
242.18748	1.8
249.08664	1.0
263.17688	0.4
266.11447	8.0
267.11765	0.8
291.92911	0.1
300.02628	0.3
301.03220	0.4
302.03836	0.2
376.26297	0.2
414.24020	0.4
431.26636	1.1
432.27005	0.2
447.09930	0.2
448.09769	0.6
458.23169	0.3
475.25620	28.1
476.25906	4.9
506.19312	0.2
538.25122	0.5
538.33252	0.3
539.24091	0.2
539.33795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
60.99306	5.7
61.98844	3.8
69.43851	4.6
78.32319	0.5
78.95910	0.4
84.61249	0.4
92.25782	0.3
98.19837	0.8
113.61030	0.4
177.74623	0.4
363.26788	0.5
365.28442	0.7
379.30042	5.2
380.30429	0.7
407.29468	1.3
425.30679	1.2
439.32172	10.7
440.32620	2.1
447.45004	0.4
501.32239	100.0
502.24991	1.0
502.32559	20.8
537.29846	3.4
538.30066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77444	0.7
57.75475	0.8
59.01375	10.1
61.98515	1.1
61.98835	19.0
69.75932	5.6
71.01383	7.3
73.02944	1.2
85.02948	3.5
87.00886	0.9
89.02439	4.8
96.95988	1.1
98.20592	1.6
101.02451	3.9
108.02170	1.5
109.02216	1.3
109.02975	26.3
111.00917	4.0
113.02443	3.3
115.04033	2.1
116.92857	0.9
119.03490	2.4
121.02972	3.0
122.03772	1.2
123.00855	1.1
123.04515	1.6
131.07169	5.3
133.02963	4.0
135.04527	3.3
135.05620	0.9
136.01683	13.7
137.02422	1.5
145.02972	2.6
146.03801	3.8
147.04539	1.3
149.02460	1.5
150.03224	3.4
151.04033	14.1
152.04536	0.9
153.05595	3.0
158.03717	1.3
159.04543	1.7
160.05339	2.5
161.02458	10.1
161.04585	2.3
161.06078	3.7
161.08139	1.9
162.02844	0.7
165.05553	4.5
167.03500	1.8
171.04570	1.4
172.05333	3.3
173.05969	0.8
175.02621	1.3
175.03989	6.7
175.07675	0.9
176.04807	6.1
177.05508	1.6
179.03500	2.6
179.05643	1.2
189.05597	5.5
190.06380	5.1
191.07161	8.0
192.07535	0.9
193.04930	1.0
195.06630	1.4
223.07629	1.4
227.66922	0.8
239.07115	2.8
249.05623	1.4
250.06294	2.2
251.07118	3.3
261.05539	1.6
263.07117	0.9
266.05588	1.2
267.06607	45.8
268.06912	6.2
278.05856	1.1
279.06598	10.2
281.08157	0.8
282.08981	38.9
283.09375	4.2
293.08051	1.7
294.08917	6.9
297.11307	100.0
298.11719	12.0
309.11325	1.1
311.09531	0.9
312.10019	15.3
313.10370	2.0
315.12244	2.3
323.07791	2.9
327.12369	71.1
328.12708	9.9
345.13437	49.8
345.16684	0.9
346.13785	7.1
357.13440	12.5
358.13892	1.0
375.14487	75.5
376.14868	11.1
376.89209	0.8
537.16846	6.7
538.16980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Alboside IV
Peak:m/z	Relative Intensity
58.00593	0.3
59.01381	4.6
61.98838	2.0
71.01383	2.7
71.49212	0.5
72.99345	0.3
73.02977	0.3
75.00872	0.2
83.01391	0.4
85.02969	0.7
87.00883	0.4
89.02465	2.3
95.01427	0.3
98.20002	0.2
101.02423	1.3
104.02773	0.2
105.03488	0.5
107.05098	0.3
108.02193	0.8
109.02967	0.3
113.02457	1.0
115.01871	0.2
117.03513	2.2
119.03516	0.9
119.05090	0.6
121.03033	0.7
122.03761	0.4
123.04527	0.8
132.02211	2.1
133.02982	37.6
134.03708	2.4
135.04552	21.4
135.05632	0.4
136.04875	0.8
137.02469	0.8
145.02985	5.5
146.03725	1.0
147.04552	1.3
148.05327	0.7
149.02458	0.9
149.06096	2.5
150.03256	1.0
150.06490	0.3
152.06448	0.3
160.01688	0.9
161.02477	100.0
162.03047	8.3
163.04033	4.6
164.04781	0.3
165.05585	0.8
167.03523	0.2
175.04088	1.6
177.05588	5.8
178.02765	0.7
178.05882	0.3
179.03529	18.6
180.04196	1.7
193.05055	1.9
195.06662	1.7
203.03571	0.6
207.06676	0.3
221.04578	6.4
222.04900	0.6
233.04634	0.3
235.06143	1.3
251.05609	5.2
252.05885	0.6
265.07162	0.6
281.06683	8.9
282.07053	0.8
295.08295	0.8
323.07645	0.7
341.08783	3.9
343.10223	1.1
355.10480	0.4
357.13193	0.5
413.11020	0.5
519.15051	38.3
520.15430	7.2
537.16052	25.2
538.16473	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	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03440	1.6
58.00597	0.6
59.01384	50.0
60.01709	0.5
61.98842	4.3
69.55020	2.3
69.55450	1.5
71.01386	14.6
72.99318	1.1
73.02953	6.1
83.01400	4.9
85.02962	9.2
86.00098	1.1
87.00890	0.9
89.02487	2.0
95.01386	1.7
97.02948	0.6
98.19878	0.8
99.00903	1.9
101.02458	14.2
111.00898	1.0
113.02481	4.3
125.02509	0.6
129.01988	0.6
159.02962	0.5
161.04575	1.0
241.21710	1.3
269.21222	0.9
287.22156	2.5
288.22620	0.6
431.26544	19.3
432.26868	2.9
449.27567	50.4
450.27933	7.4
475.01767	0.5
491.28632	100.0
492.28983	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	535.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10401	0.4
58.06248	0.5
59.01373	0.4
60.99307	2.8
61.98837	3.0
66.90529	0.5
71.42986	1.0
85.41954	0.4
102.02621	0.5
110.76436	0.4
149.81429	0.4
278.73279	0.5
423.32834	2.4
424.32397	0.5
453.33743	2.6
455.32654	0.4
499.34280	100.0
500.34662	22.0
519.76050	0.5
535.33588	0.7
547.33307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.01713	0.4
61.98833	100.0
66.33740	0.2
71.71483	0.2
71.71910	0.5
78.95936	0.3
86.44931	0.2
96.96040	0.4
113.32961	0.2
152.99602	0.7
185.60068	0.3
204.90697	0.2
327.89404	0.3
375.44489	0.2
388.00058	0.2
469.25720	0.3
473.32831	1.2
474.33124	0.3
476.38541	0.9
501.32135	2.2
536.32861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44897	0.4
55.01882	0.4
57.03448	1.1
59.01383	13.6
60.99311	16.9
61.98827	4.4
65.00314	0.5
71.01390	9.3
71.71741	0.6
72.99311	1.8
73.02953	2.6
75.97965	0.4
83.01379	2.0
85.02964	4.2
87.00903	0.6
88.98817	100.0
89.02457	5.3
89.99164	1.1
93.03508	0.6
95.01415	1.1
97.02995	0.5
99.00912	1.4
101.02467	5.7
101.50018	0.4
107.01418	1.5
108.02187	0.5
109.02969	1.6
111.00901	1.0
113.02481	3.5
117.03455	0.7
119.03510	1.9
119.05041	0.8
121.02983	1.9
122.03828	0.7
123.04569	0.7
125.02467	1.3
129.01932	0.7
133.02991	1.3
134.03725	0.5
135.04567	1.2
137.02499	0.5
142.06631	1.7
143.03560	0.9
145.02977	3.4
146.03769	1.4
147.04520	2.6
148.01811	0.6
148.05327	0.9
148.26134	0.4
149.02434	2.3
149.04648	0.4
149.06079	0.7
149.09714	1.0
150.03217	2.1
151.00403	6.2
152.00630	0.5
159.03009	0.8
159.04530	1.2
160.01659	0.7
160.05322	1.7
161.02502	3.7
161.04576	3.1
161.06096	1.7
162.03238	1.0
162.06750	0.4
163.00371	1.9
163.04031	1.7
164.04767	0.9
165.02061	0.6
165.05595	0.8
167.03502	0.6
167.10818	0.8
173.06168	0.7
173.80974	0.5
175.04034	1.7
175.07655	1.7
176.04727	0.7
177.05605	2.1
178.99913	2.3
179.03539	1.0
179.07178	0.7
187.04048	0.7
187.13451	0.7
193.05095	0.8
199.07571	0.6
204.06589	3.0
209.06636	0.7
215.03662	0.4
216.04097	0.7
227.03531	1.5
229.04942	0.8
231.16005	10.0
243.03026	2.8
245.04549	0.9
254.02145	0.5
255.02985	9.9
256.03464	0.9
271.02472	17.2
272.02972	2.9
272.90521	0.4
273.03915	0.7
279.11423	1.0
283.02521	0.7
285.11301	0.6
290.95197	0.5
292.08524	1.1
297.11353	0.7
299.02103	0.7
300.02753	36.4
301.03503	28.8
302.03778	2.7
305.16013	5.1
307.10989	3.1
315.12424	0.7
329.14069	2.0
335.17145	0.8
344.47198	0.4
351.10001	1.0
357.26663	0.6
375.27643	1.6
447.09341	66.1
448.09625	8.3
465.27350	2.2
473.14401	0.8
477.19122	6.6
478.20450	0.6
489.19241	1.4
493.26498	0.7
506.19507	2.2
507.20288	6.0
508.20947	0.6
536.32013	0.8
537.32922	17.6
538.22058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	0.5
57.03452	8.5
59.01384	2.2
65.00341	1.7
67.01887	0.7
68.99827	1.5
69.03434	0.3
71.01399	1.2
71.72282	0.3
72.44576	0.3
72.99322	0.3
73.02979	0.2
75.00870	0.3
81.03485	1.4
83.01398	12.0
84.01714	0.3
85.02969	1.1
89.02462	0.5
95.01375	0.3
96.96017	0.3
97.02967	0.8
101.02464	0.8
105.03435	0.3
107.01407	3.2
109.02970	3.5
111.00909	0.8
113.02486	0.8
119.05051	0.3
119.80040	0.3
121.03017	0.5
123.04518	0.3
124.01662	0.3
125.02469	100.0
126.02812	3.5
132.02167	1.4
133.03000	0.7
134.03770	2.7
135.03017	0.3
135.04524	0.3
137.02480	0.8
139.04001	1.5
142.06638	3.9
143.07057	0.2
145.03036	0.3
149.02472	8.6
149.06227	0.4
150.02895	0.3
151.00395	13.3
152.00835	0.6
153.01964	56.2
154.02293	3.1
158.06158	0.6
160.01692	7.9
161.02478	1.4
163.04007	0.3
167.03560	1.4
169.01457	0.8
175.04024	9.0
176.04558	0.4
177.01950	0.8
178.02644	0.3
178.99902	2.0
179.03561	0.9
186.05658	1.6
191.03569	0.6
191.07213	0.3
193.05072	2.0
195.03119	0.6
204.06682	2.6
205.05013	0.4
205.07048	0.3
235.06087	0.8
246.07619	1.8
247.08221	0.3
253.66750	0.3
265.07175	0.6
295.08252	3.1
337.09302	4.5
338.09668	0.4
380.69977	0.3
437.62955	0.3
463.12466	11.1
464.12723	1.8
491.11819	1.6
517.10162	0.7
535.10858	1.6
535.31653	0.6
536.11426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
56.76545	0.2
57.03463	0.9
58.00614	0.3
59.01379	15.7
60.01729	0.3
61.98833	14.6
63.96235	0.2
71.01389	5.7
71.01753	0.4
71.72054	0.4
72.99330	0.6
73.02962	2.3
75.00883	0.6
76.94858	0.2
79.95779	0.3
81.03475	0.4
83.01392	1.6
85.02955	3.2
85.99296	0.2
87.00895	1.1
88.98829	0.6
89.02460	1.1
93.03497	0.4
95.01421	0.7
95.05088	0.2
97.02969	0.5
99.00880	1.1
99.04526	0.5
101.02458	5.2
105.03491	0.5
107.05089	0.2
109.02973	0.4
110.07850	0.2
111.00887	0.7
113.02452	2.0
116.92863	1.7
117.03477	8.6
118.03836	0.5
119.03558	0.5
119.05048	3.0
121.02960	0.4
122.03774	0.4
123.04546	0.5
125.02496	0.4
132.02196	1.4
133.02975	30.4
134.03421	1.1
135.04549	7.7
137.02461	0.8
139.07645	0.2
145.02975	30.8
146.03304	2.0
147.04526	0.3
148.05244	0.3
149.02522	0.4
150.03255	1.7
153.05511	0.3
160.01712	0.4
161.02463	100.0
162.02800	6.0
163.04039	3.1
164.04648	0.3
165.05574	2.2
167.03519	0.6
175.04073	0.4
179.03528	4.2
180.04047	0.3
189.05544	0.3
195.06670	1.2
225.15092	0.3
247.14592	0.4
277.21793	0.4
295.22934	0.3
309.07574	0.3
311.10223	0.2
324.10043	0.3
339.12173	0.6
352.54630	0.2
355.25037	0.4
372.93784	0.2
373.26083	0.3
385.19907	0.3
457.27985	0.9
475.28784	0.7
499.33023	1.4
500.33051	0.3
503.16583	0.4
518.10913	0.3
535.25037	87.9
535.31262	10.8
536.25378	17.1
536.31696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2549
Annotation	Paniculatumoside B
Peak:m/z	Relative Intensity
55.01885	0.2
58.00582	0.2
59.01381	4.1
61.00466	0.1
61.98833	5.5
71.00995	0.2
71.01388	3.5
71.71368	0.2
72.99317	0.3
73.02953	1.1
74.02487	0.2
74.18828	0.1
74.65445	0.1
75.00876	0.2
82.81197	0.1
83.01395	0.7
84.10025	0.1
85.02958	1.7
87.00890	0.3
88.98835	0.4
89.02460	1.4
93.03468	0.3
95.01416	0.3
97.42777	0.1
99.00897	0.7
101.02461	2.5
102.02766	0.2
109.03060	0.1
111.00902	0.3
113.02487	1.2
117.03488	25.4
118.03828	1.4
119.03606	0.4
119.05045	8.7
120.05396	0.5
121.02987	0.6
125.02457	0.3
129.01981	0.1
131.03543	0.2
133.02979	0.3
134.03786	0.4
135.04559	0.6
138.71478	0.1
143.85788	0.2
145.02979	100.0
146.03317	5.8
146.04503	0.2
147.04504	0.2
149.02502	0.2
150.03172	0.2
152.01169	0.5
160.01630	0.3
161.02481	1.0
161.04581	0.4
162.02258	0.2
163.04039	9.0
164.04414	0.5
167.03522	0.5
175.04016	0.4
179.03487	0.5
179.05382	0.2
193.05061	0.2
204.06416	0.2
205.05103	0.2
227.16425	0.2
289.13812	0.2
429.17200	0.3
503.17142	0.2
535.25311	61.8
536.25610	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	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
61.98832	100.0
62.98546	0.2
70.85814	0.2
70.86168	0.4
71.01388	1.0
72.47205	0.1
72.99318	0.2
73.02959	0.4
83.01408	0.4
85.02957	0.6
85.21053	0.1
87.00880	0.2
89.02462	0.3
95.01397	0.1
99.00873	0.1
101.02451	1.3
113.02457	0.4
130.08813	0.2
139.00433	0.2
140.01213	0.2
148.25919	0.1
166.99921	0.2
168.00642	0.2
175.63243	0.1
194.99370	0.4
229.04849	0.1
241.21756	0.2
287.22098	0.3
302.04288	0.4
331.46503	0.1
332.81421	0.1
396.25153	0.3
414.16095	0.2
431.26617	1.4
449.27548	3.5
491.28619	7.3
514.89209	0.2
534.32184	0.4
535.20081	0.4
535.33331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
61.98833	100.0
62.98527	0.2
69.28943	0.1
70.57686	0.4
78.62821	0.1
84.10554	0.1
125.02544	0.1
145.29810	0.1
152.99652	0.1
167.03473	0.2
179.61761	0.1
207.96115	0.1
316.09406	0.2
414.16650	0.3
435.59348	0.1
444.17145	0.1
459.00781	0.1
505.94174	0.1
534.31396	0.4
535.33783	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	533.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08849	0.8
57.03431	1.3
59.01382	15.5
60.99303	4.6
61.98833	74.7
69.42232	8.8
77.68817	0.8
78.95903	2.4
87.00886	2.6
110.98528	1.1
121.16102	0.8
151.11279	0.9
199.13420	1.5
237.15070	1.3
249.14932	1.8
250.15721	1.6
251.16508	1.8
263.16495	2.0
282.14578	1.3
305.21417	1.0
319.22775	48.1
320.23181	6.3
347.25635	1.2
357.24094	1.0
365.27039	6.8
372.26721	2.2
381.31543	2.8
383.29642	1.0
385.27487	24.8
386.27704	4.2
399.23737	1.2
399.29007	17.7
400.29642	8.3
401.30353	1.1
404.25604	2.3
415.28696	1.0
425.30670	14.1
426.30997	2.4
431.14566	1.0
432.28824	100.0
433.29169	16.4
443.28024	13.5
444.28302	2.9
445.29520	2.1
471.34857	7.0
473.35284	1.7
485.29144	1.0
487.30664	56.7
488.30969	8.5
489.28384	6.2
490.28986	1.2
503.30185	2.6
533.31134	47.0
534.31396	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	533.3118
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
51.18555	0.2
57.03444	0.8
58.00583	0.3
59.01382	11.2
60.99313	1.6
61.98833	26.4
69.03465	0.3
71.01391	2.9
71.05025	10.6
73.02947	1.1
83.01400	0.8
83.05029	0.4
85.02973	1.5
85.06582	0.4
87.00894	0.5
89.02443	0.7
93.03532	0.3
99.00879	0.3
101.02460	2.6
104.29276	0.3
111.00887	0.3
113.02498	1.3
121.06638	0.5
123.08167	1.0
135.04550	0.4
135.08200	0.5
139.07669	1.1
140.07933	0.3
142.06619	0.4
151.00352	0.4
153.09155	0.3
159.02962	0.2
161.04547	0.3
167.03516	0.3
172.53757	0.2
175.11310	0.3
181.08679	0.3
183.06635	0.9
184.06966	0.4
189.12886	2.2
204.06750	0.4
205.06937	0.3
215.07143	0.7
229.08691	0.6
230.58641	0.4
285.20749	0.6
286.02484	0.3
307.20688	0.3
309.22311	0.7
315.08740	0.4
321.22247	0.8
323.23846	1.8
337.25107	0.3
393.27975	9.2
394.28287	1.4
407.25879	0.4
409.31171	10.3
410.31479	1.7
411.29382	0.3
413.16037	0.5
423.29541	0.4
427.32230	3.2
428.32410	0.4
429.24869	3.4
430.25220	0.7
431.14389	0.2
443.17325	0.4
445.33463	0.5
447.21283	0.2
447.25980	9.0
448.26160	1.4
453.30173	1.3
471.31174	4.6
472.31491	1.0
489.26770	14.2
489.32559	1.9
490.27072	2.8
490.32538	0.3
495.29294	0.3
515.30151	0.3
533.31171	100.0
534.31537	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	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26271	0.6
54.21979	0.5
55.01884	2.9
57.03440	1.3
58.00586	0.9
59.01383	53.7
60.01712	0.9
61.98842	4.4
67.53378	0.5
71.01387	15.9
72.99312	1.3
73.02595	0.6
73.02961	7.3
83.01389	5.5
85.02965	11.5
86.00103	1.4
87.00888	1.2
89.02448	1.7
89.72130	0.5
95.01382	1.5
98.19900	1.0
99.00913	2.8
101.02459	16.3
111.00874	0.9
113.02467	5.7
116.97070	0.5
119.03527	0.6
125.02414	0.6
159.03021	0.8
161.04546	0.9
175.16615	0.6
176.84744	0.6
190.00687	0.5
267.19626	1.1
285.20657	3.9
319.12057	0.6
401.25339	1.6
429.24921	22.6
430.25455	3.1
447.25983	56.2
448.26355	9.1
471.25842	0.6
489.27051	100.0
490.27426	19.4
533.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03447	3.4
58.00599	0.9
59.01381	56.7
60.01701	0.7
61.80257	0.5
61.98830	13.2
70.10722	2.5
71.01383	17.3
72.99303	1.3
73.02950	7.3
83.01403	6.1
85.02953	9.9
86.00117	1.8
87.00870	1.2
89.02451	2.5
93.03445	1.2
93.84975	0.5
95.01392	1.4
97.02974	1.0
97.87771	0.6
99.00902	3.0
99.04545	0.8
101.02455	16.9
107.14101	0.6
108.31303	0.6
111.00911	0.8
113.02457	6.5
116.92902	0.5
119.03522	0.9
121.02978	0.6
125.02479	0.9
130.82220	0.5
159.02907	0.7
161.02487	0.6
161.04573	1.0
203.14493	0.7
221.15504	2.7
221.19005	0.7
227.07115	0.5
247.10574	0.5
267.19614	2.1
285.20685	3.6
371.24405	1.6
401.25180	1.1
429.24930	22.2
430.25250	2.6
447.25983	54.0
448.26297	7.5
471.25919	0.8
489.27048	100.0
490.27347	17.6
533.31464	4.0
534.31750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00577	0.3
59.01379	9.5
60.01717	0.2
61.98832	54.4
71.01389	5.5
72.99312	0.9
73.02966	0.9
75.00880	1.1
78.11585	0.2
83.01387	0.5
85.02955	2.8
87.00901	0.7
88.98831	0.4
89.02465	2.6
93.03472	0.7
95.01408	0.5
98.19800	0.5
99.00908	0.9
99.04530	0.9
101.02445	3.0
103.36732	0.2
103.88203	0.2
105.01971	0.2
105.03500	0.5
108.17526	0.2
109.02951	0.3
111.00884	0.3
113.02465	3.0
114.90981	0.2
115.02063	0.2
117.01983	0.2
117.03489	1.5
119.03502	0.9
119.05040	0.7
121.02966	0.2
123.04574	0.5
125.02446	0.7
132.02213	1.5
133.02974	33.2
134.03442	1.1
135.04539	13.1
136.04858	0.4
137.02477	1.6
139.04041	0.2
145.02979	1.7
146.03281	0.2
148.05315	1.0
149.06012	0.9
152.81030	0.3
160.01668	0.4
161.02463	100.0
161.13326	0.3
162.02797	5.8
163.04013	0.6
163.07649	1.0
164.08043	0.6
165.05573	0.4
167.03561	0.3
175.03995	0.5
177.05582	3.2
178.02817	0.3
179.03511	12.6
180.03802	0.7
197.11876	0.9
209.17538	0.2
221.04576	4.5
222.04561	0.2
231.79980	0.2
249.06055	0.7
251.05594	1.6
267.07169	1.0
274.09985	0.3
281.06683	3.1
282.07141	0.3
283.19125	0.7
302.11392	0.3
324.26324	0.2
341.08691	0.3
473.27441	0.4
491.28448	0.3
533.23828	81.5
534.24213	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	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64110	0.2
54.01144	0.2
54.42995	0.2
55.01874	0.8
57.03446	1.5
58.00594	4.4
59.01379	86.3
60.01712	1.6
60.99294	0.3
61.96466	0.2
61.98823	0.8
64.56399	0.2
69.03432	0.2
69.48255	1.9
70.82133	0.2
71.01385	66.8
72.01722	1.3
72.99310	5.1
73.02956	2.0
75.00869	0.6
83.01394	2.2
84.02208	0.3
85.02957	10.9
86.03316	0.2
87.00888	4.0
88.98808	0.7
89.02453	100.0
90.02767	1.7
91.01907	0.2
93.03461	0.2
95.01400	4.1
97.02986	0.5
98.20688	0.3
99.00900	0.6
99.04534	0.2
101.02456	30.0
102.02805	0.7
103.04046	0.3
107.03489	0.2
111.00873	0.4
113.02464	25.0
114.02807	0.8
115.04024	0.2
119.03518	31.9
120.03891	0.9
121.02970	1.0
125.02481	1.0
129.01976	0.8
131.03516	3.8
135.04524	0.6
143.03522	7.0
147.00883	0.2
147.04506	0.3
147.06631	0.2
149.02475	2.8
149.04561	3.5
150.03055	0.2
161.02415	0.5
161.04570	7.6
162.04892	0.4
163.04051	0.3
164.04807	2.8
165.05544	0.5
165.07704	0.7
173.00894	0.4
175.00359	2.5
175.03928	0.2
176.00883	0.3
179.05629	21.5
180.05988	1.0
180.48909	0.2
190.02731	7.8
191.03271	0.8
193.04991	0.2
205.05064	7.6
206.05598	0.6
207.06439	0.2
208.03918	0.3
216.07835	0.2
221.08173	0.6
223.06142	5.6
224.06488	0.3
265.07089	1.5
290.80310	0.2
325.08978	0.2
327.12903	0.3
353.19635	0.2
411.26334	0.3
429.67010	0.2
533.18658	10.1
534.18933	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	531.3689
Annotation	Pouogenin A
Peak:m/z	Relative Intensity
59.01384	7.8
61.98833	21.1
68.95613	2.1
69.65360	1.7
71.42844	4.4
80.28223	1.8
102.63039	2.1
294.09961	2.3
356.31183	2.0
367.26410	2.7
471.34790	100.0
472.35236	21.4
531.33282	26.8
532.33466	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	531.3687
Annotation	Pouogenin A
Peak:m/z	Relative Intensity
59.01387	17.3
61.35868	2.5
61.98836	52.4
71.04902	2.8
71.05245	5.7
76.24419	2.8
78.95922	6.3
196.89542	5.6
209.28465	2.8
369.24426	8.2
471.34802	100.0
472.35248	26.4
480.88843	3.2
531.30457	18.4
532.31287	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	532.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17006	0.1
59.01377	1.2
61.98833	100.0
62.98523	0.2
71.01405	0.1
71.05006	0.1
71.70929	0.2
85.02966	0.1
89.11597	0.1
101.02476	0.1
103.93018	0.1
106.36913	0.1
113.02489	0.1
136.73161	0.1
146.49185	0.1
270.89529	0.1
453.85272	0.1
532.29504	0.6
533.30725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.7
61.98830	5.0
65.00329	0.8
70.93441	0.5
71.01382	5.3
71.71147	0.8
71.71481	0.8
73.02950	1.4
74.99084	0.5
83.01397	1.5
85.02962	2.8
86.60333	0.6
89.02445	3.0
93.03458	1.0
101.02438	3.5
107.01386	1.9
109.02990	0.7
113.02459	2.8
119.03519	1.2
132.02237	1.5
135.00894	1.4
135.04466	0.8
137.02434	0.8
143.03471	0.7
145.03052	0.7
151.00380	2.3
159.04529	1.3
161.02431	1.6
161.04556	2.4
161.05775	0.6
163.00420	2.0
164.01070	0.5
164.59499	0.6
177.02037	0.7
178.99881	0.7
179.05695	0.7
183.04495	0.9
185.06081	1.3
187.04060	3.2
189.05618	1.0
195.04539	0.7
197.06213	0.7
199.04062	0.7
200.04823	1.0
201.05585	1.1
211.04018	2.4
213.05609	1.9
218.67014	0.7
227.03506	26.4
228.03996	2.1
229.05061	9.8
230.05501	0.9
239.03497	1.8
241.05000	1.6
255.02977	61.6
256.03455	8.4
257.04572	5.8
267.02945	0.7
283.02478	1.0
284.03256	80.9
285.04016	100.0
286.04373	10.0
326.31866	0.6
341.10278	1.0
353.10294	2.6
371.11453	0.8
371.20804	1.9
408.01395	0.6
489.10379	54.6
490.10718	10.9
533.17346	0.7
533.25177	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	531.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58106	0.5
57.03455	0.9
58.00593	0.7
59.01384	50.1
60.01713	0.8
61.98837	14.9
67.01900	0.5
69.03465	1.6
69.41142	0.5
69.51983	4.4
71.01389	4.8
71.05042	0.6
72.99339	0.5
73.02963	0.7
79.27876	0.5
83.05042	1.5
85.02953	2.5
89.02465	2.4
95.01447	0.8
97.02974	5.8
97.06595	0.6
98.19815	1.0
101.02470	3.4
109.02971	0.8
109.06621	0.7
111.08181	6.0
113.02473	4.5
119.03564	1.0
119.08666	0.6
125.09743	0.8
137.09750	1.6
153.12875	0.5
161.04578	1.5
163.11319	1.0
165.12843	2.5
169.12445	1.3
171.10315	2.7
181.12390	0.8
191.14471	0.8
197.11859	13.9
198.12218	0.8
199.13411	1.0
203.10803	0.6
209.11942	1.3
211.13428	2.8
212.13718	0.6
223.13417	0.6
227.12941	1.1
247.20729	2.1
273.18613	1.4
273.31018	0.5
285.76074	0.6
291.19699	18.2
291.22980	1.0
292.20056	2.3
305.21225	0.8
309.20737	100.0
310.21100	12.4
312.13599	1.6
327.16006	2.3
333.20795	4.3
345.20822	1.3
351.21915	1.2
385.40601	0.6
513.29419	0.6
531.16125	1.3
531.29889	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	531.3325
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
51.23005	0.2
56.80856	0.1
59.01379	1.4
61.98833	24.2
63.27290	0.2
69.59230	1.4
69.84595	0.1
193.28706	0.1
221.34341	0.2
224.69095	0.1
314.26917	0.1
347.72430	0.2
351.27170	0.2
364.96313	0.2
365.28378	0.9
367.30127	0.3
395.29254	0.4
396.30075	0.2
401.10931	0.2
407.29514	0.2
531.33246	100.0
532.33606	19.5
532.42096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58750	0.1
52.63106	0.1
57.16104	0.1
59.01381	2.3
60.01708	0.1
61.01805	0.1
61.62363	0.1
61.98833	100.0
62.98553	0.1
69.69968	0.2
69.70382	0.4
71.01390	0.2
73.02953	0.1
79.83764	0.1
85.02989	0.2
90.99356	0.1
97.43141	0.1
101.02484	0.2
161.61235	0.1
253.09273	0.4
254.09839	0.1
293.21149	0.6
294.21545	1.1
530.32629	0.2
531.33740	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	530.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05581	0.4
59.01381	3.2
61.98834	6.3
71.01394	3.3
72.01741	0.5
72.99318	1.6
75.00880	3.0
78.95914	18.7
80.16732	0.4
80.95986	0.5
85.02964	4.0
85.38438	0.4
86.03312	0.4
87.00881	0.9
88.98831	1.7
89.02463	0.8
95.01385	0.6
99.00896	1.5
99.41484	0.4
113.02455	5.4
113.08372	0.4
114.02783	0.8
117.01995	0.6
132.33463	0.4
134.87280	0.4
135.33670	0.4
138.56152	0.4
140.18108	0.4
152.99599	3.4
153.97626	0.5
168.04314	2.8
189.43849	0.4
205.07141	0.6
212.18027	0.5
224.06943	8.3
242.07986	1.4
249.06227	1.1
255.23288	100.0
256.23611	10.7
267.07294	1.3
279.23325	5.1
280.23676	9.4
281.24011	0.6
308.01807	0.4
469.33212	1.6
470.33405	0.6
480.30963	77.3
481.31345	12.4
512.29083	0.7
530.30432	21.9
531.30792	3.2
548.16486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.353
Annotation	Rubianol b
Peak:m/z	Relative Intensity
55.93246	0.7
56.35162	0.7
59.01381	100.0
59.32129	0.9
60.01711	1.5
61.98840	10.9
71.71709	1.5
87.42856	0.8
107.51582	0.7
124.28060	0.9
128.08865	0.8
196.63864	0.8
196.65619	0.8
469.33078	3.0
471.34756	1.7
483.31219	1.9
529.30786	10.3
529.35132	5.2
530.32635	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	530.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92726	0.4
59.01378	3.5
59.70320	0.3
60.99318	0.5
61.98832	100.0
69.60062	0.7
69.60460	1.6
76.41185	0.3
76.59907	0.3
78.95916	5.0
96.96991	0.9
98.19934	0.7
103.82339	0.3
105.41966	0.4
138.98080	0.5
172.62392	0.3
241.01315	0.4
369.22382	0.3
470.34149	0.5
471.34674	0.6
500.31152	0.7
529.35956	1.5
530.32336	2.9
530.35339	2.2
531.27167	0.8
531.33374	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	529.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15454	5.0
56.13491	4.8
59.01384	21.7
61.98831	19.1
64.70703	4.8
65.70962	5.0
69.62958	14.8
69.63388	25.6
89.37213	5.1
94.91996	5.0
97.92596	5.4
98.08672	4.8
98.20623	9.2
102.02729	4.5
106.13765	4.5
152.49583	5.1
435.28970	6.3
439.88763	6.2
469.33264	100.0
470.33597	16.8
472.83124	6.8
485.32581	18.0
529.31537	99.6
530.32092	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54758	2.5
59.01382	43.1
60.99304	4.9
61.98834	11.9
68.51981	2.6
71.71426	3.6
73.95244	2.6
74.75187	2.4
143.80078	3.1
163.94275	2.7
189.09290	4.6
219.14012	5.4
249.74345	3.1
280.88895	3.1
293.21243	3.4
469.33310	100.0
470.33759	22.2
529.31433	59.6
530.31873	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	529.3169
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
59.01374	0.2
60.99303	0.3
61.98844	0.6
65.33271	0.1
67.35641	0.1
69.53543	0.3
69.53962	0.6
71.38669	0.1
125.31554	0.1
247.36650	0.1
249.19980	0.1
295.20743	0.3
391.30212	0.3
405.27795	0.2
407.29501	0.4
409.31076	0.3
417.27972	0.2
435.28970	0.5
436.29459	0.2
439.28275	0.2
453.30063	0.4
467.31412	0.2
475.56497	0.1
483.24149	0.2
483.31146	3.0
484.31250	0.7
485.32724	11.1
486.33115	2.7
529.31665	100.0
530.32019	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	529.3169
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
59.01386	1.2
60.99294	0.3
61.98823	0.5
71.41788	0.3
71.77055	0.1
81.03422	0.2
83.05058	0.2
93.68327	0.1
119.32737	0.1
123.08095	0.2
135.08165	0.3
249.69682	0.2
377.28760	0.2
379.26315	0.4
387.25446	0.2
388.25339	0.2
391.26086	0.3
393.27988	0.5
405.28085	0.6
407.25858	0.2
411.32968	0.2
421.27213	0.3
455.31696	0.3
471.31372	0.2
485.32565	0.8
529.31683	100.0
530.32019	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	529.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16593	0.3
57.03440	0.8
58.00602	0.5
59.01383	10.5
60.66165	0.3
61.98835	6.0
70.54934	0.6
70.55304	0.6
71.01389	8.0
72.99312	1.8
73.02951	0.6
83.01395	2.9
85.02959	1.7
87.00894	1.2
89.02455	7.5
99.00902	4.0
100.01680	1.5
101.02467	3.8
111.00895	5.5
113.02471	2.9
113.99612	17.5
115.00405	7.0
119.03521	2.9
125.02437	0.4
128.01189	1.9
129.39296	0.3
139.00395	1.1
147.04538	0.8
149.04694	0.3
156.00677	30.8
157.01344	1.7
161.02461	1.0
161.04587	0.7
165.05602	1.4
174.01724	100.0
175.02197	4.8
179.05649	1.3
179.57756	0.3
204.06651	0.4
230.41689	0.3
231.13873	0.8
287.16541	1.8
323.12598	1.0
409.74051	0.4
411.19916	0.4
429.21487	1.3
467.23273	0.6
469.20804	5.9
470.21045	1.2
493.20865	0.5
511.21893	1.1
512.21265	0.3
529.22028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3375
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	1.2
61.98842	0.8
71.09689	0.4
71.09993	0.2
84.22811	0.2
133.37546	0.2
156.94858	0.2
166.61908	0.2
192.40865	0.2
226.90807	0.2
231.23109	0.3
423.32697	45.7
424.33008	9.3
455.98843	0.2
467.31696	5.1
468.32101	1.1
524.63562	0.3
527.33820	21.4
528.34094	4.3
551.85980	0.3
553.19678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37418	0.5
55.01870	0.8
57.03450	0.8
59.01383	32.1
61.98832	100.0
63.99244	0.5
67.17920	0.5
69.03480	0.5
70.59075	1.4
71.01390	9.2
72.99332	0.7
73.02947	3.2
83.00166	0.4
83.01402	1.8
83.05038	0.5
85.02953	5.0
87.00892	1.0
88.04065	0.5
88.98812	0.6
89.02459	3.3
95.01395	1.0
95.08945	0.5
99.00892	1.4
101.02462	9.0
101.89735	0.4
102.15728	0.4
111.00890	1.3
112.04073	3.9
113.02458	5.2
123.04541	0.9
125.02462	1.0
133.02954	0.8
135.04599	1.0
137.02422	0.6
151.00407	0.7
153.01909	0.5
153.05597	1.0
159.03145	0.4
160.01709	0.7
161.02457	2.6
161.04561	1.9
162.02875	0.5
165.05568	1.0
166.51009	0.4
167.03534	0.6
175.04007	1.1
181.05168	0.4
190.02621	0.4
193.05086	0.5
303.04050	0.5
337.09317	0.7
405.25024	1.3
410.42020	0.5
447.25989	1.7
465.27045	88.3
466.27441	14.2
492.15823	0.9
528.21686	2.1
529.23083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24108	0.7
57.03446	2.8
58.00593	0.8
59.01383	13.9
61.98841	1.3
69.03446	1.4
69.54449	5.4
71.01386	19.1
72.99319	4.3
73.02945	1.6
75.00882	16.9
83.01405	1.0
84.41051	0.7
85.02960	22.0
86.09364	0.7
87.00892	5.0
89.02442	4.3
95.01408	5.8
99.00906	9.0
103.00392	2.2
113.02469	28.3
115.00379	2.3
115.81473	0.7
117.01934	2.0
128.41350	0.7
129.01965	1.8
143.50798	0.8
152.45331	0.7
175.02567	3.8
205.07172	2.1
223.08324	1.0
249.06116	7.0
267.07199	8.2
277.21719	50.9
278.22073	5.2
444.53806	0.8
509.27634	3.1
510.28082	1.0
527.28589	100.0
528.28845	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	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03451	0.3
59.01381	100.0
60.01719	1.0
61.98829	0.5
69.03484	0.2
70.27417	0.5
71.01389	4.8
73.02952	1.6
77.96267	0.1
83.01399	0.6
84.66536	0.1
85.02958	2.3
85.03436	0.2
87.00895	0.3
89.02475	0.4
95.01416	0.4
97.02990	0.2
99.00903	0.7
101.02469	3.5
111.08205	0.1
113.02462	2.3
143.03531	0.4
159.03038	0.7
159.46291	0.1
161.04584	5.0
162.04967	0.2
205.03754	0.2
235.72456	0.1
253.09300	0.4
266.07135	0.1
291.19684	1.4
308.20789	0.1
467.30151	8.7
468.30389	1.6
511.29700	0.3
527.32434	1.8
528.32593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
57.03453	2.2
58.00607	0.7
59.01381	12.6
61.98828	1.7
67.01893	1.0
68.99823	1.3
69.03466	0.8
71.01389	16.0
71.71636	0.5
72.01727	0.4
72.14165	0.3
72.99315	5.8
73.02965	1.3
75.00880	18.0
77.16125	0.3
81.03493	0.4
83.01402	0.7
84.02187	0.4
85.02961	18.8
86.03278	0.5
86.18289	0.3
87.00889	7.0
89.02460	3.6
93.03454	0.6
95.01402	4.8
95.70995	0.3
99.00893	9.1
101.02454	0.7
103.00397	2.1
111.00932	0.5
113.02467	23.2
114.02822	0.8
115.00382	1.8
117.01963	2.7
129.01971	1.5
139.00378	0.4
141.35307	0.3
157.01466	0.9
164.30995	0.4
175.02449	4.0
205.07167	1.1
231.05032	2.7
249.06149	19.0
250.06535	1.0
259.20605	0.7
267.07193	3.5
277.21732	64.1
278.22104	7.8
299.34158	0.4
438.25116	0.3
467.26144	0.8
483.31161	0.4
504.05521	0.4
509.27499	2.4
510.27545	0.5
527.28558	100.0
528.28876	18.1
528.36951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	2.2
59.01380	1.9
61.98828	3.0
69.57290	1.8
69.57721	1.4
70.02983	10.8
71.01371	1.4
71.02484	0.7
72.00916	0.5
73.02946	0.4
73.04090	1.8
75.00877	2.7
78.20666	0.3
79.15112	0.3
80.96519	0.3
85.02959	0.4
87.05651	5.5
95.02518	2.2
96.00924	6.2
99.02022	0.6
101.02457	0.7
109.04075	0.5
110.02506	2.4
110.03591	0.9
111.00897	0.4
111.02014	1.1
111.05646	0.8
112.04082	0.8
113.02430	0.8
113.03589	9.4
114.01987	22.0
115.02312	0.4
119.05096	0.5
126.06718	3.0
126.09235	0.5
127.05123	1.1
129.06721	7.6
129.10359	8.9
130.08713	0.4
131.04649	17.2
133.02950	0.6
135.04517	0.4
139.08786	1.5
140.07175	1.0
141.10307	0.4
144.07811	12.7
146.08226	0.3
147.04486	0.4
149.07222	0.5
151.00394	0.7
151.08768	1.3
155.08325	1.7
161.02429	1.2
161.04588	0.5
163.55078	0.3
165.05612	0.5
167.05762	0.8
167.10654	1.0
168.07802	6.6
168.11449	0.7
169.08498	0.3
169.09805	1.8
175.04060	0.4
178.11162	0.9
178.99878	0.4
185.11711	0.6
186.08847	13.8
187.09171	0.9
196.14526	1.4
197.16528	1.2
200.14099	0.8
207.15042	13.2
208.15405	0.9
211.09665	0.6
212.14038	0.4
214.15555	0.9
224.12885	0.6
224.17682	7.8
225.16055	0.9
225.18024	0.7
226.12001	1.0
238.15547	1.1
239.15213	0.4
242.18745	15.3
243.03078	0.4
243.18991	1.3
244.03337	0.4
244.13005	0.8
244.73282	0.4
254.15065	0.5
255.02914	1.0
256.03278	1.2
256.16653	0.4
264.17096	0.5
268.16586	2.1
271.02521	1.2
272.02866	2.4
281.16617	0.4
281.19821	7.4
282.20135	0.9
299.17642	0.6
299.20901	6.3
300.02765	2.9
300.21149	0.6
301.03162	6.1
302.03809	3.2
352.23486	1.9
367.23453	0.8
370.24600	4.1
394.24673	1.1
412.25677	26.9
413.26016	3.0
464.09222	9.3
465.09357	1.1
483.29498	0.9
509.27338	5.0
510.27579	0.8
527.28320	100.0
528.28595	16.1
554.17932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36124	0.2
57.03453	0.2
59.01384	2.9
60.99310	14.2
61.79840	0.2
61.98834	8.3
66.61120	0.2
71.01399	1.4
72.99289	0.3
73.02951	0.4
83.01404	0.4
85.02969	0.9
85.85212	0.2
87.00857	0.2
87.04533	0.2
88.98817	100.0
89.02448	0.8
89.99146	1.4
93.03479	0.7
95.01366	0.3
97.02969	0.3
99.00919	0.2
99.04514	0.2
101.02453	0.6
111.00864	0.3
112.04071	0.4
113.02439	0.5
116.70486	0.2
119.05054	0.7
121.02935	0.2
123.04532	0.8
124.01663	0.4
125.02459	1.0
133.02974	0.6
134.03755	0.2
135.04559	0.5
137.02480	0.7
148.05464	0.2
149.02426	0.2
150.03334	0.2
151.00421	0.4
151.03920	0.2
153.01865	0.3
158.06165	0.2
160.01674	0.3
161.02481	2.0
161.04704	0.2
163.04045	0.6
165.05565	0.4
167.03490	1.8
175.03943	0.3
179.03522	0.5
187.07605	0.4
197.11829	0.3
204.06659	0.6
205.07008	0.7
228.06674	0.2
230.19734	0.2
244.06892	0.2
257.08182	0.4
257.13007	0.4
273.07654	2.8
274.08136	0.4
300.02805	0.5
301.03619	0.5
301.12006	0.5
363.17093	0.2
375.63065	0.2
435.13126	0.6
450.16327	0.2
463.08896	0.8
465.23865	0.2
481.17114	0.3
525.20172	2.1
525.29712	0.3
525.92914	0.2
526.19177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
60.99309	12.6
61.98835	7.8
66.38851	0.3
71.01392	1.2
72.99296	0.4
73.02945	0.8
81.03501	0.2
83.01405	0.7
85.02946	0.8
87.00889	0.3
88.98817	100.0
89.02456	0.6
89.99156	1.0
93.03468	1.0
95.01347	0.3
99.00904	0.3
101.02448	0.9
111.00869	0.2
112.04078	0.3
113.02466	0.6
116.92779	0.3
119.05065	0.6
121.02948	0.3
123.04527	0.7
125.02460	0.7
133.02986	0.6
135.04538	0.7
137.02446	1.0
153.01997	0.3
157.73642	0.2
161.02448	1.9
161.04576	0.5
163.04031	0.7
165.05568	0.6
167.03531	2.5
175.03967	0.4
179.03505	0.8
187.07709	0.4
197.11827	0.6
204.06686	0.8
205.06944	0.5
229.08855	0.3
257.08124	0.3
257.13040	0.4
273.07657	2.7
274.08044	0.5
283.07449	0.3
300.02762	0.4
301.03345	0.3
315.38770	0.2
363.16516	0.4
428.13428	0.4
435.13144	0.5
443.63409	0.3
450.17035	0.3
463.08585	0.4
463.25732	0.4
493.17819	0.7
525.19342	2.0
526.18488	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	526.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48641	0.5
55.13070	0.6
59.01386	0.8
61.98835	11.1
71.31264	1.5
71.38290	0.5
81.25357	0.5
88.20213	0.7
107.01401	1.3
108.02213	1.2
109.02931	0.8
114.01948	0.6
121.02967	1.2
125.15650	0.6
129.10385	0.7
131.04654	0.7
134.03703	0.7
151.00404	7.5
163.00354	2.0
178.99867	4.9
199.61037	0.6
226.02774	1.7
227.03513	1.6
243.02936	6.5
244.03465	1.0
245.04439	1.1
254.02269	1.4
255.02963	16.4
256.03375	1.4
271.02472	41.0
272.02914	4.9
273.03952	1.0
283.02527	1.2
299.01929	0.8
300.02765	76.6
301.03497	39.0
302.03845	3.2
333.73157	0.7
335.46078	0.6
337.50064	0.7
412.25650	0.8
416.54263	0.6
463.08804	100.0
464.09125	15.1
493.18640	1.0
527.18951	0.7
527.28302	3.9
527.95673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98832	100.0
62.98535	0.3
69.62958	1.3
71.01400	0.5
75.00894	0.2
85.02977	0.3
88.94780	0.1
89.02477	0.2
101.02476	0.5
104.01392	0.1
104.41283	0.2
112.64527	0.1
113.02480	0.4
133.02914	0.2
139.00380	0.1
144.11130	0.1
151.04012	0.2
161.02493	0.4
168.00688	0.2
182.67633	0.2
183.62431	0.1
218.63318	0.1
219.75351	0.2
232.01340	0.1
235.06512	0.1
282.10913	0.1
377.37503	0.1
411.11121	0.1
465.22522	0.2
466.22427	0.7
467.22513	0.2
526.20929	0.2
527.19391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
60.01711	0.1
61.98835	100.0
62.98537	0.3
64.73105	0.1
71.01392	0.6
71.02824	0.2
71.03155	0.2
72.99323	0.2
73.02952	0.2
85.02966	0.3
89.02479	0.3
95.01363	0.2
101.02487	0.3
108.04588	0.2
110.06145	0.1
113.02486	0.3
122.06139	0.2
133.03000	0.2
135.04575	0.2
136.07849	0.1
145.02959	0.1
160.01614	0.1
161.02493	0.3
165.05646	0.2
171.05373	0.1
180.06725	0.4
239.11945	0.3
251.12483	0.1
265.09702	0.2
267.11630	0.2
279.07855	0.2
279.11008	0.1
288.22638	0.2
293.09393	0.4
294.01544	0.2
307.10910	0.4
308.11798	0.6
321.15454	0.2
340.10995	0.2
428.13394	0.4
430.17972	0.5
448.18933	0.6
456.50589	0.1
492.17743	0.7
493.18060	0.3
524.20203	1.9
525.20575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01864	2.1
57.03424	0.9
58.00586	1.0
59.01381	27.1
61.98815	1.6
68.32288	0.7
68.99800	0.8
69.03433	0.7
71.00988	1.1
71.01385	20.8
71.71742	1.4
72.99302	2.9
73.02951	5.4
75.00857	1.2
83.01389	4.1
85.02960	10.7
87.00887	1.5
88.98826	4.5
89.02463	6.3
90.64764	0.6
93.03464	1.2
95.01387	2.2
97.02917	0.9
99.00877	2.2
101.02453	15.7
108.02171	1.9
109.02963	3.4
109.03623	0.7
111.00877	1.1
113.02452	6.7
119.03491	2.0
119.05038	1.5
120.49931	0.7
121.02966	7.9
122.03769	9.0
123.00889	0.8
123.04589	3.4
124.01632	0.7
133.02985	1.3
134.03781	0.8
135.04514	2.5
136.01637	0.8
136.05286	1.2
137.02444	2.3
143.03561	0.9
146.03648	1.0
147.04536	8.4
148.05272	0.7
149.06071	1.1
154.02747	1.2
159.02930	1.0
161.02411	2.4
161.04565	2.2
161.06070	1.8
162.06764	0.6
164.04773	1.1
165.05588	28.4
166.05901	0.9
179.07109	5.7
189.05537	1.7
191.07085	1.1
193.07137	2.5
193.08734	0.9
204.06609	2.0
209.11786	1.8
228.09052	0.8
260.18170	0.7
261.06128	3.0
261.13306	1.4
299.12741	0.8
301.20163	1.8
313.14337	2.3
315.12222	1.4
328.13104	2.0
329.12631	2.4
343.15640	3.9
346.14261	7.7
347.14685	2.3
361.16559	66.2
362.16916	10.0
463.25668	9.5
464.25626	1.6
479.24725	1.2
479.87024	0.8
481.26639	4.5
482.26651	0.9
492.18100	1.2
523.21570	100.0
523.27808	10.2
524.21936	18.3
524.28571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09524	0.1
57.03443	0.2
59.01381	8.8
61.85829	0.2
61.98833	11.5
63.44006	0.2
63.99250	0.5
68.99860	0.2
69.03449	0.2
71.01386	2.8
71.72077	0.2
72.99314	4.6
73.02959	0.8
75.00872	0.6
78.95894	0.2
83.01392	0.4
85.02962	1.2
87.00874	0.3
87.04523	0.2
88.98806	0.4
89.02438	0.9
93.03452	0.3
93.69288	0.2
95.01426	0.4
99.00895	1.7
101.02465	2.0
111.00919	0.3
113.02473	1.2
113.25272	0.2
116.05083	7.1
117.05404	0.3
119.03499	0.3
123.04552	0.4
125.02496	0.4
125.48647	0.2
128.05095	3.1
130.06648	5.2
131.07005	0.4
132.04585	1.0
133.02975	0.6
134.03728	0.2
135.04504	0.5
137.02429	0.4
139.03978	0.2
142.06645	10.4
143.06973	0.5
144.04562	0.9
150.03180	0.2
153.02020	0.2
157.05405	0.3
158.06133	22.3
159.06467	1.2
160.01747	0.3
161.02498	2.1
161.04536	1.0
162.02898	0.2
163.04015	0.4
164.80811	0.2
165.05563	0.3
166.06651	1.0
167.03534	0.3
172.04092	1.0
175.00249	0.2
175.04099	0.4
179.03398	0.4
184.07718	2.9
185.07994	0.3
186.05624	9.2
187.05980	0.5
187.07655	1.1
189.05598	0.2
204.06670	100.0
205.07002	7.8
206.79381	0.2
213.09216	0.2
215.07114	0.2
228.06673	12.6
229.06944	1.0
231.06656	0.4
251.11354	1.5
257.08237	0.6
293.12418	2.3
308.11685	0.2
319.10388	2.5
323.07773	0.2
344.08701	0.3
363.16144	0.2
448.18872	0.4
461.23492	0.3
479.90637	0.2
481.17029	1.5
492.17676	0.6
493.17822	0.2
523.34552	0.8
524.17255	1.5
524.35199	0.5
525.18890	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	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.76246	0.5
59.01375	2.0
69.41417	1.6
69.41843	3.2
71.01376	1.7
73.02946	0.5
85.02953	0.7
93.03473	1.3
94.59743	0.4
99.00912	0.5
101.02470	0.6
109.02971	4.2
112.18384	0.5
115.78257	0.5
121.02966	10.5
122.03779	8.9
123.04496	1.4
124.01760	0.6
129.03502	0.5
134.03717	0.7
135.04510	1.7
136.05301	1.1
137.02434	1.8
146.03709	1.0
147.04544	6.7
149.06148	1.2
154.02704	1.0
160.05231	0.5
161.04674	0.5
161.06070	2.0
163.04030	0.9
164.04832	0.5
165.05591	23.2
165.93924	0.5
166.05914	1.1
175.07735	0.7
178.06441	0.7
179.07152	6.5
180.07870	1.4
188.07310	0.6
191.07210	1.0
207.06621	1.1
209.08188	1.1
223.09657	1.1
285.11029	0.6
285.30054	0.6
298.12164	0.7
313.14587	1.0
315.12210	2.3
316.13007	0.9
330.14307	0.6
331.15085	1.3
343.15625	0.6
346.14191	8.9
347.14615	1.5
358.16043	0.5
361.16565	100.0
362.16922	14.6
523.27942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1767
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
50.04076	1.3
54.54867	1.0
54.56538	1.1
58.27695	1.1
60.83044	1.1
61.08071	1.0
61.98830	17.6
70.98399	2.2
70.98775	2.2
71.01360	1.6
78.95909	76.1
81.52032	0.9
90.28500	1.0
99.92593	16.4
100.92625	1.2
110.98549	12.3
115.91285	2.1
115.92093	27.5
116.92101	1.7
116.92867	14.7
125.26453	1.1
150.98108	1.6
152.99605	2.6
155.95222	2.2
164.99547	1.6
178.88463	5.0
179.89232	38.6
180.90100	11.5
181.90823	3.4
193.90791	43.1
194.88005	1.5
194.91618	20.8
195.91798	1.1
196.89507	54.6
197.89485	2.4
219.92126	1.4
223.95813	1.1
236.92630	1.9
248.92601	3.4
249.93344	2.9
255.23248	5.2
266.93536	4.2
331.17834	1.2
371.15320	2.1
411.18350	4.3
475.15613	1.9
505.16586	1.7
523.17657	100.0
524.17969	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83298	0.2
55.01879	0.4
57.03442	0.6
58.00588	0.3
59.01382	27.8
60.01710	0.5
61.98833	100.0
62.98532	0.5
63.99261	0.3
71.01391	3.8
71.71259	0.2
72.05906	0.2
72.99317	0.5
73.02960	1.6
75.00908	0.3
81.03467	1.3
82.03796	0.3
83.01411	1.0
85.02951	2.0
87.00890	0.5
88.00027	0.2
88.98829	0.4
89.02454	1.3
89.86929	0.2
93.03481	1.0
94.03825	0.4
95.01431	0.7
99.00883	0.6
99.04541	0.2
101.02470	2.6
109.02969	0.3
111.00922	0.5
113.02448	1.8
119.03548	0.4
119.05020	1.8
120.05391	0.5
120.73016	0.2
123.04540	3.9
124.04884	1.3
125.02470	2.2
126.02802	0.6
127.52464	0.3
133.02979	0.7
135.04562	1.1
137.02452	0.4
143.03529	0.4
145.03014	0.5
147.04599	0.4
149.04521	0.3
151.00409	0.4
161.02472	2.6
161.04607	0.7
162.02885	0.4
163.04050	0.5
165.05615	0.9
165.18768	0.2
167.03511	8.8
168.03853	4.5
169.04037	0.5
175.04004	0.3
177.01932	0.3
177.05563	0.2
179.03505	1.5
180.03951	0.5
187.07700	0.3
189.05608	0.4
203.12909	0.3
219.10287	0.2
249.72423	0.2
257.08163	0.5
273.07672	8.0
273.10455	0.4
274.08023	10.9
275.08328	0.9
343.15829	0.3
361.16656	0.5
361.29709	0.5
368.51175	0.3
369.88312	0.2
373.22498	1.0
415.23584	1.8
416.23877	0.3
417.21161	0.3
475.16431	0.3
478.14310	0.3
487.12625	0.9
522.20789	0.8
522.33636	1.3
523.22101	1.3
523.35480	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	522.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67107	0.3
52.91539	0.3
59.01374	5.3
61.98832	66.7
70.28959	1.4
71.01391	4.8
73.02946	1.7
83.01402	0.7
85.02970	2.8
88.98811	1.2
89.02464	3.4
89.18308	0.4
95.01418	0.4
96.96056	0.3
98.20671	0.4
99.00899	0.8
99.04538	0.5
101.02457	3.5
106.80650	0.3
111.00895	1.8
113.02478	2.0
116.92885	1.5
117.03487	1.1
119.03507	1.6
125.02476	0.6
132.02208	0.6
133.02975	19.2
134.03410	1.1
135.04546	9.8
135.06657	1.0
136.04900	0.8
137.02501	0.7
138.05595	0.4
147.04639	0.4
147.06682	0.7
149.02475	0.4
149.04578	0.4
149.06071	0.4
150.03214	0.5
151.04025	0.7
159.02942	0.3
161.02461	98.7
162.02806	6.8
163.04039	0.6
165.05531	0.8
175.09740	0.6
177.01904	0.6
177.05594	1.2
179.03510	8.6
180.03905	0.6
193.05086	0.4
217.10670	0.4
221.04535	0.9
251.05647	0.7
281.06696	1.3
286.67215	0.3
311.10504	0.7
331.17679	0.5
343.12766	0.8
432.14890	0.6
459.15060	100.0
460.15405	16.3
462.15674	0.4
463.21780	5.8
505.13467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.7
60.01718	0.5
61.98835	100.0
62.98523	0.3
69.03468	0.2
69.16335	0.2
69.59028	0.7
69.59451	1.0
71.01387	3.2
72.01737	0.2
72.99318	0.5
73.02949	1.0
83.01402	0.7
83.25868	0.2
85.02962	1.6
87.00874	0.2
89.02473	0.8
98.19857	0.3
99.00860	0.2
101.02467	2.2
102.02785	0.3
113.02472	1.1
119.03533	0.6
119.05039	0.3
123.04554	1.2
124.04900	0.5
125.02477	0.3
133.02963	0.6
134.03719	0.2
135.04500	0.7
142.06599	0.3
149.02510	0.3
153.05608	1.0
154.05928	0.4
160.01723	0.3
161.02448	1.1
161.04562	0.7
167.03464	0.3
175.04053	0.2
176.00961	0.3
177.01582	0.5
177.03438	0.2
179.03426	0.2
190.02762	1.3
191.03294	1.3
192.03822	0.5
198.05562	0.4
204.06548	0.3
205.05115	1.5
206.05415	1.1
209.94623	0.2
219.37491	0.2
223.44582	0.2
257.08078	0.3
275.14597	0.3
277.81815	0.2
343.08142	0.4
359.28021	0.3
360.28217	0.2
367.09967	0.2
368.10501	0.8
373.22379	1.4
374.22269	0.3
415.23380	1.1
479.37473	0.2
492.19470	0.3
521.32819	0.6
522.16907	2.1
522.33978	1.2
523.16156	0.3
523.21967	0.6
523.34357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.4
59.01374	6.1
61.98830	60.2
70.35871	0.6
70.36292	1.5
71.01388	5.0
71.05013	0.5
73.02955	1.1
83.01352	0.4
85.02950	2.0
88.98824	0.7
89.02452	2.9
91.68581	0.4
99.00925	0.6
99.92638	0.5
101.02446	3.2
109.03009	0.4
111.00903	1.5
112.00060	0.4
113.02445	2.0
116.92863	3.0
117.03506	0.7
118.98108	0.5
119.03537	0.6
123.04526	0.8
124.04102	0.4
131.07155	0.6
132.02177	1.1
133.02974	21.0
134.03786	0.5
135.04543	8.5
135.06674	1.7
137.02496	0.7
145.02914	0.5
147.06618	2.7
149.02429	0.6
150.03311	0.6
151.04089	1.0
159.02992	0.4
160.04056	0.8
161.02460	100.0
162.02783	6.2
163.04039	1.5
165.05583	0.7
177.05646	0.4
179.03516	7.4
197.30324	0.4
221.04558	0.8
281.06647	1.1
360.15356	0.7
459.15060	95.9
460.15390	14.4
463.21820	0.6
487.14728	0.7
505.13776	0.6
523.21216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03453	2.9
58.00596	1.8
58.24959	0.2
59.01382	34.8
60.01714	0.6
61.98835	3.9
67.22176	0.2
68.99821	0.2
69.03464	0.5
69.70455	0.6
69.70880	0.7
71.01388	34.8
72.01744	0.5
72.99311	2.2
73.02954	6.8
75.00886	0.8
83.01397	3.8
84.02184	0.2
85.02962	12.7
86.00121	0.3
86.03292	0.3
87.00890	1.5
88.98833	0.4
89.02457	17.3
90.02801	0.3
95.01400	3.1
97.02965	0.7
97.06609	0.4
98.08366	0.2
99.00892	2.4
99.04478	0.2
101.02459	21.3
102.02800	0.5
105.01945	0.4
109.02999	0.2
111.00909	1.7
111.08198	0.3
113.02470	12.9
113.09776	0.2
114.02795	0.5
119.03525	6.3
119.05001	0.3
123.04518	0.3
123.08197	0.2
125.02443	0.6
127.11281	0.5
129.01978	0.8
131.03537	0.5
133.03004	0.5
135.04608	0.2
137.09792	0.9
138.03244	0.3
139.00328	0.2
139.11258	0.2
141.02016	0.2
143.03514	1.3
149.02452	0.3
149.04593	0.5
153.12859	0.4
155.10773	1.5
155.11652	0.1
157.12363	0.7
159.03044	1.3
161.02547	1.4
161.04570	4.4
164.04799	0.2
167.03531	0.5
167.10832	1.1
171.14105	0.3
179.03320	0.2
179.05656	1.6
183.13966	0.3
187.13432	0.2
196.03825	0.5
201.14984	2.3
202.15309	0.2
203.40178	0.2
211.13408	0.3
214.54024	0.2
229.14502	0.2
230.15186	1.2
240.66290	0.2
251.43027	0.2
273.07706	0.4
291.07813	0.3
293.08853	0.2
305.25104	0.3
306.10303	0.3
307.33234	0.2
311.26102	0.2
313.27554	0.2
329.13815	0.3
341.27026	0.4
350.09357	0.3
359.28033	17.9
360.28448	2.4
384.22479	0.2
433.28009	0.3
490.16202	0.3
521.33301	100.0
522.33667	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03453	2.9
58.00596	1.8
58.24959	0.2
59.01382	34.8
60.01714	0.6
61.98835	3.9
67.22176	0.2
68.99821	0.2
69.03464	0.5
69.70455	0.6
69.70880	0.7
71.01388	34.8
72.01744	0.5
72.99311	2.2
73.02954	6.8
75.00886	0.8
83.01397	3.8
84.02184	0.2
85.02962	12.7
86.00121	0.3
86.03292	0.3
87.00890	1.5
88.98833	0.4
89.02457	17.3
90.02801	0.3
95.01400	3.1
97.02965	0.7
97.06609	0.4
98.08366	0.2
99.00892	2.4
99.04478	0.2
101.02459	21.3
102.02800	0.5
105.01945	0.4
109.02999	0.2
111.00909	1.7
111.08198	0.3
113.02470	12.9
113.09776	0.2
114.02795	0.5
119.03525	6.3
119.05001	0.3
123.04518	0.3
123.08197	0.2
125.02443	0.6
127.11281	0.5
129.01978	0.8
131.03537	0.5
133.03004	0.5
135.04608	0.2
137.09792	0.9
138.03244	0.3
139.00328	0.2
139.11258	0.2
141.02016	0.2
143.03514	1.3
149.02452	0.3
149.04593	0.5
153.12859	0.4
155.10773	1.5
155.11652	0.1
157.12363	0.7
159.03044	1.3
161.02547	1.4
161.04570	4.4
164.04799	0.2
167.03531	0.5
167.10832	1.1
171.14105	0.3
179.03320	0.2
179.05656	1.6
183.13966	0.3
187.13432	0.2
196.03825	0.5
201.14984	2.3
202.15309	0.2
203.40178	0.2
211.13408	0.3
214.54024	0.2
229.14502	0.2
230.15186	1.2
240.66290	0.2
251.43027	0.2
273.07706	0.4
291.07813	0.3
293.08853	0.2
305.25104	0.3
306.10303	0.3
307.33234	0.2
311.26102	0.2
313.27554	0.2
329.13815	0.3
341.27026	0.4
350.09357	0.3
359.28033	17.9
360.28448	2.4
384.22479	0.2
433.28009	0.3
490.16202	0.3
521.33301	100.0
522.33667	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	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31199	0.8
57.03442	1.4
58.00589	2.3
59.01382	80.8
59.98520	1.3
60.01726	0.9
61.24538	0.8
61.98834	12.8
63.96237	1.6
69.03458	4.1
69.49599	5.5
71.01391	68.7
72.01711	1.0
72.99310	4.8
73.02956	7.1
75.00896	1.6
81.03464	2.4
83.01408	3.1
85.02964	8.9
87.00892	4.3
88.98832	1.4
89.02457	86.6
90.02799	1.2
95.01401	2.4
97.02974	4.7
98.20585	1.3
99.00909	1.8
99.04530	2.0
101.02461	22.3
102.00953	0.8
108.04523	1.1
108.08231	1.0
111.00909	2.8
113.02480	11.9
114.02841	1.0
115.04091	0.9
119.03519	4.3
121.54706	0.7
122.12708	0.7
125.02470	20.4
131.03525	27.3
135.04601	1.2
135.98396	3.1
137.14948	0.7
143.03532	2.8
149.04582	42.8
150.04842	1.6
152.07222	0.8
161.02451	1.7
167.03539	1.3
167.10796	100.0
168.11148	5.9
179.12405	0.8
191.05655	10.9
197.06448	0.7
225.40532	0.7
227.07141	0.8
233.06682	4.0
293.08801	64.7
294.09116	4.6
329.13861	1.1
359.15015	3.0
359.27817	0.9
373.35675	0.8
461.20404	2.4
461.31183	2.1
521.26563	2.1
521.33929	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03450	1.2
58.00579	1.6
58.10871	0.5
59.01382	20.3
59.40975	0.6
61.98818	1.9
69.04186	0.5
70.45412	0.4
71.01386	15.2
72.99304	2.0
73.02968	3.9
75.00863	0.7
83.01396	3.9
85.02964	7.9
86.00092	1.0
87.00890	3.1
88.98845	0.7
89.02458	5.3
95.01396	1.1
99.00893	1.8
101.02459	10.7
107.08759	0.5
108.02180	0.8
109.02968	1.3
111.00893	1.4
113.02470	5.6
119.03510	1.4
121.02975	5.2
122.31434	0.5
125.02476	1.0
129.01968	0.6
133.02937	1.6
134.03799	0.6
135.04562	2.1
136.01712	1.2
137.02495	1.0
145.02982	2.7
146.03572	0.5
147.04561	1.4
149.02539	0.7
149.06107	0.8
151.04044	1.1
159.04593	2.6
160.01622	0.6
161.02480	4.0
163.04112	0.6
164.04802	0.6
175.04062	0.8
179.03511	0.6
199.85829	0.6
204.06621	1.3
213.84241	0.6
223.09793	0.6
224.04791	1.0
225.09204	0.6
231.75894	0.4
235.07771	0.7
238.06297	0.8
239.06981	0.9
240.04350	0.8
242.56126	0.5
247.07639	0.6
252.04291	0.7
252.07697	0.6
253.08678	1.0
254.05713	0.8
255.06578	1.7
263.07153	0.8
265.08725	1.1
266.05933	1.1
266.09000	0.8
267.06656	2.2
268.07394	3.1
269.08136	6.0
270.09033	2.7
277.08786	0.6
280.07416	2.1
281.05322	0.6
281.08218	9.6
282.08871	5.7
283.09744	6.2
284.10236	1.1
293.08279	2.8
294.08713	0.9
295.09741	3.0
296.07321	0.6
296.10382	2.4
297.11252	1.1
299.09235	4.7
300.09918	1.6
301.03516	0.6
302.07996	0.9
308.10553	0.5
309.11395	0.9
311.09286	4.8
312.09927	1.9
313.10632	0.8
314.07944	2.1
314.11621	8.0
315.12283	4.6
316.13016	0.8
325.10931	0.8
326.11600	10.6
327.12292	8.0
328.12991	0.8
329.10333	0.8
329.13968	11.4
330.14270	1.6
339.12289	0.7
340.09586	0.9
341.13977	8.7
342.14240	0.9
343.11804	3.0
355.11923	5.7
356.12582	1.2
357.13309	1.2
359.14844	0.8
369.13550	1.4
385.14886	1.5
445.15137	1.0
461.14365	2.5
473.14471	5.8
474.14761	0.8
476.10461	0.4
476.16870	9.4
477.17236	1.4
488.16949	5.9
489.17178	0.8
491.19229	100.0
492.19543	18.7
503.19247	88.8
504.19583	17.6
521.19714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
58.00602	4.8
59.01381	100.0
60.01714	1.5
61.98835	7.2
71.01389	65.8
72.01724	1.4
72.99323	5.3
73.02949	2.9
81.68049	0.7
83.01388	2.6
83.25814	0.5
85.02961	9.6
87.00893	3.2
89.02456	87.2
90.02788	2.0
92.43047	0.6
95.01387	5.4
100.32698	0.7
101.02463	32.6
108.02161	1.7
109.02983	1.7
113.01688	1.5
113.02465	27.0
114.02784	1.1
119.03518	35.6
120.03825	1.0
121.80910	0.6
125.02443	1.0
131.03542	3.7
132.02135	1.2
133.02971	3.1
134.03719	1.9
135.04512	1.2
143.03519	5.7
145.02957	2.9
149.02452	1.5
149.04509	2.4
150.03224	2.2
151.03909	0.6
152.01169	2.4
153.01958	1.0
160.01668	4.9
161.02504	5.7
161.04570	6.1
164.04749	0.9
165.05519	1.7
175.04002	4.8
175.07561	0.8
179.03470	0.9
179.05635	14.1
185.44292	0.7
190.02635	1.0
193.05061	1.0
224.04761	2.8
225.09164	1.1
227.10666	0.8
238.06332	3.2
239.10780	1.2
241.08603	2.0
251.07124	1.2
252.04227	1.4
254.09465	1.0
255.05092	0.7
255.10254	7.9
256.10361	1.1
266.05865	3.4
267.05997	0.8
267.10083	1.8
269.11746	2.0
270.12518	2.0
281.07941	0.8
282.08923	1.0
283.09756	31.0
284.10147	3.7
291.07666	1.7
294.08768	1.9
295.09714	3.7
296.10373	2.3
297.11084	2.1
298.12234	4.5
306.10089	1.9
309.07669	0.7
309.11267	1.4
310.08383	1.5
310.11954	1.8
311.09265	75.8
312.09555	8.9
325.10779	6.7
326.11584	44.9
326.15060	1.0
327.12021	5.4
329.13846	1.8
337.09241	1.3
341.13947	77.1
342.14288	11.9
350.09140	1.0
434.25125	0.7
490.15976	1.0
491.18524	0.7
503.15231	1.8
521.16150	3.9
521.26184	0.7
522.17261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
57.03471	0.4
59.01376	4.1
61.07767	0.4
70.04979	0.3
71.01385	4.5
71.70963	0.8
72.99319	0.8
73.02951	0.7
73.91150	0.4
85.02951	1.5
87.00895	0.4
89.02456	1.0
93.03469	0.7
95.01420	0.5
99.00871	0.5
101.02448	2.6
108.02174	0.6
109.02960	0.8
113.02473	1.5
119.03545	0.4
119.05048	0.8
121.02988	3.3
122.03754	1.0
123.00896	1.0
123.04533	0.5
124.01654	0.7
128.97023	0.4
133.02943	0.8
135.04523	1.2
136.01636	0.5
136.05295	0.8
137.02458	0.6
137.06085	0.7
140.95854	0.3
143.05055	0.8
145.02988	1.9
146.03658	0.4
147.04550	2.0
149.02460	1.7
149.06075	0.3
150.03241	5.2
151.03978	0.6
158.03763	2.3
159.03194	0.6
159.04539	7.5
160.05321	24.9
161.02519	2.3
161.04541	0.9
161.06062	7.8
162.06306	0.4
163.04030	5.1
164.04826	5.6
165.05501	1.0
173.06094	4.1
174.06598	0.3
175.07649	22.0
176.04742	1.0
176.07988	1.5
177.05573	6.8
178.06372	7.5
179.03542	1.1
179.06793	0.5
192.07948	1.6
193.05132	0.4
193.08714	2.7
195.06619	0.5
203.94191	0.4
205.05148	0.4
221.04462	0.4
235.06032	0.4
241.04910	0.5
251.05753	0.3
265.06961	0.6
299.12778	0.4
304.75256	0.4
311.09213	0.6
313.10815	0.4
314.11603	1.6
326.11606	0.8
329.13947	100.0
330.14297	12.7
341.13925	1.0
344.12656	1.1
345.12866	0.4
357.27179	0.4
359.15045	8.4
360.15482	1.2
403.35049	0.4
461.24112	0.5
490.65063	0.4
503.15778	0.5
521.20392	7.3
521.26367	0.5
522.20630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87555	0.3
56.29988	0.3
58.50091	0.3
59.01377	6.8
61.98832	100.0
71.72059	0.5
176.64595	0.4
200.81891	0.3
485.33188	1.0
490.59189	0.4
493.35886	0.3
516.50690	0.4
520.29504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98833	100.0
62.07771	0.2
64.79549	0.2
78.95926	1.3
84.87350	0.2
98.19812	0.4
124.74476	0.2
152.99619	2.4
229.77002	0.2
239.84018	0.2
430.32956	0.2
433.23633	1.0
434.23996	0.2
457.33374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01385	8.9
61.98833	19.5
65.00342	0.4
69.40939	2.5
71.01395	2.3
71.05038	0.3
72.99318	0.3
73.02952	0.8
77.55637	0.2
81.03466	7.9
82.03831	0.2
83.01395	3.7
85.02963	0.9
87.00901	0.5
88.98830	0.4
89.02462	1.1
93.03466	6.4
93.18830	0.2
94.03794	0.3
95.01398	0.6
95.05029	0.6
99.04530	0.4
99.18184	0.2
101.02449	1.4
107.01406	0.7
107.05063	0.2
111.00884	0.3
111.04512	0.3
113.02444	0.9
117.03429	0.2
119.05047	7.3
119.05907	0.4
120.05402	0.3
121.03054	0.3
123.04546	23.6
124.01659	0.3
124.04852	0.8
125.02466	11.7
126.02818	0.4
130.08719	0.2
133.02962	0.5
134.03748	0.3
135.04564	1.9
137.02470	0.5
138.03270	0.7
147.04536	0.3
149.02414	1.5
151.00380	2.0
153.12820	0.2
161.02467	2.0
161.04584	0.8
163.04065	0.5
164.01123	0.3
165.05647	0.5
167.03520	68.8
168.03847	3.7
175.03929	0.3
179.03529	6.7
180.03786	0.3
187.07628	0.5
189.05583	1.7
191.03465	1.1
196.27419	0.2
211.07655	0.4
216.40395	0.2
229.08684	0.7
235.06171	0.3
255.06659	0.7
255.19542	0.6
265.06995	0.3
273.07678	100.0
274.08035	9.9
295.08249	0.3
297.07599	0.3
315.08865	0.3
329.13953	0.3
359.15454	0.3
359.20596	0.5
359.27991	0.3
366.24323	0.3
379.65179	0.2
415.23257	0.4
461.23663	0.2
477.14059	3.1
478.14578	0.6
520.30280	0.5
521.19794	1.8
521.27161	0.4
521.33270	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02757	0.7
57.03434	1.3
58.00578	2.1
59.01384	12.1
61.98838	10.4
70.23127	4.2
71.01388	9.4
72.99291	1.6
73.02940	3.0
74.02400	0.9
75.00877	4.2
83.01376	1.2
83.56961	0.8
85.02959	7.5
85.72757	0.9
87.00869	2.1
89.02434	3.2
92.84783	1.0
93.80902	0.7
99.00866	1.2
101.02431	3.4
108.95107	0.9
109.02955	1.0
111.00259	0.9
111.00901	11.0
113.02428	2.7
122.06153	4.4
122.06819	0.8
123.04628	0.9
125.02399	2.5
129.01939	2.1
132.04543	1.9
133.02933	2.1
135.04469	3.3
137.02434	1.1
137.06023	1.3
142.06577	1.9
144.04575	1.9
145.05270	0.9
146.06128	1.9
147.03250	1.4
147.04437	1.2
149.02419	3.4
149.06021	3.1
150.03238	5.4
150.05594	1.4
151.04004	1.2
153.01886	2.8
160.04005	3.7
161.02496	6.2
161.04550	1.6
162.05698	1.5
164.04720	1.2
164.07152	1.2
165.05591	7.1
172.03967	3.7
173.04741	2.1
174.05685	4.6
175.03955	1.4
176.03395	1.1
176.04761	1.3
176.07086	2.4
179.03416	2.5
180.04219	1.1
186.05612	2.1
190.05069	1.8
191.07100	1.5
195.06483	2.7
202.05099	1.3
203.05768	1.4
204.06688	9.3
205.07176	1.6
206.08051	1.1
221.08052	2.0
225.10216	1.3
226.12393	1.5
231.05330	2.1
232.05849	2.3
235.06041	1.2
237.10052	1.4
238.10966	2.6
239.11676	2.3
240.08638	0.9
241.09744	1.3
248.05481	3.9
251.11800	1.4
252.10242	1.0
253.09634	1.5
253.13475	10.0
254.11798	2.0
255.11185	2.6
262.07022	1.8
263.07709	1.3
266.06790	0.9
267.07565	3.6
267.11063	1.2
268.08286	2.5
269.09137	2.4
269.12762	2.9
279.11218	1.9
280.08392	1.0
281.09277	4.2
282.09912	2.5
283.10715	2.3
287.09192	1.4
287.13773	1.2
295.07770	0.9
295.10934	5.5
296.08063	1.1
296.11371	4.6
297.12448	28.5
298.12543	3.3
309.08633	1.8
311.10471	1.1
311.13919	4.6
313.11908	1.1
317.10373	1.4
323.10394	1.2
323.13681	1.3
325.11893	6.9
326.12097	1.0
327.13351	1.5
328.10510	1.7
329.14871	1.4
337.12045	2.0
339.12909	1.3
341.11270	1.7
353.11282	2.0
355.13046	37.2
356.13376	6.2
367.12701	2.8
369.10541	1.3
371.12219	1.1
377.52927	0.9
381.10809	3.1
383.11554	2.1
387.15427	2.2
391.13031	1.0
399.11945	14.0
400.11963	2.6
401.13629	6.9
413.13034	1.5
431.14609	100.0
432.10046	1.0
432.14978	15.6
443.09402	1.0
443.14459	7.8
444.14655	1.0
461.15549	13.0
462.15488	1.5
463.15790	1.4
467.14206	2.9
477.19489	2.3
485.15714	6.6
503.16568	4.1
521.17365	46.6
522.17828	8.1
527.87939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
60.01699	0.3
60.07603	0.1
60.10028	0.2
61.00777	0.2
61.01794	0.3
61.98837	3.2
62.96410	0.4
63.99271	0.2
71.06605	0.2
78.95910	46.6
96.96978	6.8
96.97463	0.1
104.32912	0.2
115.19910	0.2
122.31418	0.2
126.23279	0.2
150.98044	1.6
152.99609	100.0
153.99945	2.1
171.00662	5.4
187.58847	0.2
240.71680	0.2
279.23209	1.1
382.04437	0.2
433.23618	26.0
434.23981	3.8
438.80780	0.2
483.31091	0.3
484.31580	0.6
485.32645	0.3
520.26794	6.8
521.26855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
60.99311	1.3
61.54285	0.4
61.98833	100.0
70.32240	0.9
70.32629	1.2
73.69789	0.3
78.95912	24.7
96.96962	2.9
98.19872	0.8
150.98112	1.0
152.99609	52.7
153.99968	1.2
163.21480	0.4
164.42859	0.4
171.00639	4.0
173.86029	0.4
204.23595	0.4
240.03099	0.4
253.77475	0.4
264.79822	0.5
279.23227	0.5
362.96594	0.5
422.31537	0.8
423.32565	1.0
433.23547	13.3
434.24106	2.2
483.31158	17.9
484.31491	28.0
485.32593	21.8
520.26837	3.3
521.27124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
58.00591	0.5
58.36194	0.2
59.01380	23.0
60.01711	0.4
61.98832	100.0
63.58900	0.3
64.49104	0.3
67.03655	0.2
68.66797	0.2
69.03466	0.3
70.21690	0.2
71.01386	11.7
71.71495	0.4
72.99321	1.0
73.02951	7.7
74.02490	0.9
75.00880	0.4
81.03506	0.3
83.01399	3.0
83.05080	0.3
85.02962	3.9
87.00883	1.1
88.98281	0.2
88.98835	0.9
89.02457	5.8
91.47639	0.2
93.03465	0.4
95.01411	0.7
97.02973	0.6
99.00928	0.7
99.04560	0.3
101.02456	11.3
102.02784	0.5
103.00407	0.3
104.03562	1.0
109.02990	0.3
110.64405	0.2
111.00905	0.4
113.02464	6.8
113.03239	0.4
119.03513	2.2
119.05011	0.4
121.02962	0.6
123.04577	0.9
125.02481	1.0
131.03539	0.9
133.02982	0.3
134.03790	1.0
135.04541	2.2
143.03542	1.3
143.04567	0.3
147.04572	0.4
149.02478	1.3
149.04579	1.7
150.03255	0.9
151.04117	0.3
153.02036	0.6
153.05597	1.0
159.03059	0.4
160.01680	1.0
161.02562	1.2
161.04584	2.6
162.03102	0.3
163.04100	0.7
164.04852	0.7
165.05627	0.9
165.12865	0.3
167.03526	0.2
170.52760	0.2
171.34419	0.2
175.00394	2.8
175.02655	0.4
175.04063	1.0
175.07784	0.3
176.01189	2.9
177.02032	0.4
177.05594	0.5
179.03374	0.4
179.05699	0.5
179.07159	0.4
180.17183	0.3
187.07629	0.4
190.02747	7.0
191.03532	4.8
193.05171	0.7
195.03058	0.4
205.05067	9.6
209.04512	0.4
221.06607	0.6
223.06184	1.1
231.10237	0.3
265.07104	0.5
271.02515	0.6
272.02844	0.6
281.08121	0.4
300.02454	0.6
301.03073	0.4
309.07803	0.5
310.08090	1.1
315.04913	0.3
315.10977	1.2
316.05527	0.8
316.64490	0.3
324.10022	0.5
325.10388	0.6
329.13904	0.5
337.09454	0.5
339.12479	0.8
340.12854	1.6
341.13702	0.4
353.62286	0.3
359.15045	0.4
359.28125	1.0
367.10724	0.3
473.15793	0.4
491.19217	2.4
503.19843	1.9
520.12103	0.8
520.24243	1.7
520.31738	0.8
521.16632	11.4
521.25458	1.4
521.33130	5.6
538.14124	0.3
543.96564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52158	0.1
50.52403	0.2
52.72821	0.1
55.01867	0.1
57.03458	0.4
59.01382	6.9
60.01736	0.2
60.99291	0.2
61.98833	100.0
62.98557	0.3
69.03459	0.2
69.63670	1.0
71.01387	2.9
72.99325	0.4
73.02967	0.7
75.00889	0.6
83.01401	0.7
85.02961	1.5
87.00896	0.7
87.04548	0.2
87.23596	0.2
88.98811	1.3
89.02451	1.7
93.03468	0.2
95.01418	0.3
97.03024	0.1
99.00909	0.6
99.04543	0.2
101.02460	1.6
108.02244	0.2
109.02969	0.4
111.00933	0.3
113.02445	1.4
114.02820	0.2
115.05151	0.4
115.80862	0.1
115.87625	0.1
119.03543	0.5
119.05086	0.4
121.02994	0.1
123.04566	0.3
123.83911	0.2
125.02489	0.4
130.08795	0.7
133.02982	0.6
134.03799	0.5
135.04556	0.4
137.02519	0.4
149.02472	0.3
149.06082	0.2
150.03241	0.2
151.04021	0.2
153.05623	0.2
157.13536	0.3
159.03094	0.2
159.04498	0.2
160.79593	0.2
161.02475	1.7
161.04585	0.5
161.05949	0.2
163.04033	0.5
164.04829	0.1
165.01884	0.1
165.05594	0.5
167.03583	0.5
175.02557	0.3
175.04062	0.3
177.01988	0.2
179.03586	0.5
179.05669	0.2
187.07635	0.4
187.35730	0.2
190.02780	0.4
191.03358	0.2
193.05093	0.4
195.06595	0.3
205.05139	0.5
225.11380	0.8
235.06223	0.2
249.06172	0.3
250.06371	0.2
267.07217	0.7
268.07562	0.4
273.07553	0.2
277.08145	0.2
311.09314	0.4
326.11481	0.2
329.14066	0.2
341.14084	0.5
341.35153	0.2
366.98495	0.2
371.20926	0.3
413.24158	1.0
448.26425	0.3
457.26715	0.9
461.20248	0.4
519.32483	0.2
520.11450	0.7
520.21277	2.6
520.32715	0.4
521.20105	0.9
521.26483	0.6
521.32776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01382	44.5
60.01709	0.6
61.20653	0.3
61.98835	100.0
67.08989	0.2
69.03468	0.5
69.05699	0.2
71.01392	8.4
72.99313	1.0
73.02953	5.7
81.03455	0.4
83.01392	2.7
85.02971	3.4
87.00893	0.7
88.98812	1.3
89.02456	2.6
89.40729	0.3
93.03482	0.5
95.01403	0.8
97.02927	0.3
99.00946	0.6
101.02464	8.4
111.00848	0.3
113.02467	5.3
119.03524	1.5
119.04221	0.3
119.05048	0.7
121.02919	0.4
123.04508	1.3
125.02457	1.0
128.03474	0.5
129.01895	0.5
131.03502	0.9
133.03014	1.5
134.03787	0.3
135.04553	0.7
137.02350	0.3
138.03220	1.1
142.06654	0.3
143.03471	0.9
143.04573	0.7
145.57166	0.3
147.04495	0.3
149.04613	1.4
151.00407	0.7
160.01691	0.3
161.01260	0.4
161.02505	3.9
161.04587	3.5
163.04036	0.3
165.05540	0.4
167.03493	2.7
173.49278	0.2
175.03947	0.4
179.03397	0.5
193.04971	0.3
203.05672	0.4
204.06760	0.4
209.15315	0.5
221.06610	1.3
228.52448	0.3
239.29866	0.3
255.19450	0.3
256.16211	0.5
273.07593	3.1
329.13644	0.3
359.27478	0.3
366.23737	0.4
371.20685	1.5
413.21927	2.6
520.17401	0.6
520.24951	2.3
520.31146	0.6
521.19977	2.8
521.26031	0.8
521.32819	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	519.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.6
61.98832	11.7
68.27243	0.3
71.01401	0.8
71.05048	0.5
71.70982	0.4
71.99370	0.3
72.99270	0.3
73.02926	0.4
96.95974	0.4
101.02459	0.6
173.43494	0.3
198.47534	0.3
219.72935	0.3
291.19794	0.3
399.79465	0.4
427.32388	1.5
428.32458	0.5
441.30154	1.4
443.31665	1.4
445.33356	4.4
446.33759	1.0
457.33392	3.6
471.31274	0.8
473.32910	0.5
489.32242	13.2
490.32697	2.3
501.32327	2.7
502.33215	0.4
519.33295	100.0
520.33673	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	520.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03445	0.2
58.00579	0.2
59.01380	12.5
60.01738	0.2
61.98832	100.0
69.03455	0.3
70.01296	0.9
71.01387	4.4
72.01738	0.2
72.99308	0.4
73.02956	1.3
75.00887	0.2
76.01081	0.2
77.06062	0.2
83.01400	0.5
85.02962	1.5
87.00905	0.6
88.98816	0.4
89.02448	3.6
91.87035	0.2
95.01408	0.5
96.96052	0.2
97.02937	0.3
98.19872	0.3
101.02450	3.6
108.02285	0.3
108.04611	0.4
109.02980	0.3
113.02468	3.9
115.00386	0.2
119.03523	1.3
119.05015	0.3
121.03050	0.2
122.03765	0.2
125.02496	0.5
131.03525	0.6
133.03003	0.6
135.04527	0.4
136.01678	0.3
136.04851	0.2
137.02432	0.3
138.03392	0.2
143.03548	0.7
147.03035	0.2
149.02480	0.2
149.04625	0.6
151.04019	0.5
153.01971	0.2
153.05634	0.4
160.01720	0.2
161.02463	1.9
161.04512	1.2
162.02769	0.3
163.04109	0.4
165.05553	0.3
175.04082	0.2
179.03487	0.3
179.05673	0.5
188.94031	0.2
190.02739	0.3
205.05095	0.5
221.06764	0.2
225.11400	0.5
231.06743	0.2
283.09879	0.5
311.09262	1.0
323.07855	0.6
326.11716	0.7
329.13965	0.3
341.13953	1.0
358.13931	0.6
359.28299	0.2
367.10577	0.3
387.09814	0.2
387.22833	0.2
406.55066	0.2
413.21347	0.2
476.15149	0.3
520.21509	0.7
521.16180	0.5
521.33472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42226	0.5
59.01378	6.2
61.35237	0.5
61.98832	9.0
69.78585	1.3
69.78989	2.9
71.01392	3.0
73.02943	0.7
74.02502	1.1
75.00858	0.6
85.02954	2.8
88.98802	1.2
89.02449	1.9
93.03492	0.6
96.96050	1.5
97.34467	0.6
98.19882	1.4
99.04474	0.7
101.02439	1.5
102.05608	0.9
104.77369	0.7
111.00882	0.6
113.02510	1.2
114.33489	0.7
116.05064	1.8
116.92873	0.7
119.03528	0.8
119.05098	0.6
123.04543	55.3
124.04881	2.6
125.02406	0.8
128.07210	0.8
133.02975	0.9
135.04556	2.6
139.23409	0.7
151.03987	1.3
153.05595	100.0
154.05945	5.0
160.04041	0.6
161.02451	0.9
163.66635	0.6
167.03453	0.7
177.01884	1.9
203.08206	3.6
295.13202	0.7
315.10867	27.2
316.11203	2.7
339.11615	0.7
357.08389	0.7
395.96490	0.6
402.99319	0.7
407.19479	0.7
459.14886	1.3
519.14203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03450	1.1
58.00630	0.4
59.01381	100.0
60.01719	1.0
61.98835	25.2
65.32647	0.4
69.03461	0.4
69.48647	4.4
71.01389	12.2
71.04998	0.4
72.99315	1.0
73.02955	4.8
74.99080	0.4
75.00868	0.9
81.03451	0.4
83.01395	2.3
83.05022	0.4
85.02961	5.5
86.69208	0.4
87.00919	1.3
87.04533	0.9
88.98829	1.8
89.02446	4.7
95.01427	1.2
97.02991	0.6
99.00908	1.6
101.02459	7.7
101.03081	0.6
111.00938	2.0
113.02455	6.4
114.02879	0.4
119.03526	1.5
123.04560	0.6
125.02485	1.2
130.08809	0.5
130.98412	0.5
133.02983	0.5
135.98383	1.0
143.03528	0.9
145.02922	0.6
147.04572	0.7
149.04639	0.5
155.93335	0.5
159.02998	0.6
160.01707	0.4
161.02463	2.7
161.04584	2.3
165.05637	1.4
167.03531	0.9
175.04088	0.5
182.46945	0.4
213.86031	0.4
215.22824	0.4
218.69136	0.4
255.19583	0.7
279.15970	0.5
329.19769	0.7
357.26654	0.5
381.22983	0.5
399.23877	28.1
400.24249	3.9
417.24936	13.3
418.25464	2.0
459.26065	2.6
460.26672	0.7
477.23178	2.3
488.76682	0.9
519.11865	2.2
519.23834	3.3
519.31769	5.4
520.24506	0.6
520.31909	0.9
546.97046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01870	0.8
57.03452	1.1
58.00584	0.5
59.01382	57.5
60.01719	0.5
61.98834	13.8
63.13794	0.3
69.03452	0.5
71.01390	13.5
72.01723	0.3
72.99316	0.9
73.02953	4.1
75.00897	0.7
82.66063	0.3
83.01396	1.9
85.02959	6.1
86.00137	0.5
87.00893	0.9
88.98813	0.5
89.02444	3.1
90.98631	0.3
93.67059	0.3
95.01426	1.0
97.02968	0.4
99.00896	1.7
101.02462	9.2
111.00906	0.7
111.04601	0.4
112.56428	0.3
113.02468	5.9
119.03509	1.2
133.03001	0.3
135.03070	0.6
137.02505	0.4
143.03532	0.3
159.03027	0.7
161.02463	0.3
161.04576	1.8
167.10757	0.4
179.14420	0.5
195.13904	1.4
204.06601	0.3
205.12399	0.9
223.13409	11.4
223.15602	0.6
224.13794	1.0
251.31375	0.3
253.09349	1.5
255.06671	2.6
259.91705	0.3
279.23264	0.3
357.26489	0.6
427.32022	0.5
441.28543	2.0
459.22302	1.7
459.29715	0.9
460.22391	0.4
473.26282	0.3
475.31070	0.5
501.30502	0.9
519.31744	100.0
520.32074	18.8
520.43542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45339	0.6
54.10773	0.7
56.14280	0.6
56.90861	0.7
57.03437	1.1
59.01091	1.4
59.01380	23.3
61.02917	0.7
61.98832	22.2
69.39825	6.8
71.01384	20.4
72.99288	2.0
73.02936	3.1
80.08985	0.7
83.01384	1.8
85.02959	6.5
87.00889	2.0
88.98810	5.2
89.02454	13.3
91.01936	0.8
93.03474	1.3
95.01398	0.7
96.32430	0.7
96.96023	2.0
97.02938	0.7
99.00874	1.1
101.02457	9.5
111.00920	1.0
113.02473	5.6
115.00365	1.2
117.03446	1.3
119.01402	2.5
119.03517	4.1
119.05027	0.9
121.02943	2.1
125.02415	1.0
131.03516	1.7
132.02184	4.3
133.01436	1.8
133.02953	5.2
133.05072	2.8
134.03755	14.9
135.04572	13.8
137.02483	1.1
147.00900	1.5
147.04506	2.2
149.02458	16.4
149.04411	0.7
149.06082	2.5
150.03252	1.0
151.04059	1.0
151.06143	4.1
160.01686	18.2
161.02458	26.6
161.04581	2.0
163.03990	2.4
163.06171	0.8
164.04817	17.9
165.01924	0.8
174.98969	1.4
175.00385	15.6
175.04015	22.8
176.04585	3.1
177.01932	1.5
177.05618	1.9
178.02724	2.2
179.03519	5.1
179.05635	1.4
179.07124	2.5
181.07161	1.5
190.02733	48.9
191.03322	3.9
191.07228	3.9
192.04317	0.9
193.05067	25.5
194.05441	1.5
205.05058	51.4
206.05586	6.3
207.02930	1.2
207.06580	2.0
208.03760	1.4
209.04691	1.2
209.06599	1.8
221.04561	2.2
221.08255	3.5
223.06111	33.7
224.06427	3.1
235.06097	10.8
236.06453	1.0
237.07654	1.6
251.05611	2.1
265.07135	14.8
266.07434	1.3
281.06717	3.2
281.98898	0.7
295.08057	5.1
297.09595	1.7
325.08899	1.1
325.11942	0.9
327.08685	1.5
341.08807	3.8
355.10510	1.9
367.10318	1.2
383.09818	19.6
385.11508	1.1
429.13593	0.9
457.13480	6.3
519.17084	100.0
520.17456	18.7
520.25122	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	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95614	0.5
57.03450	0.5
59.01381	14.3
60.72407	0.5
61.98824	3.9
66.88539	0.6
71.01382	10.4
71.20634	1.2
72.99297	0.8
73.02946	2.3
73.15869	0.5
77.15514	0.5
83.01434	1.0
85.02959	4.1
87.00888	0.9
88.98818	2.0
89.02456	8.1
91.01902	0.7
93.03451	0.9
95.01386	0.8
99.00866	0.8
101.02452	6.0
104.40005	0.5
113.02483	3.4
117.03421	0.6
119.01402	4.8
119.03521	3.0
119.05022	0.8
121.02974	3.0
131.03500	0.9
132.02202	0.6
133.02960	0.8
133.05177	0.6
133.07376	0.5
134.03748	1.6
135.04561	2.4
137.02440	0.6
147.00879	2.2
147.04524	2.2
149.02461	24.0
150.03023	1.0
151.06149	6.0
152.01137	1.1
160.01640	0.9
161.02452	4.4
161.04588	0.7
163.04022	3.3
164.04814	27.0
165.01939	1.4
165.05228	2.2
166.02740	0.9
175.00377	24.5
175.04007	1.4
175.06183	0.5
176.01039	1.2
177.01874	0.7
177.05576	1.5
179.03471	1.5
179.07137	4.3
180.07518	0.6
182.07730	0.5
188.04861	0.8
189.02025	0.9
190.02728	71.6
191.03293	7.0
193.01419	0.8
193.05054	0.9
203.07175	1.2
205.05060	79.4
206.05606	8.9
207.02963	1.8
208.03821	2.2
209.04486	0.9
221.08192	7.0
222.05304	0.8
222.08582	0.8
223.06120	52.7
224.06496	3.2
237.07693	2.8
238.08226	0.5
250.04787	1.5
251.05461	1.7
265.07156	23.2
266.07486	2.6
281.06714	1.2
295.08115	3.7
313.11389	1.0
325.09213	4.6
341.08820	1.2
367.10355	2.3
385.11240	1.4
457.13431	1.2
519.17139	100.0
520.17444	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
61.98834	100.0
71.19709	1.0
71.56914	0.4
78.95910	9.5
81.95872	0.4
133.51001	0.5
138.92445	0.5
152.99602	11.6
284.31885	0.5
363.03366	0.5
431.22073	3.3
432.22571	0.7
483.31693	1.1
518.32367	5.1
519.27057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52488	0.2
59.01381	1.8
61.98833	100.0
64.02940	0.2
68.02348	0.3
71.62701	0.6
83.62125	0.3
89.85150	0.3
93.59473	0.3
121.56721	0.3
127.75751	0.3
202.83646	0.3
212.96089	0.3
244.72096	0.3
269.24918	1.2
271.22433	0.3
455.35306	34.4
456.35651	6.5
465.59045	0.3
519.31458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.9
61.98834	100.0
71.01394	1.0
71.33229	0.3
71.71207	0.5
73.02970	0.4
81.16248	0.3
85.02989	0.6
89.02459	0.8
101.02479	0.6
107.31585	0.4
110.08417	0.3
162.63254	0.3
174.21477	0.3
179.14360	0.4
217.97299	0.3
304.56570	0.4
319.73019	0.4
411.03174	0.4
455.26477	7.8
455.32309	0.6
456.26898	1.4
456.32587	0.8
457.33063	0.6
458.33853	0.5
474.33109	0.7
479.40210	0.4
485.32962	0.5
517.31848	0.4
518.19910	0.5
518.32263	5.7
519.32068	1.9
536.33026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
61.98830	100.0
62.98528	0.2
69.45003	0.6
69.45434	1.0
71.05038	0.6
82.44529	0.1
83.06348	0.2
98.20576	0.4
103.55328	0.1
110.86831	0.1
119.79517	0.2
237.78165	0.2
285.72913	0.1
421.31192	0.2
423.27960	0.2
424.29300	0.3
442.30573	0.8
445.33319	0.3
457.33411	0.4
472.31671	0.2
473.32864	0.4
474.32883	0.7
475.33762	0.2
485.32892	1.0
486.29425	0.3
489.32294	0.9
501.32205	0.5
517.31580	1.3
518.32025	12.0
519.33185	8.3
529.31543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.7
61.98833	100.0
62.48646	0.3
71.26378	0.6
71.26716	0.6
78.95911	39.5
96.96981	4.7
138.20242	0.4
150.98036	1.3
152.99609	70.3
153.99951	1.4
171.00665	7.6
221.59685	0.4
225.84003	0.5
242.05698	0.4
255.44598	0.4
277.21796	0.9
337.23895	0.4
370.75400	0.4
431.22083	17.2
432.22409	2.1
444.27551	0.8
483.31110	1.1
517.34692	0.5
518.24994	4.1
518.32013	4.4
519.32526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32190	0.1
56.78984	0.1
59.01385	1.4
61.98841	0.8
61.99097	0.1
62.96413	0.2
66.67552	0.2
71.04625	0.4
78.95911	45.8
79.73679	0.2
96.96976	6.0
98.75230	0.1
139.24182	0.1
150.98077	1.3
152.99611	100.0
153.99940	2.1
156.13724	0.1
171.00661	4.7
194.82466	0.2
198.36638	0.2
210.21175	0.1
212.88425	0.2
221.31592	0.2
240.02774	0.2
269.72195	0.1
272.84601	0.2
277.21719	0.7
345.26080	0.2
431.22055	22.6
432.22388	3.7
517.34546	0.3
518.25177	4.6
518.33435	0.6
519.25623	1.1
542.24042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3538
Annotation	Hippuristerone H
Peak:m/z	Relative Intensity
57.03464	0.3
59.01377	2.8
60.99311	6.9
61.98833	2.6
71.70882	0.3
111.04535	0.5
178.79106	0.2
180.48654	0.3
263.15842	0.3
302.77841	0.3
320.29782	0.3
393.31580	3.3
394.31992	0.8
423.32956	1.3
441.33643	1.0
453.33838	0.5
471.34811	0.5
517.35345	100.0
518.35693	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01722	1.1
60.99326	0.8
61.98835	15.2
64.83564	0.4
69.44489	0.4
71.70839	0.6
75.15725	0.4
78.95914	5.2
80.11060	0.4
82.98360	0.4
85.12271	0.5
86.51266	0.4
87.04552	0.4
96.96997	0.8
121.02966	0.4
133.70822	0.4
151.85556	0.4
152.99617	8.6
153.09238	0.4
171.00685	1.6
178.19760	0.4
178.30478	0.5
210.73921	0.4
211.59918	0.4
221.31795	0.4
222.01053	0.4
225.83946	0.3
393.24344	0.4
423.29022	5.9
424.29449	1.1
431.21909	2.2
437.30615	0.7
455.31784	0.8
455.38132	0.4
469.87119	0.4
473.32275	0.5
499.30273	0.6
517.31586	15.1
518.25531	0.6
518.31927	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	517.3172
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
53.80062	0.4
57.03443	1.3
59.01382	16.9
60.99305	1.2
61.98836	17.1
71.01375	0.8
71.05022	0.9
71.70342	0.4
71.70715	0.6
73.02967	0.7
81.03468	0.5
87.04520	0.9
99.04547	0.5
121.02997	0.6
187.56480	0.4
295.22778	0.6
331.72165	0.4
354.76270	0.4
367.29999	0.6
439.32361	2.1
443.28073	0.6
455.31766	5.1
456.32010	1.0
471.31274	0.9
473.32779	3.2
474.33151	0.6
485.29010	0.8
486.29156	0.4
494.10873	0.4
496.95523	0.4
499.30692	0.6
517.31708	100.0
518.32074	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	517.3171
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
51.83057	1.0
53.76802	1.2
56.30639	0.9
57.03440	3.3
59.01088	1.7
59.01384	32.7
60.99028	1.0
60.99314	5.8
61.98840	14.1
71.01403	4.9
71.04733	0.8
71.05029	9.2
71.19044	2.6
72.99345	1.2
73.02923	1.5
78.74328	0.9
83.05052	1.6
109.06573	1.3
117.47112	1.0
121.02968	1.1
121.06627	1.2
123.08115	1.3
129.53426	1.0
137.47409	1.1
139.00031	0.9
171.00569	1.5
192.32240	0.9
233.11847	1.5
243.17384	1.2
245.19290	1.2
259.92343	0.9
261.18881	1.2
293.22855	1.2
303.19766	1.1
315.19580	1.6
321.20682	2.3
371.25809	1.2
379.30338	1.3
385.25189	2.0
385.41574	1.0
391.26447	2.4
403.26410	13.5
404.26712	2.1
405.28055	24.2
406.28195	4.6
421.27231	1.5
423.29077	23.9
424.29291	3.9
437.30356	1.5
439.28406	2.2
441.30154	17.1
442.30380	3.1
455.31769	6.8
456.32227	1.2
462.77774	1.1
467.28101	22.4
468.28210	3.6
471.30768	9.2
472.31299	1.5
473.32492	3.4
483.30930	1.9
485.29092	51.8
486.29315	9.6
499.30661	22.2
500.31265	4.7
517.31598	100.0
518.32117	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	517.317
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
57.53648	0.2
59.01384	1.0
60.99295	0.2
61.98836	2.1
68.10901	0.2
70.14254	0.4
70.14625	0.8
71.05022	1.0
83.05019	0.3
89.12978	0.1
108.71629	0.2
123.08180	0.4
189.12852	0.5
217.25603	0.2
239.67944	0.2
323.23633	0.2
375.26935	0.3
377.28488	1.3
378.28644	0.3
379.26270	1.0
380.26956	0.2
395.29593	1.0
396.29895	0.2
413.30667	0.3
421.27597	2.5
422.27783	0.2
425.30841	0.2
429.33716	0.8
430.34409	0.2
439.28528	9.3
440.28937	2.0
443.31833	0.2
455.31668	18.0
456.31967	3.8
473.32761	6.9
474.33035	1.3
487.30682	0.7
488.30917	0.3
499.30707	2.6
500.31265	0.5
517.31696	100.0
518.32031	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	517.317
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
54.38144	0.2
54.81908	0.2
57.03448	0.6
58.00600	1.3
59.01381	1.7
60.99295	0.5
61.98829	1.7
70.57908	0.8
71.01385	0.7
71.05021	0.6
73.02951	10.9
80.04329	0.2
83.07218	0.2
83.52378	0.2
85.02951	0.6
87.04505	0.2
101.06104	0.2
113.90246	0.2
118.85139	0.2
165.77704	0.2
353.24930	0.3
355.26361	0.5
367.26407	0.6
381.28220	0.2
395.29129	0.2
405.27884	0.4
411.28903	0.2
423.29037	0.3
425.30768	0.3
439.28119	0.2
441.29953	1.4
443.31943	1.4
444.32013	0.4
455.31781	1.4
456.31946	0.3
471.31400	0.3
473.32706	3.4
474.33328	0.5
485.28876	0.8
487.30728	0.4
488.30734	0.2
499.30664	0.7
517.31677	100.0
518.32037	21.6
543.89795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.317
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
59.01380	2.6
61.98836	7.8
67.05399	0.2
70.58373	0.9
71.01350	0.3
71.05032	6.2
71.05436	0.4
83.05033	0.4
91.00774	0.2
100.58738	0.3
108.85596	0.2
130.67599	0.2
147.04518	0.7
165.05527	0.6
207.06642	0.5
218.90694	0.3
329.13617	0.3
341.24832	0.6
393.27982	0.4
395.29752	0.5
405.17697	0.3
414.31863	0.3
421.31332	0.3
423.28906	0.6
437.31018	0.3
439.28088	0.6
441.30090	9.0
442.30505	1.6
455.31500	0.3
471.31598	1.4
473.32858	10.0
474.33151	1.7
483.31177	0.9
485.29074	11.2
486.29288	2.3
499.30673	0.7
517.31683	100.0
518.32007	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	517.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07750	0.2
59.01381	3.2
60.99304	0.7
61.98830	1.5
70.26672	0.5
70.27065	0.4
75.44749	0.2
78.95909	1.1
81.81260	0.2
85.06586	0.4
97.06615	0.3
104.32994	0.2
106.67271	0.2
107.60764	0.2
117.70139	0.2
123.08193	0.5
135.08150	0.3
152.99614	2.0
175.11366	0.3
189.12817	0.7
220.01947	0.2
280.17880	0.2
355.29999	0.2
377.28522	6.2
378.28723	1.0
383.32834	0.3
391.30087	0.6
393.31659	8.2
394.32034	1.3
395.29385	0.2
409.31079	0.3
411.32779	2.8
412.32825	0.4
425.30542	0.8
429.33725	2.3
430.33771	0.5
431.22101	0.8
437.30762	1.0
439.28400	1.1
440.28769	0.2
455.31717	3.4
456.31900	0.9
466.54108	0.2
473.32730	3.1
474.32974	0.6
487.29520	0.2
499.30600	0.3
514.14148	0.2
517.31671	100.0
518.32019	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26226	0.2
51.81052	0.2
57.03463	0.3
58.00595	0.4
59.01381	100.0
60.01712	1.2
61.98834	18.8
69.03454	0.4
71.01386	13.3
71.71738	0.4
71.72130	0.3
72.99319	0.7
73.02954	4.0
75.00880	0.6
79.95757	0.5
83.01396	2.0
85.02957	3.1
87.00901	1.0
88.98848	0.8
89.02454	12.2
89.61124	0.2
95.01411	1.0
97.02995	0.3
99.00929	0.5
101.02457	10.5
111.00903	0.9
111.11134	0.3
113.02464	9.4
119.03514	5.6
119.05045	0.8
120.03869	0.3
125.02518	0.6
129.01990	0.5
129.10376	0.5
131.03551	1.4
133.02992	1.3
134.03792	0.5
134.06116	0.3
135.04544	1.4
137.02501	0.4
143.03537	2.1
148.05344	0.3
149.04585	1.7
155.08203	0.3
160.01747	0.7
161.02496	2.8
161.04567	4.3
163.04083	1.2
164.04614	0.2
175.04025	0.4
177.05563	0.3
179.03690	1.2
179.05640	4.6
179.07176	0.3
180.06703	1.0
182.47154	0.2
193.05092	0.4
193.06657	0.4
203.10786	0.3
209.06744	1.0
214.01761	0.3
221.04773	0.4
221.06802	0.9
245.09401	0.4
249.16115	0.4
258.44083	0.3
281.06818	0.5
341.08841	0.3
371.10193	0.8
389.11914	0.3
397.22391	0.3
415.23358	0.3
438.15701	0.3
457.24805	0.9
517.27594	1.9
518.11072	2.3
518.26984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
58.00597	0.8
59.01379	0.9
60.99310	5.7
61.98834	0.4
69.53658	1.2
71.01014	0.2
71.01389	0.6
72.99329	0.2
73.02942	0.7
78.95914	0.9
84.02184	0.7
85.02952	0.4
97.02972	0.3
117.55605	0.2
152.99611	1.4
161.09767	0.4
220.18422	0.2
250.09846	0.1
333.22372	0.2
337.25272	0.3
339.26935	0.4
349.25418	6.1
350.25613	1.3
351.27017	0.5
363.27176	0.2
365.25134	0.2
365.28497	1.2
366.28995	0.2
367.26416	21.2
368.26740	3.4
377.28333	0.3
379.30084	0.6
383.29565	0.6
385.27524	0.3
395.29608	1.4
396.29718	0.2
409.27704	0.3
423.29062	1.4
424.29337	0.3
431.21841	0.9
441.30191	1.7
442.30460	0.2
455.31662	6.0
456.31921	0.8
471.31055	0.4
472.31604	0.1
487.30630	0.2
499.30887	0.2
507.02179	0.1
517.31677	100.0
518.32031	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	517.317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.6
61.98834	0.9
64.33289	0.2
64.66631	0.3
69.39143	2.2
69.65521	0.2
98.20633	0.5
106.13367	0.2
138.89679	0.2
144.96320	0.2
150.48654	0.2
159.93709	0.2
223.71428	0.2
247.37160	0.2
343.79257	0.2
392.26920	0.3
397.27490	1.5
409.27811	1.0
427.28738	0.9
428.28754	0.2
441.26584	0.3
460.28247	1.0
471.31024	2.0
472.31619	0.4
493.22055	0.2
517.31519	1.2
518.32452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.4
59.01379	100.0
60.01725	0.9
61.98833	21.1
69.03472	0.3
70.37308	0.3
71.01385	12.7
71.43208	0.6
71.51063	0.3
72.01778	0.3
72.99310	0.8
73.02953	4.5
74.51048	0.3
75.00888	0.5
79.95763	0.5
83.01407	1.9
85.02946	2.8
87.00906	0.8
88.98828	0.8
89.02453	12.0
92.86352	0.3
95.01432	1.0
99.00893	0.5
101.02454	9.8
111.00906	0.8
113.02469	7.6
113.03249	0.6
119.03519	5.2
119.05029	0.9
125.02472	1.0
129.10371	0.5
131.03578	1.0
133.02977	0.7
135.04593	1.7
140.43355	0.3
143.03529	2.3
145.02972	0.3
148.07715	0.4
149.04610	1.4
149.06129	0.3
161.02492	2.6
161.04561	4.6
163.03981	0.5
175.03940	0.6
179.03517	0.6
179.05624	4.5
180.06691	0.6
190.05122	0.4
193.05060	0.5
205.05234	0.4
209.06743	0.7
221.06653	0.8
231.10347	0.6
242.18701	0.6
245.09529	0.4
247.45598	0.3
256.24377	0.4
269.43378	0.4
308.12592	0.5
342.77655	0.5
371.09714	0.6
380.42166	0.4
415.23627	0.4
431.26535	0.4
457.24539	0.5
469.98669	0.4
517.27313	5.1
518.11060	1.8
518.27258	1.2
535.78400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.0
57.03444	2.0
58.00600	2.4
59.01382	97.1
60.63523	0.7
61.98837	5.3
62.22880	0.7
69.03454	5.7
69.41062	6.2
69.41476	1.4
71.01391	87.7
72.01748	1.8
72.99328	3.2
73.02953	6.1
80.26398	0.6
81.03465	3.4
81.77498	0.7
83.01381	5.5
85.02969	10.4
87.00890	4.7
89.02458	100.0
90.02825	1.6
90.83356	0.7
95.01400	2.3
97.02956	6.3
99.00912	2.3
101.02460	19.6
102.05636	0.8
102.23962	0.7
108.04551	5.6
111.00940	4.4
113.02466	15.3
115.04011	1.6
119.03535	3.3
125.02468	28.2
126.02795	1.0
131.03531	26.9
132.03896	0.9
133.02959	4.3
135.04553	2.2
139.04054	1.2
143.03531	2.1
146.04626	0.9
148.05334	43.9
149.04585	35.7
149.05675	1.7
150.05641	2.2
161.02470	13.0
163.07671	17.0
177.05614	1.0
179.03572	1.7
179.93867	0.8
187.07692	0.9
191.05634	10.5
225.47220	0.7
233.06689	4.5
286.07242	0.8
293.08801	67.5
294.09052	4.5
323.07718	5.2
342.52127	0.8
356.16714	1.0
368.34113	0.8
402.30469	0.8
474.13998	6.1
479.04745	0.9
517.18481	1.0
518.11218	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	516.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64735	0.2
59.01381	1.5
61.98835	100.0
62.41354	0.2
62.98546	0.3
84.21867	0.2
88.97919	0.2
98.20734	0.5
102.01680	0.2
112.39914	0.2
147.17986	0.2
202.43382	0.2
206.23199	0.2
238.89209	0.2
439.28964	0.2
443.31799	0.3
455.32147	0.4
472.31668	0.3
473.32962	0.4
487.30792	0.6
515.30261	0.6
516.30627	1.6
517.20221	0.4
517.31799	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	517.004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24648	0.2
57.28165	0.2
59.01380	67.4
60.01710	0.6
61.98833	1.4
62.98494	0.3
72.99306	0.3
75.96303	0.3
90.97141	1.0
114.98888	0.5
118.96667	0.4
132.98235	2.4
156.99985	1.6
157.03537	0.6
159.01506	0.8
174.99263	27.5
175.99588	0.7
192.95834	0.3
201.02563	10.0
202.02747	1.2
217.00307	100.0
218.00635	4.0
238.30934	0.3
248.30417	0.2
314.98895	0.6
332.98126	0.5
343.03641	0.4
359.01456	13.9
360.01776	1.6
374.99222	60.3
375.99515	4.3
457.00275	0.5
517.00647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1351
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
53.78746	0.2
58.00589	0.2
59.01381	8.1
60.12725	0.2
61.98832	7.2
62.57622	0.2
67.60242	0.2
70.70309	0.2
71.01381	1.8
71.05020	0.4
71.22125	0.2
71.53515	0.4
71.53882	0.2
73.02956	0.5
73.90876	0.2
75.00887	0.4
83.01411	0.2
85.02941	1.1
87.00902	0.5
88.98825	0.4
89.02459	0.7
89.03986	0.4
95.01431	0.3
99.00900	0.6
100.69355	0.2
100.70892	0.2
101.02463	1.2
102.27620	0.2
105.03468	0.3
107.05071	0.2
109.02969	0.3
111.00928	0.4
113.02474	1.6
117.03499	0.8
119.03493	0.3
119.05031	0.5
121.02855	0.2
123.04546	0.3
125.02448	0.3
132.02202	2.4
133.02977	30.1
134.03827	4.0
135.04546	12.9
135.05592	0.3
136.04893	0.6
137.02454	0.4
147.04526	0.6
148.05299	0.5
149.06100	1.7
159.04523	0.2
160.01666	2.8
161.02463	100.0
162.02792	4.9
163.03949	0.3
163.07661	0.3
165.05672	0.2
175.02510	0.3
175.04019	3.7
176.04761	1.6
177.05620	1.9
178.02705	0.6
179.03513	16.4
180.03882	0.8
191.07175	1.5
192.04454	0.2
193.05060	2.7
194.05434	0.3
194.08990	0.2
194.10645	0.2
202.04906	0.2
203.03531	2.4
204.04027	0.4
207.06656	0.6
209.06677	0.2
216.42392	0.2
220.03708	0.4
221.04572	2.1
231.10033	0.3
235.06116	2.3
249.06146	0.4
251.05585	2.2
252.05937	0.3
265.07202	0.9
267.06888	0.2
267.16052	0.4
281.06653	2.7
295.08298	1.0
323.07724	4.6
324.08069	0.4
337.09302	1.5
338.09454	0.2
341.08765	4.6
342.08984	0.4
355.10373	0.4
381.80914	0.2
383.19257	0.2
394.55408	0.2
397.22577	0.3
457.11401	0.4
517.13434	11.9
517.22662	2.5
517.29968	0.5
518.13483	2.2
518.23132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
60.99309	3.8
61.98831	0.6
70.91602	0.3
70.91973	0.4
84.69649	0.2
167.42091	0.2
178.42390	0.2
224.04910	0.2
271.20621	0.4
295.17538	0.3
295.20627	1.2
349.74725	0.2
363.26877	2.4
364.27338	0.3
385.23926	0.4
391.30112	4.1
392.30530	0.6
409.31360	0.3
421.31186	0.2
435.29269	0.2
439.32205	0.7
515.33759	100.0
516.34113	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.338
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
57.79705	0.2
59.01390	1.2
60.99300	0.4
61.98828	0.8
82.75417	0.1
92.05505	0.2
97.06631	0.2
97.19195	0.1
118.73472	0.2
167.74788	0.1
190.49672	0.2
290.90714	0.2
392.26843	0.1
393.31741	0.4
421.31201	1.5
515.33783	100.0
516.34125	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3377
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
59.01373	0.4
61.98822	1.3
63.43291	0.2
70.92664	0.6
81.84284	0.2
83.59447	0.2
92.99509	0.2
98.05547	0.2
108.22081	0.2
132.41617	0.2
162.17773	0.2
176.18893	0.2
203.55098	0.2
245.31839	0.2
394.66766	0.2
442.24545	0.2
483.03827	0.2
515.33752	100.0
516.34106	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3377
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
59.01370	0.5
60.99310	6.7
61.98833	1.4
69.66454	0.3
69.66856	1.0
71.97408	0.1
73.02950	0.4
83.05034	0.3
84.31194	0.1
90.04243	0.1
94.14195	0.2
111.04467	0.1
129.39226	0.2
142.88107	0.1
197.57568	0.1
289.14792	0.2
296.14734	0.2
359.27689	1.0
360.28091	0.2
363.26791	0.2
365.28555	0.8
375.30582	2.9
376.31052	0.7
377.28613	0.2
393.31863	0.2
397.47791	0.1
409.31055	0.6
421.31195	0.4
422.31436	0.2
423.28986	0.6
437.30899	0.8
439.32190	5.6
440.32574	1.1
441.33722	3.6
442.34109	0.7
453.29910	0.2
455.31873	0.2
467.31662	0.3
469.33102	0.4
485.32715	8.9
486.33063	1.9
515.33746	100.0
516.34106	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3379
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
50.70636	0.1
59.01387	0.2
61.98824	0.3
65.98779	0.1
69.40678	0.1
71.19237	0.2
71.19547	0.2
111.22660	0.1
127.01601	0.1
141.34779	0.1
145.15732	0.1
145.37149	0.1
167.16055	0.1
400.90463	0.1
406.11865	0.2
409.31238	0.3
514.57001	0.1
515.33783	100.0
516.34131	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	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16604	0.1
57.03436	0.4
58.86485	0.1
59.01377	2.0
60.99310	6.8
61.98837	1.7
71.28698	0.3
74.48712	0.1
83.05033	0.6
87.99422	0.1
89.13525	0.1
95.51684	0.2
103.46985	0.2
111.04545	0.4
131.08656	0.2
144.76524	0.1
165.65556	0.1
203.48042	0.1
230.68358	0.2
345.25891	0.2
349.25449	0.4
359.27441	3.1
360.27826	0.4
365.28534	1.5
366.28915	0.4
373.25400	0.2
375.30618	9.5
376.31055	2.0
379.26007	0.2
389.28699	0.2
391.26141	0.4
391.30157	0.4
393.27451	0.2
393.32101	0.8
403.30136	0.5
407.29684	0.4
421.31210	1.4
422.31699	0.2
439.32135	1.8
440.32574	0.4
469.33124	0.2
483.30933	0.2
487.13113	0.1
515.33752	100.0
516.34113	21.5
525.35492	0.2
533.34717	1.7
534.35071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24536	0.1
57.03445	0.2
58.00592	0.3
59.01374	2.6
60.99307	8.2
61.98840	0.7
71.29696	0.3
73.02954	0.4
78.17586	0.1
83.05028	0.3
114.30163	0.1
200.52299	0.1
217.87416	0.1
349.25363	0.2
359.27463	1.3
360.27710	0.2
365.28464	1.1
366.28961	0.2
367.26425	0.2
375.30545	4.5
376.31113	1.0
379.26617	0.2
388.83002	0.2
391.26007	0.3
393.31702	0.6
403.30200	0.3
421.30969	0.5
422.31662	0.2
439.26398	0.3
439.32211	5.0
440.32581	1.3
453.29541	0.3
469.33102	0.7
515.33734	100.0
516.34100	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3374
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
59.01372	0.6
60.99306	0.8
61.56154	0.1
61.98836	1.0
62.81640	0.2
65.37350	0.1
84.70420	0.2
99.65948	0.1
109.06608	0.2
130.90385	0.2
157.10307	0.2
175.11288	0.4
209.73604	0.1
217.16064	0.2
257.19083	0.4
323.23767	0.7
325.21490	0.2
357.25696	0.3
359.27490	0.3
373.29169	0.4
375.26788	0.9
387.27066	0.2
389.28384	1.3
390.29047	0.2
391.30020	3.0
392.30392	0.8
393.31693	1.3
403.25525	0.3
403.30643	1.2
404.30804	0.2
411.32635	0.5
419.29541	5.5
419.35178	0.4
420.29950	1.0
421.26196	0.2
421.31586	2.0
422.31250	0.5
435.28958	0.9
437.30313	1.2
438.31015	0.2
439.32233	1.4
440.32547	0.4
451.32318	0.9
453.33752	2.2
454.33917	0.5
465.30255	0.5
469.33047	0.2
471.34854	0.6
472.35394	0.3
497.32788	1.5
498.33041	0.3
515.33746	100.0
516.34106	21.7
516.42285	0.3
522.88422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69241	0.6
57.03455	0.6
59.01379	7.0
60.99308	6.6
61.38190	0.5
61.98830	3.1
69.43021	5.4
71.05035	0.7
75.18043	0.5
83.90604	0.4
85.35000	0.4
95.05003	0.5
142.62956	0.5
165.82991	0.6
243.17513	0.6
340.20407	0.6
365.28448	2.2
377.28448	6.7
378.28265	0.7
393.27615	1.3
393.31924	5.0
394.32053	0.7
409.31174	2.2
421.31323	7.2
422.31332	1.5
423.29007	0.6
425.30618	2.5
426.30933	0.6
427.32101	2.0
437.30634	1.2
439.32458	1.0
443.31567	1.0
453.29871	6.4
454.30380	1.1
471.24283	0.4
471.30988	10.5
472.31476	1.6
483.30911	1.6
484.32025	0.6
497.29108	0.8
515.30481	100.0
515.33362	91.0
516.30682	20.6
516.33441	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3011
Annotation	Adynerin
Peak:m/z	Relative Intensity
57.03450	0.2
59.01377	3.2
60.99307	0.5
61.98829	1.2
71.01394	0.4
71.05035	1.1
71.08961	0.3
71.09300	0.3
72.99315	0.2
83.05038	1.6
85.02968	0.3
87.00879	0.2
97.06619	0.3
99.00855	0.2
101.45486	0.2
111.08150	0.9
113.02449	0.5
123.08168	0.9
125.06226	0.2
151.71889	0.2
162.35181	0.2
189.12866	0.3
189.99080	0.2
230.36380	0.2
249.06142	0.6
293.21371	0.2
306.07025	0.2
379.30072	0.3
393.27908	0.3
395.29529	0.6
409.31476	0.3
411.29144	0.3
423.29175	2.1
424.29453	0.3
425.30692	1.0
437.27216	0.6
439.28497	1.5
440.28531	0.3
441.30170	4.2
442.30347	0.6
443.31641	0.4
453.30103	2.0
454.30579	0.4
467.27945	0.4
469.29578	0.3
471.25906	0.3
471.31244	2.9
472.31689	0.6
485.29062	9.5
486.29483	1.9
487.30847	0.3
515.30115	100.0
516.30487	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	515.3014
Annotation	Adynerin
Peak:m/z	Relative Intensity
55.94794	0.2
59.01377	2.3
61.95748	0.2
61.98812	0.5
64.92278	0.2
71.05070	1.1
73.01653	0.2
101.06088	5.0
106.97641	0.2
110.47887	0.3
122.28748	0.2
138.52611	0.2
139.12511	0.2
179.99098	0.2
197.19011	0.3
214.13651	0.2
287.22342	1.4
341.24933	0.4
360.13342	0.3
379.14102	0.2
391.26620	0.4
393.27975	0.6
395.29495	0.2
421.27209	0.3
469.29636	1.5
470.29782	0.5
471.31165	19.7
472.31476	3.9
485.82855	0.2
515.30042	100.0
516.30402	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14588	0.5
52.78366	0.5
57.03451	57.6
58.03778	1.4
59.01387	3.9
61.98817	1.6
71.01380	1.6
81.03471	0.8
83.01402	1.0
85.02964	1.3
87.00897	0.6
89.02446	0.6
93.03519	0.9
95.05126	0.4
99.00867	0.7
99.04537	34.1
100.04868	1.1
101.01788	0.7
101.02453	10.2
105.03465	1.5
111.00889	0.8
113.02451	1.1
121.02996	0.5
125.02467	14.2
126.02784	0.6
129.01988	1.4
133.02943	1.3
137.02452	0.8
143.03532	0.8
149.02473	0.9
151.04047	4.0
161.02467	22.2
162.02817	0.9
164.04842	0.7
165.05571	1.3
174.01682	0.5
175.04001	0.5
176.04816	14.2
177.05150	0.9
179.03519	36.8
180.03862	2.7
191.07173	5.7
192.07465	0.6
194.05862	39.8
195.06287	2.8
205.05072	0.6
208.03789	0.8
209.08208	100.0
210.08539	7.2
223.06157	2.9
241.05090	0.6
271.09592	0.5
366.90192	0.5
385.11731	1.2
427.03143	0.5
515.18457	3.2
516.16919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90088	0.6
57.03465	0.8
57.40139	0.6
59.01381	57.3
60.99302	3.6
61.98817	3.3
63.93466	0.6
65.90762	0.7
69.03475	1.9
83.05042	0.7
83.43601	0.7
89.83427	0.7
91.83054	0.6
100.63060	0.6
135.08209	1.2
170.80145	0.7
301.04727	0.8
352.82840	0.6
421.27222	0.8
425.30823	1.1
427.32156	12.3
428.32391	2.4
437.30753	0.8
451.32306	0.8
453.30142	2.6
469.29309	3.6
471.31030	12.7
472.31519	2.7
515.30524	100.0
516.30756	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97353	0.6
57.03449	59.0
58.03778	1.5
59.01389	4.7
61.98832	2.8
71.01395	3.0
71.43298	1.1
73.02962	0.7
75.00878	0.8
80.08702	0.5
81.03473	1.6
83.00972	0.6
83.01383	2.9
85.02955	1.8
87.00883	1.0
89.02454	1.4
91.68919	0.5
93.03448	1.1
99.00905	1.1
99.04533	35.7
99.92595	0.5
100.04865	1.4
101.02457	12.9
105.03463	1.3
113.02449	2.7
121.03047	0.9
125.02467	17.8
127.00388	1.2
129.01964	1.5
133.02974	1.9
134.03751	2.1
135.04533	0.9
136.01677	2.0
137.02449	1.0
143.03505	1.2
147.04541	2.0
147.06618	0.9
149.02469	1.8
149.06126	1.0
150.03244	7.0
151.00414	2.4
151.04044	5.7
156.97502	0.5
160.01732	0.8
161.02466	28.2
162.02824	1.2
164.04852	0.6
165.05589	9.3
166.05946	0.8
167.03540	0.8
169.01492	1.3
175.02538	0.6
175.04027	2.2
176.04810	23.3
177.05176	1.4
179.03516	34.8
180.03912	1.9
189.05611	0.7
191.07161	9.2
192.07420	1.0
194.05855	29.9
195.06558	5.6
209.08203	100.0
210.08513	7.0
213.05521	0.9
235.06348	0.6
241.05031	3.8
243.25188	0.6
256.07401	2.3
267.07269	1.2
271.09714	7.3
272.10010	1.0
299.09341	0.9
305.08771	0.6
319.11963	0.9
335.06870	0.6
427.16269	0.8
452.15308	1.5
467.17300	2.6
515.17035	10.5
516.18500	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	513.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
60.99312	8.1
69.45875	4.9
91.72845	0.5
239.21809	0.4
252.11526	0.6
288.92303	0.5
292.70432	0.6
295.20694	2.0
363.26996	2.8
373.29065	1.2
391.30197	6.5
392.30392	1.2
409.31311	0.5
419.29840	2.7
420.29504	0.7
437.30676	3.8
438.30896	1.0
453.33801	1.3
513.32709	97.8
513.35510	100.0
514.32880	21.0
514.36011	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3582
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
58.90936	0.3
59.01385	0.6
60.99310	8.0
71.43007	0.7
86.65541	0.3
92.55022	0.3
127.68270	0.3
157.29933	0.3
295.20724	1.5
363.27066	2.0
373.28967	0.7
391.25632	0.5
391.30118	5.6
392.30450	1.0
394.59451	0.3
409.31192	0.9
413.57434	0.3
419.29910	2.0
420.29858	0.9
437.30676	3.6
438.31122	0.7
453.33987	1.5
513.32935	87.3
513.35535	100.0
514.32983	21.0
514.35986	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3584
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
50.05759	0.2
55.86659	0.1
56.08192	0.1
59.01383	0.2
59.04819	0.1
61.98835	0.4
67.60293	0.1
70.46466	0.6
85.78970	0.2
111.79530	0.1
113.84620	0.1
137.03549	0.1
162.85530	0.2
308.62982	0.1
421.27786	0.4
453.33813	4.3
454.34125	1.2
469.33264	0.3
513.35846	100.0
514.36176	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	515.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
57.96640	1.6
58.02968	2.4
59.01380	47.8
68.88168	1.6
71.01387	41.8
71.70239	3.5
72.99318	3.8
73.02960	6.6
75.00891	4.0
82.96891	1.7
83.01407	1.7
84.76973	1.8
85.02956	61.8
87.00880	5.7
88.04053	4.6
89.02450	42.4
93.03487	6.2
95.01384	2.4
97.32455	1.7
99.00889	5.8
100.07705	4.6
101.02448	19.0
103.00375	14.6
111.00914	4.5
111.04543	4.1
112.98834	12.0
113.02467	16.5
115.00330	2.7
119.03513	17.2
128.07172	3.2
129.01976	40.7
130.05103	5.7
131.03503	3.5
131.08260	2.3
133.01439	3.3
136.38037	1.5
137.02519	3.1
142.99879	12.5
143.03540	3.5
145.01418	2.4
149.04570	2.9
155.03561	2.3
158.08226	3.9
161.04514	3.5
162.18788	1.7
172.06161	12.8
172.99422	2.5
173.00935	45.5
173.04529	16.1
173.06499	5.6
173.09297	4.0
174.01265	2.0
174.07721	66.6
175.02449	3.3
179.05614	21.8
180.06070	1.6
213.85146	1.7
268.28326	1.6
321.31592	1.7
335.13531	3.6
341.10910	100.0
342.11191	6.8
377.08572	3.1
379.08331	4.5
392.14709	1.8
528.25201	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3222
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
55.46487	0.1
55.70081	0.1
59.01394	0.1
59.30672	0.1
59.31334	0.1
60.36937	0.1
60.99300	0.4
61.98817	0.1
62.12555	0.1
63.87801	0.1
65.56061	0.1
70.73251	0.1
70.73602	0.4
71.05049	0.2
77.74785	0.1
83.23296	0.1
95.05048	0.8
105.99805	0.1
127.07672	0.4
135.08180	0.2
150.22021	0.1
244.25540	0.1
301.17780	0.1
385.40628	0.1
401.27063	0.5
419.29675	0.2
437.31268	0.1
469.33298	1.1
513.32178	100.0
514.32544	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44702	0.3
60.99300	1.5
71.48092	0.9
78.07755	0.3
80.38475	0.4
91.90409	0.4
382.73468	0.4
391.30139	1.1
437.30670	0.9
467.31705	2.4
468.32126	0.6
469.33304	11.6
470.33530	1.7
513.32190	100.0
514.32556	23.6
514.40564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
59.75483	0.2
60.99310	8.1
61.98837	0.2
64.48108	0.1
69.46764	1.5
91.69572	0.1
105.32029	0.1
109.80321	0.1
114.15212	0.1
125.04655	0.1
219.13959	0.3
238.95447	0.1
271.20605	0.2
295.20703	1.3
361.25626	0.2
363.26962	2.5
364.27277	0.5
373.28909	0.6
374.29462	0.3
391.30109	5.4
392.30545	0.7
401.28302	0.2
409.31186	1.0
410.31424	0.2
419.29648	2.5
420.29919	0.4
437.30676	2.9
438.31039	0.4
445.55743	0.2
467.31613	0.4
513.32166	100.0
514.32526	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	513.3083
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
57.74578	0.5
58.02976	2.8
59.01380	4.3
59.08631	0.6
61.02502	0.5
61.98838	10.8
66.03481	0.7
67.01908	0.5
67.37307	0.5
71.01396	1.4
72.99338	0.7
74.42869	0.5
75.00881	0.7
80.05059	1.5
82.06641	1.2
84.08217	0.6
85.02969	0.8
87.00916	0.6
93.03484	3.0
95.02544	0.6
95.05093	0.5
109.02934	0.6
111.02049	2.7
113.02460	1.1
119.05053	3.2
120.04551	0.7
121.02253	0.5
121.02984	3.5
124.02821	1.6
129.10353	8.2
130.08798	0.8
133.05356	19.6
134.06151	51.8
135.06548	2.7
137.02449	0.6
138.07997	1.0
139.08797	2.6
140.07208	2.2
145.55336	0.5
148.04086	0.7
153.06729	2.6
153.10307	0.9
154.08762	2.2
155.08282	1.8
160.04063	6.9
164.07181	1.7
166.07495	2.1
167.08238	1.3
169.09811	0.7
171.11452	3.4
176.07187	1.0
178.05034	0.8
179.15578	1.8
181.09833	2.5
186.64876	0.5
195.15016	2.3
197.16586	5.2
204.13930	1.4
206.11893	2.4
207.07840	0.9
216.05455	3.0
220.13469	0.9
223.14532	14.6
224.14883	1.3
228.10323	1.5
230.11929	2.1
230.15820	0.7
231.15103	0.6
243.07759	1.2
245.12970	4.5
246.13420	0.7
247.14523	55.8
248.14883	5.4
257.12915	1.0
264.17136	0.6
265.15555	0.6
267.07242	1.9
272.11713	0.8
273.12375	5.8
274.12823	0.9
287.13974	0.9
289.15598	1.3
292.23822	0.8
301.19373	0.6
341.18787	2.4
342.14597	18.2
343.14914	1.8
358.16931	1.2
358.21381	25.1
359.21600	2.9
385.20071	19.3
386.20752	9.4
387.21030	0.8
428.29434	0.9
436.26205	1.2
471.29626	3.3
472.30234	0.8
495.29950	1.0
509.26071	0.5
513.30847	100.0
514.31183	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.3
58.00620	0.2
59.01378	5.4
61.88192	0.1
61.98839	0.3
69.03463	0.1
69.25441	0.1
71.01386	4.5
72.99334	0.3
73.02953	0.9
76.50220	0.1
83.01406	0.5
83.05058	0.1
85.02971	1.0
87.00892	0.6
89.02455	3.2
91.04026	0.1
95.01438	0.3
97.02983	0.2
97.06609	0.1
99.00895	0.2
99.04550	0.1
100.57118	0.1
101.02458	4.4
102.02773	0.1
103.04040	0.2
113.02465	1.6
113.06066	0.1
115.04060	0.1
119.03503	1.1
125.02489	0.2
127.04070	0.1
127.07673	0.2
129.02007	0.1
131.03560	0.1
133.05080	0.4
143.03526	0.4
145.05060	0.1
157.05090	0.2
161.04585	1.3
178.75073	0.1
179.05630	0.5
193.76741	0.1
219.13910	0.1
233.22746	0.4
235.08212	1.4
253.09288	15.8
254.09666	1.0
259.20676	0.3
275.20166	0.4
277.21716	100.0
278.22064	11.5
327.55807	0.1
391.30109	0.2
443.78214	0.1
513.32379	1.9
514.31531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
58.00607	0.2
59.01382	5.9
61.35540	0.1
61.98846	0.2
69.60551	0.7
71.01388	4.3
72.01753	0.1
72.99321	0.4
73.02956	1.0
83.01398	0.5
83.05054	0.2
85.02966	0.9
85.03368	0.1
86.00141	0.1
87.00876	0.5
89.02455	3.2
91.04050	0.2
95.01424	0.3
97.02998	0.2
97.06622	0.2
99.00913	0.2
101.02461	4.5
103.04067	0.1
113.02471	2.1
115.04030	0.1
119.03509	1.0
125.02456	0.2
127.07717	0.3
128.41920	0.1
129.02019	0.1
131.03584	0.1
133.05121	0.3
141.09157	0.1
143.03558	0.3
145.05118	0.1
157.05122	0.2
161.04593	1.5
179.05730	0.5
182.13222	0.1
233.22740	0.4
235.08221	1.2
253.09290	15.5
254.09639	0.8
259.20697	0.3
275.20166	0.4
277.21722	100.0
278.22067	11.4
291.23154	0.1
338.07327	0.1
469.33090	0.3
513.32086	10.3
514.32385	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	513.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06446	0.7
51.72640	0.6
55.60511	0.6
56.27234	0.6
57.03439	1.1
59.01134	0.6
59.01384	7.3
60.72581	0.7
61.98833	8.5
64.33215	0.7
68.99809	3.1
69.03450	1.6
69.39993	7.6
71.01395	8.1
72.99290	1.0
73.02940	2.2
75.00867	2.1
81.03448	1.0
81.32507	0.6
83.01401	5.3
85.02956	8.4
87.00903	4.0
87.01337	0.8
89.02432	2.6
95.01367	2.2
97.02941	1.3
99.00888	7.0
99.92580	2.1
100.93336	1.0
101.02461	6.7
102.49931	0.7
108.90642	0.6
109.00240	0.6
109.02905	0.9
111.00903	3.5
113.02452	8.2
113.73124	0.7
113.99609	18.7
114.02784	0.8
115.00400	8.5
115.91414	0.7
115.92101	6.9
116.92863	1.8
117.01867	0.9
117.03448	1.8
119.05051	0.7
121.02854	0.6
121.25636	0.6
123.04517	0.9
125.02438	2.2
127.00404	4.5
129.01942	3.0
133.02953	2.3
134.02699	1.0
134.03748	16.6
135.04558	1.6
139.00398	1.9
141.01883	0.8
143.03404	1.0
145.01407	1.1
147.04500	0.7
149.06055	1.6
153.01910	1.5
157.01421	5.8
161.02454	4.6
169.01376	1.6
174.01720	18.1
175.02388	3.1
175.03957	1.6
175.07629	1.5
178.02460	0.7
179.03499	0.8
183.06537	0.8
193.05067	11.5
202.06323	1.0
207.02881	0.8
220.27010	0.7
235.05850	0.8
246.11775	0.6
249.06024	1.1
267.07306	3.1
277.05627	37.6
278.05890	2.8
307.06784	1.1
337.07767	75.5
338.08124	5.4
409.62891	1.3
428.10236	0.7
453.10410	5.7
513.12274	100.0
514.12640	15.9
514.19330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	7.7
65.89603	0.5
68.99812	1.4
69.03450	2.2
71.01389	11.3
71.48645	1.1
72.99293	2.6
73.02955	0.7
75.00887	8.0
83.01352	0.6
85.02453	0.6
85.02960	10.1
87.00885	4.2
89.02465	2.9
93.03478	0.7
95.01405	2.4
97.06602	3.8
99.00903	5.7
103.00374	1.2
108.96981	0.5
111.00903	0.8
113.02467	14.8
114.02772	0.6
115.00396	1.4
117.01953	0.8
121.02959	2.9
122.03734	0.7
123.04517	1.1
129.01949	1.3
135.04558	0.8
138.02058	0.6
146.03738	8.0
147.04565	2.7
149.06125	1.0
157.01482	0.7
159.04477	1.1
160.05305	0.8
161.02386	0.6
161.06062	1.4
162.06871	0.7
163.07608	0.6
172.05286	0.6
173.06076	2.0
174.03131	0.8
174.06889	0.6
175.02475	1.7
175.04021	1.7
175.07655	29.9
176.04826	0.8
176.08015	1.8
177.31277	0.5
188.04793	2.4
189.05603	1.2
190.02792	1.0
190.06349	5.4
191.03094	0.8
191.07043	1.1
191.10803	1.4
201.05629	4.5
201.09238	1.1
202.06380	7.6
203.07121	2.8
204.07814	1.0
205.05072	1.4
206.05400	1.1
216.04239	2.7
217.08661	2.2
219.06763	0.9
219.10272	13.5
220.10641	1.1
238.37115	0.5
245.08199	6.1
249.06161	8.0
250.06494	0.6
263.09268	1.3
267.07187	18.5
268.07483	1.2
293.10217	1.2
337.12836	1.5
353.65894	0.5
405.69495	0.6
407.13416	0.9
451.16052	0.7
495.14804	2.9
496.15710	0.6
510.15778	0.6
513.16132	100.0
514.16394	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49918	0.1
59.01385	1.6
61.98835	100.0
62.98532	0.3
63.99263	0.6
66.51644	0.1
68.42963	0.1
71.01394	0.3
71.71226	0.2
71.75609	0.1
72.99321	0.3
73.02952	0.1
83.01412	0.2
85.02976	0.2
87.00914	0.2
88.98813	0.1
89.02460	0.3
95.01403	0.2
98.02512	0.2
99.04548	0.2
101.02460	0.3
107.05091	0.1
108.04617	0.2
113.02498	0.3
119.03545	0.2
124.07713	0.9
135.04521	0.1
147.04543	0.3
161.02512	0.4
161.04669	0.2
162.05638	0.3
165.05586	0.4
166.05968	0.2
178.05144	0.3
189.85478	0.1
209.11839	0.2
212.58492	0.1
243.14912	0.2
287.14059	3.9
288.13895	0.5
329.15137	0.5
434.00305	0.1
449.19156	1.6
450.19635	0.2
512.27069	0.1
513.27460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88635	0.4
59.01387	0.9
61.98830	6.6
64.52137	0.4
71.01381	1.1
77.96347	0.4
95.01386	0.8
99.00903	0.5
101.02449	0.8
101.53958	0.4
110.06124	3.3
113.02457	0.5
121.05347	1.4
122.06139	4.0
124.07706	0.7
125.02401	0.5
129.10361	1.9
133.06587	1.7
136.01747	0.4
144.04584	5.4
146.06094	0.9
148.07672	1.2
150.09264	0.7
151.00359	1.0
155.08250	0.8
156.00635	0.6
160.04068	1.4
161.04790	2.1
162.05608	0.9
172.03996	2.5
173.04700	0.6
174.05634	1.3
176.07112	0.8
188.03554	0.6
188.07106	0.5
189.04311	0.7
192.09099	0.7
203.05835	2.5
204.06670	6.4
205.07166	0.6
205.09721	0.7
211.08531	0.5
212.05914	4.7
213.06406	0.5
221.09323	0.7
223.08673	0.6
225.06572	1.2
225.10301	0.6
227.11937	0.9
228.12503	0.5
236.09570	0.8
237.10298	3.5
238.08661	0.8
238.10786	0.7
239.08218	3.6
240.09088	1.5
241.09761	1.2
242.18764	1.8
243.18973	0.6
249.08951	1.1
251.11932	3.2
252.10298	0.8
252.12679	4.0
253.06250	4.5
253.09804	3.8
253.13248	0.8
254.10472	1.1
255.11340	2.0
263.17676	0.5
266.06882	1.4
266.11380	7.7
267.07654	7.6
267.11542	4.9
268.08514	4.2
268.11929	4.0
269.09198	0.6
269.12878	2.3
279.07724	0.8
279.11319	0.8
280.08517	2.5
281.09299	12.4
282.09860	1.8
283.10657	0.8
285.08841	2.3
285.12155	0.7
287.05603	0.7
294.09677	0.6
295.10870	7.8
296.11652	17.3
297.12198	1.8
299.10431	3.5
300.11115	1.7
311.10352	1.9
313.11856	2.5
325.11871	1.1
327.13541	1.2
328.10648	3.6
328.14215	0.9
329.11288	1.7
340.10657	1.5
343.12976	0.8
360.13205	1.5
362.18826	0.5
372.13165	0.8
374.18555	1.5
392.19785	0.6
406.17657	2.0
418.17752	6.8
419.18134	1.5
431.26654	1.0
432.27005	0.9
436.18860	5.3
437.18924	0.8
449.10745	1.0
450.20639	1.0
453.20996	0.8
462.16946	1.3
468.21100	0.8
475.25616	14.5
476.25946	16.3
477.26251	1.9
480.17776	10.4
481.18091	1.6
494.19348	3.1
512.20355	100.0
513.20740	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	511.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71872	0.2
59.01376	2.3
61.98824	1.2
62.41133	0.2
65.03960	0.2
69.39766	2.5
71.01389	1.6
72.99313	0.2
73.02961	0.6
74.89243	0.2
75.00893	0.4
81.03465	0.3
83.01404	0.7
85.02962	0.8
87.00890	0.5
89.02473	0.6
91.05568	0.6
93.03474	1.5
96.96012	1.4
98.20578	0.3
99.00877	0.6
101.02460	1.5
105.03459	0.3
107.05048	1.5
109.02988	0.8
111.00920	0.5
111.04565	0.7
113.02472	0.9
117.03474	0.7
125.02464	0.7
128.39923	0.2
129.91675	0.2
132.02156	0.7
133.02977	9.0
134.03778	6.2
135.04543	100.0
136.03865	0.4
136.04869	4.8
137.02463	2.7
144.04539	0.3
149.02472	0.3
149.06128	0.5
149.61879	0.3
151.03970	0.3
153.01942	0.3
160.01649	1.5
161.02463	18.4
162.02771	1.2
165.05466	0.3
167.03450	0.3
173.06226	0.3
175.04030	2.0
177.01913	0.4
177.05637	0.4
179.03514	90.7
180.03859	4.3
187.04060	0.3
192.99673	2.2
193.05072	0.8
203.03371	0.3
212.59970	0.2
243.06654	0.3
267.07294	0.9
292.12756	0.2
317.06714	1.7
339.45886	0.2
349.18930	0.7
353.57101	0.2
431.10089	0.7
450.17615	0.4
453.13751	0.4
468.20984	0.2
473.16721	1.4
474.16959	0.3
511.14508	34.7
512.14667	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	511.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
59.01382	1.5
59.58972	0.3
61.98833	3.9
69.71141	2.1
70.00199	0.3
71.01364	0.8
71.02501	0.7
72.00920	1.7
73.02956	0.5
73.04076	0.4
74.02470	2.1
82.53461	0.3
83.01388	0.4
85.02948	0.6
88.98808	0.6
89.02488	0.5
95.01396	2.5
99.00901	0.4
101.02443	0.5
107.05032	1.5
107.66396	0.3
111.00906	0.9
112.07691	0.6
113.02460	0.8
113.99606	1.3
120.05773	0.4
121.02952	0.7
121.06614	1.1
123.04511	0.3
125.02438	0.8
129.10361	8.5
130.08759	0.7
132.05838	0.8
133.02959	0.5
133.06612	5.2
134.06116	0.8
135.04535	1.2
139.00391	1.1
139.08775	1.1
139.90498	0.3
140.07220	1.8
141.10361	0.3
143.11974	0.4
147.06882	0.5
148.07672	1.9
150.09253	0.9
151.00360	1.8
151.08826	0.7
155.08292	4.4
156.00591	0.3
160.07697	2.0
161.02473	1.2
161.04623	0.4
162.05702	0.4
163.04050	0.4
164.04832	0.7
165.05443	0.4
167.08221	0.5
169.09848	0.9
176.07257	0.3
177.10457	0.3
179.08286	2.7
186.12447	0.5
188.07191	1.5
192.06462	0.3
192.09084	4.0
193.09795	0.4
194.08237	1.7
197.16647	0.7
204.06683	0.4
205.09843	5.9
207.15002	0.5
221.09258	2.6
222.09778	0.4
222.12431	0.6
224.08054	2.6
224.17729	0.8
225.16092	0.7
232.06166	1.1
242.18756	8.0
242.21043	0.6
243.18971	0.9
244.03349	0.4
246.14999	0.4
249.08803	4.3
250.09198	0.4
255.02986	0.9
256.03406	0.8
263.17706	2.0
266.11453	37.0
267.11789	3.2
271.02548	1.0
272.02777	2.0
273.03342	0.4
273.15808	0.4
275.17444	0.4
281.09354	0.8
281.19772	0.6
283.14520	0.4
287.05661	0.9
296.11542	0.7
300.02655	2.0
301.03140	5.0
301.15427	0.6
302.03766	2.7
303.04196	0.5
318.18182	0.4
334.17532	0.4
370.24966	0.6
371.91077	0.3
376.25967	1.2
414.24139	2.2
431.26682	5.3
431.32214	0.6
432.27020	1.1
447.09351	0.4
448.09668	8.2
449.10220	1.3
458.23074	0.7
475.25626	100.0
476.25928	18.9
480.18051	0.4
495.36868	0.3
511.17197	0.6
511.23291	1.8
512.20538	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	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49045	0.1
55.75365	0.1
59.01381	2.3
60.53701	0.1
61.98831	100.0
62.98533	0.2
69.58665	0.8
69.59074	0.3
69.59262	0.1
71.01385	1.2
72.99318	0.4
73.02962	0.4
74.02478	0.2
80.96551	0.1
83.01385	0.3
85.02977	0.5
87.00887	0.3
88.98836	0.2
89.02468	0.4
90.16572	0.1
95.01429	0.3
98.20708	0.2
99.00865	0.2
101.02430	0.7
102.83951	0.1
111.00945	0.3
113.02448	0.8
114.02765	0.2
119.03513	0.4
119.05026	0.3
125.02488	0.3
135.02982	0.1
139.00394	0.2
145.06651	0.5
147.04530	1.4
156.05862	0.2
157.08727	0.9
161.02484	0.3
161.04622	0.2
165.05579	2.5
179.03532	0.3
179.05646	0.2
188.03558	0.1
189.05600	0.4
199.11319	0.4
205.47430	0.1
209.11871	0.2
243.10167	1.1
244.75896	0.1
287.12885	3.5
287.15829	0.3
301.03561	0.1
349.20465	0.4
434.17404	0.2
451.15891	0.2
478.16071	0.4
509.36017	0.8
510.18851	0.2
510.36584	0.3
511.17575	0.8
511.24890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98832	100.0
62.98532	0.2
69.53410	0.5
69.53829	0.3
71.01392	0.3
79.45712	0.1
85.76424	0.1
100.36035	0.1
116.92876	0.2
146.69678	0.1
164.14162	0.1
165.05655	0.1
205.08714	0.2
480.26520	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	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55988	0.1
58.06619	0.1
59.01381	1.4
61.98836	100.0
62.98544	0.2
69.87333	0.1
71.01386	0.3
71.72233	0.1
72.99328	0.2
73.02956	0.1
74.02420	0.1
75.27300	0.1
81.27846	0.1
83.01404	0.2
85.02977	0.2
88.98843	0.1
89.02471	0.2
90.36475	0.1
95.01417	0.2
101.02490	0.3
111.00901	0.2
113.02512	0.2
119.05080	0.3
135.04492	0.1
137.06145	0.1
147.04549	0.8
157.08739	0.2
161.02504	0.3
165.05603	1.0
165.98314	0.1
189.05650	0.3
199.59116	0.1
208.17261	0.1
209.11934	0.2
243.10420	0.3
287.12958	0.9
407.10367	0.1
447.09152	0.1
510.22617	0.1
511.25488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
61.98828	1.4
71.13117	0.7
75.63846	0.2
78.95911	19.1
91.00970	0.3
96.96979	1.2
103.15710	0.4
106.14722	0.3
152.99605	32.0
153.99919	0.7
160.12825	0.3
171.00685	1.7
171.21780	0.4
211.69452	0.3
227.03276	3.9
228.03682	0.4
245.04367	1.8
281.24850	100.0
282.25208	11.7
417.24097	0.9
447.09525	0.6
509.28815	68.5
510.29156	11.0
510.36774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75511	0.2
53.17368	0.2
55.01882	0.3
57.03453	0.2
59.01380	100.0
60.01711	1.4
61.98834	2.3
70.14315	1.0
71.01382	3.8
73.02942	1.3
75.00902	0.2
83.01412	0.5
85.02960	2.3
85.14610	0.2
89.73116	0.2
95.01419	0.3
97.02934	0.2
99.00913	0.3
101.02453	2.6
113.02448	1.6
119.05070	0.3
145.02971	0.6
145.30991	0.2
146.03354	0.4
159.03081	0.4
161.04594	2.2
209.11848	1.0
225.11401	0.2
300.02795	0.3
331.64749	0.2
447.09668	0.4
467.30093	3.3
467.36053	0.2
468.30786	0.6
509.30142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02134	0.4
59.01387	2.3
61.98832	14.8
65.00333	0.7
67.32339	0.4
67.84758	0.3
71.01399	0.6
75.60466	0.4
83.01390	1.3
91.01868	0.4
93.85586	0.4
95.01386	1.9
95.85746	0.4
97.32746	0.4
101.02466	0.9
107.01400	2.0
109.02966	1.5
111.00874	1.0
113.02458	0.9
113.99600	1.1
121.02974	2.5
135.00862	0.8
139.00397	1.1
148.01654	0.9
151.00391	10.2
163.00372	2.8
163.04007	0.5
164.01060	0.5
174.05638	0.4
178.99861	5.3
183.04539	0.6
187.04015	0.6
191.00099	0.5
192.00790	0.5
201.05591	0.5
203.03365	0.5
211.03978	1.1
226.02690	1.0
227.03543	2.4
229.05066	1.3
243.02986	5.5
245.04512	1.8
254.02184	0.8
255.02963	15.9
256.03461	1.7
263.19299	0.5
271.02472	29.2
272.02899	3.9
273.04034	1.4
283.02484	2.1
284.03305	0.7
299.01935	0.7
300.02765	63.3
301.03491	49.0
302.03836	4.3
348.21017	0.5
352.43631	0.6
447.09344	100.0
448.09668	14.4
493.22324	0.4
509.29901	0.6
511.21695	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	509.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32164	0.2
59.01377	1.9
61.98833	1.8
69.47470	1.4
71.01387	0.9
71.02512	2.5
72.00916	2.0
73.04066	0.8
74.02486	2.7
82.01741	0.4
83.02503	1.1
85.02956	0.3
85.04061	0.3
89.02447	0.2
91.05523	0.2
93.03420	0.2
98.01223	0.4
99.02008	0.8
101.02449	0.4
106.04263	0.2
107.05050	2.7
111.01997	0.4
111.54671	0.2
112.07698	0.3
113.02448	0.3
114.09274	0.5
116.05066	0.9
118.06616	0.9
119.05071	1.2
120.05841	0.4
121.02950	0.4
121.06618	1.2
123.09312	0.4
127.08820	0.2
128.03577	0.2
129.10364	10.2
130.08737	0.3
130.10698	0.4
131.05016	0.3
132.05820	1.8
133.02974	0.5
133.06615	7.5
133.07637	0.4
134.06126	1.3
134.06995	0.3
135.04520	0.5
139.08795	2.0
140.07195	0.9
140.09161	0.2
141.10327	0.3
144.04575	0.2
145.06609	0.6
146.06137	6.3
147.04500	0.6
147.06767	0.8
148.07692	3.4
149.08098	0.3
150.09297	0.9
151.08788	5.8
155.08276	2.4
157.09819	0.3
158.06120	0.2
159.04561	0.4
160.07686	3.1
161.02481	1.5
161.06071	0.2
162.05603	0.6
162.09245	0.6
163.08752	0.5
164.04814	0.8
164.07147	0.5
165.05443	0.2
166.09860	0.2
167.08307	0.3
168.00696	0.4
169.09821	0.5
170.06152	0.4
173.07288	0.3
174.05618	1.2
175.02435	0.2
175.04010	0.3
175.06523	0.3
175.08760	0.4
176.04843	0.4
176.07161	1.1
177.05562	0.5
177.10359	0.3
179.03485	0.2
179.08266	3.6
180.06598	0.3
184.10915	1.0
185.07222	0.2
186.05566	0.5
186.12468	0.9
187.08820	0.4
188.07185	1.8
189.06708	1.1
191.08344	0.2
192.09056	4.5
193.05080	0.2
193.09737	0.6
194.08243	2.9
201.06668	0.3
203.08298	0.9
204.06572	0.4
205.09834	7.2
206.08234	0.5
206.10120	0.5
214.12144	0.2
215.15501	0.3
221.07236	0.4
221.09312	4.8
222.12463	0.5
224.08035	4.0
225.08342	0.2
232.06187	1.0
240.13904	0.3
241.13322	0.3
242.11852	0.7
249.08809	6.0
249.11366	0.3
250.09100	0.6
253.13422	0.4
257.12857	0.3
266.11453	32.5
267.11810	2.9
276.17099	0.4
280.13443	3.9
281.13803	0.6
283.14581	0.3
285.03967	0.6
287.13144	0.3
292.13461	0.7
297.16138	0.4
298.15668	0.4
301.15414	0.2
307.14560	2.5
317.66174	0.2
332.16364	0.2
333.19293	0.3
334.17850	0.3
335.13980	2.3
336.14233	0.4
344.16180	0.8
346.17767	0.7
387.20850	0.3
404.23590	0.4
405.23349	0.2
430.21457	0.5
447.09061	0.5
448.22223	0.9
448.31387	0.2
465.25076	5.1
466.25497	1.0
477.80640	0.3
492.21426	1.6
509.24039	100.0
510.24347	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	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61502	0.1
55.01878	2.9
57.03453	3.2
58.00592	1.0
59.01383	21.8
60.01714	0.4
60.99297	0.2
61.98830	3.5
67.01898	0.1
68.99807	0.3
69.03468	0.6
71.01389	43.0
72.01730	1.1
72.99316	1.9
73.02954	12.2
74.03308	0.2
75.00894	0.8
78.31152	0.1
81.03467	0.2
83.01396	5.2
84.01733	0.2
84.02176	0.3
85.02962	21.7
86.00117	0.5
86.03315	0.5
87.00888	2.0
88.98806	0.9
89.02453	8.8
90.02799	0.2
95.01402	4.5
97.02962	1.1
99.00245	0.2
99.00898	5.8
101.02460	26.1
102.02776	0.7
111.00899	3.2
113.02468	16.9
114.02798	0.5
115.04019	0.2
119.03525	2.6
125.02465	1.0
129.01950	0.8
131.03534	0.4
139.00392	0.2
141.01970	0.4
143.03534	1.4
149.04567	0.2
157.12347	0.2
159.03012	3.2
161.04579	14.2
162.04912	0.4
171.13921	0.4
179.05659	0.7
181.09613	0.1
183.46779	0.1
205.03590	0.3
209.99980	0.2
211.13446	1.3
212.13840	0.1
229.84259	0.1
299.25912	1.2
324.64545	0.2
345.30127	6.8
346.30542	0.7
371.30353	0.1
397.22595	0.2
421.24405	0.4
463.25369	0.7
507.35379	100.0
508.35736	19.4
508.41504	0.3
508.43713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
61.98832	59.1
69.71130	3.3
71.01389	4.7
72.01740	0.4
72.99324	0.9
73.02950	1.3
73.32378	0.4
74.02470	0.4
75.00880	0.5
83.01409	1.0
85.02956	1.3
87.00903	0.5
89.02452	3.8
89.90814	0.3
95.01382	0.4
96.95441	0.4
99.42563	0.4
101.02462	3.2
113.02480	1.5
117.03516	1.2
119.03516	1.2
121.05106	1.1
125.02457	0.8
131.03636	0.4
132.02213	0.6
133.02983	20.4
134.03310	0.9
135.04552	7.7
136.04866	0.4
140.23468	0.4
143.03618	0.4
147.06644	0.5
151.04048	1.0
161.02463	100.0
162.02794	6.4
165.05605	0.8
167.03482	0.9
177.01976	0.9
177.05553	0.4
179.03511	6.5
180.03926	0.7
195.06752	0.4
221.04611	0.5
281.06445	0.7
339.56396	0.5
356.38843	0.4
401.24854	0.5
445.13519	94.1
446.13828	13.4
508.19730	0.5
509.17966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12374	0.4
59.01385	0.8
61.61832	0.5
61.98839	2.7
63.06240	0.4
68.65603	0.4
78.95914	11.5
96.96978	0.8
104.53325	0.5
106.11812	0.5
129.96306	0.5
152.99611	18.3
171.00658	1.1
227.03311	2.6
245.04340	1.1
279.23294	100.0
280.23639	13.8
282.25003	1.1
471.35184	3.6
472.35419	0.7
507.27243	40.3
508.27621	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	507.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
59.64324	1.0
61.98829	5.0
71.04328	2.2
78.95944	1.0
82.77476	0.9
134.71039	0.8
152.99602	1.6
174.24821	0.8
200.89436	1.2
275.57108	0.9
279.23291	12.3
280.23627	1.7
402.43924	1.0
469.33691	1.5
471.34830	100.0
472.35129	23.5
507.26999	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03441	1.3
59.01381	15.4
60.99281	0.4
61.98516	0.6
61.98830	10.5
69.03459	0.6
69.71290	2.5
71.01386	27.0
72.01700	0.5
72.99298	1.0
73.02950	11.6
75.00864	1.1
75.74716	0.3
81.03473	0.6
83.01395	4.3
85.02956	13.2
86.03214	0.3
87.00882	2.2
88.98815	3.1
89.02458	5.3
95.01401	2.0
97.02956	1.2
99.00893	6.4
101.02455	24.6
102.02756	0.6
109.02967	0.3
111.00868	1.1
113.02460	11.7
114.02785	0.5
115.04038	0.8
119.03590	0.4
119.05008	0.4
125.02464	2.2
129.01939	0.8
131.03516	1.2
133.02977	0.4
135.04541	0.8
135.06619	0.6
137.02412	0.4
143.03490	1.4
149.04541	0.3
153.05508	0.6
153.12886	0.3
159.03004	2.8
159.04265	0.4
161.02414	0.6
161.04570	15.5
162.04869	0.6
165.05479	0.3
165.12871	0.9
183.13956	2.6
183.70020	0.3
197.15627	0.4
205.03432	0.4
211.13240	0.4
227.12810	0.6
233.06610	0.7
235.19714	0.4
285.20569	0.4
297.11929	0.7
315.18118	18.5
316.18466	1.9
345.17310	0.5
447.22284	100.0
448.22629	14.5
465.27197	3.0
507.27835	6.5
508.16956	0.7
508.27997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92250	1.1
55.01878	2.9
57.03434	3.8
57.32022	1.1
58.00608	1.6
59.01383	68.7
59.07227	1.0
59.07784	1.4
61.98835	69.6
64.04678	1.1
71.01391	27.9
71.05017	1.2
71.21442	1.2
71.72015	1.8
72.99307	2.7
73.02954	21.9
75.00874	2.9
83.01390	6.7
85.02960	14.7
86.00108	3.0
87.00887	2.8
88.98812	3.6
89.02465	7.6
95.01405	4.7
99.00877	7.3
101.02467	25.4
106.06629	1.7
108.04568	1.6
111.00891	4.2
113.02472	10.6
119.03523	2.6
119.05038	4.8
125.02501	2.2
133.02957	2.0
135.04532	1.7
143.03436	2.1
149.04601	1.9
161.02516	2.0
161.04559	2.8
163.04071	2.5
175.04070	1.4
213.18578	1.5
229.08891	1.4
259.19138	3.3
277.09811	6.9
287.70068	1.3
291.11435	6.3
292.09125	1.3
292.12039	6.9
321.43240	1.3
327.25320	3.0
335.10266	2.0
345.16977	2.0
403.23383	19.4
404.23862	2.2
410.15256	1.5
421.24448	49.5
422.24744	7.0
432.19083	4.2
447.22336	5.0
463.25500	100.0
464.25995	14.6
465.27023	2.7
475.17114	2.2
476.18356	8.3
477.18991	1.7
507.32410	33.1
508.21423	8.9
508.32608	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	507.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
64.34007	0.4
70.43122	1.6
70.43459	0.4
71.01398	1.3
72.99300	0.9
73.02927	0.7
75.00881	5.7
85.02969	0.5
87.00884	19.7
87.01429	0.9
89.02495	0.5
98.20515	0.5
99.00883	3.3
101.02430	1.0
105.01948	21.4
106.02258	0.5
111.00929	0.5
117.01942	1.4
119.03520	0.5
129.01968	1.0
135.03006	0.7
143.34651	0.4
147.03015	3.7
150.84010	0.4
162.38348	0.4
163.06149	1.8
164.06552	0.5
165.04057	100.0
166.04411	4.0
209.06757	0.6
263.49332	0.4
352.25177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08897	3.5
58.22972	3.4
59.01385	34.0
61.98837	90.3
71.01388	20.0
71.70448	3.4
71.70827	3.4
76.47991	3.5
85.02957	6.2
87.00900	3.5
87.04505	4.0
95.01421	4.2
101.02467	15.0
111.08240	4.1
113.02453	8.2
118.69446	3.4
120.02112	3.3
125.02449	5.7
127.11250	3.9
133.03044	4.0
143.21500	3.5
163.00507	3.1
190.02730	5.1
193.12489	4.8
197.11856	20.4
201.05484	4.1
203.03546	6.9
205.05089	5.3
211.13333	5.7
211.64091	3.6
235.13506	3.7
258.09039	5.7
259.13400	6.8
261.11258	7.7
291.19821	24.8
301.14474	15.8
303.12390	5.2
309.20752	100.0
310.21072	11.5
311.22208	6.6
435.18179	26.4
436.18506	5.4
444.19562	7.2
463.17804	22.8
489.15527	14.2
501.50992	4.0
506.31085	8.5
507.16553	43.7
507.24097	19.9
507.36566	21.9
507.74075	6.2
508.17276	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	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03458	1.9
58.00582	0.4
59.01381	12.0
60.01698	0.6
60.23532	0.3
60.99296	0.5
61.98833	9.0
68.87720	0.4
68.99826	0.5
69.03461	3.4
69.36974	3.8
69.37375	0.6
71.01391	7.6
72.01738	0.4
72.99316	1.7
73.02956	1.8
75.00878	4.0
76.28072	0.3
81.03463	1.2
83.01405	2.8
85.02962	5.1
86.03329	0.4
87.00893	1.8
88.98808	3.3
89.02482	2.7
93.03503	0.5
95.01382	2.9
96.76984	0.4
97.02973	3.1
99.00869	2.2
99.04502	0.5
101.02452	4.3
103.00391	0.5
107.01425	0.7
107.05049	0.4
108.02196	1.4
108.85147	0.3
109.02972	1.5
109.06553	0.5
111.00989	0.8
113.02457	5.5
114.02798	1.1
115.00358	0.6
117.03492	0.7
119.03539	0.7
119.05035	1.1
121.02991	1.1
122.06128	0.5
123.00906	7.4
123.04556	0.7
124.01686	20.0
125.02467	41.2
126.02793	1.6
129.02008	0.5
132.02182	1.5
133.03008	2.0
134.03783	7.0
135.04552	3.2
135.11748	0.4
136.01682	0.4
137.02472	3.5
139.04002	1.2
142.06639	1.3
145.02946	0.7
147.04517	1.0
149.02478	1.1
149.06061	1.0
149.99606	33.3
151.00352	2.7
151.03976	0.5
152.01167	0.9
153.09230	1.2
154.09563	1.0
155.10820	0.4
160.01688	8.7
161.02493	6.9
161.04614	1.2
162.02994	0.4
163.04010	1.0
165.01936	0.7
165.05586	2.0
166.05931	0.3
166.99898	0.4
167.03511	2.3
168.00661	63.7
169.01372	6.4
169.32674	0.4
175.02541	0.8
175.04016	11.4
176.04445	1.1
178.02763	0.7
179.03505	2.5
179.07211	0.6
179.10800	0.6
180.11053	0.4
181.05287	0.4
183.13927	0.8
186.05577	0.5
190.02768	0.9
193.01379	0.6
193.05054	4.0
197.15437	0.4
205.05040	1.1
209.11742	0.4
221.04562	0.6
223.06041	0.4
227.12990	0.5
229.04945	0.4
235.06055	0.5
249.06093	1.9
250.06543	1.0
255.15927	0.8
256.16266	1.1
257.17493	1.1
258.41241	0.4
267.07217	0.6
281.06598	0.8
285.12604	0.6
296.11777	0.6
297.11884	0.5
313.05753	3.7
331.06699	16.0
332.07065	1.1
337.09262	1.3
339.09894	0.6
340.11053	0.4
341.09021	0.4
367.09900	0.4
388.69107	0.4
398.10309	0.3
445.16333	0.4
447.26114	3.4
465.27029	1.9
473.31235	0.4
483.15985	1.6
489.10278	1.2
492.16760	0.8
506.23074	11.7
506.34225	0.6
507.11420	100.0
507.23386	9.6
507.28384	8.2
508.11694	15.4
508.28940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03459	2.8
58.00589	0.8
59.01384	16.3
59.10885	0.3
60.01694	0.4
61.98835	7.0
65.59460	0.3
67.01883	0.6
69.03450	0.6
71.01389	37.3
71.05027	0.5
71.71728	0.4
72.01740	0.5
72.99301	1.8
73.02956	10.5
74.49928	0.3
75.00880	0.8
81.03471	0.7
82.89695	0.3
83.01401	5.9
84.02164	0.4
85.02962	18.3
86.00092	0.5
87.00872	1.6
88.98817	1.7
89.02456	6.6
90.02789	0.4
93.03470	0.5
93.33647	0.3
95.01397	3.6
97.02961	1.0
99.00893	4.7
101.02460	22.4
102.02794	0.7
108.02183	0.9
109.02979	3.7
111.00916	3.0
113.02470	15.0
114.02792	0.4
117.03477	1.4
119.03562	2.0
119.05045	4.5
120.05391	0.4
121.03019	0.7
122.03765	0.6
123.00906	7.4
123.04508	1.0
124.01705	5.4
125.02511	1.6
129.01984	0.6
131.08595	0.3
133.06607	0.4
134.03746	1.3
136.01682	30.2
137.02510	5.3
138.03275	0.8
139.00351	0.7
143.03534	1.6
143.04524	0.4
145.02975	2.6
148.05327	1.7
149.02480	0.3
149.06099	3.3
151.04031	41.2
152.01100	0.3
152.04390	2.1
153.01929	0.3
159.03026	3.4
160.05316	1.3
161.02512	0.7
161.04587	13.4
161.06009	1.0
162.04941	0.5
163.04054	4.4
163.07671	1.3
164.04745	1.1
165.05589	9.3
166.05943	0.7
173.06093	0.9
175.07648	4.2
176.08443	1.9
177.05612	1.0
177.09225	0.5
178.06409	0.4
179.03427	0.4
179.05655	0.7
179.07147	0.8
191.07133	3.9
191.10732	0.4
203.07149	1.1
205.03583	0.8
209.11795	0.7
213.09204	1.4
239.07156	0.7
257.08191	9.5
258.08478	0.7
279.23386	0.7
280.07443	1.0
281.21112	0.3
295.09729	2.4
297.24435	0.9
300.02832	0.4
310.12167	2.1
313.10925	0.8
325.14490	2.5
327.12448	0.3
328.13190	12.5
329.13617	1.5
343.15524	100.0
343.28549	6.0
344.15866	13.9
344.28998	0.8
375.23819	0.6
505.18900	6.4
505.33942	71.8
506.18973	2.0
506.34286	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59064	1.5
55.29329	1.3
57.03450	3.2
59.01379	18.5
60.99313	21.3
61.98833	32.3
70.63421	1.5
71.01382	5.1
71.05029	14.5
71.70940	1.6
74.96858	1.4
83.05021	4.7
85.02950	3.6
85.06591	3.7
99.00877	1.4
99.03439	1.5
99.17757	1.5
101.02431	3.1
107.16849	1.4
111.00863	1.7
113.02456	2.2
118.27523	1.5
189.12842	2.8
205.15985	8.4
324.97501	1.4
351.46423	1.5
371.29358	1.9
391.26373	1.6
393.27988	2.3
395.29495	2.2
405.31674	1.7
409.31076	3.8
411.32602	6.1
412.32455	1.5
425.34283	42.3
426.34671	7.8
439.32385	2.3
441.33685	14.3
442.34082	2.7
443.35428	100.0
444.35770	22.3
457.33148	6.6
475.34286	31.2
476.34625	3.9
485.32550	4.8
487.34320	76.2
488.34668	18.4
505.36038	73.8
506.36255	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	505.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03459	2.8
58.00589	0.8
59.01384	16.3
59.10885	0.3
60.01694	0.4
61.98835	7.0
65.59460	0.3
67.01883	0.6
69.03450	0.6
71.01389	37.3
71.05027	0.5
71.71728	0.4
72.01740	0.5
72.99301	1.8
73.02956	10.5
74.49928	0.3
75.00880	0.8
81.03471	0.7
82.89695	0.3
83.01401	5.9
84.02164	0.4
85.02962	18.3
86.00092	0.5
87.00872	1.6
88.98817	1.7
89.02456	6.6
90.02789	0.4
93.03470	0.5
93.33647	0.3
95.01397	3.6
97.02961	1.0
99.00893	4.7
101.02460	22.4
102.02794	0.7
108.02183	0.9
109.02979	3.7
111.00916	3.0
113.02470	15.0
114.02792	0.4
117.03477	1.4
119.03562	2.0
119.05045	4.5
120.05391	0.4
121.03019	0.7
122.03765	0.6
123.00906	7.4
123.04508	1.0
124.01705	5.4
125.02511	1.6
129.01984	0.6
131.08595	0.3
133.06607	0.4
134.03746	1.3
136.01682	30.2
137.02510	5.3
138.03275	0.8
139.00351	0.7
143.03534	1.6
143.04524	0.4
145.02975	2.6
148.05327	1.7
149.02480	0.3
149.06099	3.3
151.04031	41.2
152.01100	0.3
152.04390	2.1
153.01929	0.3
159.03026	3.4
160.05316	1.3
161.02512	0.7
161.04587	13.4
161.06009	1.0
162.04941	0.5
163.04054	4.4
163.07671	1.3
164.04745	1.1
165.05589	9.3
166.05943	0.7
173.06093	0.9
175.07648	4.2
176.08443	1.9
177.05612	1.0
177.09225	0.5
178.06409	0.4
179.03427	0.4
179.05655	0.7
179.07147	0.8
191.07133	3.9
191.10732	0.4
203.07149	1.1
205.03583	0.8
209.11795	0.7
213.09204	1.4
239.07156	0.7
257.08191	9.5
258.08478	0.7
279.23386	0.7
280.07443	1.0
281.21112	0.3
295.09729	2.4
297.24435	0.9
300.02832	0.4
310.12167	2.1
313.10925	0.8
325.14490	2.5
327.12448	0.3
328.13190	12.5
329.13617	1.5
343.15524	100.0
343.28549	6.0
344.15866	13.9
344.28998	0.8
375.23819	0.6
505.18900	6.4
505.33942	71.8
506.18973	2.0
506.34286	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3018
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01869	0.4
57.03440	1.7
59.01383	11.2
59.04557	0.5
67.01907	0.8
68.99840	0.9
70.73074	1.4
71.00989	0.6
71.01386	12.3
72.99313	4.9
73.02917	0.8
75.00880	14.9
83.01380	0.4
85.02961	14.6
86.03281	0.6
87.00892	5.4
89.02468	2.5
93.03487	0.5
95.01408	4.1
99.00890	7.9
103.00384	1.7
111.00914	0.5
113.02470	20.2
114.02823	0.5
115.00395	2.2
115.04107	0.5
117.01926	1.9
129.01962	1.3
175.02521	2.9
189.03999	0.6
205.07156	0.6
231.05087	1.7
233.52626	0.4
249.06152	15.4
250.06584	0.5
255.23293	87.6
256.23633	9.2
267.07230	2.8
279.56607	0.5
320.68384	0.4
354.56973	0.4
385.27740	0.4
412.76328	0.4
487.28986	2.6
505.30167	100.0
506.30539	19.8
512.09991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2811
Annotation	Mucronine A
Peak:m/z	Relative Intensity
57.03455	4.7
59.01139	0.7
59.01381	8.5
60.99281	0.5
61.98520	1.0
61.98834	16.9
69.03438	1.4
70.27986	2.0
71.01387	8.0
71.05025	10.3
72.99291	0.6
73.02947	2.5
83.01398	0.7
83.05025	1.1
85.02937	3.0
87.00863	0.8
88.98806	1.4
89.02429	2.0
95.01380	0.5
99.00890	1.2
101.02454	4.5
109.02906	0.7
111.00858	1.0
113.02464	2.6
119.03494	0.9
123.04568	0.7
123.08139	0.6
124.01683	0.8
125.02466	0.6
134.03726	0.8
136.01683	8.3
137.02419	0.8
143.03493	0.5
147.00563	0.5
151.04059	10.4
152.04387	0.8
161.02423	0.7
161.04544	1.3
165.05569	1.1
167.03391	0.9
168.61975	0.6
175.07622	1.1
176.08359	0.7
179.03407	0.5
190.39186	0.5
209.11801	1.0
220.21513	0.5
236.95779	0.5
279.23016	0.7
300.02728	0.8
325.14209	0.8
325.23828	2.4
326.24442	0.7
343.15573	14.2
344.15723	2.1
399.29047	1.1
411.06940	0.9
425.26901	1.6
441.26321	0.6
443.28006	10.1
444.28210	2.0
459.27386	2.3
461.29099	11.5
462.29309	1.8
462.36160	0.5
487.27008	7.9
488.26947	1.6
492.72595	0.5
505.28040	100.0
506.28329	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	505.3017
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.11553	0.3
54.80080	0.3
55.01876	0.5
57.03447	2.1
58.00594	0.4
59.01380	11.4
61.35595	0.3
61.98519	0.4
61.98833	7.5
67.01881	0.5
68.99811	0.5
69.03465	0.8
71.01389	15.4
72.99310	4.1
73.02952	1.3
75.00879	13.6
83.01405	1.2
84.02185	0.5
85.02959	18.8
86.03306	0.5
87.00881	5.4
89.02462	3.3
90.32164	0.3
95.01397	4.2
98.20723	0.7
99.00898	8.4
101.02450	0.7
103.00391	2.6
111.00907	0.8
112.01669	0.5
113.02468	25.7
114.02803	0.9
115.00413	1.2
117.01965	1.5
129.01968	1.6
131.03502	0.9
139.00395	0.4
157.01419	0.7
175.02486	2.6
193.03468	0.9
205.07251	1.7
223.08218	0.7
230.39595	0.3
231.05115	0.7
247.87450	0.4
249.06151	5.3
255.23286	65.5
256.23636	6.2
267.07227	5.4
437.09430	0.3
487.29236	2.7
505.30170	100.0
506.30496	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	505.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06544	0.3
59.01371	1.1
61.98830	0.6
64.23868	0.2
70.86880	0.4
70.87244	0.7
78.95914	9.9
96.96961	0.8
98.12653	0.3
108.59213	0.3
127.07636	0.3
135.86554	0.3
142.48354	0.3
152.99612	18.1
153.99908	0.4
154.84973	0.3
171.00667	1.9
227.03319	2.9
234.42886	0.3
245.04265	1.9
259.20636	0.4
277.21722	100.0
278.22067	10.6
285.86755	0.3
505.25696	38.0
506.26132	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	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96683	0.6
59.01382	4.2
61.98835	3.7
71.72514	1.0
77.98143	0.6
78.95911	31.6
86.18896	0.8
96.96973	2.5
100.47037	0.7
107.01945	0.6
112.00144	0.6
152.99609	41.8
153.99962	0.8
164.82329	0.6
171.00661	2.0
227.03287	4.9
245.04329	2.8
277.21719	100.0
278.22049	11.1
469.33337	9.1
470.33371	1.1
504.33884	1.6
505.25693	83.8
506.26001	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	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03446	4.0
58.00593	1.3
59.01384	37.7
60.99307	12.7
61.98836	27.5
63.40757	0.8
68.99833	0.8
69.03452	0.9
71.01392	21.1
71.04637	1.8
71.05019	2.9
72.99326	4.5
73.02937	6.1
75.00876	7.8
81.03490	1.1
82.95447	1.3
83.01385	4.6
83.05035	1.2
85.02964	15.8
87.00887	6.1
88.98819	100.0
89.02464	17.4
89.99129	1.1
93.03493	2.6
95.01416	3.0
97.02988	1.2
99.00903	5.0
99.04509	0.9
101.02456	11.2
109.06643	1.1
111.00928	1.5
113.02468	15.4
113.48562	1.0
115.00393	1.1
117.01983	1.6
119.03525	1.2
119.33465	0.8
121.06602	1.6
121.10252	1.0
123.04543	9.9
125.02481	1.0
127.07682	4.1
129.01985	1.7
130.08762	3.0
133.03006	1.2
134.03784	1.0
135.04541	2.3
137.02467	8.2
143.03500	1.0
147.04579	1.3
149.02444	1.5
150.03372	1.2
152.01099	1.3
153.01985	1.0
153.05621	8.2
154.06044	0.9
161.02493	2.8
161.04576	2.4
162.02904	1.3
165.05618	4.6
165.09216	1.4
165.73232	0.8
167.03482	1.8
174.01691	1.1
175.02539	2.4
175.04053	1.3
177.01907	1.8
179.03540	1.8
180.04266	1.6
190.02704	0.9
191.03621	1.3
197.16583	1.3
219.61394	0.9
221.63809	0.9
225.89442	0.9
231.05029	1.1
231.10294	1.2
243.12186	0.9
249.06189	7.3
255.16045	10.8
256.16556	0.9
267.07343	1.9
271.02374	0.9
275.09241	1.9
283.19263	1.9
291.90472	1.0
300.02716	1.8
301.20172	1.9
311.09204	0.9
326.11758	1.3
341.13623	1.2
353.09155	1.3
382.27136	1.5
445.25201	12.5
446.25281	1.1
446.71738	0.9
463.25525	17.0
464.25870	1.9
467.15680	1.4
487.21390	1.0
491.11139	0.8
505.22949	33.5
505.26648	28.1
506.23175	5.5
506.28046	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24933	0.2
55.01857	0.7
57.03447	2.9
58.00569	0.6
59.01379	23.6
59.22970	0.2
60.01716	0.4
61.98803	1.2
64.29043	0.3
67.01878	0.5
68.99796	0.9
69.03430	1.1
69.83107	1.6
71.01389	14.6
71.05025	0.4
72.98936	0.4
72.99312	5.3
73.02959	1.9
73.07679	0.2
74.34279	0.2
75.00880	13.5
81.03432	0.4
83.01369	1.1
83.05013	0.7
85.02959	17.5
87.00401	0.3
87.00888	5.4
87.04455	0.3
88.98779	0.4
89.01996	0.4
89.02457	4.2
91.04000	0.4
93.03434	0.9
95.01398	4.2
97.02956	0.4
99.00256	0.4
99.00894	8.4
100.01239	0.3
101.02444	1.9
103.00359	0.9
107.08649	0.4
109.02896	0.6
111.00853	1.1
111.04493	0.6
113.02469	17.8
114.02732	0.4
115.00389	1.3
117.01952	2.2
121.10213	0.3
129.01904	1.1
131.03455	0.4
133.10223	0.6
135.11818	3.6
136.12074	0.3
137.06058	0.4
139.00356	0.4
151.00380	0.6
153.09236	9.2
154.09483	0.4
157.01424	0.8
161.02336	0.9
161.04526	0.6
161.09697	0.5
175.02534	2.1
175.14867	0.4
179.10793	9.4
180.11018	0.8
189.04048	0.4
190.02681	0.7
197.11763	0.6
204.06490	0.4
205.05093	0.4
205.07047	0.7
219.13844	0.3
223.08167	0.3
230.07187	0.3
231.05048	1.3
237.14958	3.7
243.02823	0.3
249.06139	13.0
250.06380	0.8
255.02843	1.1
255.16017	7.7
256.16336	0.5
267.07181	2.9
268.07504	0.3
271.02499	1.8
283.18866	0.4
300.02774	3.4
301.03467	1.5
343.12967	0.5
442.41367	0.3
445.24149	1.2
463.19678	0.5
463.25546	5.8
464.25504	0.8
487.21768	3.2
505.22617	100.0
506.22974	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01927	0.2
55.01844	0.8
57.03417	0.9
58.00589	0.3
59.01377	7.1
60.01732	0.2
61.98833	6.5
67.01865	0.3
68.99809	0.3
71.01389	13.3
71.71781	0.4
72.99281	0.7
73.02599	0.3
73.02950	3.9
80.33141	0.2
81.03443	0.6
83.01401	2.1
85.02958	6.2
87.00860	0.8
88.98784	1.1
89.02463	2.8
95.01382	1.5
97.02950	0.4
99.00884	1.5
101.02460	8.3
108.02151	0.6
109.02966	4.1
110.03291	0.3
111.00878	2.1
113.02463	5.0
119.03511	0.8
119.05042	2.2
119.08677	0.4
122.03795	0.4
123.00906	6.6
123.04545	0.8
124.01695	4.9
125.02408	1.0
129.01894	0.3
133.06601	0.4
134.03749	0.8
135.04558	0.6
136.01677	29.6
137.02515	5.0
138.03201	0.6
139.00420	0.3
143.03528	0.4
145.02962	1.3
147.08066	0.3
148.05316	2.0
149.06099	3.3
150.06462	0.5
151.04025	40.6
152.04384	1.9
157.77872	0.4
159.03003	1.0
160.05272	0.9
161.02469	0.5
161.04594	4.4
161.05937	0.5
163.04033	2.1
163.07683	1.4
164.04855	1.4
165.05586	8.7
166.05861	0.3
173.06071	0.7
174.26747	0.3
175.07651	4.8
175.09018	0.4
176.08437	2.3
176.66707	0.3
177.03256	0.3
177.09122	0.4
179.05779	0.3
179.07185	0.7
186.06940	0.4
187.07765	0.3
188.04688	0.3
191.07167	3.2
191.10841	0.5
203.07190	1.3
209.11890	0.3
213.09184	0.5
239.07069	0.4
257.05600	0.3
257.08148	5.7
258.08612	0.8
280.07568	0.6
295.09760	2.0
300.02847	0.5
310.12140	2.4
310.15015	0.2
311.12671	0.4
313.10953	0.7
320.14432	0.3
325.14505	2.0
325.23901	0.5
327.12234	0.3
328.13181	11.8
329.13470	1.8
343.15518	100.0
343.28589	1.7
344.15863	13.3
352.76154	0.3
382.14233	0.6
427.19980	0.4
461.29456	0.4
487.27194	0.3
505.19333	2.5
505.34326	20.8
506.19479	0.7
506.27808	0.5
506.34814	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	505.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03448	2.3
58.00591	0.4
59.01089	0.7
59.01381	14.6
60.71516	0.3
61.34706	0.3
61.98829	1.6
67.01883	0.8
68.99799	0.9
69.03458	9.4
70.73326	1.1
71.01387	13.9
71.05015	0.6
72.01730	0.3
72.99323	3.9
73.02954	1.2
75.00880	12.1
76.15716	0.3
81.03446	0.5
83.01403	0.8
83.05037	0.8
85.02960	14.0
86.03302	0.4
87.00881	4.8
88.98805	0.4
89.02460	3.3
91.03979	0.4
93.03470	1.0
94.55074	0.4
95.01394	3.1
97.06551	0.4
99.00888	6.0
101.02450	1.7
103.00388	1.4
109.02950	0.4
109.06597	1.7
111.00887	0.8
111.08154	1.0
113.02464	14.5
114.02782	0.6
115.00404	1.4
117.01945	2.1
119.03481	0.3
123.04511	0.5
125.09711	0.3
127.07665	15.5
128.08005	0.7
129.01932	1.1
133.02954	1.6
134.03244	0.7
135.04523	1.7
135.11800	1.1
137.02451	0.9
145.02943	0.7
153.09254	1.0
155.07149	2.0
157.01460	0.8
161.02495	4.8
162.02774	2.0
167.03438	0.6
175.02475	1.4
175.03883	0.7
176.11790	0.4
177.05600	0.8
179.03456	1.7
179.10817	2.1
180.03883	1.3
181.03926	0.6
197.11832	4.1
205.05196	0.5
205.07121	0.7
221.04605	0.6
231.05074	1.2
237.14958	3.9
238.15399	0.4
249.06154	11.3
250.06494	0.6
251.05667	0.6
252.05867	0.7
253.06242	0.6
255.16035	16.1
256.16333	1.1
267.07196	2.8
271.02466	0.5
281.06775	0.4
282.07101	0.7
283.07190	1.1
300.02820	1.1
301.03409	0.5
341.08713	0.5
342.09158	0.9
343.09381	1.2
367.10733	0.4
487.21622	2.0
505.22852	100.0
506.23242	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.0
57.03453	1.7
59.01383	100.0
60.01715	1.7
61.98833	50.0
69.56675	8.7
71.01390	10.8
71.05017	1.8
72.99316	1.2
73.02948	3.6
74.02457	1.4
75.00842	1.3
81.03504	0.9
83.01410	1.6
85.02965	13.8
87.00880	1.8
88.98812	1.3
89.02451	7.3
95.01390	1.4
97.02988	1.2
99.00906	1.2
101.02457	7.7
109.02948	2.1
111.00903	29.9
113.02474	5.4
114.05595	2.5
115.00391	2.5
115.04006	1.6
115.06037	0.9
116.92897	2.0
117.03501	1.1
119.03514	2.5
119.05065	1.7
121.02990	1.5
123.04552	1.7
125.02444	2.4
128.03526	1.0
129.01967	2.6
133.02977	6.4
134.03731	1.5
135.04567	5.5
137.02480	2.8
138.03282	1.3
138.83127	0.9
143.04610	1.8
145.02945	1.5
147.06659	4.1
149.02449	1.5
150.03239	2.7
151.03992	5.2
158.09370	3.6
161.02473	39.0
161.04610	2.4
162.02840	3.7
163.04016	1.5
164.04779	0.9
165.05585	3.8
167.03442	1.2
168.04456	1.0
175.02567	1.1
176.01132	2.0
176.04790	9.7
177.01868	1.2
177.05466	1.4
179.03528	27.9
181.05084	5.2
191.03508	3.2
191.07170	5.4
193.05070	2.8
194.05864	31.0
195.06493	3.0
209.08211	99.9
210.08612	7.2
210.74831	1.1
221.04576	1.5
223.06190	1.1
306.07669	3.3
323.07693	3.0
325.10785	2.3
330.09512	1.8
349.18781	1.1
410.53668	1.0
443.15518	7.4
445.17178	2.5
461.21008	4.9
468.15143	4.2
469.15485	3.4
487.18277	1.1
505.14304	7.4
505.19800	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	504.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67093	1.0
61.02944	1.0
61.91243	1.0
61.98835	100.0
65.55785	0.9
71.34682	1.0
71.35001	1.7
88.75244	1.2
100.86055	1.1
102.12679	1.1
166.39131	1.2
188.62297	1.0
279.86755	1.1
289.88809	1.1
387.24814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0988
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
57.79564	0.1
59.01384	0.9
59.83716	0.2
61.98837	0.2
63.02396	0.6
65.00320	1.3
65.87068	0.2
71.01376	0.3
83.01401	0.9
91.01910	0.4
93.03476	0.4
101.02453	0.2
107.01398	3.1
108.02203	1.9
109.02984	1.7
111.00875	0.3
119.01435	0.3
121.02969	2.1
123.00926	0.2
124.01700	0.3
125.02446	0.5
125.88593	0.2
133.02959	0.2
135.00882	1.0
137.02408	0.2
143.05086	0.2
148.01682	2.2
149.02461	0.5
151.00389	11.1
152.00708	0.4
153.01949	0.3
159.04488	0.4
161.02562	0.3
163.00400	2.8
163.01685	0.3
164.01210	1.0
165.01884	0.2
167.05038	0.2
169.01445	0.6
171.04527	0.4
175.04031	0.4
178.99883	5.7
180.00188	0.3
183.04527	0.5
185.06087	0.1
187.04030	0.6
188.04790	0.2
189.05464	0.2
190.99945	0.3
192.00676	0.4
193.01352	0.2
198.03152	0.3
199.03992	1.0
201.01863	0.2
201.05533	0.4
202.02650	0.2
203.03563	0.6
211.03992	1.5
212.04613	0.2
213.01886	0.3
214.02542	0.3
215.03595	0.9
216.04233	0.7
226.02705	2.1
227.03520	3.6
228.03987	0.5
229.05150	0.7
229.69202	0.3
239.03470	0.5
242.02309	0.2
243.02980	13.1
244.03404	1.3
245.04488	1.3
254.02205	2.9
255.02985	31.3
256.03333	2.8
257.04507	0.3
271.02472	67.7
272.02914	7.7
273.03979	1.0
283.02481	1.4
299.02045	1.5
300.02765	100.0
301.03458	47.2
302.03918	4.0
343.04562	0.3
463.08826	3.4
464.09244	0.5
505.09851	70.6
506.10205	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1565
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
55.01868	0.3
56.35765	0.3
58.00587	0.3
59.01383	7.7
61.98838	2.6
65.78184	0.4
71.01389	5.8
71.70615	0.5
72.99306	0.5
73.02934	0.9
74.90827	0.3
75.00887	0.4
83.01395	0.5
85.02939	2.0
87.00881	0.9
89.02464	5.5
95.05092	0.5
97.02958	0.3
97.81838	0.3
101.02458	4.1
101.06071	0.3
107.05070	0.3
109.02977	1.2
111.00880	0.4
113.02465	2.7
116.93118	0.3
117.03482	1.1
117.66859	0.3
119.03526	2.2
119.05051	1.2
121.02973	0.6
123.04551	0.9
125.02503	1.4
131.03529	0.5
131.12616	0.3
132.02206	1.2
133.02977	26.8
134.03436	1.0
135.03503	0.8
135.04544	16.2
136.04890	1.4
137.02484	0.9
145.03023	0.5
147.06653	0.8
149.02475	1.2
149.06087	0.8
161.02467	100.0
162.02797	5.7
163.04028	0.7
163.06143	0.5
167.03506	0.6
175.03995	0.5
177.05583	1.8
178.05869	0.3
179.03525	15.0
180.03922	1.4
181.04036	0.3
181.07207	1.3
197.04602	0.5
203.03604	0.4
221.04552	2.7
251.05658	1.4
253.07303	0.3
278.80566	0.4
281.06604	2.4
282.07199	0.4
341.08908	0.5
343.10242	1.3
367.78812	0.3
385.09518	1.6
415.10422	1.3
505.15640	80.5
506.15930	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	503.3379
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
56.61831	0.2
59.01381	1.4
61.18111	0.2
61.98823	0.6
69.03459	0.2
71.01371	0.4
71.05019	2.0
71.22719	0.2
72.99313	0.6
73.02954	0.3
81.76978	0.1
83.05037	0.6
86.02782	0.2
118.82653	0.2
125.09737	0.7
137.51286	0.1
141.33459	0.2
156.34572	0.2
193.56287	0.2
209.11807	0.2
309.22717	0.2
379.30096	0.2
381.27914	0.4
395.29337	0.2
397.31274	1.4
411.32501	0.2
413.34409	2.1
414.34573	0.4
415.32086	0.3
423.32642	0.3
439.31982	0.2
441.34039	1.0
443.31815	0.2
457.33243	9.5
458.33649	1.5
459.30344	0.6
459.35059	0.9
460.36111	0.2
479.57318	0.2
485.32843	1.2
486.33078	0.3
503.33789	100.0
504.34122	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	503.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01383	2.5
60.99308	1.2
61.98830	2.2
69.50484	0.5
69.50890	1.9
71.01418	0.3
71.05024	1.1
72.05313	0.3
73.02921	0.3
86.36167	0.3
121.02959	0.8
125.66560	0.2
135.30260	0.2
136.04909	0.2
203.14355	0.3
234.62944	0.2
248.72691	0.3
325.21338	0.3
327.22586	0.5
381.31726	0.4
383.29755	0.7
385.22986	0.6
391.30002	0.4
411.28699	1.1
411.32919	0.8
412.28787	0.6
413.29852	4.9
414.30704	0.4
421.31177	0.5
429.26056	0.5
431.31342	0.3
435.28940	0.7
441.33786	8.2
442.33945	1.8
455.28107	1.1
456.28384	0.6
457.28772	10.7
458.28806	0.9
459.29843	2.7
459.35248	1.5
460.31390	1.0
473.32278	0.4
485.33359	2.8
486.33133	0.6
503.34491	100.0
504.34845	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	503.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01378	0.8
60.99306	1.1
61.98834	1.0
71.05022	0.4
73.02957	0.5
96.96153	0.1
98.20615	0.5
124.53597	0.1
124.55882	0.1
341.33456	0.1
373.27811	0.3
395.33267	1.8
396.33569	0.2
423.32620	0.2
441.33905	8.1
442.34128	1.5
457.33240	1.9
458.33734	0.5
459.35397	0.7
469.33548	0.2
485.33557	0.7
503.33765	100.0
504.34134	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	504.001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32559	0.3
59.01382	36.8
60.01722	2.8
61.01816	0.7
61.98836	100.0
69.49204	3.0
84.44865	0.3
87.47420	0.3
98.20594	0.7
132.98285	0.5
154.94705	0.3
157.03639	0.5
159.01483	0.5
161.01277	0.4
162.71915	0.3
174.99271	8.6
175.99612	1.3
176.98834	0.3
177.96654	0.6
178.98537	1.1
201.02544	5.6
202.02725	4.7
203.02295	6.1
204.00031	6.9
204.02727	1.5
205.00204	0.7
217.00316	34.2
218.00668	9.9
218.02451	0.2
219.00635	2.6
219.97771	55.2
220.99716	4.3
230.96996	0.4
276.44800	0.3
345.03366	0.5
346.00473	0.4
346.04071	0.5
347.03345	0.4
359.01468	2.4
360.01685	9.9
361.01367	12.4
361.98639	29.8
363.00449	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3381
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
54.15615	0.5
56.44964	0.5
57.03429	1.1
58.00587	0.8
59.01385	6.9
60.99310	2.4
60.99567	0.5
61.98835	24.0
68.80402	0.4
69.03461	0.9
70.62028	1.8
71.01387	1.6
71.05029	26.7
73.02938	1.2
82.57246	0.5
83.05041	1.5
84.57984	0.4
85.02974	1.1
85.06609	1.1
89.02461	0.7
97.06609	1.8
100.67258	0.5
101.02460	1.2
113.02496	0.8
119.95394	0.6
120.61541	0.5
123.08132	0.7
136.33182	0.6
161.02412	0.5
205.16022	5.5
307.20547	0.8
321.22296	1.5
323.23553	1.0
337.25424	3.4
338.25803	0.8
339.26871	1.7
349.25427	0.9
351.26846	3.5
352.27280	0.9
353.24896	0.9
355.26410	1.7
367.26407	2.2
369.28012	9.4
370.28406	1.9
379.30173	1.4
387.30719	3.5
388.30551	0.7
389.27014	7.5
390.27115	1.0
393.27988	0.9
397.31430	0.6
399.25473	1.4
401.27023	0.7
405.31595	0.9
407.29654	3.0
409.31500	2.3
413.27039	5.3
414.27377	0.9
421.31360	3.7
423.32739	22.5
424.32983	4.4
425.30798	1.2
429.30099	1.5
437.30841	1.1
439.32364	6.4
440.32809	1.2
441.33969	60.6
442.34329	12.9
455.31934	3.1
459.30368	4.3
460.31238	1.0
467.31726	4.5
468.32126	1.1
473.33154	5.8
474.33551	1.0
485.32791	68.5
486.33188	13.8
503.34589	100.0
504.33890	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.2
59.01369	0.7
60.99308	1.4
61.98824	0.4
62.90187	0.2
71.01401	0.2
71.05025	0.5
71.71113	0.3
73.02944	0.4
88.86372	0.1
97.06570	0.2
137.19038	0.2
285.20801	0.2
289.97754	0.2
337.25293	0.2
395.33246	2.1
396.33505	0.2
405.31717	0.4
421.31097	0.3
423.32770	0.7
425.34454	0.3
439.32159	0.3
441.33768	10.7
442.34158	1.6
457.33203	1.5
458.33774	0.2
459.30786	0.2
467.31638	0.2
469.33179	1.7
470.33444	0.4
483.31104	0.2
485.32785	0.6
502.33261	0.2
503.33786	100.0
504.34143	19.7
529.31903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3379
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
54.13934	0.2
59.01380	3.4
59.07878	0.2
60.99311	1.6
61.98825	0.7
70.85888	0.2
70.86234	0.5
78.95915	0.6
119.13501	0.2
152.99583	0.6
182.72881	0.2
214.76994	0.2
231.21252	0.3
245.04279	1.2
251.73351	0.2
272.46622	0.2
275.20218	0.7
393.34705	0.2
395.33112	0.7
396.33838	0.3
441.33801	11.9
442.34158	2.7
457.33600	0.4
473.31830	0.4
503.33771	100.0
504.34146	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3014
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
57.03428	0.5
58.00577	0.8
58.66397	0.2
59.01396	1.2
60.99311	1.9
61.98806	0.8
67.76019	0.2
70.90672	0.5
71.01373	0.6
71.05009	0.5
73.02956	7.0
84.02142	0.5
85.02947	0.5
89.65728	0.2
183.93909	0.2
258.03644	0.2
367.25894	0.3
367.29858	1.3
379.29977	0.6
381.27692	0.2
395.29395	0.6
397.31122	1.8
398.31299	0.4
439.31592	0.3
441.29950	10.5
442.30496	2.1
457.29303	0.4
459.30829	3.0
460.31192	0.8
485.28729	2.3
486.29599	0.5
502.32047	0.2
503.29910	100.0
504.30301	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	503.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55795	0.2
59.01372	0.8
61.98842	1.9
62.61106	0.3
71.01363	0.2
71.05025	6.1
71.28696	0.5
78.83054	0.2
79.53978	0.2
85.03010	0.2
86.01323	0.2
105.56667	0.2
123.08125	0.4
130.99982	0.3
153.53369	0.2
162.33820	0.3
173.21448	0.2
184.49426	0.3
192.90256	0.3
258.87448	0.3
341.25043	0.6
423.29086	0.5
439.28616	0.8
441.30115	12.1
442.30640	2.8
457.29382	1.4
459.31131	8.7
460.31491	2.1
485.29062	13.7
486.29355	3.0
503.30112	100.0
504.30460	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	503.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01382	2.0
60.99294	0.5
61.98844	1.8
68.42723	0.2
71.01373	1.0
71.70721	0.2
85.02943	0.3
89.02452	0.4
101.02447	0.7
113.02424	0.4
119.03466	0.3
128.52948	0.2
248.24872	0.2
323.25867	0.9
341.26877	0.7
367.29993	0.3
411.24155	0.4
411.29303	2.5
412.29611	0.6
425.26984	1.3
426.27191	0.3
427.28546	2.8
428.28741	0.5
429.30154	5.3
430.30127	0.8
440.48944	0.3
441.29715	2.4
442.30316	0.4
446.67111	0.2
455.27899	0.9
459.31281	0.5
473.28983	12.6
474.29178	2.4
485.28796	0.4
503.30054	100.0
504.30383	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86411	0.3
59.01381	100.0
60.01725	1.0
61.98833	13.4
71.05025	0.5
71.71071	0.5
73.58186	0.3
80.18886	0.3
83.00110	0.4
83.08078	0.3
106.24017	0.4
117.38237	0.4
126.43065	0.3
140.92354	0.4
196.22343	0.4
301.54944	0.4
325.83215	0.4
364.20026	0.4
413.30649	0.9
446.30609	0.9
457.33478	1.4
467.31882	1.3
503.34070	1.7
504.34222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.0
59.01391	6.4
60.99308	1.4
61.98828	9.1
65.37573	0.8
69.49792	8.9
71.01377	1.7
71.05028	4.5
71.55991	0.8
73.02957	2.4
83.05035	1.5
84.02176	11.7
85.02959	1.7
94.73259	0.8
95.50436	0.9
98.19707	1.0
136.59700	0.8
180.09053	0.9
279.51617	1.3
330.35822	1.2
413.30414	2.0
421.31268	1.2
423.33353	1.2
439.32047	2.2
441.29868	7.1
441.34241	4.2
442.30075	1.2
459.35666	4.4
485.28970	63.8
486.29309	12.7
502.32520	6.1
503.34186	100.0
504.27283	1.4
504.34625	16.6
521.34442	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03216	0.5
57.03437	3.1
58.00589	5.7
59.01380	100.0
60.01707	0.9
60.91385	0.5
61.98830	9.2
69.03444	0.7
69.74910	0.5
69.75241	4.1
70.60734	0.5
71.01387	71.6
72.01724	1.3
72.99309	5.1
73.02943	2.8
75.00874	7.0
81.03442	0.5
83.01392	2.7
83.07178	0.5
85.02960	12.6
87.00877	6.0
89.02454	87.0
90.02794	1.3
93.03477	2.4
95.01391	4.7
96.96020	1.2
97.02955	1.0
99.00871	1.5
99.04549	1.2
101.02457	36.2
102.02789	1.0
107.03500	1.0
108.02169	0.5
109.02972	1.0
111.00879	1.9
113.02464	26.5
114.02783	1.2
116.92901	3.5
119.03519	35.5
119.04996	2.2
120.03825	0.9
121.02936	1.0
123.04600	0.8
124.01597	0.6
125.02489	2.9
131.03513	4.7
132.02213	0.9
133.02985	11.9
134.03740	1.2
135.04535	7.6
137.02435	1.7
143.03537	10.3
146.08226	1.3
147.04546	4.9
149.02457	2.0
149.04575	3.2
149.05872	0.5
150.03230	0.6
151.03972	0.8
159.04239	0.5
160.01625	1.0
161.02470	42.5
161.04504	11.2
162.02823	0.7
163.03946	1.6
164.04790	2.1
165.05571	5.3
166.05850	0.6
175.00310	0.6
175.03941	1.0
175.14838	1.2
177.01894	0.9
177.05557	1.3
178.02795	0.6
179.03494	6.0
179.05632	45.5
180.06532	5.0
190.02679	2.1
190.64876	0.5
193.05000	1.1
194.32417	0.6
197.08105	2.3
203.14323	0.6
205.04971	2.0
206.08101	0.6
207.06642	2.6
208.03755	1.2
221.04518	1.4
223.06149	3.2
233.15468	11.5
234.15689	1.1
245.15392	1.9
251.59407	0.6
265.07089	1.1
281.06699	0.7
287.16434	2.2
297.08237	0.7
323.07523	2.7
341.10901	6.5
405.94849	0.6
413.21771	6.1
414.21848	0.8
425.21323	0.8
443.19324	0.7
467.22504	1.4
468.14404	0.9
503.13458	9.1
503.25433	0.7
504.15051	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
58.00608	0.8
59.01383	27.6
61.98830	8.8
69.03445	0.9
69.50900	3.4
69.51326	2.6
71.01389	18.4
72.99326	1.8
73.02966	3.8
73.26233	0.6
75.00888	1.5
79.06421	0.6
83.01400	1.8
85.02956	5.0
87.00880	2.1
87.04527	0.8
88.98805	0.6
89.02457	17.4
91.01938	0.7
93.03469	1.9
95.01403	1.1
95.24390	0.7
97.02946	0.6
98.19868	0.8
99.00919	1.0
99.04507	0.7
101.02456	9.0
111.00914	1.8
113.02480	6.4
115.00439	0.8
115.04092	0.7
116.63685	0.5
116.92876	2.6
117.03471	1.9
118.64397	0.6
119.01414	1.5
119.03540	6.1
119.05002	0.8
121.02988	3.7
125.02502	1.2
129.02037	0.6
132.02202	7.0
133.02991	1.1
134.02708	1.2
134.03764	24.9
135.04228	1.3
135.06674	1.9
136.01596	0.6
137.02446	1.2
143.03531	1.9
144.35289	0.6
147.00955	1.8
147.04553	6.9
147.06593	0.9
148.04845	0.7
149.02478	10.8
149.05005	0.7
149.06091	3.7
150.03036	0.8
160.01686	41.8
161.02371	4.4
161.04614	2.1
163.04022	2.2
164.03488	0.9
164.04816	10.9
164.07001	0.6
165.05597	7.8
165.07698	3.9
166.05920	0.9
175.00424	13.3
175.04031	52.1
176.00812	0.7
176.04456	3.6
177.01976	0.9
178.02689	1.3
179.03600	1.7
179.05637	5.0
179.07166	1.5
190.02747	43.3
191.03220	2.9
191.07132	3.9
192.04457	0.7
193.05084	34.4
194.05350	2.9
195.06592	1.0
203.08298	2.4
205.05083	42.1
206.05499	3.8
207.06680	4.8
207.08508	1.2
208.06856	0.8
217.05139	0.8
223.06126	19.2
223.08304	1.0
224.06499	2.3
225.07744	0.8
233.15491	1.5
235.06116	7.4
236.06554	1.1
265.07202	4.9
295.08359	1.9
309.12244	0.8
327.13159	0.9
337.09286	0.9
342.14542	3.0
367.10190	0.7
413.10339	0.7
413.21936	1.1
503.17734	100.0
504.18085	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	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82976	0.5
57.03443	2.3
58.00614	0.6
59.01381	12.7
61.98835	2.0
65.19688	0.6
71.01384	8.0
71.03764	1.4
71.09096	0.5
72.01721	0.9
73.02966	1.4
74.02493	0.6
75.00889	1.1
83.01409	1.5
83.05110	0.6
85.02964	2.6
87.00880	2.3
89.02448	4.3
93.03475	0.7
95.01405	0.6
97.02972	1.0
98.20549	0.6
99.00895	1.0
99.04510	0.9
101.02479	5.2
109.02976	2.2
111.00897	0.6
113.02477	2.4
117.03495	1.2
119.03531	1.5
119.05066	0.6
121.02989	1.4
123.00936	1.1
123.04520	0.8
123.08229	0.7
125.02467	9.0
126.22006	0.6
132.02213	0.7
133.02985	15.3
134.03790	4.1
135.04553	71.6
136.04897	4.4
137.02481	5.2
139.04085	0.8
139.27429	0.6
147.04533	1.1
148.05310	2.7
149.02423	1.4
149.06117	17.8
150.03304	0.6
150.06468	1.0
151.00383	0.7
153.01935	1.7
159.04504	0.6
161.02472	66.0
162.02812	3.9
163.04045	0.7
172.21989	0.6
175.03984	1.1
177.02037	2.3
177.05591	34.1
178.02789	1.4
178.05890	3.3
179.03520	100.0
180.03880	4.5
187.25487	0.5
197.04594	2.3
203.03499	2.6
221.04565	59.4
222.04897	4.8
233.04494	1.6
251.05615	19.7
252.05963	0.7
281.06686	40.9
281.13806	7.1
282.07135	2.9
305.06625	0.8
323.07703	3.9
327.09024	0.6
341.08752	19.7
342.09122	1.9
383.09833	28.1
384.10211	2.9
400.37054	0.6
413.10904	26.1
414.11258	3.1
431.11780	2.2
443.11935	87.7
444.12292	10.5
503.13928	10.4
504.14594	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76411	0.5
57.03452	1.7
59.01381	10.7
61.87172	0.6
61.98833	4.7
69.87592	3.5
71.01394	9.3
72.99323	1.0
73.02962	2.2
75.00876	4.1
81.03484	1.3
83.01424	1.5
85.02969	3.0
87.00886	2.7
88.45362	0.6
89.02458	5.8
95.01384	0.7
96.96028	2.3
97.02936	1.1
99.00897	1.1
99.04504	0.7
101.02469	6.7
105.03481	0.9
107.05048	0.8
109.02979	1.4
111.00916	0.6
111.04523	0.7
113.02458	4.7
119.03525	1.9
121.02970	1.6
123.04549	1.0
125.02488	4.7
132.02208	2.3
133.02975	30.3
134.03862	3.3
135.04544	52.4
136.04912	2.5
137.02455	1.9
139.04073	0.8
143.03487	1.2
147.04543	1.0
148.05389	1.2
149.02489	1.2
149.06111	6.4
151.00374	0.6
151.04068	0.7
153.01985	0.8
153.05612	1.1
159.04533	1.6
161.02466	100.0
162.02817	6.0
164.04823	0.6
165.05537	0.6
175.03993	1.1
177.01947	1.7
177.05579	10.3
177.07077	0.8
178.05978	0.7
179.03519	56.7
180.03905	3.5
187.04050	1.0
189.05605	2.3
190.02625	0.6
191.03520	0.9
203.03540	1.3
205.04987	0.8
207.06610	0.9
221.04561	16.2
222.04854	1.5
224.81903	0.6
233.04543	2.6
237.06178	2.0
245.04428	0.7
249.67589	0.6
251.05602	17.2
252.06042	1.0
281.06696	16.1
282.07071	1.4
303.05161	1.7
305.06677	0.8
323.07697	20.2
324.08078	2.2
341.08395	13.8
342.09128	1.4
383.09882	6.6
384.10132	0.8
395.09854	3.3
413.10953	8.3
414.11325	1.3
443.11932	14.6
444.12381	1.6
490.08899	0.6
503.14011	41.0
504.14435	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	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60143	0.2
56.01745	0.3
59.01381	8.1
60.99310	1.7
61.98835	100.0
71.71998	0.3
71.72388	0.3
176.22081	0.3
263.75992	0.3
379.29849	0.6
380.30524	1.8
408.29721	0.4
426.30673	0.5
439.31418	0.8
440.32675	2.4
459.34448	0.3
467.31921	1.4
467.36856	0.3
469.32791	0.6
470.33087	0.6
501.30634	3.7
502.31857	19.9
503.33005	2.9
523.66833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90232	1.7
59.01381	40.0
67.05174	1.5
71.23380	1.5
71.30734	3.4
72.99313	4.0
89.02467	2.3
89.39278	1.6
119.05067	8.2
147.04541	100.0
148.04839	4.8
165.05588	89.2
166.05934	6.7
207.06644	46.4
208.06920	4.1
290.67511	1.8
319.26767	1.7
511.79150	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98832	100.0
62.98547	0.2
63.39762	0.2
63.77010	0.2
68.19927	0.1
70.79564	0.4
70.79962	0.4
71.05022	0.3
87.00097	0.2
128.82037	0.2
158.33551	0.2
160.65034	0.2
165.90608	0.2
191.39810	0.2
308.49564	0.2
322.60254	0.2
381.66766	0.2
394.32056	0.2
412.33176	0.2
458.33630	0.6
492.87967	0.2
501.32138	2.3
502.32541	13.0
503.33380	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	502.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88287	0.3
53.07328	0.3
59.01372	2.5
61.98832	100.0
70.86820	0.6
189.18709	0.3
203.61417	0.3
206.75800	0.3
246.19598	0.4
253.21696	0.9
294.45514	0.3
328.54349	0.3
333.87036	0.3
353.13226	0.3
355.29767	0.4
501.31949	0.8
502.32553	6.5
503.28366	0.8
503.34039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
60.99303	1.6
61.98824	0.8
69.42278	1.8
72.95496	0.2
79.16516	0.2
85.53007	0.2
89.47388	0.1
113.31692	0.1
116.46041	0.2
120.13586	0.1
257.41705	0.2
300.89862	0.2
365.28159	0.2
397.31149	0.2
409.31055	0.6
425.30902	0.2
439.32202	11.1
440.32562	2.0
441.36551	0.2
455.31735	0.7
457.33319	0.4
471.31067	0.7
475.92825	0.2
483.31039	0.4
501.32205	100.0
502.32553	21.3
502.40317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3588
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
61.98845	0.2
62.09722	0.1
69.69772	0.1
70.86485	0.3
89.84198	0.1
164.28506	0.1
168.69365	0.1
236.78320	0.2
238.39227	0.1
355.26447	0.5
469.33325	1.4
470.33759	0.3
500.34485	0.5
501.35791	100.0
502.36166	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	501.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30467	0.2
59.01381	2.2
59.61406	0.2
60.99315	0.3
61.98047	0.2
61.98832	1.5
70.27885	0.4
70.28298	1.0
71.05033	3.0
83.05046	0.3
83.41698	0.2
87.04535	0.3
101.02487	0.3
101.06109	2.6
158.35753	0.2
163.11296	0.5
163.68492	0.3
172.27568	0.2
185.49084	0.3
243.89209	0.3
259.94772	0.2
337.21692	1.3
353.24802	0.4
370.21387	0.4
379.30093	0.3
387.27286	0.2
407.29550	0.3
417.03329	0.3
425.30542	0.5
439.32022	0.6
441.30243	1.5
442.30341	0.3
455.31519	0.3
457.33301	2.2
469.29706	0.3
471.31104	0.3
483.31198	8.8
484.31586	1.6
501.32224	100.0
502.32571	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	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01379	0.6
60.99311	7.6
61.98512	0.2
61.98835	3.8
69.03455	0.2
71.72092	0.2
74.42803	0.1
76.59383	0.1
92.93375	0.1
229.15909	0.1
243.17513	0.3
245.19095	4.2
246.19350	0.4
263.20096	0.1
272.54620	0.1
291.21252	0.2
296.91498	0.1
305.31396	0.1
337.25131	0.2
349.25140	0.1
361.29050	0.3
363.27042	0.7
364.27133	0.1
365.28543	1.3
366.28909	0.2
373.25302	0.1
377.28513	0.2
379.30090	9.8
380.30392	1.6
381.31699	0.2
391.26324	0.1
407.29565	1.8
408.29971	0.3
409.27390	0.1
425.30688	1.6
426.30768	0.3
439.32217	12.8
440.32584	2.6
455.31476	0.5
457.33621	0.2
461.82468	0.1
501.32205	100.0
502.32559	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	501.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39487	0.2
60.99272	0.3
62.10221	0.2
62.63261	0.2
69.57143	1.5
72.43751	0.2
76.10175	0.2
76.50732	0.2
126.14672	0.2
161.45963	0.2
166.29466	0.2
175.11287	0.7
189.12830	1.0
262.61569	0.3
377.28409	0.8
378.15845	0.3
379.30060	0.9
413.34216	1.8
414.34406	0.3
423.29065	18.2
424.29355	3.8
439.32172	21.4
440.27039	0.4
440.32541	4.7
457.33212	8.0
458.33603	1.6
458.41483	0.2
483.31134	2.4
484.31726	0.5
501.32193	100.0
502.32535	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	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45763	0.2
58.34060	0.3
60.99298	1.1
69.60835	2.4
108.54868	0.3
128.31001	0.3
214.49783	0.3
388.15414	0.3
409.26544	0.5
409.31424	3.2
410.31650	0.6
423.29132	1.7
424.29318	0.4
425.30640	3.6
426.30994	0.4
427.32233	7.1
428.32477	1.3
435.39630	0.3
439.32294	1.7
440.32361	0.4
444.93689	0.3
453.30032	1.0
460.29660	0.3
471.31165	17.1
472.31577	3.4
501.32217	100.0
502.32535	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35013	0.2
50.83427	0.2
53.48272	0.2
54.68159	0.2
57.03442	1.2
57.95230	0.2
59.01366	0.8
63.96564	0.2
67.29732	0.2
69.03467	0.9
69.33151	0.2
71.01365	0.3
71.41872	0.4
72.23657	0.2
78.95909	2.1
83.05019	0.3
91.18572	0.2
100.37014	0.2
126.26740	0.2
152.20538	0.2
168.04337	0.5
193.50694	0.2
195.99796	0.2
224.06944	0.5
233.22739	0.3
242.07986	1.4
246.87621	0.2
277.21719	37.7
294.06958	0.2
337.25436	0.3
355.26651	0.2
367.26291	0.3
429.30405	0.2
439.32330	0.2
441.30170	0.2
455.31702	0.4
457.33243	2.7
458.33612	0.7
501.32208	100.0
502.32867	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
59.98532	0.3
60.99298	0.4
61.98825	0.5
63.22652	0.1
63.50208	0.1
69.03451	0.1
69.43106	0.3
69.43528	0.7
71.05028	1.5
85.06604	0.3
95.05032	0.1
97.06607	0.4
109.11807	0.1
110.03816	0.2
123.08192	0.3
125.06078	0.3
125.09750	0.1
189.12834	0.3
195.05276	0.1
235.17012	0.2
237.18637	0.2
241.88887	0.1
259.20831	0.1
341.28430	0.3
355.30029	0.3
361.24985	0.1
370.69000	0.1
377.28381	2.0
377.32632	0.2
378.28870	0.2
385.27435	0.3
386.27646	0.1
391.30130	0.2
393.31696	2.4
394.32001	0.3
395.29056	0.2
395.33334	0.3
409.31433	0.2
411.32687	2.7
412.33139	0.4
413.34174	0.9
414.34689	0.2
425.30814	0.3
429.26712	0.2
429.33557	0.1
437.30826	0.3
439.32498	0.3
455.31735	0.4
457.33270	5.2
458.33606	1.2
483.31046	0.2
501.32202	100.0
502.32541	21.0
528.45276	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	501.3221
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
52.24758	0.3
54.07091	0.3
59.01371	0.7
60.99312	4.7
61.47227	0.2
61.98824	1.7
62.35911	0.3
65.01488	0.3
71.71331	0.4
100.85600	0.3
119.54288	0.3
123.40782	0.3
313.21570	0.3
316.10266	0.3
337.25327	0.4
363.26886	0.8
365.28522	1.1
379.25766	0.3
379.30133	5.8
379.34827	0.5
380.30435	1.0
407.29581	1.4
418.20038	0.3
425.30627	1.2
439.26392	0.5
439.32199	9.7
440.32675	1.8
455.31540	0.6
457.33258	0.8
501.32196	100.0
502.32544	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	501.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45927	0.1
58.07292	0.1
59.01371	0.2
60.99309	1.8
61.98797	0.1
67.28786	0.1
78.85020	0.1
229.97925	0.1
375.30695	0.2
393.31650	0.2
439.32184	13.2
440.27225	0.1
440.32458	2.6
455.31802	0.9
456.32016	0.2
457.33237	2.7
458.33618	0.4
483.31372	0.3
501.32190	100.0
502.32535	22.7
503.29681	0.2
519.33087	1.6
520.33203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99304	1.1
70.57361	0.4
70.57761	0.5
81.94683	0.2
98.20629	0.2
127.37965	0.2
150.94695	0.2
409.31458	4.7
410.31427	1.0
423.29224	2.0
424.29553	0.4
425.30618	4.7
426.31088	0.6
427.32187	9.5
428.32495	1.5
439.32202	3.8
440.32462	0.7
453.30200	1.2
469.29846	0.3
471.31174	32.2
472.31537	5.6
483.31100	0.4
501.32220	100.0
502.32547	19.7
505.24625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13648	0.2
67.12849	0.2
68.99185	0.2
70.46727	0.6
70.47138	0.4
107.78556	0.2
108.62271	0.2
139.28058	0.2
179.75995	0.2
363.26834	0.3
378.36795	0.3
383.32550	0.2
405.40955	0.2
407.26004	1.1
423.29068	16.5
424.29370	3.3
439.32202	25.0
440.32526	5.4
457.33292	7.8
458.33228	1.3
483.31088	3.4
484.31665	0.6
501.32224	100.0
502.32574	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	501.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22687	0.3
57.03432	0.3
59.01382	4.3
60.99298	0.3
61.98823	1.8
65.49265	0.3
69.58838	2.5
71.01368	0.9
71.05027	12.3
72.05376	0.3
81.37247	0.3
83.05033	0.3
85.02957	0.5
98.20601	0.6
101.02438	0.3
113.02458	0.3
341.24814	0.4
395.29504	0.3
411.29114	1.4
413.30643	1.4
429.29913	1.1
437.30710	0.6
439.27652	2.1
439.33124	0.6
440.28888	0.4
455.27759	1.7
456.27985	0.4
457.29565	19.8
458.29919	3.4
483.09879	0.3
501.28394	100.0
502.28769	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	501.2858
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
54.60888	0.1
55.35500	0.1
57.03426	0.7
59.01396	0.8
60.99287	0.3
61.98823	0.4
62.06800	0.1
63.60674	0.2
71.05024	1.8
83.05035	1.7
87.04524	1.8
98.20615	0.7
110.45546	0.2
128.42195	0.1
134.92696	0.2
146.52657	0.2
152.07893	0.2
183.01222	0.2
203.14282	0.2
205.15915	0.5
215.14386	0.4
230.04430	0.2
230.06764	0.2
299.23734	1.3
301.25409	2.9
302.25763	0.4
333.65625	0.2
335.23810	0.2
341.24728	0.4
345.24451	0.2
365.28131	0.3
367.30215	1.2
369.31689	3.0
370.31790	0.4
393.27780	0.3
395.29645	1.9
396.29883	0.3
409.30994	0.7
411.29062	0.5
413.30753	1.0
437.30508	0.3
439.32761	4.2
440.32260	0.7
453.30057	0.4
455.28000	1.6
456.28091	0.3
457.29596	21.3
458.29926	4.3
471.31299	0.4
483.30991	0.2
501.28360	100.0
502.28683	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17808	0.3
59.01370	0.9
60.99310	0.6
61.98823	0.7
70.52896	1.2
71.04673	0.5
71.05031	6.4
72.05374	0.4
73.64590	0.3
81.46636	0.3
87.86977	0.3
95.05048	0.7
98.19941	0.4
135.08186	0.3
182.93050	0.3
188.85922	0.3
204.20187	0.3
215.85185	0.3
216.01154	0.3
219.13956	2.5
226.94324	0.3
229.99509	0.3
325.21747	16.2
326.22055	2.5
339.23386	0.8
340.24130	2.3
341.24811	0.5
369.20636	0.5
372.23001	2.1
383.22287	17.0
384.22629	2.6
393.27789	0.5
409.27332	1.6
411.29028	16.5
412.29529	2.8
416.22098	0.3
421.30997	1.0
439.32278	5.6
440.32492	0.8
455.28033	100.0
456.28372	19.0
457.33484	0.6
471.31418	0.7
483.31180	0.5
501.28879	18.9
501.32077	24.9
502.29010	4.8
502.32822	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	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39031	0.2
57.75612	0.3
59.01379	74.4
60.01717	0.8
61.98827	0.5
70.99741	0.5
72.99339	0.2
83.82682	0.2
90.97113	0.4
91.64591	0.2
118.96667	0.2
132.98238	1.7
144.80000	0.2
150.16046	0.2
157.03571	2.6
159.01514	1.6
174.99260	22.7
175.99655	0.4
201.02565	30.9
202.02719	2.8
208.55414	0.2
217.00308	100.0
218.00682	2.6
218.98262	0.3
228.65778	0.3
276.05188	0.2
343.03677	2.5
344.03809	0.4
359.01474	68.6
360.01694	10.2
409.14441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24179	0.3
55.01887	0.4
59.01387	1.4
61.98828	2.4
67.01879	0.6
71.01392	1.5
71.70354	0.3
71.70789	0.5
72.00912	0.4
73.02931	0.4
73.37318	0.3
75.00891	0.4
82.34175	0.3
85.02972	0.8
87.00875	0.4
89.02467	1.0
94.50745	0.3
95.01422	0.6
96.96040	0.6
101.02456	1.2
105.07113	0.5
107.01413	0.3
113.02433	0.4
117.07126	0.6
119.05053	1.6
123.04533	0.5
125.02470	0.7
133.06616	0.4
135.04578	0.9
137.06056	0.5
139.00381	0.6
145.06650	0.5
147.04543	2.1
149.02472	1.0
149.06006	0.4
151.04019	0.4
151.07658	0.5
157.52467	0.4
159.04486	0.9
159.54420	0.3
161.02466	1.1
161.04686	0.7
161.06126	1.9
163.04042	2.0
164.07201	3.4
165.07549	1.2
171.04552	0.4
173.02434	0.7
173.06113	0.4
174.03279	0.6
175.04008	1.4
176.04803	0.6
177.01965	1.0
177.05611	0.7
179.03406	0.5
187.04085	0.4
189.01959	1.4
189.05583	1.0
190.02719	1.0
191.03519	3.6
192.03915	0.5
193.05063	0.6
195.01358	0.3
201.05540	0.8
203.03511	3.3
204.04309	4.8
205.05083	23.7
206.05461	1.2
208.03775	0.5
215.03531	2.3
217.05084	2.7
219.03030	2.9
220.03535	0.5
221.04593	0.7
231.03023	2.9
232.03671	1.8
233.04556	9.4
234.04927	0.7
236.03267	3.5
243.02939	1.8
245.04494	4.0
259.02512	1.1
261.04050	47.0
262.04385	4.6
263.05624	1.1
264.02667	1.6
273.04065	5.8
274.04565	0.4
275.05557	0.6
279.10916	0.7
285.04175	0.5
287.05389	0.3
289.03534	0.5
291.05118	25.8
292.05457	2.5
303.05133	2.9
315.05026	0.4
317.06949	0.4
321.06268	1.8
333.06219	1.3
379.92700	0.4
381.08304	14.1
382.08612	1.4
411.09290	4.7
412.09717	0.6
423.09503	0.5
483.11249	0.5
501.12494	100.0
502.12814	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	499.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49863	0.1
55.62999	0.2
56.49440	0.1
59.01368	0.2
61.98829	0.3
70.91853	0.5
94.91655	0.1
103.53313	0.2
112.50166	0.2
129.96761	0.2
148.31732	0.2
157.06978	0.2
199.77367	0.1
201.01338	0.2
309.64813	0.2
499.34302	100.0
500.34665	21.8
502.58096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06077	0.1
68.99335	0.1
71.04597	0.3
71.04942	0.2
80.59021	0.1
103.96796	0.1
111.53513	0.1
124.94133	0.2
137.64565	0.1
142.31566	0.1
144.65250	0.2
208.73608	0.1
326.07822	0.1
380.88611	0.1
499.34283	100.0
500.34641	20.9
510.61142	0.1
520.60144	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	500.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33151	0.5
57.03468	0.7
58.00587	1.0
59.01380	39.3
68.65598	0.5
70.28033	0.9
70.28417	0.8
71.01386	30.4
72.99311	1.3
73.02917	0.7
82.03004	0.6
83.01395	0.7
83.42652	0.5
85.02966	4.0
86.02827	0.5
87.00877	1.3
89.02454	40.8
89.56985	0.6
90.02774	1.1
94.02824	0.5
95.01385	1.7
101.02457	15.4
105.38272	0.4
112.04056	1.1
112.07684	1.8
113.02467	12.5
114.02820	0.7
119.03528	14.0
119.13490	0.5
120.03862	0.6
131.03526	1.7
137.69019	0.5
140.07220	1.7
143.03513	3.6
149.04562	1.1
156.06653	3.8
158.04663	3.3
158.08243	70.9
159.08717	2.9
161.04561	3.3
179.05637	15.7
180.06024	0.7
199.70920	0.5
320.13464	1.0
341.10904	100.0
342.11261	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	500.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53806	0.3
56.84015	0.4
57.03439	1.0
58.00583	1.3
58.54599	0.4
59.01383	38.1
60.01723	0.7
60.53641	0.4
65.85643	0.4
69.77587	2.0
70.83493	0.4
71.01388	26.9
72.01730	0.6
72.99309	1.6
73.02947	0.9
83.01402	1.3
84.10301	0.4
85.02956	4.1
87.00886	2.4
89.02454	39.6
90.02783	0.8
95.01408	1.5
97.02964	1.2
98.19954	0.6
101.02462	16.6
110.06139	0.4
111.00947	0.5
112.04046	0.9
112.07716	1.3
113.02464	11.6
115.00314	0.4
115.04041	0.8
119.03525	12.5
120.03881	0.5
126.87626	0.4
131.03517	1.8
140.07176	1.6
143.03539	2.8
149.04568	0.7
156.06691	5.0
158.04701	1.9
158.08250	64.9
159.02988	2.3
159.08717	2.3
161.04584	3.7
179.05641	17.7
180.05968	0.8
320.13382	0.8
341.10910	100.0
342.11243	8.1
376.83249	0.4
378.71423	0.4
478.68973	0.4
500.20319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3065
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
54.81717	0.2
56.54106	0.2
58.27613	0.2
59.01367	0.7
61.98821	0.2
66.55111	0.2
70.86322	0.3
70.86671	0.4
83.05018	1.0
95.05035	0.3
125.73117	0.2
181.19745	0.2
197.36690	0.2
198.69275	0.2
250.26440	0.2
271.22751	0.9
295.20465	0.2
311.24039	0.3
313.25400	1.5
315.26904	0.7
321.49673	0.2
381.31430	0.4
391.25894	0.3
391.30377	0.4
406.29507	0.2
407.29437	0.9
409.31213	4.5
410.31387	1.1
425.30420	0.6
427.32159	2.3
428.32468	0.5
453.04761	0.2
453.30112	3.4
454.30548	0.7
455.31647	13.5
456.26114	0.2
456.32092	2.7
471.31192	2.1
472.31470	0.2
499.30652	100.0
500.31027	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	499.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.2
60.99306	6.7
69.63735	1.5
86.36440	0.2
112.72421	0.2
181.25496	0.2
196.05066	0.2
215.43935	0.2
337.25357	0.3
358.21692	0.2
405.31290	0.3
423.32736	6.0
424.33197	1.3
453.33517	0.5
499.34265	100.0
500.34616	22.4
500.42236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3429
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
50.03960	0.2
58.00581	0.4
60.99294	0.7
61.98809	0.3
69.11681	0.2
70.72715	0.7
75.48907	0.2
75.87627	0.2
75.88107	0.3
97.06566	0.2
98.20563	0.2
118.23808	0.2
123.08170	0.7
363.24692	0.2
377.28659	1.0
393.31494	0.4
405.27679	0.4
421.27289	1.8
423.33466	1.2
424.33310	0.3
427.28238	0.3
437.30615	10.6
438.31003	1.9
439.32150	0.3
453.33755	12.8
454.34180	2.6
455.35330	3.3
456.35516	1.0
471.35324	0.4
497.32574	2.1
498.33499	0.3
499.34265	100.0
500.34628	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	499.3426
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
55.84453	0.1
57.57547	0.1
57.57872	0.1
58.00583	0.2
60.99305	4.7
61.98821	0.4
69.43422	0.5
69.43850	0.8
82.29933	0.1
97.06599	0.2
107.53366	0.1
119.97015	0.1
156.91525	0.1
163.46532	0.1
337.25381	0.2
405.31589	0.3
423.32684	4.8
424.32965	1.3
437.30627	0.3
453.33957	0.6
465.79453	0.1
499.34241	100.0
500.34598	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	499.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	1.3
61.98821	0.3
63.52798	0.2
70.46918	1.1
76.00939	0.3
83.75670	0.3
154.67667	0.2
164.37091	0.2
165.66562	0.2
185.36882	0.3
216.31058	0.3
252.21440	0.3
363.26984	0.3
381.31516	0.3
391.30069	0.5
407.29538	1.1
409.31281	3.1
410.31415	0.4
423.29050	1.6
425.30740	0.7
437.30679	9.9
438.30997	1.9
453.30219	0.5
455.31686	1.8
456.31894	0.7
499.30652	100.0
500.30981	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	499.3064
Annotation	Poricoic acid E
Peak:m/z	Relative Intensity
57.03447	1.3
59.01377	0.4
60.99308	2.1
61.98804	0.2
67.61391	0.2
70.86473	0.4
71.05014	0.4
73.75250	0.1
83.05032	0.6
83.14078	0.1
174.75362	0.2
214.74155	0.2
219.14070	0.2
363.26849	0.6
365.28845	0.2
375.30606	0.6
377.28708	0.2
391.30188	0.8
393.31644	7.1
394.31818	1.2
395.29422	0.8
396.30066	0.2
407.29593	0.8
409.31387	0.9
410.31375	0.2
425.30582	0.4
437.30637	8.5
438.30942	1.9
439.28543	2.3
440.28842	0.4
453.30042	0.5
455.32150	1.1
456.31448	0.2
463.28632	1.0
481.29538	0.7
499.30643	100.0
500.30960	18.9
502.76828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
59.01377	0.3
61.88017	0.2
61.98806	0.3
64.89547	0.1
69.50699	1.6
83.05042	0.5
98.20740	0.3
137.09705	0.2
159.11833	0.2
283.91595	0.2
341.28564	0.2
377.28647	0.4
391.25748	0.3
391.30566	0.8
392.26141	0.2
393.31622	2.4
393.36130	0.3
409.31216	0.3
411.32587	0.2
419.29541	0.9
420.29953	0.3
425.30600	0.2
437.30655	0.7
453.30136	2.1
454.30435	0.6
455.31696	15.2
456.31998	2.8
499.30646	100.0
500.30991	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3065
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
50.57929	0.2
55.88383	0.2
57.03445	0.7
59.01374	0.8
60.99308	1.1
61.98816	0.4
71.01376	0.3
71.29002	0.6
83.05025	0.5
88.61726	0.2
94.71162	0.2
119.80836	0.2
128.30896	0.2
165.33829	0.2
263.20245	0.3
363.26898	0.2
375.26355	0.2
375.30499	0.4
391.30142	0.5
393.31689	5.6
394.31946	0.8
407.29559	0.6
409.31131	1.1
411.32690	0.4
412.33292	0.2
437.30624	6.8
438.30896	1.2
439.28485	0.5
453.29916	1.3
455.31647	4.9
456.32050	1.0
499.30646	100.0
500.30960	20.8
500.41675	0.3
517.31787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01728	1.6
60.99322	3.4
61.83986	0.6
61.98837	2.1
71.01392	6.2
71.05032	1.6
71.72311	1.3
73.02956	2.0
83.05049	0.6
85.02961	2.4
89.02464	2.0
95.01376	1.3
101.02444	3.5
101.17480	0.5
113.02456	5.5
119.03507	1.1
123.08161	0.8
141.84177	0.6
143.03619	0.6
161.04639	2.6
243.17429	0.9
258.88330	0.7
261.18460	1.3
273.22260	1.5
277.21725	90.6
278.22083	11.5
278.24991	0.4
291.23315	7.3
292.23581	1.4
319.22855	3.0
320.22989	0.9
355.26062	0.9
372.96912	0.7
375.26627	1.7
377.28598	3.9
393.27963	1.7
405.27991	1.6
423.28836	1.9
425.30554	1.2
427.32205	0.8
435.28955	2.5
437.30624	3.8
451.27859	0.6
455.31705	4.4
456.32220	0.8
481.29724	1.4
499.30533	77.6
500.30884	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	499.3067
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
57.03451	0.6
58.28961	0.3
59.01384	8.3
60.99309	1.0
61.98832	1.4
71.05032	2.7
73.02957	0.4
77.59469	0.3
83.05035	0.4
85.02969	0.4
93.40824	0.3
99.04550	0.4
100.67638	0.3
101.02485	0.5
101.44728	0.3
109.06615	0.7
113.02460	0.5
123.08180	3.7
135.08139	0.4
161.09698	1.1
214.06522	0.3
227.14400	0.4
243.17537	12.7
244.17924	1.3
259.16956	0.9
259.20663	0.6
261.18588	11.0
262.18869	1.1
262.21719	0.4
271.20532	1.7
277.21735	8.5
278.21906	0.7
285.18585	1.3
305.05618	0.3
319.22766	0.6
326.87643	0.4
353.80478	0.4
355.26340	0.9
379.30289	1.5
405.27960	10.6
406.28271	1.3
421.27536	0.4
423.29068	8.3
424.29236	1.3
425.30621	1.3
427.32184	1.6
428.33057	0.4
437.30435	0.7
455.31683	5.6
456.32068	1.0
467.28186	2.7
468.28241	0.8
471.31403	0.7
481.29767	1.1
499.30618	100.0
500.30942	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99389	0.3
57.16677	0.3
59.01383	100.0
60.01729	0.8
61.98835	1.2
71.01411	0.5
71.18784	1.0
77.60569	0.3
78.95909	5.4
85.03001	0.6
85.11182	0.4
96.96963	0.4
110.50244	0.3
116.60836	0.3
131.03534	2.1
152.99608	1.9
171.00696	0.6
183.17741	0.3
184.83824	0.3
189.12973	0.4
241.01239	0.8
245.04300	4.8
269.21213	0.5
317.18909	0.9
437.29349	1.4
453.30072	2.0
459.31421	0.5
471.68518	0.3
497.25168	2.3
497.31549	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	498.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.1
59.01389	0.2
61.98833	100.0
62.98529	0.2
64.13477	0.1
70.58380	0.2
70.58759	0.2
71.01398	0.2
81.03467	0.5
83.01415	0.2
85.02957	0.2
93.03484	0.4
119.05054	0.6
123.04539	1.8
125.02482	1.2
135.04485	0.1
137.02489	0.1
143.04637	0.1
147.04579	0.1
149.02493	0.2
151.00432	0.2
161.02457	0.1
165.05586	0.4
167.03525	5.5
168.03876	0.3
175.03963	0.1
179.03491	0.7
189.05711	0.1
273.07675	8.2
274.08026	0.9
318.02618	0.1
416.07562	0.1
435.13004	2.0
436.13327	0.2
499.17313	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	499.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03113	0.5
55.01873	1.6
56.63646	0.7
57.03437	1.4
58.00587	0.5
59.01088	1.2
59.01380	19.7
61.98840	4.0
69.03467	0.8
71.01388	32.9
71.05012	1.3
71.70832	0.8
72.01716	0.9
72.99306	1.4
73.02952	10.2
75.00891	1.1
83.01380	3.4
85.02966	15.5
87.00905	1.5
89.02455	8.1
95.01399	3.3
95.05055	6.0
96.96024	1.3
99.00906	4.4
101.02459	20.1
111.00925	0.7
111.04542	0.6
113.02467	15.3
115.00397	1.0
115.03275	1.1
115.04036	16.6
116.04350	0.7
118.96651	1.3
119.03514	3.2
120.73674	0.7
125.02506	0.7
129.01913	0.9
132.98218	0.6
139.04050	6.2
143.03534	1.6
147.06653	1.5
149.06097	1.4
151.04022	0.9
154.99962	0.5
157.05087	0.6
158.08238	0.9
159.03044	2.5
160.97636	0.6
161.02483	1.1
161.04585	12.1
175.04097	0.7
177.01967	0.5
179.05626	3.0
203.03539	0.7
217.00131	1.1
219.03053	1.0
233.10358	5.8
265.09137	0.7
277.09290	100.0
278.09637	7.3
301.09283	1.4
302.96063	0.5
307.93045	0.6
319.04611	0.7
319.10391	1.0
331.19562	0.5
337.08145	1.2
341.10916	2.2
376.42999	0.5
439.07935	0.7
499.10541	0.8
499.34317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03451	83.8
58.03788	1.4
59.01382	15.7
61.98834	26.8
67.01902	1.0
69.03455	0.9
70.90298	0.9
70.90667	0.9
71.01388	14.0
72.99314	2.5
73.02962	2.1
75.00885	8.0
80.05074	0.5
81.03470	1.3
83.01393	2.1
83.05048	0.5
85.02965	14.7
87.00892	3.6
89.02444	3.6
91.04002	0.6
93.03465	1.0
95.01394	2.4
95.05048	0.5
97.02939	0.8
97.06617	0.8
99.00906	4.5
99.04536	43.9
100.04884	1.5
101.02460	14.2
103.00405	1.7
107.05030	0.7
109.02954	0.7
111.00890	4.3
111.02036	1.3
112.87214	0.4
113.02466	15.8
113.17757	0.4
115.00412	0.7
117.01952	1.2
119.05034	1.0
121.03001	0.9
124.01672	0.9
124.02785	0.8
125.02464	15.9
129.01961	2.8
133.02998	0.5
133.05354	7.8
134.03827	3.7
134.06146	15.1
135.04550	8.0
135.06432	0.5
137.02492	0.5
139.08806	0.9
140.07234	0.6
143.03525	0.7
148.04033	0.4
149.99580	0.8
151.00394	0.7
153.01842	0.5
153.06740	1.6
153.10332	0.4
157.01369	0.5
157.13477	1.5
160.04094	2.2
161.02451	0.6
161.04575	1.9
161.13359	3.8
163.04028	75.0
164.04362	4.3
164.07155	1.0
165.05574	1.0
167.03523	0.5
168.00641	1.7
169.01520	0.4
174.01643	0.6
175.02481	1.4
178.02867	1.5
178.06375	67.6
179.06723	4.2
179.15620	0.6
181.09843	1.3
187.11243	1.0
191.05650	1.2
193.08711	100.0
194.09035	9.0
205.03368	0.6
205.07260	0.6
205.12373	3.0
206.11858	0.6
207.05089	0.8
216.05244	0.7
223.14510	1.7
245.12929	0.9
247.14526	25.2
248.14848	1.6
249.06152	9.0
250.06454	0.5
267.07202	39.2
268.07581	1.6
273.12515	1.2
275.09134	1.0
293.24698	0.8
307.11838	1.8
320.27087	0.5
337.23929	0.8
341.18719	1.2
342.14615	6.3
343.15079	0.8
343.21082	0.6
358.21320	5.5
359.21729	0.6
380.47430	0.5
385.20099	12.4
386.20569	2.8
455.19223	12.9
456.19739	2.0
467.15778	1.0
499.18045	22.6
499.32977	23.3
500.18494	3.8
500.33365	4.7
515.43097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1664
Annotation	Globulusin B
Peak:m/z	Relative Intensity
54.22289	0.3
57.03450	1.0
58.00588	0.3
59.01382	7.8
61.98834	8.3
63.29509	0.3
69.03462	3.2
71.01388	5.9
71.05116	0.3
71.41048	0.3
71.71376	0.5
72.99315	1.4
73.02962	1.1
75.03326	0.3
80.91687	0.3
81.03473	0.9
83.01421	1.7
85.02974	2.4
87.00893	0.9
88.98838	0.9
89.02459	5.1
91.54278	0.3
93.03486	0.8
95.01408	1.8
97.02975	2.4
97.16529	0.3
99.00906	0.5
99.04504	0.6
101.02464	3.5
107.01416	1.3
108.02197	1.4
109.03031	0.7
111.00933	0.9
113.02466	2.7
119.03532	1.9
119.05023	0.5
121.03011	0.8
122.03735	0.4
123.00919	6.2
123.04541	1.2
124.01691	19.1
125.02471	51.6
126.02817	2.1
128.03490	0.3
131.03523	0.4
132.02246	0.5
133.02985	1.1
133.05374	0.5
134.03755	0.4
135.04549	2.2
137.02472	2.7
139.04048	0.5
139.11313	0.4
143.03558	0.6
143.04623	0.6
143.10789	2.3
147.04552	1.4
149.02469	0.7
149.04575	0.6
149.99611	28.3
151.00410	2.7
151.04019	0.4
151.05176	0.4
152.01157	1.6
153.01617	0.7
153.05525	0.3
154.01697	0.4
160.01689	0.9
161.02461	2.2
161.04599	1.4
163.04135	0.4
165.05591	2.5
167.03520	4.2
167.10750	0.4
168.00665	57.3
169.01369	5.5
169.03944	0.6
170.01970	0.4
177.01898	0.4
177.05582	0.4
179.03505	1.5
179.05663	0.9
185.11760	0.4
191.03500	0.9
191.07159	1.3
193.01529	0.3
205.05199	0.3
209.11900	0.5
220.03719	0.4
225.11115	0.4
247.14336	0.4
261.07730	1.5
267.07263	0.5
270.70428	0.4
275.09106	0.4
293.08829	0.6
294.08908	0.4
313.05789	1.5
340.07941	1.5
377.12454	0.3
497.16605	100.0
498.16928	16.3
498.24420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24539	0.3
59.01379	4.9
61.19000	0.4
61.98833	26.9
71.01380	1.6
71.71466	0.6
73.02926	0.5
83.01390	0.3
84.04555	0.4
85.02975	0.6
87.00837	0.3
88.98803	0.4
89.02441	0.5
95.01392	0.3
99.00897	0.3
99.04546	0.4
101.02473	1.3
108.04574	0.4
111.00922	0.6
112.04032	0.4
113.02474	0.7
116.91096	0.3
122.06130	1.3
123.06942	0.5
124.07697	1.1
132.02159	0.4
133.02977	0.8
144.04575	5.5
145.05006	0.4
146.06105	1.1
148.07747	0.4
150.05554	0.4
160.01958	0.4
160.04128	1.8
161.02425	1.3
161.04837	1.9
162.05667	2.7
165.05667	0.5
167.03534	1.1
168.98679	0.3
172.04085	3.7
173.04784	1.3
174.05615	1.5
175.06360	0.5
176.03574	0.6
176.07114	0.5
177.02049	0.4
188.03532	1.3
189.04172	0.4
190.05057	0.9
203.05870	3.4
204.06648	9.4
205.07065	1.0
211.08772	0.6
212.05901	5.9
212.09579	0.6
213.06505	0.3
213.10333	0.5
223.08748	0.8
224.07341	0.4
225.06673	2.4
225.10295	0.9
227.11842	1.1
228.12621	0.4
236.09404	0.7
237.06572	0.4
237.10345	6.3
238.08676	1.0
238.10876	0.6
239.08273	4.3
240.09010	1.8
241.09848	1.3
251.04630	0.4
251.08163	0.7
251.11847	3.6
252.10120	1.2
252.12592	5.4
253.06177	5.9
253.09827	5.0
253.12767	0.4
253.13226	0.4
254.06412	0.4
254.10376	2.0
255.11349	2.2
263.08322	0.4
265.06216	1.0
266.07010	1.7
266.10849	0.5
267.07733	8.2
267.11328	2.2
268.08447	4.8
268.12085	3.8
269.09012	0.5
269.12875	3.3
277.09808	0.7
278.10712	0.7
279.07721	1.6
279.11105	0.8
280.08557	2.5
281.09308	14.6
282.09659	1.4
284.11667	1.4
285.08829	2.1
285.12042	0.6
286.09158	0.6
290.98676	0.4
294.10135	0.7
295.10873	7.9
296.11649	19.7
297.12045	3.3
299.10391	3.0
300.08118	0.4
300.11053	1.9
310.09619	0.4
311.10410	0.8
312.11029	0.7
313.11975	4.9
314.12320	0.7
322.09586	0.9
327.13501	3.5
328.10620	5.5
328.14279	2.2
329.10928	0.5
329.23370	0.4
340.11166	2.0
346.15857	0.5
348.14038	0.4
352.20712	0.5
360.13181	1.6
372.13455	1.6
376.20309	2.0
378.18234	0.5
418.17773	1.1
420.19296	19.5
421.19595	3.3
436.18982	0.4
446.17355	1.2
452.21851	4.8
453.22031	0.8
464.18286	18.0
465.18680	3.0
465.75916	0.5
478.19894	2.5
479.20142	0.8
496.20868	100.0
497.21210	20.7
497.27356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82590	2.2
59.01383	23.2
61.98829	38.1
69.54398	24.4
70.00157	2.5
71.01390	9.9
72.99315	4.1
78.60381	2.4
79.41354	2.3
89.02477	3.0
101.02455	5.6
101.52036	2.4
102.15086	2.4
113.02454	2.7
116.05099	6.3
119.05047	2.6
125.02497	3.6
133.02963	3.9
142.05565	5.2
142.06642	89.7
143.06973	6.2
158.06136	18.3
161.02467	12.7
165.05504	3.8
185.34096	2.6
186.05620	44.8
187.05933	2.9
196.04134	2.3
204.06668	100.0
205.07002	6.7
228.06839	4.1
246.07712	33.4
247.07919	3.2
333.19470	3.0
495.19635	5.7
496.19107	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	496.209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06995	0.3
59.01088	0.6
59.01378	10.5
59.74525	0.4
61.38776	0.3
61.98832	39.2
64.54727	0.3
69.12444	0.4
69.57980	3.1
69.61440	0.4
71.01386	5.1
72.99308	0.5
73.02956	0.9
80.76736	0.3
80.91638	0.4
83.01421	0.4
84.04556	0.5
85.02960	1.3
87.00869	0.5
88.98818	0.6
89.02464	4.8
92.12709	0.3
95.01402	0.6
95.03806	0.5
97.96593	0.4
101.02463	2.5
106.79684	0.4
108.04570	0.6
108.28918	0.4
113.02444	2.3
117.03526	0.4
119.03513	1.6
119.59869	0.3
122.06137	1.3
123.02269	0.3
123.04579	0.6
124.07710	1.5
125.02493	0.4
133.02995	1.2
134.03670	0.4
135.04597	0.8
137.02440	0.5
141.11522	0.4
144.04587	4.7
145.02975	0.8
146.06102	0.9
150.05644	0.9
151.31543	0.3
160.01642	0.4
160.04085	1.0
161.02426	1.6
161.04788	2.7
162.05595	1.9
167.03510	1.6
172.04088	2.9
173.04849	1.7
174.05603	1.2
175.02730	0.4
175.06337	0.4
176.03539	0.7
177.01979	0.6
178.02776	0.4
179.03505	1.0
186.05644	0.4
188.03519	1.4
189.04332	0.4
190.05087	0.5
191.03497	0.8
203.05814	1.8
204.06673	7.2
205.03674	0.4
211.05138	0.7
211.08812	0.9
212.05907	5.2
213.06511	0.5
220.03777	0.4
223.08742	0.6
225.06702	1.6
225.10196	0.4
226.07489	0.7
227.11975	1.1
228.12706	0.5
236.09468	0.5
237.10339	5.4
238.08719	0.5
238.10883	0.8
239.08240	5.5
240.08937	2.0
241.09688	1.3
250.04803	0.6
251.04597	1.2
251.08221	0.6
251.11899	2.7
252.12630	4.9
253.06175	6.1
253.09840	5.4
254.06499	0.4
254.10506	1.4
255.11467	1.9
265.06122	1.0
266.07001	2.3
266.09686	0.3
267.07730	9.6
267.11346	2.6
268.08438	5.4
268.12134	3.8
269.12866	2.7
275.09277	0.5
277.09927	0.8
278.10666	0.6
279.07816	1.4
279.11426	1.2
280.08582	2.8
281.09299	15.5
282.09686	1.4
284.11548	0.9
285.08826	2.7
285.11887	0.5
294.10016	0.7
295.10895	7.5
296.11646	17.9
297.12189	3.2
298.09637	0.7
298.12952	0.5
299.10400	3.3
300.07779	0.6
300.11069	1.5
301.11356	0.4
311.10330	0.9
313.11871	3.9
314.12360	0.4
317.10269	0.5
322.09601	1.3
326.08926	0.7
327.13516	1.8
328.10629	7.2
328.14343	1.5
329.10852	0.6
332.10452	0.5
332.14359	0.5
340.11072	1.7
352.20520	0.4
360.13309	1.4
372.13330	2.0
373.13651	0.4
374.23691	0.4
376.20139	2.0
418.17752	1.6
420.19293	15.4
421.19727	2.8
446.17111	1.6
452.22110	2.8
464.18253	18.5
465.18530	2.8
465.76120	0.6
466.26196	0.5
478.19806	2.2
496.20898	100.0
497.21225	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	493.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03441	3.1
58.00594	2.1
59.01379	100.0
60.01705	1.8
61.98832	10.0
62.20212	0.7
71.01385	55.3
71.71278	1.0
72.99310	4.2
73.02950	3.6
75.00862	3.7
81.82668	0.7
83.01411	3.3
85.02959	9.8
87.00877	5.6
89.02454	70.8
90.02759	0.9
91.72098	0.8
95.01392	2.9
99.00909	3.0
99.04550	0.8
101.02451	29.6
111.00922	1.3
113.02460	23.9
114.02726	0.8
119.03518	28.0
121.02985	2.7
123.04578	0.8
125.02463	13.2
125.90247	0.9
129.01816	0.8
131.03531	4.2
133.02974	2.4
135.04524	2.7
137.02492	1.7
142.06668	4.4
142.07556	1.0
143.03520	9.1
143.07156	2.4
149.02475	1.9
149.04561	3.1
150.03204	1.1
150.73862	0.7
151.00362	0.9
155.10742	1.2
160.01682	0.9
161.02478	9.6
161.04562	9.7
162.98300	0.7
163.04085	1.1
164.04822	1.1
164.07166	1.2
165.04269	0.7
165.05560	1.1
167.03539	2.1
175.03937	1.0
179.05626	41.5
180.05991	1.0
181.12404	2.0
183.73180	0.9
186.05621	2.1
187.07689	0.8
190.02715	1.6
195.45595	0.7
199.13443	4.2
204.06638	2.8
205.05042	1.6
223.06134	2.1
246.07729	1.1
249.06084	2.0
267.07153	1.2
281.06808	1.1
373.09378	1.3
410.04343	0.9
414.16498	1.2
433.24579	11.0
434.24768	1.2
449.20398	1.0
477.15607	1.5
493.18692	17.2
494.19086	1.1
512.11646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61081	0.2
59.01382	4.3
61.98835	100.0
62.40828	0.2
62.98536	0.2
62.99280	0.2
68.11119	0.1
70.86856	0.4
70.87253	0.3
71.01390	2.3
72.99319	0.3
73.02967	0.7
75.00874	0.5
83.01401	0.4
85.02965	0.6
86.40977	0.2
87.00893	0.3
88.98843	0.3
89.02446	1.3
99.00916	0.4
99.01913	0.2
101.02462	1.5
103.00384	0.2
111.00890	0.2
113.02482	0.8
113.14539	0.2
119.03493	0.4
123.04593	0.2
125.02491	0.5
131.03615	0.2
133.03008	0.4
135.03036	0.5
135.04550	0.3
145.03075	0.2
149.02504	0.2
153.05614	0.2
161.02443	1.0
161.04739	0.3
162.02832	0.2
165.05618	0.2
174.07057	0.2
179.03542	0.2
181.12383	1.7
182.12851	0.2
219.07181	0.2
229.08612	0.4
251.16544	0.8
257.08167	0.3
412.71173	0.3
431.22903	9.7
432.23175	1.5
444.42691	0.2
453.24051	0.2
454.80893	0.2
458.04440	0.2
494.30533	1.7
495.18295	1.0
495.31009	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	493.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12509	1.5
51.64996	1.3
57.03448	1.8
58.00585	3.6
59.01381	82.2
61.98833	7.7
62.60852	1.4
69.77132	9.2
71.01389	70.7
72.01710	2.0
72.97517	2.0
72.99308	4.6
73.02953	100.0
74.03300	1.7
75.00864	2.0
83.01395	5.1
85.02953	10.3
87.00875	13.7
89.02455	99.0
93.57158	1.5
95.01382	3.6
99.00881	2.8
99.92622	3.6
101.02458	38.6
111.00911	1.8
113.02465	29.7
114.02846	1.6
116.03577	1.8
116.92883	53.4
116.93705	3.6
117.01957	43.5
117.05580	3.0
117.92929	2.4
119.03525	36.7
119.04927	2.1
121.03011	2.1
125.02470	2.5
131.03479	4.9
133.02983	4.2
135.04543	4.8
137.02446	10.2
143.03529	11.7
145.02980	14.4
146.03746	2.9
147.04515	5.0
149.04573	2.8
150.03246	8.8
151.03998	5.7
153.05629	1.9
161.02464	29.6
161.04510	10.8
162.03256	16.9
165.05592	16.5
169.05057	1.7
177.01944	1.7
177.05576	11.0
179.03462	3.3
179.03758	2.7
179.05618	53.1
180.04404	3.4
180.05885	1.7
193.32994	1.4
195.06660	9.3
202.87231	1.6
263.72534	1.7
274.32907	1.5
277.54550	1.8
327.10788	2.0
331.10168	5.3
357.11890	11.9
367.32721	1.6
381.38522	1.7
417.49487	1.8
475.14709	12.9
493.16141	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	491.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90857	0.2
53.80324	0.2
59.01382	100.0
60.01704	1.5
61.98834	8.7
69.74130	0.8
69.74550	1.1
71.01389	1.7
73.02953	0.6
80.17413	0.2
80.43940	0.2
83.01402	0.3
85.02969	0.5
89.02468	0.9
95.01452	0.3
99.00926	0.3
101.02464	2.2
113.02479	0.7
122.03703	0.3
132.02211	0.3
133.03004	1.9
134.03786	0.6
135.04535	0.8
140.07552	0.2
149.02496	0.6
150.03273	1.0
160.01700	1.1
161.02478	8.6
161.04572	0.5
165.05609	1.3
175.03992	1.3
176.04645	0.4
177.04713	0.4
179.03577	1.0
191.07259	0.5
193.05144	0.9
194.05420	0.3
195.06683	0.5
205.05183	0.4
235.06227	0.8
246.32648	0.2
269.14206	0.3
371.20892	0.4
389.21930	0.4
429.14056	10.4
431.22995	2.1
432.23538	0.4
457.56262	0.3
491.16959	2.4
492.18536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
56.67026	0.2
57.03454	1.6
58.00600	0.7
59.01382	46.6
60.01714	0.6
61.98825	0.9
62.16069	0.2
68.99838	0.2
69.03463	0.4
71.01386	14.2
72.01735	0.2
72.99329	1.0
73.02952	6.9
75.04322	0.2
80.52409	0.2
83.01398	4.8
85.02958	9.7
86.00110	1.4
86.03311	0.2
87.00885	1.1
89.02451	1.6
89.34497	0.2
95.01386	1.3
97.02969	0.3
98.20650	0.6
99.00892	2.0
100.16200	0.2
100.22305	0.1
101.02458	14.6
101.64063	0.2
102.02795	0.4
104.70614	0.2
111.00890	0.8
112.01706	0.2
113.02464	5.4
114.02789	0.3
119.03529	0.4
125.02479	0.5
129.01973	0.4
131.32539	0.2
141.02002	0.2
143.03532	0.2
159.03012	0.6
161.04555	1.1
223.20729	0.7
239.20218	0.6
241.21770	1.4
267.23386	0.2
269.21289	0.9
287.22284	4.0
288.22513	0.3
329.23502	0.2
403.27063	1.0
413.25320	0.3
431.26520	21.5
432.26794	2.7
449.27545	53.6
450.27914	7.6
491.28589	100.0
492.28931	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89164	0.2
54.49889	0.2
56.10091	0.2
57.03425	0.4
59.01381	100.0
60.01715	6.4
60.02010	0.3
61.01817	0.4
61.98833	34.9
71.01392	3.0
71.05045	0.3
71.71799	0.4
72.99300	0.4
73.02950	1.0
75.00888	0.6
83.01408	0.7
85.02953	1.6
87.00920	0.4
88.98825	0.5
89.02466	1.5
95.01445	0.3
99.00903	0.5
101.02463	3.4
103.00410	0.3
105.05564	0.4
111.00886	0.4
113.02442	1.3
115.00368	0.3
117.03497	0.5
119.03512	0.7
119.05053	0.3
125.02448	0.5
127.43706	0.3
129.55942	0.2
132.02254	0.5
133.02980	9.4
134.03746	0.7
135.04559	3.6
135.55682	0.2
137.02414	0.5
138.01999	0.4
139.00427	0.3
147.06628	1.0
149.02473	0.7
150.03235	0.7
151.04004	0.4
157.19150	0.2
160.01736	0.5
161.02466	44.6
162.02803	2.4
165.05591	1.1
174.05606	0.5
175.04001	0.6
175.82236	0.3
176.04419	0.4
177.01970	0.3
177.05598	0.3
179.03511	3.7
179.05797	0.3
191.03438	0.3
191.07098	0.4
192.07500	0.3
193.05095	0.5
194.05411	0.4
195.06754	0.6
221.04558	0.6
235.06036	0.6
236.06480	0.4
245.49329	0.3
251.05617	0.5
271.02444	0.2
281.06628	0.5
296.08563	0.4
341.08820	0.9
403.15134	0.6
429.14035	38.2
430.14325	5.4
431.22925	1.0
432.23111	1.4
457.13242	0.5
474.14026	1.1
492.17465	1.8
493.19318	0.9
500.89722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1561
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
57.03448	1.4
59.01382	47.1
61.98835	46.4
65.00346	0.8
68.73932	0.6
71.01392	15.2
71.06600	0.5
71.71623	0.7
72.99319	1.9
73.02941	2.9
74.85928	0.5
75.00884	2.6
79.02297	0.5
81.03455	0.8
83.01418	2.7
85.02965	5.4
87.00899	1.7
88.98813	0.8
89.02458	10.3
93.03493	1.4
95.01417	1.4
95.05046	1.4
97.02964	0.7
99.00889	1.5
101.02464	11.6
102.02805	0.6
107.01405	1.6
108.02201	0.8
109.02975	1.9
111.00886	1.4
113.02465	6.6
115.00386	0.8
117.01923	0.7
117.03453	0.8
119.03530	5.2
119.05025	0.8
121.02982	2.6
122.03762	1.4
123.04548	100.0
124.04878	3.9
125.02479	2.4
130.08803	0.8
131.03542	1.4
132.02199	8.0
133.02986	2.8
134.03773	17.4
135.04568	7.0
137.02419	1.2
143.03525	2.0
145.03004	0.9
147.04526	1.0
149.04990	0.6
149.06087	3.9
150.03253	0.7
151.00403	6.3
151.03987	1.1
153.01988	1.7
153.05600	98.0
154.05991	3.9
160.01685	45.8
161.02437	4.7
161.04562	4.4
163.04094	0.9
165.05608	1.3
167.03474	1.4
167.10797	37.9
168.11111	2.0
171.10378	0.8
175.04031	59.1
176.04391	3.8
177.05542	0.8
178.02753	1.4
179.03569	1.1
179.05635	6.2
183.14011	0.5
191.07280	1.0
193.05080	17.4
194.05594	1.2
195.06685	1.3
211.13438	1.2
217.05026	1.1
221.06732	4.7
227.07056	0.6
227.12935	0.8
235.06100	1.7
253.05124	0.9
255.06621	0.9
263.07755	3.1
267.06543	2.7
268.06897	0.7
269.08072	3.8
269.17670	2.0
281.08118	1.3
283.09827	2.5
284.10400	0.9
287.05670	4.6
289.42517	0.6
295.09866	1.4
296.10431	0.8
301.03198	1.0
301.11432	0.7
302.03275	1.3
311.09296	2.6
315.10953	1.6
323.09869	2.0
328.09711	1.4
337.09317	87.7
338.09619	9.9
340.09500	3.0
343.07745	1.0
343.11853	12.6
344.12231	1.4
355.11914	8.0
356.12244	1.6
371.20923	3.0
373.12991	1.5
373.18484	0.7
431.09796	1.3
431.22882	5.4
432.22952	1.2
491.15857	9.9
491.21918	1.6
492.15817	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	489.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
60.99307	0.4
61.98833	1.3
62.95766	0.3
69.45298	3.0
71.01405	0.4
80.13197	0.3
98.20695	0.4
153.04022	0.3
193.50429	0.3
282.77200	0.3
371.25946	0.5
381.37671	0.3
383.29688	1.1
391.98892	0.3
409.34085	0.7
425.34143	1.1
429.30127	1.3
471.33966	1.3
489.35837	100.0
490.36230	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	489.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03490	0.3
57.03441	0.8
58.20003	0.4
59.01380	1.9
61.98846	1.5
64.67445	0.3
70.11998	0.3
70.56763	0.3
71.70898	0.6
73.02977	0.5
97.06564	0.3
198.76495	0.3
309.21072	0.3
427.32043	0.6
429.33844	0.7
471.33649	0.4
487.35251	0.3
489.35941	100.0
490.36343	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	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47207	0.6
57.03436	1.6
59.01378	12.0
61.98833	5.7
64.10509	0.5
64.64942	0.5
67.01897	0.5
68.99810	0.6
70.92715	1.6
71.01390	5.1
71.05035	0.7
72.99316	0.7
73.02943	1.8
75.00887	0.8
77.03631	0.6
81.03464	4.8
83.01392	7.8
85.02988	3.1
87.00879	0.8
88.98807	3.6
89.02441	2.6
93.03465	2.0
95.01405	1.8
95.05043	3.9
96.96030	1.7
97.02966	2.5
99.00897	0.9
99.04532	3.9
101.02450	2.4
103.04006	1.5
107.05057	1.2
108.02155	0.8
109.02956	2.4
109.06645	0.6
111.00885	0.9
111.04563	1.1
113.02454	2.6
116.92886	0.5
119.03519	0.9
119.05056	1.3
121.02957	2.7
121.06634	0.9
122.03770	0.6
123.00912	0.9
123.04543	13.1
124.04862	0.8
125.02468	9.9
133.02983	0.7
133.05075	1.9
135.04541	5.7
137.02525	2.6
137.06099	6.8
139.04033	5.8
141.05615	1.0
145.02925	0.7
146.08246	1.6
147.04556	1.3
149.02490	2.9
149.04517	0.7
149.06071	1.7
150.03203	0.9
151.00414	0.8
151.04079	4.0
151.07719	1.0
153.05583	1.2
155.03555	0.8
161.02452	2.1
161.04581	1.4
161.06096	1.6
163.03995	2.9
164.04814	1.3
165.01976	2.5
165.05609	4.5
166.02675	1.1
167.03517	24.1
168.03995	1.0
175.04070	1.2
177.01967	2.0
177.05556	1.9
179.03513	5.5
179.05777	0.8
179.07167	1.4
180.04207	1.2
181.05115	3.1
183.06558	1.3
189.05566	1.8
191.03535	1.5
192.04094	0.8
193.01451	0.8
193.05099	4.0
194.05769	1.1
195.06567	1.2
197.04543	3.5
205.01544	0.5
205.05055	0.6
207.02969	0.8
207.06610	1.2
209.04568	38.7
210.04927	2.1
219.03040	1.0
220.03764	0.6
221.04552	9.8
222.05070	1.2
223.06148	1.3
233.04527	1.8
235.02402	0.8
235.06100	2.7
239.05603	12.9
240.05911	0.8
248.03345	0.9
249.04063	0.8
251.05602	100.0
252.05972	7.2
263.05551	5.0
264.18863	0.5
265.07037	1.6
269.06686	0.9
281.06668	67.1
282.06958	6.4
293.06699	4.2
311.07715	15.8
312.08023	1.2
323.07715	1.7
329.11142	0.9
341.08636	0.8
353.08948	5.2
365.08713	0.9
371.09937	19.3
372.10211	2.2
383.09891	3.5
401.10406	2.0
429.13834	1.3
431.23148	0.8
473.12863	1.0
473.55756	0.6
491.13831	13.0
492.14221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3585
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
57.03448	1.5
59.01381	2.1
61.98841	2.9
71.01386	1.0
71.71069	0.5
83.05050	0.4
83.87321	0.3
88.49102	0.3
89.02465	1.1
92.72160	0.3
101.02445	0.6
107.74770	0.3
108.53677	0.4
113.02451	0.4
125.06071	0.3
179.05388	0.3
215.69579	0.3
291.19891	0.3
309.20764	1.4
338.00842	0.3
367.26678	0.3
385.31403	0.5
399.29034	0.6
427.32712	0.5
427.47275	0.3
429.34250	0.8
443.28107	0.6
445.33243	1.9
446.33450	0.4
471.27850	1.1
489.35965	100.0
490.36319	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46536	0.3
55.01049	0.2
57.03446	0.6
59.01390	1.7
60.99295	0.8
61.98845	1.5
61.99096	0.3
71.01385	0.4
71.05025	1.1
71.70750	0.4
74.57218	0.3
76.07024	0.3
83.05051	0.3
89.02461	0.6
102.50770	0.3
203.34917	0.3
309.20844	0.4
327.23328	0.5
374.54803	0.3
381.31384	0.4
383.32257	1.1
389.23203	1.0
393.27988	0.8
393.32281	0.4
423.32742	0.4
425.30115	0.5
426.30579	0.7
427.31723	8.5
428.32220	1.0
439.31635	0.3
441.33752	0.8
445.32944	1.0
458.54617	0.3
469.33362	0.5
471.30603	0.7
487.34604	1.6
488.34552	0.5
489.30505	31.9
489.35730	100.0
490.37033	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93511	0.4
57.03453	5.3
59.01371	1.7
61.98838	2.5
67.87569	0.4
69.80370	0.5
71.01382	0.7
71.05013	0.5
73.02947	1.8
78.55814	0.4
97.06573	0.6
98.19838	1.3
101.02489	0.6
135.08156	0.7
144.53860	0.5
149.82072	0.4
159.08043	0.6
182.22443	0.5
184.14725	0.5
203.14410	1.6
228.27493	0.6
257.62360	0.4
271.20624	0.8
287.23880	2.3
341.24811	2.1
353.28653	0.7
355.29990	1.0
381.27884	3.1
385.23987	4.3
386.24283	0.9
397.27353	3.5
399.29059	30.1
400.29468	5.9
427.27966	0.7
435.96875	0.5
443.28049	50.3
444.28348	9.8
445.29282	0.8
471.26608	2.5
489.28024	100.0
490.28348	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	489.2856
Annotation	Spongianolide E
Peak:m/z	Relative Intensity
51.22171	0.7
54.68164	0.7
57.03450	6.1
59.01382	5.5
60.99298	0.7
61.98825	3.9
71.01378	1.2
71.05013	3.0
73.02955	1.0
83.05041	1.9
98.20675	1.5
109.01216	0.7
109.06615	0.9
116.97773	0.7
117.79368	0.9
135.08180	1.0
203.14423	1.8
215.14363	0.8
255.23213	1.3
271.20599	1.1
287.23743	3.6
353.28403	1.3
355.30319	1.0
381.27872	3.1
397.27371	4.9
399.29074	43.5
400.29340	5.1
411.14886	1.0
425.34174	2.3
426.34247	1.0
427.32242	1.8
429.33813	3.6
443.28030	76.0
444.28311	14.6
445.32520	4.0
471.27194	3.3
471.31491	3.3
489.28729	98.4
489.35684	100.0
490.28961	21.6
490.36050	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	489.3223
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03457	1.4
58.00594	1.5
59.01381	2.3
61.98512	0.4
61.98835	5.9
65.63287	0.2
69.03444	0.3
69.38151	2.4
71.01389	1.4
71.04991	0.3
73.02956	13.5
85.02966	1.1
87.04537	0.2
89.02511	0.2
89.59351	0.2
95.05019	0.2
97.06566	0.2
98.19845	0.4
98.81498	0.2
99.00930	0.2
101.02489	0.4
101.98552	0.2
113.02432	0.3
126.82656	0.2
132.51642	0.2
145.12306	0.2
161.04591	0.3
167.03494	0.5
183.15567	0.2
266.87546	0.2
301.25485	0.3
339.26804	0.2
357.27820	0.3
369.28036	0.4
371.29395	0.3
373.31140	0.3
383.29727	0.4
407.29486	0.9
409.31476	0.3
413.30670	0.7
415.32690	1.3
417.34152	0.2
425.30615	0.4
427.32480	0.5
443.27792	0.5
445.28751	3.7
446.34329	0.3
447.26053	0.3
489.32639	100.0
490.33020	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96173	0.2
55.01879	2.0
57.03452	1.5
58.00606	0.7
59.01384	51.4
60.01717	0.5
61.98834	1.0
67.01905	0.2
68.99812	0.3
69.03473	0.4
70.46765	0.3
70.47177	0.5
71.01389	13.9
72.01740	0.3
72.99318	1.3
73.02953	6.7
75.00898	0.5
83.01396	4.8
83.01863	0.3
85.02966	9.0
86.00096	1.7
86.03324	0.2
86.06820	0.2
87.00883	1.4
89.02457	1.8
95.01406	1.7
97.02961	0.5
98.99547	0.2
99.00900	2.5
99.01507	0.2
101.02460	14.1
102.02806	0.3
111.00917	0.9
113.02467	5.9
114.02786	0.2
119.03529	0.4
125.02501	0.5
129.01962	0.3
133.18466	0.2
141.01987	0.3
143.03525	0.3
159.03087	0.5
161.04587	0.9
168.86368	0.2
181.16113	0.2
187.26509	0.1
221.19159	0.3
239.20244	0.3
246.94455	0.2
267.19659	1.4
285.20731	3.2
286.21124	0.5
327.21643	0.2
401.25446	1.1
429.24963	21.3
430.25272	3.5
447.25989	53.0
448.26364	7.7
448.32764	0.3
466.51038	0.2
471.26031	0.4
489.27051	100.0
490.27383	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45037	0.2
55.01881	2.0
56.39983	0.1
57.03447	1.5
58.00596	0.7
59.01384	42.9
60.01734	0.4
60.43431	0.1
61.98834	1.7
68.99809	0.3
69.03466	0.5
70.86674	0.3
70.87054	0.3
71.01389	15.0
71.05041	0.2
72.01748	0.3
72.10433	0.1
72.99314	1.2
73.02953	5.6
75.00895	0.3
83.01395	4.3
84.02207	0.2
85.02964	9.6
85.80953	0.1
86.00111	1.6
86.03339	0.2
87.00890	1.2
88.98832	0.2
89.02451	1.7
95.01402	1.2
97.02979	0.5
98.46828	0.2
99.00898	2.1
101.02459	14.8
102.02800	0.5
111.00899	1.1
112.01696	0.2
113.02466	5.8
113.03243	0.3
119.03533	0.5
121.02982	0.2
125.02493	0.5
129.01953	0.3
141.01976	0.2
143.03529	0.3
156.51181	0.2
157.66000	0.1
159.03041	0.6
161.02473	0.4
161.04553	0.8
181.15987	0.2
221.19122	0.3
239.20235	0.4
267.19601	1.2
285.16263	0.1
285.17490	0.3
285.20691	3.4
286.21088	0.4
327.21823	0.3
394.36917	0.2
401.25546	1.0
402.25925	0.2
429.24951	22.1
430.25345	2.8
445.28381	0.2
447.25992	53.3
448.26340	8.3
471.26193	0.3
489.27057	100.0
490.27386	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	489.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28575	0.4
55.01869	0.6
57.03434	0.8
58.00578	0.4
59.01084	0.9
59.01381	17.7
60.11610	0.4
61.98834	2.1
71.01385	10.0
72.99320	0.8
73.02955	2.1
75.00891	0.6
77.04012	0.4
81.11501	0.4
83.01398	1.4
85.02956	3.7
87.00880	1.2
89.02461	6.0
90.18243	0.5
91.01914	1.0
93.03466	1.0
95.01414	0.8
97.02973	0.5
99.00891	1.2
101.02454	7.4
103.00368	1.1
107.05056	0.5
109.42681	0.4
109.58100	0.4
111.00966	0.6
113.02478	3.8
116.92903	0.5
117.03573	0.5
119.01418	3.5
119.03515	1.5
119.05032	1.0
121.02991	4.3
121.05100	4.1
123.04571	0.6
125.02463	0.9
128.03560	0.7
129.01970	0.6
131.07141	1.2
132.02200	1.0
133.02960	0.8
134.03760	1.6
135.04515	2.0
137.02417	0.5
138.52031	0.5
147.00876	3.7
147.04568	1.7
149.02472	21.8
150.02946	1.3
151.04117	0.6
152.01154	1.2
160.01706	1.7
161.02426	1.0
161.04610	1.2
162.03287	0.6
163.04063	2.4
164.04820	21.2
165.01939	2.0
165.05289	1.5
167.03506	0.5
169.05014	0.5
173.08192	0.8
175.00386	29.2
175.04033	1.5
176.00813	1.7
177.01920	0.6
177.05516	0.5
179.05759	0.7
179.07109	3.1
189.01958	1.0
190.02740	85.8
191.03134	5.6
192.04146	0.7
193.01405	0.6
193.05067	1.3
194.02191	0.5
202.60320	0.5
205.05074	89.9
206.05435	6.9
207.02963	0.8
208.03758	1.9
209.04533	1.5
221.08203	0.9
223.06126	38.3
224.06474	2.7
235.06126	0.7
251.05588	0.7
265.07135	5.0
265.09402	0.5
266.07449	0.5
267.07104	0.7
267.15817	0.7
283.10327	0.5
295.08264	1.1
325.09402	0.6
367.10379	1.0
368.51031	0.5
474.14240	0.7
489.16147	100.0
490.16425	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23198	0.2
58.70721	0.2
59.01380	100.0
60.01709	0.8
61.98821	0.3
71.01367	1.5
73.02953	0.4
77.92556	0.2
83.01399	0.3
85.02971	0.7
88.98853	0.3
89.02468	1.2
98.20563	0.7
101.02483	1.1
113.02474	0.8
119.03487	0.3
131.07152	0.5
137.89281	0.2
151.04099	0.4
154.08760	0.6
158.19379	0.3
161.02461	0.6
161.04602	0.6
165.05742	0.4
165.09187	0.3
179.05693	0.3
189.52618	0.3
229.46022	0.4
340.54144	0.3
347.17914	0.3
387.20157	0.6
429.11829	0.5
429.21457	0.9
489.15475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01707	1.2
61.98835	0.3
66.47355	0.2
69.39991	2.8
70.01313	0.2
71.01389	1.8
73.02931	0.3
75.00873	0.2
85.02962	0.7
86.55681	0.3
87.00899	0.3
89.02483	0.6
93.19524	0.2
95.01445	0.3
99.00964	0.2
100.69448	0.3
101.02470	1.0
111.00887	0.2
113.02450	1.1
119.03503	0.2
137.09740	0.3
138.06920	0.8
153.09233	2.7
161.02533	0.3
161.04561	0.6
225.14980	5.1
225.17036	0.4
226.15381	0.5
312.15613	0.2
369.19211	7.2
370.19647	0.7
387.20407	1.4
412.09750	0.3
429.21338	8.6
430.21576	1.6
489.23816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03448	2.8
58.00599	0.6
59.01384	15.2
61.98836	2.0
67.01910	0.7
68.99841	1.1
69.03482	0.7
69.43046	1.1
69.43475	1.8
71.01392	13.5
71.05025	1.4
72.01739	0.3
72.99318	3.8
73.02971	1.0
75.00450	0.7
75.00882	14.1
79.21265	0.3
80.44413	0.2
81.03475	0.5
83.01379	1.4
83.05053	1.4
85.02966	17.7
86.03337	0.4
87.00883	5.5
89.02457	2.7
93.03476	0.4
95.01409	4.2
97.02985	0.4
99.00900	8.1
99.01515	0.5
101.02491	1.0
103.00386	1.7
111.00909	0.9
111.04516	0.5
113.02469	18.9
115.00397	1.3
117.01949	1.8
121.03028	0.3
129.01979	1.2
131.03525	0.4
147.79869	0.2
148.04593	0.3
153.88826	0.2
157.01453	0.7
163.11310	1.6
164.18132	0.3
175.02513	2.4
177.16557	0.4
181.12361	15.3
182.12712	1.0
189.04103	0.6
193.16063	0.3
195.17560	0.4
205.07195	0.7
221.15489	4.4
222.15755	0.3
223.08223	0.5
231.05144	2.0
239.16534	35.0
240.16875	3.1
246.05164	0.3
246.07820	0.3
249.06152	16.5
250.06462	0.8
267.07214	2.5
268.07434	0.3
327.21866	0.6
429.21045	0.4
438.70779	0.3
471.22403	2.3
472.22372	0.6
489.23325	100.0
490.23672	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	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	46.3
57.58661	0.3
58.03795	0.9
59.01377	3.4
61.98821	0.8
66.91560	0.3
69.39764	2.7
69.40192	1.4
71.01402	1.3
81.03493	1.0
83.01416	0.8
89.02490	0.6
90.18016	0.4
95.01423	0.4
98.20641	0.9
99.04536	27.2
100.04878	0.8
101.02457	9.0
101.03075	0.5
107.01420	0.4
107.05103	0.4
111.00928	0.7
111.67335	0.4
113.02502	0.5
117.03515	0.4
119.00078	0.4
121.02961	1.1
122.03770	3.2
122.19697	0.4
123.00983	0.4
123.04582	0.7
125.02466	12.1
128.98564	0.3
133.02979	5.2
135.00888	0.5
135.04572	3.6
138.03278	0.5
139.00444	0.4
143.03549	0.5
149.02496	0.8
149.06229	0.3
150.03241	4.4
153.01959	14.3
153.05594	5.1
154.02330	0.5
154.05942	0.4
160.01674	0.7
161.02466	22.1
162.02812	1.4
163.04054	0.4
165.07697	0.5
167.12558	0.3
168.04303	26.5
169.04694	1.5
179.03465	2.2
183.06642	100.0
184.07007	6.2
184.98518	0.4
220.24202	0.3
221.04654	0.4
340.95126	0.3
489.16177	18.3
490.16537	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08012	0.4
58.46858	0.5
59.01382	11.7
60.59298	0.6
63.47002	0.5
63.58505	0.4
69.59622	1.0
69.60025	3.4
71.01389	10.1
73.02966	1.6
75.00871	0.5
83.01389	0.6
85.02966	2.6
87.00916	0.6
87.50350	0.5
89.02456	7.3
95.01411	0.9
96.99865	0.4
99.13687	0.5
101.02464	5.1
103.00363	0.8
107.88338	0.4
113.02480	2.5
117.03478	3.2
119.03526	1.8
131.59584	0.5
132.02203	13.9
133.03046	2.3
133.05087	0.9
134.03767	43.1
135.04121	1.7
137.02420	0.9
141.88522	0.4
147.04530	2.3
148.05318	1.0
149.02461	0.8
149.06097	6.3
150.03259	0.6
151.06113	5.1
160.01685	74.0
161.02087	4.0
161.04604	0.5
173.06120	1.2
175.04030	85.8
176.04575	8.8
177.01978	0.7
177.05365	0.4
178.02740	2.5
179.03529	0.8
190.02751	0.7
191.07164	9.6
192.04239	0.7
192.07524	0.6
193.05083	60.2
194.05444	3.7
205.05176	1.3
207.06650	3.5
220.03682	1.2
235.06123	25.0
236.06471	1.9
265.07190	4.0
295.08032	4.1
296.08670	0.7
313.11340	1.0
315.56622	0.5
337.09277	2.3
355.10376	2.0
489.16147	100.0
490.16495	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1042
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01380	7.4
59.44345	0.1
61.98832	4.2
63.02394	0.4
65.00330	0.5
68.99821	1.0
70.48346	0.5
73.02953	0.4
75.00887	0.4
82.86487	0.2
83.01395	0.6
85.02966	0.4
87.00871	0.2
89.02455	0.6
91.01912	0.4
93.03458	1.2
96.96024	0.2
99.00892	2.6
101.02461	0.7
103.00361	0.2
107.01395	2.0
108.02200	0.3
109.02959	0.5
113.02447	0.4
115.00393	0.2
117.03455	0.3
119.05071	0.2
132.02203	1.3
134.17058	0.2
135.00899	1.7
135.04520	0.9
136.04903	0.4
137.02461	0.3
143.05019	0.7
145.02968	0.2
147.00899	0.2
147.04553	0.3
151.00397	1.6
153.01949	0.2
155.05092	0.3
157.06569	0.5
159.04520	0.7
161.02472	0.6
161.04625	0.3
163.00420	2.5
163.04124	0.3
164.01158	0.5
165.01970	0.3
165.05595	0.6
167.05031	0.6
169.01324	0.2
169.06607	0.7
171.04485	0.8
173.02318	0.2
173.06018	0.2
177.01877	0.5
178.99922	0.2
183.04532	1.0
185.02443	0.5
185.06070	1.4
187.04021	2.4
189.05605	0.7
190.99864	0.3
192.00731	0.2
195.04549	0.6
196.05246	0.3
197.06096	0.7
198.03180	0.2
199.04022	1.3
200.04770	0.4
201.05537	0.5
209.00887	0.3
211.04012	3.0
212.04709	0.2
213.05528	1.5
215.03497	0.3
223.04047	0.2
227.03505	29.3
228.03900	2.6
229.05045	8.7
230.05403	0.7
239.03493	1.6
240.04182	0.8
241.04984	1.2
248.53973	0.2
255.02975	65.5
256.03467	7.8
257.04544	5.6
258.04865	0.5
267.02951	0.8
267.15976	0.2
269.04346	0.8
283.02484	0.9
284.03253	86.1
285.04004	100.0
286.04370	9.1
291.07907	0.3
297.03870	0.4
326.04214	0.2
327.05048	0.6
327.10089	0.2
335.10419	0.2
350.08923	0.3
385.59155	0.2
389.21906	0.3
427.16223	0.3
429.08170	0.5
447.08939	0.2
458.17410	0.3
489.10342	48.5
490.10651	8.3
490.15765	0.3
496.92874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.03212	0.3
56.69378	0.3
59.01372	1.4
61.98821	0.8
80.26338	0.3
98.20652	0.8
179.85951	0.4
208.78842	0.3
262.82587	0.3
267.66760	0.4
455.31830	0.8
476.17624	0.3
487.34277	100.0
488.34644	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.68037	0.3
59.01376	1.6
61.98829	1.2
71.71269	0.6
73.01048	0.3
82.37936	0.4
88.47991	0.4
118.03872	0.4
131.87123	0.3
136.31978	0.4
172.23286	0.4
189.25362	0.3
189.30357	0.4
214.66385	0.4
220.32999	0.4
397.30930	0.8
407.33072	1.0
413.34198	0.6
425.34283	0.4
441.33768	18.9
442.34073	3.5
443.35440	0.6
451.31973	0.9
469.33176	1.4
487.34323	100.0
488.34653	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	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21442	0.2
57.03453	1.9
59.01381	2.6
61.98830	1.1
64.51293	0.2
71.01390	2.2
71.70683	0.4
73.83678	0.2
74.30888	0.2
82.29678	0.2
83.05042	0.3
86.50932	0.2
87.00871	0.2
89.02461	2.5
101.02462	1.0
106.87251	0.2
108.36658	0.2
113.02497	0.6
119.03519	0.4
120.91836	0.2
125.09708	0.3
143.03561	0.2
166.43689	0.2
179.05627	0.7
181.30029	0.2
190.49162	0.2
198.00204	0.2
207.10287	0.2
209.11858	0.8
216.81564	0.2
220.82318	0.2
245.18965	0.3
289.18051	0.8
307.19232	0.9
313.93246	0.2
319.20853	0.2
339.26566	0.3
345.27753	0.2
355.30124	0.4
381.27780	0.3
385.31686	0.3
395.29514	0.5
397.30911	0.5
409.31323	0.4
425.29852	0.4
425.34781	0.5
427.32034	1.8
429.30307	0.3
438.41827	0.2
441.29782	0.3
443.31006	1.9
457.29471	0.3
469.33401	0.5
475.82782	0.2
487.34778	100.0
488.35117	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	488.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98832	100.0
62.98531	0.4
92.36150	0.3
98.20760	0.4
114.61968	0.3
142.23708	0.3
215.15247	0.4
443.86334	0.3
445.35974	0.3
455.02292	0.4
487.34314	0.8
488.35068	6.0
489.35565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03454	0.2
58.00600	0.3
59.01367	0.3
61.55199	0.1
69.53343	0.2
69.53751	1.0
73.02941	0.9
100.39262	0.1
355.26456	0.2
357.27695	0.2
361.25739	0.2
377.28720	0.8
378.28952	0.2
391.29959	0.2
393.31583	1.5
394.31906	0.3
395.29315	0.2
423.32718	1.3
424.33035	0.3
425.30814	0.2
441.33847	0.2
443.31058	0.2
446.84729	0.1
457.33170	0.3
487.34409	100.0
488.34787	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	487.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64231	0.5
57.03471	0.6
59.01381	2.8
60.99309	1.4
61.98829	2.4
69.42982	5.8
69.93920	0.5
71.05029	1.2
81.47289	0.5
97.06596	4.2
150.51006	0.5
175.04164	0.6
179.04752	0.5
184.93216	0.5
191.14445	1.6
217.16075	0.5
255.30627	0.5
274.89230	0.5
355.26212	1.7
375.27063	0.6
389.28348	1.1
391.30139	2.9
393.27774	0.7
405.31610	5.7
406.31824	1.0
407.33353	11.0
408.33490	2.4
409.31073	2.4
423.33182	2.3
425.34085	1.0
439.32098	1.6
441.33768	14.7
442.34351	2.3
443.31723	1.9
449.30466	2.3
451.32190	17.4
452.32584	3.9
453.33749	97.5
454.34073	20.4
467.31848	3.2
469.33347	6.2
470.33301	1.5
471.34555	1.0
485.32190	1.3
487.34528	100.0
488.34845	22.8
497.32651	2.2
513.32294	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	487.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01369	0.4
60.99313	2.1
61.98811	0.7
67.33204	0.2
68.53216	0.2
69.03429	0.8
70.13464	1.0
70.13879	0.4
71.05017	0.3
82.25018	0.2
83.05043	0.2
98.19931	0.3
116.43770	0.2
161.44952	0.2
172.16081	0.2
183.73340	0.2
233.39139	0.3
261.66983	0.2
325.91617	0.2
379.29901	0.5
381.31607	2.6
382.31662	0.5
425.30606	11.3
426.30832	1.9
441.29965	0.4
442.30255	0.3
443.31729	3.6
444.31729	0.7
469.29306	0.4
486.32758	0.7
487.30478	100.0
488.30865	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	487.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29939	0.1
56.72324	0.1
57.03452	0.8
58.54623	0.1
60.99308	1.4
69.03440	0.6
70.79160	0.3
70.79537	0.3
71.04996	0.2
91.58514	0.1
97.59523	0.2
98.42316	0.2
112.67981	0.2
234.33733	0.1
290.00818	0.2
357.98749	0.1
365.28079	0.1
379.29929	0.7
381.31647	2.7
382.31970	0.3
392.44690	0.1
406.80280	0.2
423.32507	0.2
425.30646	14.0
426.25668	0.2
426.30981	2.4
441.29865	0.6
443.31516	0.5
447.41315	0.2
469.33011	0.8
487.30429	100.0
488.30795	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
56.23021	0.2
59.74579	0.2
61.09142	0.2
65.92538	0.2
66.77042	0.2
70.14983	1.2
70.15385	0.4
71.05020	0.9
83.05018	0.3
85.71449	0.2
96.23996	0.3
98.19913	0.3
101.76577	0.3
104.32632	0.3
111.50134	0.3
144.81335	0.3
371.29538	0.5
393.31525	0.3
405.32065	0.4
407.33279	1.1
423.32648	0.9
425.33987	0.8
427.32242	1.3
428.32654	0.4
437.30273	0.4
439.31992	0.4
443.35349	0.8
455.31650	0.4
467.31589	0.8
469.26669	0.6
469.33273	11.7
470.33585	2.4
487.34299	100.0
488.34662	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35594	0.4
57.03445	2.4
58.00583	0.7
59.01389	2.5
59.19732	0.3
61.98817	1.3
64.87285	0.4
69.03444	1.3
69.45631	0.4
71.01385	1.3
71.03017	1.0
71.05042	0.7
73.02954	10.3
85.02971	0.7
261.64221	0.4
280.88614	0.4
311.23831	0.7
327.26932	7.3
328.27118	1.0
377.28348	0.5
378.59485	0.4
383.29709	0.6
393.31796	0.4
395.29520	0.5
399.32840	0.6
407.30038	0.5
413.30402	1.6
423.33197	0.5
425.30334	2.7
426.31360	0.5
441.30005	1.6
443.31699	9.3
444.32047	1.4
457.29181	0.8
469.29196	0.9
487.30563	100.0
487.34314	52.7
488.30783	20.0
488.34851	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33243	0.2
70.86098	0.8
103.37931	0.3
110.26397	0.2
187.84169	0.3
248.64926	0.3
286.88214	0.3
369.31039	0.4
390.17062	0.3
397.30658	0.4
415.31537	0.5
425.30203	0.4
441.29996	2.7
442.30338	0.5
443.31699	20.8
444.31992	4.1
487.30219	100.0
488.30518	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	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03452	2.5
58.00584	0.8
59.01379	23.2
59.05677	0.4
59.87468	0.4
60.99282	0.4
61.54540	0.4
61.98833	15.1
64.84257	0.4
67.01881	0.5
68.99816	1.4
69.03466	2.0
71.01386	17.3
71.04993	0.4
71.71791	0.8
72.98968	0.6
72.99319	5.8
73.02953	2.1
75.00878	15.7
78.65805	0.4
81.03516	0.5
83.01400	1.5
83.05044	1.0
84.02176	0.6
85.02962	18.1
87.00881	6.5
88.98830	2.7
89.02449	4.5
89.14090	0.4
90.25264	0.4
90.98617	0.5
93.03480	1.1
93.33054	0.4
95.01394	4.2
99.00894	8.9
101.02449	2.6
103.00366	2.4
108.02186	0.5
109.02935	0.8
111.00885	0.9
113.02463	22.2
114.02800	0.7
115.00375	1.7
115.03951	0.4
116.07215	0.5
117.01974	2.5
117.83087	0.4
125.02419	0.5
129.01967	1.8
131.03571	0.6
133.02948	0.7
135.04536	0.8
139.00403	0.6
139.27803	0.5
149.09718	2.9
157.01442	1.1
161.02446	1.3
162.01677	0.5
167.10791	29.0
168.11205	1.9
175.02510	3.0
175.14876	0.7
179.10722	0.5
193.06593	0.9
193.16002	0.9
205.07132	1.0
209.11850	1.2
219.13872	1.2
223.08218	0.5
231.05090	1.9
237.14958	23.3
238.15276	1.9
249.06149	19.5
250.06419	1.4
267.07193	4.7
307.19113	1.2
325.20197	1.9
427.19644	0.5
469.20868	3.4
470.21292	0.8
487.21799	100.0
487.68347	0.7
488.22125	17.5
490.42856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
57.03451	2.9
58.00589	0.6
59.01382	25.7
61.98528	0.7
61.98834	12.7
63.11044	0.4
66.53864	0.4
67.01878	0.8
68.99802	1.4
69.03448	1.5
69.68829	0.4
71.01390	18.4
71.05033	1.9
72.99327	4.2
73.02950	2.0
75.00883	15.7
81.03452	0.7
83.01389	1.1
83.05018	0.6
85.02965	19.3
85.56073	0.4
86.00111	0.6
86.03251	0.5
87.00388	0.4
87.00883	5.9
87.31301	0.4
88.98820	0.5
89.02456	3.4
93.03413	0.5
95.01408	3.8
97.02920	0.5
99.00903	9.8
101.02473	2.3
103.00388	2.1
109.02897	0.4
111.00854	1.3
112.01720	0.4
113.02470	21.7
113.19281	0.4
114.02774	0.6
115.00359	1.6
117.01977	2.4
121.02883	0.4
121.10257	2.3
129.01968	1.8
133.10260	0.4
135.11848	3.4
139.00339	0.4
147.11763	1.1
157.01431	1.0
169.05014	0.4
175.02516	3.5
175.13684	0.4
175.14935	3.8
179.09380	0.5
179.10802	6.4
180.10979	0.5
193.15919	0.4
201.12836	0.5
205.07144	1.1
219.12196	0.4
219.13951	4.4
220.14236	0.8
223.08191	0.6
229.80164	0.4
231.05019	1.6
237.14980	12.9
238.15239	1.5
249.06157	17.9
250.06474	0.8
255.58894	0.4
267.07178	3.6
287.13651	0.5
325.20142	0.5
333.58768	0.4
427.24060	1.9
445.24496	5.9
446.25073	0.7
466.56769	0.5
469.20840	3.9
470.21310	0.7
487.21637	100.0
488.21918	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	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52895	0.1
55.01894	0.1
55.70910	0.1
59.01379	1.9
59.54662	0.1
61.98834	100.0
62.98544	0.3
71.01385	0.6
72.99313	0.2
73.02956	0.2
74.02453	0.1
85.02984	0.3
89.02449	0.3
99.00890	0.2
99.04519	0.1
101.02475	0.3
109.76161	0.1
111.00919	0.1
113.02466	0.3
115.79446	0.1
115.92122	0.3
116.92896	0.2
119.05045	0.2
128.03584	0.2
133.03015	0.2
134.03845	0.1
135.04526	0.2
142.44745	0.1
143.04659	0.4
144.04921	0.1
145.03001	0.2
161.02486	0.2
161.04623	0.2
167.03577	0.3
178.02748	0.1
249.06392	0.1
265.14490	0.4
267.07147	0.2
272.08881	0.1
307.08011	0.2
308.07651	0.5
391.38055	0.1
468.15878	0.1
485.33014	0.2
486.33038	0.2
487.21890	0.2
487.33218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
53.75379	0.4
57.03441	0.6
59.01124	0.6
59.01385	7.0
61.98827	2.7
67.33545	0.4
68.99824	0.3
69.37763	3.3
69.38183	1.4
71.01392	7.8
72.99319	0.7
73.02943	1.8
73.24044	0.4
78.95918	2.4
81.03477	0.7
83.01402	1.4
83.05042	0.5
85.02967	4.2
87.00894	0.8
89.02464	2.1
94.33183	0.4
95.01400	0.6
96.28451	0.5
96.39467	0.4
96.96031	10.1
96.96954	5.3
97.02947	0.6
98.02491	1.4
98.19856	0.8
99.00904	0.5
99.04576	0.7
101.02455	4.9
105.03493	0.4
108.02219	0.6
109.02972	1.0
111.00904	2.0
113.02486	2.1
114.05626	1.7
117.03506	0.7
119.03582	0.7
119.05037	5.7
121.02959	0.6
123.04591	0.7
125.02470	0.7
127.04029	1.0
132.02203	1.5
133.02980	29.1
133.06656	0.4
134.03876	2.5
135.04553	15.7
136.04903	0.6
137.02455	1.4
139.00392	0.9
139.04036	0.5
145.02934	1.1
145.05115	1.3
149.02547	0.4
149.06090	2.8
152.01189	0.4
154.05040	0.5
157.01381	0.4
161.02470	100.0
162.02809	6.6
163.04060	3.7
163.06145	3.5
167.03552	1.1
175.03981	2.1
176.04773	1.5
177.01985	0.7
177.05580	3.0
178.02805	0.6
179.03529	15.4
179.05763	0.6
180.03925	1.3
182.34752	0.4
190.02791	0.6
191.07053	1.9
193.05109	0.7
205.05119	0.8
221.04588	4.0
235.06148	9.3
236.06480	1.0
245.08194	0.4
251.05597	5.0
252.05939	0.5
253.07169	1.4
256.79819	0.4
265.07043	0.5
281.06662	8.4
282.07028	0.7
289.07202	0.7
307.08276	0.9
312.51422	0.5
323.07867	0.8
325.11801	2.0
341.08789	6.3
342.08914	0.6
343.08255	0.9
383.09909	7.6
384.10092	0.8
397.11365	0.6
413.11136	0.8
427.12726	2.1
469.12390	0.5
487.14587	62.8
488.14886	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	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15057	0.2
58.61734	0.2
59.01366	0.2
69.71421	1.3
107.29900	0.2
176.52223	0.2
261.20932	0.2
361.25391	0.3
377.28378	1.0
393.31900	0.9
393.36810	0.2
394.32086	0.3
405.31577	0.4
423.33066	0.5
441.34137	1.0
485.32706	100.0
486.33075	21.3
486.40549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16904	0.6
54.48849	0.6
59.01349	1.0
60.99279	2.1
61.98827	1.0
67.12585	0.6
71.05009	0.8
71.71734	1.2
78.95882	1.1
83.81503	0.6
84.36412	0.7
97.06586	5.0
109.55956	0.7
120.92860	0.7
122.45012	0.6
126.50073	0.6
133.25327	0.6
152.99512	0.8
164.86000	0.6
186.82307	0.7
254.19568	0.7
255.22867	1.0
263.61441	0.7
375.26236	0.9
389.28375	1.4
391.29810	2.1
392.30194	1.0
405.31543	5.4
407.33127	7.0
408.33121	1.8
423.32864	12.3
424.32828	2.6
437.30215	0.8
439.31934	1.8
441.33774	10.5
442.33719	1.9
451.32202	28.6
452.32516	5.9
453.33762	70.7
454.28137	0.9
454.34106	15.8
471.34491	1.6
472.21512	0.9
485.32397	100.0
486.32840	22.5
497.32828	8.0
498.32596	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	485.3273
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
52.70430	0.2
70.86234	0.2
70.86559	0.6
74.69494	0.2
89.01254	0.2
128.55067	0.2
165.82973	0.2
175.11310	0.4
189.12863	0.7
194.58359	0.2
241.52139	0.3
281.37735	0.3
343.50955	0.3
355.26428	0.8
377.28473	0.9
379.30075	0.7
413.27454	0.4
413.34442	0.7
414.34714	0.3
423.28201	8.4
423.33200	3.0
424.29257	1.4
424.33539	0.7
425.30698	0.7
439.32187	21.4
440.32468	3.7
441.33813	5.8
442.34003	1.2
457.33371	0.3
467.31323	0.6
483.31271	0.4
485.32733	100.0
486.33099	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	485.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18371	0.2
57.03455	0.9
58.00580	0.3
59.01383	0.2
69.03438	0.2
69.53055	0.6
69.53474	1.0
72.15925	0.2
77.17173	0.2
83.05044	0.9
84.79317	0.2
97.06587	0.2
98.84084	0.2
157.81485	0.2
208.90523	0.2
375.26990	0.2
381.28036	0.3
382.28467	0.3
391.30209	0.4
393.31876	0.2
405.31787	0.3
407.29831	0.3
411.33289	0.2
413.30634	0.3
421.31131	0.6
423.32730	0.6
437.30615	0.5
439.32278	0.7
441.33780	12.7
442.34064	2.7
455.31702	0.4
467.31439	0.2
485.32761	100.0
486.33130	21.0
492.19714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84471	0.3
60.03403	0.3
60.53998	0.3
61.12612	0.3
69.67165	1.7
71.05027	2.4
83.05032	0.3
97.00674	0.2
99.12653	0.2
106.72306	0.3
369.28058	0.5
375.26569	0.3
377.28619	0.8
391.30264	0.4
393.31796	1.2
403.30115	0.7
405.31931	0.4
421.31296	0.6
422.19308	0.3
423.32883	2.4
424.32980	0.6
425.30750	2.4
437.30643	1.9
441.33777	0.7
465.30197	0.4
467.31686	15.2
468.32068	3.3
485.32733	100.0
486.33084	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66155	0.2
71.05021	0.5
71.48293	0.3
71.48640	0.4
78.78003	0.3
133.00258	0.2
203.86510	0.2
242.92549	0.2
355.26288	1.4
356.26868	0.3
407.25925	0.3
423.28543	6.0
424.29340	0.9
425.30692	0.5
439.32144	12.4
440.32520	2.6
440.86380	0.3
441.33762	2.3
442.34497	0.3
457.33276	0.4
467.31696	2.3
468.32480	0.3
473.42664	0.3
483.31467	0.6
485.32721	100.0
486.33051	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43035	0.1
69.43358	1.6
79.91229	0.2
97.06579	0.3
114.02821	0.2
204.70631	0.2
209.70917	0.2
261.78723	0.2
349.25400	0.2
365.28601	0.8
381.31595	0.2
395.29504	0.5
411.32837	0.3
455.31497	0.2
485.32724	100.0
486.33078	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	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18180	0.3
56.46621	0.3
57.03450	1.0
69.03481	0.6
69.45011	0.7
69.45424	2.4
85.57150	0.3
109.06594	0.4
124.80414	0.3
145.54578	0.3
311.23834	0.6
325.25375	0.7
327.26953	1.4
376.81598	0.4
393.31583	0.4
395.33368	0.9
397.30984	0.6
421.31049	1.9
422.31763	0.4
423.28314	0.6
423.32880	1.3
439.26859	0.3
439.32635	4.0
440.32529	0.8
441.29001	2.2
441.34567	16.4
442.34711	3.8
455.31863	0.6
485.33508	100.0
486.33911	19.6
494.79538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01474	0.2
60.98799	0.2
60.99311	2.3
69.50802	1.4
69.51201	0.6
73.19958	0.2
80.52985	0.2
81.88007	0.2
87.85789	0.2
104.99559	0.2
128.84373	0.2
131.43394	0.2
171.84270	0.2
179.03630	0.2
187.53712	0.3
227.59758	0.2
423.32745	14.3
424.33075	3.0
439.32135	0.4
485.32739	100.0
486.33084	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24689	0.2
59.01368	0.4
60.99321	0.3
61.03437	0.2
61.98822	0.6
78.95911	0.2
119.33321	0.2
121.88120	0.2
125.09721	0.2
126.51936	0.2
163.61046	0.2
165.94035	0.2
166.16846	0.2
191.29713	0.2
243.49992	0.2
247.04919	0.3
255.22917	0.4
256.23746	0.4
257.23898	0.3
311.17133	0.2
423.32855	2.3
424.33054	0.4
439.32068	0.3
441.33826	0.7
467.31421	0.5
485.32739	100.0
486.33087	20.7
486.40506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85286	0.3
60.99309	1.9
68.76025	0.3
77.58459	0.3
82.87175	0.3
87.78695	0.2
88.07639	0.3
98.20670	0.6
112.93598	0.3
133.22185	0.3
230.17902	0.4
276.98279	0.4
380.21426	0.3
423.32721	14.0
424.33142	2.2
427.43100	0.3
439.32178	0.7
485.32718	100.0
486.33063	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	Acerinol
Peak:m/z	Relative Intensity
53.83126	0.1
58.13722	0.1
59.01381	0.3
69.21719	0.1
69.45540	1.3
84.02173	0.3
97.06624	0.3
116.39217	0.1
123.08181	0.2
137.12051	0.2
163.11299	0.2
185.32045	0.2
225.41510	0.1
256.13599	0.2
267.22757	0.2
323.11719	0.1
349.25629	0.7
350.25793	0.2
363.27081	0.2
365.28497	2.0
366.28812	0.3
377.28381	0.2
381.31693	0.4
393.27481	0.2
395.29620	1.4
396.29865	0.2
411.32614	1.0
412.33286	0.2
429.33582	0.4
441.34192	0.3
455.31583	0.5
456.32007	0.2
467.31949	0.2
485.32742	100.0
486.33118	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	485.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75600	0.5
56.35571	0.5
57.03456	4.2
57.43329	0.4
59.04006	0.4
60.99310	1.2
69.03474	3.3
70.14808	0.8
70.15225	1.7
83.05067	0.5
95.05017	0.5
97.06606	0.6
97.44592	0.4
98.20487	0.6
102.08015	0.4
109.06608	2.7
132.21951	0.5
137.09763	0.4
249.18642	0.5
267.19565	1.0
319.96677	0.5
325.25620	0.7
327.26938	1.4
357.24512	0.6
380.29669	0.5
391.29623	0.7
395.33493	0.9
397.31253	2.5
405.32123	2.3
406.32358	0.7
421.31207	4.1
421.36426	0.6
422.31415	0.7
423.28326	2.1
423.33487	7.6
424.33325	1.3
437.30719	1.0
439.27249	1.4
439.32993	9.6
440.32990	1.2
441.29849	18.4
441.34183	13.8
442.29984	2.9
442.34311	3.6
455.31479	3.5
456.32169	0.7
467.32022	2.7
468.32281	0.8
485.29028	100.0
485.33029	71.2
486.29141	16.6
486.33398	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	485.2911
Annotation	Tubelactomicin A
Peak:m/z	Relative Intensity
55.85085	0.7
59.01380	54.1
60.01723	1.0
60.99304	3.3
61.98822	2.0
67.74125	0.7
71.05032	2.1
85.02949	0.7
97.06593	2.5
123.08179	1.5
163.11237	0.8
189.09225	1.5
219.13951	0.9
343.22830	1.2
355.22614	1.0
370.25259	1.0
379.30164	0.9
405.27423	1.1
421.31223	1.1
423.28445	9.8
423.33728	1.2
424.29205	2.8
439.28314	2.0
441.29361	8.0
442.30051	1.1
455.31158	1.1
467.27521	1.9
473.98596	0.8
485.28925	100.0
485.32993	79.5
486.29202	19.3
486.33401	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1713
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
55.44276	1.0
57.03438	2.7
58.02982	10.3
59.01379	16.0
66.03490	1.4
69.99703	3.1
70.00117	1.4
71.01382	11.2
72.99315	1.7
73.02963	1.5
74.02480	28.1
81.04605	2.6
82.02991	3.3
83.01385	1.7
84.04494	1.0
85.02962	5.1
86.02489	10.4
86.06132	2.5
86.65871	0.9
87.00916	1.3
87.05647	4.4
89.02461	8.4
95.01391	1.1
95.02532	0.8
96.95984	1.2
96.99928	4.6
97.04088	2.7
98.06195	0.8
99.05656	21.3
100.06003	1.0
101.02444	5.0
101.07218	3.9
102.05612	3.6
107.06175	2.0
109.04100	5.2
109.07742	1.4
111.00895	1.1
111.05683	2.9
112.04066	3.3
112.88808	0.9
113.02484	4.6
115.04047	1.9
119.03522	3.6
119.05009	1.8
123.04579	0.9
123.05634	1.6
124.04038	1.3
125.02402	2.0
125.03567	3.4
126.03848	27.7
127.05124	4.3
128.03560	54.7
129.01961	2.3
129.03923	1.1
132.02208	1.0
133.02968	2.4
134.03711	2.1
135.04544	3.5
135.05672	8.3
137.07202	1.2
141.06696	3.4
143.04643	72.4
144.04982	2.0
145.06200	2.8
146.04646	7.9
147.04541	2.1
153.06700	5.3
160.01691	3.1
160.04074	4.2
161.02472	11.0
161.04599	1.3
162.02919	1.0
165.05582	5.2
166.09860	4.6
167.04671	4.9
167.08305	5.1
170.03300	1.1
171.04150	1.7
175.03972	6.7
175.07654	1.6
177.01987	1.3
177.05557	1.0
179.03197	2.0
179.04628	22.9
179.07175	3.0
180.04930	1.5
181.00815	1.0
181.06227	2.4
185.05716	1.4
187.07625	1.4
191.01910	1.2
192.07851	2.0
193.04979	1.7
197.05699	4.3
209.06700	4.0
210.08864	19.2
212.07513	6.4
228.09946	1.9
245.15530	7.8
249.11507	1.0
254.07822	36.9
255.08084	3.3
272.08878	54.7
273.09177	3.9
275.24567	0.9
277.74911	0.9
287.16602	2.0
350.88797	1.1
356.12823	10.9
399.13083	1.8
410.22293	0.9
425.92999	0.9
441.13510	1.5
467.16122	19.7
467.22653	2.1
468.16333	3.3
485.17139	100.0
486.17349	16.6
486.24155	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	484.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07799	0.9
54.56089	0.8
58.02978	8.3
59.01382	15.9
61.98833	42.0
66.03488	1.0
69.06953	0.7
71.01390	7.8
71.71779	1.6
71.72198	0.9
72.00921	1.3
72.90857	0.8
72.99317	1.5
73.02973	2.1
74.02482	19.1
75.00860	1.2
81.04607	1.6
82.02981	1.1
83.01407	0.9
85.02959	3.9
86.02493	9.1
86.99120	2.0
87.00880	1.8
87.05650	5.0
89.02444	2.7
90.00222	1.6
95.01379	1.2
96.65197	0.8
97.04071	2.3
99.00936	1.6
99.05654	17.9
101.02458	4.0
101.07211	2.8
102.05614	2.6
109.04098	2.2
109.07774	0.9
111.00900	1.5
111.05653	1.6
112.04086	2.5
113.02480	3.9
113.03609	1.1
116.01746	1.6
117.03471	0.8
120.01283	1.1
123.04543	1.3
123.05666	2.3
123.08181	2.3
124.04079	1.2
125.03557	1.4
126.02048	1.0
127.05152	3.5
128.03561	49.6
129.01994	1.3
129.03873	1.4
131.04623	1.2
133.02950	4.1
134.03810	1.7
135.04559	3.0
135.05678	5.2
141.06744	5.9
143.04645	71.1
144.05005	2.5
145.02957	1.9
145.06201	3.7
146.04613	6.2
149.02628	1.2
153.05650	0.8
153.06693	4.4
155.04596	0.8
160.00743	19.7
161.02460	8.0
166.09877	3.4
167.03444	1.4
167.04655	3.9
167.08270	3.3
171.04048	0.8
173.50851	0.8
177.01982	1.7
177.03410	7.2
177.05615	0.9
178.02734	3.0
179.04712	12.4
181.06242	2.4
185.05676	2.7
197.05702	2.3
198.08856	1.7
199.07129	0.9
204.06668	3.4
208.35342	1.0
210.08893	13.8
211.09225	1.0
228.09944	1.1
242.07874	1.6
252.34239	1.1
254.07825	26.4
255.08116	1.8
267.07101	3.0
272.08850	38.0
273.09201	3.2
275.09076	1.2
286.52719	0.9
288.06619	13.2
306.07654	100.0
307.07889	8.0
370.08945	1.8
404.21191	1.2
421.24380	8.9
467.15463	5.0
484.21381	6.8
485.20508	1.6
485.32333	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28922	0.2
57.03453	0.7
59.01382	8.2
60.52138	0.2
61.98834	8.5
62.56627	0.2
71.01386	2.1
71.72031	0.3
72.99313	7.7
73.02942	0.7
73.99654	0.3
83.01377	0.6
85.02960	3.4
87.00881	0.4
89.02463	1.1
99.00889	0.4
101.02452	1.7
111.00899	0.9
113.02465	1.0
119.03646	0.4
119.05042	9.7
120.05397	0.5
124.96664	0.2
125.02451	0.5
127.05555	1.4
129.01973	0.5
130.08752	0.6
133.02995	0.5
134.03726	0.9
135.04594	1.3
137.02499	0.4
141.01889	0.3
145.06656	0.4
147.04541	41.7
148.04843	2.7
149.02490	0.4
151.00398	0.9
161.02473	1.0
161.04568	0.8
164.04851	0.5
165.05588	100.0
166.05922	5.6
174.69717	0.3
177.01984	0.6
178.02673	0.3
179.03506	0.4
179.07208	0.4
186.24571	0.2
189.05589	16.1
190.05922	1.2
191.01997	0.7
191.05640	0.3
235.06212	0.3
251.11310	0.9
261.89029	0.3
275.09143	0.5
287.05630	0.5
293.12537	1.8
294.13120	0.3
309.11710	0.5
319.10333	1.7
320.10583	0.3
397.24594	0.5
449.11111	0.5
467.15665	0.3
485.15784	1.6
485.32999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07799	0.9
54.56089	0.8
58.02978	8.3
59.01382	15.9
61.98833	42.0
66.03488	1.0
69.06953	0.7
71.01390	7.8
71.71779	1.6
71.72198	0.9
72.00921	1.3
72.90857	0.8
72.99317	1.5
73.02973	2.1
74.02482	19.1
75.00860	1.2
81.04607	1.6
82.02981	1.1
83.01407	0.9
85.02959	3.9
86.02493	9.1
86.99120	2.0
87.00880	1.8
87.05650	5.0
89.02444	2.7
90.00222	1.6
95.01379	1.2
96.65197	0.8
97.04071	2.3
99.00936	1.6
99.05654	17.9
101.02458	4.0
101.07211	2.8
102.05614	2.6
109.04098	2.2
109.07774	0.9
111.00900	1.5
111.05653	1.6
112.04086	2.5
113.02480	3.9
113.03609	1.1
116.01746	1.6
117.03471	0.8
120.01283	1.1
123.04543	1.3
123.05666	2.3
123.08181	2.3
124.04079	1.2
125.03557	1.4
126.02048	1.0
127.05152	3.5
128.03561	49.6
129.01994	1.3
129.03873	1.4
131.04623	1.2
133.02950	4.1
134.03810	1.7
135.04559	3.0
135.05678	5.2
141.06744	5.9
143.04645	71.1
144.05005	2.5
145.02957	1.9
145.06201	3.7
146.04613	6.2
149.02628	1.2
153.05650	0.8
153.06693	4.4
155.04596	0.8
160.00743	19.7
161.02460	8.0
166.09877	3.4
167.03444	1.4
167.04655	3.9
167.08270	3.3
171.04048	0.8
173.50851	0.8
177.01982	1.7
177.03410	7.2
177.05615	0.9
178.02734	3.0
179.04712	12.4
181.06242	2.4
185.05676	2.7
197.05702	2.3
198.08856	1.7
199.07129	0.9
204.06668	3.4
208.35342	1.0
210.08893	13.8
211.09225	1.0
228.09944	1.1
242.07874	1.6
252.34239	1.1
254.07825	26.4
255.08116	1.8
267.07101	3.0
272.08850	38.0
273.09201	3.2
275.09076	1.2
286.52719	0.9
288.06619	13.2
306.07654	100.0
307.07889	8.0
370.08945	1.8
404.21191	1.2
421.24380	8.9
467.15463	5.0
484.21381	6.8
485.20508	1.6
485.32333	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	483.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62844	0.1
59.01367	0.3
60.99306	1.1
61.98816	0.4
71.05035	1.1
71.71592	0.2
80.23917	0.2
83.05031	0.3
109.06604	0.3
123.08205	0.3
137.06108	0.6
149.06090	0.2
159.72749	0.1
195.16850	0.1
221.13251	0.2
248.08018	0.2
284.12338	0.2
367.26343	0.9
368.27011	0.2
377.28741	0.2
393.31686	0.2
403.30035	0.3
419.29660	0.6
421.31100	4.5
422.31451	0.6
423.29083	1.4
424.29388	0.3
437.30576	1.4
439.32144	2.7
440.32690	0.5
445.29691	0.6
451.88867	0.2
453.30191	0.3
465.30099	12.0
466.30432	2.6
483.31177	100.0
484.31512	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41739	0.3
57.03460	1.3
67.70149	0.2
69.03457	0.2
70.86771	0.6
70.87124	0.3
71.05001	0.3
73.26020	0.3
83.05042	1.8
95.90520	0.3
98.19910	0.2
104.76381	0.2
167.37807	0.3
181.36682	0.2
282.03421	0.3
339.27084	0.4
351.27008	0.6
353.25098	0.3
385.27454	0.3
393.27881	0.7
393.32184	0.6
409.31232	1.5
419.29520	0.2
421.31100	2.2
422.31375	0.4
437.30493	1.0
439.32199	14.7
440.32578	3.1
483.31204	100.0
484.31531	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	484.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88467	0.1
59.01380	0.9
61.98833	100.0
62.98534	0.2
63.28421	0.1
71.01408	0.5
71.05076	0.1
71.71445	0.1
72.99332	0.1
85.02966	0.3
87.00893	0.2
89.02479	0.2
99.00915	0.1
101.02515	0.2
111.00915	0.5
113.02421	0.1
125.02436	0.1
129.01988	0.2
133.03038	0.3
134.03755	0.4
134.06166	0.1
135.02821	0.4
135.04556	0.4
146.08263	0.3
147.04576	0.1
161.02556	0.2
163.02289	0.4
164.07150	0.2
165.05556	0.1
165.07617	0.1
171.10214	0.1
177.01968	0.2
178.02760	0.3
179.03564	0.2
186.12473	0.1
191.01987	0.1
191.05659	0.2
202.88512	0.1
275.09268	0.2
277.12296	0.3
293.10291	0.2
369.48318	0.1
377.19302	0.3
391.06613	0.1
421.21582	0.5
422.21906	0.1
467.15845	0.3
474.53439	0.1
485.16431	0.2
485.23914	0.1
485.32309	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	483.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84405	0.2
59.06814	0.2
65.90463	0.2
67.11694	0.2
71.09000	0.5
76.97739	0.2
95.05013	0.2
137.09732	0.3
171.47249	0.2
237.36304	0.2
325.21967	0.2
327.26907	0.4
358.99207	0.2
384.51025	0.2
393.31747	0.5
395.33221	1.2
421.31104	2.1
422.31512	0.6
437.30585	2.8
438.30887	0.5
439.32208	18.6
440.32553	4.1
483.31174	100.0
484.31509	21.8
487.65866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74788	0.3
63.02415	0.3
69.60676	2.4
72.28938	0.3
367.74185	0.3
421.31030	2.8
436.78574	0.3
437.30588	3.0
438.31314	0.4
439.32196	22.6
440.32559	3.9
483.31183	100.0
484.31525	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	483.313
Annotation	Camaranoic acid
Peak:m/z	Relative Intensity
53.21040	0.1
53.76278	0.2
57.85916	0.2
60.37251	0.2
71.28522	0.6
78.95915	1.0
80.96284	0.3
86.80965	0.2
93.42078	0.2
96.81351	0.2
121.12063	0.2
134.24310	0.2
139.86960	0.2
152.99614	1.2
153.99968	0.3
155.00041	0.4
171.00554	0.3
173.00931	0.2
238.99928	0.2
245.04330	1.2
246.04626	0.8
247.04723	1.1
253.21684	0.7
254.22202	0.8
255.22289	0.5
259.53067	0.2
295.20499	0.3
363.26920	0.6
369.24222	0.4
377.28320	0.2
407.25909	1.6
407.29724	0.2
408.26340	0.4
421.31021	0.3
423.29056	25.8
424.29419	5.3
439.32172	29.0
440.32532	6.6
483.31186	100.0
484.31512	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.2
59.01379	2.5
61.98835	2.4
64.48259	0.2
67.34424	0.3
71.01400	1.7
71.71023	0.5
72.00916	9.8
72.99340	0.6
75.00894	0.5
80.05067	0.3
83.01418	0.5
85.02966	0.6
87.00877	0.3
89.02459	1.4
96.96042	0.2
99.00854	0.4
101.02470	0.8
111.00996	0.3
112.07714	2.5
112.98846	0.7
113.02489	1.2
115.00420	0.2
119.03529	0.6
119.05075	0.5
124.04047	1.4
125.02463	0.9
129.95222	0.2
133.03011	0.2
135.04558	0.3
137.02475	0.3
138.05617	0.3
142.05112	1.9
143.03450	0.2
145.01469	1.7
147.04544	35.1
148.04904	2.1
156.06679	1.9
157.07130	0.3
161.02467	0.6
161.04573	0.9
164.07187	100.0
165.01994	0.3
165.07553	5.6
176.65144	0.2
177.01941	0.5
179.03523	0.3
179.05675	0.6
204.02917	0.3
269.50287	0.2
305.06686	1.5
318.12039	0.3
319.33566	0.3
380.36948	0.2
402.47888	0.3
445.13681	0.3
451.09259	0.3
483.11490	2.9
484.12006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	0.4
70.79587	0.6
71.79933	0.3
78.95911	17.9
85.60497	0.3
96.96989	1.7
121.16906	0.3
131.04802	0.3
134.61606	0.3
150.98024	0.4
152.99609	31.3
153.99968	0.4
171.00667	1.3
203.14061	0.3
227.03267	3.7
233.08301	0.3
245.04417	1.2
255.23289	100.0
256.23654	10.7
275.12891	1.1
371.18723	0.3
391.22589	0.5
423.34583	0.5
483.27176	63.1
484.27509	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31926	0.2
69.48440	1.8
71.05002	0.2
88.09657	0.2
97.06616	0.7
111.35584	0.2
120.71114	0.2
152.09164	0.2
153.10367	0.2
179.76213	0.2
184.50659	0.3
193.77327	0.2
252.99263	0.2
325.25165	0.6
393.28091	0.8
393.32227	0.4
409.31177	0.7
465.30078	0.3
483.31161	100.0
484.31512	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	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41953	0.4
55.82475	0.4
71.19929	0.7
71.20276	0.9
78.95908	48.6
96.96968	3.6
116.72673	0.4
150.98117	0.5
152.99605	81.7
153.99994	1.5
171.00665	14.6
227.03287	8.2
231.13957	0.5
245.04306	64.0
246.04678	2.6
253.21712	41.2
254.22043	5.1
357.89807	0.5
384.50201	0.4
410.93134	0.4
481.25668	100.0
482.26031	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	482.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77262	0.5
55.01877	0.5
58.00589	0.5
59.01381	11.6
60.01728	0.7
61.98838	2.4
62.16646	0.4
62.91418	0.5
65.24350	0.5
66.02226	0.5
69.39174	0.5
69.74426	4.0
71.01384	8.6
72.99340	1.0
73.02950	2.3
77.70995	0.5
83.01411	1.7
85.02969	4.0
87.00900	1.7
89.02451	4.6
89.43720	0.5
95.01398	2.0
96.00984	0.5
96.04580	1.1
96.96008	0.8
99.00909	0.9
101.02449	4.8
110.06147	0.5
111.00912	1.3
113.02464	4.5
117.03484	0.7
117.85331	0.6
119.03514	1.5
119.05026	1.2
125.02362	0.6
126.05640	2.6
128.07169	3.0
132.02196	18.2
133.02975	2.3
134.03766	25.3
135.04309	0.8
137.02432	1.1
139.00414	1.3
139.04021	0.8
142.06665	0.8
147.04503	0.7
149.06093	3.2
158.06137	0.7
160.01682	87.6
161.02100	6.0
161.04648	0.9
173.06102	0.7
175.04027	100.0
176.04395	7.0
177.02022	0.6
178.02762	1.4
179.03520	0.9
190.02739	0.9
191.07161	3.5
193.05078	38.5
194.05486	2.6
204.06644	3.5
205.05095	1.2
207.06606	1.0
228.06720	1.1
235.06143	10.6
236.06401	0.7
265.07217	2.1
295.08145	3.5
337.09265	2.6
407.71228	0.5
422.11047	0.8
451.35083	0.6
464.15607	4.9
481.26620	3.8
482.16635	60.3
482.26321	5.2
483.16788	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
57.41271	0.3
59.01390	2.8
61.98832	3.1
69.78870	2.3
71.01370	1.4
71.46822	0.3
72.99313	0.6
75.00876	3.3
83.02296	0.3
85.02959	0.6
88.98833	0.4
89.02467	1.2
93.03474	0.6
95.01403	0.3
96.96061	0.4
98.19859	0.4
99.00891	0.3
101.02472	0.9
109.02930	0.4
111.00868	0.5
111.04603	0.6
113.02460	0.7
116.92923	0.4
117.11973	0.3
119.03584	0.3
119.05096	0.8
123.04531	0.4
125.02488	0.6
133.02982	0.9
135.04546	0.5
136.01721	1.1
137.02460	0.9
139.00351	0.3
151.00410	0.3
151.04047	1.2
155.03477	0.3
160.04042	0.4
161.02452	2.8
161.04498	0.5
161.08241	0.6
163.04025	1.1
165.05608	0.6
167.03561	0.4
179.03523	0.5
185.04601	0.4
185.06042	1.5
193.05196	0.4
195.04575	0.9
197.06146	0.8
212.04781	1.1
213.05582	9.2
213.07576	0.7
214.05949	1.2
223.04037	2.2
224.04671	1.2
233.59978	0.3
239.03596	0.6
240.04329	0.4
241.05066	57.2
242.05360	5.0
255.06599	0.3
256.07407	40.9
257.07733	4.3
271.09750	100.0
272.10080	10.5
319.08630	0.7
319.11856	18.1
320.12112	2.4
327.07159	0.6
445.13660	0.6
462.51645	0.4
481.15268	0.5
482.15674	0.3
490.23282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31366	0.5
51.75716	0.5
61.24209	0.5
63.67041	0.5
71.41956	0.8
71.42280	0.8
74.75986	0.5
78.95910	38.9
96.96989	2.8
110.08594	0.7
113.38320	0.6
150.98042	0.7
152.99611	58.0
153.99957	1.3
171.00655	15.3
227.03279	3.6
245.04317	100.0
246.04697	4.3
253.21730	63.9
254.22028	6.2
318.47983	0.6
481.25708	51.3
482.26077	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99693	0.1
51.62400	0.1
59.01368	0.4
59.75928	0.1
61.98831	100.0
62.98536	0.3
68.05694	0.1
70.41067	0.3
70.41428	0.5
71.01398	0.2
83.80469	0.1
85.02970	0.4
88.98837	0.2
101.02467	0.2
113.83503	0.1
117.34695	0.1
148.79135	0.1
151.63721	0.1
201.06982	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	481.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01381	7.7
60.99305	14.9
61.98833	52.3
62.98552	0.5
63.99259	1.0
67.01869	0.8
69.70775	4.1
71.01389	4.4
72.99318	2.2
73.02950	1.5
75.00875	2.2
83.01417	2.6
85.02962	16.3
87.00877	1.4
88.04033	0.5
88.98818	100.0
89.02449	1.5
89.99162	1.6
93.53013	0.6
95.01414	0.8
97.85696	0.5
98.09013	0.5
99.00932	1.2
101.02455	2.9
109.02972	0.7
111.00903	43.6
112.01225	1.4
112.04069	2.7
113.02484	1.9
119.04940	0.5
123.04559	1.8
125.02434	1.1
129.01990	6.0
133.03000	1.6
134.03764	1.1
135.03053	1.3
135.04572	0.6
137.02483	1.1
141.09265	3.7
151.04137	0.7
153.05603	2.0
154.99901	5.5
161.02429	1.9
161.04633	0.9
165.05640	0.6
173.00931	16.2
177.01985	0.9
178.02715	0.6
179.03571	0.8
203.64574	0.6
205.03548	2.1
249.06018	0.9
384.10602	1.4
391.16089	10.3
392.16473	0.9
419.23459	0.6
481.20343	0.9
481.79532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
58.47927	0.7
59.01383	16.6
61.98831	99.6
62.54408	0.6
67.01888	0.7
69.03466	0.6
70.91778	1.3
70.92158	1.0
71.01385	10.7
72.99318	3.1
73.02955	1.4
75.00880	9.9
85.02956	12.7
87.00870	4.5
89.02470	2.2
95.01403	3.1
99.00895	5.7
101.02466	1.4
103.00412	1.2
109.02978	0.9
113.02466	16.0
115.00393	1.8
117.01967	1.6
122.82394	0.7
125.09534	0.7
129.01913	1.1
129.75414	0.6
157.01286	0.8
167.10794	36.8
168.11093	2.0
175.02502	2.1
175.03993	0.6
219.53392	0.7
231.05077	1.9
249.06136	13.7
267.07138	3.0
354.14127	0.7
361.28714	0.6
382.21152	0.7
399.16760	1.3
417.17661	100.0
418.18097	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	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.1
59.01372	0.3
61.98832	100.0
62.98537	0.3
62.99247	0.1
63.99272	0.1
66.41479	0.1
69.58987	0.7
69.59394	0.3
70.91859	0.1
71.01382	0.2
77.14983	0.1
85.02971	0.4
91.50024	0.1
111.00905	0.5
116.92883	0.2
117.92947	0.1
123.04537	0.2
148.66959	0.1
153.05626	0.4
173.00932	0.1
176.22513	0.1
176.80359	0.1
184.52951	0.1
218.70186	0.1
317.29041	0.1
481.17792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	0.2
59.01378	2.2
61.98833	100.0
62.88132	0.1
62.98528	0.2
63.99271	0.2
71.01392	0.8
73.02975	0.2
75.00869	0.2
83.01407	0.3
84.22974	0.1
85.02970	0.4
89.02461	0.2
89.04767	0.1
98.19827	0.3
99.00864	0.1
101.02466	0.5
107.05084	0.1
113.02495	0.3
113.38595	0.2
115.00388	0.2
121.02964	1.0
122.03285	0.2
129.02020	0.1
133.03053	0.2
135.04549	0.3
147.04608	0.1
153.01967	0.3
161.02524	0.2
167.10886	0.2
177.56822	0.1
179.03474	0.2
188.07639	0.1
233.15436	0.2
301.15518	0.2
327.13422	0.7
367.13913	0.1
377.19794	0.2
384.10947	0.3
417.17844	0.4
444.25116	0.2
480.19580	0.3
481.20926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59254	0.8
59.01385	16.1
60.99310	13.8
61.98835	24.3
69.82993	6.1
71.01399	8.2
72.99308	2.6
73.02946	1.6
75.00884	1.9
83.01403	1.4
85.02964	2.2
87.00904	4.6
88.00421	3.5
88.01228	1.0
88.04050	2.0
88.98820	100.0
89.02457	60.0
89.99169	2.0
90.01979	0.8
90.02853	0.8
94.03027	1.3
97.02975	1.2
98.20582	1.8
99.00913	1.8
101.02493	4.3
105.59418	0.8
108.02191	1.3
109.02956	1.1
111.00883	3.0
113.02490	2.6
119.03505	1.0
121.03053	1.2
122.02521	5.0
123.00904	1.6
123.04565	1.9
124.01687	1.3
125.02493	3.4
129.01958	0.9
133.02963	1.1
133.05104	2.3
136.01683	1.2
136.04095	1.3
137.02512	1.7
147.06664	2.9
149.02454	1.0
150.03294	1.1
151.00406	2.3
151.04036	1.4
153.02000	5.6
161.02464	3.5
161.04544	1.2
162.02995	1.0
165.05580	2.5
178.99974	0.9
179.03680	1.1
195.06664	1.6
201.65752	0.9
257.13889	1.7
272.06870	1.2
287.09412	2.8
317.03058	2.8
317.06720	1.0
317.10443	3.0
416.12833	2.6
435.09436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.89722	0.7
57.03448	6.3
58.00578	1.0
59.01378	25.8
61.98833	8.7
70.60202	2.4
71.01388	28.3
71.72797	0.7
72.01684	0.7
72.38429	0.8
72.99320	5.1
73.02953	3.9
75.00881	7.3
79.95720	0.7
81.03452	0.9
83.01389	2.3
85.02956	5.2
87.00881	32.7
88.01255	0.9
88.98829	3.6
89.02444	11.3
93.03445	2.2
94.74136	0.7
95.01402	2.0
95.05029	0.9
96.96020	27.7
97.02977	1.4
99.00906	5.8
100.98835	0.8
101.02452	8.6
103.00391	2.2
108.93005	0.7
109.02952	4.0
111.00901	1.2
112.98813	1.7
113.02476	6.6
114.93408	1.6
115.00388	53.1
116.00719	0.8
116.92879	1.8
119.03503	4.6
120.97675	1.0
121.02961	2.8
123.04539	1.3
124.01616	1.0
125.02460	50.4
125.06104	0.8
126.02785	2.8
131.03496	1.3
131.07162	2.7
133.02962	2.0
135.03003	5.5
135.04544	1.2
137.02464	8.0
139.04048	3.6
142.99864	3.0
143.03503	1.0
148.58664	0.7
149.02440	5.1
151.00401	2.3
151.04010	2.3
153.01945	1.8
153.05652	1.0
159.03011	2.9
161.02452	1.2
161.04584	2.5
163.00397	4.1
163.04004	1.0
164.01173	2.3
165.01938	10.5
165.05544	0.9
166.02629	0.8
166.05127	0.8
167.03500	2.4
168.04343	1.5
173.00951	1.3
174.01723	2.7
175.02496	100.0
176.02867	4.2
177.01942	32.5
177.05338	0.9
178.02383	2.4
179.03528	3.9
179.05650	1.8
180.04297	2.7
183.06662	3.5
189.01924	1.1
191.03493	4.3
193.01427	2.8
195.03018	1.8
195.06648	14.7
202.99847	8.1
203.03593	1.0
204.00656	0.9
205.01535	1.7
207.06667	1.1
217.01422	8.6
217.05042	0.8
218.01974	1.0
219.03030	0.9
219.06602	1.6
221.01035	0.8
221.04582	1.2
225.07712	1.4
231.03040	1.0
235.02428	1.5
243.08771	3.1
257.04541	1.0
275.05807	1.1
281.04507	1.3
287.05597	3.5
297.04456	0.8
299.05582	2.1
301.03607	1.5
303.05142	5.1
305.06613	11.4
306.07019	1.1
317.12393	3.0
322.03528	0.9
323.04037	5.3
325.03506	0.8
327.13773	1.5
335.04047	1.6
343.04593	13.6
345.14508	0.8
357.11746	1.2
359.03897	0.9
361.05624	3.7
362.05865	1.4
371.04242	3.4
372.04776	1.1
381.13956	5.6
382.14621	1.0
420.14026	1.3
443.24530	2.1
461.07330	1.5
479.08340	8.3
479.14600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73424	0.3
57.03459	1.1
59.01374	2.2
61.98830	1.9
63.02399	0.3
65.00323	2.7
67.01897	1.1
68.99806	1.9
69.51738	2.4
71.01395	1.8
72.99325	0.6
73.02975	0.3
81.03484	0.6
83.01390	7.2
85.02954	1.6
88.98839	0.8
89.02461	1.1
93.03473	2.1
95.01415	0.4
97.02986	0.8
98.19891	0.4
101.02485	1.0
107.01414	3.6
109.02968	7.5
110.03291	0.3
111.00892	1.0
111.04543	0.4
113.02487	0.8
116.86391	0.2
119.03519	0.3
120.01275	0.4
121.02945	1.3
123.00900	0.6
123.04556	0.6
124.01712	0.4
125.02464	8.5
126.02827	0.5
133.32648	0.3
135.04478	0.4
136.01704	0.3
137.02444	4.0
139.04047	1.0
143.71414	0.3
149.02467	3.0
151.00391	21.1
151.03995	0.5
152.00859	0.9
153.01955	100.0
154.02306	4.6
161.02464	0.8
164.01198	0.8
165.01932	0.8
166.02855	0.4
167.03496	3.3
169.01476	0.5
175.00401	1.2
177.01944	11.4
177.03476	0.7
177.05408	0.3
178.02296	0.7
178.99890	0.5
179.03517	1.1
179.31525	0.3
191.03432	0.3
193.01503	0.5
195.02997	7.5
197.04630	0.2
203.03423	0.2
207.02928	0.7
219.02975	0.6
239.05617	0.9
271.02402	1.0
281.06647	1.1
282.06650	0.3
299.01996	2.5
316.02142	1.0
317.02991	0.7
391.04086	0.3
402.28568	0.3
407.09790	0.6
433.07602	1.0
435.09341	12.5
436.09479	1.5
441.17523	0.7
443.15662	0.3
461.07156	3.2
462.07571	0.6
475.91803	0.3
479.08136	12.1
479.25034	0.4
480.08633	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	478.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98832	100.0
62.98537	0.2
69.60099	1.0
69.60496	0.2
71.01390	0.2
73.62772	0.1
98.20573	0.2
101.02453	0.1
111.00914	0.1
177.21446	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	478.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
60.73122	0.2
61.98833	100.0
62.98536	0.4
69.65575	1.4
69.66005	0.3
71.01397	0.6
83.01392	0.2
89.02491	0.3
90.06601	0.2
96.95998	0.3
98.19744	0.2
99.73479	0.2
101.02457	0.4
125.02556	0.2
145.03006	0.2
147.68416	0.2
166.76305	0.2
317.88644	0.2
345.18716	0.2
479.08606	0.2
479.25391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04876	0.4
51.09951	0.3
57.03466	1.3
59.01373	3.2
59.01616	0.3
61.98833	2.1
65.00318	2.5
67.01922	1.0
68.99837	1.9
69.03471	0.4
69.50813	2.9
71.01385	2.4
72.99325	1.3
73.02950	0.6
81.03465	0.6
83.01390	7.4
83.01868	0.4
84.01705	0.3
85.02944	1.9
87.00851	0.4
88.98803	0.8
89.02473	1.3
93.03478	2.3
95.01422	0.4
95.05093	0.3
97.02963	1.1
98.20629	0.7
101.02477	1.3
107.01392	3.2
107.88533	0.3
109.02969	6.4
111.00941	1.2
113.02470	0.7
121.02979	1.0
123.00966	0.4
123.04525	1.0
125.02461	9.2
133.02994	0.5
135.04510	0.7
136.01697	0.7
137.02461	4.2
139.04044	1.0
143.04672	0.3
145.03052	0.4
149.02466	3.7
151.00392	21.6
151.04018	0.6
152.00833	1.1
153.01953	100.0
154.02324	3.5
161.02435	1.3
163.04039	0.4
163.17906	0.3
164.01154	1.6
165.01936	0.9
165.05559	0.4
166.02710	0.3
167.03534	3.0
168.04105	0.4
169.01479	0.6
171.10257	0.6
175.00415	1.5
177.00468	0.7
177.01953	10.5
177.03381	0.6
178.02222	0.5
178.99884	1.4
179.03491	1.2
179.05614	0.4
193.01501	0.5
195.02983	8.0
196.03348	0.6
205.01488	0.4
207.02991	0.6
219.02930	0.5
225.11342	0.5
239.05539	0.9
243.02888	0.4
249.30148	0.3
252.59972	0.3
271.02365	1.7
281.06604	1.3
299.02069	3.0
299.05411	0.5
300.02383	0.4
316.02228	2.1
317.02817	0.7
398.75919	0.3
407.09543	0.5
433.07660	1.0
435.03629	0.6
435.09293	10.5
436.09943	1.6
441.17343	1.0
443.15594	0.4
461.07376	3.3
462.07495	0.6
479.07980	12.1
479.24298	0.6
480.08112	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	478.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93849	0.1
59.01380	2.1
60.01713	0.1
61.54272	0.1
61.98834	100.0
62.98540	0.1
69.59415	0.5
69.59850	0.5
71.01395	0.6
72.99326	0.2
73.02953	0.2
73.68410	0.1
75.00867	0.3
83.01404	0.2
85.03005	0.3
87.00886	0.2
88.98809	0.2
89.02461	0.2
101.02475	0.4
109.24895	0.1
111.00900	0.3
113.02480	0.3
116.92885	0.2
119.03611	0.1
119.05077	0.2
125.02402	0.1
135.04578	0.3
143.68436	0.1
151.07727	0.2
161.02437	0.3
161.04544	0.1
162.10284	0.1
163.04025	0.3
165.05591	0.3
179.03593	0.1
189.16229	0.1
204.06650	0.3
217.90601	0.1
252.32736	0.1
271.18951	0.1
273.12451	0.2
331.10364	0.4
418.25360	0.2
419.26349	0.2
435.22470	0.4
462.09195	0.2
479.15546	0.3
479.25266	0.4
479.31940	0.2
504.90594	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	478.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15856	0.1
57.03454	0.2
59.01379	1.9
61.98833	100.0
71.01382	1.3
72.99319	0.3
73.02960	0.3
75.00887	0.5
85.02953	0.9
87.00913	0.3
88.98830	0.4
89.02486	0.4
95.01438	0.2
96.51854	0.1
96.57819	0.2
96.97022	0.2
98.19839	0.4
98.47644	0.2
99.00894	0.3
101.02471	0.5
111.00909	0.4
113.02485	0.6
115.04079	0.2
125.02506	0.2
135.04649	0.2
148.64751	0.2
161.02505	0.4
161.04514	0.2
179.03516	0.2
183.13963	1.0
184.14270	1.1
196.48940	0.2
227.03769	0.2
228.10249	0.2
274.08096	0.2
418.25266	0.3
478.20053	3.1
479.20026	0.8
479.28616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70261	0.1
58.05499	0.2
59.01381	3.3
60.69464	0.2
61.98833	100.0
62.98536	0.2
71.01387	2.3
73.02957	0.3
73.54922	0.2
74.00349	0.2
78.02711	0.1
83.01393	0.2
85.02981	0.6
89.02457	1.7
94.05234	0.2
95.01408	0.2
101.02471	1.3
101.68340	0.2
106.06593	0.1
113.02467	1.1
118.97177	0.2
119.03574	0.9
128.77019	0.2
143.03508	0.2
150.05586	0.2
161.04626	0.4
179.05649	0.3
179.14534	0.4
180.66098	0.2
209.15546	0.2
217.12305	0.9
235.13440	1.1
242.28978	0.2
255.11328	0.3
274.11121	0.2
326.83069	0.2
397.19281	0.2
415.19711	9.7
416.20068	1.6
428.25323	0.2
478.29004	0.2
479.16647	0.2
479.30630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
60.07703	0.1
61.98831	100.0
62.98541	0.2
70.65230	0.2
70.66390	0.1
70.90303	0.3
70.90651	0.1
71.01389	0.5
72.99337	0.2
73.02950	0.2
75.00870	0.2
78.95914	0.6
81.03472	0.2
83.01408	0.2
85.02949	0.2
88.98826	0.1
89.02480	0.4
93.03515	0.2
95.01395	0.2
96.96981	0.4
97.02987	0.1
100.43964	0.1
101.02467	0.3
106.06628	0.3
109.02972	0.1
111.00902	0.6
111.42832	0.1
112.98841	0.1
113.02467	0.2
119.05080	0.4
123.04571	0.3
125.02447	0.2
135.04634	0.2
137.02469	0.1
149.02519	0.2
150.05627	0.3
161.02489	0.3
161.04695	0.1
163.04039	0.3
167.03471	0.7
168.03857	0.3
179.03528	0.3
204.06750	0.3
273.07764	0.4
274.08041	1.0
369.55914	0.1
403.20813	0.2
418.25516	0.2
478.19400	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	478.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.2
59.01381	9.3
61.98835	100.0
62.62352	0.2
62.98533	0.3
69.03471	0.2
69.95119	1.2
71.01392	5.3
71.01765	0.4
72.01741	0.3
72.99316	0.3
73.02953	6.1
74.03226	0.2
75.00902	0.3
83.01407	1.8
85.02980	0.9
89.02438	0.4
97.02969	0.5
98.19963	0.4
99.04536	0.3
101.02463	4.0
109.02995	0.3
111.00968	0.2
113.02454	1.7
122.03783	0.2
125.02492	0.7
143.03497	1.5
145.03029	0.2
149.09735	0.3
155.03539	0.6
161.02489	0.4
161.04593	0.5
163.11263	0.3
167.10802	11.8
168.11203	0.6
181.12415	0.5
191.10786	3.4
192.11172	0.3
203.05714	1.0
209.11879	1.7
210.12230	0.5
215.85777	0.2
221.11890	0.4
257.39297	0.2
332.79266	0.3
439.67862	0.2
477.30396	0.4
477.71985	0.4
478.29480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.2
59.01381	16.0
60.01720	0.7
61.98833	100.0
63.46534	0.2
68.03828	0.2
71.01392	1.4
71.71655	0.2
71.99648	0.2
73.02962	0.5
75.00880	0.3
85.02979	0.8
87.00900	0.3
89.02453	1.3
101.02460	1.3
113.02496	0.8
116.62256	0.2
119.03527	0.5
129.08980	0.2
131.03539	0.5
137.73940	0.2
147.17291	0.2
174.20560	0.2
217.12378	0.4
235.13484	0.6
267.07297	0.5
293.85931	0.2
310.83539	0.2
317.24936	0.3
318.25311	0.3
371.20715	0.2
379.83362	0.2
397.18710	0.3
415.19818	3.3
416.20288	0.7
477.28244	0.3
478.28992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.82648	0.4
57.03450	1.2
58.00607	1.2
58.65428	0.3
59.01380	100.0
60.01720	1.7
61.98833	28.3
62.01500	0.3
65.86255	0.3
69.03461	0.6
70.87041	0.8
71.01389	24.6
72.01728	0.4
72.99319	2.7
73.02962	1.6
75.00880	3.7
80.50386	0.3
83.01393	1.5
85.02956	8.4
87.00887	3.5
88.98795	0.3
89.02454	28.8
90.02779	0.8
95.01420	1.8
97.02949	0.4
99.00897	3.3
101.02459	12.6
104.24294	0.3
107.03497	0.3
111.00902	0.7
113.02463	12.8
114.02798	0.8
115.00396	0.7
117.01904	0.5
119.03522	12.0
125.02467	0.8
129.01949	0.7
131.03508	1.9
133.85902	0.3
137.02402	0.4
143.03537	3.7
149.04607	1.1
157.01418	0.3
161.02502	0.6
161.04565	6.1
165.12845	2.2
172.89455	0.3
175.02487	0.9
179.05634	15.2
180.05994	0.5
183.04550	1.0
183.13910	27.2
184.14301	1.6
205.08694	0.6
209.11870	0.6
223.09586	0.4
227.12920	2.1
249.06194	2.6
267.07254	0.8
271.02658	1.6
272.02838	0.4
299.01913	2.1
301.03552	0.7
301.16522	1.2
312.89868	0.4
314.04327	1.7
315.04932	2.0
316.05548	0.3
330.03799	0.3
415.19516	1.6
416.20670	0.4
417.24911	4.3
418.25055	0.5
433.21045	0.4
459.18399	1.0
477.10236	1.7
477.19666	31.0
478.20151	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	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03449	1.9
58.00596	1.5
59.01382	100.0
60.01719	1.2
61.98833	38.7
63.99233	0.4
67.01917	0.7
68.99844	0.7
69.03475	1.0
71.01389	28.5
71.34279	0.5
71.42904	1.0
72.01733	0.4
72.99314	4.3
73.02947	2.4
75.00880	7.1
80.67552	0.5
81.03452	0.5
83.01397	1.9
85.02962	13.0
85.03444	0.8
87.00891	4.4
89.02457	28.2
90.02803	0.6
91.04024	0.5
95.01398	3.5
97.02926	0.5
97.37568	0.5
99.00892	7.1
99.16194	0.5
101.02457	14.1
103.00423	0.6
107.03489	0.5
111.00927	1.1
111.08136	0.7
113.02472	17.8
115.00412	1.2
117.01980	1.1
119.03527	11.4
125.02478	0.7
129.01991	1.0
131.03522	1.9
143.03555	3.8
149.04614	1.6
157.01532	0.5
159.02893	0.5
161.02534	0.8
161.04582	7.6
165.12869	5.4
175.02502	1.8
179.05635	16.2
183.04509	1.5
183.13918	56.5
184.14243	3.8
205.07178	0.6
209.11830	0.9
227.12898	2.4
231.04984	0.6
249.06142	6.8
255.12489	0.6
267.07227	1.7
301.16672	2.6
415.19586	3.3
417.16864	0.8
417.19232	0.6
417.24942	8.1
418.25146	1.8
459.18573	1.9
477.19727	69.9
478.20151	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
60.65297	0.4
60.99311	13.1
61.98832	1.5
69.38721	3.1
69.39147	1.6
71.01388	4.1
72.99310	0.6
73.02924	0.6
74.99073	0.4
85.02952	2.1
87.00893	1.0
88.00414	1.3
88.98819	100.0
89.02457	19.0
89.99153	1.2
93.03504	0.4
99.00890	0.7
101.02454	1.9
111.00900	6.8
113.02457	1.9
118.98096	0.9
119.03518	0.6
121.02983	2.9
121.03709	0.5
123.04523	0.6
126.86800	0.4
135.04590	0.7
147.04587	1.0
152.01144	0.5
160.04010	0.5
161.02409	0.7
161.06036	0.6
227.07082	0.6
241.07414	1.2
241.14540	0.4
242.08025	1.2
243.08786	0.6
255.06650	1.5
256.07339	0.8
267.06982	0.7
269.08087	1.8
282.08948	1.2
283.09662	0.7
287.10278	0.5
299.09396	0.6
300.10025	2.8
301.10730	1.4
315.12439	2.5
329.10132	0.9
377.14746	2.6
378.14828	0.4
387.11832	0.5
462.15329	4.5
477.17624	30.7
478.18042	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	477.1401
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
54.73612	0.2
55.01881	0.4
57.03444	0.3
58.00587	0.3
59.01382	8.3
60.01711	0.3
61.98835	1.3
69.03464	0.2
69.90002	0.2
70.01525	0.2
71.01388	4.3
71.72035	0.2
72.99336	0.4
73.02962	0.5
77.21356	0.2
77.27388	0.2
83.01420	0.4
85.02957	1.1
87.00900	0.9
88.98778	0.2
89.02455	3.4
93.03456	0.4
95.01424	0.4
101.02443	2.6
105.03457	0.4
109.02966	0.5
113.02473	1.8
115.00387	1.0
117.03478	0.7
118.98113	0.4
119.03556	1.6
121.03046	0.3
123.04535	4.1
125.02417	0.2
129.02037	0.3
132.02170	1.1
133.02975	26.4
134.03398	0.8
135.04544	13.4
136.04898	0.6
137.02493	0.3
139.04001	1.1
145.02951	0.6
149.02521	0.3
149.06110	0.5
151.00383	0.9
153.01981	0.5
153.05588	3.6
161.02466	100.0
162.02782	5.2
163.04036	0.2
165.05609	0.2
169.01482	0.4
169.05054	1.1
175.02512	1.9
175.03970	0.3
177.05574	1.2
178.02615	0.3
178.99905	0.2
179.03508	4.1
179.05298	0.2
179.05748	0.3
180.03900	0.4
197.11841	2.1
221.04573	1.1
222.04817	0.2
241.10759	0.3
251.05617	0.5
272.03470	0.2
281.06610	1.0
285.13403	0.2
301.03561	0.9
315.01773	0.3
315.10870	2.8
316.11035	0.3
323.07745	2.7
324.08069	0.3
331.10413	0.3
477.14032	50.0
477.19733	3.4
478.14359	8.5
478.26343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47857	0.3
54.82775	0.3
57.03463	0.3
59.01385	4.3
61.98831	5.1
63.02384	0.4
64.91566	0.3
65.00336	0.6
67.62733	0.3
69.70765	2.1
71.01386	1.0
72.00901	0.7
72.99309	0.5
74.02477	1.3
75.00884	0.4
80.72018	0.3
83.01425	0.4
85.02957	0.4
89.02425	0.4
92.52263	0.3
98.19800	0.3
101.02451	0.7
107.01414	0.6
107.05035	0.6
110.53436	0.3
113.02421	0.4
123.00988	0.3
123.04569	0.4
123.25879	0.3
125.02487	0.8
129.10359	2.7
130.10689	1.0
133.02975	0.9
133.06664	1.9
134.06082	0.6
134.06975	1.2
135.04546	0.5
137.02538	0.4
138.32043	0.3
139.08794	0.8
140.07211	0.4
148.07733	0.5
151.00398	2.3
152.01106	0.4
153.01945	0.6
155.08328	1.4
160.01544	0.3
160.07690	0.5
161.02481	2.1
161.08008	0.4
169.01485	0.6
171.04532	0.9
175.04034	0.7
178.99876	0.4
179.03568	0.4
179.08266	0.9
180.08643	0.7
183.04585	0.4
192.09048	0.7
193.09450	0.8
195.08586	0.4
197.16478	0.4
199.04027	4.1
201.01953	1.2
202.02730	0.3
203.03528	0.8
204.04285	0.5
205.05142	0.3
205.09843	1.8
206.10109	0.9
215.03552	3.1
216.03934	0.3
221.07213	0.3
221.09242	0.5
222.09593	0.6
224.08028	1.0
225.01958	0.5
225.08360	0.7
226.02699	0.6
226.08696	0.3
226.16388	0.3
227.03476	3.4
227.11955	0.4
229.01373	0.5
242.02226	8.6
242.18794	1.7
243.02983	41.5
243.19003	1.8
244.03294	3.3
244.19272	0.3
249.08755	0.7
250.09125	0.6
255.02971	0.6
257.04559	12.6
258.05048	1.4
263.17639	0.4
264.18161	0.5
266.11459	6.0
267.11804	7.4
268.11926	1.9
270.01678	11.2
271.02466	40.8
272.02789	3.7
285.04068	22.3
285.07343	0.6
286.04752	8.4
287.05215	0.6
298.98611	0.4
299.01996	8.7
300.02692	5.7
301.03180	0.7
314.04330	47.7
315.04941	12.2
316.05502	0.7
357.05927	0.7
358.06641	0.4
373.18854	0.4
377.26315	0.4
407.49533	0.3
419.21219	0.3
432.27097	1.3
433.27094	0.9
459.23181	0.3
460.24591	0.4
476.25967	20.7
477.10400	100.0
477.25845	16.7
478.10730	15.0
478.26251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33257	0.3
59.01379	0.9
61.98838	1.5
64.32365	0.3
70.28006	1.2
71.00008	0.2
78.95910	37.7
96.96985	1.3
101.04854	0.2
107.58123	0.3
115.85785	0.3
120.90237	0.3
122.00159	1.2
123.91772	0.3
140.01216	6.4
152.99619	4.4
161.60536	0.3
165.71887	0.2
171.00667	3.6
196.02002	0.6
196.03821	11.5
197.04239	0.5
213.94295	0.3
214.04900	2.4
261.22327	0.4
279.23291	100.0
280.23639	11.8
301.00259	0.3
301.03632	1.0
341.26837	0.3
357.14093	0.3
415.22083	0.4
475.36047	2.2
476.27826	43.4
477.28189	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98830	1.7
66.47243	0.3
71.70953	0.3
77.37205	0.3
78.95914	100.0
90.28580	0.3
96.96981	8.5
97.01206	0.3
106.64249	0.3
121.02943	0.4
135.60760	0.3
147.88234	0.3
152.99614	18.8
171.00662	21.4
172.01062	0.4
246.58365	0.3
279.23386	1.7
296.23056	0.4
301.00000	0.4
301.03583	0.8
303.05490	0.3
402.24295	1.6
476.27829	63.2
477.28143	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	476.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
58.00583	0.2
59.01383	24.1
60.01722	0.4
61.98835	100.0
66.41401	0.2
69.77547	1.0
71.01392	5.7
72.99317	0.5
73.02953	1.5
75.00893	0.4
79.36597	0.1
83.01392	0.9
85.02969	2.3
87.00894	0.5
87.04520	0.1
88.98801	0.4
89.02462	3.7
93.03463	0.4
94.03839	0.2
95.01402	0.3
98.20547	0.2
99.00880	0.5
101.02457	5.3
109.02934	0.2
113.02463	2.7
119.03516	1.7
119.05024	0.2
125.02438	0.4
125.06087	0.3
125.98111	0.1
134.03745	0.2
137.02505	0.8
141.35603	0.2
143.03452	0.6
149.04478	0.2
159.02933	0.5
161.02414	0.4
161.04579	3.6
163.07611	0.1
165.05620	0.2
175.03925	0.2
179.03430	0.2
179.05539	1.4
183.13966	0.2
205.03397	0.2
255.19406	0.3
307.44009	0.2
312.22998	0.2
315.17871	0.2
336.10739	0.2
416.23090	0.5
417.24982	10.5
475.27826	0.2
476.25873	0.3
477.22992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.63940	0.1
53.49113	0.2
55.58311	0.2
56.07952	0.2
59.01371	0.6
61.98818	0.3
68.80199	0.1
71.01388	0.2
75.00877	0.2
78.95911	7.4
85.02991	0.2
88.12534	0.2
91.54521	0.1
96.97021	0.2
99.00938	0.2
113.02487	0.3
125.06110	1.0
126.06413	0.3
127.07633	0.2
140.01202	2.1
151.00320	0.2
152.99597	0.9
169.72781	0.2
171.00636	0.3
178.99916	0.2
196.03812	1.2
214.04866	3.2
223.03656	0.2
227.20241	0.6
229.79575	0.2
235.09654	0.2
236.10208	0.2
237.11206	0.2
261.22379	0.3
265.14484	0.2
279.23285	100.0
280.23636	11.9
301.03604	1.3
322.14154	0.2
390.19812	0.2
475.33810	0.3
476.27759	14.4
476.33057	0.5
477.06842	0.2
477.28015	3.2
491.60559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3068
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
57.03459	0.6
59.01383	1.9
61.98839	3.5
71.01394	0.5
71.71162	0.5
83.05018	0.5
93.67857	0.3
95.05062	0.8
97.06625	0.4
99.08192	0.4
101.02427	0.3
125.06114	1.7
143.59991	0.3
148.84831	0.3
209.11862	4.0
265.14465	0.6
273.22415	0.7
293.14053	0.8
305.95313	0.3
325.25565	0.5
341.28571	0.8
369.28094	0.5
385.31247	0.5
413.31110	1.0
429.30176	3.0
430.30515	0.5
431.31976	23.6
432.32162	4.4
475.30939	100.0
476.31332	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	475.3067
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
50.15542	0.3
50.59831	0.3
51.38040	0.3
59.01370	1.2
60.99311	5.6
61.98821	1.3
64.29016	0.4
68.99813	0.3
69.30594	0.3
71.27478	0.9
74.18942	0.3
78.95934	0.5
83.05037	0.4
95.86597	0.3
97.06599	0.4
113.50458	0.3
123.04755	0.4
125.06090	1.4
125.09738	0.4
142.09534	0.3
151.17049	0.3
156.54164	0.4
188.70963	0.3
193.76225	0.3
203.91396	0.4
209.68762	0.4
265.14453	0.7
293.14053	0.5
351.26941	25.1
352.27365	3.9
353.28494	4.2
354.28809	1.0
363.26953	0.9
381.28006	9.7
382.28305	2.1
399.28906	1.3
429.30142	1.0
457.25708	0.4
475.30640	100.0
476.30966	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	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
58.00597	1.4
59.01379	100.0
60.01713	1.4
61.98846	1.6
68.60903	0.3
69.44220	2.9
71.01386	19.9
72.01718	0.3
72.99321	1.2
73.02966	0.7
83.01418	0.7
85.02953	3.4
87.00880	1.2
89.02454	32.4
90.02805	0.8
95.01424	1.2
96.95977	0.2
97.02970	0.3
99.00938	0.4
101.02457	11.2
107.03613	0.3
113.02467	10.2
113.03242	0.5
119.03519	12.9
125.02453	0.6
131.03531	2.2
143.03514	3.7
143.76193	0.3
149.04556	1.7
149.28329	0.2
156.09364	0.3
159.02745	0.3
161.04567	3.9
168.53807	0.3
174.53340	0.2
175.04050	0.5
179.05630	15.9
180.06049	0.7
202.40636	0.3
230.15331	0.3
249.20364	0.3
333.53043	0.3
337.02667	0.3
415.23471	1.1
475.17819	0.3
475.26755	0.9
495.73492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86194	0.2
59.01381	2.5
61.98830	0.6
63.88147	0.2
64.42670	0.3
65.01469	0.2
69.47774	2.5
71.01387	0.6
71.02509	1.0
72.00913	2.0
73.04079	0.7
74.02482	4.0
81.03470	0.2
82.06632	0.5
85.02986	0.5
89.02474	0.3
93.03493	0.4
98.01273	0.2
100.48533	0.2
107.05036	2.7
109.12575	0.2
110.82395	0.2
111.01986	0.2
112.07706	0.8
112.79333	0.2
112.85873	0.2
119.05032	1.1
120.05846	0.6
121.02978	0.7
121.06615	0.9
122.03760	0.2
123.04530	0.3
123.09365	0.3
129.10371	11.4
130.08781	0.6
130.10757	0.3
132.05859	1.6
133.06627	8.6
134.03740	0.4
134.06126	1.5
134.06972	0.5
135.04515	0.4
137.02475	0.4
139.08812	1.8
140.07219	2.5
143.11929	0.9
145.06601	0.8
146.06143	0.3
147.06931	0.5
148.05380	0.2
148.07707	3.0
149.06052	0.2
150.09262	1.7
151.08783	1.2
155.08284	4.8
160.07721	2.5
161.02475	0.4
162.05565	0.3
162.09239	0.6
164.04817	1.0
167.08275	0.7
169.09889	0.7
170.06140	0.4
175.08867	0.3
176.07260	0.2
177.05542	0.4
177.10352	0.7
179.05850	0.2
179.08282	3.7
179.15619	0.3
181.77464	0.2
187.08823	0.5
187.10823	0.7
188.07167	1.6
192.09065	4.4
193.05031	0.5
193.09700	0.4
194.08264	2.2
195.15079	0.2
197.16615	0.7
203.08279	0.4
204.06584	0.4
205.09837	9.0
205.11781	0.5
206.08223	0.7
206.10039	0.4
207.15063	0.8
221.09312	3.8
222.09747	0.2
222.12482	0.7
224.08064	4.1
224.17691	1.0
225.08650	0.3
225.11174	0.2
225.16118	1.1
225.18030	0.3
228.13918	0.2
232.06172	1.2
240.13899	0.3
242.18764	11.2
243.19075	0.9
243.77950	0.2
246.15178	0.4
248.10376	0.3
249.08784	4.9
249.16133	0.3
250.09167	0.4
254.18871	0.3
261.16119	0.5
263.17639	2.9
264.18063	0.3
266.11456	39.4
267.11819	3.5
275.17661	0.5
281.06619	0.3
281.19821	0.9
289.15350	0.3
290.18790	0.3
291.17093	0.3
298.15588	0.4
301.15604	0.7
318.18335	0.5
334.17624	0.8
344.16132	0.5
351.30630	0.2
362.24240	0.3
370.24930	0.8
376.26068	1.8
385.13080	0.3
386.24554	0.5
388.26056	0.7
414.23938	1.8
415.23953	0.5
421.92859	0.3
431.26602	5.1
432.26962	1.1
458.22900	1.4
475.25632	100.0
476.25928	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	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.2
60.99308	12.5
61.63766	0.3
61.98831	1.8
69.61915	1.8
69.62344	1.3
71.01388	2.6
75.00880	0.6
83.01406	0.5
85.02942	0.9
87.00892	1.9
88.00423	1.5
88.98817	100.0
89.02455	23.7
89.02899	0.3
89.99149	1.4
101.02450	1.4
111.00888	0.7
113.02477	1.5
119.03522	0.6
119.05042	0.6
121.02955	1.3
123.04555	0.5
125.02455	0.8
125.06145	0.6
131.03471	0.4
133.02965	1.8
135.04544	1.3
145.02968	0.4
149.02428	0.4
151.00404	0.7
151.04021	0.8
152.03548	0.6
153.05608	0.5
161.02473	5.8
161.04562	0.9
163.02144	0.4
166.02747	0.5
168.03029	0.4
169.01500	0.5
179.03526	0.6
179.05646	0.7
179.07066	0.6
180.04233	1.2
181.05031	1.3
191.07146	0.4
193.05199	0.6
213.07889	0.5
221.04364	0.4
224.09416	0.8
267.07205	0.9
313.07190	0.5
323.07776	0.5
355.08319	1.5
385.09601	1.1
457.16766	0.7
458.83615	0.4
475.13718	5.0
475.26968	0.4
476.15030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46447	0.4
55.01878	0.4
55.26452	0.3
57.03444	1.3
59.01384	39.5
60.01708	0.5
60.41004	0.3
61.65049	0.3
61.98822	1.6
63.74215	0.3
68.99821	0.3
69.03461	0.4
69.70457	1.8
69.70866	0.6
70.02994	0.5
71.01385	4.3
71.05011	0.4
73.02950	1.5
75.00884	0.5
79.01935	0.4
81.03481	0.8
83.01397	1.9
85.02969	2.0
86.02480	0.4
87.00882	0.7
89.02464	2.6
89.86127	0.3
93.03467	2.9
95.01407	0.8
95.05014	0.3
97.02970	0.8
99.00937	0.8
99.04539	1.1
101.02450	3.0
105.03474	0.3
107.01418	2.2
107.05069	0.5
109.02968	0.6
111.00924	0.6
111.04528	0.6
113.02454	2.4
117.03501	0.9
117.05612	1.2
119.03616	0.5
119.05054	8.4
121.02986	1.5
123.00891	0.7
123.04538	1.0
124.04166	0.4
125.02490	2.4
125.06078	0.8
128.03575	0.4
133.03032	1.1
135.04552	1.8
136.01740	0.4
137.02466	3.9
138.02846	0.4
139.00418	0.6
139.04018	2.0
143.05016	1.0
145.03004	2.7
146.03770	30.2
146.08238	2.2
147.04245	1.6
149.02533	1.8
149.06102	0.5
150.03235	0.5
151.00426	0.4
151.04028	1.2
153.01979	1.0
154.02740	0.8
159.03111	0.4
159.04411	0.4
161.02534	2.3
161.04617	2.2
161.06117	10.5
162.03308	0.3
162.06410	0.9
163.00436	0.5
163.04037	1.9
164.04832	23.1
165.01997	1.2
165.05251	1.7
167.03534	3.0
168.04242	0.4
169.05074	1.1
175.04100	0.4
175.06377	0.3
177.01973	1.1
177.05574	1.2
178.02617	0.4
179.07169	100.0
180.04318	0.6
180.07516	6.8
181.05002	0.3
183.90964	0.3
187.04045	2.0
191.03569	1.1
192.00710	0.5
192.60982	0.4
193.01436	2.3
195.06650	0.5
197.04541	0.5
199.07622	0.6
203.81847	0.3
205.01427	1.3
205.05031	0.5
207.03043	0.9
209.04607	1.5
217.11955	0.6
219.03001	0.7
227.07129	0.9
235.02451	3.5
249.04134	0.6
261.04047	0.3
265.03549	1.1
265.08710	0.5
269.08456	0.4
271.06125	0.5
277.12222	1.7
311.09421	0.5
313.07080	3.1
325.07275	1.0
326.07581	0.4
334.35989	0.4
355.08252	23.7
356.08698	2.9
367.08224	0.5
378.09781	0.4
385.09317	17.4
386.09680	2.2
397.09009	0.4
415.10907	0.6
415.16049	1.2
415.20599	0.6
416.16116	0.5
457.11401	1.4
470.78616	0.4
475.12210	6.5
475.18768	0.4
475.27322	0.9
476.12585	0.9
476.18655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01532	0.5
57.03450	82.7
58.03792	1.8
59.01385	5.9
63.13127	0.5
67.01903	0.7
70.63888	0.5
70.86635	1.2
70.86977	0.7
71.01384	5.4
72.99306	0.7
73.02959	2.5
76.95934	0.5
81.03491	1.2
83.01388	1.4
85.02959	3.5
89.02439	1.0
90.98622	1.2
93.03412	0.6
95.01391	0.5
97.02970	1.0
99.00907	1.2
99.04533	28.6
100.04884	1.1
101.02460	20.6
110.00143	2.0
110.67121	0.6
111.00901	6.2
113.02451	4.9
115.00386	1.4
119.05062	2.3
121.03027	0.6
123.04572	0.8
124.01667	0.8
125.02467	19.1
133.01451	2.4
133.02974	0.9
135.04585	1.2
137.02483	1.5
137.99570	2.7
139.00397	47.3
140.00891	2.3
143.03520	1.0
145.02992	0.9
150.03204	0.7
151.04059	0.9
152.01114	3.1
153.01961	60.6
154.02742	67.9
155.03134	3.5
161.02516	3.1
161.04610	4.9
166.02751	0.9
167.03519	8.6
168.04303	37.2
169.05083	100.0
170.05392	4.1
173.00949	0.7
174.01683	1.1
175.02504	1.6
177.01910	0.9
179.03539	1.7
179.07298	0.7
191.03517	1.2
195.06512	0.7
205.01485	0.6
209.04567	1.9
211.06180	1.1
223.02477	0.6
235.02475	0.7
243.08798	1.1
281.06747	1.1
299.07843	1.0
313.09323	2.4
331.10349	34.0
332.10724	3.7
337.68518	0.7
355.08344	5.1
356.08621	0.8
373.11407	24.3
374.11758	2.2
385.09357	4.0
386.09680	0.7
413.14655	4.9
414.14835	1.0
457.11288	0.8
475.14700	12.0
475.25735	0.9
476.14813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
61.98844	1.1
64.12949	0.2
71.01388	0.2
71.05026	0.2
71.70839	0.3
74.56258	0.2
78.85311	0.2
78.95912	12.8
83.05020	0.2
84.09014	0.2
95.04987	0.2
96.96991	0.4
101.06119	0.2
101.71915	0.2
122.00124	0.3
125.06114	0.3
127.07688	0.2
134.04764	0.2
140.01221	2.7
152.99617	1.6
171.00630	1.5
196.03827	1.2
205.19652	0.2
214.04881	3.0
231.28848	0.2
233.22765	0.4
259.20660	0.5
265.14261	0.2
267.38028	0.2
275.20297	0.5
277.21722	100.0
278.22067	12.0
457.25906	1.0
473.32593	0.4
474.26230	15.3
474.33099	4.3
475.25879	2.9
475.32593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76164	0.4
57.05984	0.3
59.01368	1.3
60.93877	0.3
61.98819	1.0
70.14944	0.9
70.15337	0.8
73.50816	0.3
78.95913	100.0
84.80971	0.3
85.34865	0.3
96.96980	6.9
103.58824	0.4
113.34464	0.4
122.00131	0.8
140.01215	4.6
152.88274	0.5
152.99612	17.2
153.99933	0.4
171.00670	17.9
196.03818	9.3
214.04845	2.3
228.07961	0.4
259.20654	0.5
277.21732	65.7
278.22086	7.9
382.21304	0.5
400.22647	1.7
411.32526	0.4
448.03519	0.3
474.26282	73.1
475.26599	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	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
60.99291	0.7
67.41932	0.5
68.40969	0.6
69.51781	1.8
69.52202	3.3
71.01385	14.3
71.01762	1.1
72.99307	6.5
83.24438	0.6
87.00916	0.9
89.02457	3.9
90.10307	0.5
101.02471	0.8
115.00387	37.0
116.00735	1.6
130.26711	0.6
131.04599	1.0
132.03035	0.9
132.94687	1.9
133.01451	100.0
133.05107	2.1
134.01794	3.2
169.70888	0.7
222.01704	1.0
308.63644	0.6
341.10956	1.8
377.08658	1.1
475.10944	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01381	6.1
65.13622	0.3
71.01003	0.2
71.01387	3.9
71.70762	0.5
83.01368	0.2
85.02964	0.9
89.02460	4.1
98.84926	0.2
101.02454	2.7
105.03461	0.4
107.33379	0.3
113.02468	1.3
115.01867	0.3
115.78167	0.2
117.03522	1.1
119.03519	1.4
121.02923	0.2
123.04523	0.4
131.19438	0.2
132.02173	1.1
133.02980	28.0
134.03197	1.1
135.04546	13.7
136.04854	0.6
137.02489	0.4
139.00468	0.3
149.06100	0.6
151.06128	2.0
153.01936	0.7
154.02722	0.7
160.55968	0.3
161.02467	100.0
162.02797	6.2
163.04063	0.3
168.04221	0.3
169.05090	0.9
177.05653	1.2
178.48978	0.2
179.03511	12.5
180.03882	0.7
221.04573	1.8
244.40996	0.3
251.05627	1.0
270.92319	0.2
281.06668	1.7
297.76703	0.3
313.11307	0.3
323.07678	0.3
330.78442	0.2
341.08780	0.7
355.08276	0.4
385.09290	0.3
409.53458	0.2
475.14578	77.9
476.14938	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	474.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.92908	0.7
57.03449	8.3
58.00590	1.3
59.01381	9.1
60.36551	0.7
61.98832	100.0
68.99828	1.2
69.84841	3.1
69.85242	0.8
71.01386	10.0
72.01775	0.7
72.99307	2.6
73.02961	3.5
75.00887	1.0
76.65743	0.6
83.01401	2.0
85.02962	4.7
87.00887	1.7
89.02468	6.1
93.03482	0.7
95.05051	0.7
95.75242	0.6
96.96037	2.3
98.02508	1.2
99.00914	2.7
99.04556	2.8
101.02458	7.1
101.06120	0.9
109.02992	1.3
111.00901	3.7
112.98823	7.5
113.02475	3.3
115.00405	2.1
115.04005	0.8
117.03465	0.8
119.03598	1.0
119.05025	4.4
125.02457	3.7
125.06095	4.6
127.07700	1.9
129.01973	2.7
129.31808	0.6
132.02159	0.7
132.03064	0.9
133.01456	2.5
133.01941	1.0
133.02968	17.4
133.05080	0.9
135.04550	8.9
137.02502	2.4
139.00404	3.0
139.04088	1.8
142.99905	4.4
145.01448	1.4
147.04541	0.9
149.02527	0.9
149.06116	10.1
151.04018	0.9
151.06137	1.3
153.01947	5.9
154.02744	5.8
158.08286	1.6
159.03055	0.9
161.02466	63.6
161.04649	2.1
161.06126	2.0
162.02869	0.8
163.04034	1.0
165.05609	0.9
167.03502	1.9
168.04317	3.4
169.05096	8.0
173.00925	8.5
173.02167	0.8
173.06030	0.6
174.06914	0.7
175.02530	2.7
175.04005	1.0
177.02057	0.7
177.05621	1.3
179.03514	7.7
179.05067	0.8
179.05681	1.0
179.07085	1.1
180.10455	1.0
191.03491	3.6
193.05231	1.0
205.03494	1.5
205.05226	0.9
207.32326	0.6
216.65712	0.7
221.04587	1.3
223.06128	7.7
224.09290	1.6
225.65564	0.6
235.09929	1.6
251.05782	0.9
265.14505	2.4
277.09317	3.7
281.06723	1.3
293.14069	1.9
297.11954	0.9
301.09488	0.7
313.09167	4.7
331.10425	2.5
373.11520	2.6
386.14859	1.4
414.17429	0.8
427.59222	0.7
473.25705	2.2
474.13300	2.7
474.26120	0.9
475.14609	58.9
475.27368	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	474.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74799	0.2
53.34493	0.3
55.17494	0.2
58.00607	0.3
59.01378	28.1
60.01704	0.7
61.98831	100.0
62.98536	0.3
66.31245	0.3
71.01387	5.0
71.71511	0.4
72.99330	0.5
73.02950	0.7
77.97364	0.2
83.01414	0.9
83.05045	0.4
85.02976	1.6
87.00905	0.7
89.02449	3.8
93.03478	0.9
95.01407	0.5
101.02464	2.3
111.00945	0.4
113.02452	2.0
115.00371	0.5
119.03516	1.4
119.05034	0.3
125.02460	0.7
125.06130	1.0
132.97751	0.3
133.03032	0.5
134.03819	0.3
135.04593	0.6
137.02457	1.4
143.03555	0.4
148.05327	22.6
149.05630	1.3
160.01706	0.3
161.02512	0.8
161.04585	1.6
163.07675	30.4
164.07999	1.5
167.03502	0.4
175.02525	0.7
175.04015	0.4
179.05685	0.9
203.05670	0.5
233.15529	0.4
249.11221	0.3
265.14548	0.6
293.14005	0.3
333.88364	0.3
363.18884	0.3
383.09897	0.3
411.20767	0.3
415.23618	1.7
473.26724	0.4
474.23959	0.5
475.26892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.364
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
54.35680	0.2
54.84906	0.3
56.21226	0.2
57.03452	2.2
59.01377	1.0
61.98826	0.5
64.33222	0.3
70.28382	1.0
101.06110	0.5
103.26660	0.3
112.99961	0.2
116.22562	0.2
207.53307	0.3
343.10693	0.3
411.32535	0.8
413.34271	2.0
414.34598	0.6
415.32019	0.5
453.32962	0.3
455.33755	0.8
473.36209	100.0
474.32285	4.7
474.36539	22.7
498.76303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3639
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.03465	0.4
59.01383	0.6
61.98839	1.3
64.83208	0.2
71.71397	0.4
83.05064	0.4
97.06660	0.2
101.06140	0.3
129.22328	0.2
135.08287	0.5
146.40572	0.2
147.10448	0.3
228.12788	0.2
253.11037	0.3
279.86725	0.3
343.26675	0.3
357.77322	0.3
413.30634	2.3
414.31149	0.6
425.34818	0.5
427.35748	1.6
429.33719	4.8
430.34430	1.0
455.31580	1.4
456.32071	0.3
473.36642	100.0
474.37048	20.6
494.70129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3649
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
52.59087	0.2
57.03449	0.5
58.33863	0.1
59.01388	0.5
60.93649	0.1
60.99301	0.1
61.98851	0.2
69.03481	0.2
69.71428	0.3
69.71842	0.7
71.05025	2.3
73.02967	0.3
104.76270	0.1
109.06632	0.2
109.21880	0.1
123.08215	0.1
141.35069	0.1
155.59610	0.1
239.86234	0.1
409.34879	0.8
411.32736	1.1
412.32925	0.2
413.34259	5.4
414.34561	1.1
427.32306	0.2
429.33423	0.3
429.38266	0.2
441.21069	0.1
455.31641	0.2
457.33578	0.2
473.36633	100.0
474.36899	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03452	1.3
59.01384	0.7
61.98825	0.6
69.03461	0.9
71.01385	0.3
72.79438	0.1
85.02979	0.4
101.02428	0.2
103.45238	0.1
110.37285	0.1
113.02479	0.3
138.83707	0.1
161.04567	0.2
219.13785	0.2
230.20874	0.2
267.23627	0.1
357.28159	0.2
369.28073	0.4
427.32056	0.2
429.33862	3.0
430.34137	0.4
473.32779	100.0
474.33148	20.2
474.40384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
56.56286	0.4
57.03451	1.9
57.79408	0.4
59.01383	2.8
61.98840	0.7
70.05001	2.5
71.01400	1.4
79.62412	0.4
89.02466	1.9
98.19931	0.5
101.02464	0.5
113.02396	0.6
160.91008	0.4
219.13803	0.5
293.21255	0.7
411.32828	1.2
413.34286	2.0
427.31317	0.4
429.33719	0.6
455.31790	2.7
456.32169	0.7
473.32431	100.0
473.36810	80.5
474.32861	20.2
474.37216	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	473.2911
Annotation	CHEBI:68039
Peak:m/z	Relative Intensity
53.49716	0.2
57.03449	1.9
59.01376	1.8
61.98825	2.0
64.66268	0.2
67.43493	0.3
71.01373	0.2
71.70184	0.3
74.91315	0.3
101.02454	0.6
175.63025	0.2
188.70934	0.3
259.20587	0.4
311.22250	0.5
339.27066	0.4
341.28467	0.5
351.27545	0.3
367.26477	0.4
402.99030	0.3
427.28522	3.2
428.29153	0.4
429.30136	21.4
430.30463	4.1
473.29089	100.0
474.29459	18.9
474.36389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3271
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.20927	0.1
57.03441	0.8
58.00596	1.1
59.01372	0.5
60.99301	0.1
61.98826	0.5
64.37162	0.1
71.01383	0.5
73.02953	12.5
74.03288	0.3
85.02968	0.9
87.04517	0.2
87.97530	0.1
97.12086	0.1
98.20636	0.4
101.06055	0.2
117.87948	0.1
125.06076	0.2
151.32982	0.1
158.93781	0.1
244.20280	0.1
279.22748	0.1
312.23914	0.1
352.50372	0.1
366.78537	0.1
375.30576	0.3
389.99695	0.1
391.30136	1.0
392.30502	0.3
397.31161	1.2
399.32886	1.5
400.32840	0.2
401.34970	0.2
409.31216	0.2
411.27582	0.2
411.32733	0.7
427.31906	0.3
429.33676	2.3
430.34106	0.5
473.32715	100.0
474.33084	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	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01383	100.0
60.01716	1.2
61.98838	5.9
71.01391	3.3
71.71066	0.3
72.99345	0.3
73.02965	0.9
83.01421	0.5
85.02955	1.6
87.00900	0.4
89.02462	1.8
92.04995	0.2
95.01418	0.6
96.46109	0.2
99.00938	0.3
101.02451	2.8
101.89840	0.2
111.04584	0.3
113.02464	2.5
116.92889	0.4
119.03529	0.7
120.83729	0.2
125.02464	0.3
131.03546	0.3
135.04564	0.4
143.03545	0.4
149.04619	0.3
161.02510	0.6
161.04594	1.1
175.03992	0.3
179.05772	0.3
196.06126	0.3
207.14020	0.3
223.09824	0.5
233.15538	0.4
266.74313	0.2
293.13980	0.4
308.79160	0.3
311.15060	0.3
413.21820	0.6
429.15988	0.3
431.23279	0.3
473.15283	0.4
473.24664	0.9
474.23557	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	473.2909
Annotation	CHEBI:68039
Peak:m/z	Relative Intensity
50.44291	0.4
54.53387	0.3
57.03419	0.4
57.04649	0.4
59.01385	2.2
61.98836	1.8
71.01389	3.3
71.05013	1.0
71.70863	0.5
78.13000	0.3
78.95881	0.4
82.14869	0.4
83.04995	0.3
101.06080	0.7
104.06389	0.4
104.92773	0.4
123.08157	0.7
125.06047	0.6
135.08139	0.5
207.10321	1.9
219.13892	0.8
220.14699	2.5
221.15431	5.2
236.10571	3.9
237.11069	0.5
239.12645	0.6
293.17526	3.9
383.25583	1.4
383.29807	0.6
399.28784	1.1
411.28970	2.8
427.28522	0.9
429.30154	24.7
430.30469	4.4
439.31720	0.6
455.32083	0.9
460.88467	0.4
473.28714	100.0
474.29047	20.5
483.31198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
57.07002	0.3
58.00598	0.4
59.01086	0.6
59.01381	10.3
61.98820	0.9
69.03452	0.6
71.01385	7.2
71.71073	0.6
72.99358	0.5
73.02953	1.5
79.51763	0.3
83.01389	1.1
85.02956	3.0
87.00889	1.2
87.04523	1.4
89.02454	3.8
89.03994	0.4
95.01410	0.7
97.02959	0.5
99.00890	1.1
101.02461	4.3
101.06053	0.4
113.02449	2.7
116.92881	2.3
117.03495	2.8
117.05614	1.4
118.92683	0.8
119.03519	1.2
119.05035	0.5
121.02952	0.5
123.04552	0.6
127.01443	0.4
131.03468	0.4
132.02199	16.3
133.03021	2.0
134.03758	35.2
135.04004	2.0
135.06673	2.7
137.02448	0.6
141.85159	0.3
147.04550	0.7
149.02460	0.4
149.06096	5.0
160.01677	80.9
161.02063	4.7
162.05612	2.2
165.05594	0.5
167.07176	0.4
175.04022	94.6
176.04388	6.5
177.05350	0.3
178.02696	0.9
179.03519	1.3
183.91251	0.5
191.07126	1.9
193.05072	41.5
194.05426	2.7
197.71423	0.3
207.06577	0.9
217.05090	0.5
220.03474	0.3
235.06104	5.4
265.07047	1.1
267.07224	1.0
270.11337	2.2
281.10474	0.3
295.08228	1.0
297.08316	0.6
297.11694	0.6
301.45670	0.4
337.09351	0.9
339.20309	0.4
473.16678	100.0
474.17041	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	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72675	0.8
55.01880	0.8
57.03453	3.0
58.00615	1.1
59.01382	100.0
59.98521	0.8
60.01727	1.7
61.98836	18.1
67.01907	1.5
68.99830	2.2
69.03468	1.8
71.00987	1.5
71.01389	30.8
71.71479	1.3
72.99322	7.3
73.02951	7.1
75.00882	17.9
75.01289	1.3
78.60564	0.7
81.03456	0.8
83.01376	3.2
83.05032	1.3
85.02960	26.1
86.03290	1.5
87.00893	7.3
87.04520	1.3
88.98849	0.8
89.02460	12.3
91.04000	0.8
93.03498	2.1
95.01395	6.4
96.96014	0.9
97.03015	1.1
99.00903	12.1
99.01517	0.9
99.04545	1.1
101.02451	9.7
103.00419	2.0
106.06598	4.0
107.05053	0.8
107.06997	2.0
109.03004	0.8
111.00925	3.0
111.04571	0.8
113.02467	29.9
113.03237	1.5
114.02808	0.7
115.00414	2.4
117.01993	2.6
117.03496	1.0
119.03552	2.5
119.05042	1.3
120.08276	0.7
121.02988	1.5
123.04566	1.1
124.05330	1.2
125.02516	1.7
125.06118	0.8
129.01933	3.2
131.03596	1.5
133.02969	1.5
133.05080	1.4
133.10306	1.9
134.03828	0.7
135.04561	1.3
135.11839	6.8
137.02505	1.4
143.03580	0.9
145.03044	1.5
146.03822	0.8
147.04605	1.0
147.45518	0.7
149.02528	1.2
149.04630	1.1
149.06107	1.0
150.03271	1.1
150.05624	1.6
151.06094	1.0
151.75206	0.8
153.01918	0.8
154.99768	0.7
157.01492	1.4
161.02487	2.7
161.04579	4.3
161.09790	1.7
163.04062	1.6
165.05670	1.4
175.02553	3.1
175.03947	1.1
175.83980	0.7
178.15506	0.8
179.03571	1.2
179.05722	1.5
179.10800	25.0
180.11201	2.3
194.04587	1.3
195.04980	1.5
205.03508	0.9
211.04025	0.7
223.04700	3.8
223.07788	1.2
223.09735	6.3
231.05197	2.5
249.06158	35.3
250.06654	1.9
251.16582	0.9
267.07184	18.1
268.07620	1.0
284.64694	0.7
311.14908	1.2
389.14084	1.9
392.69742	0.7
411.16980	2.8
413.22128	3.0
429.17657	58.8
430.18048	6.3
431.22986	1.5
455.17477	0.7
473.16931	63.0
473.24194	14.4
474.17264	9.3
474.24619	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.1
61.18665	0.4
61.98828	0.7
69.90748	3.2
71.01385	6.2
73.02959	0.9
83.01379	0.7
85.02960	3.1
87.00861	0.9
87.67898	0.5
89.02458	4.6
91.83250	0.5
92.90257	0.4
99.00904	0.8
101.02480	3.7
109.86826	0.5
113.02473	2.0
114.81309	0.4
116.91485	0.5
117.03494	2.0
119.03524	1.9
125.02438	0.8
132.01208	0.8
132.02203	15.4
133.02934	1.6
134.03763	34.3
135.04135	1.4
135.06636	3.9
137.02495	1.5
138.01945	0.7
149.02481	1.0
149.06125	4.6
160.01683	82.6
161.02022	4.7
162.03178	0.6
175.04028	93.7
176.04413	7.1
177.01988	0.9
177.05539	0.5
178.02744	1.2
179.03479	1.0
190.02788	1.5
191.07199	3.4
193.05080	45.6
194.05420	3.0
195.06610	0.7
205.05051	1.8
207.06656	1.0
223.06116	1.2
235.06149	8.1
236.06427	0.8
265.07190	1.2
267.07211	0.8
284.07095	0.6
295.08255	1.9
297.83176	0.5
337.09235	0.9
383.10352	0.6
473.16666	100.0
474.17035	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	473.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12358	0.6
51.86592	0.5
57.03465	1.4
58.00582	1.3
59.01380	56.5
60.01735	0.6
61.98831	24.5
66.03497	0.6
69.52858	2.2
69.53294	2.6
71.01387	17.9
72.99331	2.2
73.02950	2.5
75.00872	0.8
83.01408	2.2
83.05010	0.9
84.04557	0.5
85.02958	6.5
87.00909	2.0
88.98837	0.7
89.02456	12.9
89.02985	0.7
94.02998	8.6
94.03522	0.8
95.01435	1.8
95.05060	0.7
96.96008	0.8
97.02972	0.8
98.19832	0.5
99.00893	1.4
99.04549	0.6
101.02454	11.4
111.00905	0.8
111.04537	1.1
113.02471	8.0
116.05084	1.0
119.03537	4.4
119.05054	1.1
125.02493	1.3
129.05899	0.5
130.06648	1.8
131.03575	1.1
133.03006	1.2
135.04549	1.1
137.02429	0.6
140.03560	1.0
142.06639	12.1
143.03545	0.8
143.07053	0.8
149.04523	0.6
153.05864	1.1
154.06657	0.8
155.07414	6.0
156.06953	1.7
156.08199	1.4
157.05432	0.6
159.03004	0.8
160.01578	0.7
161.02499	1.1
161.04643	2.2
166.06673	2.8
167.03505	0.8
167.06216	2.4
168.08253	4.3
169.07727	22.4
170.06110	1.3
170.08087	1.3
173.31714	0.5
175.03976	0.8
179.03493	0.6
179.05638	2.1
179.07198	0.7
179.93628	0.5
180.06856	1.1
180.08257	1.3
181.07623	0.7
182.08517	2.1
183.09270	1.1
186.05550	1.3
187.06398	1.8
187.11243	0.9
193.07697	0.9
194.06046	2.9
194.09778	1.4
195.09267	3.2
196.11363	1.6
207.13889	1.2
208.10043	0.9
219.09390	0.6
221.10825	3.1
223.12408	63.7
224.12744	6.8
249.10300	12.4
250.10567	1.1
263.11871	0.8
267.11380	100.0
268.11694	10.1
281.06760	0.7
281.13062	2.1
309.12460	14.7
310.12814	1.8
311.10388	24.6
312.10800	2.9
321.15704	0.9
353.15063	0.8
401.23639	1.8
413.21716	2.0
473.15573	73.3
474.16037	14.2
474.26541	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11718	0.2
61.62075	0.2
68.73969	0.2
70.86173	0.4
84.89006	0.2
85.55582	0.2
89.75116	0.2
125.65891	0.2
157.91667	0.2
175.88846	0.2
197.97461	0.2
224.43997	0.2
349.20020	0.2
397.31158	0.3
412.59476	0.2
423.32748	1.0
424.32922	0.3
425.34213	0.3
427.35995	0.5
471.34836	100.0
472.35178	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11718	0.2
61.62075	0.2
68.73969	0.2
70.86173	0.4
84.89006	0.2
85.55582	0.2
89.75116	0.2
125.65891	0.2
157.91667	0.2
175.88846	0.2
197.97461	0.2
224.43997	0.2
349.20020	0.2
397.31158	0.3
412.59476	0.2
423.32748	1.0
424.32922	0.3
425.34213	0.3
427.35995	0.5
471.34836	100.0
472.35178	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46896	0.3
70.29229	0.2
71.19772	0.7
111.94654	0.2
118.67610	0.2
120.52843	0.3
146.49124	0.3
198.90071	0.3
262.27734	0.2
322.92371	0.3
407.33246	2.7
408.33548	0.4
453.33502	0.4
471.34705	100.0
472.35159	19.0
472.42145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03436	2.4
58.00590	2.3
59.01382	55.8
61.98830	8.0
69.03450	1.9
69.48330	8.4
71.01387	37.4
72.99309	2.9
73.02952	10.9
75.00878	30.7
76.81051	0.8
78.95924	0.9
81.03491	1.2
83.01403	6.0
85.02959	15.5
87.00876	6.8
88.98811	1.0
89.02453	21.6
90.24676	0.9
95.01390	2.9
96.96006	3.1
96.96936	0.9
97.02959	2.8
99.00903	7.0
101.02457	30.6
107.05035	1.3
109.02969	1.5
111.00887	2.4
113.02463	18.6
116.92913	5.3
117.01949	2.4
117.03488	2.9
119.03521	8.2
119.05064	1.8
121.02953	1.2
123.04530	1.8
125.02483	5.2
128.03514	1.4
131.03500	2.0
132.02206	5.1
133.01993	1.3
133.02962	8.3
134.03761	37.5
135.03027	1.8
135.04601	5.5
136.01663	1.2
137.02464	2.1
143.03506	3.2
145.02985	4.3
147.04544	5.4
148.05267	3.6
149.02501	2.1
149.06105	10.5
151.04002	0.9
152.99619	1.9
153.05583	1.1
158.03723	2.5
159.03017	1.4
160.01675	29.9
161.02481	17.8
161.04552	7.9
162.03000	1.6
162.54604	0.8
163.04004	3.6
163.07660	1.5
164.04857	1.3
165.05577	2.1
173.06088	1.2
174.03166	1.5
175.04019	40.0
176.04791	15.6
177.01933	3.5
177.05421	2.5
178.02632	2.6
179.03491	3.7
179.05652	1.4
179.07140	2.1
180.04227	1.0
187.07640	1.2
190.02798	1.1
191.07159	24.0
192.04301	2.7
192.07510	1.8
193.05070	46.9
194.05423	2.4
195.06601	1.9
201.11324	2.7
205.08696	0.9
207.06651	9.0
209.11812	3.0
211.06233	4.8
217.35760	0.8
220.03726	3.1
221.04335	0.9
222.07642	1.0
223.06085	1.8
235.06122	44.5
236.06470	3.8
249.11217	2.3
251.05461	1.1
265.07159	8.4
267.07126	1.0
267.12344	0.9
269.10248	9.4
270.10529	1.1
295.08276	7.8
297.08292	58.1
298.08704	3.8
304.77136	0.9
311.11255	2.3
355.10342	1.3
383.09747	3.6
395.13434	1.1
397.11316	3.8
413.14542	4.9
431.15604	25.2
432.15817	3.0
437.20041	1.3
455.15546	1.1
473.12393	100.0
474.12726	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01376	0.4
60.99315	2.2
61.98830	0.5
69.03458	0.3
70.91296	0.7
72.99314	0.8
97.06598	0.5
111.18018	0.2
156.26176	0.3
156.32426	0.3
209.77394	0.3
217.65439	0.3
238.95955	0.3
241.52457	0.3
313.37347	0.3
317.97070	0.3
351.26868	2.8
352.27576	0.3
353.28525	5.1
354.28735	0.7
369.28021	0.6
383.29651	0.5
405.31638	0.4
407.28351	0.5
407.33246	5.4
408.33667	1.6
423.32834	0.7
424.32422	0.3
425.30566	1.0
425.35410	0.4
427.32169	0.9
428.32321	0.3
453.33752	2.2
454.34604	0.5
471.30743	28.6
471.34689	100.0
472.30756	6.2
472.35120	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	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
51.06365	0.2
59.01368	0.2
70.86198	0.2
70.86524	0.5
84.15668	0.2
106.81873	0.2
108.69129	0.2
114.38722	0.2
125.98119	0.2
155.98538	0.2
163.98972	0.2
427.35867	0.7
471.34775	100.0
472.35126	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
70.48363	0.6
70.68775	0.2
95.51399	0.2
142.15155	0.2
194.73213	0.2
206.31557	0.2
212.74860	0.2
238.70772	0.2
250.01538	0.2
280.82309	0.2
349.90262	0.2
355.26379	0.3
373.56775	0.2
380.60672	0.2
404.49219	0.2
471.34799	100.0
472.35159	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	3beta,22beta-Dihydroxyolean-12-en-29-oic acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01376	2.3
60.99312	20.1
61.98825	3.1
66.96017	0.7
69.03461	16.2
71.05042	3.6
71.18783	1.3
76.98804	1.4
80.02695	1.9
83.05063	0.7
91.77404	0.7
97.06604	6.6
103.29986	0.6
134.09155	0.7
137.09799	1.8
149.09735	2.4
176.76808	0.6
375.26959	2.5
377.28607	3.0
379.30402	0.9
389.28616	0.9
391.30090	15.7
392.30588	2.0
393.31729	3.0
395.29700	1.1
397.31055	2.3
399.29034	0.9
405.31805	1.3
407.33224	100.0
408.33557	21.8
409.35104	11.5
410.35028	2.0
411.33109	1.0
414.02917	0.7
421.31439	1.1
423.33405	5.5
427.36646	7.2
428.36237	1.2
435.28888	1.3
437.30597	4.4
439.32217	4.8
440.32230	0.8
441.34109	6.5
442.34042	1.1
451.32123	4.0
452.32803	0.8
453.33893	27.7
454.34048	6.3
469.33224	2.2
471.30865	65.3
471.35254	46.3
472.29947	12.2
472.35565	10.9
483.30991	1.0
485.32593	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	471.3479
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.03453	2.6
59.01379	0.8
59.21910	0.6
60.99315	0.8
61.98824	1.4
70.80700	0.6
71.04384	1.6
71.05039	1.0
73.02952	2.4
109.06654	0.7
139.04048	0.8
158.84277	0.5
276.98099	0.5
359.21826	0.5
385.28558	4.9
397.31177	7.1
398.31631	1.4
409.31436	2.5
423.29034	1.5
427.32114	1.8
439.32129	5.0
451.32263	0.8
453.33710	1.4
469.33383	6.4
470.33527	0.7
471.30460	72.4
471.35056	100.0
472.30707	14.7
472.35349	23.1
483.31168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05025	0.3
71.21087	0.3
151.47090	0.1
161.56345	0.1
185.05406	0.1
209.46350	0.1
238.63927	0.2
393.27975	0.5
409.31174	1.1
410.31723	0.2
427.32318	0.3
453.30029	0.1
471.34842	100.0
472.35220	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.312
Annotation	Comnostin D
Peak:m/z	Relative Intensity
57.03460	0.7
59.01389	0.5
60.99313	1.9
69.03444	0.6
72.05714	0.3
72.99331	2.1
74.48215	0.3
97.06595	0.8
128.51944	0.3
131.12473	0.3
137.09731	0.3
351.26837	4.1
352.27426	0.8
353.28513	6.5
354.28616	0.8
369.27893	0.7
377.28308	0.3
383.29486	0.5
391.30280	0.6
405.31528	0.6
407.33252	8.1
408.33527	1.7
423.32562	1.0
425.29861	2.6
426.30719	0.5
427.32016	2.6
428.32175	0.5
451.32132	1.2
453.33774	6.5
454.34030	1.4
470.33813	0.4
471.30765	89.6
471.35098	100.0
472.31107	18.7
472.35489	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52782	0.2
65.20110	0.2
69.36787	1.4
69.37216	0.8
71.05029	0.3
77.30703	0.2
87.42462	0.2
88.43162	0.2
90.50751	0.2
92.02555	0.2
95.32039	0.2
96.79776	0.2
97.06607	0.6
101.31557	0.2
291.98523	0.2
391.30096	0.9
405.31607	0.8
407.33194	2.1
408.33575	0.3
441.33554	0.5
451.32108	2.1
452.32501	0.6
453.33752	9.8
454.34061	2.0
471.34796	100.0
472.35153	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95971	0.2
71.53149	0.4
79.39204	0.2
173.95200	0.2
216.83232	0.2
303.64038	0.2
471.34802	100.0
472.35165	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37758	0.2
71.48115	0.3
76.55301	0.2
85.81316	0.2
87.90813	0.2
90.53066	0.2
105.32114	0.2
106.63844	0.2
154.14925	0.2
154.39432	0.2
269.72235	0.2
453.46899	0.2
471.34818	100.0
472.35150	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23327	0.1
70.57926	0.4
70.58323	0.4
84.19526	0.2
97.06629	0.2
98.20524	0.2
144.41093	0.1
160.30151	0.1
235.32922	0.2
339.26993	0.5
407.33203	3.6
408.33505	0.7
425.34064	0.2
439.32434	0.2
471.34802	100.0
472.35138	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	471.3115
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
56.37177	0.8
58.00587	2.6
58.39566	0.7
59.01389	4.5
59.01633	0.7
59.88613	0.7
61.98840	3.8
68.10159	0.7
70.78517	2.6
71.01368	0.8
71.05030	2.4
73.02942	1.0
97.06581	1.1
123.08189	1.8
165.09213	1.1
177.83134	0.8
203.34520	0.8
210.06111	0.8
229.08356	0.8
242.06087	0.7
287.20212	3.0
303.09650	0.9
303.19641	0.9
363.30637	1.3
407.29675	2.6
409.31271	11.3
410.31622	2.1
411.28998	1.1
423.28848	14.6
424.29257	2.8
425.30820	1.1
427.32089	2.3
435.28497	1.2
437.30692	2.1
439.32166	32.3
439.38208	1.7
440.32465	5.4
451.32208	7.6
452.32895	0.9
453.29834	13.2
453.34323	8.7
454.30423	3.3
469.33194	38.1
470.33618	8.8
471.30780	100.0
471.35229	81.0
472.31177	18.7
472.35620	14.4
483.31448	3.9
484.30734	1.0
489.35757	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	471.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01374	0.1
59.45829	0.1
60.77469	0.1
61.98817	0.2
66.96762	0.1
69.03458	0.5
69.64124	1.2
76.63026	0.1
87.22649	0.1
96.56770	0.1
97.06602	0.2
98.19903	0.3
106.48203	0.1
210.55385	0.2
280.86957	0.1
327.26709	0.3
339.27011	0.8
351.27075	0.2
369.27634	0.2
381.27698	0.3
381.31821	0.2
397.31161	0.4
409.31207	0.5
427.32202	2.7
428.32401	0.4
439.32251	0.2
441.30298	0.3
469.33087	0.3
471.31125	100.0
472.31479	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	471.3117
Annotation	Comnostin D
Peak:m/z	Relative Intensity
56.03035	0.2
57.03452	1.4
63.52152	0.2
69.03458	0.5
69.53841	1.7
69.54143	0.3
69.98550	0.2
73.02950	0.7
94.53088	0.2
97.06586	0.4
136.71594	0.2
161.49962	0.2
339.26959	0.9
397.31210	0.2
409.31161	0.3
427.32410	2.7
428.32962	0.3
469.33368	0.3
471.31180	100.0
472.31549	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76265	0.2
56.31769	0.2
59.62001	0.2
70.87511	0.5
70.87857	0.4
74.82748	0.2
81.52654	0.2
140.14619	0.2
172.37354	0.2
240.49689	0.2
244.65585	0.2
260.41702	0.2
327.86823	0.2
469.33234	100.0
470.33563	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	469.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28753	0.2
54.96988	0.2
59.40256	0.2
62.62381	0.2
65.06837	0.2
69.87161	0.2
70.72839	0.4
70.73207	0.4
75.34422	0.2
75.45612	0.2
85.30662	0.2
97.06629	0.3
103.52505	0.2
111.14856	0.2
132.46498	0.2
147.09578	0.2
154.74202	0.2
219.13866	0.6
226.76007	0.2
233.15450	0.7
244.95262	0.2
328.58252	0.2
339.23267	1.6
340.23502	0.3
347.59494	0.2
353.24786	0.3
354.25583	2.3
355.26071	0.4
386.24637	0.7
451.32129	1.3
452.32425	0.4
469.33234	100.0
470.33603	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81404	0.2
56.44481	0.2
69.41974	1.1
69.42413	1.2
87.27003	0.2
87.90981	0.2
89.03553	0.2
90.19811	0.2
92.77791	0.2
94.41932	0.2
122.36324	0.2
150.73984	0.2
417.52060	0.3
469.33240	100.0
470.33585	17.8
470.43506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
56.99623	0.1
64.45793	0.1
69.58031	1.4
69.58362	0.2
87.46667	0.1
98.20595	0.2
224.43529	0.2
304.73004	0.2
373.00018	0.2
469.33215	100.0
470.33554	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19263	0.2
64.95997	0.2
71.48700	0.3
71.49036	0.2
72.03487	0.2
83.21590	0.2
107.47780	0.2
183.32739	0.2
236.78938	0.2
248.10687	0.2
292.14667	0.2
340.41476	0.2
383.96912	0.2
451.32004	0.2
469.33228	100.0
470.33566	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	471.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11001	0.5
57.03443	0.5
58.00583	0.7
59.01383	100.0
60.01713	1.3
61.98833	10.6
71.01390	10.8
71.01759	0.8
72.99330	1.9
73.02960	1.5
83.01408	1.8
85.02963	2.2
87.00865	0.6
89.02461	9.3
95.01424	1.0
96.96025	0.6
99.00890	0.6
101.02464	8.9
111.00913	0.7
113.02480	6.0
119.03517	3.7
131.03552	0.6
155.06577	0.4
161.04581	1.2
227.47812	0.7
230.72774	0.6
291.19669	7.5
292.20026	0.6
453.25027	0.9
471.26120	44.3
471.34689	3.8
472.26501	8.7
472.34039	0.8
472.35263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38884	0.4
61.98852	0.4
67.71659	0.4
70.52809	0.8
70.53207	0.7
83.05070	0.5
97.06618	0.5
104.01843	0.3
120.92359	0.3
140.63568	0.3
155.65681	0.4
339.23309	1.0
354.25586	1.0
361.25189	1.0
361.29175	0.5
379.30286	0.8
386.24423	0.6
389.28561	0.8
407.29309	0.5
423.29077	4.7
424.29285	1.0
425.30652	16.8
426.30960	3.5
451.32724	1.8
469.29651	100.0
469.34024	25.8
470.28906	22.2
470.34424	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.3
63.40678	0.2
63.54031	0.2
69.03459	0.4
71.19685	0.4
71.20039	0.4
83.05035	1.1
84.35690	0.2
87.13088	0.2
111.97348	0.2
142.64143	0.2
182.50972	0.3
199.42081	0.2
305.09711	0.2
365.28528	0.2
389.28500	0.4
391.30078	0.3
397.31018	0.3
405.31747	1.1
407.33334	0.9
408.33762	0.2
409.31219	0.3
421.31354	1.2
423.32764	4.8
424.32971	1.0
425.34277	17.5
426.34647	3.8
444.04294	0.2
455.94482	0.2
469.33252	100.0
470.33597	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43341	0.2
62.84133	0.2
64.29301	0.3
71.48166	0.6
82.29056	0.2
97.06590	0.4
106.77503	0.2
205.43423	0.3
320.31870	0.3
339.23425	0.7
353.25058	0.5
354.25800	1.2
367.26462	0.7
381.27902	0.8
386.24792	0.4
409.07437	0.3
451.32190	6.7
452.32687	1.6
469.33261	100.0
470.33588	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42654	0.2
69.57312	1.4
69.57735	0.7
71.55875	0.2
72.56236	0.2
77.44745	0.2
98.20696	0.4
116.36987	0.3
219.13983	0.5
233.15529	0.7
274.32700	0.3
339.23279	1.5
340.24133	0.3
354.25598	2.6
355.25940	0.5
386.24747	1.2
425.30823	1.0
426.30942	0.3
451.32373	1.0
452.33182	0.5
469.33377	100.0
470.33679	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	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.98503	0.2
55.02805	0.2
58.58374	0.2
69.44350	2.0
69.44772	0.4
70.43558	0.2
76.62994	0.2
112.85401	0.2
161.37489	0.3
469.33243	100.0
470.33591	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	469.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	71.1
62.57011	2.4
62.91970	2.2
66.16863	2.5
71.01376	9.9
71.05015	2.4
71.72019	4.3
71.72414	4.7
72.99324	6.3
85.06601	8.0
89.02477	3.5
101.02457	3.5
106.42225	2.9
109.02966	3.0
110.03246	2.6
111.00909	4.7
113.06116	12.4
119.05031	6.3
125.02441	3.0
131.06212	4.0
131.07166	60.4
132.07600	3.8
135.04579	2.7
147.04543	100.0
148.04869	7.5
148.20854	2.7
152.01196	3.5
161.02448	11.2
165.05591	84.9
166.05963	4.9
167.03528	2.8
173.08223	32.6
174.08487	2.8
175.07561	3.6
187.03943	4.5
187.07668	10.0
202.06317	9.2
207.06635	61.6
208.07014	4.2
215.07133	6.8
231.10289	4.3
257.08289	3.9
263.12912	3.6
307.11826	10.2
322.18768	2.5
379.13873	3.6
409.09720	2.7
409.14996	7.7
469.17035	10.1
469.33139	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	469.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63692	0.3
57.03449	59.5
58.03771	0.9
59.01380	12.7
61.98833	24.4
63.99249	0.5
64.07510	0.4
65.03013	0.3
71.01389	6.4
71.71684	0.5
72.99322	0.6
73.02957	1.5
75.00909	0.3
81.03463	1.1
83.01406	1.3
85.01808	0.3
85.02959	3.6
87.00871	0.5
89.02467	0.8
93.03493	0.4
95.01431	0.8
98.65859	0.4
99.00889	1.2
99.04532	43.0
100.04878	1.2
101.02458	12.9
102.02838	0.4
111.00908	3.2
111.08131	0.3
112.01251	0.4
113.02473	2.6
115.00384	0.4
121.03007	1.0
122.03790	0.4
123.04558	1.3
125.02467	16.9
126.02793	0.6
133.03027	0.7
133.53931	0.3
135.04530	0.5
143.03554	0.9
147.04544	1.0
148.05325	100.0
149.05676	6.2
151.08763	2.3
153.40794	0.4
161.02461	0.9
161.04568	4.8
163.07668	95.8
164.07977	5.8
166.71086	0.4
167.03499	2.2
173.00899	0.4
177.95279	0.3
191.03516	0.9
191.05524	0.4
203.05684	0.5
205.12415	0.3
209.04710	0.4
221.58421	0.3
243.08698	0.5
264.17023	0.7
275.09271	0.4
294.63120	0.4
306.21393	0.3
308.16119	1.4
325.12814	0.6
397.20917	0.4
469.16537	1.8
469.33295	1.3
470.17291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79792	0.2
53.23909	0.2
61.98822	0.4
63.16417	0.2
63.96069	0.2
64.50725	0.2
70.58582	0.9
71.01395	1.2
81.55576	0.2
83.05009	0.3
85.02929	0.3
87.29860	0.2
87.83598	0.2
226.36400	0.2
361.25040	0.4
361.28937	0.5
389.28137	0.9
395.29630	1.2
407.29105	0.8
423.29068	2.8
424.29099	0.5
425.30615	6.3
426.31046	1.4
469.29135	100.0
470.29489	20.2
470.43344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
60.01713	0.4
61.01802	0.4
61.98831	100.0
62.98537	0.4
67.06647	0.1
69.36819	1.6
71.01396	0.5
89.02464	0.2
90.74232	0.1
98.19905	0.3
101.02473	0.2
101.06080	0.1
109.02962	0.1
114.69282	0.1
119.05085	0.2
132.04619	0.1
133.02957	0.4
135.04504	0.2
137.02435	0.3
147.06673	0.3
148.06996	0.2
161.02441	1.5
163.04054	0.3
165.01947	2.7
167.03563	0.2
175.11429	0.2
179.03551	0.6
180.04309	2.0
195.06631	4.0
210.05432	0.2
220.06210	0.3
225.07686	1.5
240.01231	0.2
267.25607	0.1
361.12888	0.2
421.14908	0.7
468.15097	0.7
469.17517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09995	3.2
53.14275	2.9
54.77156	2.8
57.03460	4.6
59.01381	80.0
61.98833	6.8
71.01399	13.3
71.71053	5.9
72.99298	9.0
73.02955	3.1
83.01425	5.6
85.02966	5.1
85.06577	7.7
89.02452	5.7
99.00887	3.7
101.02447	12.3
113.02465	7.6
113.06122	10.2
119.05080	21.8
125.02465	5.4
125.60001	2.5
131.07167	61.3
133.02994	3.4
133.06944	6.9
138.33899	2.7
147.04544	100.0
148.04866	5.2
159.94052	2.9
161.02481	16.0
161.04491	3.8
163.04044	19.0
165.05591	90.5
166.05949	6.6
173.08208	27.7
193.05035	6.1
202.06331	3.6
207.06633	48.0
208.07150	3.1
221.08525	6.8
231.10266	3.8
238.60530	2.8
307.12225	6.5
349.13031	5.1
409.14926	8.4
469.12592	21.0
469.18402	3.3
469.33215	6.4
470.13742	4.6
470.29559	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01378	5.2
61.98830	4.5
66.82325	0.2
71.01388	3.8
71.43108	0.2
71.43460	0.4
72.99300	0.3
73.02945	0.9
75.00865	0.3
80.91686	0.9
82.95416	0.6
83.01384	0.5
85.02965	1.6
87.00883	0.6
89.02460	2.7
89.03990	0.3
95.01391	0.4
96.04577	0.9
99.00875	0.5
101.02460	2.1
105.03485	0.4
108.02181	1.2
110.06149	0.3
111.00931	0.3
111.03316	0.2
113.02449	1.7
119.03523	0.6
119.05019	1.6
125.02448	0.5
126.05585	1.0
131.07211	0.2
132.02216	1.4
133.02974	30.5
134.03384	1.3
135.04541	11.5
136.04878	0.5
137.02414	0.7
138.01987	23.3
139.02353	0.5
139.03995	0.6
146.98387	0.2
147.04543	0.2
147.06578	0.3
149.06062	0.8
151.00397	0.5
160.01721	0.5
161.02461	100.0
162.02805	5.7
163.04037	2.0
163.08986	0.2
165.01952	0.3
169.01434	0.2
169.05034	1.1
175.03949	0.4
177.05620	1.6
179.03520	9.6
180.04179	0.5
183.22015	0.2
195.06628	0.6
203.03522	0.3
221.04575	2.3
222.04755	0.4
225.07684	0.5
228.92809	0.2
251.05545	2.3
281.06680	4.1
282.06998	0.3
323.07721	0.5
341.08783	1.7
342.09015	0.2
432.11511	5.3
433.11707	0.9
450.14020	1.8
451.14206	0.4
468.15121	59.3
469.15457	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	468.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69965	0.3
59.01380	4.6
60.01706	0.5
61.01801	0.7
61.98834	100.0
70.77150	1.0
71.01396	0.9
72.99354	0.4
85.02972	0.3
85.58770	0.3
89.02461	0.6
92.92881	0.2
101.02447	0.5
101.06097	0.6
102.02000	0.3
111.00883	0.3
113.02454	0.5
119.03554	0.4
119.05025	1.4
123.04546	0.4
133.02974	1.5
135.04558	1.0
137.02448	1.7
138.01997	0.6
147.04601	0.5
147.06648	2.3
148.07011	1.1
149.06151	0.3
151.00317	0.3
151.04013	0.3
161.02472	4.4
163.04053	1.0
165.01949	15.0
165.05705	0.4
167.03558	1.2
168.04138	0.3
171.06570	0.4
177.01942	0.3
179.03532	3.2
180.04311	8.5
189.05582	0.3
195.06650	17.9
210.05374	1.1
220.06250	0.7
225.07671	7.3
243.08720	0.6
263.09192	0.6
281.06781	0.4
361.12964	0.7
408.23056	0.3
421.14981	3.4
468.15109	2.4
469.17322	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	467.3168
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
50.43107	0.2
51.19641	0.2
51.42982	0.2
53.57455	0.2
68.66804	0.2
69.58430	0.8
69.58855	1.1
95.04645	0.2
100.96716	0.2
125.90610	0.2
148.35359	0.2
159.05502	0.2
208.24915	0.2
219.13971	0.5
337.11005	0.2
407.92160	0.2
423.32684	67.2
424.28635	0.3
424.33011	13.5
467.31668	100.0
468.31982	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	467.317
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52460	0.2
70.86565	0.5
135.35886	0.2
147.52458	0.2
217.34012	0.2
253.91893	0.2
304.86865	0.2
311.23715	0.2
321.22290	0.3
331.15286	0.2
339.23349	0.4
353.25317	0.2
407.29602	0.4
423.32684	0.3
444.89236	0.2
467.31693	100.0
468.32028	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68198	0.3
61.98828	1.2
78.95919	0.6
105.62727	0.3
128.89944	0.3
136.49701	0.3
152.99632	0.6
177.12923	1.0
189.12915	0.6
204.79768	0.3
205.16196	0.3
217.16010	0.8
229.75346	0.4
231.17558	0.5
233.15474	0.6
233.73613	0.3
239.20226	0.4
245.04355	0.7
261.14966	2.0
263.16614	0.8
278.47507	0.3
287.20120	0.3
293.23965	0.3
355.26453	0.3
407.30075	0.4
423.28790	0.3
467.31778	100.0
468.32111	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48285	0.2
70.48635	0.5
95.28666	0.2
99.34325	0.2
119.15292	0.2
219.02249	0.2
321.22253	0.3
337.25366	0.4
339.23337	0.8
353.24792	0.2
355.26254	0.3
363.26819	0.2
407.29514	0.7
423.32880	0.3
446.92621	0.2
447.74893	0.2
454.33978	0.2
467.31686	100.0
468.32034	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36134	0.2
59.01375	1.1
61.98832	100.0
71.01396	0.4
71.71519	0.4
73.98117	0.2
85.03014	0.2
95.01411	0.2
101.02470	0.3
101.36352	0.2
105.21713	0.2
105.72833	0.2
111.00894	0.4
114.01999	0.8
133.72073	0.2
177.02074	0.2
178.02707	0.2
213.05525	0.2
243.06767	0.3
283.27994	0.2
325.24933	0.2
349.63254	0.2
350.24591	0.2
372.97806	0.2
374.12137	0.2
390.19244	0.3
439.03415	0.2
468.16922	0.2
468.22449	1.2
469.21503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98832	100.0
62.80386	0.1
62.98542	0.2
69.74461	0.4
69.74867	0.8
71.01405	0.5
72.99325	0.2
85.02940	0.8
87.00938	0.2
101.02457	0.2
109.81403	0.1
111.00891	1.2
112.01240	0.4
113.02427	0.2
119.03502	0.2
129.10400	0.2
137.02437	0.3
149.02383	0.2
161.02524	0.4
167.03436	0.3
171.11470	0.2
173.00943	0.5
187.07687	0.2
193.05141	0.2
312.08270	0.2
406.19827	0.7
439.44815	0.2
467.27869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81591	0.5
57.03450	36.9
58.00587	0.6
58.03786	0.9
59.01381	24.8
61.98835	2.9
71.01387	8.9
72.85153	0.5
72.99315	1.6
73.02956	1.9
83.01385	0.8
85.02973	3.4
87.31934	0.5
88.58830	0.6
89.02460	4.7
97.02956	1.2
99.00875	0.6
99.04530	19.4
100.04867	0.9
101.02455	13.0
103.27988	0.5
109.02955	0.6
109.97605	0.6
111.00893	8.9
113.02515	0.8
114.96750	0.6
119.03514	1.5
125.02454	8.2
137.02397	0.7
141.34203	0.5
142.06668	0.9
143.03435	0.6
145.07782	3.5
154.99899	1.0
160.01672	2.3
160.06447	14.3
161.02353	1.0
161.04593	11.4
161.07225	40.5
162.07571	2.0
163.04085	0.6
171.10301	1.7
173.00934	5.6
173.07213	0.8
173.10970	1.1
175.04039	2.4
175.08774	30.4
176.04346	1.4
176.09096	1.5
185.10881	1.2
187.08853	4.5
189.06709	70.5
190.07042	4.4
191.02068	0.8
199.08696	0.7
201.10347	6.8
202.10718	0.9
203.08278	32.7
203.11877	8.0
204.06711	0.7
204.08582	1.7
209.03088	1.1
209.06662	1.8
217.09837	0.7
229.09825	17.6
230.10080	1.1
245.09319	1.1
257.03641	0.6
272.02802	0.7
273.03030	2.0
274.03320	1.1
275.03604	1.2
277.11816	2.8
287.16666	1.6
300.02505	0.9
301.03113	1.1
302.03302	3.1
303.03708	2.9
304.03922	1.9
305.11429	60.0
306.11792	6.1
323.12488	100.0
324.12775	10.2
334.98804	0.6
365.13577	14.2
366.13834	2.0
405.16681	1.9
467.09909	5.9
467.16873	6.4
467.22641	0.9
468.17236	1.0
492.91461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54086	0.2
51.79473	0.2
57.03456	0.5
59.01381	6.4
59.55092	0.1
61.98827	2.5
63.99636	0.2
69.52032	0.7
69.52470	0.7
71.01394	1.7
72.99313	5.0
73.02968	0.5
73.60076	0.2
75.00890	0.6
83.01413	0.7
84.13596	0.2
85.02968	2.8
85.03445	0.2
87.00895	0.6
88.98817	0.2
89.02488	0.4
93.03496	0.1
99.00880	1.5
101.02473	1.5
109.88519	0.2
111.00905	1.5
113.02463	0.5
116.05080	8.3
117.05452	0.4
125.02461	0.2
128.05083	3.8
129.01981	1.1
129.05432	0.2
130.06653	5.0
131.07024	0.2
132.04597	1.1
135.04550	0.3
137.02483	0.5
142.06647	9.6
143.06956	0.7
144.04558	0.9
157.05363	0.2
158.06139	23.2
159.03014	0.3
159.06493	1.4
161.02486	0.4
161.04611	0.4
166.06671	0.6
172.04063	0.8
173.00902	0.5
173.06021	0.2
184.07733	1.8
185.08041	0.3
186.05629	9.9
187.05923	0.8
187.07675	1.5
191.01837	0.3
193.07169	2.3
202.05014	0.2
204.06671	100.0
205.06999	7.4
205.08974	0.2
209.06683	5.3
213.09149	0.3
215.07169	0.4
228.06668	9.8
229.06871	0.8
231.06583	0.3
231.10294	1.0
235.08267	0.9
257.08215	0.8
261.06183	1.2
275.09241	0.5
388.37903	0.2
389.10410	0.2
406.11218	0.3
419.14941	0.5
447.25824	0.4
448.26291	0.4
465.27023	2.8
465.83139	0.2
466.13538	0.6
466.27426	2.8
467.15280	1.1
467.27811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93063	0.2
55.01882	1.5
56.22414	0.2
57.03453	1.0
58.00600	0.4
59.01381	54.1
60.01718	0.6
60.99314	0.3
61.98828	1.3
69.65680	0.2
70.60755	0.1
70.86958	0.5
71.01388	10.9
72.01733	0.2
72.99318	0.6
73.02950	5.2
73.03339	0.3
75.00887	0.4
77.74191	0.2
81.03386	0.2
83.01392	3.3
85.02958	7.5
86.00132	0.5
86.03310	0.2
87.00900	0.8
88.92329	0.2
88.98816	1.7
89.02454	1.5
95.01417	1.2
97.02934	0.2
99.00896	1.7
101.02458	11.9
102.02776	0.4
111.00880	1.0
113.02466	5.4
113.09768	0.2
119.03500	0.3
119.05071	0.2
123.04625	0.3
125.02517	0.5
129.01961	0.3
129.09265	0.2
129.10298	0.2
136.07610	0.2
143.03532	0.2
151.08855	0.2
159.02995	0.8
161.02458	0.4
161.04602	1.6
167.03555	0.4
243.19597	0.9
244.63889	0.2
303.13467	0.5
405.24936	2.3
406.25250	0.3
447.25964	2.8
448.26398	0.4
465.27026	100.0
466.27374	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	465.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
61.98836	4.1
67.01891	4.4
69.50901	6.4
85.02953	10.8
97.37000	0.7
111.00900	100.0
112.01247	2.8
114.81666	0.7
129.01958	5.8
165.12901	1.0
247.20628	1.1
274.24280	0.6
278.13132	0.8
291.19687	8.6
292.19925	0.8
292.94940	0.7
307.15494	1.2
309.20712	42.9
310.20920	3.4
315.23337	3.1
359.22394	5.1
360.22406	1.2
385.20282	0.8
418.19382	0.7
421.22171	1.6
435.17862	0.7
449.34998	0.7
462.85263	0.7
468.58774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25947	0.2
57.03444	0.9
58.00599	0.4
59.01383	100.0
60.01715	1.1
61.98837	1.1
70.07372	0.8
70.07784	0.3
70.90401	0.2
71.01391	6.3
72.99316	0.4
73.02946	0.2
73.80844	0.2
74.82294	0.2
83.01396	0.3
85.02980	0.8
87.00891	0.3
89.02458	9.5
95.01408	0.5
97.61486	0.2
98.19862	0.2
101.02461	3.3
113.02472	2.7
119.03519	4.9
119.04301	0.3
125.02458	1.9
131.03552	0.7
143.03510	1.3
149.04619	0.5
151.00439	0.4
153.02011	0.4
158.78833	0.2
161.04591	1.7
167.10814	0.6
177.01981	0.3
178.99931	0.3
179.05630	4.0
211.18953	0.2
285.04135	1.6
303.05075	1.2
304.05923	0.2
319.40094	0.2
405.21338	3.7
406.21762	0.6
465.23575	1.5
466.23859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03463	2.6
58.00604	2.2
59.01382	96.0
60.01720	1.8
61.01846	0.7
61.98833	32.8
65.00332	0.7
65.84521	0.8
69.50418	3.0
69.50854	3.0
71.01388	40.3
72.99324	2.9
73.02949	3.2
74.02483	1.0
75.00880	22.2
78.62281	0.5
80.39086	0.6
80.49964	0.5
83.01405	4.1
83.05030	0.8
85.02962	10.9
87.00882	3.4
89.02457	45.4
90.02779	0.9
91.29416	0.6
93.03482	0.9
95.01411	2.9
97.03012	0.9
98.19888	1.1
99.00891	1.3
99.04571	0.8
100.67554	0.6
101.02460	26.3
102.02831	0.8
107.01390	1.7
108.02197	1.1
109.03001	1.4
111.00860	4.4
113.02470	18.2
119.03518	20.6
121.02937	1.0
122.03745	1.5
122.06152	0.7
123.00938	1.5
123.04549	2.0
123.08187	0.9
124.01698	0.8
125.02470	11.2
126.02831	1.2
131.03545	2.2
133.03011	2.2
133.05103	0.7
137.02472	1.5
139.00552	0.7
143.03558	3.6
143.04543	0.9
145.02957	0.6
145.05083	3.4
149.02507	1.4
149.04610	1.4
149.99591	0.9
151.00398	6.0
151.03990	0.9
152.01161	0.7
152.03572	1.3
153.01973	6.5
154.02316	1.6
155.10777	0.7
159.03151	0.8
161.02486	6.8
161.04576	6.4
161.08229	0.8
163.11314	2.0
165.05583	1.1
167.03525	2.1
168.00580	1.5
169.01437	2.8
173.00935	1.7
175.04002	0.7
177.01953	1.1
178.99969	0.7
179.03450	0.8
179.03952	0.7
179.05641	9.3
181.12416	4.5
189.05595	0.6
191.01927	1.4
195.06656	0.8
199.04163	0.6
217.05142	0.7
217.10847	0.7
222.04703	0.6
229.05325	0.6
243.16000	7.9
244.16490	1.1
255.61867	0.7
273.07697	2.5
275.05417	0.9
285.04102	2.5
285.12323	4.2
303.05115	4.1
303.08765	3.7
405.21323	100.0
406.21695	14.7
408.07880	0.6
421.17215	0.7
429.14133	5.5
465.14655	0.8
465.22745	2.0
466.09866	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	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14773	0.7
58.00588	1.6
59.01374	13.8
61.98833	17.2
70.85852	2.5
71.01395	6.1
72.99314	1.2
73.02954	1.4
75.00887	1.6
77.37089	0.8
83.01366	1.3
85.02982	2.3
87.00884	4.0
88.98803	1.0
89.02475	2.2
96.96012	1.3
101.02460	3.4
109.02973	1.8
111.00890	0.8
113.02465	3.6
115.00402	1.6
119.03502	0.9
125.02480	8.0
136.01697	0.8
137.02477	2.7
149.02493	1.2
151.00388	2.3
151.04077	2.1
153.01950	4.1
161.02448	1.0
161.04573	3.7
164.01161	2.4
165.01958	22.3
167.03505	1.9
175.04022	1.2
177.01924	10.9
179.03520	40.8
180.04292	29.9
181.01405	1.4
181.04839	1.5
183.06616	2.0
192.04340	3.7
193.05103	1.2
194.05873	19.4
195.06638	100.0
196.06996	5.8
207.06682	2.3
210.05345	2.2
215.03603	0.7
217.04973	1.2
225.07698	28.3
226.08090	1.4
237.07668	1.1
243.08759	4.1
253.19560	0.8
259.06009	0.8
275.05582	1.5
285.04022	3.7
303.05179	7.5
357.11911	27.8
358.12097	3.8
369.11798	0.8
374.62762	0.9
405.21475	1.4
465.11029	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.10913	0.7
57.03445	8.4
59.01382	10.9
59.54700	0.5
61.98836	5.7
63.02400	1.4
65.00333	2.0
69.03467	0.6
69.68417	0.6
70.15312	3.6
70.53032	0.8
71.01393	6.6
71.04989	0.7
72.99322	0.9
73.02956	1.7
75.00887	1.2
78.91900	0.7
81.03454	0.7
83.01400	6.0
85.02962	4.3
87.00887	0.8
89.02460	3.3
93.03480	1.0
95.01406	2.7
98.20647	0.8
99.00894	2.0
101.02476	3.7
107.01430	4.4
108.02218	0.9
109.02990	3.9
111.00908	2.5
113.02485	2.8
119.03550	1.3
119.05080	1.3
121.02977	2.5
122.03787	2.4
122.45533	0.6
123.00916	3.0
123.04550	5.1
124.01683	4.2
125.02470	100.0
126.02794	3.6
129.02034	0.8
133.02963	1.5
134.03757	2.0
135.04532	1.9
137.02463	8.1
138.03157	1.1
139.00392	0.7
139.04033	1.7
142.90231	0.7
143.05002	0.7
145.02939	0.8
147.04552	2.0
148.62978	0.7
149.02452	4.6
150.03271	4.1
151.00404	15.4
151.04036	7.1
152.01198	12.2
153.00822	1.1
153.01964	12.4
154.02307	1.0
155.10710	0.9
161.02498	4.3
161.04581	1.7
161.06071	1.0
163.00456	1.0
163.03976	0.9
165.05624	0.8
167.03572	1.0
169.01472	1.0
171.04526	1.2
171.10406	0.7
174.03258	2.3
175.02521	1.3
175.04036	18.9
176.04425	1.7
177.01964	23.8
177.70114	0.6
178.02277	1.6
178.99890	15.1
179.01485	0.9
179.03589	0.6
180.00305	1.1
181.01453	2.3
188.04817	2.1
189.05603	4.6
191.03436	1.2
193.05136	2.0
197.06053	0.9
199.04041	10.8
199.05736	1.0
201.01941	3.2
210.12167	0.7
213.05602	2.3
215.06987	0.7
216.04306	1.8
217.05086	12.8
218.05400	1.5
231.06650	1.6
241.05070	8.3
242.02115	0.8
243.02928	2.3
257.04483	2.1
259.06137	4.9
260.06247	0.9
275.05591	6.4
285.04065	72.0
286.04446	7.6
297.06070	1.1
303.05124	61.6
303.12262	7.5
304.05435	6.2
304.12802	1.6
307.59387	0.7
321.15662	4.6
405.21515	1.5
429.14008	1.3
447.09396	1.8
464.22012	0.7
465.10345	65.2
465.21817	3.8
466.10596	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	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01384	3.9
61.98835	100.0
70.31651	0.2
71.01394	0.5
71.71188	0.4
72.99326	0.4
87.00915	0.4
89.02469	0.4
96.53035	0.2
101.02449	0.3
114.38531	0.3
118.30177	0.2
121.92977	0.2
142.06696	0.4
186.05608	0.5
190.12375	0.2
204.06796	0.3
207.04297	0.2
208.07652	0.4
227.25861	0.2
229.08765	0.4
236.07202	0.3
272.02499	0.2
301.03265	0.8
302.03870	0.4
331.39145	0.2
380.83652	0.3
464.09033	0.5
464.25406	0.6
465.26019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
57.03450	8.9
59.01383	20.0
61.98822	1.6
65.00319	3.3
66.23206	0.8
67.01922	1.0
69.03445	1.1
71.01388	6.4
72.99313	1.5
73.02936	2.3
75.00865	3.1
83.01399	6.1
85.02979	4.3
87.00863	1.3
89.02454	4.2
93.03434	0.9
93.57615	0.8
95.01383	3.5
99.00897	1.6
100.65187	0.8
101.02449	5.0
107.01394	2.5
109.02972	5.5
111.00891	3.2
113.02453	2.8
116.92888	0.9
119.03496	2.2
121.02997	2.1
122.06119	1.1
123.00885	2.9
123.04551	5.8
124.01680	9.5
125.02467	100.0
126.02782	3.6
129.01981	1.3
133.02950	1.7
135.04539	2.1
136.07678	1.4
137.02449	3.9
139.00339	1.3
145.02994	0.8
147.04468	0.9
149.02524	4.3
150.03258	3.4
151.00395	12.5
151.04053	5.5
152.01178	13.5
153.01982	9.5
155.10794	2.4
161.02481	1.6
161.04491	1.8
161.06099	1.0
163.00366	1.0
165.05562	1.9
167.03467	0.9
168.00664	3.1
168.06584	1.0
169.01376	1.5
171.04445	1.0
173.00833	0.8
173.06107	1.8
174.03217	1.5
175.02612	1.3
175.04008	6.3
176.01132	1.8
177.01953	4.3
178.99892	8.5
179.05675	1.8
181.01515	1.2
185.11847	2.1
188.04797	1.6
189.05540	4.8
191.03537	2.2
193.05025	3.7
197.52773	0.8
199.04015	1.6
199.09795	1.5
202.02544	0.9
204.06718	1.7
213.05539	0.9
215.07072	1.5
215.12907	0.7
216.04297	1.1
217.05095	9.4
217.10783	1.7
228.03610	0.9
231.06645	2.3
241.05031	2.5
254.03249	1.0
257.04459	1.6
258.05078	1.1
258.93777	0.8
259.06140	12.2
259.11908	2.1
260.06384	1.5
274.04623	1.9
275.05609	7.6
284.03336	0.9
285.04025	26.8
285.12360	2.5
286.04391	1.9
297.06070	1.2
303.04993	9.1
303.13565	2.9
387.19943	1.2
405.21283	2.3
421.11493	2.9
421.16815	1.2
423.18747	2.7
429.13763	1.4
437.10840	16.2
438.11182	2.0
447.09283	7.4
465.10330	94.0
465.20270	3.3
466.10767	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	463.2185
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
50.29381	0.1
55.01878	2.5
56.08839	0.2
57.03450	1.7
57.08400	0.1
58.00590	0.6
59.01383	13.6
60.01701	0.2
61.98836	1.7
67.01906	0.2
68.99798	0.2
69.03477	0.9
70.13942	0.2
71.01389	34.6
72.01722	0.5
72.99317	1.1
73.02954	15.4
75.00880	1.6
81.03456	0.4
81.58855	0.1
83.01398	5.9
83.05055	0.3
84.02173	0.3
85.02962	16.4
85.80618	0.2
86.00121	0.4
86.03321	0.3
87.00880	1.8
87.33411	0.2
89.01908	0.3
89.02460	6.3
93.61636	0.1
95.01404	2.6
97.02975	1.7
97.62055	0.2
99.00894	8.1
99.04547	0.5
101.02460	28.4
102.02795	0.6
103.18902	0.2
109.02935	0.2
111.00877	0.8
113.02468	15.0
114.02792	0.3
115.04009	1.2
119.03506	0.4
123.04544	0.4
125.02467	2.4
126.02852	0.2
129.01941	0.7
131.03543	1.6
133.03014	0.2
134.03740	0.4
135.04662	0.2
137.02539	0.2
137.44530	0.2
141.01987	0.2
143.03525	2.0
143.31493	0.2
149.02490	0.3
149.04607	0.7
149.06001	0.2
150.03210	0.2
151.00398	0.2
159.03024	3.4
161.04581	17.4
162.04921	0.7
163.11284	0.2
165.05611	0.6
167.03479	0.2
169.12341	0.3
179.05646	0.2
191.05594	0.3
193.05058	0.8
204.06578	0.2
205.03642	0.3
209.11848	6.1
210.12138	0.5
215.05705	0.3
227.12881	1.3
233.06662	1.3
239.12776	0.2
253.09268	0.7
255.03096	0.4
269.61661	0.2
271.02551	0.5
293.08817	0.6
300.02832	0.9
301.03558	0.7
301.19781	0.2
331.17624	22.1
332.17960	2.1
375.16132	0.2
403.19745	0.3
431.85898	0.2
463.21835	100.0
464.22205	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03442	0.5
58.00591	0.3
59.01383	8.7
61.98830	2.6
62.73986	0.2
63.69883	0.2
69.03492	0.3
71.01387	6.5
71.42838	0.3
71.43188	0.3
72.99319	0.3
73.02964	1.7
83.01392	1.0
83.05046	0.3
85.02964	1.8
87.00883	1.1
89.02456	5.2
95.01398	0.5
97.02969	0.3
97.06605	0.6
99.00905	0.5
101.02459	6.2
105.31185	0.2
111.00903	0.4
111.04547	0.2
111.08169	0.8
113.02468	2.8
119.03526	1.2
124.26553	0.2
125.02483	0.3
133.05084	0.5
141.02077	0.2
143.03592	0.4
161.04613	1.7
165.12866	7.9
166.13258	0.4
179.05606	0.8
183.13914	100.0
184.14264	7.0
209.11867	1.8
227.12895	8.5
228.13266	0.4
235.08195	1.2
253.09290	7.0
254.09766	0.4
255.02921	0.3
264.79596	0.2
271.02530	1.0
300.02655	1.1
301.03549	0.7
301.16364	0.2
308.08511	0.2
445.20776	0.7
463.21805	71.0
464.22137	11.6
470.01752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58154	0.1
57.03445	0.2
59.01380	2.8
61.98832	100.0
62.99289	0.2
71.01389	0.3
72.99332	0.4
73.02961	0.2
77.02818	0.2
85.02982	0.3
87.00892	0.2
93.26598	0.1
98.19884	0.3
101.02489	0.2
137.02428	0.3
142.06631	1.0
186.05646	0.9
204.06737	0.5
208.07756	0.2
229.33870	0.2
236.07210	0.2
262.08759	0.2
263.09546	0.2
271.02420	0.3
301.03265	0.4
302.04059	0.3
418.50803	0.2
464.09213	0.4
464.21997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12048	0.4
53.55706	0.4
55.01868	0.5
57.03210	0.4
57.03446	2.1
58.00604	2.5
59.01381	100.0
60.01722	1.6
61.98831	2.2
65.00321	0.4
66.86275	0.4
70.35692	1.7
71.01387	31.3
71.74220	0.4
72.01750	0.5
72.99300	2.1
73.02967	1.4
73.41798	0.4
75.00896	0.7
79.15900	0.4
82.69134	0.4
83.01406	1.5
83.05026	2.2
85.02966	5.0
87.00876	3.1
88.98843	0.8
89.02455	45.3
90.02784	1.0
93.03481	0.5
95.01398	2.1
99.00896	0.5
101.02456	16.9
107.01391	0.8
109.02987	0.6
113.02465	14.1
114.02045	0.5
119.03522	17.9
121.02981	0.5
122.03806	0.5
123.08198	0.5
125.02470	1.2
128.03584	1.4
131.03517	2.6
131.04550	0.5
140.07193	2.4
141.09224	0.4
143.03529	3.6
149.02579	0.5
149.04601	1.4
151.00383	2.9
153.01930	0.5
153.09192	0.5
153.91882	0.4
155.03517	0.4
161.04581	6.2
163.11247	0.5
165.01999	0.4
165.09232	4.9
167.10832	0.7
175.02452	0.4
178.99875	0.7
179.05653	16.9
180.06023	0.8
205.12405	1.8
209.54272	0.4
223.13470	1.1
233.06296	0.4
241.14391	1.8
270.42044	0.4
300.02570	0.6
301.03714	0.8
313.05609	0.4
329.11011	0.6
341.05243	2.9
365.09726	0.8
403.19794	9.3
404.20346	0.7
463.08694	1.0
463.22079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.7
59.95998	0.4
61.98834	3.8
71.01398	2.7
71.71866	0.3
71.72290	0.6
72.99319	0.4
75.00881	6.0
83.01427	0.4
85.02953	0.6
88.98810	1.0
89.02447	1.7
93.03548	0.4
101.02455	1.0
107.01380	0.4
113.02486	0.9
118.64764	0.3
119.04967	0.5
121.02964	0.5
125.02458	0.9
132.16687	0.4
134.49013	0.4
145.07721	0.6
149.06024	0.4
150.03276	0.7
152.01193	0.5
161.04546	0.6
167.03484	1.5
172.08807	1.6
179.05566	0.5
193.05142	0.4
198.06746	8.7
198.10342	0.4
199.07042	0.6
204.06590	0.4
209.11829	5.3
214.09962	1.8
227.12868	1.1
230.74603	0.3
241.07310	63.3
242.07834	18.9
243.08824	7.9
253.09506	0.6
255.02902	0.7
256.09494	2.9
257.10452	4.0
271.02533	0.8
285.09924	8.8
286.10062	1.0
299.11588	2.2
300.02820	0.9
301.03561	0.4
311.11380	2.4
353.12579	1.5
358.13190	0.6
359.13791	1.1
373.14044	1.7
376.14078	3.0
377.14685	5.9
401.14749	4.6
419.15729	100.0
420.16068	13.9
463.08749	1.5
463.17010	2.3
464.17703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
58.19235	0.4
60.76820	0.4
63.02400	1.0
65.00322	2.0
76.68610	0.4
83.01398	1.8
91.60432	0.4
93.61996	0.5
95.37134	0.4
107.01403	5.4
108.02183	2.9
109.02978	2.4
121.02956	3.0
122.03362	0.5
132.35027	0.4
135.00934	2.5
135.04526	0.5
148.01660	2.9
149.02328	0.6
151.00401	12.9
159.04468	0.7
163.00391	4.2
164.01169	1.7
165.01816	0.5
169.01401	0.4
178.99905	4.5
183.04572	1.0
187.03990	0.9
188.04958	0.5
192.00650	1.0
198.03439	0.4
199.04008	2.1
201.05611	0.9
203.03444	0.5
211.03951	2.2
213.01825	0.7
215.03511	1.2
216.04291	1.1
226.02731	3.5
227.03526	5.6
228.04028	0.6
229.01471	0.6
229.05023	0.6
243.02994	21.4
244.03436	2.0
245.04486	1.7
254.02283	2.6
255.02986	42.7
256.03415	3.3
271.02469	100.0
272.02884	9.1
273.04025	1.1
283.02530	1.2
287.90756	0.4
299.02045	2.2
300.02777	66.2
301.03497	40.9
302.03864	2.9
343.04352	0.4
463.08817	70.1
464.09116	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	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73732	0.3
57.03457	2.2
58.00591	0.9
58.37463	0.3
59.01384	27.0
59.25922	0.3
60.01696	0.3
61.98836	15.0
65.00322	0.4
70.02987	0.4
71.01393	18.3
71.71156	0.5
71.71526	0.4
72.01719	0.4
72.99318	2.2
73.02947	2.3
75.00883	3.2
79.63870	0.3
81.03458	0.5
81.82319	0.3
83.01391	2.1
83.05055	0.3
84.18876	0.3
85.02970	3.2
85.04080	0.8
87.00893	23.6
87.05632	0.4
88.01217	0.5
88.04089	0.3
88.98817	0.9
89.02453	5.1
93.03474	0.8
95.01400	0.8
95.05024	0.3
96.00912	0.6
97.02983	0.5
97.06638	0.4
98.37119	0.3
99.00903	1.3
99.04501	0.3
101.02469	3.9
101.60566	0.4
105.03465	0.4
107.01420	0.8
107.05109	0.3
108.02198	0.6
109.02984	2.7
109.06731	0.3
111.00903	0.8
112.98812	0.6
113.02477	3.5
113.03572	0.5
114.01989	1.0
115.00397	42.7
116.00716	0.8
116.92896	0.4
119.03528	1.7
121.02979	2.8
122.03783	0.5
123.04557	2.3
125.02470	13.2
126.02804	0.4
127.00405	1.0
127.05196	0.6
128.03571	3.0
129.02000	0.4
129.03911	0.5
131.03587	0.3
131.04660	1.0
133.02998	1.2
135.03030	5.5
135.04562	1.1
135.05605	0.5
135.68370	0.3
137.02458	6.0
138.05621	0.5
139.04050	1.0
140.07214	1.4
142.99883	0.8
143.03499	0.7
147.04506	0.4
148.01692	1.2
149.02501	3.5
149.04543	0.4
149.06100	0.3
150.03296	0.6
151.00420	3.8
151.04053	1.7
151.05078	0.3
152.01208	0.4
152.03574	0.8
152.04817	3.2
152.48056	0.3
153.01981	2.8
153.06830	0.4
154.05141	0.4
156.07794	0.5
159.03018	0.6
160.04073	0.6
161.02478	3.2
161.04533	1.8
161.05859	0.3
163.00430	1.1
163.03978	0.4
164.01202	0.9
165.01959	2.3
165.05580	0.9
165.12927	0.3
166.02699	0.5
166.06387	0.4
167.03503	1.2
167.07159	2.6
169.01244	0.4
169.06387	0.3
173.00862	0.4
174.01736	0.4
175.02510	100.0
176.01260	0.6
176.02817	4.1
177.01962	6.1
178.02728	2.6
178.99939	0.6
179.03531	3.1
179.05745	1.9
179.06938	0.3
181.05064	0.6
182.05724	0.6
183.04391	0.4
184.03786	0.3
187.03999	0.4
188.04659	0.4
193.01472	1.6
194.05923	0.7
195.02966	1.2
196.07396	0.4
197.04530	0.8
197.06116	0.4
199.03970	0.6
200.06807	0.8
201.01834	0.4
202.99925	2.1
204.00706	2.0
205.01427	1.4
205.12375	1.2
205.33879	0.3
209.04524	0.5
209.08200	2.2
212.06934	4.5
217.04944	0.4
219.02850	0.4
227.09258	8.8
228.09543	0.5
235.08258	0.7
241.05057	0.6
241.14478	1.2
243.03105	0.3
245.04494	0.3
245.08366	0.4
264.81180	0.3
271.02548	0.6
271.06061	0.4
283.06177	1.4
285.04062	0.9
287.05713	1.4
289.07178	3.0
299.05518	0.5
300.02707	0.8
301.03528	1.1
301.12915	0.5
309.04178	0.3
311.10034	0.5
323.04193	0.7
327.05124	13.7
328.05389	1.7
329.10999	0.8
330.11407	0.4
341.05185	1.9
343.04434	0.6
345.06171	3.5
347.08444	0.7
355.04755	1.0
364.10098	0.7
365.09735	3.4
367.04449	0.3
385.18747	0.6
401.10941	1.3
403.19867	1.4
433.22284	0.3
445.07642	0.4
455.60303	0.3
462.25656	0.4
463.08749	0.9
463.13431	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	462.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98832	100.0
62.98531	0.3
71.01395	0.4
72.38197	0.2
73.02953	0.2
78.65809	0.2
78.95924	0.2
85.02977	0.3
98.02509	0.2
98.19798	0.3
101.02496	0.2
106.06628	0.4
107.06971	0.2
111.04533	0.4
112.04834	0.3
113.02475	0.3
136.07657	0.3
147.56712	0.2
153.25078	0.2
208.10571	0.2
209.11913	0.6
227.13007	0.2
251.12894	0.2
255.03137	0.5
271.02432	1.1
286.61801	0.2
299.14154	0.4
300.02740	1.4
300.14478	0.8
301.03574	0.7
310.21301	0.2
462.20294	0.2
462.25864	0.7
463.08765	1.2
463.21362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50280	0.2
57.03427	0.1
59.01380	4.5
60.01708	0.3
61.98833	100.0
63.86488	0.1
67.72528	0.2
68.82032	0.1
69.03460	0.2
71.01392	0.8
73.02962	0.2
75.00906	0.3
78.40581	0.1
83.01397	0.3
85.02977	0.3
87.00889	0.2
89.02479	0.5
90.02764	0.1
93.03496	0.2
98.19824	0.3
101.02493	0.5
101.66022	0.2
108.02148	0.1
111.00927	0.4
113.02473	0.2
115.04070	0.2
119.03491	0.2
125.02486	0.6
137.02477	0.5
151.00391	0.2
153.02031	0.4
161.02496	0.2
166.38023	0.1
167.10852	0.2
214.06583	0.1
215.07155	0.2
216.63516	0.2
221.19174	0.2
239.07335	0.2
243.03067	0.2
255.03052	0.2
271.02426	1.4
282.07733	0.2
283.06155	0.3
299.01773	0.2
300.02744	2.1
301.03613	0.9
301.07269	0.4
399.13168	0.2
402.21835	0.2
424.22891	0.4
462.25861	0.5
463.08749	2.0
463.25876	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	461.3638
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
53.62427	0.2
59.01384	0.4
59.91987	0.2
61.98831	0.6
71.71075	0.2
73.02979	0.2
78.43544	0.2
94.81663	0.2
111.04565	1.2
113.06133	0.2
135.08185	3.3
149.06155	1.2
150.06889	3.1
150.89880	0.2
151.04044	0.3
163.07675	100.0
164.07997	6.1
176.08492	0.5
189.09290	0.4
221.08182	0.6
223.09630	0.2
235.09793	4.0
236.10202	0.4
249.11313	0.4
251.12836	0.3
293.14069	0.5
333.17191	0.4
446.34076	2.3
447.34476	0.6
461.29291	4.8
461.36310	55.2
462.29959	0.8
462.36679	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	461.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03445	3.0
58.00596	1.2
58.02969	2.6
59.01381	44.3
61.98836	4.2
68.01418	2.8
69.95364	1.4
69.95773	4.0
70.02988	7.1
71.01385	24.5
72.00921	1.2
72.99319	3.0
73.02946	2.0
73.04076	1.7
75.00903	2.5
81.04594	0.9
82.02991	4.9
83.01379	1.9
84.04546	1.4
85.02964	5.9
85.04079	21.6
86.02495	3.3
87.00882	4.3
87.05651	13.8
88.04048	0.8
89.02458	33.1
93.03471	1.8
95.01402	1.9
96.00917	9.2
97.03008	1.0
97.04100	1.3
98.02502	1.9
98.20624	1.0
99.00899	0.9
101.02464	16.5
102.00178	1.4
108.02213	1.0
109.02972	1.0
109.04098	2.4
110.02546	0.9
111.00912	1.4
111.02039	1.5
111.04540	2.1
111.05624	1.1
112.04070	1.9
113.02466	10.6
113.03580	9.1
113.07255	4.9
114.01987	14.5
115.00386	3.5
116.92862	2.8
117.92883	0.9
119.02853	2.0
119.03564	11.9
120.01236	2.1
121.03006	1.7
123.04546	1.4
125.02483	6.1
125.06129	1.1
127.05161	12.7
128.03568	55.0
129.03885	1.3
131.03632	1.6
131.04651	20.3
133.02994	1.9
135.02957	1.1
135.04630	1.7
135.05672	4.4
136.01715	1.7
137.02499	5.1
137.07249	1.5
138.01912	0.9
138.05637	0.9
138.06769	1.3
139.04143	1.2
139.05148	4.7
140.01173	7.2
143.03522	2.4
143.68938	0.8
144.04585	1.0
145.06255	5.0
146.04639	1.6
147.02403	2.0
149.02512	1.8
149.04567	1.4
151.00313	1.3
151.04015	3.9
152.01146	1.0
152.08324	5.4
153.01974	1.3
153.06709	3.4
155.02364	1.2
155.03539	9.5
155.08246	2.1
156.07764	6.0
158.08226	1.2
161.02490	7.1
161.04555	5.1
162.02809	2.4
163.02937	1.1
164.03578	1.8
165.01909	1.1
165.03122	2.0
166.06267	5.0
167.03484	1.1
170.09406	1.3
175.02534	7.0
175.03990	1.4
177.01936	3.2
178.06253	1.9
179.04462	2.6
179.05652	5.2
181.06291	4.4
182.05742	11.8
182.67323	0.9
183.04144	3.8
184.07272	2.5
196.07245	7.8
197.05688	3.0
199.01875	1.7
200.06790	17.8
201.07210	1.1
203.10838	1.9
206.09486	2.0
208.07402	1.5
212.05023	1.0
214.08415	4.7
217.02962	5.6
221.08276	1.3
221.11882	5.0
224.10382	7.3
225.10956	1.0
230.06067	1.2
234.05522	6.1
239.09372	2.2
242.11508	0.9
248.07095	11.6
249.09947	1.0
267.11044	1.1
293.13864	1.2
299.08121	1.1
299.11459	1.0
311.10013	6.4
317.08679	3.6
325.03741	1.0
329.11032	21.8
330.11395	2.2
343.04504	1.0
345.08713	15.1
346.06900	5.0
359.09845	1.2
363.09811	100.0
364.10098	7.9
371.13718	1.0
401.18243	9.0
402.18845	1.4
417.13983	1.5
418.19968	0.9
443.15662	1.2
461.17035	5.7
461.24808	4.0
462.17026	1.7
462.26422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84883	0.9
55.01868	2.6
57.03439	3.2
59.01384	48.8
59.73096	0.9
61.98833	2.9
66.32378	0.8
66.35902	0.8
69.39426	7.0
69.39832	2.3
71.01390	41.1
72.99314	3.0
73.02954	16.1
75.00871	4.1
79.53843	0.8
83.01401	6.3
85.02968	17.4
87.00893	2.6
89.02460	20.5
93.03493	1.2
95.01403	2.4
97.02966	3.2
98.20586	1.6
99.00893	5.6
101.02463	33.5
102.02802	1.0
103.04037	1.5
105.40117	0.9
111.00904	7.7
111.04563	2.3
113.02466	16.7
115.04049	2.0
119.03554	1.7
121.03022	1.0
122.03712	1.0
125.02460	4.0
129.05719	0.9
131.03535	10.2
133.02998	1.5
137.02464	2.5
143.03520	2.7
149.02463	1.0
149.04570	4.5
150.03264	1.6
151.00371	0.9
151.03990	1.0
153.05609	4.3
159.03040	2.8
161.02464	2.3
161.04590	12.0
165.05623	1.4
168.00729	0.9
195.06651	2.2
221.11882	2.1
233.06664	2.1
235.09746	1.1
259.76569	0.9
269.10315	24.1
270.10745	1.9
293.08636	1.7
401.14560	100.0
402.14896	14.1
460.27454	1.0
461.15207	3.4
461.25626	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20607	0.2
59.01383	100.0
60.01716	1.0
61.98837	1.8
69.65866	1.8
69.66278	0.5
71.01403	1.4
72.99332	1.0
73.02950	1.3
75.00880	0.3
81.34867	0.3
83.01414	0.3
83.10373	0.3
85.02951	0.4
89.02480	0.6
96.51492	0.2
101.02477	0.8
102.55315	0.2
111.00915	0.5
111.04568	0.3
111.69196	0.2
113.02476	0.6
119.05059	0.4
119.97605	0.3
122.03796	0.3
133.02997	0.3
134.03761	1.4
135.04594	0.3
137.02461	0.6
147.04501	0.3
149.02504	0.4
149.06165	0.8
150.03232	2.0
161.02470	1.7
161.04601	0.6
165.05602	3.2
166.05853	0.3
175.04019	0.4
178.02768	1.1
193.05089	3.0
195.06648	1.5
265.07278	0.7
299.09546	0.3
359.13669	0.3
399.13101	1.7
461.14999	0.4
461.20297	0.6
461.25681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23107	0.7
55.01881	1.9
57.03452	2.6
58.00595	2.3
59.01383	47.4
59.17618	0.7
61.98842	1.9
66.49294	0.8
69.39928	7.1
69.40353	2.6
71.01388	37.8
72.99323	3.0
73.02954	13.9
75.00878	2.6
81.03479	0.9
83.01399	5.7
83.05047	1.0
85.02962	15.1
86.59594	0.8
87.00900	2.6
89.02458	20.1
93.03461	1.1
95.01428	1.2
96.99596	0.8
97.02968	3.2
99.00893	4.9
101.02458	29.9
111.00909	6.7
111.04552	3.3
113.02474	13.8
114.02937	0.7
119.03519	1.1
125.02475	3.1
131.03516	9.3
131.52400	0.8
137.02454	2.2
139.03941	0.9
143.03517	3.4
145.45764	0.8
149.02493	0.9
149.04610	4.4
150.03180	1.2
153.05571	3.4
159.03004	3.0
161.02411	2.1
161.04572	9.8
163.28983	0.8
165.05602	1.2
179.10814	1.6
193.04999	1.5
195.06609	1.8
221.11844	2.7
233.06712	2.4
235.09903	1.6
247.83334	0.9
251.12869	1.4
269.10312	18.7
270.10684	1.7
281.13165	0.9
293.08801	1.7
311.31100	0.8
375.18228	0.9
401.14542	100.0
402.14865	10.7
456.94406	0.9
461.15967	4.2
461.24750	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	460.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35527	0.2
57.03460	0.3
59.01382	11.3
60.01714	0.6
61.98834	100.0
62.98540	0.2
69.03461	0.2
71.01402	0.9
71.71712	0.3
72.99337	0.2
73.02976	0.2
83.01416	0.3
85.02972	0.4
87.00906	0.4
87.04497	0.3
88.98830	0.2
89.02467	0.9
99.00915	0.3
101.02472	0.6
107.80585	0.2
110.72203	0.2
111.00888	0.2
111.04564	0.9
113.02482	0.7
113.06162	0.2
115.00411	0.2
122.97622	0.2
125.02469	0.2
125.06119	0.4
125.77950	0.2
126.05556	0.2
126.06435	0.2
146.08345	0.2
150.05615	0.3
151.50439	0.2
161.04539	0.2
167.10745	0.3
175.02551	0.6
179.05600	0.2
180.04454	0.2
208.17429	0.2
211.13448	0.3
225.11472	0.2
235.09793	0.5
241.01546	0.4
251.12962	0.3
270.01819	0.7
271.02542	0.4
278.11353	0.2
293.13953	0.3
294.39935	0.2
299.02014	0.4
327.21661	0.3
375.17993	0.2
400.24289	0.2
459.27466	0.5
460.28079	2.4
461.07584	0.6
461.20145	0.4
461.25839	1.3
461.30719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03457	0.8
58.00608	0.5
59.01380	100.0
60.01709	1.3
61.98832	17.7
69.03477	0.4
71.01387	14.0
72.01712	0.3
72.99317	0.8
73.02950	5.3
73.53096	0.2
73.56912	0.2
75.00900	0.5
79.01926	0.6
83.01392	2.1
83.05119	0.2
85.02962	4.5
85.03445	0.3
85.71857	0.2
86.00096	0.3
87.00895	1.0
87.04529	1.0
89.02452	8.4
89.18650	0.2
95.01389	1.2
97.02967	0.6
99.00890	1.1
101.02457	10.2
102.02853	0.2
111.00930	0.7
111.04539	0.6
112.01711	0.2
113.02464	6.4
119.03516	2.8
119.04984	0.2
121.02964	0.3
125.02455	0.7
125.06091	1.9
130.08812	0.3
131.03554	0.6
135.04581	0.3
135.08170	0.4
137.02493	0.3
137.09784	0.2
141.02036	0.2
143.03502	1.2
145.03018	0.3
149.04591	0.3
151.03874	0.2
159.03050	0.4
161.02554	0.4
161.04567	3.2
161.05853	0.2
169.12393	0.3
175.04225	0.2
179.04333	0.2
179.05621	1.2
179.07074	0.2
189.63405	0.2
196.85207	0.2
205.05193	0.2
205.12343	0.3
209.11813	0.3
219.06790	0.8
225.15002	0.3
233.08301	0.5
234.09048	0.4
235.09761	0.5
237.14944	0.3
239.16664	0.3
247.09807	0.6
255.19772	0.4
265.08203	0.2
277.10852	1.7
297.20804	0.4
329.19922	0.6
331.15677	0.7
333.13651	0.6
333.17242	0.3
333.20901	0.3
375.18466	0.7
381.23001	0.4
390.20453	0.3
399.23892	9.2
400.24179	1.6
417.24915	7.6
418.25507	0.8
459.27670	11.0
460.20999	0.5
460.27985	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03454	0.8
58.00606	0.5
59.01381	100.0
60.01715	1.4
61.98834	9.7
67.22590	0.2
69.03455	0.4
69.65218	1.2
71.01389	10.5
72.01748	0.3
72.99336	0.7
73.02956	3.9
75.00903	0.3
79.01911	0.3
81.03478	0.2
83.01398	1.9
83.05051	0.2
85.02960	4.7
87.00904	0.9
87.04530	1.0
88.98831	0.5
89.02457	4.0
89.02992	0.3
95.01393	0.8
95.09663	0.2
97.02997	0.5
99.00891	1.3
101.02458	7.7
101.92875	0.2
109.02976	0.3
111.00922	1.1
111.04497	0.2
112.01757	0.2
113.02461	4.4
113.03239	0.2
116.92905	0.3
117.03516	0.2
119.03517	1.1
119.05022	0.4
122.03838	0.2
125.02476	1.1
125.06105	0.9
127.07681	0.2
133.03056	0.2
135.04535	0.4
139.11359	0.2
143.03555	0.9
145.03038	0.4
149.54324	0.2
159.03078	0.6
161.02483	0.5
161.04582	4.1
161.05849	0.3
162.04932	0.2
163.04158	0.3
165.05518	0.2
169.12502	0.3
179.03651	0.3
179.05678	0.4
181.42018	0.2
193.05099	0.3
205.12431	0.2
206.32959	0.2
211.16869	0.2
219.06664	0.2
221.08206	0.2
233.04758	0.2
233.08246	0.3
239.16704	0.4
247.09799	0.5
255.19810	0.6
277.10941	0.7
278.11340	0.2
297.20615	0.3
311.99405	0.2
313.14914	0.2
329.19745	1.0
331.15707	0.5
339.09177	0.3
375.18472	0.4
381.23077	0.8
399.23911	12.9
400.24243	2.2
417.24957	10.5
418.25113	1.4
451.20648	0.2
459.27747	6.3
460.21344	0.3
460.27725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03439	0.8
59.01378	100.0
60.01701	1.5
61.98830	13.1
62.20033	0.2
63.63054	0.2
69.03465	0.5
70.76477	0.3
70.91857	0.4
70.92197	0.5
71.01384	5.0
72.99312	0.8
73.02965	0.8
75.00896	0.4
77.66512	0.2
79.01923	0.3
83.01422	0.6
85.01185	0.5
85.02949	2.8
85.03380	0.3
87.00904	0.7
87.04501	0.4
88.98830	0.4
89.02448	5.2
93.03487	0.3
95.01409	0.6
97.02966	0.5
99.00897	0.8
99.02771	0.3
101.02452	3.4
106.26121	0.2
111.00928	0.8
111.04581	0.3
113.02480	2.6
116.87021	0.2
119.03513	2.1
119.05035	0.3
121.02968	23.3
122.03278	1.3
125.02496	0.9
125.06094	1.7
126.06419	0.2
129.01981	1.0
130.99995	0.4
131.02197	0.2
131.03488	0.3
133.03036	0.9
135.04538	0.6
143.03543	0.6
147.00909	0.4
149.02504	0.5
151.00388	0.2
159.03076	0.4
161.02457	3.2
161.04553	1.4
162.02888	0.4
163.04045	0.3
165.09265	0.7
175.00417	0.3
179.03447	0.4
179.05634	1.4
180.08208	0.3
190.02788	0.6
191.03439	0.5
205.05135	1.2
205.12286	0.4
209.06595	1.6
219.06699	0.4
223.13422	0.3
233.08223	0.5
235.09789	0.5
247.09833	1.0
249.06303	0.6
266.08133	0.3
277.10770	1.3
289.14465	0.3
331.15500	0.6
332.15771	0.3
333.13593	0.5
333.17169	0.3
339.08405	0.2
355.11578	0.2
375.18353	0.6
399.24023	2.2
411.52444	0.2
417.25397	0.3
421.21133	0.3
451.66721	0.4
459.04871	1.6
459.18301	6.1
459.27682	7.8
459.67798	1.2
460.18689	0.9
460.28085	1.4
483.61484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03439	0.8
59.01378	100.0
60.01701	1.5
61.98830	13.1
62.20033	0.2
63.63054	0.2
69.03465	0.5
70.76477	0.3
70.91857	0.4
70.92197	0.5
71.01384	5.0
72.99312	0.8
73.02965	0.8
75.00896	0.4
77.66512	0.2
79.01923	0.3
83.01422	0.6
85.01185	0.5
85.02949	2.8
85.03380	0.3
87.00904	0.7
87.04501	0.4
88.98830	0.4
89.02448	5.2
93.03487	0.3
95.01409	0.6
97.02966	0.5
99.00897	0.8
99.02771	0.3
101.02452	3.4
106.26121	0.2
111.00928	0.8
111.04581	0.3
113.02480	2.6
116.87021	0.2
119.03513	2.1
119.05035	0.3
121.02968	23.3
122.03278	1.3
125.02496	0.9
125.06094	1.7
126.06419	0.2
129.01981	1.0
130.99995	0.4
131.02197	0.2
131.03488	0.3
133.03036	0.9
135.04538	0.6
143.03543	0.6
147.00909	0.4
149.02504	0.5
151.00388	0.2
159.03076	0.4
161.02457	3.2
161.04553	1.4
162.02888	0.4
163.04045	0.3
165.09265	0.7
175.00417	0.3
179.03447	0.4
179.05634	1.4
180.08208	0.3
190.02788	0.6
191.03439	0.5
205.05135	1.2
205.12286	0.4
209.06595	1.6
219.06699	0.4
223.13422	0.3
233.08223	0.5
235.09789	0.5
247.09833	1.0
249.06303	0.6
266.08133	0.3
277.10770	1.3
289.14465	0.3
331.15500	0.6
332.15771	0.3
333.13593	0.5
333.17169	0.3
339.08405	0.2
355.11578	0.2
375.18353	0.6
399.24023	2.2
411.52444	0.2
417.25397	0.3
421.21133	0.3
451.66721	0.4
459.04871	1.6
459.18301	6.1
459.27682	7.8
459.67798	1.2
460.18689	0.9
460.28085	1.4
483.61484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88691	0.3
55.01880	0.6
57.03446	0.5
59.01380	100.0
60.01718	1.0
61.98833	19.7
69.03483	0.2
71.01389	7.7
71.71367	0.4
72.99316	0.9
73.02943	2.5
74.72602	0.2
75.00873	0.2
76.18112	0.2
79.01939	0.5
83.01395	1.3
85.02958	3.4
87.00905	0.7
87.04539	0.7
89.02444	3.0
95.01426	0.6
97.02979	0.5
99.00875	1.3
101.02454	6.7
101.03075	0.4
102.02820	0.2
107.05064	0.4
109.03022	0.2
111.04534	0.6
113.02465	3.8
117.03509	0.4
119.03540	1.0
119.05046	0.4
121.03017	0.7
123.08086	0.2
125.02482	0.7
125.06126	1.6
133.02980	0.3
134.03828	0.3
143.03558	0.7
145.02960	0.5
151.00333	0.3
159.03032	0.9
161.02483	0.6
161.04572	5.1
161.05869	0.5
163.07596	0.2
165.05701	0.2
179.05626	0.4
195.13971	0.4
209.15569	0.4
219.06709	0.5
219.13974	0.9
221.08156	0.4
233.08235	0.7
234.08986	0.5
235.09798	0.5
237.14977	1.7
247.09814	0.7
249.11516	0.3
266.08087	0.2
270.95197	0.2
277.10895	1.7
279.19199	0.3
289.14658	0.3
291.18146	1.3
313.14682	0.3
331.15701	1.0
333.13437	0.6
333.17194	0.4
373.20410	0.3
375.18320	0.7
381.22595	0.4
390.20612	0.3
399.20297	1.2
399.24527	4.7
400.24475	0.6
417.24960	1.5
423.22357	9.6
424.22980	1.1
443.23383	0.3
459.27658	11.6
460.28076	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	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.84134	0.4
57.03448	0.4
59.01382	11.4
61.98838	0.9
69.75778	3.4
71.01385	8.4
72.99332	0.5
73.02965	1.5
79.35189	0.4
80.25900	0.4
82.14837	0.4
83.01398	1.1
85.02973	2.9
87.00881	0.9
89.02457	4.8
89.03969	0.4
89.41685	0.4
95.01385	0.6
97.02946	0.5
99.00895	0.7
101.02460	6.7
109.02963	0.8
113.02459	1.9
117.03477	2.6
119.03523	1.5
121.05092	4.0
125.02453	0.6
125.06139	0.6
132.02200	16.8
133.03023	3.6
134.03763	36.1
135.04410	2.0
137.02429	1.3
144.15941	0.4
145.20444	0.5
147.04561	0.6
149.02521	0.6
149.06114	4.7
152.03568	0.6
153.01944	1.1
160.01682	83.6
161.02357	8.7
161.04558	0.6
162.02838	0.8
164.35730	0.4
175.04027	100.0
176.04387	6.7
177.01907	0.9
177.05435	0.6
178.02719	1.5
179.03506	2.2
191.07152	2.0
193.05077	43.3
194.05417	2.7
207.06670	0.7
235.06122	4.5
265.07111	0.8
283.10260	0.6
295.08182	0.6
337.09256	1.1
439.05103	0.5
459.15094	98.6
460.15350	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01421	0.2
57.03457	0.4
58.00571	0.2
59.01381	100.0
60.01716	1.3
61.98833	2.9
63.85564	0.2
64.75533	0.2
66.75098	0.2
71.01389	3.5
71.09404	0.4
71.09749	0.2
72.99329	0.4
73.01691	0.2
73.02966	0.9
79.01915	0.2
83.01408	0.3
85.02957	1.6
87.00915	0.6
87.04543	0.3
88.98816	1.1
89.02444	3.3
89.02914	0.3
92.58979	0.2
95.01410	0.3
97.11570	0.2
99.00917	0.4
101.02447	2.3
111.00883	0.2
111.04521	0.3
113.02464	1.6
119.03538	0.7
119.05055	0.2
125.02445	0.2
125.06127	0.7
129.01988	0.3
131.03540	0.3
133.02965	0.3
135.04530	0.3
143.03560	0.4
145.02995	0.3
161.02521	0.3
161.04576	1.4
163.07631	0.2
173.13371	0.3
179.03555	0.3
179.05682	0.9
199.14951	0.4
209.06670	0.6
233.08047	0.3
235.09821	0.4
235.96841	0.2
247.09828	0.3
267.07114	0.3
277.10980	0.8
279.16095	0.4
311.30054	0.2
331.15527	0.4
399.24118	1.9
400.24054	0.3
459.22516	2.2
459.27673	3.6
460.22729	0.4
460.28366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48396	0.2
57.03430	0.3
59.01381	4.6
66.61394	0.2
68.75855	0.2
71.01392	3.7
71.53642	0.4
73.02962	0.8
74.18633	0.2
77.03983	0.2
83.01408	0.3
85.02956	1.5
87.00867	0.2
89.02460	3.0
101.02467	2.5
101.75723	0.2
105.03477	0.5
113.02460	1.5
117.03496	1.0
118.43050	0.2
119.03519	1.1
119.04990	0.2
123.04596	0.4
125.02432	0.4
132.02188	1.2
133.02979	27.5
134.03221	1.4
135.04553	9.8
135.05638	0.4
135.06653	1.3
136.04861	0.4
137.02501	0.4
145.02980	0.5
153.01985	0.3
161.02469	100.0
162.02812	5.9
163.21838	0.2
171.61824	0.2
177.05537	0.4
179.03520	7.3
180.03845	0.3
188.72620	0.2
190.98097	0.2
221.04617	0.8
251.05681	0.6
267.09210	0.2
281.06693	0.6
297.11679	0.2
459.15082	70.8
460.15445	9.8
460.25015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01524	0.2
55.01875	0.3
57.03458	0.3
59.01379	5.3
69.03468	0.2
69.72086	0.2
70.87302	0.2
70.87666	0.6
71.01386	4.0
72.99316	0.3
73.02961	1.0
75.00860	0.2
83.01388	0.5
85.02946	1.1
87.00876	0.2
87.04564	0.7
89.02449	3.0
90.02756	0.2
95.01380	0.2
101.02458	2.5
105.03455	0.4
107.05054	0.3
109.02966	0.3
110.54941	0.2
113.02467	1.6
117.03500	1.0
117.05601	0.6
119.03522	0.9
121.02990	0.2
123.04517	0.3
125.02459	0.3
132.02187	1.2
133.02977	28.6
134.03386	1.2
135.04541	9.3
135.06636	1.2
136.04893	0.5
137.02498	0.4
143.03482	0.2
149.06128	0.5
153.01939	0.9
161.02463	100.0
162.02792	6.5
172.88829	0.2
177.05656	0.3
179.03519	6.4
179.05182	0.4
180.03796	0.2
192.39096	0.2
221.04517	0.5
221.11552	0.2
225.72305	0.2
281.06680	0.4
459.15076	72.2
460.15427	10.4
460.20728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
58.00599	1.0
58.15995	0.6
59.01381	27.7
63.14135	0.7
69.53468	1.0
69.54107	5.1
69.54421	0.6
71.01387	20.3
71.60996	0.5
72.00911	1.1
72.99311	1.1
73.02953	50.9
74.03304	1.2
75.64480	0.5
83.01395	0.8
85.02955	3.6
87.00887	1.6
89.02454	25.3
90.02775	0.5
95.01411	1.1
98.20015	1.7
99.00903	5.1
101.02460	9.7
108.02204	0.7
113.02480	7.5
116.92892	2.9
117.01964	100.0
118.02328	3.2
118.05112	4.0
119.03510	7.7
125.02478	0.6
129.21523	0.7
131.03473	0.8
143.03523	2.8
149.04544	1.8
152.01224	0.9
161.02426	0.6
161.04578	3.5
163.06113	0.7
179.05644	13.0
180.05978	0.8
203.37453	0.7
205.51170	0.7
255.70212	0.6
277.10895	0.7
279.10834	5.0
311.01886	0.6
341.10898	38.0
342.11349	3.4
459.15381	0.8
459.27359	0.7
474.99652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03538	0.8
58.00432	0.5
58.00686	0.7
59.01155	6.4
59.01489	23.3
61.98927	1.0
71.00839	0.8
71.01072	2.7
71.01507	16.4
71.71291	0.6
71.71700	0.5
72.99445	1.9
73.03071	2.0
75.00526	2.4
75.01002	14.9
83.01524	1.9
85.03088	3.5
87.00997	1.0
87.04606	0.5
88.98948	3.4
89.01968	2.1
89.02581	20.1
92.50981	0.4
95.01484	1.0
97.03069	0.6
99.00900	2.2
99.92722	2.4
101.01868	1.0
101.02582	15.2
109.03078	1.4
111.00981	0.7
113.02480	9.0
116.92886	31.8
117.02066	1.5
117.03574	0.8
117.93013	1.8
119.03520	11.0
121.03069	0.6
123.04600	1.1
125.02540	1.2
125.06135	1.0
128.03629	0.7
129.01996	0.4
129.31245	0.4
131.03604	0.9
132.02296	1.3
133.02983	26.6
134.03825	2.5
135.03030	1.8
135.04553	23.0
135.06746	1.0
136.04901	1.0
137.02573	1.5
143.03598	1.4
149.02563	1.0
149.04759	0.8
149.06165	3.4
151.00450	0.8
152.01233	0.9
153.02000	1.3
153.05659	0.7
161.02472	100.0
162.02826	6.2
165.05598	0.6
166.02737	0.5
167.03560	0.7
175.03963	0.9
177.02008	0.9
177.05580	5.5
178.02657	0.5
179.03519	20.2
180.03889	0.9
181.05119	0.9
184.47926	0.5
193.05090	0.9
197.04579	0.9
198.08640	0.4
205.05084	0.6
207.06584	0.5
208.07437	0.7
211.06168	1.0
221.04544	6.1
223.06119	0.9
234.35693	0.4
237.07774	0.6
238.08344	1.0
251.05623	3.0
253.10764	0.6
277.10751	0.6
281.06702	6.2
292.78214	0.5
297.08267	61.3
298.08521	3.7
315.06876	0.6
323.07513	0.7
341.08707	3.5
383.09775	2.1
385.14774	0.5
399.09280	0.6
449.05338	0.5
459.09949	55.1
459.14423	11.9
459.21576	1.3
459.26535	5.3
459.32870	1.1
460.05420	0.6
460.10370	8.5
460.15280	0.9
460.26334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3329
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.80666	0.4
50.80878	1.2
54.42844	0.4
57.03453	0.9
59.01368	1.3
61.98830	1.9
71.01392	0.6
71.70826	0.7
123.04482	0.6
125.06091	1.3
171.95802	0.4
209.08168	0.4
214.10599	0.4
289.81686	0.4
365.27948	0.4
369.27963	1.6
411.33206	0.6
413.31018	3.3
414.30975	0.8
457.26147	5.9
457.33658	100.0
458.26447	1.3
458.34003	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3325
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.01381	0.6
61.98836	1.0
83.05013	0.3
98.19886	0.8
125.06076	0.8
137.68860	0.2
240.53459	0.3
261.34006	0.3
311.14285	0.3
407.57178	0.2
413.34290	1.3
457.33197	100.0
458.33597	19.8
470.46252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67290	0.4
55.01883	0.7
57.03442	1.4
58.00587	1.1
58.72832	0.4
59.01381	26.2
60.01709	0.7
60.99286	0.4
61.98832	2.1
69.03470	0.5
69.10068	0.5
71.01389	16.8
71.71482	0.5
71.71873	0.7
72.99312	2.6
73.02950	3.0
74.02480	1.1
75.00449	0.7
75.00879	13.0
79.01894	1.2
83.01399	2.6
85.02971	3.8
85.50718	0.4
87.00889	1.4
87.04511	0.7
88.98803	2.7
89.02455	16.7
95.01411	1.2
99.00878	2.2
99.92588	3.5
101.02456	14.1
108.02210	0.6
109.02965	1.9
111.04473	0.7
113.02462	6.6
116.92877	36.7
117.01952	1.5
117.03462	1.2
117.92889	2.8
118.98116	0.7
119.03523	7.5
119.04932	0.5
121.02963	0.7
123.04530	1.8
125.02473	1.5
125.06098	3.2
128.03575	1.1
131.03560	0.8
132.02179	0.8
133.02974	26.9
134.03806	2.6
135.02986	1.1
135.04544	17.7
135.06644	1.3
136.04839	0.7
137.02461	1.3
137.06183	0.6
139.04013	0.7
143.03471	1.1
149.02493	0.8
149.04604	0.5
149.06155	2.2
151.04044	1.1
153.01970	3.5
153.05563	0.8
161.02464	100.0
162.02811	5.0
163.04036	1.0
165.05519	1.0
166.02762	1.2
167.03471	0.7
173.05884	0.5
175.03963	1.1
177.01953	0.6
177.05594	3.6
178.02769	0.7
178.06264	1.2
179.03517	17.5
180.03880	1.1
180.10284	0.7
181.05107	1.2
189.05730	0.5
191.10719	0.5
193.05089	1.9
197.04610	1.1
205.05141	0.5
205.12309	0.7
208.07393	1.0
211.06161	2.4
219.06657	1.2
221.04559	5.8
222.04799	0.5
223.06105	0.8
233.08179	0.9
234.08887	0.7
235.06180	0.7
235.09802	1.2
237.07610	0.6
238.08412	1.9
247.09776	1.0
251.05606	2.9
253.10777	1.2
267.08588	0.6
277.10785	2.9
279.08493	0.5
281.06693	5.5
297.08209	44.0
298.08505	2.7
323.07770	0.6
331.15417	1.2
333.13672	0.5
333.17200	0.6
341.08740	3.3
354.68567	0.5
375.18112	1.3
383.09793	1.4
399.09360	1.0
415.18091	1.0
459.10956	30.6
459.15378	37.6
459.27545	16.2
460.11145	4.0
460.15579	7.0
460.28021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99317	1.2
67.91955	0.2
70.73797	0.5
81.90320	0.1
125.06086	0.2
179.85889	0.2
207.15279	0.2
393.31610	0.4
395.33383	0.8
396.33286	0.2
439.32144	0.2
457.33246	100.0
458.33578	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	457.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	3.9
61.98824	0.5
65.69871	0.1
71.71632	0.1
71.72025	0.2
78.82946	0.2
83.05064	0.2
125.06110	1.0
153.09210	0.2
235.09789	0.5
236.10234	0.2
283.58569	0.2
292.67435	0.2
304.83362	0.2
340.32755	0.2
395.28815	0.2
395.33618	1.1
411.32645	0.6
413.34491	0.2
439.32153	0.4
450.10788	0.2
457.33234	100.0
458.26740	0.7
458.33575	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3327
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.61635	0.2
58.92489	0.2
60.99031	0.2
60.99311	3.4
61.98839	0.4
75.04059	0.2
76.45725	0.2
101.18038	0.1
104.25829	0.1
125.06087	0.4
130.16710	0.2
160.62862	0.2
171.62135	0.2
354.32886	0.2
395.29184	0.2
395.33249	1.5
411.32870	0.6
413.33853	0.2
439.32251	0.7
455.32712	0.2
456.32321	0.2
457.33255	100.0
458.33603	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	457.3324
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.95160	0.2
58.18507	0.2
59.01355	0.4
60.99301	0.4
61.98824	0.7
70.98207	0.2
95.00227	0.2
98.20667	0.4
104.75230	0.2
123.04565	0.2
125.06117	0.3
177.69211	0.2
198.17874	0.2
213.21249	0.2
220.40117	0.2
229.62402	0.3
277.21677	0.2
292.12842	0.2
434.42303	0.2
457.33218	100.0
458.33557	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25098	0.7
57.03444	2.6
59.01385	3.3
59.27531	0.6
61.98834	2.4
71.01383	1.5
71.05011	0.8
75.35612	0.6
125.06103	2.7
130.06563	0.7
271.28415	0.6
333.42377	0.6
367.26395	1.5
369.27853	2.0
395.29532	1.7
397.27609	3.0
411.29034	5.7
413.30698	25.2
414.31119	4.4
457.28305	100.0
457.33865	57.8
458.29828	22.6
458.34317	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	457.296
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
51.21962	0.3
59.01383	1.5
61.98832	1.3
63.04635	0.3
69.12119	0.3
71.01392	0.4
73.15505	0.3
79.11257	0.3
83.05061	0.3
95.05043	0.4
98.19865	0.9
116.71191	0.3
118.96055	0.3
125.06107	1.4
132.20479	0.3
139.08937	0.3
295.22839	0.5
325.22125	0.3
395.29453	0.5
411.28970	2.9
412.29251	0.3
413.30618	18.9
414.31052	3.5
457.29605	100.0
458.29935	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	457.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14735	0.1
55.07416	0.1
57.03455	1.7
59.01392	0.1
59.19768	0.1
59.42513	0.1
61.98830	0.1
62.81089	0.1
69.03465	1.0
70.72672	0.3
72.80789	0.1
77.42934	0.1
204.27484	0.1
258.84344	0.1
260.52899	0.1
329.61179	0.1
353.28452	0.1
395.29523	0.3
397.31400	0.2
411.33075	0.1
413.29776	0.6
413.34384	2.7
414.34857	0.6
457.33331	100.0
458.33627	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03437	0.6
58.00597	1.0
59.01381	100.0
60.01723	1.4
61.98833	13.5
67.02194	0.2
69.03457	0.5
71.01388	21.5
71.71844	0.4
71.72212	0.2
72.01705	0.4
72.99322	1.4
73.02950	10.1
75.00893	0.5
81.03452	0.5
83.01394	3.7
85.02962	4.3
87.00889	1.3
89.02457	17.1
90.02792	0.3
94.23396	0.2
95.01399	1.5
95.41730	0.2
97.02961	0.3
99.00894	0.9
101.02457	15.8
102.02798	0.3
111.00887	0.3
113.02467	10.5
113.48637	0.2
114.02783	0.4
119.03516	7.2
119.05000	0.4
121.24125	0.2
125.02490	0.9
125.06092	0.6
131.03539	1.9
133.03009	0.5
135.04539	0.5
137.02498	0.2
143.03500	1.8
143.77583	0.2
149.02477	0.3
149.04578	1.2
155.03539	0.3
161.02475	0.9
161.04570	4.1
163.03998	0.3
177.01994	0.9
179.03606	0.4
179.05667	2.5
205.05080	0.3
209.08229	1.3
235.13480	0.7
269.04309	0.2
337.07272	0.3
397.22559	1.5
398.22821	0.3
457.20038	0.3
457.25623	2.5
458.25571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03444	1.4
58.00595	2.7
59.01381	30.3
60.01704	0.6
61.38993	0.4
61.98829	6.5
71.01388	20.2
71.70934	0.6
72.99297	3.0
73.02956	2.5
83.01380	1.9
85.02966	6.2
87.00875	1.0
89.02451	14.0
95.01400	1.7
97.02962	0.7
99.00882	0.8
101.02455	12.0
113.02476	6.4
119.03529	3.6
125.06110	1.1
168.41917	0.4
179.05519	0.5
182.36929	0.4
206.92157	0.4
223.17070	2.8
247.16615	0.4
277.21719	7.2
278.21970	0.7
295.22787	5.2
296.23120	0.6
303.18533	0.4
322.79022	0.4
397.27512	1.6
398.27960	0.7
400.48825	0.6
413.26434	0.5
439.26929	1.1
457.28156	100.0
458.28516	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	457.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35881	0.3
58.16417	0.3
59.01380	1.2
61.98843	1.9
64.36338	0.3
70.27753	1.2
70.94861	0.3
71.01418	0.5
95.05061	0.9
97.02981	0.4
118.09937	0.3
125.06128	0.7
147.03062	0.5
159.41769	0.3
186.43114	0.3
193.12300	0.4
219.13908	0.8
251.18964	0.3
291.19614	0.8
309.20755	1.1
325.21744	9.2
326.22186	1.4
340.24249	0.7
367.26563	0.6
372.23251	0.6
395.29538	0.4
411.29260	2.3
413.30701	18.3
414.30978	3.8
457.29709	100.0
458.30042	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	457.1977
Annotation	Kopsilongine-N-oxide
Peak:m/z	Relative Intensity
51.15759	0.4
57.03461	0.5
59.01381	24.1
60.50614	0.3
61.98833	9.3
65.00314	0.4
65.99848	0.9
67.01907	0.4
71.01388	4.7
71.71952	0.7
72.99300	0.7
73.02950	2.7
83.01402	1.3
83.05058	0.4
85.02947	1.8
87.00909	0.6
89.02451	2.9
92.13358	0.4
95.01415	0.6
95.05040	1.5
96.95989	0.7
97.02953	0.4
97.06589	0.5
99.00875	0.7
101.02459	4.5
110.06145	2.7
113.02459	2.6
116.05120	0.9
116.20449	0.4
118.06746	0.4
119.03520	1.1
121.05399	0.4
122.06144	10.9
122.07030	0.5
123.06525	0.5
125.02462	0.8
125.06100	0.9
139.75940	0.4
143.03519	0.4
144.04611	0.8
151.00380	1.0
154.06747	0.4
158.02499	1.7
158.09816	0.5
159.03143	0.4
160.04051	1.8
161.02409	0.4
161.04602	1.6
170.09761	0.9
172.11412	0.5
175.02689	0.6
179.05569	0.5
184.07773	0.7
186.01988	44.7
186.12880	0.9
187.02649	5.4
188.03549	3.9
188.07176	0.9
189.04182	0.4
196.11522	0.4
199.37460	0.3
200.07207	0.8
201.07942	0.5
202.08644	0.5
213.07994	0.5
214.08730	2.5
214.12384	1.3
215.09586	3.1
216.10286	1.0
217.12361	1.1
218.04590	78.8
219.01851	2.1
219.05130	8.2
220.02438	0.6
220.06030	1.1
229.11061	0.7
230.11815	3.5
231.12192	0.5
235.13379	2.6
242.08279	0.7
242.11803	0.5
244.09785	2.9
245.06876	0.6
247.08426	0.6
251.04353	1.7
258.11331	6.9
259.11691	0.8
261.10089	1.1
265.72589	0.3
268.13577	0.4
270.82278	0.5
273.10086	4.1
273.13678	2.6
274.10818	6.7
274.14026	0.9
275.11230	0.9
276.12158	0.6
288.08746	0.8
297.08762	1.5
300.99365	0.4
304.11884	0.6
305.09290	0.6
305.12659	11.3
306.13165	1.2
309.08881	3.0
310.09363	0.4
311.14020	0.8
317.12643	4.1
318.13165	0.9
322.99576	0.4
323.13971	1.6
327.09909	1.6
339.17163	1.0
341.11337	0.7
341.97327	0.4
349.11728	5.0
350.12000	0.8
351.17181	0.8
352.18170	0.5
371.21005	0.4
383.15048	0.8
383.19766	8.3
384.20148	1.1
395.19858	14.7
396.20190	2.9
397.22232	0.8
413.20859	1.2
415.23138	0.5
427.18738	7.4
428.18927	1.3
439.18756	42.4
440.19086	6.7
456.35336	0.5
457.19830	100.0
458.20132	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	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90825	0.3
55.47280	0.3
57.03434	0.4
59.01380	4.1
61.98818	0.4
69.03458	0.5
71.01382	5.2
73.02959	1.5
76.26112	0.3
77.10371	0.3
80.02091	0.3
83.01411	0.8
85.02955	5.1
86.00099	0.4
87.00883	1.4
89.02448	1.6
94.55034	0.3
95.01398	0.7
96.42505	0.3
97.02961	0.7
98.19889	0.5
99.00887	0.4
101.02448	3.2
105.03474	0.4
107.05084	0.4
109.02956	0.7
111.00926	0.5
112.29770	0.3
113.02434	1.9
117.03483	1.0
119.03539	0.3
119.05050	1.2
121.02958	0.7
123.04497	0.7
131.03555	0.9
132.02193	1.4
133.02974	23.8
134.03365	1.2
135.04546	18.0
136.04837	0.7
137.02443	0.9
148.05339	0.7
149.06116	2.4
159.04568	0.3
160.01682	0.5
160.36891	0.3
161.02461	100.0
162.02797	6.5
163.04080	0.4
164.04692	0.4
165.73027	0.4
167.03514	0.4
175.03983	0.8
177.05585	5.0
178.02715	0.3
179.03517	19.2
180.03839	1.1
187.07721	0.4
190.02837	0.4
193.05005	0.3
203.03560	0.9
205.05090	3.2
221.04559	7.1
221.06462	0.3
222.04869	0.6
229.11926	0.4
251.05605	10.0
252.05875	0.6
259.06046	0.4
265.07239	0.4
281.06665	16.7
282.07022	1.1
323.07626	0.7
341.08783	7.9
342.09134	0.9
383.09842	61.7
384.10141	7.1
397.11368	0.9
439.12375	0.5
440.13290	0.4
457.13428	6.0
458.13699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
55.01877	1.5
57.03446	0.9
58.00581	0.7
58.02965	0.7
59.01381	33.6
60.97530	0.3
61.98834	12.5
69.03452	0.5
71.01388	29.0
71.72153	0.6
72.99316	1.2
73.02955	12.2
73.04085	1.7
74.02477	0.5
75.00890	0.6
77.00672	1.3
83.01402	3.7
83.05025	0.4
85.02962	10.5
86.03293	0.3
87.00900	2.2
87.04513	0.4
87.05627	0.4
89.02460	8.5
93.03471	0.9
95.01408	1.9
97.02961	1.2
97.04127	0.4
98.01281	0.4
98.02493	0.7
99.00896	15.1
100.01221	0.5
101.02457	18.0
102.02811	0.7
107.56968	0.3
108.02197	1.1
109.02978	1.0
111.00906	0.7
113.01688	0.8
113.02467	13.3
114.02795	0.7
115.05160	4.7
116.03568	0.4
117.03478	0.4
119.03504	1.0
119.05058	1.2
121.03017	1.0
122.03764	0.6
123.04539	0.5
123.08135	0.4
124.04118	0.5
125.02462	1.1
125.06101	1.4
129.01953	0.7
129.10365	1.8
130.08760	11.4
131.03523	1.0
133.02957	1.0
134.03816	0.5
135.04588	1.0
140.10791	0.4
143.03522	2.9
145.02963	0.4
145.06612	0.6
147.04517	1.3
148.05325	100.0
149.04436	0.4
149.05849	5.5
151.00447	0.4
152.01192	1.3
153.01993	1.8
155.08244	1.5
157.13484	3.6
159.03030	2.6
160.04051	0.4
161.02643	2.2
161.04579	28.2
162.02754	0.4
162.04831	0.8
163.07669	80.4
164.07999	4.7
166.08763	0.4
167.03505	0.3
169.09904	0.3
173.13347	0.4
177.62184	0.3
179.03502	0.6
179.05620	0.5
183.11331	0.5
188.07198	0.8
190.02725	1.1
191.05586	2.7
201.12465	1.8
203.03464	0.7
203.05620	1.1
205.03456	1.3
205.05133	1.3
206.08221	0.9
210.12465	0.8
211.06100	0.5
235.09714	0.8
236.62143	0.4
238.15767	0.5
249.08762	1.0
270.21881	3.2
271.22147	0.6
293.08633	1.0
295.11752	0.5
295.15414	0.3
305.21188	3.0
306.21585	0.4
307.22861	0.7
325.12839	2.4
327.24048	1.3
337.07196	0.5
351.21667	0.9
397.22333	1.2
413.24094	21.3
414.24344	2.6
439.25439	0.5
457.17117	50.9
457.26785	4.9
458.10861	2.7
458.17398	7.5
458.23093	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	455.317
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
50.82856	0.2
50.88856	0.2
52.28701	0.2
59.09986	0.2
60.99292	0.3
61.98810	0.3
70.73200	0.7
80.43106	0.2
105.22596	0.2
165.42595	0.2
229.89352	0.2
341.27191	0.2
375.30539	0.7
395.29636	0.4
409.31189	0.7
411.32712	9.8
412.32965	2.0
425.30457	0.6
437.30588	0.8
438.31155	0.4
455.31647	100.0
456.31946	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14656	0.2
59.01376	0.2
60.45754	0.2
60.47097	0.2
60.99273	0.2
61.98836	1.3
62.20766	0.2
69.66579	0.6
69.67008	0.7
71.04994	0.4
78.44873	0.2
110.66174	0.2
193.40450	0.2
343.26404	0.4
355.26410	0.4
411.31815	0.3
455.31458	100.0
456.31793	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	455.317
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
53.66748	0.1
57.03455	0.1
58.30648	0.1
59.01385	0.3
61.98816	0.4
71.71237	0.1
76.08342	0.1
77.46684	0.1
101.36703	0.1
101.56735	0.1
114.98777	0.1
139.07605	0.1
232.22876	0.1
275.90872	0.1
393.27963	0.6
394.28094	0.1
407.29315	0.3
409.31119	1.3
410.31366	0.2
411.32483	0.5
441.30139	0.2
453.30203	0.3
455.31564	100.0
456.31921	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	455.3171
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
50.70446	2.4
59.01364	1.2
61.98836	2.5
62.03735	0.9
64.84464	0.9
71.72099	1.8
78.39083	0.9
139.55830	0.9
245.09297	0.9
272.69144	0.9
276.37006	0.9
393.31448	2.2
409.31158	5.2
410.31207	1.3
411.27258	1.8
411.32727	27.4
412.33096	5.1
455.31250	97.2
455.35587	100.0
456.31567	19.9
456.36005	19.4
471.56033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47279	0.2
60.03845	0.2
64.69617	0.2
66.11560	0.2
69.53745	0.2
71.48851	0.3
118.41901	0.2
170.36520	0.2
206.59148	0.2
242.71559	0.2
305.13507	0.2
323.75162	0.2
344.21716	0.2
413.90265	0.2
455.35306	100.0
456.35645	21.8
473.14160	0.2
479.12457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52218	0.1
69.43379	0.8
69.43810	0.7
75.91072	0.1
81.70045	0.1
98.19900	0.3
154.26411	0.2
190.93686	0.2
330.14697	0.2
378.52502	0.2
389.90192	0.2
407.33121	0.2
455.35297	100.0
456.35623	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03452	1.2
59.01381	12.7
61.98833	100.0
64.88719	0.4
68.99825	0.8
71.01382	7.7
71.42831	0.9
72.99320	2.1
73.02950	0.9
75.00493	0.9
75.00882	7.6
83.01435	0.6
85.02957	9.0
86.03280	0.6
87.00894	3.3
89.02447	3.1
91.03947	0.6
95.01394	2.7
99.00897	4.4
101.02466	0.6
103.00383	1.2
111.00924	1.2
113.02470	11.6
115.00420	1.0
117.01945	1.8
122.06149	1.1
125.02437	0.9
129.01956	0.8
139.00438	0.6
139.82941	0.5
143.10797	54.7
144.11111	2.4
151.00386	0.8
157.01448	0.7
175.02490	1.5
180.83322	0.5
186.01997	4.1
203.13512	0.5
204.06723	0.6
218.04562	6.4
230.11946	0.6
231.05110	1.1
241.83588	0.6
249.06104	7.6
258.11240	0.9
267.07321	0.9
296.30988	0.5
305.12610	0.6
335.35468	0.5
349.11584	0.7
349.65100	0.6
375.16467	1.0
383.19629	0.6
393.17673	91.1
394.18018	10.4
395.19797	1.6
407.44141	0.5
427.18781	0.6
439.18649	2.5
456.35797	0.6
457.20038	8.3
457.25894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28446	0.3
55.62553	0.3
56.97730	0.3
59.01386	0.5
60.08509	0.3
60.99286	0.6
61.09598	0.3
61.98824	0.7
62.27851	0.3
69.39162	3.6
71.05029	11.6
72.05357	0.5
83.05023	0.5
95.05046	0.4
98.20644	0.6
99.84850	0.3
135.49966	0.3
201.75418	0.3
205.12354	0.4
219.13918	3.9
220.14238	0.3
248.76093	0.3
249.11253	0.6
323.20053	0.6
325.21729	27.0
326.22131	3.6
338.22333	0.3
339.23212	0.8
340.24121	1.9
340.27554	0.3
341.24539	0.6
354.43866	0.4
365.21164	0.4
370.21341	0.4
371.09280	0.3
372.23090	2.5
383.22302	26.8
384.22659	4.3
391.29871	0.6
409.27020	0.7
411.29001	6.3
412.29086	1.3
416.21631	0.5
439.28299	0.4
455.27820	100.0
456.28156	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
71.05032	0.4
71.19910	0.8
77.64018	0.3
81.69856	0.3
111.77455	0.3
114.43343	0.3
135.08160	0.8
172.99261	0.3
274.98569	0.3
281.19144	0.3
297.22186	0.6
312.64172	0.3
325.21777	0.4
326.81195	0.4
339.23306	0.5
340.24033	1.0
372.22989	0.9
393.28143	0.7
409.27451	1.9
410.27878	0.4
411.29056	15.1
412.29306	2.7
455.28018	100.0
456.28351	17.8
456.34875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2806
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
57.03454	4.8
59.01363	1.1
61.98834	3.0
69.03455	0.9
71.28688	0.4
71.70596	0.9
73.08625	0.4
83.05026	1.6
85.38053	0.5
97.06623	0.5
109.06581	1.2
111.11462	0.5
122.65555	0.5
123.08117	0.8
135.08096	0.4
159.57077	0.4
183.13786	0.4
189.12793	0.5
197.19559	0.4
245.75606	0.5
273.18710	2.5
292.18054	0.5
295.20807	0.6
305.84976	0.5
307.20602	1.4
315.99390	0.4
323.23969	2.1
324.24072	0.6
325.21448	0.7
327.23203	0.6
341.24905	8.6
342.25076	1.2
367.26349	0.6
377.24823	0.7
381.27988	2.3
411.29086	2.8
412.29404	0.9
437.30472	0.5
455.27875	100.0
455.34940	5.3
456.28244	20.0
456.34836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93057	0.1
57.03455	3.5
59.01366	0.2
61.98816	0.7
69.03465	2.5
69.41256	1.1
69.41683	0.7
71.04996	0.2
83.05032	0.3
83.94968	0.1
101.60085	0.2
109.06561	0.3
123.08154	0.4
135.08171	0.2
190.48914	0.2
227.20096	0.6
232.33821	0.2
295.20541	0.4
365.28403	0.4
367.30048	1.9
368.30392	0.3
375.26620	0.3
391.29572	0.3
393.27850	2.9
393.32263	0.2
394.28204	0.4
395.29367	0.5
407.29428	0.3
409.27512	5.2
409.32886	0.3
410.27695	0.8
411.29056	16.3
412.29388	2.7
427.16333	0.3
437.30618	1.5
438.30759	0.3
455.27768	100.0
456.28110	19.5
456.41492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3168
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
61.98840	0.1
71.05209	0.2
71.05589	0.3
81.17510	0.1
81.28876	0.1
123.08157	0.2
129.16211	0.1
152.96889	0.1
181.04491	0.1
212.51636	0.1
230.31975	0.1
289.12213	0.1
349.25269	0.3
365.28461	1.0
366.29047	0.2
379.30139	0.3
381.31592	1.0
382.31732	0.2
425.30426	0.2
455.31586	100.0
456.31937	20.6
465.80768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	0.9
67.24087	0.3
68.97272	0.3
85.31938	0.3
98.19838	0.7
113.79906	0.3
151.55438	0.3
229.73918	0.4
246.70459	0.3
300.51031	0.3
375.61011	0.3
393.31433	0.5
411.32898	1.5
425.30316	0.5
455.31525	100.0
456.31882	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	453.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.2
63.30536	0.1
71.70603	0.3
81.67381	0.2
176.05716	0.2
217.45477	0.2
453.33765	100.0
454.34109	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	454.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03452	0.9
59.01088	0.7
59.01383	12.4
61.98833	100.0
68.99831	0.5
69.03455	0.5
70.67725	0.7
70.68127	0.6
71.01389	7.8
72.99314	2.7
73.02951	1.0
75.00884	9.6
75.96926	0.4
78.95934	0.5
81.03441	0.3
83.01395	0.8
83.05059	0.4
85.02961	9.0
85.03449	0.6
87.00887	3.3
87.04537	1.5
89.02433	1.8
95.01403	2.9
99.00890	5.9
101.02460	0.8
102.02035	0.3
103.00383	0.8
103.04032	0.9
106.01935	0.3
111.00873	0.6
113.01690	0.7
113.02467	12.9
114.02801	0.6
115.00404	1.0
117.01952	1.9
119.03572	0.4
123.08205	0.4
129.01982	1.0
141.09241	50.7
142.09560	2.7
157.01465	0.6
175.02504	1.4
183.13881	0.6
205.07266	0.5
231.05170	0.9
249.06148	10.1
249.08772	0.6
267.07278	1.4
373.15109	1.7
378.02383	0.3
391.16107	88.5
392.16425	9.4
398.99414	0.3
406.32388	0.3
432.23065	0.4
445.18716	0.4
445.82281	0.3
455.16312	0.6
455.35040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2652
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01874	1.1
57.03446	1.2
58.00597	2.4
59.01383	41.0
61.98834	3.5
69.91596	0.4
71.01389	25.1
71.70987	0.7
72.01732	0.3
72.99316	3.7
73.02948	1.4
79.21257	0.3
83.01408	2.9
85.02967	6.4
85.69656	0.3
87.00873	0.5
89.02460	21.5
90.02773	0.5
91.16933	0.4
95.01402	2.1
99.00900	0.9
101.02460	15.7
113.02465	7.8
116.12489	0.4
119.03529	7.4
125.06126	0.4
131.03531	0.5
143.03510	0.5
149.04514	0.5
161.04597	0.8
165.12852	0.5
179.05716	0.6
201.41005	0.5
223.17003	1.5
231.21085	0.4
257.52872	0.4
275.20187	6.2
276.20441	0.7
277.21805	1.4
293.21243	10.1
294.21762	1.0
366.44595	0.5
455.26517	100.0
455.35959	3.5
456.20502	1.0
456.26862	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	453.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45118	0.3
59.01366	0.8
59.88830	0.3
61.98828	1.7
63.56541	0.3
75.14074	0.3
78.08012	0.3
78.97755	0.3
85.18719	0.3
97.06594	1.4
98.19813	0.5
124.45846	0.3
131.43120	0.3
164.52560	0.3
179.92769	0.4
255.23203	0.8
256.23792	1.6
294.13449	0.4
311.23849	0.5
323.23889	2.7
324.24142	0.4
341.24902	0.5
363.26852	0.5
377.28659	0.8
379.30203	2.8
380.30475	0.5
389.28293	0.5
391.30215	1.9
407.29645	1.2
409.31052	1.2
453.30078	100.0
454.30420	20.6
466.36044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.3
63.29755	0.1
70.47428	0.5
83.05038	0.1
85.06593	0.2
97.06625	0.2
123.08166	0.5
128.46562	0.1
135.08208	0.4
177.40881	0.1
189.12856	0.2
256.23541	0.2
273.18500	0.2
309.22198	0.2
311.20071	0.2
323.23779	0.2
325.21463	0.2
341.24915	1.4
342.25299	0.2
363.26697	0.2
375.26938	0.3
377.28821	0.2
379.30081	0.1
391.30045	0.3
393.28030	0.6
407.29486	0.5
409.31100	1.4
410.31253	0.2
453.30118	100.0
454.30447	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	453.3376
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.45765	0.1
54.52170	0.1
60.88601	0.2
61.98823	0.5
71.08183	0.1
71.59996	0.3
78.63152	0.1
114.99293	0.2
121.01469	0.1
122.12048	0.1
176.06100	0.2
185.80794	0.2
304.19873	0.2
453.33765	100.0
454.34085	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32032	0.2
59.08811	0.2
61.51531	0.1
61.98815	0.2
68.14351	0.2
69.48349	0.7
69.48774	1.0
97.35475	0.2
98.19923	0.4
154.54187	0.2
286.76657	0.2
427.54126	0.2
453.33755	100.0
454.34082	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	453.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04683	0.2
59.01378	0.2
61.98827	0.4
65.43829	0.2
71.41207	0.5
84.87505	0.2
93.52362	0.2
121.53786	0.2
123.35556	0.2
142.38499	0.2
279.23254	0.9
295.88461	0.2
407.33124	0.8
409.31702	0.2
453.33771	100.0
454.34106	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	453.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09642	0.1
69.45463	0.1
69.45808	1.3
98.19875	0.2
125.38807	0.1
262.05042	0.1
295.20715	0.4
363.26987	0.9
391.30017	1.2
392.30438	0.2
407.29544	4.3
408.29816	0.7
409.31128	18.0
410.31415	3.7
453.30087	100.0
454.30429	20.9
454.43427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34283	0.2
61.98814	0.2
70.57999	0.5
70.58403	0.3
95.05045	0.3
98.74827	0.1
100.11627	0.1
116.40288	0.2
117.15617	0.2
135.08182	0.6
140.96678	0.1
173.18976	0.1
295.20743	0.2
391.30164	0.4
407.29538	2.9
408.29843	0.6
409.31134	17.9
410.31461	3.3
453.30090	100.0
454.30429	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	453.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.7
64.64289	0.2
64.88901	0.2
69.63175	0.6
69.63599	1.3
76.49719	0.2
84.25258	0.2
95.24420	0.2
135.08138	0.7
191.38492	0.2
337.17001	0.3
363.26642	0.3
391.29810	0.5
407.29590	2.6
408.29791	0.4
409.31152	16.5
410.31387	3.0
453.29874	100.0
454.30197	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	453.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.1
59.01380	0.1
61.98835	0.3
65.79864	0.1
70.28569	0.2
70.28988	0.4
77.47847	0.1
78.95903	0.2
83.05019	0.3
86.73511	0.1
97.06599	0.3
123.08206	0.6
135.08163	0.6
135.79802	0.1
137.09731	0.2
147.11740	0.1
168.65454	0.1
189.12762	0.1
255.23268	0.2
256.23703	0.5
293.19293	0.1
325.21738	0.2
327.23636	0.2
341.24902	1.5
342.25092	0.2
349.24551	0.1
363.26886	0.2
375.27081	0.3
377.28534	0.3
391.30081	0.4
393.27884	0.7
407.29645	0.5
409.31192	1.4
410.31339	0.3
435.28986	0.1
453.30096	100.0
454.30435	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98821	1.2
71.72261	1.0
81.28399	0.5
97.06609	0.8
323.23788	2.2
324.24286	0.5
356.33102	0.5
363.26965	0.8
379.30173	3.4
389.28278	0.8
391.29984	1.7
407.29465	0.9
409.31201	1.3
435.28958	0.5
453.30026	100.0
454.30313	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	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01384	3.5
61.98834	100.0
62.98554	0.3
62.99253	0.2
67.10338	0.1
71.01392	1.2
71.71677	0.3
72.01749	0.3
72.99352	0.3
73.02968	0.5
83.01431	0.5
85.02975	0.8
86.99863	0.2
89.02476	0.5
101.02474	1.1
103.00385	0.2
111.00898	0.3
113.02491	0.5
114.05624	0.2
119.03719	0.2
119.05041	1.6
121.02975	2.2
125.02464	1.1
135.04593	0.4
137.02521	0.3
147.60756	0.2
151.00459	0.4
153.01949	1.8
154.02354	0.8
158.06120	0.2
161.02531	0.7
161.04626	0.4
163.03989	0.3
167.03583	0.3
181.05165	0.7
187.07729	0.7
188.08067	0.6
189.05565	0.2
204.06779	0.5
208.23462	0.2
208.82794	0.2
217.01471	0.3
238.58897	0.2
257.08282	0.6
258.08551	0.6
337.07248	0.3
392.23724	0.5
408.13806	0.8
433.50327	0.2
452.08884	0.2
452.16360	0.5
452.22446	0.5
453.17575	0.3
453.23022	0.5
457.11853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
56.22803	0.2
61.98839	1.4
67.30414	0.2
69.44432	2.2
78.95914	17.5
96.07205	0.2
102.95943	0.2
122.00150	0.8
122.98656	0.2
125.25355	0.2
134.98540	0.4
140.01210	5.5
152.99626	1.6
196.03838	10.5
197.04207	0.5
214.04887	2.1
237.22214	0.4
251.92686	0.2
255.23302	100.0
256.23639	11.1
374.29269	0.2
379.30048	0.4
452.27826	31.4
453.29730	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	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.8
61.98833	100.0
71.01386	7.1
71.72044	1.0
72.55300	0.9
72.99316	1.6
73.02954	8.3
75.00861	1.2
77.00557	0.9
83.01369	1.7
83.05048	1.5
85.02966	12.1
87.00874	1.1
87.04522	21.3
89.02453	4.8
95.01405	1.9
96.96019	1.4
99.00914	1.4
101.02454	4.7
111.00884	1.6
113.02467	4.6
119.03551	1.7
133.02963	1.4
135.04539	2.2
141.01904	1.1
141.09224	2.9
157.13658	1.0
159.02980	1.9
161.02449	3.4
161.04582	3.5
178.02689	1.3
179.03551	1.7
227.12900	2.4
228.13210	2.0
249.14993	2.7
255.12328	1.7
281.06659	1.4
291.08777	1.3
305.16092	8.0
333.10321	1.2
355.98694	1.3
363.20322	1.6
375.20181	1.7
391.16202	8.9
393.20233	1.8
394.20206	1.1
453.16721	1.2
453.22653	5.6
454.06616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23436	1.7
59.01377	3.0
61.98830	12.0
68.75964	1.8
71.70898	2.6
78.95911	41.5
81.33362	1.8
84.10687	1.9
88.51041	2.1
89.67500	1.8
90.81393	1.7
92.05073	3.1
95.08156	1.8
96.96973	3.7
152.99605	59.3
157.85515	1.8
171.00644	15.4
201.61807	2.2
225.18616	67.9
226.19009	3.5
227.03387	4.9
245.04309	100.0
246.04663	3.7
356.51895	2.3
383.21121	2.0
453.22510	48.4
453.29959	16.5
454.23099	3.9
454.29684	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	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12491	0.2
54.01754	0.2
59.01381	2.2
60.04700	0.2
60.93779	0.2
61.01803	0.5
61.98836	100.0
62.98536	0.2
71.01384	0.2
71.53632	0.3
71.53972	0.4
101.07818	0.2
122.72303	0.2
125.02470	0.2
133.05019	0.2
144.93327	0.2
146.08330	0.5
161.04431	0.2
291.46024	0.2
303.01447	0.2
399.01675	0.2
449.26144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31577	0.1
56.06343	0.1
59.01381	6.0
60.01721	0.7
61.01806	0.8
61.98834	100.0
62.98548	0.2
71.01394	0.6
71.48963	0.3
73.02950	0.2
75.00886	0.2
75.16701	0.1
77.47983	0.2
83.01394	0.2
85.02982	0.4
85.17774	0.2
89.02433	0.4
90.00478	0.2
96.96014	0.2
96.96975	0.2
99.00871	0.3
101.02470	0.5
113.02488	0.2
118.21256	0.1
133.05145	0.3
142.06656	0.3
147.06659	0.3
151.00479	0.2
158.06186	0.2
161.02505	0.5
165.01886	0.3
171.76149	0.2
180.04343	0.3
195.06676	0.5
204.06619	1.4
205.07130	0.2
225.07747	0.2
228.06712	0.2
249.82611	0.2
274.14056	0.2
385.79898	0.2
392.23224	0.3
452.16751	0.2
452.22586	0.3
453.13965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73440	0.1
58.06400	0.1
59.01382	1.6
60.85839	0.1
61.98833	100.0
62.98534	0.2
71.01385	0.5
71.71437	0.3
73.02942	0.2
85.02995	0.2
89.02509	0.2
101.02476	0.3
119.05048	0.4
125.02453	0.3
142.08708	0.1
160.01718	0.3
160.38441	0.1
161.02480	0.6
161.04501	0.2
163.04018	0.4
175.04085	0.3
204.06633	0.2
225.11430	0.2
392.23920	0.3
453.14114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03435	0.1
50.50482	0.1
53.94802	0.1
59.01381	1.5
61.98833	100.0
62.98538	0.2
63.99249	0.2
65.09033	0.1
69.65453	0.6
69.65862	0.2
71.01394	0.4
73.02937	0.2
79.85632	0.1
83.01414	0.2
85.02952	0.2
89.02439	0.3
93.03472	0.1
101.02483	0.3
113.02491	0.2
119.05070	0.4
120.99685	0.2
135.04599	0.2
161.02498	0.3
161.04588	0.1
163.04045	0.2
167.03516	0.1
167.90652	0.1
201.09232	0.1
204.06721	0.2
392.23672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
58.15812	0.2
59.01383	3.1
61.98833	100.0
62.98532	0.3
67.15826	0.2
69.16702	0.2
71.01405	1.1
71.71523	0.4
73.02946	0.4
75.00922	0.2
83.01409	0.3
85.02969	1.0
86.08163	0.2
87.04552	0.7
89.02472	0.9
90.50345	0.2
101.02472	1.2
111.00919	0.4
113.02478	1.0
115.98818	0.2
119.03548	0.5
123.04521	0.3
149.04861	0.2
161.02477	0.6
161.04630	0.5
165.12851	3.9
178.02724	0.2
183.13918	11.3
184.14261	0.5
197.15501	0.6
204.06642	0.5
207.13988	0.4
209.11861	0.6
227.12898	25.4
228.13249	1.7
249.15027	0.6
251.12933	0.7
269.13974	0.4
329.16269	0.6
389.18219	4.7
390.18619	0.4
433.97601	0.2
453.17130	0.3
453.22925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06248	0.7
57.03458	1.5
57.86604	0.7
59.01382	35.0
60.01710	1.8
61.98837	9.1
63.17211	0.7
65.00331	0.7
68.99843	0.8
69.03451	1.3
71.01384	10.0
71.71785	1.2
72.99313	5.0
73.02944	6.0
73.67753	0.5
76.99372	0.6
77.51096	0.5
81.03445	0.6
83.01398	6.8
85.02965	5.0
86.03223	0.5
87.00881	0.7
88.98773	0.6
89.02475	4.1
93.03466	1.3
95.01407	3.3
97.02974	1.2
98.02473	0.7
99.00888	3.8
101.02453	8.4
103.00399	5.1
105.03452	0.8
107.01402	0.7
108.02206	3.5
109.02988	1.0
109.04041	0.6
111.00922	1.3
113.02455	9.7
116.05074	6.7
117.03469	1.5
119.03526	1.7
119.05009	0.7
123.00844	0.6
123.04514	1.1
125.02480	7.1
126.02814	1.5
127.00456	0.7
128.05074	3.3
130.06657	4.6
132.02225	1.1
132.04527	0.8
133.02979	29.0
133.04001	1.4
134.03378	1.4
135.04556	7.2
137.02463	2.4
139.00404	3.1
139.03983	1.3
140.04463	0.9
142.06639	12.9
143.03491	1.9
143.06915	1.1
144.04639	0.8
145.02968	2.5
151.00417	4.6
152.00993	2.5
153.01955	2.1
155.98164	0.6
157.01440	0.8
158.06143	17.5
159.06433	1.5
161.02467	100.0
161.04604	4.2
162.02808	6.2
163.04025	2.2
166.06685	1.5
167.03487	1.3
168.03999	1.2
169.01422	2.2
169.05081	1.3
170.05377	1.5
173.04936	0.6
175.00159	0.6
175.04037	0.7
179.03540	2.9
181.05443	0.6
184.07695	3.5
186.05630	10.2
204.06671	79.8
205.06961	5.6
228.06699	15.4
228.08734	0.9
229.06940	1.0
246.07671	1.0
247.04561	2.4
282.06870	0.8
314.06583	5.0
344.07877	0.7
353.61600	0.6
366.18381	0.8
391.23184	0.6
392.23837	1.0
393.17725	1.0
452.09341	9.4
452.15640	64.4
453.09937	1.5
453.15851	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	452.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20674	0.2
55.01857	0.2
57.03448	0.6
59.01382	4.4
61.98830	3.1
69.03449	0.2
69.77977	1.5
71.01389	4.4
72.99316	0.7
73.02950	1.7
75.00886	0.4
81.03459	0.2
83.01397	1.5
85.02956	2.7
87.83241	0.2
88.98829	0.8
89.02457	0.7
95.01405	0.7
96.96017	0.4
99.00897	1.0
101.02460	3.0
103.00404	0.5
105.03460	0.4
108.02194	1.0
109.02979	0.8
110.03281	0.2
111.00882	0.2
113.69859	0.2
116.05071	1.0
116.13486	0.2
117.03445	1.0
119.05042	0.2
121.03026	0.2
123.04543	0.4
125.02473	1.0
126.02789	0.3
127.00395	0.2
128.05106	0.3
130.06642	0.7
132.02177	1.6
133.02975	32.4
134.03403	1.4
135.04547	7.5
136.04829	0.3
137.02441	0.3
139.00372	0.4
142.06656	1.4
143.03583	0.2
149.13928	0.2
151.00401	0.7
151.04053	0.2
152.01102	0.7
153.01961	1.6
154.02293	0.4
158.06136	2.5
159.02968	0.2
161.02463	100.0
162.02798	5.8
162.04150	0.2
163.04048	0.3
165.05627	0.3
166.06737	0.2
167.03529	0.2
168.04321	0.3
169.01445	0.4
179.03520	3.3
184.07703	0.6
186.05655	1.2
195.06651	0.2
204.06664	9.8
205.07045	1.0
228.06676	1.9
228.08638	0.2
247.04582	0.5
289.10736	0.2
292.12769	0.2
295.44214	0.2
299.08780	0.2
311.08774	0.3
314.06781	0.6
315.07449	0.2
366.76028	0.2
374.13428	0.2
452.15610	59.9
453.09973	0.4
453.15958	9.2
453.23315	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	452.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
59.01381	12.9
60.45668	0.3
69.03465	2.1
71.01390	7.0
72.99320	5.9
73.02953	3.5
75.00871	0.9
81.03454	0.6
83.01395	7.1
83.37457	0.4
85.02958	1.5
89.02428	2.1
95.01409	4.6
97.02959	1.4
99.00896	4.6
101.02465	5.5
103.00381	7.0
109.02969	0.4
111.00916	0.6
113.02464	7.6
116.05079	9.1
117.05422	0.7
119.03548	0.8
119.14207	0.4
125.02467	3.5
127.00391	1.4
128.05080	3.9
130.06641	6.5
131.03499	0.8
131.06987	0.5
132.04587	1.2
137.02437	0.8
139.00403	3.9
142.06645	17.4
143.03505	2.0
143.06921	0.6
144.04578	0.7
149.04640	0.8
155.03566	0.6
157.01492	0.5
158.06137	29.4
159.06444	1.3
159.63429	0.3
160.47260	0.4
161.04578	2.6
166.06639	1.9
169.01306	1.2
172.04161	0.6
184.07677	5.1
186.05623	12.9
187.02527	0.6
187.05978	0.7
204.06674	100.0
205.07007	6.7
210.19763	0.4
214.24265	0.4
220.27031	0.3
228.06682	21.6
229.03508	0.8
229.07034	1.8
229.09026	0.4
246.07687	1.7
247.04539	2.2
272.05630	0.4
314.06711	5.0
344.07599	1.0
360.54626	0.4
434.11075	0.5
452.08771	1.7
454.27667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.00586	0.6
59.01380	19.0
60.01716	0.6
61.98833	100.0
67.01926	0.5
68.99828	1.5
69.03458	0.6
71.01387	9.1
71.28835	1.1
71.29185	0.6
72.01746	0.5
72.99320	2.7
73.02958	1.7
75.00880	6.6
83.01402	1.5
83.05051	0.8
85.02964	9.4
86.03285	0.7
87.00877	3.1
89.02454	2.5
90.94777	0.5
93.03483	1.1
95.01407	1.9
99.00887	3.8
101.02447	2.8
103.00378	1.2
111.00931	0.9
113.02471	9.0
115.00391	0.9
117.01970	1.2
119.05019	2.9
121.02982	1.3
125.02501	2.2
129.01988	1.8
133.03052	0.5
133.06613	0.6
134.03764	1.0
135.04593	0.6
137.02483	0.9
139.07674	15.2
139.08711	0.8
140.08031	0.6
142.06645	0.5
142.94576	0.5
145.02969	1.0
149.02565	0.5
152.89911	0.5
157.01431	0.7
160.01721	1.0
161.02428	2.5
161.04604	0.8
163.04077	1.4
167.03453	0.8
173.05789	0.8
175.02597	1.0
175.04045	1.2
179.03561	0.8
181.05084	0.6
184.04842	0.4
186.04135	0.5
187.03951	0.6
187.07704	2.0
188.08066	2.2
189.05551	0.8
199.81638	0.5
203.03137	0.5
204.06746	1.7
215.07159	0.8
216.07541	0.6
231.05014	0.8
245.09575	0.5
249.06181	10.2
257.08206	1.3
258.08569	2.3
267.07370	1.5
276.11075	0.9
308.83167	0.6
332.08490	0.5
371.13425	0.9
389.14536	58.3
390.14865	7.2
392.10641	0.6
392.23904	0.6
393.25000	0.9
408.13724	2.6
409.14438	0.6
433.38602	0.6
452.12054	1.1
452.16949	1.0
453.17645	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	452.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70227	0.4
55.84160	0.4
59.01382	9.8
68.39786	0.4
69.03464	1.4
71.00962	1.5
71.01385	6.1
72.99313	5.9
73.02951	3.3
75.00865	0.6
83.01397	6.1
85.02962	1.7
89.02451	2.1
95.01406	4.1
97.02972	1.0
99.00908	3.6
101.02452	5.0
103.00391	6.6
107.12534	0.4
111.00861	0.5
112.67833	0.6
113.02467	7.8
116.05081	9.0
116.05904	0.5
119.03524	0.9
125.02464	2.9
127.00383	1.4
128.05096	3.7
130.06641	6.3
131.03581	0.5
132.04588	1.2
132.84567	0.4
139.00400	3.3
142.06645	15.0
143.03525	1.8
143.07027	1.0
144.04530	1.2
149.04555	0.7
150.15358	0.5
151.00331	0.5
155.03568	0.6
158.06140	24.3
159.06473	1.0
161.04608	2.5
166.06651	1.9
169.01479	0.6
172.04027	0.6
183.14717	0.4
184.07716	5.6
185.04614	1.0
186.03967	0.7
186.05623	12.9
187.05983	0.9
204.06671	100.0
205.07036	7.0
228.06676	20.0
229.03580	0.9
229.06993	1.7
246.07751	1.5
247.04477	2.5
281.80963	0.5
314.06735	5.1
315.07101	0.5
344.07877	0.8
362.08566	0.5
452.12125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.4
64.68437	0.2
70.56240	0.4
70.56637	0.4
73.26761	0.2
78.95908	14.1
94.99004	0.2
104.97466	0.6
110.98546	10.9
137.00133	0.3
148.26106	0.2
152.99635	0.3
160.24591	0.2
167.01163	12.2
168.01518	0.3
185.02214	2.9
283.26416	100.0
284.26761	12.2
284.29996	0.5
393.01645	0.2
451.28305	26.8
452.28613	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2856
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
51.70203	0.2
52.27505	0.2
59.01362	0.4
61.98808	0.9
69.70114	0.7
69.70524	1.6
119.19122	0.2
191.53375	0.3
205.52945	0.3
227.00429	0.3
407.29367	0.3
451.28357	100.0
452.28683	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	451.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60934	0.1
61.81547	0.1
61.89066	0.1
61.98844	0.3
64.46102	0.1
70.79572	0.4
70.79939	0.2
116.50815	0.1
199.76561	0.1
222.37463	0.1
283.25546	0.1
325.24100	0.1
391.84360	0.1
447.00052	0.1
451.32156	100.0
452.32492	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3217
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
50.58979	0.2
52.21069	0.2
59.01368	0.2
61.98815	0.2
71.12399	0.4
162.05569	0.2
219.13942	1.3
233.15453	2.4
247.08086	0.2
247.17300	0.2
259.53149	0.3
281.24771	0.3
282.25214	0.2
283.25476	0.5
299.20270	2.3
300.20486	0.4
317.45731	0.2
325.21832	0.3
339.23309	14.2
340.23584	1.6
353.24835	2.5
354.25659	5.6
355.25970	0.9
386.24622	13.1
387.24881	1.7
388.29944	0.2
451.32162	100.0
452.32498	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	451.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33100	0.5
52.03326	0.4
55.01873	1.1
57.03457	0.7
59.01382	100.0
60.01718	1.5
60.40054	0.4
61.98835	41.8
66.84307	0.4
71.01387	16.3
72.99317	2.0
73.02956	5.2
75.00893	0.9
78.91913	0.9
81.03500	0.5
83.01405	2.8
85.02963	8.2
85.06590	0.7
87.00906	1.6
89.02450	5.6
92.18767	0.5
93.03473	1.2
95.01407	1.0
97.02956	0.7
98.19827	0.9
99.00877	3.7
101.02464	14.6
108.02299	0.5
111.00933	2.0
112.01280	0.4
113.02467	8.0
115.00462	0.5
117.03530	0.8
118.98095	0.8
119.03535	2.0
119.05058	1.5
121.02991	0.6
123.04515	0.5
125.02495	2.0
129.01923	0.8
131.07184	1.6
133.03003	1.1
135.04561	2.2
137.02504	0.6
143.03546	1.1
145.03014	1.3
151.00415	1.4
152.00780	0.4
159.03024	1.3
161.02536	3.5
161.04581	9.5
161.05884	0.7
162.02718	0.5
163.04039	1.7
167.03596	1.2
169.01472	1.1
173.00949	0.6
175.03964	0.5
179.03578	0.8
179.05730	1.1
182.05884	0.8
187.07768	0.9
193.07292	0.6
197.08197	0.5
205.03539	0.8
215.07199	1.0
228.04381	0.6
229.18179	1.7
257.08212	1.6
271.05817	0.5
283.02463	0.6
284.03232	0.5
289.06870	1.3
289.16702	0.7
296.05997	0.7
296.56390	1.0
303.21741	0.7
391.23398	48.2
392.23770	6.5
407.13684	0.8
450.63058	1.5
451.08154	0.6
451.16510	1.6
451.25757	1.8
451.32544	1.5
452.17239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2107
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
57.03432	3.7
59.01385	43.8
61.98834	100.0
69.58109	19.5
69.58538	14.1
71.01388	13.8
72.99271	4.1
73.02960	5.6
81.06688	3.6
83.01414	4.6
85.02954	10.5
87.00852	6.0
89.02481	6.6
95.05022	4.1
98.20641	7.3
101.02453	6.2
111.00897	12.4
113.02473	11.4
119.05022	9.2
130.08655	3.8
135.04532	7.7
153.05453	3.4
161.02417	4.8
161.04602	3.7
175.03992	5.4
175.80249	3.8
179.03528	5.0
204.06721	4.0
207.08554	3.5
267.07214	6.4
334.68262	4.0
391.23312	5.9
402.29254	4.2
451.16119	4.2
451.21088	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	451.1248
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
57.03450	2.6
59.01382	1.5
61.98839	0.7
65.00329	0.5
70.41911	1.3
71.01416	0.4
81.03463	5.3
83.01392	9.1
83.01871	0.5
93.03449	0.5
95.05053	0.7
101.02509	0.3
107.01399	0.4
109.02965	5.3
118.88922	0.3
121.02945	0.5
123.04545	36.2
124.04847	1.7
125.02464	36.6
126.02793	1.0
131.07202	0.6
135.04524	2.9
137.06129	0.3
145.02997	0.4
149.01436	0.3
149.02422	2.0
151.00385	1.9
161.06104	0.7
163.04012	0.5
167.03526	100.0
167.37991	0.3
168.03886	4.5
179.02127	0.4
179.03522	2.2
187.04080	1.1
191.03484	1.8
203.07167	0.4
227.07207	0.9
239.03027	0.3
245.08220	2.6
246.08708	0.4
271.06082	5.2
283.47516	0.3
289.07181	78.3
290.07516	8.3
313.07336	0.4
451.10724	0.5
452.18079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33632	0.1
52.23388	0.1
56.80410	0.1
57.03455	0.5
59.01382	2.2
60.01717	0.2
61.01796	0.2
61.98833	100.0
62.98554	0.2
65.00330	0.5
70.90443	0.4
71.01398	0.5
73.01817	0.1
73.02936	0.2
77.22900	0.1
83.01408	0.5
85.02997	0.2
89.02476	0.4
93.03495	0.4
95.01468	0.1
97.03024	0.1
101.02496	0.3
103.02995	0.2
107.01423	0.7
109.02985	0.3
113.02424	0.2
125.02467	2.3
129.56310	0.1
137.02499	0.6
139.03987	0.2
145.52464	0.1
151.00392	3.6
151.01549	0.2
153.01981	0.2
154.09671	0.1
159.03337	0.1
160.04034	0.8
161.02605	0.1
161.04593	0.2
162.04977	0.1
167.03520	0.3
169.01434	1.0
169.05080	0.3
175.00412	0.4
226.15233	0.2
254.38617	0.1
273.36032	0.1
276.36227	0.1
365.18036	0.2
390.21216	0.3
406.18494	0.2
407.19302	0.2
451.08768	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01383	7.4
60.01715	0.6
61.01804	0.4
61.98833	100.0
63.99282	0.2
65.00310	0.3
68.65020	0.1
71.01394	1.2
71.27357	0.4
71.32516	0.1
72.99334	0.2
73.02959	0.3
83.01412	0.7
85.02972	0.5
88.98807	0.2
89.02465	0.7
91.26621	0.2
91.99160	0.2
93.03493	0.2
99.00912	0.4
101.02467	0.6
107.01431	0.4
108.04558	0.3
109.02975	1.0
111.00873	0.2
113.02488	0.5
119.03526	0.3
121.02959	0.3
123.04540	3.2
125.02473	4.9
126.02793	1.4
135.04582	0.2
135.90425	0.2
137.02507	0.2
149.02449	0.5
150.03047	0.2
151.00394	1.6
152.00829	0.5
152.03592	0.5
153.02005	1.2
153.05598	4.1
154.05952	0.2
161.04553	0.3
161.15311	0.2
165.01981	0.2
169.01532	0.2
177.05565	0.2
178.99931	0.5
179.03548	0.3
180.00337	0.2
181.34377	0.2
188.97217	0.2
200.53609	0.2
203.08398	0.2
216.07645	0.3
216.47743	0.2
217.08540	0.2
234.91122	0.2
242.05406	0.2
243.06740	0.2
244.07150	0.4
245.09354	0.3
259.06146	2.0
260.06461	3.5
260.09073	0.3
261.06778	0.3
269.04498	1.1
270.04877	3.4
271.05197	0.2
287.05563	1.0
288.05930	2.6
289.06155	0.2
297.06308	0.4
347.17227	0.3
361.12952	0.2
365.18195	0.5
367.17975	0.2
390.21667	0.3
391.19681	0.2
407.19266	0.5
431.44943	0.2
450.11203	5.0
450.17169	0.3
451.08438	1.3
451.21866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
58.00594	1.7
59.01381	100.0
60.01724	1.3
61.98831	20.5
65.50471	0.4
71.01386	24.0
71.71817	0.5
72.99306	2.7
73.02966	1.9
75.00883	0.5
83.01406	1.3
85.02959	6.3
87.00903	1.8
88.72989	0.4
89.02455	34.5
90.02792	0.5
95.01416	1.4
97.02930	0.4
98.82114	0.4
99.00922	1.2
101.02454	14.3
111.00904	7.2
113.02468	11.5
113.10215	0.4
119.03516	15.3
125.02493	1.6
129.01990	0.8
129.91003	0.4
131.03555	1.9
143.03526	4.3
149.04646	1.7
151.00429	1.9
153.09210	5.3
154.99921	1.4
157.08763	0.7
161.04575	6.6
169.01521	0.9
169.12427	1.3
173.00893	3.1
173.04572	0.5
179.05629	13.2
179.07176	0.9
191.01991	1.4
209.15436	4.5
210.15675	0.5
227.12917	0.9
227.16638	1.2
272.08829	0.4
275.09326	0.8
389.21826	37.1
390.22079	5.3
449.10968	1.4
449.19952	0.9
449.27783	1.3
459.83844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2758
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01872	1.0
57.03434	0.9
58.00583	0.7
59.01383	14.4
60.01692	0.3
61.55028	0.2
61.98517	0.2
61.98828	3.6
63.96216	0.2
64.44667	0.2
67.73505	0.2
69.03452	0.3
70.20617	0.2
71.01389	7.4
71.04488	0.6
72.99313	2.5
73.02952	3.7
75.00848	0.2
83.01397	2.9
85.02965	5.5
86.00111	0.7
87.00888	2.1
89.02451	1.5
95.01401	0.7
97.02966	0.3
99.00873	1.6
101.02463	7.8
102.02827	0.3
111.00897	1.4
113.02462	3.1
115.92123	0.3
116.92909	0.2
129.01984	0.4
133.03036	0.2
141.01962	0.2
145.17937	0.2
151.00340	0.3
158.03735	0.3
159.03076	0.3
161.04575	0.8
165.47940	0.2
172.05109	0.3
173.06123	0.4
174.06822	0.4
175.43359	0.3
186.06827	0.3
187.07672	1.2
201.05548	0.6
201.09033	0.3
203.07162	0.4
211.20584	0.3
214.06319	0.9
215.07098	0.5
223.20613	0.7
229.08727	1.4
230.09413	0.4
239.20264	0.6
241.21739	1.5
247.09856	0.2
258.98621	0.3
259.76620	0.2
269.21249	1.2
274.08432	0.3
287.22290	5.0
288.22681	0.5
327.16083	0.3
389.16086	0.6
389.21344	0.4
395.72733	0.3
407.17188	0.9
431.17108	0.4
431.26636	1.2
432.27249	0.2
449.27570	100.0
450.27917	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	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
58.00587	0.9
58.72898	0.3
59.01382	100.0
60.01721	1.2
61.98836	23.9
63.02414	0.4
65.00325	0.7
67.01912	0.4
69.41672	4.4
71.01389	17.9
72.99335	1.5
73.02956	0.6
83.01408	1.3
85.02956	3.3
87.00910	1.8
87.71214	0.3
89.02456	29.5
90.02785	0.8
90.98611	0.7
95.01419	1.5
98.20653	0.7
101.02460	10.5
101.03078	0.7
106.99760	0.3
107.01409	1.9
111.00896	4.0
113.02470	8.2
119.03526	14.4
121.03006	0.5
125.02481	0.8
131.03542	1.7
135.04546	6.1
135.16403	0.3
143.03542	3.1
149.04568	1.1
151.00400	10.1
152.00793	0.6
153.09230	3.7
161.04576	5.6
173.00977	1.6
173.12051	0.5
179.05643	12.8
179.07184	0.8
180.06078	0.7
191.02068	0.5
198.06813	0.5
198.44640	0.4
204.06670	1.0
209.15497	3.6
227.16451	0.7
255.03166	0.7
256.03473	0.4
271.02420	0.7
272.93985	0.4
287.05612	8.1
288.05942	0.5
300.02826	0.9
301.03448	0.8
301.09930	0.8
302.03461	1.3
303.04129	0.6
350.70163	0.4
389.21826	27.1
390.22137	4.1
449.10297	3.7
449.24023	1.1
450.11142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03455	1.0
59.01380	100.0
60.01718	1.1
61.98832	20.3
65.00327	0.5
66.03498	0.5
67.01886	0.5
69.03458	0.3
71.01388	14.8
71.71252	0.4
72.99306	2.1
73.02955	4.1
75.00886	0.8
83.01408	2.8
84.50010	0.3
85.02959	10.0
86.03321	0.4
87.00898	1.3
87.04530	0.4
88.51374	0.3
89.02454	6.9
89.02992	0.5
89.29014	0.3
90.98653	0.3
93.03468	9.0
95.01434	1.3
96.96046	0.4
97.02972	0.4
99.00916	2.0
101.02460	11.6
102.98617	4.2
107.01424	0.8
110.00121	0.7
110.02522	0.6
111.00900	18.8
111.08185	0.4
112.01243	0.6
112.08697	0.3
113.02469	7.2
113.03237	0.4
114.02865	0.3
117.01971	0.5
119.03532	3.5
119.05054	1.0
120.99667	0.4
123.04595	0.7
124.07710	1.7
125.02483	1.0
129.01965	2.1
131.03554	0.5
134.03717	0.3
135.04541	3.9
136.05005	0.5
137.02469	16.1
138.02873	0.8
138.05481	0.4
139.00417	0.7
143.03535	1.6
145.03020	0.4
149.02518	0.5
151.00403	5.4
151.04079	0.4
152.00981	0.4
153.01997	0.9
153.09270	0.7
154.99898	2.4
155.10867	0.5
159.03064	1.2
161.02473	0.9
161.04584	11.6
162.03282	0.7
162.04930	0.6
163.00621	0.4
165.01979	0.4
165.99065	0.5
166.99918	1.1
167.03575	0.9
173.00929	8.6
173.02342	0.6
174.01355	0.4
174.03209	0.4
179.03555	0.4
179.03952	0.4
179.05643	3.2
179.77002	0.3
180.04309	2.6
181.01538	0.5
181.05048	0.4
185.06085	0.3
187.07730	0.4
191.01976	3.3
191.03299	0.3
191.05646	0.3
193.01476	0.3
195.06641	3.5
199.13402	0.7
204.06670	0.3
205.03606	0.7
209.15524	0.6
213.09183	0.4
215.07216	0.3
224.28023	0.3
227.16626	0.9
231.10356	1.0
249.06218	0.4
254.32646	0.3
255.02982	0.4
267.07309	0.4
269.09338	0.4
272.09015	0.5
275.08987	0.3
286.04651	1.7
287.05621	6.6
287.13974	4.1
288.05984	0.4
288.14447	0.5
301.10010	0.5
301.15393	0.3
302.03534	0.4
311.07782	0.6
329.15329	0.4
371.20764	2.5
372.21460	0.5
373.10153	0.4
373.51178	0.3
389.21808	21.9
390.22128	2.7
449.10355	4.9
449.20581	1.7
449.24677	1.1
450.10635	1.6
468.19705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01382	100.0
60.01711	1.7
61.98837	4.8
69.72857	0.3
71.01392	1.9
71.70634	0.6
72.99331	0.4
73.02969	0.6
73.50228	0.3
74.99152	0.4
75.00861	0.5
83.01411	0.5
85.02975	0.9
89.02445	1.8
89.52618	0.3
95.01399	0.8
96.96041	0.4
101.02457	1.5
108.02235	0.4
109.02969	0.6
109.39527	0.3
111.00926	0.4
113.02488	1.2
119.03595	0.4
123.00941	0.6
123.04553	0.4
125.02464	1.7
136.99181	0.6
137.02460	3.8
138.03255	0.9
139.04066	0.3
143.03644	0.4
146.08308	0.4
151.04079	0.7
152.01131	0.5
152.04825	1.3
153.05600	10.8
154.05977	0.4
158.08255	0.7
161.04645	0.9
165.05653	0.6
167.03606	0.4
167.07202	0.3
171.02969	0.3
175.04269	0.4
177.01915	0.5
179.05606	0.7
181.03423	0.5
184.03848	0.7
186.10149	0.3
197.04639	0.8
209.08279	0.7
212.06908	5.6
218.28596	0.4
221.06839	0.3
227.09261	17.4
227.78317	0.3
228.09552	1.8
235.08435	0.4
259.06204	1.0
287.05765	0.6
389.14618	0.5
394.71396	0.3
449.11853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62249	0.1
55.01851	0.2
57.03451	0.5
58.00590	0.2
59.01382	100.0
60.01711	1.3
61.98835	2.2
69.84728	0.1
69.95988	0.9
71.01390	6.1
71.05038	0.4
71.58779	0.1
72.01736	0.1
72.99329	0.4
73.02941	1.4
75.00454	0.1
75.00882	0.5
81.03468	0.3
83.01405	0.7
85.02958	2.8
85.03432	0.2
87.00896	0.5
89.02451	3.6
93.03515	0.2
95.01416	0.6
97.02972	0.3
98.03896	0.1
99.00903	0.9
101.02457	4.1
101.04009	0.1
107.01392	0.1
109.02976	0.2
111.00883	0.1
113.02470	3.2
116.92883	0.4
119.03528	1.4
125.02455	1.6
127.07681	0.2
129.01994	0.2
131.03531	0.3
134.03781	0.2
137.02480	0.2
137.09770	0.3
139.07703	0.6
140.02983	0.1
143.03555	0.6
147.68092	0.1
149.02466	0.2
150.03203	0.2
151.00450	0.5
151.04112	0.2
152.01219	0.2
153.01927	0.2
153.09265	0.5
155.10794	1.7
159.02982	0.7
161.04578	5.8
162.04913	0.2
165.05638	0.3
173.06142	0.4
178.99867	0.5
179.05649	1.0
180.06142	0.2
205.03242	0.2
209.15584	0.2
215.07228	0.5
216.39223	0.1
227.16574	2.7
227.18710	0.2
228.16832	0.2
243.06590	0.2
244.74960	0.1
249.06206	0.6
259.06097	3.8
259.08655	0.3
259.42911	0.1
260.06436	0.5
267.07208	0.4
283.06091	0.4
287.05600	2.0
301.07193	0.3
389.21826	10.1
390.22171	1.5
421.11786	0.7
431.15952	0.2
433.20947	0.5
449.10880	0.3
449.16791	1.6
449.24078	1.7
450.16876	0.2
450.24557	0.2
469.13953	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51820	0.2
54.05852	0.2
58.47923	0.2
59.01381	6.4
60.01703	0.3
61.98834	100.0
62.98512	0.2
64.33979	0.2
67.01894	0.6
71.01393	1.8
72.01709	0.3
72.99318	1.1
73.02956	0.5
75.00880	0.4
83.01408	1.2
85.02959	4.8
88.98818	0.4
89.02451	0.8
93.03463	0.4
98.20635	0.6
99.00900	0.3
101.02458	1.1
111.00902	26.4
111.08257	0.2
113.02464	0.5
115.25180	0.2
129.01965	1.4
133.02994	0.3
135.04544	0.3
142.06656	1.8
147.04576	0.3
154.99884	3.7
155.07172	0.3
161.02472	0.3
161.04565	0.6
163.85168	0.2
165.05666	0.2
169.01358	0.2
173.00948	10.4
186.05634	0.8
191.05550	0.2
199.06084	0.8
211.13426	1.9
212.13786	2.2
221.08122	0.2
227.07239	0.4
253.09297	0.3
257.17593	0.3
288.08414	0.2
317.19971	0.2
389.16006	0.2
389.21899	0.4
448.16977	0.3
448.21948	0.5
448.27142	0.6
449.09991	0.3
449.27795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.77668	0.5
50.92505	0.6
54.37185	0.5
57.03452	10.5
59.01382	71.0
60.01705	1.7
61.01814	0.5
61.98833	57.2
62.98540	0.7
63.02411	1.1
63.99263	0.7
65.00323	3.4
69.03458	0.7
69.74358	3.6
71.01378	5.8
71.47573	0.5
73.02570	0.5
73.02963	1.9
81.03465	3.2
83.01395	8.4
85.02985	2.7
87.00890	0.9
89.02460	4.1
93.03463	3.0
95.01418	1.2
97.02962	2.0
99.00901	0.6
101.02448	4.0
102.44137	0.6
107.01394	5.8
107.05071	1.7
109.02972	2.6
111.00890	1.2
113.02457	4.0
117.03491	1.6
119.03523	1.4
120.55331	0.7
121.02968	3.8
123.04541	4.9
124.01641	1.6
125.02467	100.0
126.02771	3.8
131.05127	0.8
133.02975	1.9
135.04533	1.2
137.02467	2.2
139.04031	1.8
149.02473	9.2
150.03180	0.6
151.00397	24.9
152.01184	4.7
153.01961	7.5
153.05663	3.4
155.05008	1.0
157.06552	1.2
158.03821	0.8
159.03052	0.9
159.04485	1.3
161.02498	1.3
161.04529	5.8
163.00397	1.8
165.01956	7.1
165.05640	0.9
167.03532	1.4
169.06641	0.9
172.05324	1.9
173.06125	4.4
175.04016	1.1
176.01117	1.8
177.01932	0.7
177.05597	3.6
178.99884	13.8
179.03491	5.3
179.05048	0.6
179.05655	0.6
179.21138	0.6
181.01462	0.8
196.05301	0.7
197.06119	2.2
199.04048	1.2
199.07698	1.6
200.04759	0.8
201.05553	3.5
203.03477	0.8
213.05516	0.8
215.07130	6.5
219.06636	0.7
225.05620	4.2
226.05814	0.7
227.16537	2.2
241.05035	3.2
243.06612	6.8
246.06277	0.6
255.06317	0.7
259.06107	83.3
260.06442	7.3
266.91260	0.6
269.04541	78.5
270.04861	8.9
281.06604	0.5
283.06104	1.2
287.05615	56.5
288.05960	5.2
311.05484	1.7
315.07172	0.7
342.06042	1.8
386.11606	0.8
389.17398	0.7
389.21887	7.4
390.22131	0.6
421.11465	1.8
431.09909	1.1
449.10889	80.6
450.11194	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11241	0.1
59.01381	15.3
60.01728	1.2
61.98833	100.0
62.98528	0.3
69.60365	1.4
71.01384	1.9
72.01726	0.2
72.99306	0.2
73.02948	0.5
78.34132	0.2
83.01395	0.2
85.02973	0.7
89.02451	2.0
90.02817	0.2
95.01443	0.2
97.18916	0.1
99.00919	0.2
101.02466	1.6
102.02811	0.3
111.00899	0.2
113.02470	0.8
116.92883	0.5
117.92908	0.4
119.03543	1.0
122.03757	0.2
125.02486	0.6
131.03566	0.2
134.03798	0.3
135.04561	0.2
135.77113	0.1
147.04504	0.2
149.02458	0.2
150.03271	0.4
161.04587	0.9
162.04907	0.2
165.05605	0.5
167.03549	0.3
175.91530	0.2
179.05678	0.6
180.05974	0.3
191.83774	0.2
193.05165	0.4
298.08456	0.2
307.18832	0.2
341.10498	0.3
361.16635	0.6
387.20239	0.3
388.20630	1.9
389.21521	0.4
405.17917	0.2
407.13770	0.4
449.20364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01381	86.5
60.01720	0.4
61.98833	100.0
69.65951	2.1
71.01389	3.6
73.02950	1.0
83.01381	0.4
85.02943	1.3
89.02435	0.7
95.01363	0.3
97.94225	0.2
99.00896	0.4
101.02468	2.2
113.02465	1.7
125.02431	0.7
143.03421	0.4
159.02960	0.5
161.04588	3.3
199.11790	0.3
227.16328	0.4
259.05984	0.4
267.07068	0.4
269.04337	0.4
287.05438	0.4
295.96149	0.3
385.11087	0.3
389.21869	4.8
449.10406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01381	100.0
60.01694	0.2
61.98833	70.5
65.14813	0.2
70.41325	0.2
71.01388	3.8
71.05623	0.2
71.41563	0.4
73.02955	0.9
83.01373	0.4
85.02953	1.6
87.00890	0.2
89.02431	0.7
99.00904	0.4
101.02452	2.5
113.02460	1.8
119.03509	0.4
125.02457	1.3
126.11171	0.2
137.02364	0.2
142.16386	0.3
159.03004	0.4
161.04584	4.4
163.44183	0.2
170.06123	0.2
179.05602	0.2
227.16325	0.4
239.35887	0.2
259.05884	0.7
269.04266	0.8
287.05249	0.6
337.43347	0.2
389.21838	6.1
445.95401	0.2
449.09985	0.9
449.23648	0.5
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
58.00594	0.3
59.01382	100.0
60.01713	1.2
61.98834	7.7
70.86181	0.2
71.01387	6.5
71.01763	0.4
71.09530	0.6
72.99329	0.6
73.02952	0.5
85.02956	1.2
87.00891	0.5
88.98815	0.5
89.02455	10.8
90.02805	0.2
93.03491	1.0
95.01443	0.5
96.96043	0.2
101.02457	3.7
113.02455	3.1
119.03523	4.2
120.83088	0.2
121.03006	1.0
131.03534	0.7
133.03035	0.5
137.02477	0.6
143.03514	1.6
149.04637	0.3
161.02472	2.0
161.04565	2.1
179.05629	6.9
271.49539	0.2
385.11420	2.9
385.15314	0.2
387.20206	2.1
413.61353	0.2
447.09476	0.5
447.15070	0.3
447.22272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98795	0.4
70.58444	0.5
70.58831	0.5
71.01323	0.2
78.95911	5.6
83.05012	0.2
110.98541	4.8
111.04503	0.4
116.01163	0.2
128.65492	0.2
137.00056	0.3
151.04027	0.4
152.99556	0.4
164.56349	0.2
167.01167	2.4
185.02229	3.5
203.07124	0.4
207.06641	0.6
208.07355	0.4
209.08206	0.3
221.08205	8.0
222.08699	1.0
235.09839	1.0
261.15973	0.2
261.22217	0.6
271.02365	0.3
279.23291	100.0
280.23636	13.1
301.03250	0.3
318.93771	0.2
319.15427	0.6
321.17105	0.5
378.20474	0.7
428.73483	0.2
447.26675	13.0
448.26419	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	447.2601
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01875	0.8
57.03452	1.0
58.00604	0.5
59.01382	15.9
59.58487	0.2
61.98833	6.2
65.07803	0.2
71.01390	9.2
71.71545	0.4
72.99310	1.4
73.02965	3.2
75.00883	0.4
83.01398	2.6
85.02961	4.6
86.00102	0.9
87.00880	0.8
89.02454	2.6
93.03453	0.7
95.01394	1.0
97.02956	0.3
97.88777	0.2
99.00898	1.0
99.54597	0.2
101.02461	8.8
111.00884	0.7
111.04489	0.3
113.02460	3.7
119.03490	0.7
120.31333	0.2
125.02489	0.3
137.02451	2.3
143.03485	0.3
156.55925	0.3
159.03008	0.4
161.04593	0.8
179.05663	0.4
180.16856	0.3
181.15865	0.3
211.13428	0.6
212.13599	0.2
221.08244	1.4
221.19086	0.3
222.08961	0.3
222.84009	0.3
225.15045	0.4
239.20192	0.6
255.02788	0.4
267.19635	2.1
271.02505	0.4
285.20749	4.9
286.21152	0.6
294.38989	0.2
300.02896	0.4
301.03564	0.3
327.21902	0.3
377.62500	0.3
387.20114	0.6
429.24948	1.6
430.25525	0.4
447.26019	100.0
448.26373	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47400	0.3
55.01885	0.7
57.03448	0.9
58.00613	0.4
59.01381	100.0
60.01720	1.4
61.98834	3.8
70.86557	0.6
70.86909	1.0
70.90483	0.3
71.00990	0.7
71.01389	13.5
72.99330	1.3
73.02952	2.9
73.97527	0.3
75.00882	13.8
76.01235	0.3
80.75137	0.3
83.01411	1.0
85.02964	4.3
89.02461	6.9
92.37611	0.4
95.01425	0.9
99.00916	1.3
101.02454	7.6
109.03031	0.4
111.00890	0.6
111.02269	0.4
113.02477	5.9
114.02850	0.4
119.03503	2.7
120.03850	0.3
121.02939	0.5
129.02022	0.5
131.03549	0.4
135.03008	0.6
143.03522	0.8
149.04655	0.3
151.00433	1.5
153.09251	0.4
159.03049	1.3
161.04581	15.7
162.04974	0.7
177.02069	0.5
178.02432	0.5
179.05692	2.1
193.05057	0.4
205.03632	0.5
211.13463	1.1
214.65094	0.4
225.15012	0.9
227.03534	1.4
243.03157	0.8
255.02948	3.5
256.03534	0.5
271.02469	4.0
271.08377	0.3
284.03168	2.3
285.04169	1.5
285.07626	0.3
300.02792	6.3
301.03482	5.4
302.03842	0.6
327.09045	0.4
361.22638	0.4
387.20258	12.0
388.20724	1.7
447.09152	7.9
447.22589	1.2
447.27420	1.1
448.09399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01880	1.7
56.11578	0.1
57.03447	2.1
58.00589	0.6
59.01382	15.6
60.01736	0.2
61.98833	3.4
68.99837	0.2
69.03458	0.8
71.01388	31.7
71.72067	0.2
72.01730	0.6
72.99319	1.5
73.02952	14.7
74.03291	0.3
75.00881	1.0
77.57689	0.1
81.03465	0.5
83.01399	5.2
84.01704	0.2
85.02960	15.9
86.00108	0.5
86.03302	0.4
86.68663	0.2
87.00890	1.7
89.02458	4.8
89.02997	0.3
93.09466	0.1
95.01398	2.1
97.02966	1.7
99.00893	6.4
99.04521	0.3
101.02457	28.3
102.02783	0.7
109.91392	0.1
111.00909	0.9
111.04527	0.2
113.02464	13.6
114.02779	0.4
115.04035	1.0
119.03557	0.3
120.01270	0.9
123.04520	0.3
125.02485	2.1
129.01947	1.0
130.63750	0.2
131.03545	1.1
135.03001	0.4
142.06641	0.5
143.03534	1.8
148.05313	1.0
149.04588	0.5
153.09285	0.2
153.12828	0.7
159.01712	0.2
159.03011	3.5
161.04579	15.6
162.04904	0.7
163.07658	0.9
165.05574	0.2
171.13905	0.2
179.05721	0.2
186.05678	0.4
191.05571	0.3
197.11877	0.3
202.23428	0.2
205.03542	0.6
211.13377	3.1
212.13661	0.2
221.08214	0.6
222.08594	0.2
223.13350	0.3
225.14977	0.5
233.06694	0.9
253.09251	0.4
255.02959	0.3
271.02533	0.3
284.03146	0.2
293.08832	0.3
300.02728	0.5
301.03427	0.4
315.18140	26.5
316.18454	2.7
359.17160	0.4
387.20251	0.3
447.22321	100.0
448.22668	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03451	1.3
58.00592	0.3
59.01383	100.0
60.01731	1.1
61.98834	2.3
71.00747	0.8
71.01393	10.1
72.99345	0.6
73.02953	2.2
75.00889	0.4
83.01405	0.9
85.02954	3.5
87.00889	1.0
89.02460	5.5
93.03500	0.6
95.01422	0.9
95.43594	0.3
97.04107	0.3
99.00909	0.8
101.02461	7.0
111.00906	1.2
112.94172	0.3
113.02470	4.5
119.03545	2.8
119.05050	0.5
121.02888	0.4
123.04591	0.7
125.02503	0.6
131.03503	0.4
133.03009	0.5
133.14951	0.3
135.04611	0.5
137.02477	0.3
137.09755	0.4
143.03555	0.8
144.25473	0.3
147.04613	0.4
151.00528	0.3
153.09283	0.8
159.03098	0.6
161.02539	1.0
161.04573	4.7
163.04060	0.4
165.05644	0.5
177.89226	0.3
179.05698	1.1
181.12431	0.7
183.10367	0.6
207.13931	0.4
211.13496	0.5
221.08250	1.0
225.15015	2.1
234.18379	0.3
250.04900	0.5
255.03079	0.4
256.10193	0.4
267.07324	0.4
284.03052	1.6
284.30508	0.3
285.04086	3.0
310.07645	0.7
339.10361	1.0
361.22565	0.7
364.17966	0.4
375.12344	0.4
387.20288	11.2
388.20694	1.4
403.23770	0.5
431.19281	0.6
447.08569	1.6
447.22461	7.6
447.27536	1.0
448.12744	1.0
448.22458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03462	0.7
59.01379	100.0
60.01717	1.3
61.98831	0.8
64.68831	0.4
70.73473	1.3
71.01383	10.3
73.02942	3.4
74.02483	0.7
75.58044	0.4
81.34170	0.4
82.58282	0.4
83.01411	1.2
85.02964	4.0
87.00932	0.6
89.02449	6.3
95.01401	0.8
97.71894	0.4
99.00910	1.1
100.65481	0.4
101.02453	7.9
105.40868	0.4
113.02464	4.7
119.03519	3.2
121.02992	0.8
143.03539	1.1
149.02490	0.7
153.09282	1.3
159.03040	1.3
161.02515	0.8
161.04576	8.1
161.05853	0.6
162.04965	0.5
179.05664	1.6
188.82755	0.4
189.83235	0.5
204.85403	0.4
207.14006	0.7
221.08267	1.8
225.14990	2.5
259.32523	0.4
285.13556	0.5
290.02869	0.4
299.31485	0.5
343.60968	1.5
387.20258	13.6
388.20721	1.7
403.10373	0.4
431.19632	0.7
447.13284	1.9
447.22559	5.5
447.27615	1.4
448.22882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03451	1.3
58.00592	0.3
59.01383	100.0
60.01731	1.1
61.98834	2.3
71.00747	0.8
71.01393	10.1
72.99345	0.6
73.02953	2.2
75.00889	0.4
83.01405	0.9
85.02954	3.5
87.00889	1.0
89.02460	5.5
93.03500	0.6
95.01422	0.9
95.43594	0.3
97.04107	0.3
99.00909	0.8
101.02461	7.0
111.00906	1.2
112.94172	0.3
113.02470	4.5
119.03545	2.8
119.05050	0.5
121.02888	0.4
123.04591	0.7
125.02503	0.6
131.03503	0.4
133.03009	0.5
133.14951	0.3
135.04611	0.5
137.02477	0.3
137.09755	0.4
143.03555	0.8
144.25473	0.3
147.04613	0.4
151.00528	0.3
153.09283	0.8
159.03098	0.6
161.02539	1.0
161.04573	4.7
163.04060	0.4
165.05644	0.5
177.89226	0.3
179.05698	1.1
181.12431	0.7
183.10367	0.6
207.13931	0.4
211.13496	0.5
221.08250	1.0
225.15015	2.1
234.18379	0.3
250.04900	0.5
255.03079	0.4
256.10193	0.4
267.07324	0.4
284.03052	1.6
284.30508	0.3
285.04086	3.0
310.07645	0.7
339.10361	1.0
361.22565	0.7
364.17966	0.4
375.12344	0.4
387.20288	11.2
388.20694	1.4
403.23770	0.5
431.19281	0.6
447.08569	1.6
447.22461	7.6
447.27536	1.0
448.12744	1.0
448.22458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01381	97.8
60.01724	1.8
61.98829	7.0
71.01390	9.9
71.53905	1.2
71.54244	1.1
72.99290	1.7
73.02969	1.3
75.00892	0.9
77.63256	0.8
83.01375	1.5
83.05025	0.9
85.02954	2.5
87.00896	3.3
88.98824	3.3
89.02452	9.3
93.03468	4.2
96.96033	1.1
97.02963	1.1
99.00909	1.6
101.02461	6.0
108.02247	0.8
108.04541	0.8
109.02999	1.1
111.00932	1.2
111.04523	1.1
113.02462	3.2
115.00359	1.0
116.92843	1.6
119.03560	4.4
119.05030	1.0
121.02975	8.4
122.03307	1.2
123.00940	0.8
123.04546	2.4
124.01640	1.0
125.02474	6.0
133.02995	0.9
133.05064	1.4
134.17006	0.9
135.04547	1.4
136.04105	0.8
137.02461	7.7
138.05588	1.8
139.04057	1.0
139.07663	0.7
143.03540	1.1
149.02373	1.3
149.04475	0.8
150.05608	1.1
151.00395	2.6
151.04025	2.1
153.01968	1.5
153.05609	1.2
153.85313	0.8
158.08189	1.5
161.02495	1.6
161.04550	2.6
162.02827	1.1
164.03551	3.0
165.01959	16.2
165.05591	1.9
166.02545	1.2
167.03477	2.5
169.01399	1.6
169.05128	2.1
172.29182	0.9
174.01689	0.8
175.02486	1.7
177.01871	2.1
179.03632	1.6
179.05663	3.0
180.04298	30.9
181.04837	1.7
183.06616	2.8
192.04303	1.9
193.04979	1.5
195.02992	9.5
195.06645	36.3
196.07053	1.5
197.04515	0.9
207.06648	3.4
209.04541	1.0
210.05339	16.9
221.06473	1.2
221.08330	1.4
225.07697	100.0
226.08057	6.6
281.06726	2.0
285.09879	1.3
285.13330	1.7
405.15894	1.3
446.26205	1.9
447.09525	4.9
447.15326	3.3
447.27231	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	447.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01376	5.5
60.65758	0.4
61.98825	1.3
70.90655	1.0
71.01392	8.0
73.02963	2.8
74.00713	0.9
74.18633	0.3
83.01383	1.0
85.02962	3.5
87.00900	1.1
89.02449	2.3
91.55530	0.4
93.03471	0.4
95.01395	1.6
99.00895	2.7
101.02461	2.9
105.01971	0.4
107.05074	0.6
108.02190	46.3
109.02996	14.1
113.02456	2.9
118.98080	1.7
119.03490	0.4
121.03012	0.7
122.02511	1.0
123.00918	0.6
123.04533	1.3
125.02470	2.7
133.03009	1.0
135.04506	0.7
136.00789	0.8
137.02431	0.6
139.04016	0.7
149.02388	0.6
151.04057	2.1
152.01175	89.3
153.01910	6.5
153.06926	0.4
158.08168	0.3
159.02968	0.4
161.02489	1.4
161.04581	2.1
163.02922	0.4
163.04057	3.3
165.01895	0.5
166.02776	0.4
167.03526	2.7
169.05051	0.5
169.32425	0.4
175.02470	0.4
175.03949	0.5
177.01958	0.7
179.03532	0.6
181.05054	0.9
195.03053	1.0
195.06691	0.4
198.41214	0.4
207.03152	0.5
225.04004	0.4
225.07722	0.6
230.00560	0.4
255.05151	0.4
271.08325	0.8
315.07245	4.2
446.25937	0.6
447.11420	100.0
448.11746	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	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01381	97.8
60.01724	1.8
61.98829	7.0
71.01390	9.9
71.53905	1.2
71.54244	1.1
72.99290	1.7
73.02969	1.3
75.00892	0.9
77.63256	0.8
83.01375	1.5
83.05025	0.9
85.02954	2.5
87.00896	3.3
88.98824	3.3
89.02452	9.3
93.03468	4.2
96.96033	1.1
97.02963	1.1
99.00909	1.6
101.02461	6.0
108.02247	0.8
108.04541	0.8
109.02999	1.1
111.00932	1.2
111.04523	1.1
113.02462	3.2
115.00359	1.0
116.92843	1.6
119.03560	4.4
119.05030	1.0
121.02975	8.4
122.03307	1.2
123.00940	0.8
123.04546	2.4
124.01640	1.0
125.02474	6.0
133.02995	0.9
133.05064	1.4
134.17006	0.9
135.04547	1.4
136.04105	0.8
137.02461	7.7
138.05588	1.8
139.04057	1.0
139.07663	0.7
143.03540	1.1
149.02373	1.3
149.04475	0.8
150.05608	1.1
151.00395	2.6
151.04025	2.1
153.01968	1.5
153.05609	1.2
153.85313	0.8
158.08189	1.5
161.02495	1.6
161.04550	2.6
162.02827	1.1
164.03551	3.0
165.01959	16.2
165.05591	1.9
166.02545	1.2
167.03477	2.5
169.01399	1.6
169.05128	2.1
172.29182	0.9
174.01689	0.8
175.02486	1.7
177.01871	2.1
179.03632	1.6
179.05663	3.0
180.04298	30.9
181.04837	1.7
183.06616	2.8
192.04303	1.9
193.04979	1.5
195.02992	9.5
195.06645	36.3
196.07053	1.5
197.04515	0.9
207.06648	3.4
209.04541	1.0
210.05339	16.9
221.06473	1.2
221.08330	1.4
225.07697	100.0
226.08057	6.6
281.06726	2.0
285.09879	1.3
285.13330	1.7
405.15894	1.3
446.26205	1.9
447.09525	4.9
447.15326	3.3
447.27231	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01005	0.6
54.79996	0.5
55.34553	0.5
59.01370	2.4
63.02398	1.0
64.04153	0.6
65.00326	1.7
83.01389	1.8
87.23662	0.5
91.01900	0.8
98.20618	1.6
103.09973	0.5
107.01403	4.4
108.02182	1.8
109.02961	3.7
113.73827	0.6
116.04906	0.5
121.02967	3.7
123.19087	0.5
135.00874	1.4
148.01700	2.1
149.02493	1.0
151.00397	20.2
152.00764	1.0
163.00404	5.5
164.01149	1.2
169.01471	0.8
178.99899	10.3
182.75655	0.6
183.04518	1.1
187.04001	1.1
192.00812	0.6
199.03972	1.2
201.05606	1.8
211.04057	1.9
226.02629	1.6
227.03528	9.8
229.05080	1.5
239.03474	0.8
243.02989	12.4
244.03387	1.3
245.04555	3.3
254.02190	1.9
255.02991	36.4
256.03470	4.1
267.06024	0.6
271.02469	59.9
272.02927	6.3
273.04013	2.7
283.02496	3.0
284.03250	6.3
285.04007	2.5
299.02136	0.9
300.02762	100.0
301.03503	84.2
302.03845	9.1
447.09326	91.5
448.09622	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	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05650	0.3
59.01382	4.5
61.98834	100.0
62.96407	0.4
62.98553	0.3
71.01396	0.7
77.35918	0.3
78.95914	19.3
89.02480	0.4
96.96973	0.8
111.04558	0.8
113.02493	0.4
132.18031	0.3
138.10612	0.3
149.00110	8.5
152.99638	0.6
158.92569	0.8
179.01160	1.4
179.26752	0.3
182.49899	0.3
205.15932	0.6
211.13406	0.7
221.08186	0.9
225.14998	0.5
234.08464	0.5
263.09445	0.4
264.09680	0.5
300.02887	0.5
318.14291	0.5
387.20325	0.4
400.29211	1.9
402.30920	0.7
417.12213	0.5
431.10327	1.7
446.30399	23.2
447.13455	53.9
447.27133	2.1
447.30569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49018	0.2
59.01384	11.9
65.00327	0.4
67.36684	0.2
68.60326	0.2
69.95932	0.8
69.96346	0.5
73.02955	0.3
81.39616	0.2
83.01404	0.4
85.02971	0.2
89.02451	0.4
93.03474	0.5
98.19836	0.3
101.02435	0.4
107.01422	0.8
109.02948	0.3
125.02432	0.6
125.72001	0.2
132.02214	0.5
135.00929	0.5
137.02486	0.2
143.05016	0.2
151.00386	2.2
153.01923	0.4
159.04587	0.3
161.02419	0.2
161.04587	0.3
163.00354	0.8
164.01247	0.2
167.94144	0.2
169.01465	0.4
169.06616	0.3
171.04433	0.3
174.03265	0.5
175.04091	0.3
178.99892	0.6
182.03601	0.3
183.04521	1.1
185.06073	0.5
187.04057	0.7
193.01265	0.2
197.06059	0.4
199.04083	0.3
200.04785	0.2
204.06720	0.4
211.04013	1.9
213.05554	0.6
222.77690	0.2
225.15012	0.3
227.03511	64.6
228.03867	5.2
229.05025	1.7
239.03508	0.7
240.04115	0.2
241.05038	0.4
243.02995	0.3
255.02986	82.6
256.03543	12.9
257.04462	1.7
269.04382	0.2
271.02499	0.6
283.02438	0.3
284.03265	69.4
285.03973	30.3
286.04343	2.0
299.05881	0.2
300.02725	0.8
301.03403	0.6
327.05090	1.1
387.20331	0.6
446.26282	0.3
447.09335	100.0
448.09653	14.6
469.61804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.6
60.69055	0.3
61.98833	100.0
71.01416	1.2
75.00867	0.5
78.95913	3.0
79.01900	0.5
85.02981	1.0
87.00926	0.5
89.02489	0.6
96.96972	0.4
98.19863	1.3
106.44924	0.4
111.04539	1.1
111.29354	0.4
113.02483	1.1
141.30229	0.3
149.00203	0.4
152.99603	4.7
195.13971	0.4
211.13548	0.5
220.07172	0.6
221.08182	2.2
233.08240	0.4
249.06236	0.6
264.09641	0.4
267.07330	1.3
268.07666	1.1
378.46335	0.4
402.31177	0.5
403.32999	0.4
446.21085	1.7
446.25983	7.3
447.14175	0.8
447.21606	0.7
447.27289	2.1
447.31808	1.6
458.72794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2961
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
57.30614	0.2
59.01382	2.6
61.98841	0.8
62.21939	0.2
62.26093	0.2
70.54797	0.6
71.01407	0.3
71.05045	0.3
79.01913	0.3
89.02470	0.2
97.06621	0.3
98.20602	0.2
101.02460	0.3
111.04551	1.7
112.04854	0.2
116.94776	0.2
121.03071	0.3
123.08256	0.2
198.05495	0.2
219.06743	0.7
220.07495	0.5
221.08327	0.5
231.14078	0.2
233.08310	0.8
252.06145	0.3
263.09216	1.6
264.09787	0.2
289.14633	0.3
314.68225	0.2
317.14175	0.7
319.15540	0.3
326.45389	0.3
333.13568	0.7
333.20569	0.3
337.25388	0.3
351.27084	0.2
353.24756	0.4
353.28723	0.5
355.26575	2.8
355.30313	1.2
356.26828	0.4
356.30862	0.5
359.18674	0.3
361.16574	0.5
365.28522	0.3
369.27911	0.3
371.29581	1.3
372.30118	0.3
373.31448	0.4
376.19211	0.2
379.26736	0.2
381.27847	0.9
383.29541	1.8
384.29956	0.4
397.27786	0.6
399.29105	4.0
400.29529	0.8
401.30649	9.9
402.31110	1.8
443.28040	0.2
445.29813	100.0
446.30164	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
58.46276	0.5
59.01382	6.4
60.99308	1.5
61.98840	4.3
67.64258	0.5
68.99847	0.5
71.01383	1.1
71.70892	0.8
79.01894	1.4
83.05017	0.6
89.02444	1.0
101.02454	0.6
103.83566	0.5
109.02959	0.4
111.04528	5.2
113.02408	0.6
113.06048	0.6
123.95126	0.5
140.78781	0.5
151.04042	0.6
151.11429	0.5
192.07994	0.5
194.31065	0.6
209.08145	0.6
219.06615	3.0
220.07439	1.6
221.08130	1.5
233.08168	2.6
244.01558	0.5
263.09320	5.1
264.09543	0.5
289.14401	1.1
317.14066	3.1
333.13580	1.5
333.20676	1.3
334.14145	0.5
355.26379	1.6
355.30322	1.0
359.18497	0.9
361.16742	1.3
371.29321	0.7
376.18906	0.5
381.27997	0.5
383.25031	1.0
383.29608	15.6
384.30081	2.7
399.28897	2.4
401.30664	4.3
402.30719	0.7
423.53012	0.5
445.24387	4.6
445.30225	100.0
446.30447	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	445.2963
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
57.03466	0.8
59.01382	2.9
60.99319	1.8
61.98845	1.3
71.01390	0.5
79.01910	2.0
85.06615	0.4
106.85063	0.3
111.04532	6.1
120.61698	0.3
121.03010	0.3
145.03094	0.3
149.04828	0.3
151.00514	0.4
157.09541	0.3
179.07173	0.5
189.61137	0.3
194.05969	0.4
195.06706	0.9
198.05339	0.5
205.05096	0.8
219.06628	3.4
220.07335	2.4
221.08247	1.9
222.08908	0.4
229.55267	0.3
233.08209	2.9
235.09921	1.1
236.10347	0.4
247.09778	0.3
250.12119	0.4
252.06546	0.9
263.09250	6.0
264.09720	0.5
265.14664	0.9
289.14600	1.0
289.21863	0.5
299.12775	0.6
317.13943	3.7
333.13345	2.2
333.20874	0.6
334.13898	0.5
359.18903	1.0
361.16440	1.5
376.19174	1.0
381.27750	0.4
381.31897	1.2
383.29602	17.2
384.29938	3.0
397.31433	1.1
399.28992	0.7
445.29910	100.0
446.30215	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27785	0.2
59.01463	1.5
62.63385	0.2
63.10831	0.2
70.87428	0.7
71.01437	0.2
73.32256	0.2
78.11250	0.2
78.95514	0.4
78.96008	4.6
88.05688	0.2
110.14688	0.2
110.98544	4.5
111.04607	0.3
131.66852	0.3
152.99706	0.3
167.01172	1.9
185.02203	4.6
233.22734	0.3
259.20724	0.7
277.21719	100.0
278.22070	11.9
298.86349	0.2
311.36667	0.2
445.23434	8.0
446.24014	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	445.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51696	0.3
59.01189	0.8
59.01523	1.4
61.98935	0.3
71.41201	0.6
78.95570	4.3
78.96086	13.2
79.01643	0.3
79.02036	0.6
85.93018	0.2
94.99211	0.4
100.99241	0.2
104.97615	0.6
109.33883	0.2
110.97887	1.4
110.98738	10.9
111.04713	1.8
127.07833	0.4
137.00204	0.6
152.99796	0.3
166.99870	0.6
167.01169	14.8
177.02121	0.4
185.02213	3.3
195.06750	0.4
203.07486	0.3
219.06612	1.3
220.07494	0.5
221.08174	0.7
233.08318	0.9
233.22758	0.3
235.09772	0.4
236.10368	0.5
249.11176	0.3
251.12259	0.3
252.06508	0.4
259.20697	0.3
263.09125	1.7
265.14386	0.5
275.20261	0.4
277.21722	100.0
278.22070	10.6
278.25180	0.3
289.14520	0.5
317.13992	1.5
333.13358	0.6
333.20468	0.4
334.13705	0.5
376.18250	0.3
444.27838	0.3
445.23526	23.5
446.24280	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.1
59.01381	100.0
60.01718	1.0
61.42632	0.5
68.49190	0.5
69.84906	2.0
69.85328	1.4
71.01389	16.9
72.99311	0.9
73.02985	0.5
83.01398	0.9
83.05032	2.9
85.02970	1.9
87.00900	1.7
89.02455	29.0
95.01385	0.9
101.02455	9.2
113.01313	0.6
113.02460	7.8
119.03518	11.2
119.04310	0.7
121.02996	1.7
131.03542	1.7
138.15495	0.6
143.03551	3.4
149.04581	1.4
161.02509	0.9
161.04588	5.7
162.02814	0.5
179.05632	21.9
180.06001	1.7
199.40945	0.5
205.12459	0.8
296.62753	0.6
445.21100	1.0
445.26077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
58.00602	0.7
59.01384	100.0
60.01716	1.5
61.98836	38.5
62.99633	0.4
69.41970	4.2
71.00995	0.6
71.01391	12.8
72.01740	0.4
72.99305	2.4
73.02966	1.7
75.00900	0.9
79.01917	0.8
82.38013	0.4
85.02959	2.3
87.00885	0.8
89.02460	18.1
94.93913	0.4
95.01410	1.0
99.00919	0.7
101.02464	6.0
102.98631	0.4
106.33958	0.5
111.00925	0.8
111.04543	4.0
113.02483	4.9
119.03535	5.5
119.04987	0.5
125.02499	0.6
129.11964	0.4
131.03529	0.4
133.03001	1.7
134.03886	0.4
135.02998	0.5
135.04578	0.5
143.03545	1.4
145.03035	0.5
149.04590	1.0
151.00473	0.4
161.02481	4.6
161.04633	1.8
179.03441	0.5
179.04210	0.5
179.05653	5.3
192.07950	0.6
205.12233	0.5
209.11856	0.8
219.06641	1.7
220.07382	0.9
221.08215	2.1
222.08896	0.6
233.08279	2.1
235.09839	0.5
236.10243	0.6
255.14198	0.8
263.09274	4.9
289.14420	0.8
315.16306	0.4
317.13892	2.6
333.13358	1.4
333.20694	0.8
359.18582	0.7
361.16550	1.0
376.19138	0.7
385.17056	0.5
386.22263	0.6
445.15121	2.1
445.25952	27.2
446.26303	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
58.00578	0.9
59.01086	1.7
59.01381	26.2
59.86153	0.7
61.98832	11.7
67.01892	0.9
68.99805	2.2
69.03460	1.3
71.00992	1.1
71.01387	20.5
72.99316	6.9
73.02942	1.9
75.00879	21.9
79.01897	2.5
81.49963	0.9
83.01369	1.6
85.02962	25.0
87.00880	8.0
89.02460	5.5
93.03485	1.0
95.01381	5.2
97.02962	1.1
99.00900	12.2
101.02443	1.8
103.00374	2.2
111.00883	2.0
111.04528	11.6
113.01692	1.6
113.02464	29.6
115.00391	2.1
117.01945	2.5
121.02985	1.3
127.34661	0.8
129.01917	2.2
149.51538	0.8
151.00352	1.2
157.01340	1.0
162.88615	0.8
175.02480	3.6
177.12849	3.0
195.13918	90.7
196.14267	6.8
205.05066	1.8
205.07021	1.4
219.06633	4.0
220.07321	2.3
221.08199	2.5
231.05048	2.6
233.08165	5.8
235.09557	1.0
249.06155	26.2
250.06424	1.3
252.06415	1.7
263.09244	10.4
267.07111	4.3
289.14630	1.6
317.13837	5.5
318.14200	1.3
333.13425	3.6
333.20474	1.3
359.18341	1.0
361.16443	2.3
376.18710	1.6
385.18671	1.2
427.19724	4.4
445.20694	100.0
445.26077	47.4
446.20978	13.1
446.26385	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35095	0.4
58.00597	1.1
59.01379	100.0
60.01704	1.1
60.41969	0.4
71.01382	15.4
71.41567	0.4
71.41913	1.0
72.99326	0.6
75.44339	0.5
83.01414	0.5
83.05035	2.9
85.02950	2.8
87.00891	1.0
89.02448	21.6
90.02774	0.6
91.76889	0.4
95.01407	0.6
101.02465	5.5
113.02454	6.0
116.87457	0.5
119.03516	8.4
121.06651	0.5
131.03546	1.0
143.03522	3.9
149.04636	0.9
156.82568	0.4
161.04533	3.6
168.37781	0.4
179.05621	17.4
180.05994	0.6
202.22917	0.4
445.21036	0.8
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
55.01884	1.0
57.03461	0.9
58.00594	1.4
59.01382	100.0
60.01720	1.3
61.98837	6.0
65.32804	0.5
69.66418	3.6
69.66830	1.1
71.01389	26.8
71.68797	0.5
72.01733	0.7
72.99320	1.1
73.02952	4.1
83.01420	1.6
83.65295	0.5
85.02966	7.9
85.03439	0.6
87.00900	1.5
88.98854	0.9
89.02460	23.2
90.02754	0.7
93.03499	0.5
95.01421	2.3
97.02975	1.7
99.00910	2.0
101.02462	17.0
102.02841	0.6
108.05836	0.7
111.04551	0.7
113.02468	13.1
113.06156	0.6
114.55141	0.7
119.03522	8.9
119.74969	0.5
121.03062	1.1
123.04517	0.7
123.08221	0.7
125.02492	3.3
125.06123	0.6
131.03513	0.7
133.03058	0.6
136.05350	0.8
136.83768	0.5
137.02496	0.5
138.06897	4.6
139.07692	2.2
143.03485	2.7
149.02499	0.8
149.04578	1.1
149.99623	0.8
151.07657	6.7
152.04817	0.6
152.08463	10.5
153.09233	26.7
154.09630	1.0
159.03033	2.2
161.02484	1.7
161.04578	14.5
161.05861	0.9
161.09761	0.5
162.04909	0.7
167.03563	1.3
168.00693	1.3
169.01476	0.6
177.01942	0.7
179.05624	9.8
180.05952	0.7
187.11311	0.8
199.22850	0.6
204.07678	0.6
205.12358	10.0
206.12819	0.6
209.11943	0.8
223.13417	14.5
224.13635	0.8
385.18695	26.9
386.19040	4.3
401.14688	0.9
445.09131	0.7
445.26089	4.1
446.26581	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
58.00632	0.2
59.01380	100.0
60.01726	1.3
61.98836	3.8
69.21293	0.2
71.01389	2.4
71.19106	0.6
72.99345	0.2
73.02966	0.7
83.01408	0.2
85.02972	0.8
89.02464	0.6
91.04030	0.6
97.83437	0.2
98.95568	0.2
101.02459	1.3
111.04525	1.1
111.08202	0.3
113.02484	0.7
119.03568	0.2
122.48534	0.2
123.04546	0.3
124.14841	0.2
125.06110	0.3
143.03603	0.3
151.04021	0.2
161.04562	1.8
165.05563	0.3
180.04243	0.3
197.11952	0.8
205.05173	0.2
207.10547	0.2
219.06580	0.2
221.08316	0.6
222.09084	0.4
223.06146	0.3
235.09775	1.7
236.10536	0.5
247.09940	0.6
249.11438	0.5
273.11856	0.2
291.19843	0.7
309.20737	1.9
310.21173	0.3
331.19498	0.2
383.24414	1.9
397.28391	0.2
399.28888	1.1
400.29660	0.3
443.28458	9.5
444.28870	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	443.3172
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
56.60449	0.3
57.03445	0.3
59.01391	0.9
61.98840	2.3
64.32232	0.3
65.70530	0.3
69.39378	3.2
71.01387	0.3
87.04523	0.4
111.04530	1.7
125.06160	0.7
151.04054	0.8
153.09428	0.3
180.04362	0.4
221.08214	0.9
222.09084	0.9
235.09776	5.0
236.10573	1.0
247.09753	0.5
249.11440	1.0
303.16162	0.5
315.15976	0.4
388.38092	0.4
443.31912	100.0
444.32291	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.6
60.01715	0.7
65.41075	0.3
69.77240	1.5
69.77650	0.8
71.01390	0.9
75.00880	12.4
77.33513	0.3
89.02462	0.8
98.20564	0.5
103.00388	100.0
104.00711	1.6
104.03560	1.1
126.76290	0.3
149.21227	0.3
149.22397	0.3
163.30130	0.3
179.05617	0.7
196.51408	0.3
213.22458	0.3
236.62924	0.3
238.89612	0.3
275.70853	0.3
341.10962	2.3
400.30383	0.3
464.75729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27866	0.2
55.01886	0.2
57.03446	0.3
57.32395	0.2
58.00598	0.2
59.01381	5.0
60.56562	0.2
61.98832	0.2
64.59175	0.2
69.39734	2.0
69.40141	0.5
71.01382	3.8
72.99295	0.2
73.02948	0.5
83.01385	0.5
85.02959	1.0
89.02448	2.9
95.01379	0.2
96.14202	0.2
99.00925	0.3
101.02441	2.5
103.00397	0.6
104.73051	0.2
105.03472	0.8
111.04528	0.3
113.02463	1.4
117.03487	0.9
119.03495	0.7
121.05086	1.5
123.04513	0.3
132.02197	1.2
133.02975	29.5
134.03242	1.5
135.04547	9.2
136.04865	0.5
137.02437	0.3
160.01697	0.2
161.02464	100.0
162.02809	6.0
177.01935	0.4
177.05580	0.5
179.03523	6.1
180.03912	0.5
221.04555	0.4
251.05653	0.3
276.97739	0.2
445.13513	67.9
446.13824	9.8
468.48837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03460	1.0
59.01381	11.3
61.98832	100.0
68.90319	0.5
70.57698	0.4
71.01390	8.0
71.32445	0.4
72.99310	2.6
73.02966	1.0
75.00882	9.2
85.02956	9.1
87.00881	3.4
87.64194	0.5
89.02446	2.7
95.01403	2.6
96.96046	1.4
98.20645	0.9
99.00893	4.8
101.02462	0.9
103.00404	0.8
111.04543	0.6
113.02460	10.9
114.02814	0.5
115.00410	0.8
117.01981	1.4
119.05077	0.6
125.02541	0.5
129.01993	0.6
129.09235	58.0
130.09579	3.0
145.03001	0.5
161.02524	0.8
161.04535	0.5
163.04047	0.5
175.02510	1.5
177.60912	0.5
184.80357	0.5
193.07202	0.7
231.05064	1.0
235.09830	1.1
249.06172	6.6
263.13116	0.6
267.07224	1.2
281.14072	0.6
361.15137	1.2
379.16092	81.6
380.16415	8.0
443.19327	3.7
443.28632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03458	3.9
58.00597	0.6
59.01089	0.9
59.01381	15.2
61.98558	0.4
61.98830	5.0
66.97995	0.4
67.01894	1.2
68.99807	1.4
69.03458	1.0
71.01388	16.1
71.05015	1.0
72.99316	5.0
73.02949	1.1
75.00880	17.6
79.01908	0.8
81.03472	0.7
81.85820	0.4
83.01404	1.2
83.05017	0.7
84.02188	0.5
85.02961	42.7
86.03278	0.8
86.16418	0.4
87.00885	8.6
89.02457	4.9
93.03458	0.7
95.01406	4.9
95.05021	0.5
97.02969	1.5
98.19870	1.7
99.00892	9.1
101.02393	0.6
103.00400	1.8
109.02943	1.1
111.00907	1.1
111.04539	3.7
113.02467	26.2
114.02770	0.5
115.00404	2.1
117.01939	2.8
123.04520	1.2
124.94066	0.4
125.06116	4.4
125.09750	0.6
129.01958	1.6
130.99893	0.6
131.03487	0.7
136.84378	0.4
137.09746	0.5
149.13368	3.6
151.04028	6.1
152.04767	0.6
157.01405	0.9
165.05585	1.1
166.02708	0.8
175.02499	2.6
179.03485	1.0
180.04286	6.8
191.10794	0.8
193.12350	20.8
194.12708	1.4
195.06657	0.5
205.05110	0.5
205.07176	1.5
205.16093	0.5
207.05110	1.0
207.06824	0.5
207.10246	1.4
217.08716	1.7
219.10393	0.6
221.08202	6.3
222.08971	3.2
223.06197	0.5
223.09839	0.6
231.05136	1.9
233.08173	1.3
235.09763	71.0
236.10460	22.0
237.10886	1.4
247.09680	4.4
248.10370	0.5
249.06142	29.3
249.11343	6.9
249.18591	1.0
250.06464	1.5
250.11720	0.6
261.11282	1.5
267.07202	52.4
268.07498	3.5
291.12497	0.5
301.14502	0.6
303.16113	1.0
315.15967	0.7
317.17575	1.2
359.18640	0.9
373.20343	0.9
374.20917	1.9
383.17371	0.6
399.29028	1.0
425.18045	0.9
443.19220	53.1
443.28067	100.0
444.19537	8.5
444.28387	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	441.1896
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
53.20860	5.9
57.36593	5.1
59.01382	45.5
60.99295	5.0
61.98838	75.9
69.54078	47.6
71.01386	32.0
72.99318	15.3
75.00881	28.8
85.02967	15.2
87.00908	8.9
88.98826	8.6
89.02482	24.6
96.96036	6.0
101.02487	14.6
107.05058	33.3
109.02974	6.3
111.00924	12.4
113.02476	7.1
115.00357	8.8
119.03574	6.1
119.05044	19.8
125.02475	7.3
133.02977	9.5
137.02454	10.3
149.02487	5.3
150.03215	9.1
161.02458	14.6
163.04030	20.9
165.05600	13.9
174.08856	4.4
179.03595	6.6
193.05138	5.7
195.06673	11.3
196.07030	10.4
197.07141	6.9
207.06873	4.6
219.06587	7.1
318.68317	5.1
326.21313	5.2
350.81406	4.6
351.20230	4.7
398.21497	4.8
427.16324	5.2
441.18967	100.0
441.26541	22.9
442.19302	12.1
442.27182	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	441.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84756	0.4
61.98826	1.1
65.63461	0.4
125.06123	1.0
207.06755	0.5
219.06631	1.3
233.08292	0.7
344.67554	0.4
355.19135	0.5
357.16821	0.5
392.72049	0.4
441.26947	5.9
441.33740	100.0
442.27588	1.1
442.34082	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	441.3374
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
53.55553	0.1
54.34715	0.2
59.38963	0.1
61.09909	0.1
61.98837	0.2
69.53294	0.3
69.53699	1.1
72.94135	0.1
76.67651	0.1
91.05537	0.1
96.96007	0.2
98.20647	0.2
128.85872	0.1
144.35318	0.1
164.12004	0.1
166.71870	0.1
182.25264	0.1
202.08551	0.1
220.18687	0.1
441.33710	100.0
442.34048	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	441.1767
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
54.20289	0.7
55.01880	1.6
57.03447	2.7
58.00595	4.7
59.01380	98.0
60.01722	1.2
71.01386	59.7
71.23794	0.6
71.71227	1.5
72.01729	1.3
72.99304	3.8
73.02962	3.4
78.31985	0.7
83.01406	3.9
85.02962	12.9
87.00896	2.8
89.02453	55.0
90.02795	1.0
95.01376	3.1
95.05025	0.8
95.44326	0.7
97.02958	1.3
99.00903	2.0
99.04549	0.9
101.02456	38.4
102.02840	0.7
109.02960	8.8
111.00867	0.9
111.04570	0.7
113.02464	24.9
113.03249	1.5
114.02876	0.9
119.03524	25.1
120.03910	1.0
121.06625	1.2
122.03798	1.6
123.04515	1.1
124.05358	1.4
125.02477	2.7
131.03549	1.9
133.02985	0.9
133.06615	13.5
134.06972	1.1
135.04536	1.6
137.06119	2.7
139.07669	15.9
140.08037	0.8
143.03539	2.8
147.21500	0.7
149.04601	1.5
149.06059	3.2
151.07680	1.1
161.02460	1.2
161.04570	8.3
163.07722	1.2
169.08673	2.0
179.05646	5.1
187.11382	1.6
202.10069	1.1
204.11595	1.3
205.12338	4.4
217.12375	3.9
219.06656	0.7
235.13402	3.3
330.13205	25.6
331.13928	15.2
332.14380	1.8
332.18204	0.8
362.12311	1.0
390.95456	0.7
397.18765	5.6
430.09045	0.8
441.17661	100.0
442.17984	13.3
442.27023	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	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03449	11.3
57.33938	1.1
57.89586	1.0
58.00584	3.5
59.01379	60.0
61.98832	10.4
69.03485	1.4
69.46677	11.1
71.01389	44.0
72.01752	1.2
72.99310	4.6
73.02938	2.6
74.02485	1.3
75.00866	1.6
79.05577	1.3
81.03458	1.6
83.01406	5.7
83.05028	2.9
85.02964	12.8
87.00898	5.1
88.04078	1.2
88.98824	1.3
89.02456	36.5
93.03438	2.0
93.21007	1.2
95.01401	5.4
95.05008	2.7
97.02960	9.2
97.06631	1.5
98.07284	0.9
99.00883	3.4
99.04514	2.1
101.02453	28.1
105.03419	1.2
107.05043	4.0
108.02196	1.5
109.02304	1.8
109.02970	19.4
109.06572	7.3
111.00893	1.6
111.04532	6.4
113.02460	16.9
115.92072	1.3
119.03531	15.6
119.04997	6.4
119.08698	2.4
121.02887	1.1
121.06611	4.5
122.03747	11.1
123.04558	5.6
123.08218	1.1
123.35445	1.1
124.05328	15.6
125.02447	3.3
125.06116	9.3
131.03517	2.0
133.02985	15.9
133.06651	1.4
134.03752	2.5
135.04535	9.4
135.08165	1.7
136.05264	1.9
137.02473	1.6
137.06094	13.1
139.07675	100.0
140.07997	3.6
141.91425	1.2
143.03525	2.6
145.02969	1.1
145.06494	1.2
147.04478	1.1
147.08163	3.6
149.02399	1.5
149.04562	1.1
149.06093	7.1
151.04022	4.8
153.05583	2.5
160.01651	1.2
161.02472	46.4
161.04568	3.7
161.09714	1.2
162.02785	2.1
163.04034	7.7
163.07669	3.1
163.11232	1.7
165.05498	2.2
167.07185	1.2
168.07953	23.5
169.08748	10.2
171.08147	2.2
173.06183	1.4
175.04007	2.2
175.07565	1.1
175.11333	1.3
177.01952	2.9
178.02693	1.3
179.03467	4.0
179.05656	2.9
185.53497	1.3
187.11314	23.0
189.05568	1.5
189.09183	1.7
190.09950	3.9
199.11252	2.1
201.09161	1.4
202.10042	1.8
205.12357	34.1
206.12659	3.1
207.06676	1.8
217.12297	6.7
219.06656	2.2
224.20729	1.3
229.12427	3.3
231.10182	3.5
235.09834	1.6
235.13405	10.8
249.11293	6.8
250.11574	1.3
261.11307	10.7
271.32520	1.1
273.11313	4.7
279.12375	86.4
280.12772	8.9
285.11319	1.1
291.12476	2.4
303.12289	6.6
321.13724	2.2
323.07629	2.8
331.13998	2.2
354.09317	1.5
355.10327	27.0
356.10675	3.4
373.70184	1.3
389.28403	1.4
397.18726	13.1
398.19022	1.8
441.08954	2.0
441.18127	37.2
441.26410	7.4
442.17932	5.0
442.26654	3.1
468.88058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87825	0.1
59.01376	1.2
61.98833	100.0
62.98539	0.2
65.69460	0.1
69.64600	1.0
71.01389	0.4
74.02487	0.6
99.00900	0.2
101.02449	0.3
104.03154	0.1
109.08351	0.1
113.02440	0.1
129.10381	0.7
132.17639	0.1
133.02991	0.3
135.04517	0.3
145.01483	0.1
145.03043	0.2
153.68169	0.1
158.88876	0.1
160.01698	0.2
161.02362	0.4
171.11449	0.3
177.02042	0.1
178.02623	0.1
179.03433	0.2
180.03970	0.2
206.88721	0.1
242.11932	0.3
276.09628	0.1
281.06332	0.2
282.07068	0.2
340.07880	0.2
341.08316	0.2
343.09152	0.1
376.18854	2.1
378.12857	0.2
438.14236	0.2
438.25943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.322
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
65.01424	0.1
71.05258	0.4
81.70909	0.2
102.60712	0.1
132.73714	0.2
157.29922	0.2
179.09244	0.1
439.32172	100.0
440.32520	19.5
450.63660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98811	0.3
69.41089	1.8
69.84487	0.2
90.32563	0.2
96.96003	0.2
104.84409	0.1
247.91109	0.2
348.89011	0.2
423.29086	3.1
424.29266	0.5
439.32181	100.0
440.32520	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	440.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86379	0.2
55.48720	0.2
59.01381	1.9
61.98835	100.0
62.98545	0.4
65.84971	0.2
71.09483	0.5
71.09818	0.3
83.96504	0.2
85.03017	0.2
97.15094	0.2
110.92485	0.2
131.47029	0.2
162.33011	0.2
208.08524	0.3
237.45259	0.2
253.09990	0.2
283.74832	0.2
371.31351	0.3
423.17609	0.2
441.26657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18673	0.1
53.05987	0.2
59.01367	0.4
61.98830	100.0
62.98542	0.3
65.63251	0.1
70.55343	0.3
70.55741	0.4
72.99306	0.2
82.28489	0.2
85.66586	0.2
89.02475	0.2
96.95978	0.4
96.96987	0.3
101.02499	0.2
139.22284	0.2
197.09303	0.2
200.07265	0.3
203.01993	0.2
212.07283	0.3
234.60437	0.2
277.09415	0.2
323.43210	0.2
325.48615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98832	100.0
62.98540	0.2
70.00091	0.3
70.00504	0.6
71.01370	0.8
72.99319	0.3
73.02951	0.2
83.01417	0.2
85.02979	0.2
88.98811	1.1
89.02469	0.6
96.96045	0.2
101.02469	0.3
113.02471	0.2
125.02466	0.4
129.02002	0.2
131.18190	0.2
133.02968	0.3
135.04539	0.3
145.01535	0.2
147.04503	0.2
161.02454	0.6
163.03986	0.2
165.05559	0.4
177.72372	0.2
179.03514	0.3
179.91908	0.2
187.07770	0.2
195.10226	0.3
203.10799	0.2
204.11191	0.4
215.07182	0.2
230.09126	0.4
232.10698	0.2
258.08493	0.5
276.09570	0.4
289.14914	0.2
318.10809	0.5
341.08386	0.3
348.11719	0.3
375.16571	0.2
378.12814	0.9
379.12631	0.2
381.34079	0.2
438.14975	0.8
439.08954	0.4
439.15027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	1.8
61.98835	5.6
66.87733	0.3
70.62730	0.8
71.01381	1.8
73.02979	0.5
83.01360	0.3
85.02974	1.4
87.04525	40.6
88.04861	1.0
89.02440	0.3
95.44755	0.2
98.60933	0.3
99.00900	0.4
101.02435	1.6
113.02451	0.8
161.04504	1.0
188.04428	0.3
205.89999	0.3
210.33299	0.3
233.15428	2.3
323.62646	0.3
344.91074	0.3
369.43271	0.3
377.21826	2.2
437.24933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.9
61.98840	8.5
63.87883	0.9
68.61900	1.1
71.01390	7.9
71.05035	4.8
71.72279	1.0
72.99310	19.7
73.02956	1.4
75.00870	5.0
78.95905	1.1
79.95763	1.3
83.01438	1.0
85.02958	3.5
87.00887	1.5
89.02449	3.3
95.01427	1.3
96.96027	100.0
101.02454	3.0
101.06082	5.1
109.02957	1.2
111.00874	1.1
113.02454	1.4
116.05080	3.6
119.03570	1.3
119.05076	1.0
121.02961	1.2
122.03770	2.4
123.04561	1.6
129.05667	0.9
130.06631	3.1
133.02963	2.8
133.05099	6.4
135.02960	1.2
135.04561	3.0
137.02449	1.8
142.06644	40.4
143.06995	3.9
144.08205	21.2
145.08522	1.6
146.08253	11.9
147.06670	29.6
149.02481	6.1
150.03264	14.3
151.04013	1.1
153.05786	1.2
154.06650	4.4
156.08191	11.5
158.06139	2.1
161.02469	7.1
161.04648	1.3
164.04799	1.2
165.01939	7.8
165.05582	15.9
166.06630	4.5
168.04712	1.2
168.08170	3.1
170.06157	15.2
171.06552	1.9
172.03929	1.1
172.07689	9.4
177.05582	1.0
179.03487	5.7
180.04311	8.1
180.08220	1.2
181.05235	2.0
182.06136	27.8
183.06372	1.9
184.07680	5.9
186.05640	2.7
188.07202	3.7
194.06104	3.9
195.06636	27.5
196.07761	1.4
197.03087	2.0
197.04842	28.7
198.05600	17.8
198.09261	1.9
200.07201	26.3
200.09117	1.9
201.07439	1.9
208.07666	2.5
210.05560	3.6
211.06328	2.0
212.07196	39.6
213.07529	4.3
214.05072	9.3
216.06587	1.8
218.10310	1.3
221.04539	2.3
224.07138	2.9
226.08730	3.8
230.08134	2.4
232.06090	1.4
236.07034	2.6
237.09773	1.4
242.08276	1.9
243.08752	2.5
244.06146	16.8
245.06358	1.8
251.05641	3.4
254.08235	13.8
255.08521	1.6
256.06274	8.9
259.39459	1.1
262.07162	5.7
272.09241	1.5
274.07178	7.7
276.08832	2.3
281.06653	3.8
286.07248	1.3
298.07138	5.9
304.08231	15.1
316.08377	6.0
331.11844	2.7
341.08771	5.0
358.09497	1.3
391.13931	3.9
438.17267	3.0
439.17572	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83084	0.3
59.01381	100.0
60.01725	1.1
61.18630	0.3
61.98829	4.2
70.09160	1.7
70.42503	0.3
71.01383	2.4
73.02961	0.8
79.46796	0.3
83.01414	0.3
85.02959	1.8
87.04524	43.8
88.04883	0.7
95.01404	0.3
99.00891	0.3
101.02464	1.7
113.02426	0.9
117.74932	0.3
161.04546	0.8
233.15436	0.8
289.16574	0.7
307.17664	1.4
307.20496	0.3
322.34763	0.3
377.21921	2.2
398.87244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59623	0.2
59.01379	1.7
60.01718	0.2
61.01799	0.4
61.98832	100.0
63.99255	0.4
68.51396	0.2
69.76836	1.6
139.18048	0.2
161.02473	0.3
170.03339	0.2
213.09309	0.3
214.74438	0.2
229.08669	0.4
230.43050	0.3
230.78049	0.2
247.58208	0.2
257.08289	0.8
377.12497	0.3
436.15335	0.3
437.14865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1457
Annotation	Cnidimoside A
Peak:m/z	Relative Intensity
52.39177	0.5
57.03428	0.7
57.12414	0.5
58.00592	0.8
59.01383	16.5
61.98834	17.3
68.99808	2.1
71.01383	11.7
71.71477	1.1
71.71841	0.9
72.99306	1.3
73.02950	1.8
75.00869	1.2
79.58005	0.6
83.01404	1.6
85.02949	2.9
87.00878	3.7
89.02454	5.7
94.32996	0.5
94.38576	0.6
95.01412	1.0
99.00886	0.9
101.02461	4.8
106.41624	0.5
109.03004	0.9
111.00863	1.0
113.02455	3.0
119.03543	1.1
119.05024	0.7
125.02443	1.1
129.01901	0.8
130.08803	0.8
132.02194	0.7
133.02971	2.1
134.03752	0.9
135.04538	2.9
137.02458	1.8
145.02921	1.0
146.03773	1.1
147.04607	0.6
149.06064	1.6
151.00403	0.8
158.03748	1.2
159.03412	0.7
159.04558	4.5
160.01724	1.5
160.05116	0.7
161.02484	5.5
161.04538	1.2
161.06049	0.6
161.09821	0.6
163.00323	0.6
163.04027	0.8
164.04813	0.7
172.05331	12.7
173.06114	5.4
174.03230	1.3
174.06706	0.6
175.04060	3.0
177.05490	1.0
178.02710	0.6
179.03519	2.1
179.05664	0.9
183.04533	2.9
184.05237	1.0
185.06111	0.8
186.06856	0.8
187.04164	5.6
187.07672	100.0
188.04590	1.0
188.08014	7.6
189.01981	2.1
189.05605	14.1
190.06093	1.4
196.05128	0.7
197.06079	1.4
198.06880	1.2
199.04045	3.1
200.04807	6.7
201.05589	6.7
201.09247	1.9
202.06360	7.1
203.03537	1.3
203.06943	0.8
203.10837	1.3
204.04254	2.3
211.04100	0.7
211.07713	1.3
213.06035	0.8
213.09242	12.5
214.06273	0.7
214.09543	1.4
215.03572	1.0
215.07132	17.3
216.07565	3.0
217.04985	1.0
221.04491	1.5
227.03506	4.7
227.07088	0.6
228.04294	4.0
229.08678	6.4
230.05798	0.8
230.09053	0.7
231.06638	38.2
231.10272	22.3
232.06969	2.7
232.10669	1.8
244.03673	0.7
245.04546	4.5
245.08142	1.0
246.05193	0.8
247.09489	0.6
257.08191	42.4
258.08591	4.5
271.09714	0.6
273.07684	23.6
274.04883	1.2
274.08038	2.6
275.05981	1.2
275.09238	21.4
276.09436	2.0
280.05942	1.0
281.06754	1.0
299.09164	1.4
301.03494	1.6
303.05280	0.9
303.08746	17.2
304.09094	1.6
317.10269	14.5
318.10736	1.8
323.07837	0.8
333.09808	19.3
334.06625	0.7
334.10217	1.8
340.08127	1.5
347.11359	27.8
348.11639	3.9
359.11179	0.8
377.12436	27.0
378.12860	3.7
393.11975	4.5
409.09494	5.5
419.13367	1.7
435.45291	0.7
437.08945	6.1
437.14700	8.7
437.19827	1.2
438.09357	1.0
438.14935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98832	100.0
62.98559	0.3
63.99253	0.3
64.49933	0.2
69.03452	0.5
69.50211	0.4
69.50611	2.0
71.01402	1.8
73.02937	0.3
75.00905	0.3
83.01389	0.4
85.02956	0.5
89.02441	0.6
90.37324	0.2
97.02938	0.3
99.00874	0.4
101.02464	0.8
113.02474	0.4
117.03436	0.2
121.02979	0.4
123.00929	0.4
124.01725	1.2
125.02499	3.2
125.25021	0.2
126.02846	1.3
129.01945	0.5
132.02197	0.7
133.02972	2.7
134.03728	0.9
135.04578	2.4
137.02484	1.1
139.03993	0.3
143.10837	0.4
145.03023	0.4
147.03001	0.5
148.05354	1.2
149.02557	0.3
149.05733	0.3
149.99606	2.3
150.99973	1.3
160.01692	1.5
161.02463	3.8
161.04526	0.3
162.03047	0.3
168.00662	3.3
169.01016	2.2
173.06088	0.3
177.01923	0.7
177.05602	0.5
178.02719	0.9
179.03552	1.3
180.03838	0.4
201.09167	0.5
203.10797	1.6
213.09114	0.2
215.07091	0.3
221.04521	0.9
229.08728	1.4
231.10254	1.0
245.11887	0.5
247.09673	0.7
250.04483	0.3
251.05569	0.5
257.08191	2.2
272.17944	0.3
275.09274	2.4
280.05826	0.8
281.06668	0.6
292.99680	0.3
317.10321	2.5
323.07681	1.1
340.08047	2.0
347.07230	0.3
347.11374	1.8
377.12451	4.2
436.09549	8.8
436.14301	0.4
436.22876	0.3
437.09494	1.0
437.14612	3.0
437.23898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
61.98835	100.0
71.01392	0.5
73.02972	0.3
77.50582	0.2
85.02971	0.2
98.20660	0.7
101.02455	0.3
113.02513	0.3
122.58643	0.2
132.02226	0.3
133.02988	1.2
134.03827	0.4
135.04539	0.3
137.02504	0.4
148.05394	0.3
152.03981	0.2
160.01723	0.4
161.02472	0.5
177.01993	0.8
178.02766	0.7
179.03583	0.5
180.60677	0.2
214.05141	0.3
220.03864	0.3
221.04625	0.4
230.83206	0.3
230.86168	0.2
250.04880	0.3
257.08456	0.3
275.09039	0.4
280.06046	0.7
281.06705	0.3
302.39017	0.2
340.08154	0.9
356.76999	0.2
377.19644	0.2
437.15091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00833	2.2
59.01379	35.6
71.01376	9.7
72.98926	3.1
72.99313	46.2
73.02971	2.5
75.00875	5.9
83.01398	3.1
85.02956	3.1
87.00864	3.3
89.02476	4.9
101.02452	3.4
105.01942	75.2
106.02198	2.3
111.14607	3.1
113.02459	5.4
116.05048	7.4
119.05055	4.9
125.02482	12.9
130.06635	5.9
134.03755	3.4
134.06123	2.6
142.06644	100.0
143.06963	5.5
144.08208	46.0
145.02985	3.1
147.04532	4.2
149.06155	3.5
150.03305	3.0
152.01112	3.1
154.06631	29.9
156.08249	11.0
158.06104	7.5
161.02429	7.3
162.02908	3.3
165.05519	5.6
166.06693	4.8
169.01379	2.2
170.06165	14.0
172.07680	20.1
175.03951	4.1
181.05345	8.6
182.06129	59.1
183.06436	3.8
184.07642	6.5
186.05611	41.9
187.02534	4.2
187.06136	3.0
187.07683	6.2
188.07176	5.0
196.07663	5.2
197.04799	4.1
198.05620	38.0
198.09253	4.1
199.05991	2.6
200.07187	53.9
201.07442	5.4
201.11316	19.3
204.06639	13.2
206.04495	3.4
210.05615	21.0
211.21455	2.2
212.07121	5.1
214.05009	4.0
215.07159	5.0
216.06619	8.8
221.08817	2.1
226.05174	3.5
226.08810	4.6
228.06592	21.2
229.66763	2.7
230.04584	18.3
231.10214	5.4
240.06631	10.5
242.04539	3.4
244.06107	15.7
248.05600	8.2
252.06657	5.6
253.09131	2.3
257.08157	8.2
258.07639	4.7
262.07239	3.4
272.05646	14.5
288.08887	2.8
290.06750	14.9
300.08456	3.2
302.06564	12.1
304.08322	9.3
305.08704	2.6
314.06766	2.5
332.07639	11.2
349.03723	2.5
350.08585	3.5
377.12280	3.1
399.12698	5.1
400.13333	6.7
436.07001	12.5
436.17633	4.1
437.14865	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	435.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.7
59.01381	100.0
61.98821	8.4
69.89239	7.2
69.89663	5.0
71.01389	61.0
72.99309	4.2
73.02955	2.3
74.02470	1.7
79.20063	1.7
85.02953	8.4
86.72974	1.7
87.00890	4.4
89.02454	92.5
90.02798	2.8
93.42263	1.8
95.01380	3.3
98.32564	1.7
101.02456	31.6
103.05629	1.8
113.02467	27.2
117.03479	2.3
119.03509	42.4
131.03503	4.7
143.03496	10.3
143.04460	2.2
145.02943	9.6
146.03694	2.2
147.04498	2.3
149.02545	3.0
149.04561	3.7
150.03223	7.1
161.02431	7.2
161.04587	16.7
162.03200	12.3
163.03932	2.1
165.05583	15.2
166.05913	2.1
177.05544	8.6
179.05626	61.8
179.07179	3.8
180.04407	3.0
180.05904	3.1
195.06609	7.1
302.79388	2.0
306.07562	2.1
315.03928	3.5
323.91632	2.2
357.11826	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	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03437	2.9
58.00592	0.9
59.01381	28.1
61.98814	2.6
62.45646	0.7
66.61858	0.6
68.99783	0.6
69.03458	1.4
69.59565	5.2
71.01388	14.5
71.06487	0.7
71.85029	0.7
72.99312	6.0
73.02950	2.1
75.00880	15.2
79.61449	0.6
81.03455	0.8
83.01398	1.4
85.02962	21.2
87.00877	6.7
89.02449	6.0
93.03464	3.1
95.01401	4.5
99.00896	10.1
99.08180	4.8
101.02444	4.5
103.00395	1.5
109.02968	1.5
111.00891	1.5
113.02467	21.6
114.98565	0.7
115.00414	1.1
117.01948	2.3
123.04549	6.6
123.08161	0.9
124.04823	0.8
125.02455	0.8
125.09740	1.7
129.01959	1.5
135.04517	1.1
137.02452	5.1
139.11304	1.9
141.09215	2.1
141.12866	1.0
145.02946	0.8
153.05582	6.2
161.02458	1.1
162.89380	0.8
167.10759	0.9
175.02473	2.8
178.99763	0.6
185.11847	48.1
186.12158	2.9
195.10280	9.5
229.08762	4.0
231.05141	2.2
249.06152	17.4
250.06450	1.7
255.06586	2.0
260.67270	0.7
267.07162	3.8
273.07816	1.6
281.06699	9.1
325.19186	0.7
363.76486	0.8
417.17252	1.3
435.18622	100.0
436.18921	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	435.1301
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03449	1.4
59.01379	1.9
61.98837	3.6
65.00311	1.0
65.11326	0.1
68.99822	0.3
69.03461	0.3
69.54728	1.3
71.01389	0.3
81.03467	10.4
82.03806	0.2
83.01387	4.6
83.01864	0.2
85.02961	0.2
93.03471	7.8
94.03814	0.2
95.01408	0.5
95.05051	0.5
98.19868	0.2
99.04528	0.5
101.02461	0.2
102.76819	0.1
107.01414	1.2
109.03004	0.2
109.79147	0.1
111.04537	0.4
119.05047	10.4
120.05394	0.6
121.02975	0.2
121.65830	0.1
123.04543	30.6
124.01711	0.2
124.04866	1.5
125.02464	16.6
126.02807	0.6
135.04543	1.6
137.02435	0.3
145.06609	0.2
147.04543	0.3
149.02467	2.5
151.00386	2.7
153.01956	0.4
161.02466	0.3
163.04007	0.3
165.05667	0.4
166.02760	0.4
167.03519	85.0
168.03865	4.0
169.06630	0.5
171.04559	0.2
179.03520	9.2
180.03935	0.4
187.07684	0.5
189.05615	1.8
191.03479	1.1
211.07707	0.4
214.06519	0.2
229.08740	1.2
255.06602	1.0
256.06912	0.2
273.07678	100.0
274.08017	10.3
297.07654	0.7
315.08844	0.6
435.13107	1.2
435.22397	0.5
436.14252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88536	0.2
55.63203	0.2
59.01383	15.4
60.01721	1.4
61.01814	0.3
61.98835	100.0
62.98536	0.2
68.66056	0.2
69.03454	0.2
69.41115	0.4
69.41531	1.7
69.79713	0.2
71.01417	0.9
73.02961	0.2
75.00909	0.2
83.01402	0.5
85.02969	0.5
89.02467	0.6
89.87939	0.2
95.01417	0.3
97.02983	0.5
101.02468	0.6
107.01419	0.2
109.02950	0.3
113.02486	0.7
121.03004	0.5
123.00922	0.6
123.04560	0.5
124.01659	2.2
125.02467	5.6
133.74020	0.2
135.04565	0.5
137.02518	0.5
148.05338	0.7
149.99602	3.3
151.00383	0.3
161.04654	0.3
163.07698	0.4
167.03497	1.4
168.00665	5.6
169.01479	0.4
178.66174	0.2
179.03525	0.3
203.85231	0.2
209.08302	0.3
210.12273	0.2
217.01445	0.2
229.08789	0.3
271.04611	0.2
273.07693	0.9
314.39020	0.2
341.06586	0.5
374.22757	0.2
417.08328	0.5
434.11554	0.2
434.17383	0.2
434.24939	0.2
435.09232	9.4
435.22302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84826	0.2
56.99352	0.2
57.36736	0.2
59.01380	5.1
59.64790	0.2
60.01715	0.7
61.01813	0.2
61.98831	100.0
62.98516	0.2
63.08608	0.2
70.87491	0.6
71.01384	0.3
94.06286	0.2
101.02496	0.3
125.21755	0.2
126.31834	0.2
151.00420	0.3
153.01952	0.8
177.01976	0.3
272.06552	0.2
369.23260	0.2
435.18674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01376	11.2
60.01725	0.5
61.01827	0.5
61.98831	19.8
65.84339	0.4
69.03458	3.7
69.41117	4.2
71.01383	1.6
72.86593	0.4
73.02952	0.6
79.01920	0.4
80.35843	0.4
81.03474	1.3
83.01388	2.2
85.02970	1.2
89.02438	0.4
95.01402	1.4
97.02972	3.0
98.20630	0.8
99.00871	0.4
101.02470	1.6
107.01403	1.6
108.44575	0.4
111.00892	0.5
113.02483	0.9
121.02971	8.1
121.03831	0.5
123.00896	6.9
124.01680	19.7
125.02464	54.0
126.02805	2.0
133.02904	0.6
135.04530	1.1
136.01736	0.6
137.02446	2.7
148.05330	1.8
149.02464	0.6
149.99600	33.8
151.00427	3.5
161.02449	2.1
161.04588	0.7
163.07697	0.9
167.03508	1.4
168.00658	62.0
169.01385	7.2
179.03532	0.9
273.07635	0.4
313.05765	2.3
417.08188	3.4
435.09299	100.0
436.09625	13.3
436.14688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0937
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
52.99026	0.3
59.01381	13.8
60.01715	1.1
61.01826	0.4
61.98832	23.6
66.71774	0.3
67.01908	0.3
69.03456	3.7
69.41313	2.6
69.41737	0.8
71.01385	2.6
71.12386	0.3
73.02930	0.6
75.05494	0.4
81.03475	1.3
83.01407	2.3
84.37066	0.3
85.02960	1.4
87.00915	0.6
87.73235	0.3
89.02422	0.4
91.93027	0.3
93.03423	0.5
95.01398	1.6
97.02959	2.8
98.19899	0.6
101.02471	1.6
107.01396	1.2
108.02200	0.6
109.02978	1.0
111.00928	0.4
113.02488	1.0
119.05036	0.4
121.02973	7.1
123.00893	6.7
123.01729	0.5
123.04535	0.5
124.01688	18.7
125.02467	53.8
126.02823	1.7
127.00399	0.5
135.04549	0.9
136.01620	0.5
137.02475	2.4
148.05333	2.6
149.99608	33.1
151.00417	3.4
159.03081	0.7
161.02466	1.7
161.04579	0.5
163.07652	1.2
166.99924	0.5
167.03528	1.4
168.00661	63.7
169.01398	7.2
179.03490	0.7
179.28867	0.3
186.83492	0.3
188.24506	0.3
193.01495	0.4
198.50798	0.3
199.13350	0.8
250.79308	0.3
271.04547	0.8
273.07419	0.5
313.05902	2.2
323.07657	0.4
341.06598	0.4
374.22998	0.4
417.08221	3.8
418.08908	0.4
435.09286	100.0
436.09653	14.0
439.99533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92086	0.1
59.01381	6.4
60.01701	0.7
61.01784	0.3
61.98833	100.0
62.98545	0.2
63.02391	0.3
65.00322	0.9
66.00680	0.2
69.03461	0.2
71.01379	1.3
71.71301	0.3
73.02975	0.2
75.00884	0.2
81.03457	0.2
83.01378	0.7
84.01730	0.3
85.02986	0.5
87.00916	0.2
89.02452	0.9
93.03482	1.4
94.03796	0.3
99.00864	0.2
101.02456	0.9
107.01419	1.4
108.01727	0.4
108.77307	0.1
109.02975	1.1
113.02492	0.6
119.03639	0.2
119.05045	4.8
120.05385	2.7
121.02985	0.3
125.02518	0.3
135.00845	0.2
135.04544	0.3
136.04076	0.2
137.02495	0.5
139.04034	1.0
149.02412	0.2
150.28592	0.1
151.00391	5.5
152.00713	2.5
152.04874	0.1
153.01958	1.8
161.04643	0.2
165.02039	0.3
167.03578	0.2
169.01529	0.3
169.05074	1.2
175.00470	0.3
176.00705	0.2
177.02003	0.7
178.02278	0.3
185.06004	0.2
185.11861	0.3
185.60454	0.1
193.01410	0.2
195.06244	0.2
271.06128	6.3
272.06448	13.6
273.06735	1.3
281.06778	0.3
314.07651	0.3
341.06622	0.2
434.11032	0.9
434.24927	0.2
435.09302	0.4
435.18875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40582	0.2
59.01382	1.7
61.98835	100.0
62.98558	0.2
67.62460	0.2
69.69932	1.3
74.09599	0.2
85.02953	0.2
101.02493	0.2
118.49229	0.2
125.02507	0.2
141.47842	0.2
167.03484	0.3
209.04689	0.2
311.56323	0.2
315.08765	0.8
345.10013	0.3
350.87775	0.2
372.16629	0.2
408.19812	0.2
415.88208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32366	0.2
51.27156	0.2
55.01897	0.3
57.03447	0.5
58.00628	0.2
59.01381	28.3
60.01716	2.2
61.01820	0.3
61.98834	100.0
71.01392	2.3
71.03882	0.4
72.99315	0.4
73.02953	0.3
74.02449	0.2
75.00862	0.2
78.88334	0.2
81.03471	1.1
83.01381	1.0
83.05019	1.3
85.02953	1.0
86.03310	0.2
87.00905	0.5
88.98820	0.3
89.02455	0.9
93.03476	0.9
95.05091	0.2
99.00899	0.6
101.02462	1.7
109.02977	0.3
111.00878	0.3
113.02465	0.8
113.19915	0.2
115.00433	0.3
119.03497	0.3
119.05044	1.1
121.06640	0.2
122.03763	0.2
123.04550	3.3
125.02473	2.2
125.33997	0.2
128.03548	0.4
133.02972	0.6
135.04527	1.5
137.02429	0.2
143.04590	0.4
145.02876	0.3
148.05338	0.3
151.00351	0.7
161.02516	1.4
161.04533	0.6
162.04948	0.2
165.05588	0.2
167.03517	8.5
167.84111	0.2
169.01447	0.3
170.03484	0.2
175.02455	0.3
177.05559	0.7
179.03552	2.3
189.05627	0.3
199.13364	0.3
221.04561	0.9
229.08687	0.3
231.26433	0.2
237.11331	0.4
251.05585	0.9
255.06409	0.4
264.60422	0.2
272.06232	1.1
273.07681	9.6
287.07260	0.2
315.08801	0.3
323.07593	0.4
345.09677	0.3
373.22021	0.3
374.22592	1.7
393.21475	0.3
398.15302	0.3
434.11505	0.3
434.17252	0.3
434.24591	1.1
435.13092	0.3
435.22189	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	434.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25011	1.4
57.03473	1.3
59.01383	11.1
60.63673	1.0
61.98833	100.0
68.95749	1.0
68.99816	1.1
69.03419	1.0
69.88120	7.7
71.01385	9.2
72.99323	3.2
73.02960	2.4
75.00884	11.6
83.01427	1.2
85.02958	10.1
87.00887	2.8
89.02457	2.2
94.11895	1.3
95.01410	2.9
99.00906	3.9
113.02468	10.4
117.01957	1.3
121.02975	46.6
122.03327	1.4
137.02524	1.2
175.02534	1.8
231.05095	2.1
249.06169	32.2
250.06531	1.5
274.99100	1.2
371.09839	89.7
372.10144	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	434.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34459	0.9
55.01860	1.3
57.03442	2.9
59.01378	23.2
60.26292	1.0
61.98832	100.0
62.31302	0.9
67.47607	0.9
68.99787	1.2
71.01393	13.9
72.99307	4.1
73.02944	2.9
74.02455	1.2
75.00881	9.5
85.02959	17.5
87.00900	8.9
88.14300	1.0
88.98789	1.5
89.02436	6.3
93.03471	1.2
95.01398	3.6
97.02953	1.1
99.00893	8.3
101.02444	3.5
103.00442	1.8
108.02167	0.9
111.00858	1.5
113.02466	14.9
115.00405	1.9
117.01929	1.1
121.02975	56.2
122.03271	2.1
125.02419	2.7
129.01956	2.6
135.00734	1.0
135.04527	1.8
137.02420	1.5
141.01871	1.3
142.06635	2.1
142.99883	2.8
143.04636	0.9
149.02293	1.1
153.01929	1.3
161.02470	1.8
165.01956	1.8
165.05450	1.1
166.06664	1.2
166.21704	1.0
175.02368	1.2
177.01982	1.3
179.03531	1.8
181.75079	1.1
182.96164	1.0
184.07735	1.5
190.74403	1.0
204.58290	1.1
209.06642	13.1
231.04962	1.3
238.91768	1.1
249.06143	10.8
254.21504	1.0
272.05673	4.8
280.74921	1.1
299.05615	3.1
317.06802	1.6
334.44699	1.1
345.06110	3.6
351.93405	1.2
371.09842	88.5
372.10236	10.8
374.08966	1.1
375.16312	1.3
434.10916	11.4
435.09875	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	434.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38263	0.3
59.01375	1.8
61.98833	100.0
64.54942	0.3
70.03688	1.5
71.01382	0.3
97.04129	0.2
100.00428	1.0
159.03276	0.3
193.02946	0.7
202.43289	0.3
214.72865	0.3
434.22247	0.5
434.28271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35256	0.3
57.18380	0.3
59.01381	25.0
60.01722	3.5
61.01807	2.5
61.98833	100.0
68.36771	0.4
69.69324	1.3
69.69747	1.1
71.01390	2.9
72.01733	0.4
72.99306	0.4
73.02968	0.5
83.01396	0.4
85.02987	0.9
86.03394	0.3
87.00906	0.5
89.02457	2.3
90.02821	0.4
95.01498	0.4
95.99822	0.3
100.08244	0.3
101.02489	1.5
106.65074	0.3
111.00948	0.4
113.02470	1.4
119.03484	0.7
137.02513	0.6
151.16525	0.3
161.04572	0.5
165.02042	0.4
179.05685	0.5
185.11877	0.5
229.08759	0.9
256.03384	0.7
268.44897	0.3
271.02527	0.8
272.02927	1.3
272.06488	0.3
300.02808	0.7
301.03146	2.9
302.03925	1.2
374.22797	0.5
434.07761	2.5
434.17212	0.6
434.24490	0.6
435.08804	0.5
435.18494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03433	0.3
58.00602	0.7
59.01383	100.0
60.01703	1.3
61.98835	7.6
69.36280	2.5
69.36699	0.7
71.00991	0.5
71.01391	9.3
72.99336	0.5
73.02951	1.7
77.34756	0.3
82.51548	0.3
83.01424	0.8
85.02962	2.5
87.00891	0.5
89.02457	7.5
95.01450	0.3
99.00916	0.6
101.02466	7.4
113.02469	4.3
119.03515	3.1
131.03552	0.4
143.03561	0.8
159.03027	0.6
160.85181	0.3
161.04591	6.6
179.05545	1.5
185.11887	1.0
187.52229	0.3
211.16956	0.3
317.11462	0.3
373.22324	30.3
374.22662	3.9
420.93225	0.3
433.11786	0.4
433.24213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03071	0.3
56.69878	0.3
59.01381	100.0
59.26957	0.3
60.01718	1.4
61.98831	1.3
69.14256	0.3
71.01392	2.4
73.02975	1.0
85.02979	1.3
89.02483	0.9
95.01392	0.3
98.20732	0.7
101.02458	2.4
113.02470	0.8
138.02353	0.3
155.02797	0.4
159.03008	0.4
161.04579	2.0
188.81317	0.4
203.32231	0.3
373.22385	4.3
374.23267	0.5
433.24692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01384	4.0
61.51201	0.3
61.98831	1.5
71.70586	0.6
75.81287	0.3
117.03485	15.7
118.03810	0.9
119.05045	24.5
120.05388	1.1
121.03008	1.6
133.02963	0.5
145.02975	100.0
146.03313	4.9
149.02458	0.3
154.17195	0.3
163.04028	19.3
164.04356	1.0
167.81166	0.3
191.85118	0.4
211.70236	0.4
269.21201	2.0
287.22290	7.6
288.22705	0.8
415.24707	0.7
433.25974	42.8
434.26349	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	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76564	0.2
57.03452	0.3
58.00616	0.3
59.01383	100.0
60.01721	1.6
61.01827	0.2
61.98836	17.4
65.00330	0.3
71.01390	4.5
71.01762	0.4
73.02969	1.3
74.93162	0.2
83.01426	1.0
85.02955	1.7
89.02473	1.2
93.03471	0.3
95.01423	0.4
99.00883	0.4
100.93375	0.2
101.02464	3.0
106.09639	0.2
107.01426	0.7
113.02479	1.6
119.03544	0.6
119.05033	1.5
125.02465	0.3
135.04684	0.2
143.03534	0.4
149.06044	0.2
151.00398	2.8
159.03070	0.3
161.04584	3.1
167.03645	0.2
177.01971	0.2
179.03546	0.3
187.07767	0.4
189.08429	0.3
200.38802	0.2
209.11908	0.4
229.33446	0.3
231.06694	0.4
233.07272	0.3
241.22980	0.2
271.06122	4.1
272.06497	0.5
331.17682	0.5
373.22330	6.7
374.22699	1.1
389.11578	0.4
409.23761	0.2
433.11588	1.0
433.25470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01716	1.4
61.98834	19.0
68.38063	0.2
69.68914	1.8
71.01388	2.8
73.02962	1.0
74.28359	0.2
83.01422	0.4
85.02966	1.5
89.02468	0.8
92.24947	0.3
99.00914	0.3
101.02457	1.9
108.21593	0.2
113.02465	1.3
119.03526	0.4
128.48083	0.2
135.69926	0.2
151.00375	0.2
161.04582	2.8
179.05666	0.2
211.17024	0.3
271.06186	0.8
373.22342	4.2
374.22748	0.7
417.21423	0.3
431.10892	0.2
433.11594	0.3
433.24503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03071	0.3
56.69878	0.3
59.01381	100.0
59.26957	0.3
60.01718	1.4
61.98831	1.3
69.14256	0.3
71.01392	2.4
73.02975	1.0
85.02979	1.3
89.02483	0.9
95.01392	0.3
98.20732	0.7
101.02458	2.4
113.02470	0.8
138.02353	0.3
155.02797	0.4
159.03008	0.4
161.04579	2.0
188.81317	0.4
203.32231	0.3
373.22385	4.3
374.23267	0.5
433.24692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01383	100.0
60.01717	1.3
64.70351	0.4
66.41649	0.4
71.01387	4.1
71.71535	0.7
72.99353	0.5
73.02964	1.1
83.01401	0.8
85.02979	2.3
86.50709	0.5
89.02490	1.2
99.04499	0.5
101.02455	2.6
113.02495	1.8
119.03551	0.5
125.02475	1.4
137.02446	0.5
144.51765	0.4
161.04593	2.0
167.03494	0.4
175.40936	0.4
179.05600	0.4
187.53172	0.4
247.05800	0.4
267.07468	0.4
300.02869	1.0
373.22476	3.8
374.22681	0.7
386.03122	0.4
401.12640	0.9
433.24609	2.8
455.53156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03448	3.7
58.00591	0.8
59.01379	26.2
67.01877	0.8
67.55822	0.5
68.99809	1.0
69.03463	1.3
71.01389	19.6
71.67886	0.5
72.99318	5.2
73.02944	1.7
75.00882	18.7
77.99618	0.6
78.17538	0.5
81.03433	0.6
83.01402	1.4
85.02959	19.5
87.00883	6.1
89.02455	6.5
93.03452	1.2
93.07104	1.0
95.01407	5.4
97.02976	0.9
98.19833	1.4
99.00904	9.1
101.02470	3.1
103.00351	1.5
107.01426	0.6
111.00951	0.9
113.02468	24.5
114.02798	1.0
115.00368	1.9
117.01978	2.6
119.03503	1.3
119.05020	0.8
121.10264	4.6
129.01949	1.9
130.72272	0.5
139.00407	0.8
139.07616	0.6
150.29018	0.5
151.00377	1.8
157.01433	1.0
159.63405	0.5
161.04536	1.4
165.09229	4.8
175.02480	3.2
179.05507	0.8
183.10278	20.5
184.10602	1.1
189.04044	0.7
205.07195	0.9
218.56491	0.7
230.39087	0.7
231.05095	2.1
249.06158	24.0
250.06421	1.7
267.07193	4.9
269.07538	0.8
271.06067	3.7
290.36212	0.6
345.19116	0.6
373.14948	0.6
382.34198	0.6
414.95566	0.7
415.16095	3.0
433.17136	100.0
434.17487	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	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03443	3.6
58.00583	1.1
59.01379	37.0
61.98798	1.0
67.01869	1.0
68.99802	1.0
69.03435	1.0
71.01387	28.2
71.11243	1.7
72.99312	6.0
73.02605	0.5
73.02946	4.7
75.00880	19.4
75.01501	0.8
81.03462	0.7
83.01358	2.0
85.02958	26.5
86.03284	1.0
87.00877	8.3
89.02013	0.8
89.02454	9.9
93.07061	1.2
95.01393	6.4
97.02931	0.8
99.00892	11.1
101.02452	5.8
101.17888	0.6
103.00363	2.2
108.02181	3.0
109.02919	0.8
110.93473	0.6
111.00867	1.0
113.02463	32.1
114.02791	0.7
115.00338	1.9
115.03960	0.8
117.01911	2.1
119.03467	2.2
121.10279	4.9
122.10508	0.6
123.04483	1.6
125.02431	1.0
129.01900	2.1
131.03455	1.0
137.02409	1.3
138.06760	0.7
139.07623	1.2
145.05086	2.9
152.01186	3.6
153.09100	2.1
157.01392	0.9
161.04584	3.5
165.05568	0.8
165.09233	4.3
167.02385	0.7
167.03505	8.4
175.02463	3.9
178.97212	0.6
179.05582	0.7
181.84425	0.8
183.08682	1.3
183.10271	22.0
184.10529	1.4
193.03459	0.8
201.05449	0.8
204.06480	0.9
205.07051	1.5
225.15001	5.6
231.05122	1.3
249.06110	9.4
253.14360	0.8
267.04657	1.1
267.07205	10.4
323.00647	0.6
387.20209	6.1
389.11310	0.7
415.15671	2.8
433.16742	100.0
434.11490	1.2
434.16907	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	433.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74682	0.8
55.01892	1.2
57.03434	1.1
57.12495	0.8
58.00583	1.1
58.30291	0.7
59.01378	100.0
65.00320	1.2
69.03458	1.4
71.01384	21.8
71.05039	0.8
72.99297	2.5
73.02943	2.6
75.00874	2.2
77.45120	0.7
80.40999	0.7
81.03477	1.6
83.01392	2.1
85.02946	10.1
87.00865	1.8
87.04504	1.4
89.02449	17.4
93.03465	2.9
95.01405	2.8
97.02950	2.6
99.00903	2.3
101.02450	13.0
105.03493	0.8
107.01393	2.1
109.02962	2.0
113.02466	10.4
119.03528	7.8
119.05037	12.3
121.02973	2.6
123.00877	1.3
123.04582	3.7
125.02450	10.4
125.99573	1.8
137.02431	8.4
137.99606	2.2
139.00394	0.8
141.01962	1.2
143.03467	1.7
143.05077	1.3
145.02968	1.6
149.02437	1.9
151.00375	6.5
153.01971	1.6
153.05589	24.2
153.99077	2.1
154.05882	1.7
155.03517	2.1
159.10275	1.1
161.04623	6.2
161.05789	1.2
163.00340	2.1
163.04106	0.9
165.01981	3.7
167.03548	3.0
179.05612	3.0
183.10274	2.2
193.01442	8.8
196.03859	1.5
207.02975	0.9
209.04520	1.0
211.06122	94.7
212.06468	6.2
227.07240	1.2
229.66203	0.9
253.07172	1.3
269.08347	1.1
271.06119	2.8
271.19131	1.1
272.05661	0.9
313.07159	35.3
314.07495	5.4
321.15518	2.0
343.08273	8.8
344.08496	1.6
345.19098	1.6
363.20322	1.7
433.11261	6.5
433.16940	5.5
433.24734	15.3
434.11288	2.6
434.24850	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	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
59.01384	30.5
60.01718	1.8
61.01817	0.6
61.85902	0.2
61.98835	100.0
71.01382	1.8
71.72130	0.3
72.99332	0.3
73.02941	0.3
83.01404	0.3
85.02945	0.6
89.02468	1.4
99.00870	0.5
101.02483	0.9
113.02494	0.8
113.96965	0.2
119.03543	0.4
125.02505	0.3
128.08592	0.2
128.19171	0.2
128.97142	0.2
135.04510	0.3
161.04590	0.7
173.56741	0.3
179.03587	0.3
197.11951	0.5
271.06125	1.0
306.83295	0.3
373.22498	0.3
380.08627	0.3
432.23325	0.9
433.20996	0.8
433.25476	0.4
458.73560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01382	37.2
60.01719	1.7
61.98835	100.0
69.95325	0.2
71.01389	4.2
71.13232	0.4
72.99292	0.2
73.02947	1.0
75.00900	0.2
77.15993	0.2
83.01408	0.4
85.02967	1.9
87.00887	0.3
89.02455	2.7
95.01453	0.3
99.00880	0.4
101.02460	2.8
113.02474	2.0
119.03513	1.5
119.05019	1.4
125.02490	0.6
129.10410	0.5
143.03465	0.4
144.01639	0.2
160.21895	0.2
161.02484	0.3
161.04599	2.1
162.04945	0.2
163.04041	0.2
167.03510	0.3
179.05556	0.6
183.10321	0.2
205.03502	0.2
240.04146	0.3
241.04633	0.3
242.18739	0.4
243.19069	0.2
271.19067	0.2
293.70084	0.2
300.02618	0.4
372.21078	1.1
373.22452	1.3
432.09561	0.2
432.27094	2.0
433.07593	0.3
433.16870	1.0
433.24152	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	27.6
60.59385	1.8
61.98835	100.0
62.46967	1.6
71.01398	1.8
71.03752	4.5
84.78529	1.5
119.78851	2.1
121.06602	16.7
125.09733	3.5
134.09799	2.3
139.07686	25.4
142.06653	80.8
143.06956	4.8
158.06105	3.5
160.07680	2.0
162.59898	1.7
183.06651	88.8
184.07066	5.8
186.05637	53.4
187.05980	5.1
193.02946	2.3
204.06688	14.0
205.06894	2.1
264.36661	1.7
278.25629	1.8
299.06329	1.8
304.19083	2.0
326.13928	5.3
370.13019	3.7
371.88956	1.8
390.22815	1.9
405.23273	1.6
433.09744	2.5
433.22049	4.3
434.22079	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	432.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01381	4.6
60.99316	0.8
61.98833	7.4
63.38854	0.2
69.03448	0.3
71.01385	2.5
71.71704	0.3
72.99332	0.5
73.02968	0.5
75.00878	0.6
83.01357	0.3
83.98832	0.3
85.02946	0.5
86.02486	4.9
87.00891	0.5
88.98817	4.8
88.99335	0.4
89.02457	1.5
89.99152	0.6
93.03474	1.4
95.01378	0.4
97.02966	0.5
101.02470	0.9
107.05096	0.2
109.02971	1.3
110.03286	0.2
111.00892	0.3
113.02484	1.0
115.00440	0.3
119.03548	0.4
120.01270	24.0
121.01602	0.2
121.03023	0.5
121.06609	3.3
122.02502	0.5
122.03702	0.3
123.04520	0.5
125.02443	1.9
126.02856	0.3
129.01985	0.3
137.02463	3.4
137.06076	0.3
138.05638	2.9
149.06099	100.0
150.06441	4.9
151.04024	1.0
152.03535	1.9
153.01971	0.6
153.05571	0.4
161.02472	0.9
161.04575	0.7
165.01920	0.4
168.00629	0.5
172.57324	0.3
175.02444	0.4
177.05659	0.3
179.03539	1.7
179.05582	0.4
181.04910	0.3
182.05836	0.7
183.04861	22.0
184.05211	0.9
197.08186	1.7
227.46725	0.2
239.05605	0.7
255.06662	0.3
270.08026	3.4
289.07275	0.4
342.09119	0.3
345.10034	3.0
346.10260	0.4
432.13315	25.5
433.13602	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	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69494	0.2
59.01382	4.2
61.98834	100.0
62.98551	0.2
70.75442	0.8
71.01400	0.4
72.99291	0.2
75.44534	0.2
87.00898	0.4
130.37737	0.2
146.21129	0.2
258.40482	0.2
390.16479	0.2
433.24146	0.3
456.07452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90556	0.4
57.03437	0.6
59.01379	4.8
59.93722	0.4
60.99312	0.5
61.98834	2.8
64.00400	0.3
71.01389	2.1
71.70927	0.4
72.99310	1.2
73.02949	0.8
75.00876	0.5
83.01398	0.5
85.02960	1.2
87.00866	0.9
88.98822	2.2
89.02481	1.9
95.18793	0.4
96.96017	0.9
99.00883	0.5
99.92577	0.5
101.02448	0.9
108.04562	6.4
109.02972	1.6
110.55949	0.4
111.04529	0.5
113.02478	1.2
116.92877	2.1
119.03517	0.7
120.01268	100.0
121.01594	1.3
121.02932	0.5
121.06651	0.4
122.02534	0.6
123.04543	1.1
125.02480	2.3
137.02463	0.9
138.05673	0.7
149.02405	0.4
149.06096	7.5
150.06458	0.4
151.04015	1.3
152.03551	13.7
153.01949	0.6
153.03911	0.7
161.04544	1.0
167.03508	0.7
178.65337	0.4
179.05676	0.6
181.01477	0.5
192.07439	0.4
193.04962	0.7
195.06573	0.4
196.03789	1.1
211.06134	1.8
311.11444	0.7
317.06723	0.6
362.77673	0.4
431.27335	1.0
432.13345	11.8
433.08948	0.7
433.13766	1.8
433.21997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
57.98158	0.5
59.01381	92.2
60.01713	0.8
61.98834	2.7
68.37173	0.6
71.04191	0.7
71.04518	1.0
77.04993	0.6
78.95925	6.8
88.98824	1.0
94.91021	0.6
108.38869	0.5
117.03500	1.8
119.05044	3.2
124.73167	0.6
139.14793	0.5
145.02974	9.9
152.99609	13.6
163.04033	2.1
221.08311	0.7
222.08728	0.9
223.08710	1.1
225.22168	1.3
253.21863	2.7
271.22784	38.4
272.23145	3.1
282.60886	0.6
313.23846	39.4
314.24200	4.9
385.31039	1.1
387.32971	2.0
431.31750	100.0
432.26086	1.3
432.32031	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	432.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.2
58.00613	0.1
59.01381	8.9
60.01728	0.4
61.98833	1.4
69.61530	0.7
71.01384	1.3
71.01760	0.1
72.99314	0.2
73.02964	0.4
74.02512	0.1
83.01407	0.2
85.02972	0.5
87.00890	0.2
89.02454	1.9
92.42718	0.1
95.01421	0.1
99.00915	0.4
101.02448	0.8
108.02191	7.9
109.02509	0.3
110.05571	0.1
113.02444	0.6
119.03540	0.6
121.02955	0.2
122.02448	0.1
123.04500	0.2
125.02466	0.6
126.02752	0.1
131.03537	0.2
133.02943	0.2
135.04477	0.1
137.02489	0.2
138.01994	100.0
139.02347	3.5
143.03540	0.1
149.02525	0.1
149.04588	0.2
149.99617	0.1
151.02791	0.2
151.03993	0.1
152.70969	0.1
153.05589	0.2
155.03001	0.1
161.02509	0.4
161.04559	0.3
162.02809	0.1
162.04710	0.1
162.05690	0.9
165.05542	0.1
168.00632	0.2
169.01024	0.2
174.01733	0.1
179.05611	0.8
180.03043	1.6
191.05588	0.1
193.08719	0.1
211.09726	0.3
215.17007	0.1
226.80113	0.1
227.85544	0.1
267.06946	0.1
270.11307	0.6
271.11664	0.1
293.08704	0.1
354.08044	0.2
414.18378	0.1
432.11359	5.3
433.11554	0.7
433.21262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30958	0.4
56.27278	0.3
57.03427	0.4
59.01382	12.3
59.64307	0.3
61.98841	2.1
62.08143	0.4
69.52988	3.2
71.01305	0.4
83.01380	0.4
88.98810	0.6
89.02467	0.6
117.03487	14.3
118.03814	0.7
119.05048	26.3
120.05386	1.1
121.02941	1.0
125.09678	0.5
134.42644	0.4
135.04480	0.5
145.02979	100.0
146.03316	5.7
152.99597	0.7
163.04033	19.2
164.04352	0.8
267.19571	1.8
285.20709	9.1
286.21118	1.2
431.24481	31.6
431.31693	26.9
432.24817	5.5
432.32062	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01288	0.2
55.01897	0.3
57.03457	0.4
59.01381	100.0
60.01723	1.4
60.10157	0.3
61.98832	11.6
69.59686	1.9
71.01389	5.7
73.02958	1.8
75.00882	0.3
83.01408	0.6
85.02963	2.6
88.98846	0.7
89.02457	1.9
91.83831	0.2
95.01441	0.6
99.00908	0.8
101.02464	5.0
101.03090	0.4
105.64264	0.2
113.02470	2.6
119.03543	0.6
119.05056	1.1
125.02419	0.2
129.10353	0.6
142.98895	0.3
143.03572	0.4
155.08353	0.5
159.03059	0.7
161.04585	4.8
163.04005	0.4
240.04388	0.5
242.18826	0.6
281.54355	0.2
285.93134	0.2
306.66434	0.2
371.09247	0.3
371.20767	6.8
372.21216	0.9
381.24994	0.2
431.10327	0.3
431.22253	0.4
431.26849	3.8
432.27228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
50.65981	0.3
55.01876	0.8
57.03462	1.7
58.00592	2.0
59.01381	69.5
59.35698	0.3
60.01724	0.9
61.98835	13.6
68.99818	0.7
69.03455	0.7
70.44057	1.3
71.01386	26.7
71.05020	0.4
71.66567	0.3
72.01738	0.3
72.99311	3.8
73.02956	11.6
75.00883	0.6
83.01379	2.2
85.02966	6.6
87.00900	1.3
88.98828	0.7
89.02458	21.1
90.02827	0.4
93.03463	0.6
95.01398	2.4
95.23895	0.3
97.02973	0.4
99.00894	1.9
99.04539	0.5
101.02457	15.3
113.02455	8.4
119.03521	7.5
119.04315	0.6
125.02456	1.7
128.29344	0.4
131.03511	0.8
137.02455	1.3
138.03261	0.3
143.03516	1.1
149.06192	0.4
151.03952	0.4
155.10835	0.4
161.04581	1.2
162.03275	0.4
163.11333	1.5
165.01929	0.9
167.03525	1.0
179.05630	1.1
181.12366	34.9
182.12657	2.2
183.13908	1.1
187.07527	0.4
193.12202	0.3
203.10753	1.2
208.72568	0.3
213.09155	0.4
221.59953	0.4
229.08675	0.5
247.09775	0.6
251.16524	23.2
252.16855	2.0
253.18164	1.5
269.17621	1.0
275.09351	1.3
283.13406	0.5
305.74545	0.4
327.16049	0.7
337.10822	0.6
353.10629	0.4
371.20758	0.5
376.78793	0.4
389.16028	0.5
413.12384	0.7
431.22873	100.0
432.23221	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03441	0.4
58.00594	0.3
59.01381	100.0
60.01713	1.4
61.98839	1.3
64.97374	0.2
69.91046	1.4
71.01392	6.8
73.02975	1.0
77.99150	0.2
80.85008	0.2
83.01419	0.4
85.02954	2.1
87.00907	0.5
89.02451	6.0
95.01418	0.5
98.20547	0.2
99.00893	0.4
101.02457	4.2
103.40623	0.2
103.48854	0.2
113.02454	2.9
119.03518	2.5
124.38734	0.2
131.03548	0.5
138.69365	0.2
143.03540	0.8
159.03038	0.6
161.04575	3.7
162.04999	0.3
171.71407	0.3
179.05605	2.2
209.15570	0.7
269.13995	0.4
371.20828	3.1
372.21442	0.4
431.22708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01384	100.0
60.01715	1.3
61.98836	3.4
71.01389	6.7
71.05058	0.5
72.99327	0.3
73.02952	1.9
81.03491	0.2
83.01420	0.6
83.74747	0.2
85.02966	2.7
88.98865	0.3
89.02461	2.5
93.03513	0.2
95.01419	0.6
97.02973	0.3
99.00904	1.0
101.02467	4.6
101.03091	0.4
107.84258	0.2
113.02474	3.6
119.03558	0.9
125.02493	0.5
125.06128	0.3
137.09740	1.3
139.11334	1.8
143.03510	0.4
159.03024	1.0
161.04599	6.7
163.33055	0.2
167.03531	0.4
179.05621	0.4
191.14493	0.4
209.15468	4.5
210.15826	0.3
222.42804	0.2
237.61290	0.2
335.71271	0.2
371.20779	7.4
372.21133	1.1
431.13828	0.3
431.23093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01380	100.0
60.01718	1.4
60.99304	0.2
61.98834	1.9
71.00992	0.2
71.01386	4.3
71.05030	0.5
71.71275	0.2
71.71701	0.2
72.99294	0.4
73.02950	1.1
74.02470	0.9
75.00877	0.4
83.01399	0.8
85.02962	2.0
87.00877	0.5
88.98819	1.4
89.02445	1.6
89.90095	0.1
93.03452	0.2
95.01391	0.5
95.05050	0.1
97.02966	0.2
98.03777	0.3
99.00881	0.6
100.00452	0.2
101.02447	2.4
109.02947	0.6
110.09739	0.2
111.00900	0.3
111.05635	0.2
113.02480	1.7
115.00361	0.3
115.27258	0.1
117.05559	0.3
119.03501	0.5
123.00867	0.2
123.08128	0.2
124.01686	0.9
124.05283	0.2
125.02457	2.0
127.07641	0.4
133.02948	0.4
135.02951	0.3
135.04494	0.2
137.02425	0.3
137.09735	0.1
138.01955	0.2
139.00374	0.2
139.07635	0.3
141.09169	0.3
142.99918	0.9
143.03441	0.3
147.04445	0.2
149.02396	0.2
149.99609	0.8
150.03307	0.7
150.04298	0.2
151.00357	0.3
153.01944	0.8
153.09154	0.6
155.10808	1.4
156.00584	0.4
159.02982	0.4
161.02495	1.0
161.04559	1.5
162.02728	0.6
162.05685	0.2
163.02859	0.2
164.09590	0.1
165.05598	0.7
167.03477	0.1
167.99336	0.2
168.00652	2.0
169.01436	0.9
173.00862	0.4
174.01715	5.4
175.02420	0.3
175.03877	0.3
176.04805	0.2
179.05602	0.3
179.11977	0.8
191.07156	0.2
195.06471	0.2
209.15419	0.2
211.10904	0.2
223.10915	1.0
227.14584	0.2
227.16522	1.9
235.06026	0.4
249.05930	0.2
255.11194	0.1
257.09650	0.8
269.04330	0.4
269.10004	0.4
270.11108	0.2
279.09555	0.3
297.12183	0.3
313.08453	0.2
331.06741	0.7
355.12787	0.2
371.08661	0.4
371.20413	0.5
389.21848	1.3
397.12216	0.3
399.04947	0.2
399.11014	0.2
431.10989	6.4
431.23465	0.2
432.11288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.3
59.01383	100.0
60.01720	1.3
71.01391	3.9
71.01765	0.3
78.38415	0.2
85.02977	0.4
86.10023	0.2
88.15172	0.2
89.00336	0.3
89.02460	5.6
98.19772	0.3
101.02458	1.7
113.02452	1.3
119.03513	1.8
141.54956	0.2
143.03552	0.3
159.71278	0.2
179.05603	1.4
190.20058	0.2
196.86075	0.3
268.67752	0.3
309.21689	0.2
333.06717	0.2
364.93542	0.3
431.23145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42512	0.1
55.01878	0.3
57.03450	0.7
58.00596	0.3
59.01381	100.0
60.01720	1.2
60.99302	0.2
61.45233	0.1
61.98833	2.9
68.99832	0.1
69.03456	0.3
71.01386	5.2
71.05029	0.6
71.71847	0.2
72.01743	0.2
72.99318	0.6
73.02954	1.4
74.02477	1.2
75.00880	0.5
83.01389	0.9
85.02961	2.3
86.03279	0.1
87.00871	0.7
88.98815	2.4
89.02457	2.1
93.03468	0.6
95.01435	0.7
97.02942	0.5
97.04106	0.1
98.03716	0.3
99.00899	0.9
99.04540	0.1
100.00416	0.3
101.02460	3.2
102.02778	0.1
107.05001	0.1
108.02177	0.2
109.02959	0.9
109.04082	0.2
109.06561	0.2
110.00169	0.1
110.09781	0.2
111.00885	0.5
111.05640	0.4
113.02467	2.5
113.99573	0.2
115.00359	0.4
117.05579	0.6
119.03495	0.5
121.02987	0.3
122.06165	0.1
123.00864	0.4
123.04536	0.3
124.01701	1.2
125.02460	3.0
125.06058	0.2
127.07676	0.2
129.01945	0.1
130.08815	0.1
131.03465	0.2
133.02948	0.5
135.02969	0.5
135.04527	0.2
137.02487	1.0
137.03418	0.2
137.09711	0.2
138.01968	0.3
138.77525	0.1
139.00432	0.3
139.04031	0.2
139.07654	0.6
141.09164	0.2
142.99893	1.5
143.03520	0.3
143.04585	0.2
147.04512	0.3
149.02443	0.4
149.06075	0.2
149.99614	1.2
150.03204	0.6
151.00371	0.3
151.04010	0.2
153.01999	0.9
153.05473	0.1
153.09216	0.6
155.09702	0.2
155.10808	1.8
155.11981	0.1
156.00635	0.5
157.01408	0.2
159.02948	0.4
160.00616	0.3
160.01785	0.2
161.02487	1.0
161.04568	1.6
162.02684	0.3
162.05632	0.2
163.02959	0.3
165.05519	0.6
167.03427	0.2
167.99348	0.2
168.00662	2.4
169.01425	1.6
169.05072	0.4
173.00919	0.7
174.01709	7.2
175.02341	0.9
175.03967	0.5
176.04810	0.2
177.01950	0.2
177.05553	0.2
179.03416	0.2
179.05632	0.3
179.07062	0.2
179.11961	1.1
191.07074	0.3
193.04909	0.2
195.06505	0.3
209.08124	0.1
209.15390	0.3
211.10803	0.3
217.09839	0.1
220.11169	0.1
221.08231	0.1
222.08655	0.2
223.08899	0.2
223.10886	1.0
225.09036	0.2
227.16545	1.8
235.06053	0.2
257.09668	1.5
269.04340	0.4
269.10336	0.6
270.11215	0.2
279.09616	0.4
297.12234	0.2
305.17209	0.2
313.08517	0.4
331.06656	0.6
337.10162	0.2
341.07953	0.2
344.08279	0.1
355.13086	0.2
371.09143	0.6
371.20486	0.3
389.21790	1.2
390.21896	0.2
397.12231	0.5
399.11728	0.2
413.09564	0.3
431.11075	9.4
431.27127	0.3
432.11371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96311	0.5
57.43572	0.4
58.21642	0.4
59.01381	100.0
60.01691	0.8
61.98832	13.3
63.38389	0.5
63.47864	0.5
71.01391	3.1
71.70855	0.8
72.99315	18.8
73.02954	0.7
75.00874	5.4
77.25343	0.4
83.01408	0.9
83.05043	0.6
85.02971	1.4
87.00877	2.8
88.98837	1.5
89.02451	2.5
93.03486	1.1
99.00913	1.5
101.02487	2.1
104.91218	0.5
105.01962	1.7
111.04506	0.6
113.02469	1.1
117.01974	1.5
119.03500	0.9
133.02983	0.7
135.03018	20.7
135.04591	1.1
137.02492	0.8
137.06229	0.6
147.03079	1.6
161.04590	2.1
174.01779	0.9
177.02010	0.5
179.05716	0.6
186.06888	0.7
191.01971	5.4
199.07552	0.6
199.43103	0.5
209.11914	1.7
214.06410	1.1
229.08835	1.1
292.50217	0.5
334.07138	2.0
371.20905	2.2
389.16177	1.5
431.22787	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	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01380	100.0
60.01712	1.5
60.99304	0.6
61.98834	12.1
69.03439	0.3
69.89455	1.8
71.01389	5.5
71.01763	0.5
73.02947	1.7
81.03459	0.3
83.01420	1.0
85.02951	2.7
87.00883	0.9
88.98826	3.6
89.02457	1.6
90.17400	0.3
90.30392	0.2
90.72458	0.3
93.03482	0.4
95.01413	0.4
97.02943	0.6
98.20603	0.6
99.00887	0.7
99.04552	0.7
101.02458	3.7
103.48338	0.3
105.03497	0.6
109.02969	0.8
113.02458	2.6
115.00391	0.6
119.03560	0.6
121.02991	0.4
123.04569	0.7
124.41615	0.3
125.02462	3.3
129.53134	0.3
131.03578	0.3
133.03078	0.3
135.04568	0.5
137.02457	0.9
138.02046	0.3
138.05644	2.2
139.04071	0.3
143.03558	0.4
146.15649	0.3
149.02515	0.8
149.06085	0.3
151.00374	0.7
151.04068	1.0
152.03503	0.6
153.01950	1.0
153.05685	0.3
159.03036	0.4
161.02469	3.1
161.04532	1.9
162.02893	0.6
165.05630	0.3
167.03549	0.7
168.00685	0.4
169.01480	1.1
175.02544	1.2
176.04811	1.9
179.03505	5.3
191.07205	1.0
194.05858	5.8
195.06371	0.4
209.08209	17.3
210.08583	1.2
222.08955	0.3
269.10266	1.6
295.13959	0.3
341.08875	0.4
371.13785	0.5
387.13181	0.7
428.66821	0.3
431.11655	1.6
431.15845	1.9
431.27594	0.6
432.15851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1564
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01880	6.7
57.03449	11.9
58.00595	3.3
59.01382	71.2
61.98833	6.8
65.00327	3.1
69.03444	2.1
69.79581	1.7
69.79991	4.4
71.01389	100.0
72.99328	4.6
73.02954	26.9
75.00883	2.1
81.03470	2.2
81.08630	0.8
83.01397	24.3
85.02965	43.8
86.03309	0.9
87.00893	6.7
88.98829	2.1
89.02460	24.9
93.03443	1.4
95.01407	7.5
95.05007	1.2
97.02972	5.8
98.19937	1.8
99.00905	12.1
99.04567	2.5
101.02459	76.5
102.02779	1.7
107.01402	6.5
109.02982	1.8
111.00911	1.5
112.01649	1.1
113.02470	40.9
114.02815	1.9
119.03535	7.1
119.05029	1.0
121.02944	1.4
123.04556	5.2
124.01749	1.1
125.02468	42.5
125.42632	1.0
126.02856	2.0
126.70452	0.9
129.01993	2.2
131.03543	1.7
133.05084	1.2
137.02473	2.3
138.02011	3.0
138.05643	2.3
139.00392	1.3
139.04024	4.2
143.03508	6.5
149.02425	2.9
149.99666	1.0
150.99167	2.0
151.00406	39.4
151.04045	1.6
151.58029	1.0
152.00818	2.1
153.01993	2.7
153.05600	2.7
159.03030	9.3
161.02435	3.6
161.04585	42.6
162.02887	1.2
162.04926	1.7
163.11354	0.9
165.01944	1.4
165.05585	3.1
165.29948	1.1
167.03529	4.5
168.00653	2.6
169.01460	17.6
169.05095	1.7
175.00380	3.4
175.02000	0.9
177.47009	1.0
179.05630	3.0
193.01393	3.1
203.07059	1.4
209.08246	2.1
211.02530	1.2
221.06673	3.6
233.36658	1.0
269.10315	49.1
270.10706	4.9
315.10571	1.1
350.73236	1.0
373.07816	2.5
387.12891	1.5
410.78812	1.0
430.09216	0.9
431.11584	38.6
431.15781	48.6
432.11700	4.0
432.15994	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	431.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01379	13.0
60.99308	13.5
61.98833	8.0
66.38635	0.3
69.03452	0.3
71.01383	2.4
71.71732	0.4
72.99316	0.9
73.02953	1.1
74.99108	0.5
82.10037	0.3
83.01405	0.4
85.02959	1.6
87.00874	2.7
88.98817	100.0
89.02453	3.5
89.99156	1.1
95.01378	0.4
97.02962	0.6
99.00922	0.4
101.02456	1.7
108.02190	8.2
108.04559	0.7
109.02979	7.3
111.00941	0.4
113.02457	1.1
115.00356	0.4
117.97317	0.3
119.03494	0.3
121.02969	0.6
122.02506	0.3
123.00890	0.5
123.04530	0.6
125.02444	1.7
133.02980	1.0
133.05089	1.3
135.04546	1.4
137.02435	0.9
149.02510	0.3
149.06107	5.1
149.07227	0.5
150.06795	0.3
151.04001	1.0
152.01178	11.9
152.03581	1.2
153.01976	5.4
161.02463	4.0
161.04523	0.6
165.05502	0.7
167.03508	0.3
168.00682	0.5
169.01399	0.6
175.02426	0.5
177.05571	0.7
179.03494	2.9
181.03310	1.4
183.04965	0.3
191.07146	0.3
194.05745	0.8
209.08202	1.4
221.04546	0.8
251.05626	1.1
255.77463	0.3
269.10025	0.3
281.06729	1.9
282.06870	0.3
297.06137	1.1
315.07172	1.7
341.08795	2.9
387.09180	1.0
413.14386	1.1
431.11771	17.8
432.11856	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	431.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14954	0.2
56.24530	0.3
59.01373	1.7
60.99307	12.4
71.01380	0.8
71.70431	0.4
72.99297	0.6
75.40628	0.2
84.10898	0.2
85.02943	0.3
87.00856	0.3
88.98815	100.0
89.02451	4.7
89.99154	1.1
101.02467	0.4
106.85456	0.2
109.02911	0.3
113.02462	0.4
125.02474	0.3
133.05049	0.3
153.05585	0.4
179.05682	0.5
230.63133	0.3
331.16583	0.3
341.10852	2.4
341.14371	0.4
431.12076	0.7
452.98557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.9
59.01380	100.0
60.01712	1.3
61.98833	13.9
70.19598	2.5
71.01391	5.3
72.07185	0.4
72.99335	1.0
73.02969	1.6
75.00896	0.7
76.26258	0.4
83.01421	1.4
85.02950	2.5
87.00910	1.0
87.04565	0.5
88.98833	1.8
89.02465	3.6
93.03478	0.6
95.01423	0.6
97.02972	1.2
99.04542	3.2
101.02457	4.9
107.01405	0.7
107.05069	1.1
108.02155	0.7
109.02975	1.2
111.00912	0.6
113.02463	2.2
117.05620	0.5
119.03555	1.2
123.04579	0.6
124.01705	0.9
125.02462	11.4
133.03018	0.7
135.04602	0.5
136.01688	0.7
137.02509	0.7
138.02003	0.8
139.04056	2.0
148.68675	0.5
149.02501	0.7
150.03287	1.0
151.00377	4.3
151.04077	2.1
153.01961	0.9
153.05644	0.5
161.02467	4.8
161.04619	1.5
162.02872	0.5
165.05646	0.8
166.02740	0.7
167.03590	1.0
168.00720	1.2
169.01483	2.6
169.05098	1.5
175.00385	0.5
176.04854	3.2
179.03513	4.8
180.04285	0.6
181.05109	0.5
191.07198	1.4
193.05009	0.6
194.05876	4.7
195.06454	0.9
209.08220	17.2
210.08575	1.3
269.10532	0.5
323.10138	0.7
431.11249	7.2
432.06088	0.5
432.11523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01383	13.0
60.99309	14.6
61.98835	6.8
69.37657	0.8
69.38062	3.0
71.01395	2.9
73.02931	0.5
81.03453	0.3
85.02969	1.7
87.00875	1.6
88.98819	100.0
89.02458	3.8
89.99153	1.1
93.03472	0.5
94.51665	0.4
95.01414	0.7
97.02975	0.5
99.00938	0.4
101.02465	1.2
108.02197	8.9
108.04520	0.4
109.02978	8.5
110.03300	0.3
111.00883	0.4
113.02458	1.1
119.03515	0.4
121.02969	0.5
121.06560	0.3
123.00886	0.5
125.02443	2.3
133.02956	0.9
133.05066	1.1
135.04561	2.2
137.02475	1.5
137.15025	0.4
149.02484	0.5
149.06096	4.8
151.04034	1.3
152.01181	13.7
152.03572	1.6
153.01959	6.7
153.03952	0.4
161.02472	3.9
161.04556	0.8
162.02821	0.5
163.04005	0.3
165.01854	0.4
165.05614	0.9
168.00659	0.8
171.57132	0.4
175.02533	0.5
177.05609	0.8
179.03494	2.5
180.02556	0.5
181.03310	1.4
183.04823	0.5
190.06386	0.3
191.07114	0.4
194.05862	0.8
194.79744	0.4
195.29848	0.4
209.08159	1.3
221.04488	0.9
251.05544	1.4
255.66237	0.4
269.10257	0.5
281.06659	2.5
297.06012	1.0
315.07300	2.7
341.08737	3.2
387.09244	1.2
413.14551	1.9
431.11801	20.9
432.11957	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	431.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12450	0.3
50.34028	0.3
57.03443	0.9
57.96457	0.4
59.01382	4.4
60.99310	13.1
61.98836	10.8
70.91841	1.2
71.01387	2.3
72.99318	1.3
76.20943	0.3
85.02968	0.7
87.00893	0.7
88.98820	100.0
89.02444	1.0
89.99141	1.1
101.02463	1.1
108.02168	2.4
109.02956	1.3
113.02457	0.7
115.00404	0.8
118.98107	1.8
123.04548	12.2
124.04839	0.6
125.02467	2.1
133.05019	0.4
135.04555	1.7
137.02478	1.0
143.23460	0.3
149.02379	0.6
149.06099	0.7
151.04060	0.4
152.01186	3.8
153.02019	0.7
153.05600	22.6
154.05956	1.3
161.02507	1.9
175.02498	1.3
177.05606	0.7
179.03546	3.2
195.03008	0.4
209.08150	0.4
221.04593	1.2
251.05629	1.1
255.05095	0.4
281.06726	2.9
315.07431	0.6
315.10895	7.2
316.11264	0.6
341.08813	3.1
431.11926	5.9
432.12482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31191	0.4
51.05072	0.4
54.64586	0.4
57.03463	1.9
59.01380	7.2
60.99311	14.3
61.98838	7.9
61.99640	0.4
70.30677	1.8
71.01381	2.5
72.99339	0.7
73.02934	0.6
75.00855	0.4
79.10529	0.4
83.01430	0.4
85.02969	1.3
87.00900	0.6
88.98818	100.0
89.02449	2.2
89.99174	1.0
93.03480	0.9
95.01415	0.4
96.96041	0.4
99.00906	0.5
99.04543	1.0
101.02469	1.8
108.02188	1.5
108.04583	1.3
109.02962	1.2
111.00872	0.5
113.02443	1.1
118.98128	0.9
119.03530	1.0
119.05011	0.9
121.02966	0.7
122.03792	0.8
123.00967	0.4
123.03293	0.4
123.04546	2.1
125.02473	3.7
133.03008	2.7
135.04538	1.8
137.02483	1.8
138.05635	3.7
149.02481	1.3
149.06107	1.3
151.04033	0.8
152.01215	2.0
152.03569	2.9
153.01939	0.9
153.05621	2.9
153.06668	0.5
161.02469	15.6
161.04527	0.9
162.02779	0.5
167.03485	0.5
168.60326	0.4
175.02495	0.5
177.01907	2.0
177.05525	0.6
179.03497	4.4
195.06604	0.5
203.07188	0.5
209.08185	0.8
212.57239	0.4
220.03651	0.5
227.37466	0.4
269.10159	0.4
281.06747	1.0
287.78409	0.4
315.10776	0.8
341.08813	9.0
342.09256	1.2
431.11725	5.1
431.21024	0.5
431.27420	0.8
432.13684	1.2
439.15417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01384	8.9
61.98833	100.0
71.01411	0.9
71.71354	0.7
75.60088	0.8
88.34728	0.7
108.58493	0.7
119.05125	0.9
124.88763	0.7
141.93379	0.8
145.02968	1.3
173.27101	0.7
173.62753	0.7
190.98871	0.7
192.39371	0.7
221.08267	4.2
222.08516	3.9
282.03162	0.8
325.82706	0.8
386.28214	1.8
424.60538	0.8
430.26703	21.7
431.27512	2.3
431.32388	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	430.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01380	9.8
60.01721	0.3
61.98833	100.0
62.98540	0.2
68.99813	0.2
69.03476	0.2
69.53238	1.3
71.01389	1.6
72.99324	0.3
73.02950	0.2
74.02468	0.2
75.00878	0.2
81.03477	0.3
83.01402	1.0
85.02984	0.5
87.00921	0.2
88.98824	0.3
89.02456	1.0
93.03472	0.2
95.01369	0.2
97.02984	0.2
97.06622	0.4
98.20588	0.3
99.00906	0.5
100.00449	0.3
101.02467	0.7
109.03018	0.5
109.04021	0.2
111.00897	0.2
113.02476	0.6
115.04031	3.9
119.03567	0.2
119.05082	0.2
121.02981	0.2
125.02471	1.5
137.02480	3.8
138.03217	1.1
138.94708	0.1
149.02444	0.4
151.04051	0.3
152.00824	0.2
158.11995	0.2
161.02562	0.4
161.04590	0.5
165.01942	0.6
166.02711	1.1
167.03564	0.6
169.06557	0.2
175.04037	0.2
177.09311	0.1
197.06203	0.2
213.09395	0.2
221.08145	0.2
223.07417	0.2
225.05632	0.2
228.06717	0.7
231.10327	0.2
239.03598	0.3
239.07111	0.3
241.08994	0.2
242.04572	0.3
242.08368	0.3
251.12944	0.3
256.06271	0.4
257.08109	0.2
268.12817	0.2
269.14017	0.9
269.17456	0.2
271.08487	2.9
283.06146	0.4
312.18307	0.2
315.07950	0.3
335.09537	0.2
337.10977	0.4
355.08109	0.2
355.12000	0.4
367.13699	0.4
369.09799	0.2
371.16916	0.1
371.21017	0.2
399.10852	1.8
410.21332	0.1
430.14526	0.3
430.22363	0.4
430.27042	0.6
431.14395	1.0
431.23184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
58.00612	0.3
59.01381	100.0
60.01725	1.5
61.98840	1.3
70.59822	0.8
71.01388	5.2
72.99306	0.7
73.02968	0.2
79.01912	0.2
85.02969	0.8
87.00880	0.5
89.02457	8.0
89.02995	0.5
95.01418	0.3
101.02462	2.6
111.04533	1.5
113.02457	2.3
119.03514	3.0
123.04568	0.3
124.59677	0.2
131.03619	0.2
143.03584	0.5
149.04579	0.3
151.04025	1.2
153.55215	0.2
161.04578	0.9
165.05618	0.4
177.01961	0.3
177.04099	0.3
177.09233	0.2
179.05658	2.6
180.04323	1.0
191.23631	0.2
193.08722	0.4
203.07249	0.5
207.06628	1.7
208.07439	1.0
214.58858	0.2
219.06737	0.4
221.08211	19.8
222.08942	5.9
223.09378	0.5
233.08209	1.2
234.08936	0.3
235.09747	2.2
235.17099	0.4
289.14606	0.4
303.16141	0.5
342.73648	0.3
360.19601	0.7
366.35608	0.3
385.27380	0.4
429.26456	29.0
430.21329	0.4
430.26822	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01730	1.4
61.98837	1.1
63.57867	0.4
70.78384	1.4
89.02470	0.8
91.04020	2.8
94.61134	0.4
96.92170	0.4
111.04539	0.5
121.03011	0.4
171.36546	0.4
195.13890	0.8
221.08182	3.8
222.08812	1.4
233.08130	0.6
235.09740	0.5
274.51965	0.4
277.21765	1.0
295.22797	13.4
296.23169	1.8
339.26892	0.8
341.28482	1.2
367.26151	1.7
379.84821	0.4
385.27530	1.1
429.26437	42.0
430.26810	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	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17379	0.2
57.03450	0.6
58.00591	0.4
59.01381	100.0
60.01721	1.3
61.98835	1.9
63.95733	0.2
68.75117	0.2
70.33723	1.1
71.00995	0.5
71.01385	8.0
72.01724	0.2
72.99316	0.8
73.02961	0.7
75.28609	0.2
77.00697	0.3
83.01404	0.6
85.02974	1.5
87.00886	1.2
89.02460	10.7
95.01424	0.5
97.06617	0.4
99.00882	0.2
101.02451	3.9
107.05055	0.4
111.00913	0.3
111.04550	0.2
113.02473	3.3
119.03519	3.4
120.05789	0.3
131.03513	0.3
131.06879	0.2
135.03049	0.4
139.03973	0.2
143.03542	0.8
149.04582	0.3
151.00385	0.3
161.02481	0.3
161.04572	1.4
161.09752	0.7
161.13445	0.6
169.05107	0.3
179.03487	0.2
179.05650	2.0
187.11285	1.4
189.09222	0.5
189.35434	0.2
203.10660	0.3
205.12480	0.5
221.08282	0.9
223.13405	6.5
224.13757	0.3
229.12358	0.3
249.11440	0.7
267.12354	8.0
268.12729	0.5
271.08414	0.5
291.12387	0.2
305.21298	1.0
307.22833	0.7
323.23318	0.3
339.14471	0.4
351.21735	0.3
369.15662	1.2
429.16525	1.3
429.21561	1.1
429.26242	2.2
430.17892	0.4
430.26974	0.3
444.21838	0.2
444.28735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95439	0.2
55.36396	0.2
57.03444	0.3
58.00593	0.7
59.01382	100.0
60.01722	1.1
61.98835	0.7
69.70282	2.0
71.01390	10.8
72.99319	0.9
73.02975	0.7
81.93459	0.3
83.01408	1.0
85.02955	2.3
87.00912	1.1
89.02457	16.2
90.02808	0.5
95.01390	0.6
98.20639	0.3
101.02462	6.5
101.03081	0.5
113.02469	4.1
119.03526	5.4
119.04316	0.5
122.89713	0.3
131.03537	0.8
137.09750	1.5
143.03482	1.5
149.04588	0.4
161.04565	1.7
161.09709	0.4
161.13399	0.4
165.05629	0.3
167.03485	1.2
174.94331	0.2
179.05626	4.0
180.06139	0.3
187.11359	0.8
205.08736	0.5
205.12288	0.3
207.10301	0.3
219.84901	0.2
221.08318	0.9
223.13432	3.1
224.13705	0.3
235.09801	0.4
249.11327	0.7
267.12366	2.7
309.13382	0.3
339.14587	0.3
369.15659	0.8
429.17007	0.4
429.21619	0.8
429.26089	1.5
430.26837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77351	0.1
57.03461	0.7
58.00599	0.2
59.01382	100.0
60.01714	1.1
61.98827	0.2
66.91570	0.1
66.94873	0.1
69.03474	0.2
71.01391	4.9
71.05035	0.6
72.99323	0.4
73.02942	1.3
75.00895	0.4
80.39615	0.1
83.01409	0.6
83.05029	0.1
84.51938	0.1
85.02957	2.3
87.00901	0.6
89.02460	1.4
93.03506	0.1
95.01414	0.4
95.05064	0.2
97.02973	0.4
99.00913	0.4
99.02755	0.8
101.02441	2.3
109.06633	0.2
111.00925	0.2
111.04575	0.5
113.02468	3.2
119.03549	0.4
119.05083	0.1
123.04568	0.1
123.08200	0.2
125.02553	0.2
125.06125	0.2
131.03581	0.2
134.03827	0.2
136.05338	0.2
137.02499	0.3
137.06104	0.1
137.09744	0.3
138.06898	2.5
143.01813	0.2
143.03543	0.3
147.04538	0.9
149.02541	0.2
151.04089	0.2
153.09235	9.0
154.09630	0.5
159.03029	0.2
161.02504	0.3
161.04585	1.4
161.13365	0.2
163.11395	0.3
164.04871	0.3
164.52336	0.1
165.05579	0.9
175.00450	0.6
179.05667	0.1
180.04335	0.2
187.11406	0.2
190.02751	1.3
205.05124	1.6
205.12642	0.1
207.06706	0.6
207.13879	0.9
221.08205	0.7
223.06242	0.2
223.13390	1.2
225.14975	12.9
226.15329	1.1
249.06339	0.5
267.07523	0.3
267.12415	1.0
339.14621	0.2
357.21194	0.1
369.15488	0.1
369.19241	3.9
370.19781	0.6
387.20367	1.1
421.73877	0.1
429.07574	1.3
429.14288	1.7
429.21405	1.1
429.26746	2.4
430.08011	0.2
430.14020	0.3
430.21915	0.2
430.27023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.2
58.00599	0.7
59.01381	100.0
60.01713	0.8
60.99308	0.4
61.98827	3.7
69.03466	0.4
69.50004	3.6
71.01389	15.4
71.05032	1.0
72.99304	1.9
73.02949	2.8
74.30353	0.4
75.00883	0.5
77.00688	1.0
83.01400	2.8
83.05034	1.1
85.02960	4.8
87.00894	4.6
89.02458	10.1
95.01409	1.5
95.05040	0.8
96.51942	0.4
97.03003	0.6
97.06612	1.6
98.20666	0.8
99.00937	0.6
99.04551	0.5
101.01861	0.8
101.02462	8.7
105.01966	0.5
107.05052	4.5
111.00882	0.7
113.02477	6.3
114.17335	0.4
119.03520	3.5
119.05019	0.4
120.05821	1.8
125.02488	0.7
129.01984	0.5
131.03517	0.6
135.03029	0.6
135.04579	1.7
141.04140	0.4
141.05617	0.8
143.03517	0.8
145.02939	0.7
146.07353	0.7
147.08098	0.4
151.00438	0.6
152.04831	0.9
157.06683	0.6
159.02989	0.4
159.08168	0.9
159.11906	0.5
161.02505	2.0
161.04590	5.5
161.09744	9.4
161.13353	3.9
162.10022	0.5
163.11296	1.7
179.05612	1.3
185.09894	0.4
185.13339	0.5
187.11290	11.0
188.11635	0.7
189.09264	4.5
203.10840	0.7
205.08743	0.5
205.12354	4.0
207.10320	2.2
207.13922	0.8
221.08255	1.0
223.13402	43.3
224.13724	3.8
229.12337	1.3
237.07669	0.9
249.11325	4.3
249.14966	0.5
265.14603	0.5
267.12366	65.8
268.12717	6.3
271.08398	1.3
291.12393	0.5
303.16110	0.5
305.21182	2.5
307.07941	0.5
307.22839	1.0
309.13470	1.9
329.77167	0.4
339.14609	0.8
351.21774	1.2
369.15500	2.2
369.19440	0.9
429.17365	7.7
429.25830	2.7
430.17743	0.5
454.07455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03435	0.5
58.23684	0.2
59.01383	3.8
61.24152	0.2
61.50142	0.2
61.98830	0.4
69.65345	1.6
71.01387	3.4
73.02946	1.3
83.01374	0.4
85.02974	1.9
87.00922	0.3
89.02444	1.6
92.42451	0.2
93.03475	0.3
99.00866	0.3
101.02460	3.0
105.03469	0.4
105.05602	0.5
107.04987	0.2
109.02946	0.5
113.02483	1.5
115.83844	0.2
117.03465	0.7
119.03527	0.4
123.04540	0.4
132.02168	1.2
133.02980	28.6
134.03421	1.2
135.04550	7.6
136.04901	0.4
137.02516	0.5
149.02477	0.5
149.06171	0.3
151.04002	0.4
151.05998	0.2
161.02469	100.0
162.02798	5.9
163.03989	0.3
176.43867	0.3
177.01959	1.7
178.02835	0.3
179.03522	4.4
180.03957	0.2
193.05096	0.3
207.06627	0.3
221.04808	0.2
221.08217	1.5
222.08980	0.5
225.76799	0.2
235.09688	0.3
275.77301	0.3
334.14926	0.3
369.61258	0.2
374.63876	0.3
376.82858	0.3
429.14044	71.3
430.14331	9.3
430.26733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03449	2.1
59.01382	9.8
61.98838	3.4
70.93661	0.3
71.01389	6.9
71.67781	0.3
71.72298	0.5
72.99326	0.5
73.02952	2.0
75.00888	0.5
78.91872	0.3
83.01390	1.7
85.02964	10.2
87.00899	0.8
89.02461	3.4
93.03483	0.6
95.01389	0.4
95.05054	0.4
97.02954	0.4
99.00895	0.7
101.02464	4.9
105.03449	0.4
105.05601	0.7
107.05071	0.4
108.02188	0.6
109.02955	0.5
111.00901	1.5
113.02472	2.4
117.03479	1.7
117.05656	0.5
119.03554	0.9
119.05065	0.6
121.02988	0.4
122.03724	0.4
123.04579	1.2
124.01656	0.3
125.02460	0.7
129.01967	2.9
132.02182	1.7
133.02980	29.8
134.03719	1.2
135.04546	8.3
137.02409	0.6
145.02982	5.1
146.03365	0.4
149.02473	1.6
149.06161	0.6
151.03981	0.6
152.01195	0.9
153.01988	0.3
155.30643	0.3
161.02467	100.0
162.02795	5.4
163.04034	1.4
164.04819	0.5
165.05614	0.3
167.03539	0.7
168.00679	0.4
177.01901	2.1
177.05557	0.4
179.03529	4.3
193.05063	0.4
205.03514	1.6
205.08789	0.3
207.02985	0.3
221.04626	0.4
221.08226	0.6
223.04605	0.9
223.06395	0.5
303.16214	0.4
313.09338	0.6
315.07217	0.4
354.05853	0.3
385.11423	0.5
429.13901	69.3
429.26041	2.3
430.14291	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	427.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	1.2
61.98841	2.2
62.01466	0.6
62.35324	0.5
71.70985	0.8
74.59566	0.6
80.35600	0.6
91.70943	0.9
111.04544	0.8
169.71637	0.8
187.18475	0.6
190.54620	0.6
196.60936	0.6
219.06656	0.8
220.07411	1.2
293.21292	4.2
327.34116	0.7
391.17429	0.6
427.24478	3.0
427.29245	11.3
428.29120	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18036	0.5
51.48462	0.5
55.01881	1.6
57.03447	5.6
58.00583	1.4
59.01378	40.6
60.28809	0.5
61.90335	0.6
61.98519	0.7
61.98835	12.6
65.74271	0.6
71.01387	24.0
71.71484	0.7
71.71861	1.0
72.52306	0.5
72.99319	2.9
73.02947	1.9
73.26846	0.6
75.00894	3.0
81.03524	0.7
83.01400	4.4
85.02958	33.9
86.03296	0.8
87.00882	25.9
89.02451	25.6
93.03487	0.9
95.01394	2.5
101.02449	18.7
105.01945	2.4
107.05035	0.8
108.02209	1.6
109.02964	1.8
111.00899	7.6
111.04549	1.0
113.02467	10.4
117.03513	0.7
117.05621	0.7
119.03516	12.4
119.04963	1.0
123.00903	0.9
123.04544	0.9
125.02457	1.6
128.03534	1.0
129.01959	12.8
130.02342	0.6
131.03554	1.3
132.02151	0.6
133.02969	17.3
134.03696	2.4
135.04539	20.2
136.04895	0.8
137.02434	1.8
143.03545	1.3
147.04579	1.5
149.02473	3.1
149.04640	0.7
149.06084	4.4
151.04036	1.5
152.01143	0.8
153.01926	1.0
161.02460	67.0
161.04639	2.3
162.02820	4.0
163.04082	1.1
164.04768	1.7
167.02277	0.6
167.03564	0.9
175.04076	0.8
177.01985	1.0
177.05574	6.1
177.52731	0.6
178.02675	0.8
179.03517	17.4
179.05196	1.1
179.05678	0.8
179.07004	0.6
180.03925	0.9
181.05057	1.4
190.02650	0.6
193.05058	1.8
203.03596	0.9
205.03554	8.4
207.06644	1.3
208.07375	1.0
219.06573	1.1
221.04614	6.3
221.08128	5.5
222.08868	0.8
223.04449	5.2
223.06462	1.0
233.08206	0.8
235.09750	1.6
251.05618	1.8
267.07187	100.0
268.07483	5.4
281.06613	4.4
289.41461	0.7
299.07648	0.7
303.15927	0.9
309.06592	0.6
315.07227	1.9
317.14023	0.6
318.51013	0.6
341.08588	1.1
345.55893	0.6
371.98648	0.7
429.09680	51.3
429.26355	12.7
430.09991	7.2
430.26990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01724	1.1
61.98834	1.5
71.01418	0.3
77.63683	0.3
89.02475	0.6
91.04025	3.8
111.04546	1.1
116.87159	0.4
137.29712	0.4
165.70853	0.4
195.14005	1.1
219.06717	0.5
223.13495	0.8
275.20245	1.2
293.21231	15.5
294.21564	2.0
341.17883	0.4
354.86853	0.4
427.24179	4.6
427.32901	3.3
428.24948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.5
64.08146	0.8
71.01392	8.2
71.71565	1.3
72.99328	2.0
77.56999	0.7
85.02998	1.0
89.02456	12.0
101.02462	7.5
111.00898	1.0
112.30413	0.8
113.02448	2.2
116.05067	3.8
119.03519	2.3
128.05109	1.0
133.03015	1.3
142.06642	100.0
143.03458	1.1
143.06985	7.1
143.22842	0.7
158.06133	10.5
160.01663	1.4
161.02449	2.9
161.04556	0.9
175.04041	2.3
179.05621	3.2
186.05626	43.3
187.06013	3.7
204.06673	66.9
205.06967	4.8
246.07700	35.2
247.08035	2.9
251.09961	0.8
427.15939	3.9
427.24884	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	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
61.98831	0.4
71.01390	0.6
72.99314	7.6
73.02963	0.4
77.62696	0.2
80.66514	0.2
85.02962	0.4
89.02442	0.5
91.05573	0.6
99.65579	0.2
101.02485	1.0
111.65607	0.2
113.02494	0.6
119.05044	10.0
120.05392	0.6
127.05535	1.3
133.02962	0.5
136.05832	0.2
142.06642	0.9
143.06998	0.7
145.02921	0.3
145.06645	0.7
147.04541	44.3
148.04857	2.4
160.01620	0.4
161.02426	1.4
161.04550	0.3
165.05588	100.0
166.05927	6.5
175.04025	0.7
177.01918	0.2
186.05603	0.4
187.05923	0.6
189.05589	10.7
190.05943	0.7
193.05437	0.3
193.07161	1.7
204.06607	0.6
205.07022	0.5
235.08224	0.6
246.07802	0.3
261.06128	0.8
265.10828	0.6
293.13849	0.2
427.15930	1.4
427.24915	0.6
432.40576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95332	0.4
57.03464	0.6
59.01381	100.0
60.01719	1.1
61.98827	4.0
70.89929	0.8
70.90255	0.4
71.01382	3.1
72.99323	0.9
73.02949	0.6
75.00900	0.7
81.03465	0.3
83.01413	0.9
85.02958	2.1
87.00901	0.7
89.02467	1.2
95.01426	0.8
99.04525	1.2
101.02470	0.8
105.01917	0.5
108.11648	0.3
108.45001	0.3
109.02924	0.5
111.00902	1.2
111.04556	0.5
113.02477	1.7
121.02979	0.3
122.03774	0.9
123.04626	0.5
124.01662	0.8
125.02473	3.9
130.27023	0.3
133.03041	0.5
135.04572	1.2
137.02478	0.5
141.09212	2.7
147.03015	0.5
148.05325	10.5
149.05713	0.7
149.98149	0.3
149.99582	1.8
151.00508	0.5
161.02481	1.0
163.07660	13.0
164.07983	0.7
167.03653	0.4
168.00711	2.2
179.03484	0.6
189.05640	1.5
203.05815	0.6
203.14386	0.8
205.05211	0.4
219.06696	0.6
220.07370	0.6
221.15543	1.2
229.06227	0.5
265.14426	4.6
266.14764	0.7
289.14615	0.4
331.06937	0.4
341.17352	0.5
365.11520	0.5
391.16071	4.2
392.16422	0.4
427.11823	3.5
427.24780	4.2
428.25336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03444	1.2
58.00612	1.1
58.38934	0.6
59.01381	100.0
60.01714	1.6
61.98834	21.5
61.99146	1.3
64.44188	0.6
69.95821	4.1
71.01387	32.9
72.00919	1.3
72.99335	1.5
73.02949	9.2
75.00865	1.2
78.89397	0.6
83.01402	3.9
84.02177	0.7
84.97552	1.1
85.02966	14.8
87.00893	2.4
87.04520	1.6
89.02457	8.6
95.01412	2.2
97.02965	1.0
97.06624	1.0
99.00908	4.4
100.00430	3.2
101.02457	28.6
102.02753	0.8
109.02962	1.3
113.02473	14.1
114.02803	0.7
119.03543	2.3
119.05075	0.8
125.02496	1.5
129.01962	0.7
131.76721	0.7
143.03548	2.0
144.03047	3.4
151.04031	0.7
153.01918	0.6
159.03081	2.9
161.02570	1.3
161.04576	28.9
161.73576	0.6
163.03975	0.8
165.05707	0.7
166.04503	0.6
179.05666	1.6
203.12915	5.8
205.03700	0.8
219.03084	1.9
219.56100	0.7
245.08182	0.7
365.18182	62.4
366.18494	5.9
407.07870	1.3
425.11035	1.8
426.14569	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	425.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15284	1.9
55.26022	2.2
58.56419	2.0
59.01381	91.4
67.63296	1.9
71.01386	4.0
71.05019	2.1
71.29854	5.0
78.95906	9.1
85.02966	8.2
85.06583	2.4
87.00874	2.4
93.70859	2.0
99.00875	2.0
101.02448	7.4
103.00381	9.1
103.04013	3.1
124.07899	2.2
128.07217	3.3
129.02017	1.9
129.05568	12.2
133.05096	2.1
134.04674	3.1
142.99908	2.3
147.06660	100.0
148.06944	3.2
158.08229	3.5
158.92537	5.0
170.08229	2.7
189.07709	33.3
190.05444	2.8
230.01332	2.2
328.04663	2.4
334.46838	2.2
338.39667	2.3
347.44855	1.8
425.10959	9.6
426.02142	5.0
441.92947	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	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10729	0.5
55.01875	1.5
57.03446	1.9
57.61986	0.4
58.00602	0.9
59.01382	100.0
60.01709	0.8
61.98835	23.5
68.99866	0.4
69.03461	0.5
71.01390	28.2
71.72226	0.6
72.99316	1.2
73.02956	9.0
75.00881	1.5
83.01401	4.0
85.02962	12.7
87.00893	1.9
87.04536	1.1
88.13509	0.5
88.98809	0.8
89.02456	8.5
90.13657	0.4
95.01409	2.3
96.96024	0.5
97.03014	0.7
97.06597	1.0
99.00870	3.2
100.00416	1.1
101.02460	24.2
102.02772	0.6
111.00868	0.6
113.02472	12.8
115.00436	0.6
117.03490	0.5
119.03506	3.4
119.05072	0.4
122.26685	0.5
125.02458	1.6
131.03592	0.6
136.56810	0.4
139.00339	0.5
143.03487	2.0
143.04549	0.6
144.02992	1.4
145.02975	2.9
151.04022	0.5
159.03041	3.2
159.10255	0.8
161.02444	1.0
161.04587	24.7
162.04938	0.9
163.03963	0.7
175.02524	0.7
179.05591	1.4
179.07039	0.5
203.12886	7.5
204.13123	0.6
219.02995	1.0
307.14008	1.0
339.11057	2.3
365.18188	63.3
366.18527	7.2
368.76868	0.5
407.07761	0.6
425.20081	1.6
426.14203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98835	100.0
69.15833	0.2
71.01389	0.5
71.71960	0.2
73.02963	0.2
75.00883	0.3
85.02991	0.5
95.01409	0.2
101.02470	0.5
111.00889	0.9
113.02492	0.2
134.03668	0.2
135.04553	0.2
188.30408	0.2
190.08366	0.2
263.12967	0.3
345.16370	0.2
403.10608	0.2
424.25204	0.3
425.12769	0.2
425.18143	1.1
425.27206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96403	0.3
70.73507	0.4
74.74860	0.2
78.95914	13.1
87.74812	0.2
104.97490	0.7
106.87665	0.2
110.98545	9.6
135.11183	0.2
137.00154	0.3
152.99641	0.5
167.01161	11.1
168.01505	0.5
185.02208	2.3
248.02913	0.2
255.23291	100.0
256.23633	10.6
313.06989	0.2
401.65378	0.2
423.25162	24.3
424.25516	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
68.95820	0.3
78.95910	12.9
93.12977	0.3
94.47848	0.2
94.99023	0.5
101.08904	0.2
104.97515	0.5
110.98547	10.0
137.00102	0.4
167.01163	10.9
168.01538	0.4
168.38823	0.2
185.02203	2.2
231.95569	0.3
255.23283	100.0
256.23615	9.8
345.89215	0.3
423.25162	22.4
424.25452	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	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
58.00587	0.8
59.01383	100.0
61.98835	12.4
69.56740	6.3
71.01394	14.4
71.05013	1.3
72.72151	0.7
72.99326	1.5
73.02956	2.7
74.02482	0.9
75.00892	2.1
78.95923	1.4
83.01422	1.1
85.02966	7.7
86.79398	0.7
87.00917	1.5
87.04526	36.6
89.02460	13.8
95.01423	2.1
96.96068	1.3
96.97000	2.4
97.06641	0.9
99.00893	1.3
101.02461	12.4
105.83460	0.7
107.05095	1.3
113.02476	12.8
119.03522	8.7
119.05068	3.0
120.05396	1.8
122.03770	0.8
123.00904	1.1
123.08242	1.2
124.98483	0.9
125.02508	1.6
127.07749	0.8
128.03601	2.1
129.09264	3.4
131.03532	0.9
133.02962	1.0
135.04535	11.3
135.05482	0.9
136.04866	5.0
137.06087	0.8
139.04025	0.8
139.07713	1.0
139.11285	6.0
143.03619	1.5
143.04623	1.7
144.05051	1.2
146.79507	0.9
149.02493	3.3
150.03268	4.6
151.04024	1.0
157.12445	1.6
161.02490	4.5
161.04550	3.8
162.02844	2.3
163.04079	2.9
164.01172	0.9
164.04662	3.6
165.02022	1.5
165.05589	6.6
166.02734	0.9
175.09781	7.0
175.88889	0.8
179.03526	1.2
179.05656	3.4
179.07103	1.2
180.04431	1.3
181.01488	1.4
183.10225	1.7
195.06662	5.2
199.09828	1.7
201.11336	58.6
202.11739	3.9
206.04636	5.4
207.04976	3.5
208.15793	0.7
220.11499	0.7
225.00880	0.9
225.11359	6.9
243.12419	2.9
249.06259	1.1
255.12454	1.1
270.06293	0.8
270.23898	0.9
273.13705	0.9
299.11301	1.7
306.07660	1.6
307.07889	3.8
308.07883	0.9
337.15106	4.1
343.10159	3.5
345.15805	1.0
363.16599	8.1
375.14758	2.8
378.09778	0.9
379.16077	4.6
393.11880	1.6
423.05780	12.0
423.10614	1.3
423.14218	1.8
423.18347	4.0
424.05807	2.5
424.13895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
56.38551	1.0
56.49754	0.8
56.55590	0.9
57.03449	2.2
59.01379	100.0
60.01717	1.4
61.98837	12.0
71.01391	17.5
71.04972	1.2
71.71806	1.4
72.99316	1.3
73.02944	5.8
74.02477	1.2
80.91722	1.2
83.01391	4.3
85.02954	11.4
87.00881	1.4
87.04522	28.8
88.98855	1.0
89.02455	11.7
93.03430	1.6
95.01391	3.2
96.96002	1.4
96.96964	1.9
97.84400	0.9
99.00887	1.6
99.08150	2.4
101.02456	16.4
103.00397	1.2
107.05002	1.0
109.06644	1.2
111.00877	1.1
113.02458	14.6
119.03524	5.4
119.05020	3.6
120.05443	1.4
122.03694	1.6
125.02441	2.8
128.03575	2.0
129.09225	5.3
135.04547	9.6
136.04892	5.8
137.06067	1.8
139.11298	5.0
143.03525	2.0
143.04533	1.8
149.02493	7.8
150.03261	12.2
151.04008	1.0
161.02448	4.0
161.04576	6.2
162.02800	1.3
163.04027	4.3
164.04622	2.4
165.01971	1.1
165.05614	14.4
175.09767	20.4
179.05559	2.6
179.07166	3.9
180.04393	1.1
183.10228	2.0
195.06648	10.4
199.09795	5.0
200.84100	1.0
201.11334	47.4
202.11650	4.2
206.04552	3.7
207.04932	2.3
225.11324	5.4
227.09204	1.1
242.98488	1.0
243.12357	2.3
247.04526	1.4
255.12407	1.7
259.78171	1.0
291.14459	1.3
299.11197	1.7
306.07541	1.0
307.07883	3.1
317.11511	1.0
319.13983	9.9
320.14270	1.6
337.15045	37.4
338.15253	2.4
343.09833	3.5
363.16626	8.0
375.14511	7.8
379.16092	37.9
380.16351	4.1
393.11972	2.3
423.05881	14.8
423.12717	3.0
423.18414	6.5
424.05463	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	421.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
61.39738	0.1
61.98828	0.7
69.95329	0.8
71.01383	0.5
72.99303	0.2
75.00875	0.3
77.35526	0.1
78.91888	0.2
83.01392	0.2
83.05896	0.1
84.08202	0.3
85.02967	0.2
85.42623	0.1
89.02495	0.2
99.00914	0.2
101.02465	0.2
101.43855	0.1
112.98824	0.3
113.28923	0.1
115.00398	0.2
130.08759	100.0
131.09109	3.5
135.04529	0.2
161.04561	0.2
173.01083	0.2
175.02463	0.1
206.04512	0.2
349.16232	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66497	0.4
54.63215	0.3
59.01387	0.4
61.98835	0.4
70.79169	0.3
70.79506	0.8
78.95906	26.4
80.96532	0.4
96.96013	0.4
100.42166	0.3
101.44044	0.3
110.98544	47.1
111.15446	0.3
111.59597	0.3
135.04482	0.4
152.99608	4.0
167.01157	1.5
185.02213	100.0
186.02576	2.5
197.79555	0.3
253.21713	27.7
254.22057	2.9
266.92871	0.3
297.67865	0.3
421.23489	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	422.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93609	0.4
57.24302	0.4
59.01379	5.2
60.01724	0.5
61.98834	24.1
63.99249	1.3
69.46214	4.1
71.01393	2.1
72.00916	0.6
79.95743	6.2
80.96536	0.9
85.02962	0.9
89.02449	2.2
93.03465	0.9
100.00417	2.3
101.02482	2.1
104.65403	0.5
106.04260	0.5
107.05057	5.1
109.02965	1.6
113.02457	1.5
119.05048	30.2
120.05384	1.6
121.26553	0.5
133.02969	6.1
133.03893	0.7
134.03809	0.8
134.06143	4.1
135.04546	97.8
136.04865	3.7
136.07701	0.7
148.05341	0.8
149.58826	0.5
159.10292	2.0
161.02469	32.7
162.02794	2.1
162.05678	0.9
163.04025	24.6
164.04393	1.6
165.19429	0.4
173.46861	0.5
178.05099	1.8
179.05635	0.8
180.06662	5.0
190.05038	0.6
199.00677	0.9
206.04590	45.7
207.04938	2.9
214.01823	2.4
254.05017	0.5
260.02353	0.7
276.61447	0.4
286.00275	0.8
298.10864	13.3
299.11188	1.2
325.09116	0.6
342.09836	20.9
343.10056	2.9
378.06540	1.9
411.44962	0.7
422.05524	100.0
423.05795	13.5
423.18338	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	422.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34169	0.8
57.03464	1.0
58.02975	5.8
59.01381	19.1
61.98832	3.8
64.94036	0.9
70.02985	2.2
70.21330	3.9
71.01379	5.0
71.05029	1.3
72.00918	1.8
72.99316	0.9
73.02959	1.5
74.02483	14.8
75.00874	1.1
77.79053	0.8
79.95748	1.7
82.03010	1.3
84.04529	1.0
85.02954	2.3
86.02470	6.8
86.99113	1.0
87.00886	1.2
87.05660	2.7
88.04056	0.9
89.02453	2.5
93.03513	1.3
96.04586	1.0
96.96035	1.2
97.04097	1.4
99.05656	13.4
101.02457	4.8
101.07258	2.1
102.05646	1.7
107.05037	2.1
109.02973	1.1
109.04091	1.2
112.04084	2.0
113.02453	3.4
116.01757	1.0
119.05038	7.3
123.00923	1.0
123.05676	1.0
124.04070	1.1
125.02476	1.9
125.03551	1.4
127.05151	2.6
128.03564	36.2
130.08769	1.2
131.04636	0.8
133.02968	2.2
134.06125	1.8
135.04553	26.6
135.05608	2.7
136.04852	1.7
137.02498	0.9
137.07182	0.9
141.06715	3.6
143.04645	49.9
144.05061	1.1
145.06187	2.8
146.03586	1.0
146.04597	5.1
146.08246	4.5
147.08588	2.1
149.02423	2.0
150.03232	3.4
153.01999	1.3
153.05559	1.2
153.06725	3.3
160.00780	12.5
161.02449	8.7
161.04539	1.6
163.04031	7.0
165.05579	3.5
166.09859	2.2
167.04648	3.3
167.08281	2.3
177.03406	5.3
179.04640	9.0
185.05728	1.4
195.06589	1.8
197.05719	1.7
201.11444	1.2
206.04608	14.0
210.08849	9.7
213.03523	1.0
217.11952	1.1
231.04402	1.2
242.07884	1.4
247.07170	1.1
254.07828	10.6
261.13461	2.0
272.08896	21.1
273.08966	0.9
277.12274	2.6
278.12585	5.7
279.12033	1.6
281.64465	0.9
285.08737	1.3
288.06656	7.3
289.35052	0.8
298.10870	3.6
306.07657	100.0
307.08041	7.3
342.09875	7.1
343.09744	1.5
345.15378	1.2
363.16553	1.2
393.11874	2.6
404.14999	4.9
405.14828	0.8
422.05566	24.0
423.05817	2.7
423.12668	4.0
423.18710	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	421.208
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01885	3.4
57.03452	4.0
58.00594	1.1
58.02970	3.2
59.01382	31.4
61.98834	10.3
69.03430	0.9
71.01387	52.2
71.72261	0.8
72.00898	1.5
72.01715	1.1
72.27669	0.4
72.99319	3.1
73.02953	24.1
73.04070	2.1
74.03300	0.7
75.00878	1.2
77.14359	0.5
81.03433	0.5
83.01400	8.9
83.02449	0.5
85.02960	25.6
86.00107	1.2
86.03259	0.7
86.75190	0.5
87.00880	3.1
87.04519	0.5
89.02454	10.6
95.01424	3.4
97.02932	1.5
98.02455	1.1
99.00893	12.5
101.02457	42.9
102.02766	0.9
111.00867	1.7
112.01675	0.9
112.07780	0.5
113.02467	22.1
114.02814	0.7
115.05148	1.3
119.03511	1.6
119.04977	0.6
120.48669	0.5
123.04532	0.6
125.02451	1.5
129.01938	2.0
129.10303	2.3
130.10703	1.0
131.03491	1.5
133.02963	1.0
134.03772	0.8
135.04530	2.7
137.02577	0.5
138.03204	1.2
143.03511	1.8
145.01450	1.1
147.04527	3.7
148.04872	1.9
151.08702	0.6
152.07166	2.2
153.07565	0.7
153.84767	0.5
159.03047	4.0
160.01674	0.6
161.02557	3.0
161.04575	16.3
162.02814	0.5
162.04904	0.7
164.07184	7.4
165.07481	4.0
168.11441	2.6
169.11827	1.4
179.03522	1.4
186.12509	6.0
187.12833	3.9
191.05640	0.5
197.11787	0.6
206.04573	0.6
210.12453	3.0
211.10925	0.9
211.12836	3.3
212.11139	0.6
221.04477	0.6
223.13289	0.7
233.16690	1.2
234.16870	2.3
260.15024	0.6
277.15408	0.8
278.15839	1.4
289.16565	52.5
290.16766	4.8
291.19016	1.4
323.07571	1.3
333.20038	1.3
342.09720	0.8
376.18927	3.0
377.19135	26.1
378.19238	2.7
421.20761	100.0
422.05649	1.0
422.21118	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58493	2.9
59.01379	71.5
61.98833	29.1
70.58394	8.2
70.58788	2.3
71.01400	17.5
72.99309	3.2
73.02951	4.7
74.02493	3.2
75.00879	3.8
76.74339	2.5
79.95755	4.9
85.02958	7.7
87.00865	3.2
89.02442	8.4
90.73063	2.6
93.03463	5.1
97.70670	2.3
98.02519	2.7
98.20557	2.9
99.00906	2.9
101.02444	8.2
107.05048	7.4
113.02489	6.9
118.83148	2.3
119.03580	5.5
119.05047	29.3
133.02946	6.8
134.03801	2.6
134.06120	4.0
135.04549	100.0
137.02425	4.3
143.04587	2.4
145.02951	2.7
148.05403	2.9
149.02444	7.3
161.02473	33.0
161.04561	5.4
163.04021	32.6
164.04846	13.9
171.10255	3.8
179.03407	3.5
179.05679	4.7
179.07146	5.9
180.06627	3.2
190.02744	9.1
191.03455	4.4
205.05115	13.6
206.04518	43.8
208.03879	3.3
214.01897	3.9
217.10793	2.7
221.08258	5.9
223.06087	20.8
225.05295	4.0
250.04747	3.4
253.04652	11.3
259.11871	4.9
265.07144	27.3
266.07590	3.3
295.08231	13.2
298.10852	13.8
305.04535	3.5
325.09409	23.6
335.07745	3.4
335.20868	4.7
342.09912	20.1
361.18781	4.2
377.21860	3.2
378.07004	3.5
385.11346	13.8
421.16348	50.6
421.20874	4.5
422.05524	92.8
422.16772	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	421.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79677	0.4
57.03450	2.8
58.02973	2.6
59.01382	2.3
61.98793	0.4
67.53983	0.4
70.02231	1.4
70.02663	0.8
70.02983	9.7
71.01393	0.8
71.05026	14.1
72.00919	0.9
72.54893	0.4
74.02473	0.5
87.05647	6.6
99.04529	5.5
101.02470	0.9
113.02460	0.7
115.05153	1.7
116.07195	2.5
119.05051	1.6
128.07207	0.4
129.05614	1.2
130.03342	9.0
133.02953	0.7
135.04547	4.1
143.04672	1.1
146.08258	83.8
147.06000	4.3
147.08612	2.6
153.66553	0.4
157.08698	1.3
161.02480	2.9
163.04080	1.0
176.69479	0.4
183.81363	0.4
205.05057	0.7
206.04559	2.5
217.11960	19.1
218.12213	1.3
241.01740	0.5
243.13550	0.6
276.69363	0.4
277.12283	100.0
278.12601	8.7
281.13687	0.4
306.07639	1.4
319.13440	0.9
342.09836	1.2
377.17960	0.6
385.11475	1.2
421.16611	2.9
422.05563	3.4
422.16898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	84.4
61.98829	26.5
71.01383	34.5
71.71490	13.3
71.71842	8.7
85.02949	16.9
87.00882	9.7
89.02468	17.6
101.02476	10.9
113.02473	11.2
135.04532	50.2
146.08264	27.6
152.01175	8.5
157.08759	14.5
161.02452	16.1
164.65953	9.1
187.09892	10.1
206.04568	10.7
217.10709	11.2
250.64482	9.3
277.12289	53.8
342.09677	11.2
377.18100	88.5
403.23544	12.0
421.16394	100.0
421.24762	18.0
422.05423	30.9
422.17444	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	420.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14392	0.3
55.01885	0.8
57.03444	1.1
58.00590	0.5
58.02977	10.5
59.01382	8.3
61.98830	4.1
66.00923	0.3
69.03484	0.3
70.02961	0.3
71.01386	11.5
71.02496	0.3
72.00913	4.7
72.99319	0.8
73.02956	4.7
73.04075	7.3
74.02499	0.4
75.00890	0.4
82.06635	0.9
83.01389	2.0
83.04992	0.3
85.02955	5.3
86.00109	0.3
87.00896	0.7
87.85261	0.3
88.98806	0.3
89.02469	2.2
90.14702	0.3
91.05557	2.9
93.80468	0.3
95.01399	1.0
96.03318	0.3
97.03043	0.4
97.04071	1.1
98.02497	3.5
99.00896	2.8
101.02459	8.6
106.64038	0.3
108.08239	1.8
110.27150	0.3
111.00919	0.3
111.04478	0.6
112.01707	0.4
112.07679	0.8
113.02458	4.6
114.09282	0.3
115.05161	4.6
116.03524	0.7
118.06637	0.7
118.98212	0.3
119.03510	0.6
125.02461	0.4
126.09266	0.8
129.01988	0.4
129.10358	13.0
130.08752	0.4
130.10690	0.3
131.03514	0.5
133.02977	0.8
134.03868	0.5
135.04573	1.3
139.08755	0.7
140.10831	0.4
141.10358	1.7
143.11911	1.2
147.04547	18.1
148.04889	0.7
151.08784	1.3
152.07191	7.9
152.10773	0.6
153.05446	0.8
153.07524	0.3
154.08679	0.3
155.08336	1.5
159.03073	0.7
160.01723	0.7
161.02470	2.0
161.04541	3.4
164.07185	41.6
165.07527	2.3
166.85959	0.3
168.11447	15.6
169.09846	2.2
169.11763	0.5
175.04034	0.5
179.03551	0.9
186.12495	33.6
187.12805	1.8
196.09808	1.0
205.86708	0.3
210.12486	21.7
211.10887	3.0
211.12834	1.1
223.73538	0.3
228.13570	3.0
233.16597	10.0
234.16864	0.9
242.11882	0.5
251.05566	0.4
259.14532	1.3
277.15555	5.7
278.15826	0.5
289.16571	12.6
290.18738	8.6
290.21896	0.6
291.19031	1.0
323.07751	0.5
332.19781	4.2
376.18777	100.0
377.19119	12.3
402.20410	1.3
408.19708	0.4
420.21390	19.9
421.20779	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
60.39025	0.2
61.98834	100.0
62.98549	0.2
66.92939	0.2
71.01389	1.8
71.04960	0.5
72.01698	0.2
72.99339	0.3
73.02957	0.5
74.02462	0.2
75.00880	0.3
78.91911	0.4
80.46754	0.1
83.01402	0.4
85.02963	0.5
89.02460	1.2
95.01439	0.3
99.00910	0.3
101.02465	0.8
108.02242	0.2
109.03053	0.2
111.00939	0.3
113.02470	1.0
113.57241	0.2
115.04067	0.2
116.92912	0.2
118.98123	0.7
119.03484	0.4
119.05018	0.3
121.03012	0.3
123.04613	0.3
125.02478	0.3
127.07668	0.2
134.06160	0.4
135.04576	0.3
137.02463	0.3
143.03615	0.2
146.08287	0.3
147.04494	0.2
153.05597	0.2
161.02499	0.4
161.04622	0.4
179.10677	0.2
180.04300	0.4
181.05083	0.2
183.06749	0.4
184.06952	0.3
184.11360	0.2
185.05655	0.2
195.06624	1.0
199.09819	0.6
211.06064	0.2
276.54517	0.2
277.12369	0.5
281.31577	0.2
357.12198	0.5
361.15076	0.4
361.19000	0.3
362.68994	0.2
377.17844	0.3
403.61551	0.2
420.04242	0.5
420.09546	0.2
420.20755	0.2
421.12567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55028	0.6
57.03446	0.7
58.00940	0.7
58.02980	7.1
59.01378	11.1
61.98832	13.2
66.03492	0.8
67.53035	0.6
71.01385	3.6
71.37951	1.1
72.00920	1.1
73.02923	1.0
74.02481	15.1
75.00879	1.4
78.91890	0.8
80.91683	2.2
81.04589	1.2
82.02997	1.9
83.01425	1.0
84.04521	0.6
85.02956	1.7
85.04066	1.0
86.02478	5.4
86.06131	0.9
86.99089	0.8
87.05636	3.9
88.04055	1.3
89.02453	4.2
90.00191	1.6
93.03520	0.8
95.01425	0.7
96.96040	1.3
97.04084	1.9
99.05654	14.1
99.99863	1.1
101.00636	0.9
101.02447	2.0
101.04315	1.2
101.07246	3.7
102.05603	2.0
107.06174	0.8
109.04068	1.5
109.07697	0.6
111.05650	1.1
112.04054	1.5
113.02479	1.4
113.03577	0.9
116.01827	0.9
116.92852	0.7
118.98094	2.3
119.03545	1.4
123.05611	1.5
124.04111	0.8
125.02457	1.6
125.03606	1.4
127.05130	3.0
128.03555	38.4
129.03830	3.1
131.04591	1.1
135.05669	2.9
137.07214	1.0
141.06711	2.9
143.04639	50.9
144.05003	1.5
145.06215	2.1
146.04616	5.2
149.02415	0.7
151.03995	0.9
153.06750	3.2
155.08279	0.8
160.00755	11.5
161.02539	0.7
161.04520	0.7
165.05171	0.9
166.09866	3.6
167.04686	3.2
167.08315	2.0
170.03331	0.8
177.01994	1.0
177.03427	5.6
179.04625	10.2
179.07120	1.1
181.06216	1.4
185.05681	1.9
189.04355	1.1
192.07777	1.7
197.05727	2.3
198.08638	1.4
210.08865	10.0
242.07707	0.9
254.07809	13.2
272.08862	20.9
272.11835	1.1
273.09216	2.0
288.06586	8.1
295.92480	0.7
306.07654	100.0
307.07971	8.2
357.08270	1.5
394.51022	0.7
420.03973	0.8
420.09735	1.0
420.14722	6.7
421.17532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
59.30880	0.2
61.98834	100.0
68.20839	0.1
70.03640	0.7
71.01383	1.8
73.02950	0.7
75.00891	0.2
77.85362	0.2
83.01396	0.2
85.02969	1.0
87.00923	0.2
87.43298	0.2
89.02476	0.5
98.20533	0.3
99.00910	0.2
101.02467	1.2
113.02477	0.9
121.03001	0.4
125.02461	0.3
131.85414	0.1
135.04617	0.2
137.02480	0.2
139.07669	0.8
139.52699	0.2
140.08047	0.4
160.01694	0.4
161.04597	1.9
162.04927	0.6
166.05128	0.5
167.03519	0.2
175.04070	0.7
239.32318	0.2
350.77750	0.2
357.15918	0.2
358.15823	0.9
382.02380	0.2
419.15506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98836	2.2
63.21883	0.4
69.59705	3.8
71.01383	0.5
83.05049	0.5
114.16396	0.5
125.54556	0.4
158.08258	2.8
259.20639	0.5
259.92422	0.4
275.14899	0.5
277.21722	100.0
278.22067	11.0
419.20804	1.2
419.29373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76249	0.4
51.03976	0.4
55.01883	0.8
57.03442	3.0
57.03678	0.5
58.00601	0.5
59.01381	19.9
60.77239	0.4
61.98835	2.8
67.01894	1.1
68.99809	1.4
69.03455	0.8
71.01386	18.4
72.99309	6.0
73.02946	1.8
75.00879	21.1
76.19685	0.4
81.03455	0.4
83.01429	0.5
84.02155	0.4
85.02959	22.7
86.03297	0.6
87.00881	8.5
87.04538	2.0
89.02457	3.8
93.03484	0.8
95.01395	5.2
99.00894	11.5
100.61975	0.4
101.02436	1.0
103.00409	2.4
111.00893	1.2
111.04528	1.1
112.01735	0.4
113.02464	28.5
114.02791	0.7
115.00395	2.3
117.01951	3.1
126.91304	0.4
129.01970	1.9
130.99870	0.4
131.03514	0.4
131.57410	0.4
157.01439	1.1
166.05556	0.4
169.12358	72.3
170.12718	4.5
175.02496	3.8
176.02812	0.4
179.69876	0.4
189.04095	0.5
205.07195	1.4
229.33549	0.4
231.05046	3.1
249.06142	27.1
250.06506	1.5
254.56432	0.4
257.21259	0.5
267.07214	3.9
332.05542	0.4
359.17081	1.6
401.18106	3.2
402.17914	0.5
419.19229	100.0
420.19629	14.0
420.25580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85295	0.4
59.01380	16.5
60.01721	1.1
60.99306	0.6
61.98832	100.0
69.50626	3.3
71.01031	0.6
71.01387	4.1
72.01726	0.7
72.99317	0.6
73.02954	1.0
75.81328	0.4
85.02969	1.2
87.00916	0.5
88.98815	4.7
89.02451	3.7
90.02840	0.6
99.00903	0.6
101.02466	3.2
102.02794	0.6
102.17339	0.3
113.02467	2.3
119.03550	1.2
123.78853	0.3
125.02480	0.9
133.03000	1.5
134.76077	0.3
135.04503	0.3
137.02501	0.8
143.03587	0.4
150.14426	0.4
161.02466	7.3
161.04527	2.4
162.02827	0.6
162.04892	0.7
167.03584	0.5
179.03506	0.5
179.05666	0.7
180.05981	0.4
223.09305	0.4
236.65306	0.4
241.42580	0.4
281.09280	0.5
354.70227	0.4
355.10330	8.8
356.10742	1.0
357.15744	0.7
358.15952	2.7
419.15771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01878	0.8
57.03453	1.4
58.00611	0.8
59.01384	86.4
60.01721	1.4
60.72943	0.4
60.99298	0.4
61.01819	0.6
61.98825	2.3
63.69885	0.4
70.58605	1.2
71.01389	11.9
72.99322	1.3
73.02966	3.4
75.00894	0.4
83.01408	1.7
83.20708	0.3
85.02966	4.9
85.62373	0.4
87.00894	1.4
88.53094	0.4
88.98825	0.4
89.02464	8.4
95.01429	1.5
98.19923	0.4
99.00908	1.6
99.04557	1.4
101.02463	12.0
109.03006	0.6
111.00947	0.6
113.02473	4.9
119.03540	2.6
120.53630	0.4
123.00977	0.5
125.02491	0.6
134.03760	0.4
135.04559	1.1
137.02484	1.7
143.03464	0.4
151.00412	1.7
160.04068	0.4
161.04594	1.1
165.01924	0.4
166.02728	5.3
167.03606	0.5
179.03458	0.4
179.05673	0.5
181.05084	6.3
182.05350	0.5
223.96097	0.4
227.03532	1.5
255.02997	1.3
281.06662	0.5
284.03311	1.6
285.03976	0.8
287.08179	0.4
327.71750	0.4
330.72015	0.4
357.19241	1.5
373.18613	0.5
387.11029	0.9
399.20090	3.3
402.13382	1.1
417.16385	3.4
417.21310	100.0
418.16080	0.8
418.21695	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	417.2495
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
50.31595	0.3
55.01878	4.4
57.03448	4.9
58.00592	3.2
59.01380	58.9
60.01715	0.6
61.98831	2.0
68.99803	0.4
69.03453	1.0
69.99882	0.3
71.01386	100.0
71.72004	0.4
72.01715	1.8
72.99318	4.8
73.02952	24.3
74.03259	0.3
75.00870	1.5
81.03458	0.7
83.00893	0.6
83.01396	11.4
84.01706	0.3
84.02181	0.7
85.02960	38.1
86.00098	0.4
86.03289	0.9
87.00885	4.2
87.04531	2.1
89.02454	36.9
90.02777	0.2
95.01395	6.2
96.01718	0.3
97.02970	2.5
98.02509	0.3
99.00895	9.8
101.02457	67.9
102.02807	1.7
111.00887	1.0
112.01657	0.3
113.02462	40.9
114.02807	1.1
119.03519	14.2
121.02979	0.4
125.02474	2.3
129.01958	1.4
131.03540	1.7
139.00368	0.3
143.02397	0.4
143.03528	6.1
149.04562	0.9
159.02995	8.6
161.04576	50.4
162.04916	2.0
166.02789	0.3
167.03415	0.4
179.05627	5.5
179.14491	0.2
201.11684	0.3
205.03517	2.2
219.13928	0.3
255.19666	3.8
291.16119	0.3
417.24985	56.4
418.25378	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	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39044	0.1
55.01865	0.2
57.03441	0.3
59.01378	4.1
61.98833	100.0
62.98542	0.2
68.24514	0.2
70.58591	0.3
71.01392	1.4
72.99317	0.5
73.02959	0.4
75.00895	0.4
83.01428	0.2
85.02974	0.7
87.00915	0.4
89.02464	0.6
99.00922	0.3
101.02433	0.9
111.00924	0.2
113.02493	0.6
115.00408	0.2
123.04533	0.2
125.02453	0.7
129.02014	0.3
137.02472	0.3
139.07712	0.3
149.02495	0.3
149.06253	0.2
150.02859	0.2
151.04077	0.2
161.04547	0.8
165.05196	0.2
167.03561	0.2
175.04184	0.2
209.06741	0.5
209.81627	0.2
225.06802	0.2
231.03053	0.2
241.07370	0.6
242.08189	0.2
249.06226	0.2
267.07074	0.3
281.09265	0.3
306.07077	0.2
355.10748	0.2
359.11472	0.2
359.17169	0.5
404.14835	0.2
418.12729	0.3
419.15457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03468	1.2
58.00590	1.1
58.81521	0.5
59.01381	100.0
60.01722	1.2
61.98835	33.2
63.98864	0.5
69.73461	3.2
71.01387	29.3
72.99322	1.8
73.02954	3.7
75.69895	0.5
79.52542	0.5
83.01414	1.5
85.02960	8.5
87.00894	1.4
89.02454	26.9
95.01408	2.0
99.00908	2.1
101.02459	19.4
108.12605	0.5
108.78694	0.5
113.02464	14.2
113.03239	0.8
119.03523	11.6
125.02491	0.9
129.02031	0.4
131.03568	2.0
133.02985	1.1
133.36087	0.5
135.04491	0.6
143.03526	4.3
149.04588	1.1
159.02998	1.9
161.02510	8.7
161.04572	23.1
164.78516	0.6
177.09219	4.8
179.05640	6.8
195.10303	2.0
205.03568	0.9
217.38454	0.5
295.44336	0.5
355.10336	10.2
355.14587	0.7
357.15555	32.3
358.15985	3.9
376.59811	0.5
417.12500	0.9
417.17828	2.1
418.18436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03439	4.1
58.00584	0.8
59.01384	26.9
60.95494	0.8
61.14259	0.9
61.95208	0.8
61.98825	6.9
63.23902	0.8
68.99809	3.3
69.03461	4.7
71.01386	28.9
72.99311	9.9
73.02946	2.1
75.00881	32.8
81.03455	1.2
83.01379	2.6
85.02963	34.0
85.06545	1.0
87.00874	11.2
89.02452	7.9
91.04037	1.7
93.03474	1.1
95.01415	7.6
99.00900	14.2
99.08163	3.4
101.02449	1.4
103.00367	4.1
103.04031	0.9
111.00914	1.7
112.01666	1.0
113.02473	40.9
114.02768	1.4
115.00383	5.9
117.01959	4.5
121.02984	2.0
121.10252	1.3
129.01958	3.1
131.03503	1.3
139.00447	1.5
149.09703	2.1
157.01460	1.4
167.10793	59.7
168.11133	4.2
171.00673	0.8
175.02469	4.9
205.07126	2.2
207.03062	1.3
207.05077	2.7
231.05145	3.9
249.06151	53.0
250.06549	2.2
267.07205	100.0
268.07523	5.2
287.75623	0.9
291.16031	1.5
299.39819	0.9
352.09189	1.0
417.17676	93.1
417.22668	4.3
418.18127	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36710	0.6
55.01869	1.3
57.03445	4.0
58.00583	0.7
59.01379	40.0
61.98832	5.3
63.02383	0.9
63.57925	0.7
65.00325	3.1
67.01874	1.0
68.99825	1.2
69.03458	0.7
71.01388	22.9
71.71570	0.9
72.99313	7.3
73.02956	3.1
75.00877	21.8
81.03417	0.9
83.01397	3.8
83.05019	0.7
85.02960	28.5
85.50719	0.6
87.00887	9.1
89.02460	6.9
91.04082	0.6
93.03413	0.8
95.01385	7.0
99.00892	14.1
101.02459	2.8
103.00379	3.7
103.00976	0.6
107.01415	3.4
108.02209	1.1
111.00861	0.8
113.02460	37.2
114.02758	1.4
115.00423	1.0
117.01969	3.4
121.10144	0.9
129.01959	2.5
131.03525	0.7
145.06589	1.8
149.09746	1.6
151.00383	5.6
157.01450	1.1
160.15221	0.7
164.01190	0.9
165.05762	0.9
167.10791	55.7
168.11125	2.6
169.06538	1.3
171.04510	2.1
172.05142	0.9
175.02481	4.4
187.07629	1.7
193.03545	1.0
205.07133	1.6
211.07657	4.0
213.05612	3.5
223.08154	1.0
231.05032	0.9
249.06187	13.7
250.06487	0.7
255.06635	64.6
256.06924	6.0
267.07196	10.4
269.08041	1.0
269.13202	1.0
271.14581	1.2
279.06696	4.2
297.07697	3.3
309.07697	0.8
327.13571	5.1
357.15433	1.9
367.13998	0.7
399.16489	2.3
400.16592	0.8
417.17651	100.0
418.17984	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.01614	0.6
57.03451	2.0
59.01381	100.0
60.01707	1.0
61.98824	2.0
69.03458	0.7
69.43361	0.6
71.01385	30.1
71.71596	0.9
72.99313	1.5
73.02951	9.6
75.00896	0.9
82.53468	0.6
83.01421	2.6
83.05037	0.5
85.02960	12.5
87.00902	1.7
89.02449	5.5
95.01417	2.0
97.02985	1.3
99.00890	5.8
101.02457	21.8
101.95922	0.6
108.19253	0.6
111.00935	0.7
111.08121	0.7
113.02464	12.3
119.03537	1.9
121.02982	5.0
125.02483	2.2
128.03619	0.6
129.01965	0.9
129.53815	0.6
137.51102	0.6
139.07703	7.2
143.03473	2.7
149.02487	1.4
159.03038	3.6
161.04579	36.4
162.04941	1.5
165.09279	2.0
179.05692	0.9
195.10327	1.3
205.03537	0.7
305.06534	0.8
357.15546	21.9
358.15897	3.0
417.12064	1.9
417.18060	2.5
418.17166	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03456	5.5
58.00580	1.1
58.22741	0.7
59.01382	34.4
61.98831	8.4
67.01903	1.9
68.99820	2.4
69.03461	2.1
71.01389	33.9
71.01809	0.7
72.01715	1.0
72.99316	9.4
73.02965	3.1
75.00882	30.2
77.47279	0.6
83.01376	1.6
83.05040	1.7
85.02962	40.6
86.03286	1.0
87.00894	13.2
89.02453	10.2
91.04029	1.4
93.03465	1.7
95.01396	9.7
97.06593	0.7
98.20623	2.7
99.00890	17.5
100.01231	1.0
101.02431	1.5
103.00385	4.4
108.02178	0.7
109.02966	0.8
109.93085	0.7
111.00909	2.4
111.04568	1.3
111.08176	4.2
113.02470	49.2
114.02796	1.8
115.00384	4.5
117.01958	5.1
121.03007	1.4
121.10269	1.4
125.09756	3.0
129.01991	3.2
131.03543	1.3
131.24866	0.7
139.00375	2.6
157.01495	1.4
164.98311	6.1
167.10802	34.6
168.11116	2.4
173.08218	2.7
175.02487	5.7
179.10809	0.8
182.99380	4.4
187.09792	3.0
189.04088	1.0
205.07146	4.1
207.05061	1.5
222.08897	0.7
223.08197	1.3
231.05113	3.0
247.11932	1.0
249.06154	46.5
250.06511	3.6
267.07202	92.3
268.07507	4.9
291.15884	0.7
315.36823	0.9
399.16678	2.4
417.17639	100.0
418.17984	13.7
418.23102	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03453	3.4
58.00601	0.7
59.01381	43.1
60.01727	0.4
61.98840	2.7
67.01903	1.3
68.00515	0.3
68.99829	2.3
69.03464	1.3
71.01389	21.7
72.01720	0.8
72.99314	7.4
73.02959	2.5
73.68240	0.3
75.00881	26.8
81.03466	0.8
83.01402	1.1
83.05058	0.5
84.02168	0.5
85.02962	25.7
86.03323	0.5
87.00888	9.6
89.02448	5.3
93.03475	1.4
95.01406	7.3
97.02964	0.7
99.00896	12.6
101.02471	1.1
103.00403	3.6
109.02975	0.9
111.00900	1.2
111.04538	1.0
113.02466	33.1
114.02787	1.1
115.00390	2.4
115.92163	0.4
117.01947	3.7
121.02982	0.5
121.10247	0.5
129.01967	2.4
129.66895	0.3
131.03497	0.5
139.00388	0.4
140.06847	0.4
145.36330	0.3
149.09721	1.2
157.01448	1.2
157.06760	0.4
167.10794	75.0
168.11145	4.5
175.02493	3.8
189.04091	1.3
193.88727	0.3
205.07161	0.9
213.46335	0.3
229.80055	0.4
231.05067	4.0
249.06151	37.4
250.06607	1.8
255.06712	0.4
267.07214	6.6
269.07614	0.3
357.15485	1.5
399.16586	4.7
400.16949	0.4
417.17673	100.0
418.18033	13.6
418.23718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30971	0.3
59.01374	1.3
67.24585	0.3
70.86459	0.6
70.86856	0.7
71.01403	1.8
73.02955	0.8
79.01865	0.3
85.02981	1.3
89.02456	0.6
95.01403	1.2
99.00851	0.4
108.02193	49.4
109.02994	19.8
109.03535	0.3
110.03294	0.8
110.11693	0.3
121.03011	0.3
123.00922	1.1
123.04524	0.5
133.03047	0.5
135.04579	0.4
151.04027	2.3
152.01178	92.8
152.51295	0.3
153.01512	4.6
157.30463	0.3
162.33002	0.3
163.04028	1.8
163.75966	0.3
173.85178	0.3
179.03563	0.7
202.37198	0.3
207.02841	0.4
233.49205	0.3
241.07161	3.8
245.52310	0.3
285.06152	1.3
309.35941	0.3
417.10388	100.0
418.10712	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3222
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
59.01382	0.6
61.98822	0.9
66.36087	0.3
98.20612	0.8
128.84117	0.3
157.61101	0.3
187.09550	0.3
415.32199	100.0
416.32547	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	417.0831
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01382	5.8
61.98839	2.0
63.19277	0.3
71.71793	0.6
73.02950	0.8
78.10966	0.4
85.02965	1.2
88.98801	0.5
89.02455	0.8
101.02430	1.1
109.01719	1.3
109.02930	0.4
113.02491	0.5
119.03526	0.7
125.02448	1.0
132.02138	0.5
135.00879	0.5
137.02441	0.4
149.02434	0.5
151.00414	2.3
161.02544	0.5
161.04655	0.6
163.00391	0.7
166.02777	0.7
166.08798	0.5
169.01547	0.4
181.05096	1.1
183.04538	0.9
187.04082	0.8
189.07008	0.6
210.07741	1.3
211.03992	1.6
214.02998	0.6
218.30818	0.4
227.03508	59.2
228.03857	4.8
229.05014	1.5
239.03285	0.5
255.02985	79.0
256.03540	13.0
257.04395	1.7
267.02750	0.4
284.03259	81.1
285.03897	23.3
286.04404	1.7
327.05270	1.0
373.18646	0.7
387.10791	0.5
417.08276	100.0
418.08609	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03437	1.2
59.01381	5.7
61.98834	0.5
68.99830	0.7
69.03458	0.6
70.70315	0.4
71.00994	0.6
71.01387	9.8
71.33737	0.6
72.99305	2.4
73.02938	0.8
75.00878	6.9
75.34051	0.4
83.01398	0.6
85.02960	9.2
87.00869	3.6
89.02451	1.7
91.04025	0.6
93.03465	1.1
95.01389	2.3
99.00892	6.3
103.00394	0.5
108.02191	8.8
109.02983	5.0
111.00916	1.0
111.03130	0.4
113.02463	10.0
115.00386	1.2
117.01894	0.6
121.02968	5.0
122.03772	3.6
123.03726	0.7
123.04557	11.0
129.01964	1.0
131.03548	0.5
136.01694	0.5
137.01376	0.4
137.02460	1.8
139.04015	1.9
149.02460	7.8
151.04034	0.5
152.01173	17.0
153.01675	0.9
154.02673	0.5
157.01463	0.7
161.33432	0.4
167.03517	6.4
168.03818	0.4
175.02512	0.9
195.06673	0.5
207.05048	0.4
230.60139	0.5
241.07143	4.0
249.06119	6.9
267.07184	11.4
268.07492	0.5
355.10168	1.8
373.11719	0.5
399.09335	2.6
417.10370	100.0
418.10684	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	415.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03473	0.6
59.01386	7.4
61.98835	100.0
65.65765	0.4
69.40592	0.4
71.01385	5.8
71.01753	0.5
72.99319	0.6
73.02973	3.0
74.58856	0.5
83.01416	2.3
85.02958	4.6
86.00119	0.6
86.96657	0.5
87.00911	0.7
89.02478	0.8
93.26589	0.4
97.02986	0.9
99.00912	1.7
101.02462	6.1
113.02469	2.4
121.03005	1.0
129.10374	0.8
130.08778	2.7
135.03024	0.5
161.04628	1.1
167.08400	0.5
167.10861	1.3
178.12411	1.0
181.45602	0.5
200.25583	0.5
217.52444	0.4
223.13490	1.3
266.12759	1.2
267.12613	1.6
352.22501	8.6
353.22574	0.5
357.06369	0.6
366.20789	0.5
415.23425	19.4
416.23834	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	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44983	0.2
55.01886	0.3
55.96807	0.2
57.03442	0.4
59.01382	100.0
60.01709	1.2
61.98836	1.7
69.03477	0.3
69.82614	1.7
71.01385	5.3
71.01755	0.4
72.99322	0.5
73.02953	1.5
74.02461	0.2
75.00858	0.2
83.01407	1.0
85.02963	2.4
87.00913	0.4
89.02457	2.6
90.98596	1.2
95.01430	0.6
96.49757	0.2
99.00910	0.6
101.02463	3.9
111.00918	0.2
113.02465	2.1
114.94477	0.3
119.03536	0.8
123.04566	0.4
125.02484	0.8
143.03484	0.4
151.00423	0.3
151.03992	0.3
159.02977	0.5
161.02534	0.6
161.04552	1.4
162.85890	0.2
167.03487	0.5
169.01480	0.5
176.21577	0.2
205.05199	0.2
223.13382	0.2
235.13246	0.3
267.07065	0.5
292.35077	0.2
297.13663	0.2
373.22293	2.4
415.20078	1.0
415.24356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44983	0.2
55.01886	0.3
55.96807	0.2
57.03442	0.4
59.01382	100.0
60.01709	1.2
61.98836	1.7
69.03477	0.3
69.82614	1.7
71.01385	5.3
71.01755	0.4
72.99322	0.5
73.02953	1.5
74.02461	0.2
75.00858	0.2
83.01407	1.0
85.02963	2.4
87.00913	0.4
89.02457	2.6
90.98596	1.2
95.01430	0.6
96.49757	0.2
99.00910	0.6
101.02463	3.9
111.00918	0.2
113.02465	2.1
114.94477	0.3
119.03536	0.8
123.04566	0.4
125.02484	0.8
143.03484	0.4
151.00423	0.3
151.03992	0.3
159.02977	0.5
161.02534	0.6
161.04552	1.4
162.85890	0.2
167.03487	0.5
169.01480	0.5
176.21577	0.2
205.05199	0.2
223.13382	0.2
235.13246	0.3
267.07065	0.5
292.35077	0.2
297.13663	0.2
373.22293	2.4
415.20078	1.0
415.24356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36830	0.6
52.55976	0.5
55.01880	3.2
56.14729	0.6
57.03449	2.4
58.00602	5.0
59.01381	100.0
60.01720	1.3
61.98823	4.2
62.02289	0.6
70.47922	1.9
70.48296	1.0
71.01387	74.0
72.01749	1.2
72.02177	1.4
72.99310	6.0
73.02954	8.2
75.00887	1.3
76.47047	0.6
83.01396	6.0
85.02961	22.0
86.00103	1.3
86.03305	0.7
87.00887	9.3
87.04514	0.9
89.02454	72.9
90.02755	0.8
95.01411	4.9
97.02975	0.7
99.00911	3.1
99.04575	0.9
101.02458	52.0
102.02762	1.2
111.00877	1.1
113.02460	28.9
119.03519	32.7
120.03814	0.6
122.60145	0.6
125.02407	1.6
131.03497	2.4
143.03516	5.6
149.04532	2.6
149.09708	0.9
159.02922	2.1
159.04388	0.8
161.04578	8.9
163.00363	0.7
165.05504	1.6
173.06024	1.1
174.06863	2.6
179.05643	9.3
179.14450	7.1
182.74133	0.6
191.14456	3.2
207.13820	2.0
209.13615	0.7
209.15477	10.0
217.12335	29.3
218.12587	2.4
219.13832	6.1
235.13393	37.1
236.13622	3.2
251.61310	0.6
262.76608	0.6
267.20758	0.6
275.01486	0.6
281.17407	1.2
351.47696	0.6
371.20718	9.2
372.20740	2.0
397.18738	5.2
398.18692	1.1
415.19339	65.4
416.19601	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	415.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
61.98833	100.0
62.14588	0.3
71.70822	0.5
123.08236	0.5
125.09770	0.5
129.10382	0.5
130.08781	1.9
145.64662	0.4
170.74796	0.4
171.10323	0.5
178.12427	0.6
207.73691	0.3
218.35542	0.4
221.13054	0.4
265.22830	0.6
266.12772	0.7
267.13629	0.4
300.96985	0.4
352.22440	7.0
353.22842	1.1
397.09903	0.5
415.21506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02697	0.3
55.01877	0.5
57.03446	2.6
58.00594	0.6
59.01378	16.0
61.98827	4.0
67.01897	0.4
68.99818	1.0
69.03452	0.9
71.01386	18.3
71.64776	0.6
72.99319	4.4
73.02938	1.2
75.00450	0.6
75.00878	12.0
78.25784	0.3
81.03465	0.5
83.01405	0.8
85.02959	19.9
86.03279	0.4
87.00883	7.4
89.02459	5.3
90.02793	0.3
91.04027	0.8
92.50214	0.3
92.70349	0.3
95.01403	3.4
99.00894	7.7
101.02467	1.1
103.00388	1.9
111.00903	0.5
111.04533	0.4
112.01678	0.4
113.02468	26.4
114.02791	0.9
114.95973	0.3
115.00399	1.4
117.01952	2.4
119.03513	0.6
119.08675	0.5
121.10249	10.0
129.01985	1.4
131.03540	0.8
139.00391	0.4
147.08188	1.3
149.04541	0.6
156.11261	0.3
157.01442	0.5
165.09215	5.0
167.06203	0.4
169.08963	0.3
175.02498	1.3
189.03990	0.4
193.06587	1.8
205.07169	1.0
207.05103	2.0
231.05081	0.9
249.06143	16.5
250.06459	0.8
267.07196	100.0
268.07538	5.8
415.16061	11.0
415.22971	1.9
416.16608	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	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71331	0.2
57.03447	0.3
58.00584	0.2
59.01381	100.0
60.01720	0.9
61.98835	1.4
69.38894	2.2
71.01390	4.1
71.05004	0.2
72.99313	0.4
73.02964	0.7
83.01405	0.6
85.02959	1.3
87.00920	0.5
89.02463	2.9
95.01419	0.3
98.19886	0.3
98.90236	0.2
99.00928	0.3
100.43163	0.2
101.02475	2.0
104.27959	0.2
113.02480	1.5
115.00346	0.2
119.03525	1.3
131.63454	0.2
135.04539	0.3
143.03506	0.3
159.03069	0.3
161.02501	0.4
161.04587	1.7
161.05823	0.2
163.04041	2.9
175.02493	0.3
178.06398	2.4
179.05630	0.3
179.26099	0.2
180.69092	0.2
191.05769	0.3
193.01686	0.2
193.08722	4.6
194.09137	0.3
209.06772	0.3
211.04047	0.6
239.03546	0.6
268.03922	0.5
289.59796	0.2
308.86075	0.2
399.08578	0.2
415.10400	0.4
415.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08727	0.7
55.01883	2.7
57.03444	3.9
58.00602	4.8
59.01381	100.0
60.01733	0.9
61.98833	23.3
67.78606	0.7
69.03461	0.8
71.01388	75.4
71.13014	1.7
72.01730	0.8
72.99318	8.5
73.02956	6.6
74.62406	0.6
74.62827	0.6
75.00887	5.9
83.01402	5.4
84.02184	0.8
85.02965	25.4
87.00877	12.1
89.02456	76.6
90.02775	1.2
95.01398	6.8
95.05087	0.8
97.02970	1.4
99.00893	6.2
101.02461	50.1
102.02809	1.4
103.00382	0.9
113.02466	40.7
115.00363	0.8
117.01952	1.7
117.69028	0.7
119.03520	31.7
120.03859	0.9
121.10260	3.2
129.01959	1.9
131.03505	3.1
143.03508	5.8
147.04468	0.6
149.04593	2.7
159.03035	1.0
159.04517	0.8
161.04570	8.6
165.05592	1.7
165.09299	3.8
165.12738	0.7
166.15184	0.6
173.06085	1.6
174.06847	1.8
175.02499	0.8
179.05646	10.9
179.14436	9.7
185.07225	0.9
187.07523	0.7
191.14433	3.0
207.13948	3.3
209.15469	9.2
210.15767	1.1
217.12340	31.4
218.12715	3.1
219.13931	6.9
235.13394	39.5
236.13736	3.0
242.09593	0.7
249.06131	5.4
249.64035	0.7
267.07205	35.3
268.07465	1.3
281.17590	1.3
352.13867	0.7
371.20731	10.6
372.21017	1.7
378.81400	0.8
397.18756	6.8
398.18973	1.0
415.19678	49.8
416.20108	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41516	0.4
53.02354	0.4
55.01894	0.6
57.03457	2.7
59.01379	4.2
61.98834	1.9
67.01901	1.4
68.99806	0.4
69.03477	0.4
69.99975	1.9
71.01384	4.3
72.98946	0.4
72.99321	1.6
73.02966	0.9
74.02463	0.9
83.01398	1.5
85.02959	10.8
87.00871	2.5
87.04598	0.5
88.98817	1.0
89.02464	0.8
89.04003	0.8
91.05539	1.1
93.03468	1.5
97.02963	0.9
98.19895	0.6
99.00909	1.4
101.02460	1.3
108.02187	8.8
109.02983	5.2
111.00888	1.3
113.02476	0.7
115.03999	0.5
117.03487	1.4
119.05045	1.7
121.02132	0.9
121.02972	14.0
122.03316	0.7
123.00906	0.6
123.04534	3.4
124.01685	0.5
125.09686	0.4
129.01967	5.3
132.02206	2.1
132.03067	0.4
135.04509	1.1
137.02473	1.2
141.01898	0.6
147.04547	7.2
149.02463	84.1
150.02818	2.8
150.06952	0.5
152.01170	9.8
153.01978	3.4
159.03073	1.1
161.04623	0.5
163.04031	1.1
164.04814	58.0
165.05191	3.2
167.03522	17.6
167.05701	0.5
168.03825	1.1
176.01212	0.5
179.07156	4.0
191.03577	1.3
191.05621	7.9
192.06021	0.5
208.03731	1.0
209.06674	25.3
210.06993	1.1
223.06123	100.0
224.06454	6.9
267.09799	0.5
380.18134	1.0
397.20834	0.6
415.12393	9.5
415.21185	1.1
416.12836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
56.83101	0.8
57.03436	3.4
58.00586	2.8
59.01379	63.3
60.01692	0.7
61.05350	0.7
61.98831	10.2
65.37301	0.7
70.46069	2.7
71.01385	50.3
72.99312	6.4
73.02946	3.4
73.32938	0.9
74.78687	0.7
75.00880	13.2
83.01376	3.6
85.02959	28.3
86.00080	1.0
87.00885	12.0
89.02451	38.8
95.01402	6.3
99.00874	9.2
101.02453	25.2
103.00381	2.9
111.00878	1.1
113.02462	38.5
114.02787	1.3
115.00327	0.8
117.01939	2.3
119.03518	15.3
121.10242	11.5
129.01962	2.1
131.03513	2.1
143.03540	2.3
147.08138	1.0
149.04544	2.4
153.00961	0.7
159.03026	1.1
161.04553	3.0
165.05557	1.0
165.09190	4.1
173.06129	1.1
175.02504	1.7
179.05630	3.8
179.14461	4.6
189.12959	0.9
191.14401	1.5
207.05048	1.5
207.13850	1.4
209.15427	2.5
210.15730	0.9
217.12332	12.1
218.12579	0.9
219.13913	4.8
235.13377	19.2
236.13814	1.8
249.06119	15.9
250.06479	1.0
267.07193	100.0
268.07480	6.7
311.20203	0.8
371.20523	4.3
397.18756	2.3
415.15628	4.5
415.19754	20.9
415.23627	3.3
416.20276	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41285	0.3
55.01864	0.6
56.31201	0.3
57.03434	0.8
58.00583	0.6
59.01380	8.8
61.98818	1.3
69.03454	0.3
69.56969	0.5
69.57377	2.0
71.01389	6.3
72.99316	1.6
73.02958	0.8
74.56401	0.2
75.00871	0.5
76.36393	0.3
83.01399	0.9
85.02962	3.5
87.00895	1.4
88.98820	0.6
89.02457	4.4
89.03971	0.3
93.03487	2.0
95.01397	0.6
97.02978	0.4
98.69759	0.3
99.00895	0.6
99.18546	0.3
101.02460	4.8
103.20229	0.3
103.65495	0.3
107.05125	0.3
108.02175	0.9
109.02993	0.9
111.00910	0.5
113.02482	2.4
117.03520	1.3
119.03507	1.1
119.05035	0.8
121.02974	1.3
123.00920	0.5
123.04544	0.8
125.02492	0.6
129.01892	0.5
132.02214	1.4
132.89105	0.3
133.02975	25.5
134.03391	1.0
135.03009	0.8
135.04546	8.4
136.01773	0.3
136.04906	0.6
137.02461	2.7
137.06232	0.3
146.03775	4.5
147.04474	0.7
148.91071	0.3
149.02457	5.5
151.04082	0.5
152.01173	0.9
153.01924	0.4
153.49437	0.3
161.02463	100.0
161.05933	2.0
162.02806	6.0
163.03998	0.4
164.04819	6.1
165.05122	0.3
167.03502	1.3
177.01952	1.1
177.05603	0.4
179.03558	3.8
179.07158	10.0
191.01949	0.3
191.03535	0.5
191.05621	0.7
201.17867	0.3
203.03604	0.5
209.02994	0.5
209.06578	1.7
221.08195	0.6
223.06111	6.2
224.06569	0.5
225.27312	0.3
230.04869	0.3
233.33907	0.3
251.09206	0.3
253.09216	0.6
304.73834	0.3
309.10007	0.4
405.91699	0.4
415.12454	64.2
416.12833	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	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38292	0.4
55.01889	0.9
56.94071	0.4
57.03446	1.6
58.00598	0.9
59.01381	77.9
60.01719	1.2
61.01810	0.4
61.09242	0.4
61.63530	0.4
61.98833	12.4
69.03458	3.8
71.01387	18.5
71.72296	0.9
72.99329	2.2
73.02959	2.8
75.00891	0.9
76.16393	0.4
81.03471	1.2
83.01413	2.6
83.01842	0.5
85.02963	5.5
87.00880	2.5
89.02454	16.2
89.02985	0.9
92.23867	0.5
95.01382	2.8
95.05103	0.5
97.02952	3.4
99.00912	1.4
99.08347	0.4
101.02457	13.8
101.03083	1.0
101.06078	2.4
102.98629	0.6
107.01451	0.8
108.02210	0.7
109.02971	1.0
113.02468	7.0
114.02787	0.7
115.00391	0.6
117.03497	0.7
119.03515	6.6
121.02975	1.4
123.00902	5.6
124.01678	18.7
125.02470	56.1
126.02805	2.0
127.44815	0.6
127.72877	0.6
131.03551	1.0
133.03050	0.6
135.04497	0.5
136.01697	0.7
137.02475	1.9
139.00311	0.6
143.03549	1.2
145.03011	1.1
149.04529	0.6
149.99609	31.8
151.00319	2.8
152.01115	0.6
161.02457	1.7
161.04527	3.4
165.02049	0.8
167.03580	2.0
168.00662	59.5
169.01410	5.7
177.01744	0.5
177.05687	0.6
179.03383	0.9
179.05653	1.7
202.51033	0.5
209.07224	1.1
223.66374	0.5
235.13501	1.6
253.14569	0.7
253.18182	0.7
267.07162	0.8
397.11285	3.8
415.12466	100.0
415.19431	4.9
415.24036	2.8
416.12848	11.7
416.18921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99448	0.7
55.01892	2.3
57.03448	13.4
58.00582	0.8
59.01381	16.6
67.01906	1.9
68.99821	3.4
69.03461	5.7
71.01387	18.6
71.01755	1.3
72.99318	8.4
73.02966	2.4
80.85542	0.6
83.01396	5.9
84.02209	1.4
85.02961	38.6
87.00887	11.7
87.04522	3.5
89.02452	7.5
91.05532	0.8
97.02968	11.0
98.20638	1.7
99.00895	8.1
101.02462	4.3
111.00916	6.4
113.02467	3.1
115.04045	6.3
117.03474	1.2
119.05039	1.1
121.02966	11.8
123.04573	3.1
125.02476	0.9
129.01967	34.4
130.02353	1.0
131.03510	3.2
132.02258	1.2
134.25836	0.8
137.02501	0.7
141.01968	5.2
147.04573	6.0
149.02467	85.5
149.04547	3.5
150.02814	3.9
153.05614	5.3
159.03052	6.4
161.02483	1.0
163.09027	0.6
164.04823	60.7
165.05267	3.6
173.04645	0.8
176.01128	1.1
179.07162	5.9
190.02789	3.4
191.05618	24.1
192.05940	1.0
193.01440	0.8
193.05016	0.9
194.09407	0.8
205.05104	3.2
206.05711	0.8
208.03838	3.8
209.06679	100.0
210.07056	3.6
223.06125	82.5
224.06464	4.5
269.14685	0.7
291.08856	1.0
383.10004	1.0
415.12390	53.0
416.12753	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41516	0.4
53.02354	0.4
55.01894	0.6
57.03457	2.7
59.01379	4.2
61.98834	1.9
67.01901	1.4
68.99806	0.4
69.03477	0.4
69.99975	1.9
71.01384	4.3
72.98946	0.4
72.99321	1.6
73.02966	0.9
74.02463	0.9
83.01398	1.5
85.02959	10.8
87.00871	2.5
87.04598	0.5
88.98817	1.0
89.02464	0.8
89.04003	0.8
91.05539	1.1
93.03468	1.5
97.02963	0.9
98.19895	0.6
99.00909	1.4
101.02460	1.3
108.02187	8.8
109.02983	5.2
111.00888	1.3
113.02476	0.7
115.03999	0.5
117.03487	1.4
119.05045	1.7
121.02132	0.9
121.02972	14.0
122.03316	0.7
123.00906	0.6
123.04534	3.4
124.01685	0.5
125.09686	0.4
129.01967	5.3
132.02206	2.1
132.03067	0.4
135.04509	1.1
137.02473	1.2
141.01898	0.6
147.04547	7.2
149.02463	84.1
150.02818	2.8
150.06952	0.5
152.01170	9.8
153.01978	3.4
159.03073	1.1
161.04623	0.5
163.04031	1.1
164.04814	58.0
165.05191	3.2
167.03522	17.6
167.05701	0.5
168.03825	1.1
176.01212	0.5
179.07156	4.0
191.03577	1.3
191.05621	7.9
192.06021	0.5
208.03731	1.0
209.06674	25.3
210.06993	1.1
223.06123	100.0
224.06454	6.9
267.09799	0.5
380.18134	1.0
397.20834	0.6
415.12393	9.5
415.21185	1.1
416.12836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57406	0.2
51.51271	0.2
59.01382	100.0
60.01728	0.9
61.98832	0.3
70.78381	0.5
70.78714	0.3
72.29923	0.2
77.07117	0.3
98.51364	0.2
108.41122	0.2
134.63608	0.2
149.68883	0.2
348.30453	0.3
349.73679	0.3
413.31226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18419	0.2
54.68688	0.2
57.03445	0.5
59.01378	3.8
61.98833	3.4
64.14953	0.2
71.01386	9.0
71.71481	0.4
71.79342	0.2
72.01736	0.3
72.99313	0.4
75.00852	0.6
79.20934	0.2
85.02959	2.9
87.00878	0.6
88.04044	1.7
89.02453	1.6
91.01917	0.5
93.03466	8.7
94.03802	0.3
95.01411	0.3
98.46162	0.2
100.84238	0.2
101.02472	1.3
107.05028	0.2
108.02176	0.4
111.00874	0.3
113.02455	1.0
114.01936	0.5
115.00388	10.1
116.00751	0.2
118.03004	8.8
119.03445	1.2
120.04567	0.3
121.02985	0.7
123.04542	0.6
125.02472	0.5
129.01991	0.2
132.03047	1.0
133.02950	1.2
134.03783	0.8
135.04512	0.5
136.04060	100.0
137.02461	5.5
137.04395	4.3
138.02666	0.2
139.03986	0.3
142.39497	0.2
146.06119	1.9
147.03009	0.3
147.04453	0.2
149.02426	0.8
149.06085	0.4
151.04056	0.5
156.73863	0.3
161.02478	3.0
161.04582	0.5
164.04854	0.4
164.07172	5.5
165.02008	0.4
165.07498	0.4
175.02596	0.3
177.01859	0.6
179.03484	0.5
179.05666	0.5
179.07085	0.3
190.05080	0.7
190.06570	0.5
191.01994	0.5
193.05043	1.0
205.08743	0.7
208.04161	0.4
208.06158	10.2
209.06572	0.8
223.06068	0.6
234.04024	2.0
252.05125	11.1
253.05463	0.7
281.08835	0.3
298.09412	0.5
299.07773	0.5
370.07779	0.3
396.09415	1.2
414.10403	33.7
415.11047	5.5
415.20996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
58.00588	0.5
59.01381	7.8
61.98831	3.2
63.46882	0.3
71.01388	8.2
71.30678	0.6
72.99321	1.4
73.02958	1.8
73.03290	0.3
75.00909	0.4
83.01402	0.8
85.02967	6.1
87.00874	1.6
88.98776	0.4
89.02450	3.4
91.04029	0.5
93.03468	3.4
95.01405	1.0
97.02950	0.5
99.00917	0.6
101.02457	4.9
103.04021	0.5
105.03466	0.6
107.05063	0.3
108.02190	1.0
109.02985	0.9
110.35313	0.3
111.00883	0.3
113.02471	2.9
117.03523	0.7
119.03529	1.1
119.05042	0.7
119.26414	0.3
121.02951	1.6
123.04555	1.2
125.02469	0.8
129.01968	0.9
132.02194	1.5
133.02975	26.4
134.03427	1.3
135.03009	0.5
135.04547	8.8
136.01662	0.4
136.04878	0.4
137.02463	5.2
139.04037	0.5
145.02943	0.7
146.03760	12.2
147.04424	0.7
149.02487	3.9
151.04066	0.7
152.01186	1.0
153.01964	0.5
159.02986	0.3
161.02467	100.0
161.06021	4.4
162.02812	5.8
163.04068	0.8
164.03452	0.6
164.04817	11.1
165.05409	1.0
167.03534	1.4
177.01923	0.6
178.02762	0.5
179.03587	4.4
179.07153	22.5
180.07530	0.9
181.74036	0.3
191.02011	0.7
191.03648	0.5
191.05621	0.6
198.49121	0.3
202.81367	0.3
203.03442	0.3
209.02968	1.7
209.04823	0.5
209.06717	1.2
223.06134	5.2
235.06134	0.5
239.05539	1.5
253.09273	0.4
262.86182	0.3
299.07715	0.7
341.08719	0.9
415.12466	64.3
416.12778	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	413.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.01242	0.2
57.03450	0.8
58.00569	0.3
59.01383	100.0
60.01724	1.1
61.98835	4.4
65.83316	0.2
66.97596	0.2
68.31278	0.2
68.50699	0.2
69.50914	0.3
69.51309	2.0
71.01391	5.5
72.99321	0.5
73.02956	2.1
73.18752	0.2
74.02483	2.0
75.00884	0.5
76.23196	0.2
83.01409	0.7
83.05070	0.3
85.02967	1.6
87.00896	0.3
87.02749	0.3
89.02460	4.0
93.03507	0.6
95.01413	0.4
96.96031	0.2
97.04107	0.7
99.00922	0.4
99.04571	0.6
99.05679	0.5
101.02459	3.5
101.03084	0.3
107.05037	2.1
107.88013	0.2
111.00883	0.3
113.02473	2.2
119.03581	1.4
119.05070	1.2
123.04557	0.3
124.85740	0.2
125.02503	0.4
125.03580	0.4
126.04415	0.2
131.03534	0.3
133.03008	0.4
135.04568	0.5
137.02507	0.5
142.06636	1.3
143.03581	0.3
143.04610	0.6
145.02948	0.4
147.04510	0.5
151.11446	0.2
158.06052	0.3
161.02495	1.3
161.04639	0.6
163.04112	0.4
163.24265	0.2
165.05594	0.5
179.03497	0.5
179.05692	0.6
180.82782	0.2
186.05701	0.8
193.09822	0.3
199.66650	0.2
209.42690	0.2
226.14529	0.5
231.03171	0.2
325.12253	3.5
325.15604	0.3
326.12833	0.4
369.11288	0.4
413.14755	0.5
413.22095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03448	1.1
58.00585	0.3
59.01380	100.0
60.01725	1.1
61.98833	3.7
71.01385	5.6
72.99322	0.3
73.02947	2.0
74.02486	2.1
77.12601	0.2
83.01405	0.8
85.02956	1.5
87.00903	0.4
89.02453	3.6
93.03479	0.4
95.01405	0.5
97.04105	0.9
98.20679	0.3
99.00933	0.3
99.04556	0.8
99.05653	0.4
101.02462	3.4
107.05050	1.9
113.02456	2.0
119.03545	1.0
119.05016	1.2
121.02942	0.3
123.04567	0.3
125.02490	0.8
125.03562	0.4
128.07239	0.2
133.02997	0.5
134.03665	0.2
135.04585	0.6
142.06671	1.1
143.03583	0.5
143.04666	0.3
145.02965	0.4
149.02467	0.2
153.02014	0.3
161.02466	1.5
161.04623	0.6
162.02716	0.2
163.04041	0.5
165.05489	0.4
179.03653	0.4
179.05605	0.5
186.05701	0.7
193.09818	0.4
217.07224	0.2
221.04721	0.2
226.14438	0.3
232.46384	0.2
234.05959	0.2
291.13614	0.3
325.12268	3.2
326.12924	0.4
337.07480	0.2
344.81134	0.2
370.85144	0.3
413.14420	0.6
413.22284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03461	0.5
59.01382	8.3
60.01733	0.3
70.74175	0.9
71.01390	4.5
72.99331	0.5
73.02965	1.4
75.00882	0.7
83.01392	0.7
83.52910	0.2
85.02968	2.5
86.36553	0.2
89.02459	2.0
89.03973	0.3
95.01379	0.6
99.00909	0.6
101.02462	3.9
105.03482	0.4
113.02483	2.5
117.03491	1.3
119.03552	0.6
119.05036	1.0
132.02159	1.0
133.02975	27.9
134.03224	1.2
135.04546	6.2
137.02486	0.6
145.02965	1.4
147.04541	6.6
148.04764	0.2
153.76068	0.3
161.02466	100.0
162.02808	6.1
163.03970	0.3
165.05597	7.3
166.05939	0.5
179.03508	2.8
189.05589	0.6
203.07201	0.3
207.06635	4.0
221.08163	0.3
233.11986	0.2
249.07629	0.9
250.08270	0.3
279.08578	0.4
413.14545	64.4
414.14890	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03458	1.3
59.01382	13.6
61.98822	1.8
71.01389	10.1
71.71668	0.9
72.99310	1.4
73.02959	3.1
75.00875	0.7
80.94399	0.5
83.01395	1.4
85.02959	4.8
87.00875	1.0
89.02470	2.8
93.03463	1.6
95.01421	1.0
97.02930	0.5
99.00892	2.1
101.02461	7.9
105.03494	0.7
113.02460	4.5
117.03485	1.1
118.49479	0.5
119.03583	1.2
119.05043	32.7
120.05344	1.5
121.61787	0.4
132.02187	14.9
133.02997	9.1
134.03769	12.6
135.03012	0.6
135.04559	0.9
137.02451	5.5
139.04065	0.6
147.04536	1.3
149.06085	2.0
151.04054	0.5
153.01942	0.8
159.03175	0.6
160.01680	81.3
161.02461	13.8
161.04607	1.6
162.02776	0.7
165.05553	1.2
175.04022	100.0
176.04379	6.7
177.01907	0.7
178.02773	1.5
179.03557	1.5
191.07133	0.5
193.05075	15.9
194.05499	0.8
207.06648	0.9
235.05962	0.6
236.64583	0.5
237.09895	0.8
251.09412	0.9
281.10217	0.7
398.12158	1.2
408.99902	0.7
413.14542	88.6
414.14813	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	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.8
64.24889	0.4
64.50533	0.5
66.83882	0.3
69.03455	1.7
71.01391	6.0
71.04343	0.4
71.09855	1.1
72.99317	7.6
73.02949	2.8
80.23519	0.4
80.47164	0.4
81.03483	0.5
83.01387	4.5
85.02955	1.4
87.00880	0.5
89.02463	1.6
95.01402	4.1
97.02966	0.9
99.14176	0.5
101.02448	3.9
101.03994	0.5
103.00386	5.9
103.05563	0.5
107.72527	0.4
109.02998	0.5
111.04546	0.5
113.02457	7.5
119.03584	0.6
119.05038	10.8
125.02493	2.1
127.00362	1.0
127.05556	3.3
131.03467	0.4
139.00362	2.9
140.10727	0.4
143.03520	1.6
145.06615	1.1
147.04543	48.9
148.04900	2.3
149.04561	0.7
155.03532	0.5
157.01443	0.5
161.02516	0.5
161.04590	2.7
165.05588	100.0
166.05934	5.9
185.04454	0.4
189.05588	25.5
190.05910	1.8
207.06686	1.0
229.03487	0.5
247.04617	1.7
275.05585	2.9
305.06668	0.5
413.10516	0.8
414.10962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12103	0.4
59.01382	35.3
59.89001	0.4
60.01714	0.5
61.98832	6.1
71.01380	1.7
71.42657	0.6
72.99322	0.9
73.02946	0.6
83.01392	0.8
85.02967	1.1
85.77400	0.3
85.85747	0.4
86.09994	0.4
87.00883	0.7
89.02457	1.0
93.48360	0.3
95.01398	0.6
99.04510	0.4
101.02451	1.5
103.00409	0.4
104.02697	3.7
109.02948	0.4
113.02481	1.4
119.03571	0.5
119.05042	1.1
125.02441	0.6
133.02992	2.0
135.04544	3.1
137.02502	0.8
145.02989	0.4
147.04539	3.1
148.01677	7.3
149.02382	0.6
161.02464	4.2
161.04582	0.5
162.02744	0.4
165.05589	6.1
175.04019	0.5
176.01167	68.5
177.01526	3.9
177.05579	1.2
179.03540	2.7
189.02135	0.4
189.05574	1.3
191.03519	100.0
192.03839	5.9
221.04578	1.5
221.08188	0.4
222.91362	0.4
251.05667	1.9
281.06696	1.9
323.07712	0.5
327.70151	0.4
341.08862	0.8
413.10754	1.2
413.15131	0.7
413.19788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03968	0.9
59.01380	8.3
59.98747	1.0
60.99307	15.0
63.00737	0.9
64.60361	0.9
65.02448	1.4
68.99467	1.0
71.01395	4.5
71.34064	1.9
72.91539	0.9
72.99316	73.8
73.99682	1.1
75.00874	8.8
76.98803	1.0
80.87778	0.9
81.76154	0.9
83.01434	1.0
85.02936	1.2
87.00906	2.3
89.02451	20.2
90.88226	1.2
97.67145	0.9
99.00902	2.2
100.21286	1.1
101.02464	1.4
103.00381	1.8
105.01981	2.1
112.98819	1.0
113.02422	1.7
115.00397	7.3
117.01942	2.4
129.05609	1.3
133.01450	100.0
134.01782	1.7
135.04616	1.3
142.99919	1.4
145.01459	13.5
147.06628	1.1
148.64999	1.0
149.06104	1.3
158.08272	1.6
161.04533	1.0
179.05589	2.2
207.06609	1.3
221.01033	2.0
221.03043	23.3
222.03423	1.1
328.12753	1.7
413.10776	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	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81809	0.4
54.39518	0.5
57.13886	0.4
58.35947	0.4
59.01382	9.0
60.09057	0.4
69.03456	1.1
71.01388	4.5
71.20725	0.8
71.21061	0.5
72.99313	10.0
73.02943	2.3
81.03466	0.9
83.01395	4.6
85.02953	1.5
89.02452	1.3
95.01382	3.0
96.20403	0.4
97.02958	0.9
99.85902	0.4
101.02454	3.6
101.04000	0.8
103.00382	6.2
103.05595	0.5
113.02470	6.0
119.03502	0.7
119.05037	10.4
125.02489	2.1
127.00398	1.3
127.05560	3.1
139.00414	1.6
143.03528	1.3
145.06609	1.5
147.04543	50.1
148.04897	1.9
161.04614	2.3
165.05591	100.0
166.05922	4.0
187.02414	0.5
189.05588	26.5
190.05923	1.4
203.05641	0.7
207.06667	0.6
218.09763	0.4
221.06699	0.6
229.03745	0.6
247.04625	2.8
275.05646	2.5
353.09009	0.7
388.90326	0.5
413.11066	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	412.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01380	7.4
61.98831	100.0
65.97256	0.2
71.01387	1.8
71.72034	0.3
72.99295	0.3
73.02944	0.2
74.02475	0.6
83.01389	0.2
83.05051	0.2
85.02969	0.6
87.00882	0.3
89.02442	1.4
91.36468	0.2
93.03472	0.4
96.69566	0.2
99.04560	0.3
101.02451	1.0
104.07787	0.2
111.00877	0.8
112.01251	0.3
113.02497	0.7
115.05116	0.3
119.03503	0.3
119.05038	0.3
123.02650	0.2
123.04581	0.3
130.08774	0.6
133.03000	0.2
135.04561	0.6
147.04536	0.3
151.11319	0.3
161.02486	1.2
165.05525	0.5
170.50665	0.2
179.03659	0.4
179.05603	0.4
193.35939	0.3
195.10332	0.5
206.93918	0.2
213.11414	0.3
221.04614	0.3
242.90582	0.2
246.48161	0.2
271.08533	0.2
325.12442	0.8
375.16418	0.4
413.23532	1.0
417.25580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77973	0.7
59.01381	8.5
60.99311	12.7
65.02432	0.8
68.52570	0.7
71.01394	4.7
71.70309	1.1
72.99314	70.5
73.02956	3.3
73.99670	0.9
75.00884	9.1
75.87245	0.8
76.98804	1.8
83.01366	1.0
85.02922	1.1
87.00887	2.7
89.02457	20.0
90.02813	0.9
99.00901	1.4
101.02472	1.7
103.00385	1.0
105.01931	3.2
113.02470	0.9
115.00387	7.8
117.01974	2.3
119.03530	1.4
126.06823	1.0
126.77046	0.7
129.02019	0.8
133.01457	100.0
134.01822	2.6
135.04573	1.6
136.04070	5.0
137.02505	0.8
142.99828	1.1
145.01460	13.6
161.02452	1.4
179.03534	1.0
179.05556	1.0
221.03046	23.4
221.06369	1.0
240.61995	0.8
267.47125	0.8
328.12616	1.3
413.11273	1.0
439.86957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79530	0.2
53.22398	0.2
56.74200	0.2
58.02998	0.3
59.01384	3.4
61.98834	100.0
71.01386	1.5
72.00928	0.2
72.99314	1.0
73.02977	0.5
83.01411	0.4
85.02943	0.5
87.00892	0.3
89.02441	1.1
93.03515	0.3
95.01408	0.3
95.23557	0.2
96.00932	0.4
98.19839	0.5
101.02465	1.1
101.59801	0.2
103.00403	0.7
108.04574	9.5
109.04924	0.5
113.02447	0.9
115.04037	2.0
119.03553	0.6
119.05029	0.9
126.05665	0.2
127.05561	0.3
133.03009	0.7
135.04565	0.6
138.05653	0.3
143.03519	0.2
144.91766	0.2
145.06627	0.3
147.04555	4.6
148.01476	0.2
152.03564	17.9
153.03937	0.7
160.01677	0.2
161.02495	3.4
161.04680	0.3
161.06139	0.2
164.07188	2.2
165.05594	8.4
166.05093	1.0
175.02548	0.2
179.03586	0.4
179.05624	0.2
188.07201	4.0
189.05618	2.1
189.07426	0.4
190.05188	0.7
194.04703	0.7
206.08180	1.6
220.90407	0.2
221.04639	0.2
229.26553	0.2
247.04764	0.4
248.41965	0.2
260.09195	0.3
274.07156	1.1
275.05560	0.3
281.06671	0.2
303.44611	0.2
304.08270	0.4
328.91440	0.2
412.12360	1.0
413.10321	0.3
413.14966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1272
Annotation	t(6)a
Peak:m/z	Relative Intensity
58.04814	0.3
59.01386	2.8
59.01653	0.6
61.98835	4.1
67.60543	0.3
71.01381	1.7
71.71636	0.5
72.00916	28.9
73.02962	0.7
74.02476	16.3
85.02969	0.6
87.00877	0.4
89.02464	0.9
98.99681	0.4
99.00884	0.5
100.00421	41.6
100.04060	2.8
101.00763	0.7
101.02462	1.1
101.26263	0.3
111.04572	0.4
113.02466	0.8
118.05123	100.0
119.05482	2.4
122.02505	3.7
134.04767	1.4
134.45699	0.4
135.04588	0.4
136.04065	0.5
144.03049	40.3
145.03392	1.3
159.70645	0.3
160.02672	4.4
161.04561	0.9
165.27237	0.4
181.13046	0.3
189.11339	0.4
195.88620	0.3
205.05135	0.4
208.07495	0.4
217.95752	0.3
279.14725	0.5
279.45743	0.4
411.13181	1.2
411.18860	1.4
411.25394	2.2
435.37622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01719	1.3
61.98849	0.6
71.05385	0.9
71.05746	0.4
86.40038	0.3
117.76788	0.3
135.85918	0.3
150.62064	0.3
179.24498	0.3
183.52565	0.3
233.00230	0.3
316.74115	0.3
366.54794	0.3
411.25198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02997	0.3
59.01376	2.8
59.42682	0.3
61.98832	100.0
66.88206	0.3
67.89091	0.3
69.70063	1.1
69.70496	0.9
71.01385	1.2
72.99319	1.0
73.02954	0.4
80.34142	0.3
83.01421	0.8
85.02972	0.5
87.00895	0.2
89.02459	0.6
95.01424	0.7
99.91090	0.2
101.02473	0.9
103.00392	0.6
108.15591	0.2
109.02955	0.4
113.02483	1.7
119.05025	1.3
123.44584	0.2
127.05601	0.3
133.02995	1.0
135.04527	0.3
138.37144	0.2
139.00372	0.4
147.04546	5.9
153.02014	0.4
161.02446	3.2
161.03488	0.2
161.04584	0.4
164.07214	1.6
165.05591	11.3
167.82391	0.3
171.25677	0.3
179.03540	1.0
188.07179	2.2
189.05600	2.6
189.07390	0.4
190.05205	0.7
206.08185	1.2
221.04623	0.3
224.68475	0.3
247.04713	0.8
257.14551	0.2
274.07065	1.2
281.06442	0.4
304.08386	0.6
336.89313	0.3
412.12488	0.4
412.17639	0.4
413.11041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03451	15.7
57.09169	1.3
59.01379	22.0
60.27020	1.5
60.99306	3.8
61.98838	2.1
66.10915	1.3
67.01895	4.0
68.99528	2.5
68.99837	5.5
70.36786	4.5
71.01386	75.1
72.99334	7.1
73.02947	12.5
75.00884	5.8
83.01397	21.1
84.99303	1.3
85.02959	19.9
86.03258	1.5
87.00870	7.9
88.98846	5.3
89.02449	4.1
96.99344	1.7
99.00891	55.7
101.02447	10.6
103.00392	1.8
111.00892	41.4
112.98826	100.0
113.02467	2.6
115.00390	16.7
116.92902	1.5
117.01942	2.3
124.98868	3.1
127.00433	2.7
128.03607	1.5
128.07172	12.6
129.01964	38.7
129.07524	2.6
130.02342	1.5
130.08755	78.7
131.03593	1.5
131.09129	1.5
142.99879	27.6
145.01447	24.4
159.02979	1.3
160.32887	1.4
161.04596	2.7
163.06163	3.7
173.00928	57.3
174.01300	2.9
175.02498	9.2
205.03557	6.2
237.09755	4.4
281.12460	4.3
411.09552	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28448	4.4
53.68779	6.7
53.84016	4.8
57.03445	10.8
58.00587	8.2
59.01384	94.8
61.98830	90.7
68.99827	8.9
69.67947	10.9
69.68362	36.2
71.01391	100.0
72.99311	20.8
73.02948	22.1
73.03355	5.0
75.00857	8.2
83.01393	18.6
83.16949	6.1
85.02968	35.1
87.00885	10.1
88.98800	5.6
89.02467	52.3
92.11515	5.5
96.66801	5.1
97.41116	5.6
99.00905	27.9
101.02476	38.7
111.00902	27.7
112.98831	60.4
113.02457	27.1
115.00365	16.0
115.04034	7.7
117.01954	16.2
119.03538	30.6
121.31086	6.3
129.01990	16.8
130.08759	44.9
133.05086	6.4
142.99886	19.9
143.03459	11.3
145.01431	16.1
145.02951	19.6
158.08331	14.0
161.02469	16.5
161.04549	24.7
162.03271	16.1
163.06204	8.2
173.00940	35.5
177.05547	12.4
179.05627	50.8
195.06598	8.8
205.03459	16.4
221.41216	5.8
351.12885	31.8
357.12012	24.3
375.12967	16.0
411.10773	41.3
411.25699	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04134	1.0
55.01864	1.0
55.96340	0.8
57.03461	5.7
58.00573	1.6
58.88749	0.9
59.01383	61.7
60.22561	0.9
61.98816	2.2
69.03518	0.9
71.01386	24.4
71.09994	2.0
71.10349	1.0
72.99313	4.7
73.02953	1.3
73.92177	0.8
75.00497	1.3
75.00875	14.0
83.01377	1.2
85.02956	19.2
87.00876	5.9
89.02457	17.6
93.03441	1.9
95.01414	5.2
99.00890	8.4
101.02446	7.6
103.00361	1.3
111.00819	1.5
113.01711	1.2
113.02467	22.6
113.09742	18.9
115.00397	2.0
117.01925	2.2
119.03479	3.6
129.01906	1.3
137.02429	3.0
143.03496	1.1
157.01387	0.8
157.08569	1.4
159.10289	80.7
160.10614	3.7
161.04604	1.9
165.01938	2.1
173.88371	0.9
175.02434	2.5
179.03497	0.9
179.05661	6.3
195.06660	1.5
205.07094	1.3
223.08211	1.2
225.07571	1.6
231.05070	1.3
249.04076	1.2
249.06168	13.1
250.06331	1.0
263.64053	1.1
267.07120	2.4
308.03302	0.9
360.45428	1.0
391.16101	3.2
409.17017	100.0
410.17999	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	409.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26517	6.0
59.01376	100.0
61.98828	51.1
62.57711	7.3
65.29553	7.4
69.74524	53.5
71.01379	26.4
73.02945	8.4
77.65159	7.7
89.02456	27.1
89.33939	6.3
101.02438	14.7
113.02455	7.7
119.03562	9.0
187.07697	10.0
187.13353	13.7
200.24265	6.8
231.10378	8.7
349.13065	8.8
349.18436	9.3
409.19534	22.3
410.21024	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03455	2.3
58.00601	1.1
59.01382	100.0
60.01708	1.5
61.98836	3.7
63.79520	0.5
69.03472	0.7
70.01808	0.5
71.01389	33.9
71.05016	4.5
71.71152	0.9
72.01740	0.6
72.99324	2.3
73.02964	4.0
75.00879	4.7
83.01393	2.2
85.02959	12.1
87.00890	3.2
87.04525	0.8
89.02455	32.7
90.16601	0.6
93.81157	0.5
95.01391	3.0
99.00904	3.6
99.04535	1.5
99.08155	0.8
99.65390	0.6
101.02462	20.8
102.02798	0.8
111.00957	0.7
113.02470	19.4
113.09750	5.2
115.00410	0.7
115.03969	0.7
117.01960	0.7
117.05593	0.8
119.03526	11.7
125.02462	0.8
129.01930	0.9
129.58858	0.6
131.03500	1.9
131.14136	0.5
141.09256	0.8
143.03531	4.2
147.06656	11.8
149.04526	1.2
154.20917	0.6
159.03029	1.1
159.10284	15.9
160.10568	0.7
161.04602	10.0
161.06909	0.8
161.08203	10.7
165.01874	0.6
171.04498	0.9
175.02417	0.6
177.79346	0.5
179.05646	10.9
187.13426	4.3
193.07164	0.8
195.06676	0.9
225.07529	1.1
249.06064	1.7
267.07004	1.4
348.10706	0.5
349.18689	43.6
350.18924	4.7
409.11307	3.2
409.16797	23.2
410.17169	2.5
427.34195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54621	0.5
55.01881	1.1
57.03444	2.8
58.00600	0.6
59.01383	29.6
61.98813	3.2
64.09008	0.5
67.01911	0.6
68.99818	1.0
69.03461	0.9
69.70030	3.9
71.01390	17.4
72.01722	0.5
72.99310	4.3
73.02968	2.1
75.00882	14.3
83.01410	1.4
83.92719	0.6
85.02963	16.2
87.00890	5.1
89.02454	8.8
93.03503	0.5
95.01403	4.3
99.00893	9.6
99.08181	7.0
101.02439	4.6
103.00401	1.4
111.00922	0.9
113.02468	22.1
113.09746	6.7
115.00383	1.4
117.01976	2.1
119.03529	2.1
123.08196	0.7
129.01971	1.8
131.03506	0.7
141.09256	0.9
143.03517	0.7
157.08800	0.8
159.10289	88.7
160.10649	3.4
161.04578	2.7
175.02493	2.4
175.03925	0.7
179.05630	2.0
205.07228	0.7
210.59142	0.5
231.05096	1.3
249.06145	14.6
250.06615	0.7
267.07196	2.0
285.51099	0.7
349.14661	0.7
349.18616	7.4
350.18912	1.2
391.16055	2.7
409.17126	100.0
410.17499	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70070	0.3
57.03445	0.3
59.01383	12.2
61.98832	9.7
61.99146	0.6
66.52111	0.4
67.67627	0.3
69.03468	0.3
70.07841	1.9
71.01383	2.9
71.05038	0.7
73.02960	0.8
75.00890	0.8
76.70545	0.4
83.01422	0.6
83.05097	0.3
85.02976	1.1
87.00927	1.0
89.02477	1.4
93.03454	2.1
95.01408	0.5
95.78725	0.3
99.00895	0.7
99.04538	0.8
101.02446	2.1
109.02954	0.4
113.02477	1.8
119.03517	0.6
121.02979	2.9
122.03780	7.5
123.04539	0.7
125.02422	0.7
129.05577	0.4
133.02977	0.9
134.03708	0.5
135.04555	0.6
136.01707	1.1
137.02470	0.8
139.04036	0.3
147.06670	4.0
149.02467	12.9
150.03250	66.0
151.03574	3.4
161.04567	1.2
161.08200	1.8
164.04832	3.3
165.05594	100.0
166.05939	5.8
166.58710	0.4
179.05693	0.7
180.04333	4.2
187.09811	0.5
195.06648	38.6
196.07043	2.3
213.07681	1.2
257.07953	0.4
285.07611	0.5
286.08563	1.2
301.10745	2.5
349.14911	0.7
349.18677	2.0
361.12939	6.6
362.13242	0.7
389.44254	0.4
409.15692	2.0
409.20578	1.6
413.29407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14711	0.5
52.79548	0.4
57.03435	0.7
59.01085	1.0
59.01378	17.7
60.01692	0.5
61.98832	5.9
63.76672	0.5
70.82903	1.0
70.83270	1.0
71.01396	5.5
71.05044	1.0
72.99309	1.1
73.02944	1.8
75.00882	0.8
83.01399	1.1
85.02951	2.3
87.00876	1.3
89.02457	4.6
93.03474	1.9
95.01416	0.6
95.05084	0.5
96.96027	2.4
97.74562	0.5
99.00901	4.1
99.04585	0.6
101.02454	3.1
101.06116	2.7
103.76483	0.5
108.02183	0.6
110.79098	0.5
111.00921	0.6
112.72779	0.5
113.02458	3.4
116.41016	0.4
119.03498	1.8
121.02982	4.6
122.03779	7.1
123.04550	0.9
124.01623	0.5
125.02468	0.6
129.05640	0.9
131.03526	0.6
133.03003	0.8
135.04538	0.7
136.01675	2.1
137.02440	1.0
137.62431	0.5
139.00439	0.5
139.04050	0.9
143.03493	0.5
145.08638	0.5
147.06648	15.1
148.07028	0.9
149.02464	35.7
149.04518	1.7
150.03249	60.0
151.03941	3.4
153.05591	0.7
159.43198	0.4
161.04590	2.0
161.08209	2.2
163.00720	0.5
164.04802	9.2
165.05589	100.0
166.05945	4.2
175.79340	0.5
179.05603	0.7
180.04317	2.3
187.06096	0.7
187.09732	0.6
191.05713	1.0
195.06639	20.7
196.07007	1.1
211.06110	0.5
213.07672	7.3
228.93050	0.5
231.56920	0.5
242.05792	1.0
253.04768	0.8
257.08368	0.8
271.09573	0.6
275.07953	0.6
285.07831	4.0
286.08484	6.4
287.08951	0.9
301.10825	12.3
302.11108	1.1
330.02530	0.5
331.14197	1.5
346.10641	0.7
349.15079	1.5
349.18930	1.1
361.12921	39.2
362.13248	4.5
409.14752	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	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
58.00594	2.1
59.01380	70.6
60.01722	1.2
61.98836	12.5
68.23927	0.8
70.04502	4.0
70.04919	1.9
71.01385	45.4
71.05024	4.4
72.01756	1.3
72.99328	3.2
73.02951	28.2
75.00899	1.8
83.01396	2.0
83.05054	1.0
85.02963	14.2
87.00897	2.7
89.02454	51.4
93.03476	1.4
95.01387	4.4
98.19958	1.4
99.00894	100.0
99.04533	2.0
100.01211	1.6
101.02459	16.9
101.03075	1.2
101.06099	17.3
109.03003	1.2
110.20911	0.9
111.04584	1.3
112.01737	0.8
113.02460	37.7
114.02790	1.3
119.03516	7.7
121.02949	2.0
122.03744	8.1
123.04527	1.1
125.02448	1.4
129.05609	1.6
131.03528	13.4
136.01688	1.3
137.02435	1.9
138.47531	0.9
143.03528	3.5
147.06651	96.8
148.07004	3.1
149.02563	13.6
149.04565	54.8
150.03249	61.0
151.03754	2.7
152.18240	1.0
161.04575	20.8
161.08238	4.4
164.04799	3.2
165.05594	85.5
166.05971	5.4
167.03552	1.3
171.06653	5.2
179.05644	3.4
180.04268	3.3
187.09781	1.6
191.05641	41.5
192.05942	1.5
193.07191	1.3
195.06647	32.9
196.07028	2.1
211.05978	1.3
213.07727	3.4
233.06651	10.8
234.85797	1.0
259.10010	1.0
286.08505	2.0
293.08810	3.0
301.10883	2.0
349.14990	0.9
349.18884	1.3
361.12985	3.7
409.17404	15.1
410.17651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01085	0.9
59.01380	15.9
60.44146	0.4
61.98829	6.6
69.84254	3.2
70.78493	0.4
71.01380	5.1
71.05022	0.7
72.99318	1.2
73.02977	2.4
75.00879	0.9
75.12339	0.4
83.01394	0.8
85.02954	1.7
87.00890	0.7
88.98788	0.5
89.02451	5.2
92.96015	0.4
93.03486	2.2
95.01403	1.3
95.05021	0.6
95.95229	0.6
96.96017	1.2
98.19904	0.5
99.00894	5.2
101.02454	2.9
101.06095	5.5
108.02175	0.5
113.02460	2.9
118.55626	0.5
119.03519	1.1
121.02978	4.9
122.03770	6.5
123.04538	0.5
129.05589	0.9
131.03537	1.1
133.03027	0.5
135.04579	0.6
136.01663	2.4
137.02464	1.6
139.04062	0.8
145.02826	0.5
147.06648	24.1
148.07036	1.0
149.02458	37.9
149.04536	3.2
150.03242	57.9
151.03760	3.3
161.04553	1.6
161.08194	1.8
164.04813	9.1
165.05583	100.0
166.05908	4.6
171.06635	1.5
179.05646	0.7
180.04309	3.5
187.09787	1.3
187.82982	0.4
191.05621	2.2
193.07388	0.5
195.06641	22.1
196.06958	1.1
200.01129	0.5
213.07706	2.4
215.24619	0.5
233.06718	0.7
253.05048	0.5
257.08194	1.0
264.09528	0.5
271.09772	0.5
285.07739	4.0
286.08426	6.7
287.08612	0.5
301.10818	11.6
302.11087	1.6
349.14975	1.4
349.18872	0.9
361.12915	38.9
362.13245	5.0
365.08270	0.5
402.61380	0.5
409.14905	4.5
426.58871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56565	0.2
57.03456	0.3
59.01379	8.5
60.01710	0.3
61.98832	100.0
69.03444	0.3
71.01383	2.3
71.71212	0.2
71.71660	0.3
72.99314	0.4
73.02965	0.7
75.00906	0.2
83.01405	0.4
83.05069	0.2
85.02962	1.2
87.00896	0.7
89.02453	1.4
93.03490	0.3
95.01405	0.3
99.00877	0.5
99.44650	0.2
100.72269	0.2
101.02436	1.5
113.02474	1.2
114.05593	0.2
116.05047	0.4
119.03549	0.3
119.05010	0.2
121.03025	0.3
122.03780	0.4
125.02451	0.3
134.03735	0.2
136.01721	0.3
143.03522	0.3
147.06641	1.5
149.02385	1.2
150.03249	3.5
151.03996	0.6
151.77893	0.2
152.04315	0.3
153.01978	0.4
158.06000	0.3
161.04605	0.8
161.08252	0.9
163.04004	0.2
164.04865	0.2
165.05589	5.4
179.05679	0.4
180.04373	0.3
187.09772	0.4
195.06685	1.7
244.99031	0.2
245.49673	0.2
290.75037	0.2
348.17410	0.4
349.14926	0.4
349.18869	0.7
361.13028	0.5
408.08603	0.3
408.15509	0.9
408.22531	0.8
409.21295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73746	0.4
59.01383	2.1
61.98833	100.0
71.71230	0.7
81.63396	0.5
96.96055	0.6
119.65904	0.4
140.53955	0.5
179.07359	0.5
185.50784	0.5
197.49744	0.5
238.14523	0.5
409.31152	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	408.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36530	0.2
59.01376	4.6
61.98830	100.0
62.98540	0.2
70.85850	0.2
71.01393	0.8
72.99321	0.5
74.78862	0.2
82.44591	0.2
83.01407	0.3
85.02941	0.3
89.02484	0.3
101.02451	0.4
111.00904	0.8
113.02529	0.3
120.01283	0.9
123.04530	0.3
126.85870	0.2
133.02975	0.3
134.03751	0.4
135.03004	0.2
138.12892	0.4
139.07640	0.3
147.04547	0.6
161.02443	1.0
165.05617	0.6
179.03575	0.2
193.05077	0.3
239.42227	0.2
247.09741	0.3
258.05078	0.2
260.09714	0.4
274.21219	0.2
349.22336	0.3
366.15787	0.5
408.17163	0.3
409.14804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
56.10537	0.5
57.03450	1.1
58.00585	0.7
59.01381	25.5
61.98838	7.0
71.01385	14.8
71.05000	1.1
71.71594	0.7
72.99308	1.8
73.02956	6.8
75.00874	0.7
80.58537	0.5
83.01408	1.5
85.02951	4.9
87.00895	1.7
89.02454	19.0
93.03462	1.5
95.01386	1.8
99.00894	26.1
99.04556	1.0
101.02458	7.7
101.06072	1.9
113.02465	11.2
119.03506	2.3
121.02956	2.4
122.03769	7.6
123.04525	0.8
125.02522	1.1
131.03516	5.2
133.03014	0.7
134.03685	0.7
136.01675	2.0
137.02432	0.8
143.03552	0.6
147.06647	13.0
149.02487	13.0
149.04550	14.8
150.03246	62.3
151.03568	3.6
161.04564	6.6
161.08214	1.5
164.04758	2.6
165.05585	100.0
166.05913	5.8
179.05617	1.2
180.04277	3.9
187.09760	1.3
191.05629	11.9
192.67676	0.5
195.06639	37.9
196.07002	2.3
201.05621	0.5
208.43199	0.6
213.07687	5.4
214.08266	0.6
221.06883	0.6
233.06664	2.5
238.26418	0.6
239.14821	0.6
277.12704	0.6
282.42816	0.7
286.08350	1.5
293.08832	1.0
301.10895	1.8
349.14789	1.0
349.18689	1.0
361.12875	4.2
409.17148	4.7
409.21146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67633	1.9
59.01382	100.0
60.01694	2.1
61.10194	1.9
61.98820	2.7
70.75794	1.9
71.01378	9.4
71.71767	2.9
71.72140	3.9
72.99315	9.3
73.02950	3.8
75.00875	10.1
85.02953	5.9
89.02442	7.8
95.01403	2.0
97.32386	2.3
99.00907	5.0
101.02469	5.1
103.00396	7.0
111.00898	6.2
112.98801	5.7
113.02468	5.4
116.92815	2.6
119.03497	3.2
119.05041	7.9
127.87319	1.9
131.39685	1.8
135.03027	35.9
142.06660	34.0
147.04532	37.9
150.03157	3.5
158.06119	3.2
165.05588	84.6
166.05922	6.3
171.10301	15.9
173.00938	4.4
183.13959	3.6
185.11876	31.8
186.05656	17.5
186.07095	3.2
189.05554	6.8
195.06726	2.4
197.00853	2.3
204.06686	22.8
209.11877	5.7
215.01961	6.5
227.12910	8.0
246.07767	11.6
247.26036	1.9
250.89227	2.1
260.30969	2.2
291.20218	2.1
305.11404	2.5
347.16617	2.9
407.06223	4.4
407.13950	3.4
407.18973	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	407.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55978	5.3
55.43351	4.5
59.01378	100.0
61.98837	83.4
69.53665	5.5
70.28633	22.3
70.29059	9.4
71.01382	24.0
72.99301	9.8
73.02974	7.2
76.09857	6.1
79.95715	7.0
85.02974	8.6
86.91053	5.4
87.00896	6.2
96.40610	6.7
96.96027	16.3
99.00914	11.3
101.02460	8.9
108.02195	5.4
113.02475	11.0
120.01244	12.2
120.99653	9.5
121.48075	4.9
123.04544	14.3
131.17641	5.8
139.07671	8.3
147.04558	9.1
164.07210	9.4
165.05556	13.4
171.77881	5.3
197.16611	6.0
206.05869	7.2
231.73477	5.9
246.75230	5.2
260.09760	9.3
287.12714	6.5
310.06952	5.6
347.20819	8.5
389.16052	9.0
407.18088	52.6
407.24597	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	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03445	3.0
58.00595	0.6
59.01089	1.0
59.01381	17.5
60.01701	0.5
61.98819	1.3
65.90159	0.4
67.05513	0.6
68.99815	1.0
69.03468	0.8
69.63434	1.1
69.63847	2.4
71.01389	12.8
72.99313	3.8
73.02950	1.0
75.00879	14.5
83.01386	0.7
85.02962	16.4
86.03335	0.7
87.00890	5.5
89.02448	4.6
91.04025	0.9
93.03431	0.6
95.01396	4.6
99.00903	7.4
103.00388	1.5
103.74304	0.5
111.00874	0.8
111.08230	0.4
113.02460	18.4
113.06108	4.2
115.00364	1.8
117.02015	2.1
129.01961	1.5
136.01674	1.0
139.07686	2.6
149.02440	0.6
150.03212	0.6
151.04022	2.0
157.01434	0.7
157.08723	44.8
158.09059	1.3
160.53311	0.5
163.72887	0.6
165.05637	0.6
175.02428	2.4
189.04047	0.8
205.07080	0.5
231.05089	1.7
240.03522	0.6
249.06152	20.5
250.06546	0.7
255.94658	0.5
259.99225	0.4
267.07211	5.2
291.21155	0.5
299.09396	0.7
347.13492	0.8
389.14496	3.0
407.15598	100.0
408.15955	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	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03453	11.5
58.00596	0.8
59.01383	24.7
61.98824	1.4
64.26887	0.8
67.01886	0.9
68.99805	1.4
69.03454	1.9
70.12785	0.7
70.26627	3.5
71.01390	20.2
71.05022	3.8
72.99315	4.6
73.02964	2.0
74.02471	0.9
75.00880	15.5
83.01391	1.2
83.05030	1.2
85.02961	20.5
87.00885	6.4
89.02455	5.4
93.03493	0.7
95.01410	5.6
98.19946	0.9
99.00895	7.7
101.02448	2.1
101.27398	0.6
103.00387	2.4
104.91516	0.6
109.02901	0.7
111.00917	1.1
111.08164	2.0
113.02466	26.5
115.00378	1.5
115.04030	1.7
117.01949	3.4
128.03566	1.3
129.01982	1.8
131.03496	0.9
132.20496	0.7
134.95799	0.7
136.01663	1.8
139.07700	1.4
143.04588	1.0
150.03233	1.7
151.04024	2.5
155.07123	0.9
157.01430	0.8
157.08722	35.2
158.09038	1.6
161.04610	1.1
165.05563	1.7
175.02483	2.0
205.07188	2.1
231.05075	2.2
249.06154	25.9
250.06532	1.9
259.07147	0.6
267.07196	11.8
272.09073	0.8
278.25253	0.7
287.10242	0.7
313.08228	1.7
347.13361	1.1
347.17218	0.9
352.27911	0.7
365.18323	0.8
375.08304	0.8
389.14474	1.1
407.15567	100.0
408.15948	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03451	4.3
58.00598	1.0
59.01382	98.1
60.01726	0.9
60.56428	0.7
61.98838	1.9
67.01903	1.4
68.99824	2.3
69.03454	2.9
71.01388	28.9
72.99325	6.6
73.02957	4.6
75.00878	23.5
79.95712	0.8
81.03437	0.7
83.01389	3.1
83.05007	1.1
84.02173	0.6
85.02960	29.1
87.00885	10.8
89.02451	8.4
93.03471	2.0
95.01395	7.9
97.02964	1.3
97.06600	3.9
99.00887	10.3
99.04532	0.6
101.02454	6.9
103.00365	3.2
103.45440	0.6
107.07696	0.5
109.02989	1.5
111.00903	1.6
111.04457	0.8
113.02467	36.2
114.02815	0.9
115.00396	2.1
117.01983	4.2
119.05050	1.8
120.05392	0.9
122.40062	0.6
123.04582	1.3
129.01959	2.2
135.02985	1.9
135.04541	0.7
139.07695	1.7
143.03510	0.8
145.03011	1.0
149.02423	1.2
150.03210	1.2
157.08722	23.2
158.09036	1.7
159.03040	0.6
161.04500	1.5
165.05569	2.5
171.10248	2.6
175.02524	3.8
176.04619	0.6
189.03967	0.8
195.06616	1.8
203.12811	0.7
204.06480	0.7
205.07137	2.4
207.04901	0.6
209.11780	2.4
223.08162	1.1
227.12868	1.7
231.05121	4.2
249.06148	66.7
250.06522	3.7
267.07187	22.3
268.07547	1.5
285.11218	1.0
291.07098	0.9
309.08261	9.0
331.11719	0.7
347.13174	0.8
347.17099	8.5
348.17526	0.8
359.14984	1.4
365.18207	13.4
366.18292	1.5
389.14493	8.0
390.14801	1.4
407.15350	100.0
408.15698	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	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03440	2.9
58.00585	0.9
59.01381	22.5
60.01713	0.7
61.98816	2.3
66.29183	0.4
67.01881	0.7
67.05547	0.7
68.99810	1.4
69.03448	0.8
69.63620	3.9
71.01385	17.3
72.99325	4.0
73.02944	2.1
75.00880	15.3
81.03448	0.8
83.01387	1.3
85.02962	17.9
85.06589	0.5
87.00890	6.3
89.02460	5.8
91.04031	1.0
93.03476	1.4
93.07138	0.8
95.01400	4.6
99.00890	8.7
101.02450	1.4
101.57936	0.5
103.00397	2.1
111.00909	0.9
113.02459	21.7
113.06096	4.8
114.02793	1.1
115.00396	1.8
117.01938	2.5
119.05022	1.2
120.05343	0.7
129.01941	1.4
131.03494	0.5
134.03729	1.5
136.01685	3.3
139.07684	2.8
143.04587	0.6
143.07138	0.6
149.02466	0.5
149.06079	0.9
150.03226	2.7
151.04027	5.2
157.01347	1.0
157.08717	50.7
158.09088	2.1
163.03957	1.0
165.05560	3.7
175.02525	2.4
181.05052	1.0
195.06593	1.6
205.07143	0.9
211.06239	0.6
231.05176	2.4
249.06143	19.9
249.08766	0.9
250.06503	1.1
255.03131	0.6
267.07190	7.4
347.13492	0.6
347.17105	1.1
368.83603	0.6
389.14499	2.0
407.15573	100.0
408.15912	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	407.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03429	2.9
59.01380	41.4
61.98822	2.9
62.69257	1.0
65.03963	1.7
65.99854	2.7
69.03462	2.0
70.50678	2.2
70.51042	2.4
71.01389	13.7
72.99311	3.1
73.02952	4.1
75.00873	5.5
81.03469	4.6
82.02985	10.7
83.01398	6.7
83.05036	1.8
85.02964	12.9
87.00882	3.4
89.02453	3.5
95.01464	2.5
96.99318	1.4
97.02966	1.3
98.20487	1.2
99.00892	4.9
101.02453	7.2
109.02968	5.5
111.00888	13.3
113.02485	9.1
117.02017	1.1
119.05058	4.5
121.02979	5.8
121.41737	1.1
122.06171	1.3
125.02468	11.9
127.05562	2.7
131.05023	1.7
134.03734	1.2
137.02446	1.4
141.01993	1.7
141.07098	6.1
145.02998	1.2
145.06610	2.2
147.04579	1.3
149.02457	2.2
150.03239	2.9
151.04016	2.4
152.01137	1.3
157.06587	2.0
157.08702	4.3
159.08191	9.1
160.07668	2.5
161.04663	1.6
162.04350	1.4
162.05618	1.7
163.04066	1.1
164.03537	7.6
165.05598	5.3
171.03033	1.6
174.01851	1.3
174.05626	2.5
175.06531	1.6
185.06116	2.2
186.05682	2.3
188.07185	4.6
189.03093	1.6
189.05579	32.5
190.05908	1.6
191.04585	1.8
200.07201	2.3
202.08710	3.0
203.07103	2.2
215.01993	1.7
215.04491	2.4
215.08231	1.3
216.05362	5.8
216.06888	4.3
216.10298	3.1
217.02644	6.5
217.06169	9.2
218.06889	2.2
228.06694	2.6
229.06293	9.4
230.03314	4.5
230.06931	3.8
231.07748	12.8
232.06291	1.4
232.08475	4.0
241.06142	4.2
242.03316	2.8
243.04103	21.2
243.07695	2.8
244.04883	12.1
244.09825	12.8
245.07126	1.2
245.09265	6.9
247.06102	32.8
248.06413	3.1
248.09285	3.6
249.06293	7.1
256.04935	7.9
257.05685	16.7
257.08408	1.7
257.09357	1.8
258.06348	9.4
259.07205	40.6
259.10846	8.1
260.07373	2.7
267.07199	9.4
269.09317	3.8
271.07239	28.3
272.07587	2.2
275.06924	1.6
285.08746	4.8
287.10379	79.9
288.08594	5.1
288.10892	5.5
289.08533	2.0
291.09821	10.4
303.09982	1.6
313.08307	100.0
314.08719	10.1
317.07745	1.8
319.08316	2.3
319.13055	1.7
331.09351	64.6
332.09741	7.1
335.09009	4.1
345.10815	10.3
347.17148	9.1
357.07352	2.4
359.11389	2.2
365.18192	14.9
371.09821	6.6
375.08386	25.0
376.08777	2.7
389.09827	4.5
389.14240	1.4
407.06503	3.6
407.10919	70.8
407.15097	6.0
407.19733	19.8
408.11115	11.3
408.19672	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	407.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
57.03449	9.1
58.00581	1.4
59.01380	64.7
61.98830	7.5
65.99861	1.3
69.03454	1.6
69.79149	6.4
71.01386	29.7
72.99319	5.1
73.02953	5.9
75.00883	10.3
81.03468	4.1
82.02989	10.1
83.01369	6.5
83.05029	3.3
85.02961	26.6
87.00871	8.2
89.02446	16.0
95.01407	4.8
97.02961	1.9
98.20630	1.6
99.00893	9.1
101.02464	16.3
103.00412	1.8
106.03016	1.2
108.04490	1.4
109.02971	3.1
111.00877	8.9
113.02460	27.4
113.03242	1.8
115.00401	1.5
119.03537	5.3
119.05061	3.3
125.02478	5.5
129.02040	1.8
134.03850	1.3
135.04549	2.0
137.02481	1.5
139.07701	3.7
141.07129	4.0
143.03479	1.2
145.03020	1.9
145.90555	1.4
149.02490	2.1
150.03242	2.2
151.04080	1.9
153.01950	1.8
157.06662	2.1
157.08702	10.8
159.08122	6.3
160.07661	2.7
161.04607	5.2
163.04010	1.5
164.03548	6.3
165.05551	3.7
172.07545	1.2
174.05553	1.6
175.02483	2.7
178.86324	1.1
179.03557	1.6
179.05692	1.7
181.05045	1.4
185.06117	1.8
187.02484	1.3
188.07231	3.4
189.05550	18.9
190.05779	1.3
191.04535	1.5
201.11243	1.5
202.08598	2.7
203.04681	1.4
203.07092	1.8
204.06883	1.4
215.04428	1.6
216.05269	5.1
216.06889	3.7
216.10294	1.7
217.02586	7.1
217.06096	8.0
218.06920	3.1
227.12856	2.0
228.06729	3.0
229.06232	9.8
230.03293	1.7
230.06956	4.5
231.07736	12.3
232.08302	3.1
241.06184	2.8
242.03293	2.9
243.04123	22.5
243.07831	3.6
244.04930	11.4
244.07088	1.7
244.07495	1.2
244.09859	14.2
245.05257	1.4
245.09323	7.8
247.06107	22.8
248.06606	1.9
248.09271	4.5
249.06198	17.0
254.07184	1.9
256.04892	7.5
257.05698	18.4
257.08826	2.3
258.06345	6.7
259.07233	49.0
259.10831	8.5
260.07452	3.8
267.07199	19.1
269.09387	3.3
270.06653	1.9
271.07220	25.0
272.07816	3.1
273.37552	1.3
285.08740	6.5
287.10367	78.1
288.08618	5.1
288.10934	4.7
289.09042	1.5
291.09839	11.9
313.08286	100.0
314.08511	12.2
319.08408	2.1
319.12759	2.5
331.09344	63.0
332.09412	6.7
335.09213	2.3
345.10727	9.2
347.17065	13.3
357.07123	2.2
359.11475	2.4
363.12207	1.9
365.18137	13.9
366.18610	2.3
375.08304	25.1
376.08771	3.4
389.09790	4.4
389.14478	5.1
407.10916	75.0
407.15530	34.0
407.19495	25.8
408.11398	9.5
408.15652	3.2
408.19833	3.7
432.20996	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	406.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49521	0.7
56.98110	0.6
59.01374	3.0
61.98837	4.9
64.51472	0.8
65.55190	0.6
71.01394	1.1
71.70892	1.5
85.02977	1.3
87.13415	0.8
96.35696	0.9
101.02467	1.2
108.38802	0.7
111.50767	0.7
112.98820	1.9
113.02492	1.3
119.04989	0.9
128.07196	100.0
128.19156	0.7
129.07564	3.9
140.07170	1.4
142.99886	1.7
147.06651	1.9
170.08247	80.3
171.08609	5.0
173.00981	0.9
189.07635	1.3
214.07199	1.4
247.74467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92979	0.2
55.01894	0.4
57.03455	0.4
58.43678	0.3
59.01379	9.2
61.98833	0.8
64.83901	0.2
65.03973	0.5
68.01579	0.3
69.03476	0.3
69.60013	2.4
71.01389	2.7
72.01729	0.3
72.99310	8.6
75.00883	4.2
81.03462	0.8
83.01403	1.2
83.05046	0.3
85.02964	1.0
87.00889	0.4
89.02430	1.5
91.05542	0.3
95.01370	0.4
96.99317	0.3
99.00893	2.6
101.02471	1.1
109.02996	0.4
111.00892	5.9
112.98830	6.4
113.02454	0.9
115.00398	0.4
116.05087	0.5
117.01987	0.3
119.03581	0.5
119.05038	8.7
120.05406	0.4
127.00340	0.4
127.05582	1.4
135.03011	12.2
137.02608	0.3
141.01970	0.3
142.06639	8.8
142.07750	0.5
142.99850	0.5
145.01436	0.4
145.06647	0.5
147.04539	43.6
148.04890	2.3
154.99879	1.1
158.06125	1.1
163.03989	0.4
165.05585	100.0
166.05923	5.4
171.10294	1.3
173.00934	4.6
185.11848	4.1
186.05612	4.4
187.02530	0.8
189.05569	7.5
190.05942	0.5
197.00912	2.0
204.06677	5.1
207.06618	1.1
215.01985	7.7
216.02336	0.4
227.12897	0.3
228.06682	0.7
233.04518	0.6
240.99828	1.8
246.07687	3.0
259.00949	1.0
261.32855	0.2
330.10220	0.3
347.17130	0.3
363.07071	0.3
407.06256	4.3
407.12268	0.4
407.13150	0.6
407.19110	1.3
408.06589	0.5
408.13068	0.3
408.19879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88429	0.6
59.01380	100.0
60.01724	1.2
61.98829	5.6
65.76733	0.6
71.71176	1.0
91.04040	1.2
232.05331	0.6
271.22913	2.5
405.22839	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	406.0604
Annotation	Scolopendrine
Peak:m/z	Relative Intensity
57.03437	1.1
59.01382	22.4
61.98830	3.5
68.99815	0.5
70.67095	0.5
71.01385	4.8
71.31239	1.0
71.31586	0.5
72.00916	4.2
72.99335	1.1
73.02950	1.5
73.99039	0.5
75.00890	1.0
79.95748	8.9
80.96526	1.8
82.02985	0.7
83.01392	0.8
85.02969	2.8
87.00919	0.8
89.02455	2.2
93.03477	2.0
95.01396	1.2
99.00860	1.4
100.00420	12.8
101.02453	4.1
107.05042	4.2
109.02960	0.6
113.02463	3.8
117.03479	7.1
119.05042	93.8
120.05394	4.4
121.02963	0.8
122.02505	1.5
123.00921	6.9
129.01956	0.9
134.06139	6.8
135.04538	0.8
136.07709	0.7
138.03270	2.9
139.04080	0.6
145.02975	47.7
146.03317	3.2
147.04512	0.7
157.08725	2.2
158.06140	1.5
161.04649	1.1
162.05643	2.6
163.04025	28.1
164.04451	1.0
164.51167	0.5
168.23457	0.5
174.05655	0.8
176.07272	0.7
179.03578	0.7
179.05598	0.6
180.06668	4.5
181.05080	1.6
181.06815	0.7
183.10297	0.8
188.13068	0.6
189.05615	0.6
201.11310	0.6
202.05089	1.1
206.04597	38.3
207.04980	2.0
209.06606	0.7
209.11942	0.8
214.01794	4.4
249.06194	1.3
259.07349	0.8
260.02414	0.6
267.07227	1.5
271.07153	0.6
277.53391	0.5
282.11371	15.7
283.11746	1.7
286.00269	0.9
287.10410	1.9
313.08319	2.0
315.06250	2.3
326.10324	15.3
327.10681	1.2
331.09360	1.5
347.17017	2.9
362.06955	3.2
363.16669	1.2
364.16479	0.6
365.18121	1.2
406.06030	100.0
407.06342	12.8
407.10944	1.5
407.14746	4.1
407.19556	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	405.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01447	3.0
59.01383	37.9
61.98832	100.0
64.10629	3.5
66.57640	2.9
69.03439	4.7
71.01392	6.4
71.71081	5.6
72.99272	2.9
78.07649	2.9
84.54012	3.1
85.02957	8.3
87.00874	4.9
89.02399	3.6
101.02473	7.0
102.05612	8.9
103.91734	3.6
111.04514	4.1
113.02465	4.2
121.14579	3.3
123.01006	3.4
125.02464	7.3
129.01938	10.8
135.00937	3.9
151.00397	4.2
162.12904	4.5
165.12827	5.2
183.13869	5.1
184.14183	4.1
185.14592	3.6
190.12386	8.8
207.50685	3.3
235.74554	3.7
243.06480	10.2
267.06964	4.4
278.82071	3.8
405.11606	3.6
405.15689	5.9
405.20151	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
57.82740	0.5
59.01380	100.0
60.01717	1.7
61.98843	0.7
71.01386	7.3
71.71423	0.8
73.02961	1.6
75.00920	0.6
85.02972	3.0
89.02464	6.2
95.01378	0.9
99.00908	0.9
101.02471	5.1
113.02483	6.0
119.03526	3.4
119.05066	0.6
121.10280	2.3
122.06139	0.7
136.07791	0.6
143.03549	1.1
145.06227	1.2
161.04597	2.2
179.05667	1.1
181.12378	1.8
183.10275	61.8
184.10625	4.1
189.97876	0.6
195.06558	0.7
197.11758	0.6
199.13539	0.8
207.10257	3.1
225.11429	1.7
237.11397	1.3
243.12308	1.4
243.16010	1.2
285.12585	0.9
295.43823	0.6
306.42496	0.5
345.15558	0.7
405.12698	0.7
405.17480	2.1
405.22018	3.2
406.06299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1195
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
52.07288	0.2
57.03439	0.7
58.02962	0.4
59.01380	8.7
61.98830	6.3
65.00323	0.5
65.03964	2.9
67.01888	1.5
68.99825	0.9
71.01380	1.9
71.71866	0.4
73.02928	0.4
74.02477	0.8
80.02669	0.7
83.01398	0.3
85.02953	0.7
87.00877	0.3
89.02467	0.8
91.01904	41.9
92.02248	1.4
93.03473	0.4
99.00867	0.4
101.02437	0.8
104.03528	0.8
107.01440	0.3
107.05036	2.3
108.02187	4.0
108.86988	0.3
109.02968	28.0
110.03318	1.0
111.67985	0.3
113.02494	0.6
113.99625	0.3
116.05055	0.4
119.05035	0.6
121.02972	1.3
123.04560	0.7
124.42312	0.2
125.02437	0.5
129.01961	1.1
129.10371	1.9
131.05019	0.3
133.02985	1.9
135.00902	100.0
136.01210	4.7
137.02466	4.0
138.02751	0.3
144.34810	0.3
145.02954	1.0
147.03038	1.5
147.04523	0.5
149.02432	1.2
151.04018	0.3
153.01956	92.0
154.02293	4.2
159.04510	0.3
160.07655	0.3
161.02477	2.1
161.04575	0.7
163.04070	0.7
171.11421	1.4
172.07686	0.4
174.01717	1.1
175.04042	3.0
177.01950	3.4
179.03528	0.4
187.07553	0.5
189.02026	0.4
197.06073	1.2
225.05646	1.4
238.12149	0.3
242.11775	0.5
243.06619	12.3
243.16154	0.3
244.07025	1.0
267.06665	0.6
268.07141	0.3
297.06152	16.6
298.06519	1.2
301.20236	0.3
307.15634	0.5
344.19540	0.4
376.18744	1.4
405.11920	14.0
405.20374	2.0
406.12363	2.0
406.19785	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93650	0.3
58.30413	0.3
58.32160	0.3
59.01380	100.0
60.01717	1.4
61.98832	2.5
69.99580	1.6
71.01394	0.9
78.73476	0.3
88.98823	3.9
89.02448	0.4
101.02473	0.4
108.94897	0.3
110.02520	0.7
110.23436	0.2
113.02475	0.5
119.05046	0.5
122.03767	0.7
130.10217	0.3
130.48009	0.3
135.40572	0.3
137.02637	0.3
150.03221	0.3
153.01971	1.6
153.05637	1.0
161.04607	0.4
163.04047	0.4
168.04321	3.6
180.03806	0.3
183.06644	16.5
184.07079	1.1
185.13298	0.3
185.34229	0.3
319.08334	0.6
342.09451	0.3
347.25803	0.3
405.14075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33413	0.1
61.98835	100.0
62.23679	0.1
63.19960	0.2
65.46140	0.1
71.70985	0.3
210.90453	0.1
263.89621	0.2
272.90039	0.2
404.10315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97057	0.2
61.98833	100.0
68.96391	0.2
70.65275	0.6
80.17751	0.2
88.37727	0.2
95.89930	0.2
160.70074	0.2
161.02400	0.2
311.27835	0.2
404.10617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51546	0.6
55.92437	0.7
57.03440	2.2
58.02979	8.6
59.01381	13.5
61.98832	5.1
66.03479	1.1
70.02979	1.4
70.26444	3.8
71.01381	7.1
72.00906	1.5
73.02957	1.0
74.02482	18.0
82.02995	2.7
83.22578	0.7
85.02953	2.1
86.02505	7.1
86.06097	0.8
86.99113	1.1
87.05645	5.4
89.02460	7.0
90.00201	1.5
90.71226	0.8
97.04094	2.1
99.00892	0.9
99.05666	17.9
101.02471	5.3
101.07230	3.4
102.05611	1.5
107.06143	1.0
109.04107	2.7
111.05677	2.4
112.04067	2.2
113.02479	3.0
116.01779	1.1
119.03501	2.1
123.05650	2.0
124.04070	1.2
125.03567	1.9
127.05162	4.2
128.03568	47.3
129.03891	2.1
131.04636	1.9
135.05693	3.8
137.07249	1.0
141.06709	5.5
143.04652	64.8
144.04993	2.1
145.06241	2.8
146.04631	6.4
153.06702	3.7
155.07164	1.2
155.08286	1.1
160.00780	18.0
161.04552	1.9
166.09900	2.6
167.04669	4.9
167.08284	2.9
171.04285	0.7
177.03398	5.7
179.04643	12.3
180.04878	1.0
181.06197	2.4
183.85143	0.8
185.05664	1.7
192.07800	0.7
197.05609	2.1
210.08856	10.9
211.09229	1.0
213.03510	0.7
228.10036	0.9
242.07767	1.4
243.15999	1.1
249.06139	1.0
254.07841	18.1
255.08260	1.6
272.08884	27.5
273.09137	2.2
288.06619	9.8
306.07678	100.0
307.07883	7.1
308.18323	0.7
404.15372	0.9
404.21133	1.0
405.14139	2.0
405.21558	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	404.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22198	0.2
59.01381	1.4
60.09105	0.3
61.98833	100.0
70.91438	0.9
70.91792	0.3
100.00452	0.6
127.86554	0.3
188.13968	0.3
206.06473	0.6
304.13834	0.9
307.89484	0.3
361.15915	1.4
405.15045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98833	100.0
70.86472	0.7
72.75562	0.4
96.01057	0.3
107.45007	0.3
133.57306	0.3
200.63495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Astringin
Peak:m/z	Relative Intensity
55.76252	0.2
57.63449	0.2
59.01374	0.9
59.85022	0.2
61.98795	0.6
65.00301	0.5
65.03938	0.2
69.03419	0.2
71.01358	0.3
73.45130	0.2
74.55721	0.2
75.00887	2.6
80.02656	0.6
81.03455	0.2
85.02946	0.5
87.00836	0.2
89.02398	0.2
89.03561	0.2
91.01907	14.2
92.02221	0.6
93.03439	0.4
95.01382	0.8
98.20752	0.2
99.00850	0.3
101.02448	0.2
107.05041	0.5
108.02190	17.3
109.03009	3.6
113.02428	0.5
120.92677	0.2
121.02946	0.8
123.00907	5.7
124.01641	0.6
129.01967	0.3
131.40099	0.2
135.00909	14.6
136.01212	0.7
137.02467	4.1
152.01181	17.1
153.01511	0.6
155.10828	1.2
155.27107	0.2
169.06670	0.2
197.06108	1.4
199.07628	0.6
211.56044	0.2
213.05553	1.3
213.39458	0.2
215.07132	0.8
225.05547	0.3
230.66667	0.2
241.05228	0.4
243.06624	100.0
244.06964	8.3
249.06087	0.4
405.12015	8.2
405.17682	1.4
406.12274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84024	0.5
57.03439	0.8
59.01384	7.6
61.98835	100.0
63.29021	0.6
70.73101	1.4
70.73450	0.7
71.01389	4.2
72.99324	0.5
73.02941	0.5
75.00889	1.0
76.86146	0.5
81.03453	0.7
83.05064	1.1
85.02970	1.8
87.00886	1.0
89.02437	3.2
95.01395	0.7
99.00913	0.7
101.02470	2.1
106.04165	0.5
107.94717	0.5
109.02940	0.7
111.08250	0.7
113.02487	2.2
115.00400	1.7
119.03537	1.5
121.09826	0.5
121.48194	0.5
128.03571	1.0
133.02971	3.1
135.04546	20.5
136.04921	0.8
137.02490	0.6
143.04686	0.6
147.98621	0.6
148.05339	0.7
149.06107	2.7
155.07178	1.5
161.02472	26.5
162.02794	1.5
175.02507	3.2
177.05583	7.1
179.03513	31.3
180.03885	1.8
183.10347	1.6
221.04561	13.4
249.06186	1.4
251.05603	16.9
252.06102	1.5
267.07394	1.5
281.06677	22.0
282.07138	2.3
306.07666	1.1
312.08408	0.7
323.07870	1.7
341.08801	32.0
342.09225	4.2
348.92163	0.5
404.03033	0.6
405.13849	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	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.7
61.98833	100.0
71.01392	4.4
71.20398	1.3
80.72952	0.4
89.02449	4.0
101.02460	2.3
108.67740	0.5
109.02998	0.7
113.02483	1.9
119.03502	1.3
133.02977	4.2
135.04544	24.2
136.04872	1.3
136.20238	0.5
137.02451	0.7
143.03532	0.7
149.06093	4.9
161.02461	22.9
162.02878	1.5
177.05573	8.9
178.06104	0.6
179.03514	30.7
180.03879	2.2
203.03543	0.9
221.04564	15.8
222.04964	1.2
251.05611	15.1
252.06046	1.6
281.06674	27.1
282.07007	2.3
313.29428	0.5
323.07861	1.3
341.08783	32.1
342.09143	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	403.1612
Annotation	Glu-Ala-Trp
Peak:m/z	Relative Intensity
53.42817	0.5
55.01875	1.2
57.03449	3.6
57.03686	0.6
58.00577	0.6
58.55729	0.6
59.01380	37.6
61.98830	7.3
63.89011	0.5
67.01884	1.2
68.99815	1.7
69.03457	1.5
69.84839	2.8
71.01387	19.5
72.88945	0.7
72.99311	7.1
73.02973	2.3
75.00880	22.4
76.01226	0.6
81.03485	0.7
83.01402	1.1
85.02959	26.1
86.03304	0.7
87.00887	9.9
87.01415	0.7
89.02451	5.4
93.03480	0.6
95.01392	6.5
99.00893	12.8
103.00370	2.9
107.08687	0.6
109.02951	0.7
111.00912	1.8
113.02462	34.8
114.02782	1.4
115.00411	2.8
117.01955	4.8
118.02311	0.7
129.01964	1.7
133.04964	0.6
135.08192	1.3
145.93152	0.5
153.09233	75.8
154.09540	4.8
157.01414	1.5
162.20839	0.5
175.02504	4.4
175.44058	0.5
189.04222	0.7
205.07248	1.3
222.29271	0.5
231.05116	4.1
245.11688	0.6
249.06149	33.4
250.06558	2.9
267.07169	4.8
268.42087	0.5
343.13736	0.7
385.15079	4.0
403.16110	100.0
404.16437	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	404.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
61.98833	57.1
71.00232	1.3
71.00602	1.2
71.01393	3.6
76.72369	0.5
78.59127	0.5
85.02972	1.0
89.02447	3.3
101.02460	1.8
113.02449	1.8
119.03502	0.7
132.02202	1.0
133.02982	17.1
134.03268	0.5
135.04543	11.2
138.02797	0.7
149.06120	0.9
161.02467	100.0
162.02808	5.3
165.21982	0.6
177.05634	2.7
179.03519	24.8
180.03848	1.3
203.03481	2.3
221.04555	3.3
248.81061	0.7
251.05559	3.2
281.06665	6.8
306.08023	0.6
341.08795	61.3
342.09186	6.8
405.13864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37174	0.5
57.03458	0.9
57.88543	0.5
58.00593	0.5
59.01386	10.8
59.41945	0.5
61.98834	100.0
68.62477	0.5
71.01389	7.5
71.53450	0.8
71.53781	1.0
72.99341	0.6
73.02958	0.6
75.00908	2.1
83.05045	1.9
85.02956	3.3
87.00908	1.1
87.16734	0.6
89.02469	4.4
95.01418	0.8
99.00915	1.1
99.05640	0.5
101.02485	2.4
111.08205	0.7
111.84303	0.5
113.02464	4.5
113.57244	0.5
115.00442	0.8
117.02016	0.7
119.03551	1.3
128.03578	1.3
133.02995	2.1
134.03725	0.6
135.04555	19.6
136.04875	0.8
137.02513	0.9
143.04669	1.4
149.06113	3.2
155.07144	3.0
161.02481	16.3
161.04591	1.1
162.02795	1.1
177.05614	7.4
178.02811	0.5
179.03517	26.6
180.03923	1.8
183.10313	0.9
189.05783	0.6
203.03529	1.2
221.04570	13.1
233.04539	0.6
249.06200	3.6
251.05611	12.3
252.06024	1.0
267.07288	2.1
271.08377	0.9
281.06671	21.7
282.07104	2.0
290.53995	0.6
306.07678	2.3
323.07718	0.9
341.08795	26.9
342.09186	2.2
405.14050	11.2
405.19641	0.8
405.21811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01383	100.0
60.01720	1.4
61.98836	34.3
67.01919	0.5
69.05750	0.4
69.53804	1.4
69.54231	2.4
71.01387	7.1
72.99320	1.1
74.02465	0.6
75.00885	1.4
83.01405	0.9
85.02957	3.2
87.00890	1.5
89.02463	7.4
93.03484	1.1
95.01424	1.5
97.67538	0.4
99.00906	1.2
101.02480	3.0
102.02808	0.4
107.05070	0.6
108.02231	0.5
109.02986	0.9
111.00957	0.6
113.02493	4.8
117.25706	0.4
119.03532	2.2
121.02972	0.9
123.88746	0.4
125.02444	1.4
131.03505	0.4
133.03030	2.3
135.04572	1.4
137.02487	0.5
143.03534	0.6
146.03769	18.4
147.04141	0.7
149.02472	1.2
150.03067	0.5
151.04013	1.0
152.01132	0.5
153.01941	1.3
161.02434	0.7
161.04752	0.7
161.06076	6.7
162.03273	0.5
162.06580	0.5
163.04041	0.7
164.03458	0.7
164.04823	14.1
165.05211	0.8
177.01958	4.0
177.05566	0.7
179.03677	1.1
179.07156	56.4
180.07545	2.7
209.06589	0.6
221.04660	0.5
249.06136	1.6
264.04404	0.4
265.07275	0.6
267.07230	5.2
311.08026	0.5
321.04321	0.5
341.10934	5.6
342.11115	0.9
401.10782	12.1
401.15344	0.7
401.18948	0.8
402.11227	2.1
422.49884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03450	1.5
59.01381	16.2
59.17484	0.5
61.98833	8.7
67.01893	1.1
68.99810	1.3
69.03468	1.3
69.44313	0.6
69.94476	2.5
69.94902	1.3
71.01388	17.3
72.99308	3.6
73.02945	1.7
75.00880	16.3
77.87986	0.5
81.03445	0.8
83.01385	1.3
85.02959	19.2
86.03287	0.7
87.00887	7.4
89.02442	5.9
91.04036	0.7
93.03476	1.5
95.01405	4.8
97.02975	0.6
99.00903	8.6
101.02439	1.0
103.00388	2.0
106.04266	2.5
107.04359	1.0
107.05041	9.8
108.02177	1.2
111.00891	1.0
113.02470	24.2
113.52083	0.5
114.02822	0.6
114.34071	0.5
115.00371	2.2
117.01932	1.4
121.02982	2.3
123.04557	3.5
129.01950	1.2
132.02164	0.5
133.02968	6.3
138.03224	0.6
151.04031	17.0
157.01428	1.4
175.02501	2.5
179.07140	0.8
179.48151	0.6
188.00041	0.6
205.06981	0.7
207.05090	1.6
225.07680	1.0
231.05099	2.1
249.06148	25.6
250.06439	1.5
267.07199	45.4
268.07535	2.5
312.91040	0.5
341.11285	0.5
383.09827	1.8
401.10886	100.0
402.11212	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	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.9
58.00585	2.8
59.01089	3.2
59.01378	63.0
59.97105	1.5
60.99301	2.6
70.00920	2.7
70.01329	6.3
71.01385	50.4
72.99309	19.1
73.02946	4.6
75.00877	1.8
83.01386	1.8
85.02966	10.5
87.00882	30.7
89.02452	61.5
95.01389	2.0
98.20552	1.9
101.02467	25.1
111.00951	2.0
113.02448	18.4
119.03518	20.2
119.87809	1.6
125.02536	1.7
131.03525	3.4
133.01459	17.9
138.03297	1.7
143.03487	3.9
145.01430	2.0
149.04495	1.8
161.02473	2.8
161.04549	4.8
163.03966	3.9
164.04826	6.4
165.05467	2.0
166.02740	4.2
169.91266	1.7
176.04831	3.3
178.06335	2.8
179.03558	4.5
179.05595	22.2
179.07147	16.4
181.05051	4.8
182.61452	1.5
191.03499	4.7
193.05098	4.3
194.05864	4.0
205.05074	2.3
206.05731	2.4
209.06572	4.4
209.08324	3.9
221.02919	3.6
221.08177	2.0
247.02396	2.4
265.07150	26.2
266.07477	2.9
277.07214	9.1
295.08203	15.2
295.83130	1.5
325.09152	5.1
341.10898	100.0
342.11240	9.6
355.10339	5.2
383.09677	2.2
401.10876	57.4
402.11377	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00538	1.1
59.01094	2.0
59.01381	38.4
59.67605	1.2
60.99297	2.4
68.99844	1.7
69.73602	6.1
69.74025	4.3
71.01389	32.1
72.99318	17.4
73.02944	5.8
75.00887	2.0
83.01431	2.6
84.82739	1.3
85.02970	13.6
87.00887	60.2
88.59766	1.3
89.02458	41.9
90.02771	1.4
95.01385	1.8
99.00912	2.2
101.02461	15.1
111.00924	1.9
113.02464	15.1
119.03518	12.4
121.03004	1.6
123.00902	1.7
129.01962	2.8
131.03520	3.6
133.01442	22.3
133.75964	1.6
138.03215	1.6
143.03474	3.5
145.01457	2.3
149.02487	2.9
151.00412	3.1
151.03990	1.7
153.05574	1.5
161.02437	4.5
161.04561	5.1
163.04008	11.5
164.04814	14.7
165.05556	3.0
166.02753	8.3
173.02438	1.5
175.04018	1.9
176.04808	7.2
177.01949	3.7
178.06329	9.1
179.03517	11.2
179.05605	15.3
179.07156	30.5
181.05069	12.4
190.02710	1.5
191.03510	8.3
191.07179	5.8
192.04219	2.7
193.05098	6.7
194.05869	9.5
203.03563	2.7
204.04292	2.1
205.05002	5.3
206.05838	4.9
207.03038	1.7
207.06538	2.8
209.06598	4.1
209.08321	11.1
219.02893	3.2
221.02879	2.6
221.04747	2.0
221.08244	3.7
221.85655	1.4
231.02827	1.4
234.05241	2.2
237.07663	3.8
238.04860	1.6
247.02490	3.1
247.06366	1.8
249.07689	4.7
251.09212	2.4
261.07715	2.6
262.04889	5.4
265.07169	55.4
266.07504	3.9
271.90894	1.7
277.07156	12.7
295.08255	26.5
296.08423	1.8
325.09235	10.7
341.10938	58.9
342.11322	5.1
355.10303	7.7
356.10596	1.6
383.09869	4.8
401.10913	100.0
402.11307	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.47272	0.7
59.01390	4.5
60.68067	0.9
68.17620	0.9
68.99813	2.1
71.01384	6.7
71.53332	1.5
72.99272	0.9
73.02954	4.1
83.01376	1.5
85.02971	4.2
87.00885	58.4
88.65289	0.8
89.02433	1.5
97.02945	1.1
101.02450	3.9
111.00912	1.6
113.02428	3.3
113.23004	0.8
121.02934	1.8
123.00888	4.0
129.01921	0.9
131.03499	1.5
135.04523	2.4
138.03253	2.2
139.00383	1.6
146.02206	0.8
146.06361	0.8
147.04523	1.3
149.02393	4.3
151.00333	3.2
151.03978	1.2
153.05566	1.5
161.02452	6.8
162.02919	1.0
163.04031	20.0
164.04797	12.4
165.02043	1.0
165.05617	4.0
166.02740	7.5
166.06245	1.1
173.02548	1.8
174.03000	0.8
175.04015	4.1
176.01276	0.8
176.04816	12.2
177.01935	3.6
177.05478	2.2
178.02812	1.2
178.06384	19.2
179.03571	9.5
179.07150	34.5
180.07506	1.9
181.05067	7.5
181.89067	0.9
187.03938	1.6
188.04790	1.6
189.01971	1.3
190.02689	1.7
191.03523	21.0
191.05400	1.5
191.07117	8.8
192.04147	3.6
192.07541	1.0
193.05077	9.4
193.08696	4.0
194.05826	9.0
199.73352	0.9
201.01956	1.1
202.06323	1.4
203.03535	6.6
203.06999	1.0
204.04216	3.0
205.01410	1.8
205.05069	11.4
206.05826	8.6
207.03011	1.4
207.06528	3.0
208.07352	3.1
209.08188	8.2
218.05840	3.5
219.03020	4.1
219.06435	2.5
220.03615	1.4
221.04601	4.5
221.08176	8.7
222.05348	2.3
231.02859	1.9
233.08206	1.9
234.05338	3.3
235.06099	3.2
236.06889	3.2
237.07669	4.6
238.04825	2.8
243.02992	1.2
246.05304	1.5
247.02515	6.5
247.06148	5.0
249.07700	6.9
250.04785	2.6
251.09290	4.4
257.26608	0.9
261.07626	2.2
262.04816	11.1
265.07159	54.4
266.07449	5.7
277.07169	27.0
278.07562	3.4
279.08826	1.1
291.08841	1.1
295.08224	70.5
296.08636	4.9
325.09390	1.8
337.09225	2.7
341.10776	1.9
355.10379	19.9
356.10605	1.7
383.09897	7.5
401.10892	100.0
402.11288	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	399.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03437	2.5
59.01384	14.3
67.01879	1.7
68.99822	2.1
69.03449	1.4
71.01385	18.3
71.71507	1.0
72.99303	0.7
73.02960	3.2
75.00875	0.7
81.17215	0.6
83.01398	2.5
84.08342	0.5
85.02959	18.3
85.88715	0.6
86.79648	0.6
87.00885	5.2
88.76287	0.6
89.02458	3.2
91.03987	0.9
91.04992	1.0
91.05546	15.5
93.03458	0.7
93.11507	0.6
95.01372	3.2
97.02962	0.8
99.00880	1.1
101.02443	7.5
103.00392	1.1
105.03474	0.8
109.02982	1.1
111.00878	3.3
111.04559	0.7
113.02462	19.0
114.02783	1.1
117.03484	6.5
119.05003	1.0
121.02936	0.7
122.03753	0.8
129.01964	1.8
132.02199	5.4
133.02979	25.3
134.03795	6.0
135.04543	24.0
136.04936	0.7
137.02472	1.0
139.00368	0.6
146.04671	0.6
147.04538	5.4
149.06099	1.5
157.01454	0.8
160.00673	0.6
160.01672	27.4
161.02464	78.9
161.04613	3.6
162.02777	4.5
163.04004	1.1
165.05585	3.7
175.04025	34.8
176.04359	2.1
179.03511	2.1
193.05074	7.0
205.07176	5.5
207.06654	3.0
222.75182	0.6
231.05113	1.0
249.06233	3.0
251.11377	6.1
263.07715	15.5
281.08774	30.5
282.09171	1.8
345.32596	0.7
351.88126	0.8
384.10413	0.8
399.12976	100.0
400.13263	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	399.1299
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
54.30899	0.4
59.01383	4.7
69.63673	2.9
69.64084	1.0
71.01393	4.0
72.99310	1.0
73.02952	1.3
78.08495	0.4
83.01397	0.9
85.02960	2.9
87.00876	0.7
89.02470	0.6
99.00902	0.8
101.02444	2.8
111.00901	0.6
112.06567	0.4
113.02460	1.4
117.03516	1.3
118.31884	0.4
126.17221	0.4
131.19157	0.4
132.02209	1.5
133.02975	28.6
134.03445	1.0
135.04556	7.2
137.02477	0.7
147.04509	0.5
161.02466	100.0
162.02808	6.2
163.04071	0.8
179.03505	3.4
183.05252	0.4
207.03075	0.7
221.04781	0.5
242.11035	0.4
277.95599	0.5
302.80103	0.4
307.25031	0.5
318.66754	0.4
323.07791	0.6
399.12994	63.4
400.13333	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
57.03450	14.7
58.20189	0.7
59.01380	10.7
61.98834	97.9
67.01883	0.7
68.99820	0.8
69.75037	4.4
71.01390	9.9
72.42841	0.6
72.99319	2.2
73.02955	3.5
74.02494	0.6
75.00886	6.7
83.01397	10.4
84.02185	1.8
85.02962	83.2
86.03295	1.8
86.43462	0.6
87.00873	3.2
89.02451	1.7
91.71737	0.6
99.00903	1.6
101.02460	9.5
103.03979	0.7
109.02959	0.8
110.02512	1.3
111.00900	36.6
112.01232	0.8
113.02448	1.1
114.05610	1.2
115.00376	2.3
117.03481	0.9
119.03491	0.7
123.04568	0.8
125.02437	1.9
126.85085	0.6
129.01964	31.8
130.02242	1.2
131.03525	1.1
133.02983	2.3
134.03755	10.5
134.04704	1.0
135.04526	1.0
137.02490	1.0
147.03026	3.2
149.06061	2.2
151.04034	1.0
154.99800	0.7
159.03000	0.8
161.02483	8.6
161.04594	2.8
162.03249	3.0
163.04027	1.3
165.04192	0.8
165.05508	0.8
173.00941	1.2
175.02582	1.2
175.03941	0.9
177.01840	2.9
177.05574	1.1
179.03476	2.0
179.05635	0.6
180.04311	5.8
185.06218	0.7
187.02515	2.0
193.05075	4.1
194.05685	0.8
195.06621	9.6
201.11249	0.8
205.03545	35.5
206.03847	0.9
223.04601	100.0
224.04967	4.4
233.04503	1.9
237.05969	5.3
275.50497	0.7
277.03458	5.2
319.04681	2.2
337.05539	2.0
339.10919	2.1
357.11865	0.9
399.08850	4.2
400.05356	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	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00383	0.9
57.03444	2.0
58.06373	0.7
59.01374	8.9
61.98826	8.3
69.03439	1.0
70.51583	0.7
71.01385	5.1
71.28878	1.3
72.64556	0.7
72.99327	1.6
73.02958	4.4
74.02472	1.3
75.00880	2.5
77.03958	2.5
78.95933	0.8
79.50734	0.7
80.46941	0.7
83.01389	2.5
85.02967	12.7
87.00925	1.5
89.02445	1.6
89.03957	1.1
93.03474	1.6
95.05022	3.7
99.00888	1.5
99.92597	0.7
101.02470	2.1
105.03468	18.4
109.02985	2.0
111.00888	6.6
113.02479	1.1
115.92090	1.4
116.92893	1.4
117.03499	1.0
119.05038	1.9
121.02979	2.9
123.04551	8.8
125.02457	1.9
129.01970	5.9
132.02138	1.1
133.02975	100.0
134.03380	5.2
135.04526	3.5
137.02457	2.5
139.04028	2.6
146.03761	1.0
147.04517	2.5
149.02454	8.3
149.06125	1.3
150.03127	1.0
151.04039	4.7
159.04518	1.2
161.02493	4.8
162.03247	0.9
163.04025	2.7
164.04671	1.1
165.05597	2.4
173.01019	0.9
175.02608	1.4
175.04024	4.2
177.01956	58.8
177.05551	3.5
178.02281	4.8
178.06415	2.3
179.03517	2.8
180.04164	0.8
187.04044	1.5
190.02679	1.4
191.01912	1.2
191.03529	6.8
192.04218	1.3
193.05054	2.6
193.08775	0.8
194.05566	1.0
195.02837	0.9
195.06638	2.0
203.03468	0.8
204.04221	0.8
205.03404	3.8
205.05194	3.7
206.05772	2.4
207.02925	1.4
219.03006	1.5
220.07401	1.2
221.04662	0.8
221.08203	4.9
222.05344	1.4
223.04544	6.0
237.07788	3.9
239.09224	3.6
265.07162	14.7
279.05109	7.3
291.15744	1.0
309.06070	2.0
309.09732	0.8
329.39102	0.8
339.07343	2.4
399.08618	3.7
399.13602	1.6
399.17999	1.4
400.14160	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	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92342	0.6
54.57621	0.6
55.01878	3.9
57.03453	17.4
59.01379	5.0
61.98833	23.0
63.01206	0.6
67.01891	1.8
68.99821	1.0
71.01385	7.2
71.71090	0.9
71.71497	0.9
72.99308	2.4
73.02958	3.9
75.00882	3.0
81.03465	0.7
83.01395	9.3
84.02180	3.1
85.02962	100.0
86.03316	2.7
87.00890	2.0
88.04035	0.7
89.02442	0.9
99.00900	2.2
101.02465	6.4
110.97106	0.9
111.00899	29.8
112.01257	1.1
117.03488	1.3
123.04546	2.5
125.02502	2.0
128.01151	0.6
129.01965	43.7
130.02304	1.2
131.03612	0.9
133.02988	2.5
134.03767	12.1
134.04691	0.9
135.04512	1.8
139.04053	2.1
147.03046	1.3
149.02426	3.9
149.06187	1.3
150.03058	0.8
151.04005	1.2
155.03644	0.8
159.03099	0.7
161.02466	2.9
161.04573	3.7
163.04070	0.6
165.19363	0.7
168.69165	0.8
169.06166	0.7
174.01773	1.4
175.04005	1.6
177.01938	7.9
177.04199	0.7
177.05530	0.9
178.02496	0.8
179.03543	2.1
187.02492	2.1
193.05067	7.7
195.06648	1.1
205.03551	32.0
206.03841	1.4
219.03001	0.8
223.04602	27.5
237.05954	1.2
267.37738	0.8
277.03516	1.3
279.05109	4.4
286.53738	0.7
299.40988	0.8
319.04904	1.5
327.08197	0.9
386.67746	0.7
399.08881	3.5
399.13657	2.1
400.13739	0.9
422.76157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.187
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
50.62664	0.5
58.00587	1.3
59.01369	1.2
61.98817	1.7
71.01371	0.5
71.54354	1.0
73.02955	0.7
85.02960	1.9
87.04514	4.1
110.14103	0.6
111.00891	7.8
113.06099	7.0
137.09738	4.1
160.01683	1.3
165.05568	1.5
173.00908	3.3
175.04007	2.5
180.38640	0.5
189.12807	0.9
191.14478	1.1
193.05077	0.8
243.17490	1.8
257.15469	12.1
258.15765	0.9
261.11343	9.6
261.18600	0.9
262.11667	0.8
273.18600	8.8
274.19016	1.5
275.16528	2.5
289.18103	1.4
291.19641	2.2
296.41037	0.7
309.20743	3.5
335.18625	38.6
336.18930	4.6
353.19751	3.6
361.16568	1.3
379.17590	13.1
380.18045	2.0
397.18701	100.0
398.19006	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	396.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46715	0.2
52.15602	0.2
54.24452	0.2
54.63719	0.2
54.80222	0.2
59.01379	1.0
61.98833	100.0
62.34352	0.2
62.98531	0.3
66.37011	0.2
69.99051	1.1
71.01398	0.3
89.83040	0.3
98.19901	0.2
105.50291	0.2
182.45328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
61.98814	0.5
63.78812	0.2
67.01885	2.5
69.65263	1.1
69.65696	1.0
71.01392	0.7
72.99319	3.3
83.01395	3.1
83.04999	0.3
85.02964	16.4
86.03309	0.7
87.00881	0.4
89.02455	0.5
91.83491	0.3
99.00901	0.6
101.02479	2.2
111.00900	100.0
111.65742	0.2
112.01236	2.9
117.03523	0.7
119.05058	1.1
122.06182	0.3
129.01965	4.7
132.02197	0.4
134.03767	0.7
145.02969	2.5
145.05289	0.3
149.02438	0.6
154.99893	14.2
156.00192	0.5
160.01663	1.5
160.03995	0.6
161.02380	0.6
163.04036	0.8
164.04796	0.3
171.29927	0.3
173.00945	29.9
173.06032	0.7
174.01256	1.4
175.04005	2.2
189.04327	1.0
191.07201	0.6
193.05081	0.9
219.33630	0.2
235.06128	0.5
267.11478	0.6
311.10370	0.6
337.09204	0.4
343.12991	1.1
349.42926	0.3
361.14087	1.8
362.14075	0.3
397.11154	1.0
397.15280	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	397.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
59.67934	0.2
61.98832	100.0
67.01881	0.3
71.01409	0.4
72.99322	0.6
73.02943	0.2
75.14126	0.2
83.01401	0.6
85.02956	1.7
93.03474	0.2
96.16428	0.2
99.00901	0.3
101.02482	0.5
111.00899	11.1
112.01260	0.2
113.02486	0.3
115.92131	0.2
119.05050	0.4
123.04620	0.3
125.02483	0.4
129.01988	0.7
130.08783	0.2
133.03001	0.3
134.03734	0.2
135.04533	1.0
140.28401	0.2
145.03044	0.2
148.05345	0.2
154.99890	1.7
161.02464	1.0
163.04048	0.3
170.94095	0.2
172.09796	0.3
173.00925	3.3
175.03958	0.3
179.03502	0.9
191.03555	0.2
193.05099	0.2
235.06252	0.3
254.21475	0.2
335.07953	0.5
337.18741	0.5
397.11221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09427	0.5
54.45285	0.6
55.01863	0.6
57.03446	4.4
58.00573	0.7
59.01384	27.9
59.94516	0.5
61.98826	1.3
67.01897	1.0
68.99823	1.4
69.03473	0.6
70.47759	1.6
71.01390	21.7
71.05021	4.4
72.99303	3.7
73.02945	2.8
75.00883	16.8
78.60433	0.5
80.90593	0.6
83.01374	1.1
83.05045	0.6
85.02966	22.3
86.03278	0.7
87.00889	7.1
87.04532	0.6
89.02456	8.9
91.04034	1.0
93.03455	0.8
95.01411	4.9
96.04536	0.7
99.00892	9.2
99.08176	33.5
100.08518	1.1
101.02467	2.9
101.09733	2.0
103.00405	2.6
111.00879	1.0
113.02473	30.1
114.02778	1.3
115.00379	2.1
117.01981	2.8
117.02698	0.5
119.03494	1.4
127.00414	1.1
127.05559	1.4
127.07655	3.4
129.01933	1.6
131.03516	0.7
135.04567	0.7
143.07130	3.9
145.08733	63.0
146.09073	3.3
147.06654	0.5
161.02473	1.4
161.04568	0.9
161.06033	0.6
171.04526	2.6
175.02458	2.3
183.06389	0.8
189.05588	4.1
205.07162	2.5
213.07579	0.8
231.05035	2.4
233.04558	6.6
234.04872	0.7
249.06149	20.6
250.06520	1.5
267.07205	10.2
268.07596	0.6
275.05609	2.2
305.08926	0.7
335.07474	3.1
335.17126	1.0
377.14258	2.3
395.09943	16.8
395.15500	100.0
396.10135	2.1
396.15866	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
58.00589	0.3
59.01383	100.0
60.01712	1.2
61.98835	0.7
69.98494	0.8
69.98913	0.8
71.01389	7.6
72.99326	0.3
73.02973	0.3
75.00906	0.3
85.02960	1.2
87.00895	0.9
89.02459	10.5
90.02814	0.3
93.63894	0.2
95.01420	0.7
101.02464	3.3
103.72186	0.3
113.02475	3.6
119.03521	4.1
129.09250	2.5
131.03558	0.7
143.03531	1.2
143.10783	1.4
161.04559	1.2
179.05684	2.2
201.05612	0.5
209.99002	0.2
215.10852	0.2
230.13235	0.6
261.07635	0.3
262.24875	0.2
393.17767	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	394.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
61.98834	100.0
62.98549	0.2
66.17873	0.2
71.01406	0.4
85.03021	0.3
89.02473	0.3
99.20270	0.2
133.02983	0.2
161.02489	1.0
175.00406	0.2
217.05087	0.5
258.56619	0.2
335.21170	0.2
396.36783	0.2
404.38284	0.2
406.71136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
60.01698	0.2
61.98832	100.0
69.74596	1.5
71.01388	0.8
72.99330	0.3
85.02975	0.4
89.02481	0.2
98.19937	0.5
101.02470	0.5
113.02476	0.3
129.05586	0.2
135.04587	0.4
147.06657	0.2
161.02460	1.2
161.04628	0.3
217.05124	0.9
263.07999	0.2
266.00360	0.3
323.09314	0.2
323.57654	0.3
335.20874	0.7
394.59720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1561
Annotation	Mirabegron
Peak:m/z	Relative Intensity
55.01917	0.5
56.54585	0.4
57.03447	2.8
59.01382	12.8
61.98820	1.0
67.01894	0.8
68.99798	1.0
69.03462	0.4
70.42723	0.9
70.43141	1.6
71.01389	12.5
72.22867	0.6
72.99316	3.4
73.02959	1.8
75.00462	0.9
75.00880	13.3
75.01289	0.9
80.13382	0.4
83.01390	1.4
83.05058	0.5
85.02961	17.3
85.06603	7.0
87.00881	5.1
89.02466	2.7
91.04015	1.0
93.90675	0.5
95.01402	4.9
98.20674	0.7
99.00903	7.6
99.08173	17.9
101.02448	0.6
101.09721	1.1
103.00370	1.7
103.04014	0.5
109.02970	0.6
111.00974	0.6
113.02467	17.6
115.00417	1.5
117.01973	1.9
127.07696	1.0
129.01947	0.9
143.07150	1.1
145.08725	70.2
146.09082	2.9
157.01353	0.5
175.02512	2.3
185.65373	0.5
205.07210	1.2
223.08420	0.6
231.05048	1.1
233.04550	0.7
249.06143	15.3
250.06465	0.6
263.85416	0.5
267.07214	3.3
335.13443	0.6
377.14456	2.4
395.15585	100.0
396.15933	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03453	1.9
58.00599	0.7
59.01383	100.0
60.01719	1.3
61.98836	11.4
69.03471	0.9
71.01391	24.9
71.71122	0.9
72.99308	4.6
73.02966	1.8
75.00884	7.4
80.91721	0.9
83.01401	1.0
85.02959	11.7
87.00896	5.1
89.02459	25.2
95.01422	2.8
98.02596	0.6
99.00902	4.3
101.02465	10.8
103.00402	2.0
107.87246	0.6
111.00935	0.9
113.02470	16.6
115.00408	1.3
115.04066	1.0
116.92955	0.9
117.01991	1.2
119.03523	8.2
123.04456	0.5
125.02447	1.1
128.03577	0.9
129.01945	1.2
129.05608	2.7
131.03532	1.9
133.05074	1.0
136.01668	0.7
142.06595	0.7
143.03546	2.3
143.07155	9.0
145.01428	0.9
146.08257	1.1
149.02486	2.3
149.04538	0.8
150.03267	1.7
151.04059	1.5
153.05615	1.5
155.07005	0.5
158.06032	0.5
161.04573	5.5
165.05612	2.5
168.06766	0.6
171.06662	1.0
175.02505	1.7
179.05647	7.9
182.06001	0.7
195.06686	2.1
200.07272	0.8
210.79659	0.6
233.22205	0.6
249.06227	4.8
267.07236	7.5
271.10080	0.5
277.09290	1.1
301.10956	1.4
303.06351	1.4
333.11945	1.0
333.15588	10.2
334.16016	1.3
375.12976	0.8
393.13989	36.0
394.14310	3.6
409.19867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03443	1.8
58.00591	0.8
59.01382	12.3
61.98819	0.2
66.41765	0.2
67.01881	0.6
68.99823	1.0
69.03458	0.6
71.01388	13.9
72.01710	0.3
72.99315	4.0
73.02948	1.3
75.00878	15.4
81.03461	0.3
83.01389	0.6
83.05020	0.2
84.02190	0.2
85.02959	16.1
86.03320	0.3
87.00885	6.3
89.02454	3.2
91.04054	0.2
93.03455	0.4
95.01401	3.8
97.02972	0.4
99.00894	8.0
101.02461	0.4
103.00386	1.7
109.02978	0.4
111.00917	0.6
113.02467	20.2
114.02788	0.6
115.00397	2.0
117.01955	2.2
127.04050	0.2
129.01970	1.4
130.99823	0.3
131.03557	0.4
131.38385	0.2
139.00400	0.2
142.36217	0.2
143.10794	100.0
144.11139	5.2
157.01407	0.9
175.02484	2.6
175.44576	0.2
184.31674	0.2
189.04036	0.5
205.07190	0.7
223.08092	0.2
229.86356	0.3
231.05086	1.7
235.54448	0.2
249.06145	15.8
250.06447	0.9
251.37787	0.2
267.07184	2.2
275.09442	0.3
285.84076	0.2
333.15469	0.7
341.24268	0.2
375.16595	2.5
376.16956	0.3
393.17654	76.0
394.18024	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34493	0.6
55.01879	0.9
57.03436	3.5
58.00583	0.9
59.01382	21.6
61.98830	4.1
67.01885	0.6
68.99831	1.9
69.03460	1.6
70.19006	2.5
71.01387	18.8
71.05020	1.6
72.99308	5.8
73.02946	1.7
75.00879	19.4
83.01405	1.3
83.05046	0.6
85.02959	22.8
86.03289	0.6
87.00886	6.7
89.02464	8.9
90.53366	0.5
91.04014	1.4
93.03498	1.2
95.01390	6.0
96.71503	0.6
98.02465	0.8
98.20503	0.7
99.00899	9.8
99.04521	0.9
99.08162	0.8
101.02462	2.2
103.00386	1.7
108.02274	0.5
109.02960	1.2
111.00880	1.3
113.02470	27.7
114.02779	1.0
115.00395	2.8
117.01951	3.2
119.03487	0.9
121.02948	0.9
125.06131	1.0
129.01953	2.0
130.58896	0.6
131.03569	0.7
133.05083	0.8
136.01656	0.9
143.07162	29.8
144.07549	1.4
146.08258	2.6
149.02484	2.4
150.03214	1.6
151.04010	1.9
153.05609	1.3
157.01462	1.2
161.04498	0.7
165.05592	1.6
175.02518	2.5
179.35670	0.6
189.04172	0.9
195.06715	1.1
205.07033	1.0
231.05032	3.3
249.06161	29.8
250.06511	1.8
267.07193	12.2
268.07550	0.7
277.09348	1.3
286.08432	1.2
301.10873	2.2
358.10349	0.9
375.13031	2.4
393.14050	100.0
394.14325	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	393.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03437	2.1
58.00592	0.8
59.01085	1.3
59.01381	22.1
61.98829	4.1
67.01890	0.9
68.99830	2.1
69.03473	0.6
70.42842	1.5
70.43236	1.2
71.01392	16.5
72.99316	4.7
73.02946	2.5
75.00879	17.3
81.03470	0.7
83.01416	1.4
85.02962	20.6
87.00882	6.5
89.02438	5.4
93.03484	1.5
95.01407	4.8
98.04372	0.7
98.19961	0.9
99.00896	9.1
99.08176	3.8
101.02454	1.8
103.00376	2.4
105.36498	0.7
111.00914	1.1
113.02472	21.9
114.02822	0.8
115.00412	2.1
117.01962	3.2
125.02547	0.9
129.01962	0.8
142.06619	1.5
143.07161	50.9
144.07446	1.2
150.03279	0.8
172.07687	0.7
175.02533	1.9
182.06160	1.4
195.06615	1.5
197.04672	1.0
200.07242	1.5
205.07281	0.8
214.05258	0.8
231.05022	2.6
244.06151	0.9
249.06146	27.4
250.06549	1.7
267.07242	9.8
268.07394	0.8
303.06189	1.0
333.12100	1.1
333.15872	0.8
375.12897	1.9
393.14035	100.0
394.14337	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	392.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.2
59.01381	4.7
60.01711	0.3
61.98833	100.0
69.41267	0.5
69.41673	1.9
71.01393	0.7
72.99310	0.3
73.02950	0.2
75.00886	0.3
85.02999	0.3
87.00875	0.3
89.02442	0.3
96.96049	0.3
101.02454	0.4
113.02477	0.2
119.05045	0.3
121.35979	0.2
126.82350	0.2
133.02910	0.2
142.06674	0.5
143.10831	1.2
145.03012	0.3
163.03944	0.4
178.63638	0.2
186.05727	0.2
202.01447	0.2
249.06172	0.3
275.09219	0.5
393.18039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.4
61.98835	100.0
68.70342	0.3
70.62250	0.6
70.62638	0.9
71.01395	0.4
78.90851	0.3
84.39654	0.3
90.39626	0.4
113.02499	0.3
122.01063	0.3
132.44568	0.3
171.14050	0.6
171.38052	0.3
191.29433	0.3
214.85562	0.4
257.54068	0.3
294.87842	0.3
392.17477	0.3
393.28195	0.4
415.84811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91995	0.4
55.01880	1.2
57.03445	0.9
59.01379	100.0
60.01723	1.7
61.98834	4.8
69.03459	1.9
70.00059	2.8
71.01387	20.9
72.01746	0.8
72.99333	0.9
73.02952	5.9
75.00864	1.1
83.00969	0.4
83.01376	2.2
85.02450	0.6
85.02961	10.1
87.00918	1.1
87.36875	0.4
88.98804	0.5
89.02449	3.6
91.20321	0.4
95.01413	1.5
97.02987	1.3
99.00891	3.5
101.02456	12.3
102.02844	0.5
108.02180	1.2
109.02972	3.2
112.79247	0.4
113.02460	10.3
113.06085	0.5
115.04053	1.2
119.03513	0.5
121.02965	0.5
123.00897	8.8
123.04597	0.7
124.01687	9.3
125.02470	16.1
126.02867	0.9
133.05081	0.9
137.02502	0.5
138.03249	8.2
139.04041	10.0
142.71736	0.4
143.03529	1.8
143.07219	1.2
149.02457	0.7
150.03279	0.7
151.04036	1.1
153.05649	0.5
159.02983	3.5
161.04573	35.7
162.04939	1.1
165.05580	0.8
166.02715	0.6
181.05099	1.3
182.06110	0.6
193.05064	0.9
195.06702	1.0
205.03578	1.1
227.10953	0.5
233.10506	0.7
242.65536	0.6
249.06093	0.5
269.06696	2.6
277.09204	2.8
301.09219	4.1
302.89047	0.5
393.14233	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	392.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88525	1.0
59.01382	36.7
60.01706	1.5
61.98833	6.4
71.01383	4.9
71.72363	1.9
72.99314	43.5
75.00883	7.3
85.02953	1.6
86.62561	1.0
87.00901	2.2
90.24026	0.9
90.66769	1.0
99.04539	5.6
101.02464	3.6
105.01955	86.1
106.02303	2.1
106.37983	1.0
113.02503	1.3
114.05609	0.9
115.04021	1.9
116.05090	7.3
125.02462	25.0
126.02778	1.2
130.06642	7.3
133.01361	1.4
142.06645	100.0
143.03514	2.4
143.06993	5.0
144.04561	1.3
144.08211	31.8
145.08542	2.3
153.05884	1.9
154.06639	23.2
155.07047	1.5
156.08206	10.0
157.05365	2.6
158.06148	8.1
161.02438	1.4
161.04634	1.6
166.06633	5.3
168.04597	2.0
168.08235	2.8
170.06128	12.1
170.09749	1.4
172.04076	1.6
172.07697	17.0
178.06635	1.4
181.05345	7.5
182.06131	54.6
183.06506	2.9
184.04128	1.1
184.07712	8.8
186.05624	51.1
187.02475	15.1
187.06006	2.4
188.07144	3.0
194.06166	3.3
196.07672	6.1
197.04826	6.4
198.05615	35.6
198.09274	5.5
199.05949	2.5
200.07193	41.5
201.07588	3.2
202.05099	1.4
204.06648	12.3
205.07045	2.1
208.07715	3.0
210.05598	12.5
211.06181	1.6
212.03558	1.3
212.07179	7.0
214.05042	1.6
214.08690	1.6
216.06660	7.3
222.05524	1.7
223.06332	1.3
224.07065	3.1
226.05199	2.5
226.08720	5.4
228.06699	14.3
230.04576	21.6
240.06677	15.0
241.06992	1.5
242.04692	2.5
242.08246	3.2
244.06133	15.0
245.06516	1.2
248.05640	4.9
252.06696	4.5
258.07718	7.0
260.05521	1.6
262.07193	2.9
268.06155	1.3
270.07693	2.1
272.05664	9.7
284.05655	4.8
288.08752	5.5
290.06693	16.7
291.06952	1.3
296.05576	1.6
300.08740	4.5
302.06729	15.2
304.08218	13.5
306.16083	1.2
314.06714	3.0
330.09775	1.8
332.07730	9.1
332.17892	2.1
333.08026	1.5
374.08710	2.1
392.09830	5.9
419.84079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80264	0.2
56.41054	0.4
59.01388	1.5
60.88868	0.3
61.98834	100.0
65.09084	0.3
68.27249	0.3
70.06200	1.4
77.73912	0.3
82.57681	0.3
98.19922	0.4
114.62111	0.3
118.97105	0.3
154.84984	0.3
158.06137	0.4
220.06227	0.5
232.92383	0.3
277.18195	0.3
321.30768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
59.01381	18.8
61.98834	100.0
65.90798	0.3
71.01035	0.5
71.01391	4.7
71.71004	0.3
71.71381	0.4
72.99313	0.8
73.02960	1.3
75.00884	1.2
83.01408	0.5
83.05008	0.3
85.02959	2.0
87.00883	0.3
89.02462	2.5
90.98598	0.6
95.01425	0.8
99.00932	0.8
99.25946	0.3
101.02439	2.4
105.80782	0.3
107.05060	0.3
109.02962	0.6
111.00909	0.5
113.02484	2.5
115.04055	0.4
119.03548	0.8
123.00914	1.0
123.04546	0.5
124.01708	1.1
125.02470	2.6
125.05196	0.3
125.06098	0.4
133.05135	0.4
134.74152	0.3
138.03241	0.7
139.04073	1.4
143.03584	0.4
143.07178	0.8
149.02477	0.4
150.03226	0.6
151.04057	0.8
153.02025	0.3
153.05597	0.5
161.04570	5.3
165.05603	0.7
166.02727	0.3
167.03531	0.5
175.02586	0.4
179.05737	0.4
181.05315	0.4
267.07141	0.4
269.06815	0.4
277.09375	1.0
361.23709	0.3
366.81403	0.3
392.16525	1.3
393.14230	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	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.8
60.01750	0.3
60.11536	0.3
61.98833	100.0
65.13913	0.3
65.15800	0.3
71.01402	1.2
71.71357	0.3
72.99325	1.9
79.93965	1.9
80.23246	0.3
81.03495	0.6
83.01413	0.6
85.03028	0.3
87.00900	0.3
89.02485	0.5
95.05061	0.3
99.04531	0.5
101.02496	0.7
101.92454	0.3
105.01949	2.7
116.05056	0.4
117.90642	0.4
119.03545	0.4
121.02918	0.4
123.04539	7.0
123.05359	0.5
124.04863	0.3
125.02452	2.4
130.08728	0.3
134.03827	0.4
137.02483	0.3
142.06631	3.7
144.08238	1.2
149.02480	0.5
154.06659	0.8
154.08743	0.9
156.08220	0.5
161.04646	0.4
163.04044	0.5
165.05565	0.4
167.03519	30.4
167.98904	0.3
168.03819	1.5
170.06168	0.5
171.10289	0.6
172.07759	0.9
181.05188	0.8
182.06175	1.9
184.07727	0.6
186.05664	1.8
187.02544	0.7
191.03522	8.5
193.05090	0.8
194.47772	0.3
198.05696	1.2
200.07259	1.2
204.06683	0.7
209.04593	2.8
210.05481	0.4
221.04634	0.8
226.05052	0.4
228.06825	0.5
230.04504	0.4
236.06519	0.5
240.06822	0.5
244.06172	0.4
265.07147	0.4
269.06760	0.4
270.07971	0.3
272.05481	0.3
290.06808	0.5
295.08530	0.4
302.06885	0.6
304.08490	0.4
314.11139	0.6
329.08786	16.9
330.09152	1.4
332.07935	0.4
344.12268	0.5
350.11093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03444	0.6
58.00594	0.4
59.01382	100.0
60.01730	1.1
61.98834	8.5
64.48432	0.4
69.74760	3.0
71.01390	19.5
72.99313	1.4
73.02959	5.1
75.00879	0.4
83.01400	1.7
85.02959	6.2
87.00893	1.2
89.02456	12.7
89.02991	0.7
93.03484	0.6
95.01397	0.9
97.02952	0.5
97.58472	0.3
98.19807	0.3
99.00900	1.7
100.92581	0.4
101.02461	14.0
102.02810	0.5
105.10004	0.3
111.00907	0.4
113.02472	8.9
115.00368	0.4
115.92084	0.5
116.92891	1.3
119.03540	4.9
119.05007	2.4
123.04603	0.4
125.02476	0.6
127.07636	1.5
133.01463	1.2
141.09227	0.7
143.03534	2.0
149.04619	0.7
159.03035	1.1
161.02531	0.5
161.04581	12.6
162.04883	0.6
163.04082	0.7
176.03497	0.4
179.03427	0.4
179.05688	1.9
199.20657	0.4
219.58998	0.4
229.14522	0.6
248.40350	0.4
331.17633	48.7
332.17978	5.6
391.15268	0.8
391.20041	2.5
392.20273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
55.92596	0.2
57.03443	0.5
59.01381	100.0
60.01714	1.7
61.98835	3.2
70.73965	0.7
71.01388	6.0
72.99312	0.3
73.02935	1.4
75.91739	0.2
77.38884	0.2
83.00965	0.2
83.01360	1.0
85.02959	2.8
87.00893	0.3
89.02465	2.1
95.01392	0.4
99.00896	0.8
99.92579	0.2
101.02457	4.6
101.03086	0.3
113.02453	2.6
115.00417	0.3
116.92904	0.6
117.92896	0.4
119.03545	0.6
119.05067	0.9
125.02480	0.4
126.47086	0.3
133.01503	0.6
142.06706	0.3
143.03482	0.3
159.03052	0.6
161.04591	4.0
163.04044	0.5
179.05638	0.4
193.19301	0.2
205.03749	0.2
229.05133	0.4
229.18039	0.3
246.07817	0.2
331.17630	3.5
331.21228	0.4
332.18045	0.3
335.21472	0.2
391.19644	0.4
391.23651	2.2
391.27731	0.2
392.23727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06068	0.3
57.03450	0.3
59.01382	100.0
60.01723	1.4
61.98833	1.4
69.66311	0.9
69.66739	1.5
70.82343	0.3
71.01389	7.3
72.99318	2.6
73.02956	2.4
75.00874	0.6
80.06448	0.3
83.01393	0.9
85.02959	3.0
87.00900	0.6
89.02466	1.6
95.01410	0.7
99.00894	0.9
99.04555	0.6
101.02462	6.2
105.01954	5.9
111.00916	0.4
113.02466	2.8
115.92111	0.7
116.05105	0.6
116.92908	1.0
117.92895	0.7
119.03516	0.7
125.02464	2.9
130.06671	0.5
142.06638	6.5
143.03546	0.9
143.64503	0.3
144.08205	2.0
147.04559	0.4
148.79877	0.3
150.03358	0.4
153.05913	0.3
154.06685	1.4
156.08160	0.3
158.06123	0.6
159.03062	0.9
161.02512	0.5
161.04579	5.7
165.05583	0.7
170.06152	0.9
172.07707	1.5
181.05403	0.5
182.06136	3.1
184.07741	1.0
186.05614	3.4
187.02467	1.6
196.07680	0.4
197.04897	0.3
198.05603	2.4
200.07167	3.3
204.06653	1.1
210.03851	0.4
210.05681	1.2
212.07181	0.4
216.06667	0.7
226.05168	0.4
226.08815	0.6
228.06712	0.9
230.04616	1.4
240.06677	1.0
242.04630	0.3
244.06192	0.9
258.07794	0.4
270.07831	0.4
272.05670	1.0
277.12241	0.3
290.06812	1.0
300.08679	0.4
302.06775	1.0
304.08334	1.1
331.17630	14.4
332.07916	0.8
332.17950	2.0
357.79041	0.3
391.19769	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67570	0.3
55.01881	0.4
56.14684	0.2
59.01382	100.0
59.08911	0.2
60.01717	1.4
67.05504	0.3
69.45614	0.6
69.46020	2.6
71.01389	6.4
71.69814	0.3
72.99317	0.4
73.02946	2.3
75.00863	0.3
79.10120	0.3
80.33006	0.2
83.01411	0.7
85.02966	2.9
87.00917	0.4
89.02456	1.9
95.01419	0.5
97.02972	0.3
98.20682	0.6
99.00903	0.8
99.92590	2.5
100.92595	1.5
101.02455	5.2
101.03086	0.4
101.26270	0.3
104.00413	0.3
106.06663	0.5
113.02465	3.9
115.92093	2.2
116.92121	1.3
116.92875	8.5
117.92048	0.2
117.92894	6.6
117.93739	0.4
118.92738	1.2
119.03554	0.5
125.02450	0.5
143.03554	0.7
150.05606	0.5
151.57674	0.3
158.93959	0.9
159.03087	0.8
159.94044	1.2
161.04585	7.8
164.07198	0.3
170.13042	0.3
172.50839	0.3
179.04071	0.2
179.05661	0.5
184.91782	0.3
185.91940	0.5
187.02583	0.3
194.04640	0.4
203.93007	0.3
204.06635	0.4
207.30013	0.2
214.03857	0.3
322.16428	0.3
331.17657	11.2
332.18094	1.3
344.05740	0.3
347.01178	0.3
356.10040	0.3
390.99631	0.9
391.20059	1.4
392.19894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97939	0.3
59.01380	100.0
60.01716	1.2
65.00330	0.3
69.74646	2.2
71.01389	3.8
71.01759	0.3
72.99315	0.8
73.02956	1.0
78.95903	0.5
83.01414	0.9
85.02956	1.8
87.00908	0.5
89.02454	3.1
99.00912	0.9
99.04553	0.6
101.02458	3.9
105.01955	0.7
113.02479	2.1
115.20696	0.3
116.05058	0.4
116.92854	0.5
119.03548	1.3
125.02461	4.4
130.06499	0.3
134.04779	1.3
137.02498	0.4
142.06665	1.0
143.03535	1.0
145.02959	0.8
150.03195	0.5
151.00418	1.3
151.04022	0.5
158.06244	0.3
161.02539	0.6
161.04579	3.5
179.03630	0.3
179.05695	0.7
185.06079	0.6
186.05644	0.5
187.02470	2.1
195.06725	0.4
198.05688	0.4
204.06689	2.6
228.07776	0.7
229.05075	5.2
229.07198	0.5
230.05466	0.7
244.07195	0.4
249.06323	0.4
257.06729	0.3
258.98087	0.3
271.08374	2.5
315.09702	0.4
331.17639	8.6
332.18024	0.9
363.12183	0.6
391.12927	2.9
391.20203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.84992	0.2
57.03452	2.4
58.00594	0.8
59.01383	19.3
60.01721	0.2
61.70332	0.2
61.98840	0.2
67.01893	1.1
68.99831	1.3
69.03458	0.8
69.46374	2.0
71.01389	17.3
72.01758	0.2
72.99312	5.9
73.02956	2.0
75.00881	20.4
76.01229	0.3
81.03479	0.5
83.01389	1.2
83.05041	0.4
84.02184	0.3
85.02962	20.9
86.03303	0.4
87.00885	7.7
89.02464	4.3
91.04038	0.4
93.03491	0.6
95.00799	0.4
95.01400	5.8
97.02969	0.2
99.00901	10.1
100.01216	0.3
101.02480	0.7
103.00382	2.2
109.02969	0.4
111.00901	1.1
112.01759	0.2
113.02470	24.7
114.02798	0.7
115.00383	1.9
115.04076	0.2
117.01957	3.3
119.05080	0.5
121.02997	0.2
121.41310	0.2
123.08167	0.8
125.02436	0.3
129.01961	1.8
130.99905	0.2
131.03496	0.3
132.72066	0.2
139.00349	0.5
141.09242	100.0
142.09570	4.9
145.03009	0.2
157.01430	0.8
161.04541	0.2
163.03963	0.3
169.79305	0.2
175.02516	3.1
176.60291	0.2
176.94893	0.2
187.04091	0.4
188.48300	0.2
189.03925	0.5
205.07149	0.7
219.04662	0.2
223.08128	0.3
231.02884	0.3
231.05072	2.8
249.06154	22.1
250.06522	1.3
251.06287	0.3
267.07199	4.1
268.07367	0.2
331.13968	0.9
373.15045	2.9
374.15369	0.3
391.16116	84.6
392.16449	9.5
392.21622	0.3
401.48401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.1
57.03448	5.0
58.00583	1.2
59.01379	33.6
61.98819	1.9
67.01894	1.3
68.99813	1.6
69.03452	1.6
69.62515	1.5
69.62937	2.8
71.01387	33.1
72.99312	8.1
73.02953	2.7
75.00880	31.1
75.01237	0.5
81.03460	1.1
83.01393	2.0
83.05016	1.0
84.02169	1.0
85.02959	34.9
86.03309	1.2
87.00380	0.9
87.00885	13.0
88.77815	0.5
89.02454	9.3
91.04011	1.2
93.03461	1.3
95.01398	8.9
97.02958	0.6
99.00892	17.7
101.02451	1.9
102.05645	0.5
103.00394	3.9
106.32377	0.5
109.02978	0.8
111.00876	2.0
111.04548	0.5
113.02465	48.1
114.02801	1.3
115.00381	3.8
117.01957	4.6
123.08178	2.2
127.04005	0.9
129.01958	2.9
129.52005	0.5
131.03519	1.5
134.03760	0.7
139.00420	0.6
141.09238	41.7
142.09554	1.8
149.04445	0.6
157.01439	0.9
161.04570	0.8
175.02502	3.4
189.04054	0.8
205.07147	4.1
207.05153	0.9
223.08267	1.1
231.05096	3.5
245.93970	0.6
249.06148	42.5
250.06424	2.6
267.07202	77.5
268.07565	4.3
275.09247	0.9
331.14017	1.0
373.15134	1.9
391.16110	100.0
392.16434	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	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00973	0.4
55.01882	0.8
57.03452	3.3
58.00605	0.5
59.01381	32.7
60.01697	0.4
61.98839	0.5
66.80504	0.4
67.01880	0.7
68.99824	1.0
69.03450	0.5
69.47196	0.4
69.70158	3.3
71.01389	25.2
72.01723	0.5
72.99316	5.7
73.02948	2.5
75.00883	20.5
83.01400	1.2
84.02174	0.6
85.02961	25.4
86.03316	0.5
87.00885	9.8
89.02455	10.0
95.01401	5.5
98.19900	0.8
99.00893	12.6
101.02470	3.2
103.00388	3.1
111.00916	1.0
112.01676	0.5
113.02470	36.9
114.02808	1.3
115.00425	2.3
117.01941	3.5
117.92955	0.4
119.03534	1.8
123.08195	1.0
129.01996	2.9
131.03542	0.9
134.52954	0.4
141.09241	88.0
142.09589	4.0
149.04572	0.8
151.14128	0.4
157.01436	1.5
161.04590	1.0
173.04507	0.4
175.02504	4.7
179.05615	0.5
185.99225	0.4
189.32991	0.4
193.03560	1.0
205.07182	2.6
223.08295	1.2
231.05112	1.3
249.06146	10.3
249.08728	0.5
250.06277	0.6
267.07208	8.5
331.14108	0.7
373.14941	3.0
374.15500	0.7
391.16119	100.0
392.16428	11.7
404.85324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
56.48762	0.8
57.03437	2.3
58.00589	1.0
59.01381	65.6
61.98836	18.7
66.53197	0.8
67.19981	0.8
70.55569	0.7
71.01387	27.4
71.04999	0.9
71.72252	1.4
72.01729	1.5
72.99307	5.7
73.02958	6.8
75.00884	2.7
80.78473	0.8
83.01374	2.7
85.02958	9.2
85.27751	0.8
87.00887	2.7
89.02456	16.3
95.01415	2.1
95.05021	0.8
99.00880	4.1
99.04527	1.5
99.87846	0.7
101.02461	16.8
102.02789	1.0
105.01949	6.6
108.02148	1.1
109.02958	1.2
111.00891	1.6
113.02464	14.1
115.04044	4.1
116.05148	1.4
116.92886	0.8
117.03486	1.4
119.03536	5.8
121.02983	1.0
123.04583	1.0
125.02476	7.9
130.06653	1.1
130.08778	0.9
132.02187	9.8
133.02989	1.1
134.03761	35.2
135.04106	1.4
136.01654	1.2
137.02473	1.4
142.06636	8.4
143.03494	1.3
144.08192	1.8
147.04491	2.4
148.05327	1.5
149.06105	6.3
150.03220	1.6
151.03925	1.1
154.06650	1.9
154.08727	1.0
155.10791	1.3
156.08229	1.2
156.11179	1.3
159.10291	1.0
160.01686	58.9
160.03990	4.5
161.02032	3.6
161.04529	5.9
163.03983	1.5
164.04771	1.7
165.05519	1.0
169.08742	2.1
170.06166	1.0
172.07704	1.3
175.04022	100.0
176.04593	9.2
177.01888	1.3
177.05426	1.3
178.02702	2.3
179.03575	0.9
179.05612	1.6
181.05264	1.2
182.06091	3.8
184.07687	0.9
186.05626	4.6
187.02480	2.3
187.13368	1.0
191.07166	10.2
192.04303	1.4
193.05081	54.9
194.05391	3.7
198.05629	3.3
200.07156	3.7
201.06606	1.8
204.06641	2.0
207.06671	7.8
208.07300	1.0
210.05669	1.1
212.07196	1.5
216.06897	1.0
216.08887	3.1
217.05090	7.6
219.05232	1.3
228.06668	2.1
228.16858	1.7
229.10770	1.8
229.17215	1.0
230.04636	2.1
233.10228	1.3
235.06126	29.3
236.06468	2.7
240.06435	1.2
244.06102	1.1
244.08351	2.7
252.06850	1.0
265.07153	18.6
266.07651	1.4
277.09280	8.0
282.09137	1.0
295.08298	26.7
296.08615	2.3
297.08661	1.2
302.06711	1.7
313.10730	1.1
329.11383	0.9
331.17624	3.9
341.11328	1.2
343.11874	4.9
347.17090	1.1
349.18860	5.1
355.10364	44.3
356.10654	5.3
361.13058	1.6
373.13504	2.7
391.15295	5.0
391.20032	2.6
392.10449	0.9
392.19437	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.9
60.01730	0.3
61.98833	100.0
66.36264	0.3
70.91236	0.8
76.42965	0.3
82.05949	0.2
98.82793	0.3
117.82920	0.3
145.33508	0.2
167.10808	1.2
168.11127	0.6
231.86681	0.3
339.92093	0.3
353.90631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
61.98831	100.0
64.42811	0.2
69.98804	0.5
69.99218	0.8
71.25829	0.2
72.99332	0.5
77.07097	0.2
85.02978	0.3
89.02480	0.3
115.92136	0.3
116.92899	0.5
168.97800	0.2
185.21210	0.2
185.72394	0.2
190.91885	0.2
232.55302	0.2
386.24045	0.2
391.21426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.6
60.00794	1.2
61.98833	100.0
70.98360	2.8
73.06496	1.3
85.98106	1.3
94.44943	1.5
106.17191	1.2
116.92860	3.3
149.02252	1.2
238.02582	1.3
266.98581	1.5
391.21140	3.0
412.23074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22324	1.2
56.82187	1.1
67.01901	2.8
69.46244	10.4
69.46644	1.9
78.57597	0.9
85.02972	2.8
87.00903	2.2
102.73338	1.0
111.00896	94.6
112.01241	3.8
117.01958	1.3
129.01955	1.6
136.98833	1.6
165.87292	1.1
166.97537	59.1
192.95457	6.5
210.96513	100.0
211.96933	3.0
271.16824	1.0
348.03348	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	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55568	3.3
56.79498	3.9
59.01385	43.7
60.53255	3.7
60.73172	3.7
61.98835	18.3
66.19070	3.1
70.62260	6.9
70.62671	12.6
71.11259	3.5
80.96517	4.8
99.92617	4.9
101.63869	3.8
115.92156	4.7
116.92881	18.1
121.03040	5.2
125.06113	100.0
126.06436	5.3
160.08713	4.2
168.50458	4.1
169.04506	3.5
174.56113	4.6
178.73863	3.5
203.00458	4.3
303.19696	6.8
345.20731	6.8
389.19513	61.8
390.19797	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	390.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99273	0.6
55.01859	0.8
56.98036	16.8
57.03444	1.5
58.00589	3.3
58.99606	43.8
59.01381	78.7
60.01697	0.9
61.98829	8.1
66.03492	11.8
67.01892	1.1
68.05048	4.4
68.99818	1.6
71.01389	48.1
71.64570	0.7
71.71938	1.0
72.01736	2.0
72.99312	5.3
73.02954	5.1
74.03269	0.7
75.00893	0.9
83.01375	3.7
85.02963	12.7
86.03307	1.1
87.00883	4.9
89.02456	51.0
90.02765	1.5
92.05070	1.1
94.02996	27.0
95.01414	3.8
95.03378	1.2
99.00898	6.4
101.02459	29.5
102.02806	3.1
108.04589	8.7
109.02972	1.9
110.02483	5.9
111.00918	1.4
112.04064	6.6
113.02467	22.7
114.02810	1.6
117.85136	0.7
119.03511	17.4
121.02964	0.9
122.06235	0.8
123.20912	0.9
124.04049	1.6
125.02454	1.0
128.03531	1.1
131.03546	2.3
132.04573	4.5
134.06126	0.8
135.04427	0.8
136.04073	5.4
137.02475	5.9
138.02844	2.9
140.05431	21.0
140.07082	1.0
141.05708	0.7
142.06630	1.3
143.03561	5.3
148.02310	1.3
149.02478	1.6
149.04514	1.8
149.06146	1.1
151.04071	0.9
152.04781	2.7
152.07201	0.7
153.01895	0.8
153.05215	2.0
154.05110	1.7
159.03020	0.8
161.04582	8.0
162.04866	1.2
164.07233	0.9
165.05580	2.3
166.03340	100.0
167.03677	5.4
179.05632	21.2
180.06020	1.1
182.06113	0.8
184.04440	8.9
192.06705	0.8
193.05148	1.0
207.71977	0.7
209.08220	1.2
210.05565	2.2
210.08549	1.0
212.06949	2.1
213.07291	3.5
220.34618	0.8
225.07639	1.0
226.05418	2.9
227.05716	1.1
227.09308	7.4
228.03336	1.3
228.09651	9.6
228.83981	0.7
229.09798	0.8
266.58191	0.8
274.09314	1.4
300.05161	0.7
308.59882	0.9
331.17581	1.9
346.09650	1.6
355.10394	0.8
390.08661	44.2
390.14722	18.5
391.08838	6.4
391.15973	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03452	0.6
58.00592	0.4
58.54840	0.2
59.01385	6.8
61.98841	1.2
64.83180	0.2
69.03477	0.3
69.44398	0.7
69.44810	1.9
69.53902	0.2
71.01386	3.8
72.99317	0.6
73.02957	0.7
75.00883	0.8
83.01406	0.4
85.02963	2.1
89.02466	3.0
95.01387	0.6
97.06609	0.5
98.19881	0.5
99.00896	0.3
101.02452	2.7
111.08200	1.2
113.02474	3.7
116.92870	0.2
119.03521	0.9
139.07703	1.3
161.04570	0.8
163.11374	0.2
165.12871	22.1
166.13174	1.1
167.14485	0.4
179.05617	0.7
181.12419	0.5
183.13922	71.6
184.14267	5.1
191.10825	0.5
195.13919	0.5
197.15488	2.3
206.81229	0.3
207.13928	1.6
209.11864	2.5
225.14919	1.6
227.12904	100.0
228.13228	7.6
249.06223	0.6
251.12907	3.1
252.13359	0.4
267.07251	0.7
269.13965	1.8
281.13663	0.3
293.14050	0.6
301.18771	0.3
329.16092	1.1
347.24435	0.9
353.16293	0.3
360.39084	0.2
389.14325	0.5
389.18338	3.3
389.25452	0.8
390.18692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2183
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
54.40901	0.3
55.01881	4.4
57.03448	5.6
58.00599	3.5
59.01379	66.2
60.01713	1.1
60.69994	0.3
61.98830	4.8
67.01912	0.4
69.03459	1.3
70.73570	0.7
70.73949	0.4
71.01386	100.0
71.04630	0.3
71.05022	8.2
72.01722	1.6
72.99313	4.1
73.02952	20.1
74.03300	0.5
75.00883	1.6
79.95769	1.2
80.96539	1.0
81.03467	0.8
83.01391	8.8
83.01876	0.6
83.05052	0.5
84.02203	0.4
85.02957	35.3
86.03298	0.8
87.00883	4.6
88.98836	1.1
89.02452	50.7
90.02821	0.9
95.01405	7.0
95.05042	1.2
97.02972	2.6
98.03754	3.1
99.00898	9.7
101.02455	62.2
102.02808	1.1
109.02982	0.4
109.06595	2.9
111.00909	0.9
111.08171	0.4
112.05370	0.3
113.02464	44.4
113.06069	0.4
114.02815	1.2
115.92163	0.4
116.92905	0.4
119.03518	18.3
120.03915	0.4
121.02982	0.4
121.06589	0.5
122.03749	0.3
123.08190	1.9
124.05325	2.7
125.02452	2.3
125.06126	0.5
127.07671	8.1
129.01952	1.4
129.05606	1.4
131.03555	2.1
134.03748	0.7
136.17407	0.3
136.99196	0.4
137.02493	0.4
137.06071	0.4
137.09744	4.7
138.06895	2.6
138.10104	0.5
139.00343	0.3
139.07666	12.1
140.08009	0.6
141.09247	3.9
143.03525	6.5
149.02502	0.4
149.04605	1.9
149.05974	0.3
150.03270	1.3
151.07672	0.6
153.09232	11.2
154.09615	0.4
155.10797	37.0
156.11147	2.3
157.08739	0.8
159.03000	7.8
161.04573	45.8
162.04910	1.6
164.98685	0.6
165.05609	1.2
165.12888	0.3
167.03505	0.4
178.02655	0.4
179.05609	6.3
193.05070	1.0
197.04463	0.5
199.09767	0.6
205.03503	1.7
209.11858	0.4
209.15475	3.3
225.14865	0.3
227.16528	55.4
228.16864	4.6
267.07242	0.8
327.10974	0.4
341.10382	0.4
349.09592	0.3
389.17984	0.9
389.21896	14.0
390.22296	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	389.1458
Annotation	Glu-Gly-Trp
Peak:m/z	Relative Intensity
55.01874	1.0
57.03453	3.4
58.00596	1.1
58.45378	0.4
59.01382	38.9
61.05449	0.5
61.98833	0.6
67.01888	1.5
67.05540	1.0
68.99818	2.6
69.03461	1.7
69.42538	3.3
69.42953	1.4
71.01390	24.4
72.99314	8.1
73.02950	1.8
75.00880	28.2
80.46610	0.4
81.03477	0.9
83.01403	1.3
83.05051	0.5
83.57324	0.4
84.02193	0.6
85.02962	30.0
86.03327	0.9
87.00884	9.1
87.01357	0.8
89.02458	6.9
90.72179	0.4
91.04052	0.5
93.03474	0.8
93.07108	1.2
95.01415	8.4
96.01790	0.5
97.02962	0.6
99.00900	14.9
101.02480	0.9
103.00368	2.9
111.00906	1.1
111.04533	0.7
113.02469	36.3
114.02799	1.2
115.00406	1.9
116.92905	1.5
117.01942	4.4
129.01999	3.2
131.03532	0.8
139.07675	64.7
140.08005	3.1
143.22186	0.4
157.01485	1.3
167.94008	0.5
172.06380	0.5
175.02510	4.2
175.03865	0.6
189.04079	0.8
205.07140	1.1
223.08215	0.6
231.05110	5.9
249.06149	38.5
250.06448	2.8
267.07239	9.3
268.07547	0.6
329.12466	1.5
371.13501	3.4
372.13968	0.6
389.14560	100.0
390.14932	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89314	0.2
59.01381	100.0
60.01722	1.4
61.98833	17.4
67.98836	0.3
69.77132	1.9
71.01398	1.2
72.99336	0.3
75.04527	0.3
85.02968	0.7
88.23318	0.3
89.02464	1.1
95.01383	0.5
99.04512	0.5
99.89674	0.3
101.02445	1.6
105.20547	0.3
113.02493	1.7
119.03568	0.5
123.68552	0.3
143.03622	0.3
152.03632	0.3
159.02989	0.3
161.04561	1.7
167.10799	41.3
168.11140	2.3
191.10719	0.6
209.11969	0.5
329.15973	0.4
351.12607	0.3
358.40598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01873	4.4
55.06669	0.9
56.98027	3.7
57.03452	3.0
58.00579	1.5
58.99610	9.6
59.01381	64.0
61.86046	1.0
61.98838	19.9
66.03508	6.1
68.99818	1.8
69.52272	2.5
69.52698	7.0
71.01389	58.2
72.01734	1.3
72.99316	4.2
73.02955	13.8
73.04105	1.0
75.00867	2.1
79.95773	1.2
81.03476	1.2
83.01398	8.0
85.02966	26.6
86.03294	1.2
87.00873	6.5
89.01906	1.9
89.02454	31.2
90.25912	0.9
91.08595	1.0
93.03488	1.3
94.02988	6.4
95.01421	5.1
95.70885	0.8
97.02927	1.1
99.00903	7.3
101.02460	44.2
107.43587	1.0
108.04577	1.5
109.02969	4.0
110.02493	9.3
111.00939	1.4
111.04506	1.2
112.04060	1.1
113.02471	24.1
116.07195	1.7
119.03520	13.1
121.02931	2.0
125.02473	2.3
125.06062	1.5
131.03508	3.3
132.04524	1.5
134.03757	2.2
136.04124	1.3
137.02467	47.7
137.93704	1.0
138.03270	2.7
140.05450	5.2
143.03535	2.3
147.30890	0.9
149.06151	1.3
150.03244	2.7
150.66682	1.1
151.03978	1.5
152.03642	1.1
152.04816	25.0
153.05528	3.7
159.02995	2.0
161.04582	11.4
165.05582	3.5
166.03372	26.5
166.05934	1.4
167.03456	1.9
167.07162	4.2
172.49399	0.9
179.03563	6.8
179.05646	7.7
184.03754	6.9
193.05064	3.9
194.05925	6.3
197.04564	2.9
209.04561	4.7
209.08202	13.2
212.06929	35.5
213.07224	2.3
215.12611	1.0
221.06659	2.3
225.07697	2.0
226.08063	1.0
227.05630	3.8
227.09276	100.0
228.09633	5.9
255.89488	1.1
373.90393	1.0
389.14539	95.6
389.18335	3.8
390.08658	10.8
390.14783	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	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03452	3.1
58.00591	0.6
59.01380	18.7
60.76188	0.3
61.98832	1.7
67.01888	0.5
68.99819	1.2
69.03463	1.9
70.47683	1.3
71.01388	21.1
71.05022	1.1
72.01724	0.5
72.99314	4.2
73.02949	1.1
75.00881	15.6
80.02681	0.3
81.03497	0.3
83.01396	0.8
83.05029	0.4
84.02189	0.5
85.02961	22.5
86.03297	0.4
87.00886	8.8
89.02456	6.6
91.03977	0.8
93.03451	0.8
93.07123	0.6
95.01402	5.9
96.35047	0.3
99.00893	8.2
99.04521	0.3
101.02446	0.8
102.98628	0.4
103.00382	2.5
111.00883	0.6
112.01670	0.9
113.02468	30.7
114.02808	0.6
115.00409	1.9
115.92123	0.4
116.92858	0.5
117.01965	3.2
119.03352	0.3
121.06596	1.5
127.03987	0.5
128.32701	0.3
129.01964	2.3
131.03516	0.7
135.04567	0.4
139.00371	0.5
139.07680	9.1
140.08002	0.5
149.04543	0.9
157.01433	0.7
175.02496	2.4
175.53661	0.3
205.07118	0.7
207.05087	1.2
217.44244	0.3
223.08212	0.5
224.58519	0.3
231.05016	1.6
249.06155	24.0
250.06505	1.8
257.48911	0.3
267.07199	100.0
268.07547	6.6
347.24481	0.8
352.66708	0.3
389.14554	22.5
389.25449	0.9
390.14844	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	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97283	0.5
59.01385	2.3
61.18048	0.5
61.98833	100.0
71.01388	0.4
71.71326	0.6
72.99318	1.0
78.05784	0.4
78.73064	0.4
86.41419	0.4
96.96027	0.5
125.06136	0.6
142.06633	3.0
186.05649	1.9
209.11797	0.4
215.07213	0.4
233.02156	0.4
263.12714	0.5
389.19553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01882	4.9
56.98035	2.8
57.03434	2.9
58.00587	2.4
58.99605	7.4
59.01383	63.7
59.05717	0.8
61.98834	25.8
64.57874	0.8
66.03505	5.2
67.01879	1.1
68.05054	1.2
69.54461	2.5
69.54887	4.9
71.01388	61.5
72.99326	4.7
73.02953	15.5
75.00870	2.0
81.01421	0.8
81.72362	0.8
83.01398	9.1
85.02961	26.9
87.00890	7.1
89.02460	30.5
94.02988	6.1
95.01422	5.3
97.02982	1.7
98.19905	1.5
99.00890	7.1
101.02459	44.6
102.02803	0.8
103.00377	0.8
108.04580	1.3
109.02969	6.5
110.02496	7.3
111.00889	1.9
112.04053	1.6
113.02467	22.7
114.02814	1.0
116.07169	1.3
119.03519	15.5
121.02979	2.7
123.00937	3.7
123.04527	1.1
124.04110	1.1
125.02455	2.0
125.06108	0.9
127.85523	0.9
131.03545	4.1
132.05675	0.8
134.03740	2.3
136.04034	1.3
137.02469	53.5
138.03311	6.3
139.00372	1.1
139.03995	1.1
140.05412	3.8
143.03531	3.7
146.21275	0.9
149.02422	1.3
149.06108	1.4
150.03235	2.3
151.04066	2.1
152.01144	0.8
152.04817	25.1
153.05627	4.0
159.03011	2.0
161.04582	10.7
165.04204	0.8
165.05589	4.9
166.03360	22.4
166.05971	1.0
167.03484	3.4
167.05952	1.0
167.07198	4.2
178.02687	1.8
179.03543	7.5
179.05612	6.2
181.05125	1.0
184.03754	6.2
191.03383	1.0
193.05150	3.9
194.05893	6.1
197.04529	3.0
209.04599	6.5
209.08163	10.9
210.08586	1.4
211.06139	0.8
212.06924	37.0
213.07324	2.4
221.06715	1.5
225.07610	2.0
226.05394	1.0
226.07910	1.0
227.05623	4.5
227.09264	100.0
228.09615	7.2
329.12277	1.4
329.16122	1.1
358.77423	0.8
389.14532	96.3
390.08728	10.8
390.14816	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	388.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08851	0.3
55.01892	0.3
59.01384	8.9
61.98835	100.0
64.06754	0.4
70.66355	0.3
71.01396	4.6
71.70893	0.5
72.99306	0.6
73.02965	0.5
75.00881	0.5
80.05083	0.3
82.06627	2.5
83.01397	0.4
85.02985	1.5
87.00893	0.8
88.98849	0.6
89.02467	4.2
94.03024	0.5
95.01414	0.5
96.96011	0.5
98.02504	1.1
98.88235	0.3
99.00864	0.5
99.92605	0.7
101.02467	2.6
108.04607	0.9
109.02954	0.3
111.00918	0.7
111.04538	0.4
113.02481	1.5
116.92830	0.3
119.03544	1.6
119.05154	0.3
120.05379	0.3
121.02985	0.5
122.06149	0.4
123.00913	0.6
123.04541	0.7
124.01714	1.1
125.02493	0.7
125.06093	0.6
126.05595	0.4
128.03551	0.5
137.02487	0.7
138.01974	0.7
138.05602	0.6
138.09271	1.0
149.02425	0.4
150.03160	0.5
150.05672	0.9
151.04025	1.5
152.04420	0.8
153.05585	2.0
161.04605	0.7
163.04034	0.4
164.07274	0.5
165.05624	0.6
166.06171	0.4
167.03468	0.7
167.07133	0.6
168.06697	1.6
177.01884	0.7
178.02310	0.5
179.03577	1.7
179.05664	0.4
182.08253	2.8
192.04289	0.4
193.05014	1.3
194.05928	0.8
195.03056	2.2
196.03375	2.0
209.04630	2.4
209.08246	2.3
210.05107	4.2
211.05678	2.6
224.07007	0.9
224.09355	0.9
225.07605	6.1
226.08073	7.9
227.08243	0.3
284.11600	0.4
343.75546	0.4
388.12695	7.0
389.10669	0.7
389.19632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88289	0.9
58.00584	3.5
59.01380	80.4
60.01718	1.1
61.98836	12.8
67.01905	1.3
69.03454	1.9
69.10317	1.0
69.75536	6.9
71.01389	46.7
72.01733	1.3
72.99310	3.6
72.99727	0.9
73.02969	1.9
73.12374	1.2
80.06300	1.0
81.03481	3.0
82.02981	2.0
83.00595	0.9
83.01393	2.1
83.48341	1.0
85.02966	9.6
87.00893	3.9
89.02457	57.1
93.03478	1.4
95.01415	3.2
95.05080	1.2
96.96049	1.2
99.00866	1.0
100.04111	1.9
101.02454	23.5
107.05042	2.5
108.08186	1.7
109.02937	1.5
109.06646	1.1
110.09769	3.1
111.00907	1.6
112.04053	4.6
113.02467	49.3
114.02760	1.6
115.04009	1.3
119.03518	21.6
120.08201	1.8
123.04552	1.5
124.04053	2.6
125.02475	4.7
131.03513	1.5
134.06137	3.5
135.04578	1.2
136.07700	37.2
137.02484	2.3
138.09229	1.2
139.04083	1.1
143.03491	4.7
149.02528	1.5
149.04573	2.0
151.04080	1.6
154.08778	21.4
161.04602	5.3
164.07205	13.3
165.05621	2.1
167.03497	5.7
178.02522	1.0
179.05630	14.4
180.04248	1.1
182.08241	55.5
183.08571	2.6
184.84599	1.1
195.06651	3.7
196.09804	6.6
207.06537	2.3
208.06129	2.1
221.10619	1.0
221.84665	1.1
224.09322	1.6
225.07661	2.2
226.07191	18.5
284.22815	1.0
328.10364	1.8
329.08536	1.4
388.12506	100.0
389.12830	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	388.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31850	0.4
59.01372	3.1
61.01799	0.4
61.98833	100.0
69.31294	0.4
69.92361	1.5
69.92777	0.8
71.01401	0.7
85.02967	0.6
99.00893	0.4
100.61024	0.4
105.84591	0.3
113.02512	0.6
117.87551	0.4
127.05956	0.4
144.38623	0.4
150.20938	0.4
159.24214	0.4
191.71919	0.4
258.62604	0.4
267.07376	0.9
389.14706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99543	0.3
59.01382	2.1
61.18212	0.3
61.98833	100.0
69.76480	0.4
70.86393	0.7
70.86765	0.7
91.82519	0.3
96.48787	0.3
96.70192	0.3
96.96009	0.6
116.38769	0.4
139.33852	0.3
172.89447	0.3
184.25206	0.3
203.03508	0.4
307.22488	0.3
372.95285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	45.8
59.55565	14.1
61.98825	100.0
175.62372	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	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88051	18.0
57.08772	17.6
59.01378	65.2
61.98843	100.0
65.41367	18.0
85.02921	17.8
147.04466	16.6
162.63101	16.0
165.05579	29.1
259.99112	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	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05400	0.4
50.18669	0.5
59.01379	100.0
60.01719	1.7
61.98832	8.4
62.29402	0.4
69.92583	2.7
91.08144	0.4
91.08774	0.3
106.36279	0.5
121.58370	0.4
235.20706	0.9
253.21736	8.1
254.22166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01703	2.2
61.98818	5.9
72.42719	1.1
128.71358	1.3
253.21675	4.8
280.95895	1.3
387.25726	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57357	0.2
58.92754	0.2
59.01381	4.2
61.98833	100.0
71.01398	1.3
71.29659	0.6
72.99314	0.5
79.50229	0.2
85.02966	0.4
87.00895	0.4
89.02458	1.1
101.02467	0.5
113.02462	0.8
119.03536	0.6
124.81886	0.3
125.02547	0.3
137.02502	0.3
145.02977	0.3
150.03261	0.3
163.11380	0.4
164.11632	0.4
165.05605	0.6
193.05190	0.4
195.06789	0.3
217.55840	0.2
225.07747	0.4
226.08180	0.3
270.65317	0.3
363.04501	0.3
388.12064	0.5
388.16946	4.5
389.17865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03446	1.2
58.59467	0.3
59.01383	2.2
61.98836	0.6
67.89214	0.3
70.39851	0.3
71.01378	0.3
71.28992	0.3
71.29351	0.9
72.99341	0.6
81.03477	0.5
81.24201	0.4
93.07109	4.0
109.06610	0.5
111.08176	11.3
116.05076	1.1
128.05055	0.6
130.06689	0.4
137.06081	1.0
142.06644	100.0
143.06993	5.3
155.07167	19.9
156.07494	0.8
158.06157	2.8
186.05626	47.0
187.06012	3.4
199.06137	35.1
199.08073	0.6
200.06468	2.1
204.06664	9.4
205.06920	0.7
227.94193	0.3
240.72400	0.4
264.34628	0.3
289.07166	0.5
301.20087	0.5
310.48312	0.3
342.13315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1301
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
57.03465	0.4
59.01381	16.0
61.98837	4.0
69.80821	1.0
69.81241	1.6
71.01376	2.3
73.02959	0.4
79.30953	0.4
82.14259	0.4
85.02962	2.2
87.00903	1.2
89.02455	1.8
92.48773	0.3
93.03493	1.5
96.96034	0.4
98.20657	0.5
101.02489	1.7
101.29619	0.4
109.02992	2.7
113.02476	0.9
119.03527	1.1
121.02984	29.3
122.03146	0.4
122.03790	1.4
122.30514	0.4
123.04533	0.9
125.02470	1.9
131.86195	0.5
135.04530	0.5
137.02473	2.1
137.06155	1.3
149.02473	0.8
151.04079	0.6
154.84639	0.4
163.07678	7.9
165.05602	100.0
166.05946	6.4
177.01962	1.5
179.05688	0.5
179.07175	0.5
187.56323	0.5
192.04362	1.1
207.06638	1.4
210.05383	0.9
225.07700	96.4
226.08061	5.9
322.01828	0.4
373.19037	0.4
387.12985	47.2
388.13379	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	387.1668
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.51651	0.6
51.91035	0.5
56.81697	0.6
57.03438	1.4
57.56269	0.5
58.00589	2.7
59.01382	82.9
60.01701	1.1
61.98833	16.7
71.01392	25.9
71.71822	1.1
72.99309	5.9
73.02942	1.5
75.00867	2.0
83.01387	2.1
85.02959	7.5
86.03316	0.7
87.00883	2.1
89.02457	24.6
93.03467	9.2
95.01395	2.6
99.00884	1.6
101.02464	14.5
101.06088	1.1
103.03974	0.7
113.02462	11.8
119.03524	7.8
119.05031	2.3
121.02974	0.8
125.02476	1.6
131.03587	1.1
133.02945	2.8
134.03784	4.1
135.03143	0.6
135.04103	1.4
136.04341	1.1
137.02473	23.7
138.02864	0.8
143.03557	0.8
147.04547	7.7
149.02492	1.5
149.04636	1.0
161.02467	6.4
161.04510	1.6
162.02779	2.6
163.03035	2.8
163.11314	17.8
164.11662	1.3
165.05594	20.5
175.00316	0.8
178.29727	0.7
179.05592	2.2
180.04318	1.9
190.02727	1.8
192.03207	1.6
193.05038	3.4
194.05397	2.4
195.05594	2.5
196.62923	0.7
205.05052	1.9
206.05412	1.6
207.03278	0.7
207.05507	1.3
207.10300	6.3
209.06657	1.1
211.07132	0.9
225.11250	0.7
249.06120	4.8
267.07364	1.0
268.07495	1.2
269.07785	3.5
343.10403	0.7
351.13010	1.4
387.12088	11.2
387.16608	100.0
388.12305	1.2
388.16949	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
56.99823	0.2
57.03444	0.5
59.01382	100.0
60.01720	1.2
65.63607	0.2
69.50478	1.6
71.01389	6.0
73.02957	2.1
76.21696	0.2
83.01409	0.5
85.02962	2.5
87.00891	0.4
89.02450	0.4
95.01417	0.6
99.00911	0.6
101.02457	3.3
101.03082	0.2
113.02470	3.1
125.02490	0.3
137.02461	0.2
143.03546	0.6
146.68407	0.2
148.05328	11.8
149.05705	0.5
159.03067	0.8
161.04573	8.2
162.04936	0.5
163.07669	10.3
164.08031	0.5
192.85486	0.2
335.14505	0.2
385.87939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01380	100.0
60.01712	1.3
61.98833	3.4
71.01385	10.6
72.99324	2.9
73.02956	2.5
75.00877	0.7
83.01413	2.6
84.18317	0.7
85.02964	5.5
85.93301	0.6
87.00898	1.9
89.02464	1.9
90.33562	0.6
95.01379	0.7
96.96027	0.8
98.19901	1.6
99.00890	3.9
101.02468	3.3
109.02985	0.8
111.00906	1.4
112.98820	5.7
113.02502	3.1
115.00382	1.9
123.04514	1.0
125.02485	2.2
127.88125	0.7
129.01994	1.1
134.03751	1.6
135.03004	1.5
137.02438	3.3
142.99872	9.5
148.05319	11.7
149.02480	0.7
150.03221	0.8
156.00719	1.5
159.02979	0.9
161.02531	1.3
161.04570	7.1
163.07658	9.9
165.02025	1.3
173.00938	5.2
174.01707	24.8
175.02411	2.3
179.03468	0.9
193.05168	1.0
205.12369	1.8
209.06502	0.7
211.13411	8.4
213.10359	4.7
223.13364	3.1
235.05325	0.7
263.12885	1.2
267.12280	3.8
279.12305	0.7
287.05646	0.7
289.57144	0.8
294.72430	0.7
295.41006	0.9
307.11816	3.0
325.13028	1.0
341.16422	1.0
343.20901	3.1
349.13101	1.3
367.14041	10.6
385.08591	1.2
385.13196	2.9
385.22375	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	385.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51331	0.2
56.67716	0.2
57.03488	0.2
59.01374	0.9
61.98833	100.0
71.28378	0.2
71.28719	0.3
85.02961	0.2
85.42852	0.2
128.10820	0.4
130.08748	3.8
162.02644	0.2
179.47577	0.2
313.04346	0.2
322.20197	2.7
323.20612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
58.26220	0.5
59.01377	14.9
59.30941	0.5
64.46008	0.6
67.01888	0.9
68.99812	1.5
69.03449	1.0
70.53165	1.3
71.01385	18.5
72.99310	3.2
73.02943	1.1
75.00878	16.0
83.01397	1.2
85.02958	20.4
87.00880	7.0
89.02467	6.7
91.03983	0.6
91.05536	16.8
93.03439	0.6
95.01403	6.2
99.00887	8.3
101.02421	0.6
103.00366	2.2
104.11500	0.5
111.00881	1.3
113.02460	35.9
114.02761	0.9
115.00363	1.0
117.01949	2.8
117.03414	3.4
121.02983	4.7
129.01987	2.6
134.03763	1.5
135.03598	0.9
135.04543	9.9
149.04576	0.9
157.01442	0.7
175.02502	2.0
189.04015	1.5
191.05560	0.6
193.05043	1.5
205.05179	0.5
205.07205	1.4
205.09009	0.5
207.05084	1.7
209.06602	2.0
219.96684	0.5
231.05124	1.7
231.61504	0.6
238.23657	0.5
249.06152	36.9
250.06483	2.4
263.07648	1.8
267.07196	100.0
268.07590	7.1
385.11411	42.2
386.11743	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Axitinib
Peak:m/z	Relative Intensity
51.21652	0.6
55.01872	0.9
57.03436	3.2
59.01382	32.1
61.98822	1.1
64.79281	0.7
67.01909	0.8
68.96449	0.7
68.99831	2.6
69.03478	2.2
70.09927	1.2
70.10343	2.1
71.01391	18.9
72.99321	6.2
73.02953	2.3
75.00883	19.9
80.91684	1.7
81.03489	1.0
83.01408	1.6
85.02966	22.5
87.00894	7.4
89.02464	3.5
91.05556	8.6
92.32597	0.6
93.03491	1.7
94.98103	1.2
95.01384	4.8
99.00902	11.8
100.01286	0.7
101.02476	0.8
103.00401	2.4
109.03002	1.0
109.71892	0.6
111.00898	1.9
112.31447	0.6
113.02470	26.1
114.02840	0.8
115.00388	2.3
117.01978	3.7
129.01978	2.5
131.31448	0.7
135.04549	100.0
136.04881	5.5
137.02487	0.9
150.05586	0.6
157.01463	0.9
161.02460	1.6
175.02527	3.3
189.04137	1.0
191.02081	0.7
214.08205	0.7
231.05103	7.6
249.06158	64.4
250.06389	3.6
283.02386	0.6
304.06009	1.7
325.09387	1.6
338.54514	0.7
367.10391	2.1
385.11404	69.1
386.11853	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	384.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06943	0.7
59.01384	8.1
60.15173	0.6
61.98840	4.5
62.73027	0.7
66.25576	0.7
71.01390	1.9
71.14290	0.6
71.71931	1.1
72.99318	0.9
80.02682	6.0
81.03472	1.6
83.01404	1.2
85.02965	1.8
87.00880	0.8
87.04444	0.6
90.52488	0.7
90.89840	0.6
93.03473	2.6
97.01377	0.7
97.02940	1.1
99.00895	0.7
101.02425	0.9
107.05046	1.0
109.03000	0.7
109.06615	16.2
110.06934	0.9
111.37908	0.6
113.02491	0.8
116.05080	3.1
121.02959	1.0
121.29665	0.7
123.04572	0.7
123.08190	0.9
125.02474	1.3
133.02995	2.5
137.02467	7.0
142.06647	100.0
142.99893	1.2
143.06998	5.6
145.03993	0.6
150.03276	1.2
153.05600	19.9
154.05931	1.2
158.06142	0.7
165.01953	1.8
167.03491	1.2
173.00813	1.2
174.01695	2.5
186.05623	54.2
187.05971	3.5
197.04567	6.4
204.06715	3.2
211.13440	1.3
218.35397	0.7
223.13406	0.9
225.85510	0.6
252.13986	0.9
267.12057	0.7
343.21457	1.1
367.13840	1.9
384.10626	2.2
385.13113	1.1
385.22510	0.9
395.06830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03452	12.3
59.01381	8.2
68.99821	1.3
71.01377	6.3
71.70239	0.8
71.70939	0.7
72.99314	3.6
73.02946	1.6
75.00878	2.6
83.01407	2.2
84.02190	3.0
85.02962	100.0
86.03294	2.5
87.00910	4.3
89.02474	2.9
101.02468	1.8
103.00393	1.8
111.00905	5.1
112.84815	0.7
112.98841	1.1
115.00377	2.4
119.05059	6.4
129.01956	8.4
133.01463	3.7
134.03780	5.2
147.03011	10.6
163.04042	6.2
163.10815	0.8
171.03038	0.7
173.00948	1.5
173.04710	1.0
174.01730	15.9
174.91783	0.9
175.02477	1.4
179.03629	0.8
181.05103	1.1
191.02002	28.4
192.02388	1.1
193.05072	2.1
193.07167	1.2
205.03589	2.5
209.03035	25.6
210.96594	1.1
215.75290	0.7
223.04549	13.2
223.06355	0.8
250.33154	0.9
267.08643	1.3
295.08282	1.6
325.09308	3.4
331.58530	0.7
385.11493	31.2
386.11639	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
56.18886	0.9
57.03442	3.7
59.01377	11.0
67.01894	1.6
69.39669	8.8
71.01391	14.8
72.97215	0.9
72.99317	2.3
75.00890	7.9
83.01387	1.8
85.02959	24.1
87.00877	6.9
89.02446	4.6
89.03987	2.9
91.05545	3.8
95.01386	2.9
99.00905	6.2
101.02434	1.5
113.02463	15.8
117.03491	13.0
118.03836	1.6
129.01991	5.4
133.02982	8.8
134.03763	94.5
135.03989	5.0
149.02460	2.4
149.06102	8.0
150.66071	0.9
159.03000	2.6
161.02464	20.7
162.02820	1.0
164.04811	1.7
175.00404	1.3
190.02734	2.3
191.05637	7.1
193.05077	100.0
194.05367	6.7
205.05069	3.8
205.06953	1.0
207.05222	1.1
208.03766	2.3
209.06682	26.6
223.06059	7.1
249.06216	2.8
266.15454	0.8
267.07208	53.9
268.07581	4.3
277.09457	0.8
325.09467	1.4
385.11441	32.6
386.11710	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	382.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67600	0.2
59.01375	1.1
59.48423	0.2
61.98832	100.0
72.00947	0.4
75.69795	0.2
85.02964	0.2
91.05560	0.5
99.00945	0.3
106.21857	0.2
116.15931	0.2
129.10358	3.3
130.00670	0.2
147.04529	1.2
154.08775	0.6
164.07204	2.3
165.05623	0.5
171.11397	2.8
233.16521	1.5
319.16635	11.0
320.16840	1.2
344.99951	0.2
365.91458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	18.6
59.01387	39.4
60.84315	5.2
67.53384	4.3
69.82047	5.0
71.01388	36.2
71.70908	7.3
71.92839	4.7
72.99336	5.8
73.02946	9.3
73.47929	4.9
75.00873	9.8
82.92505	5.1
83.01396	11.2
85.02970	26.3
87.00888	31.7
88.98834	8.6
89.02459	16.1
99.00890	27.8
101.02455	16.4
103.00400	7.9
111.00945	23.8
112.98830	76.9
115.00365	8.1
117.05643	5.5
119.03541	8.8
129.01978	46.4
135.03021	5.5
142.99890	42.7
147.02972	12.4
158.08281	6.1
159.67200	5.2
161.04636	6.2
173.00935	77.7
191.02011	19.0
191.05646	100.0
192.05917	6.6
209.06708	13.2
237.99974	5.8
323.09985	5.4
341.10919	7.5
347.02512	5.1
383.11133	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	384.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
61.98843	1.9
69.82470	2.1
71.01420	0.7
71.05050	0.3
72.99332	0.4
80.02689	5.7
81.03044	0.4
81.03439	1.5
82.15698	0.3
83.01394	0.5
85.02966	1.1
89.02477	0.3
93.03481	0.7
97.02979	0.8
98.20610	0.4
107.05042	1.3
109.06609	14.7
110.06928	0.5
113.02503	0.5
116.05083	2.6
123.08192	0.6
125.02479	0.9
132.33072	0.3
133.02974	0.4
135.04549	0.4
137.02449	1.8
142.06647	100.0
143.07002	4.9
150.03223	0.4
153.05595	21.0
154.05962	0.6
158.06168	1.6
161.02383	0.3
165.01958	0.8
167.03494	0.5
186.05626	53.4
187.05969	4.3
197.04578	5.7
198.04942	0.3
204.06667	2.5
205.05110	0.3
211.13435	0.6
221.08110	1.9
222.08543	4.0
252.13898	0.5
343.21466	0.8
384.09897	0.4
384.13965	2.8
384.59839	0.4
385.13141	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	381.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.9
59.01379	12.2
61.98834	17.8
69.54991	4.2
69.55421	1.6
69.97460	0.7
70.03004	0.9
71.01393	9.0
71.05025	0.8
72.00922	2.4
72.04554	1.0
72.99305	1.6
73.02958	2.3
75.00878	3.9
76.17226	0.6
82.03011	1.1
83.01402	0.7
85.02956	5.4
85.06593	4.7
86.02507	0.8
86.50020	0.6
87.00900	1.6
89.02448	3.9
92.05080	2.1
95.01403	1.5
99.00883	3.2
100.04054	1.1
101.02451	2.9
101.83971	0.7
113.02463	7.1
113.06112	1.6
114.06297	0.8
116.05075	3.4
118.03014	0.8
128.05028	1.1
129.05588	0.9
130.06635	1.0
130.08745	4.0
131.03783	3.1
131.07166	11.2
132.04565	8.3
133.05060	1.8
142.06633	1.6
143.06187	1.8
144.04584	8.1
145.04094	1.1
145.05200	1.0
146.06093	0.8
154.06647	1.6
154.32651	0.7
156.06953	6.9
157.07733	5.7
158.04919	1.3
158.06133	3.2
159.05659	1.6
159.77209	0.7
160.04066	10.0
161.04602	1.2
167.06169	11.0
168.06447	0.9
169.07736	3.9
170.06143	2.3
171.09294	10.1
172.04079	1.2
172.07759	0.7
172.09610	1.4
173.07230	10.0
174.05655	0.9
174.07454	1.2
175.02701	1.8
176.07095	1.1
179.06125	0.9
180.06958	1.8
181.07738	59.3
182.06174	2.8
182.08051	4.1
187.08759	2.4
188.05920	2.1
197.07234	6.1
199.08788	35.6
200.09070	2.3
201.06760	4.4
213.06668	0.9
217.09850	4.3
219.07753	1.4
223.08858	0.8
226.05119	4.1
227.30119	0.7
243.07759	26.7
244.08109	2.2
249.06126	4.6
261.08792	100.0
262.09106	9.0
267.07202	4.4
273.08725	1.5
281.06909	0.7
319.12805	1.3
337.14294	1.1
338.08755	1.5
363.12061	4.2
381.13412	36.5
382.14005	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09723	0.5
54.74539	0.6
55.01875	0.5
57.03452	4.1
58.00595	0.6
59.01381	15.3
61.98837	0.8
67.01879	0.7
68.99809	1.4
69.03463	1.1
70.90920	1.7
71.00993	0.9
71.01383	17.0
71.05030	6.0
72.05339	0.5
72.99313	5.1
73.02940	1.3
75.00874	16.1
81.03467	0.6
83.01367	0.9
83.05041	0.7
85.02957	19.7
85.06596	22.4
86.06937	0.7
87.00887	6.0
87.08186	2.9
89.02449	4.8
91.04009	1.3
95.01421	3.9
99.00896	8.0
102.11057	0.5
103.00400	2.8
109.86888	0.5
111.00847	0.7
111.04563	0.8
113.02465	24.7
113.06122	4.4
114.02802	1.0
115.00390	2.4
117.01955	2.5
129.01944	1.8
129.05614	2.7
129.06488	0.5
131.03554	1.0
131.07156	62.0
132.07501	3.1
149.04543	1.0
157.01443	0.7
175.02486	2.0
189.03999	1.0
196.96725	0.5
205.07169	1.4
231.05128	1.5
244.25943	0.6
249.06142	19.2
250.06491	1.3
267.07184	12.9
268.07556	0.8
363.13019	2.2
381.14023	100.0
381.92941	0.6
382.14438	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	381.1918
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03424	0.5
58.00578	0.9
59.01378	3.2
61.98817	0.8
65.82141	0.3
68.25544	0.3
69.03432	1.4
70.50971	0.8
71.01395	2.8
72.99318	1.4
73.02941	1.1
75.00881	4.6
83.05062	0.4
85.02965	2.7
87.00861	1.0
89.02422	0.5
89.72581	0.3
95.01378	0.8
99.00889	1.5
99.76073	0.4
111.00847	0.7
113.02460	3.0
113.06080	0.6
115.00378	2.0
117.01940	0.5
120.53636	0.3
122.02490	1.0
131.07161	13.4
132.07478	0.5
135.08211	0.6
137.09729	2.0
147.04538	1.2
165.05602	2.6
171.03036	0.6
175.02586	0.5
190.55605	0.3
197.00909	0.6
217.15988	0.8
231.05135	0.7
233.19159	0.7
245.19049	1.3
246.19414	0.4
249.06165	6.8
255.17587	0.5
257.15436	1.0
257.19043	0.8
261.18600	0.5
263.20175	0.6
273.18573	1.3
275.20169	0.9
289.93445	0.3
293.18018	0.4
309.20798	0.5
319.19012	0.7
335.18771	0.8
337.20200	35.3
338.20529	4.1
350.67007	0.3
381.14105	8.9
381.19138	100.0
382.14548	1.3
382.19501	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	381.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
59.01139	0.3
59.01381	22.5
61.98835	100.0
67.19728	0.5
68.99811	0.8
69.03474	0.9
71.01391	14.5
71.05019	2.7
71.70602	0.8
72.99334	2.2
73.02964	3.1
74.02470	0.6
75.00878	7.9
75.97342	0.5
83.01416	1.4
85.02969	11.1
85.03445	0.8
85.06611	8.8
87.00880	4.1
87.08160	1.0
88.98817	0.6
89.02457	6.7
95.01405	3.3
99.00896	8.5
101.02466	4.7
101.74722	0.5
103.00388	1.6
111.04570	0.9
112.01665	0.6
112.49773	0.5
113.02472	16.3
113.06129	1.8
115.00420	1.0
117.02010	1.0
119.03488	0.5
123.04575	0.6
125.02464	0.7
127.00411	0.5
129.02007	1.0
129.05605	0.6
130.08734	0.7
131.03549	1.4
131.07161	24.9
132.07466	0.8
133.04080	1.1
133.05095	22.5
134.05507	0.7
149.04643	0.7
161.04594	1.9
165.05537	0.6
175.02583	1.3
175.06161	0.9
179.05750	1.1
181.07846	1.0
205.07153	0.6
211.95937	0.5
219.07738	0.8
243.05119	0.7
249.06161	6.9
261.04184	0.9
261.08871	1.0
267.07230	7.5
292.66989	0.6
321.12103	1.1
363.13031	0.7
381.10254	1.8
381.14108	33.8
382.14841	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	379.2854
Annotation	Persin
Peak:m/z	Relative Intensity
59.01368	1.4
61.98818	2.1
66.15664	0.8
71.63822	0.8
71.64162	1.1
84.66026	0.7
85.62865	0.7
99.92612	2.5
115.92120	1.3
116.92904	4.3
116.93629	0.7
128.43747	0.9
219.27298	0.7
272.18692	0.8
279.23236	1.5
347.25912	8.1
348.26242	1.5
368.51642	0.9
379.15836	2.3
379.28543	100.0
380.28903	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
57.03440	1.0
59.01383	3.3
61.98823	0.2
62.48097	0.2
67.01890	1.3
68.99833	0.8
69.03452	0.5
71.01396	2.8
71.71466	0.2
72.01794	0.2
72.99332	0.5
75.00899	0.3
83.01398	0.8
85.02962	5.4
86.00126	0.4
87.00896	2.3
89.02463	0.3
91.04015	0.4
95.01382	1.5
97.02953	0.3
99.00922	0.4
100.01682	0.2
101.02457	0.4
111.00893	1.9
112.01635	0.3
113.02467	4.9
114.02813	0.2
115.07670	100.0
116.08012	4.1
123.02293	0.2
125.96130	0.2
129.01939	0.7
129.09233	0.5
133.21391	0.2
135.04573	0.4
139.00391	0.8
142.06682	0.2
143.03479	0.3
157.01437	0.5
189.04048	0.5
190.04636	0.2
193.73878	0.2
196.62195	0.2
205.07228	1.3
231.04953	0.3
253.49219	0.2
263.07724	4.9
264.08023	0.3
281.08887	0.3
313.58261	0.2
319.17590	0.3
347.13458	0.7
379.16110	24.2
380.16425	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03455	2.5
58.00587	0.7
59.01381	16.2
61.98827	0.7
67.01886	0.6
68.99813	0.6
69.03454	0.5
69.58797	3.2
71.01389	16.3
72.99315	5.4
73.02947	1.6
75.00879	17.6
83.01395	0.9
84.01260	0.4
85.02958	20.7
86.03281	0.8
87.00881	7.4
87.44936	0.4
89.02450	6.3
95.01403	5.5
98.20639	0.7
99.00892	10.3
101.02457	0.7
103.00390	3.3
111.00874	0.7
113.02464	30.2
114.69031	0.4
115.00385	1.6
117.01949	3.3
129.01939	1.7
129.09236	96.5
130.09569	4.7
131.03532	0.8
157.01425	1.2
175.02481	3.6
189.05612	0.5
191.46315	0.4
193.03447	0.7
205.07204	2.6
216.04318	1.0
217.05057	1.8
223.08185	1.6
231.05051	0.6
243.26950	0.4
249.06151	5.7
250.06458	0.4
267.07187	5.8
285.62808	0.4
293.56790	0.4
306.20145	0.4
319.14075	1.0
361.15012	2.5
379.16098	100.0
380.16452	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	379.1614
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01886	0.9
57.03455	2.5
58.00587	0.7
59.01381	16.2
61.98827	0.7
67.01886	0.6
68.99813	0.6
69.03454	0.5
69.58797	3.2
71.01389	16.3
72.99315	5.4
73.02947	1.6
75.00879	17.6
83.01395	0.9
84.01260	0.4
85.02958	20.7
86.03281	0.8
87.00881	7.4
87.44936	0.4
89.02450	6.3
95.01403	5.5
98.20639	0.7
99.00892	10.3
101.02457	0.7
103.00390	3.3
111.00874	0.7
113.02464	30.2
114.69031	0.4
115.00385	1.6
117.01949	3.3
129.01939	1.7
129.09236	96.5
130.09569	4.7
131.03532	0.8
157.01425	1.2
175.02481	3.6
189.05612	0.5
191.46315	0.4
193.03447	0.7
205.07204	2.6
216.04318	1.0
217.05057	1.8
223.08185	1.6
231.05051	0.6
243.26950	0.4
249.06151	5.7
250.06458	0.4
267.07187	5.8
285.62808	0.4
293.56790	0.4
306.20145	0.4
319.14075	1.0
361.15012	2.5
379.16098	100.0
380.16452	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	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.44589	0.5
55.01862	0.9
57.03446	0.8
57.71314	0.5
58.00589	2.0
59.01381	57.1
60.01694	0.7
60.05133	0.5
61.98821	2.1
69.03448	2.1
69.91679	3.0
71.01386	25.9
72.99314	2.9
73.02940	1.5
83.01392	1.9
83.05034	3.9
85.02954	5.4
85.06604	1.8
87.00873	1.4
88.12178	0.5
89.01907	1.1
89.02455	22.1
95.01388	2.4
97.02991	0.7
99.00908	1.0
101.02457	14.4
103.00348	0.6
109.06637	0.6
113.02453	9.9
119.03522	8.5
120.03880	0.5
123.71345	0.6
125.02361	0.7
131.03474	0.8
131.07175	6.0
137.09743	9.7
143.03531	1.0
147.04550	0.7
149.02437	2.0
149.04556	0.9
150.03249	2.3
155.07172	2.5
155.10806	28.3
156.11125	1.6
157.08717	2.2
161.04593	1.3
164.04877	0.8
165.05568	2.9
173.11751	0.6
179.05635	1.6
181.08749	3.0
185.00908	0.7
195.06581	1.8
199.09776	48.0
200.10170	3.0
217.10854	5.8
247.04701	0.9
262.59109	0.5
319.13986	2.1
331.11893	1.0
348.13974	0.7
361.14868	0.9
379.16101	100.0
380.16528	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04622	0.2
51.85797	0.2
59.01380	3.0
61.01782	0.3
61.98832	100.0
69.13532	0.3
71.71103	0.3
71.71503	0.3
82.76713	0.3
125.02480	0.5
133.02992	0.6
137.02448	0.3
145.03055	0.4
178.02724	0.7
179.06999	0.3
211.13345	0.3
258.11407	0.6
355.91629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.5
59.01374	39.2
71.01386	45.6
71.70809	5.7
72.99305	6.3
73.02950	5.9
75.00865	6.0
83.01385	10.0
85.02961	9.8
87.00894	7.6
87.12915	3.8
89.02445	19.7
99.00894	47.9
101.02452	12.6
101.04430	3.3
111.00893	14.2
112.98828	100.0
113.02447	10.7
113.99109	4.5
115.00368	12.4
124.98793	8.1
128.07182	9.6
129.01949	20.1
130.08733	12.7
142.99875	75.8
143.03598	5.0
144.00204	4.6
145.01407	6.0
161.04625	4.5
173.00925	78.1
174.01315	4.9
175.02419	7.5
179.05588	6.9
205.03510	13.4
217.02892	6.7
225.47417	4.6
246.64932	4.6
297.42084	4.3
319.08838	14.9
341.10883	37.8
379.08243	34.6
379.12527	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	379.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.5
59.01374	39.2
71.01386	45.6
71.70809	5.7
72.99305	6.3
73.02950	5.9
75.00865	6.0
83.01385	10.0
85.02961	9.8
87.00894	7.6
87.12915	3.8
89.02445	19.7
99.00894	47.9
101.02452	12.6
101.04430	3.3
111.00893	14.2
112.98828	100.0
113.02447	10.7
113.99109	4.5
115.00368	12.4
124.98793	8.1
128.07182	9.6
129.01949	20.1
130.08733	12.7
142.99875	75.8
143.03598	5.0
144.00204	4.6
145.01407	6.0
161.04625	4.5
173.00925	78.1
174.01315	4.9
175.02419	7.5
179.05588	6.9
205.03510	13.4
217.02892	6.7
225.47417	4.6
246.64932	4.6
297.42084	4.3
319.08838	14.9
341.10883	37.8
379.08243	34.6
379.12527	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	379.1614
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	0.5
57.03445	2.2
58.00588	0.5
59.01382	12.0
60.01715	0.2
61.22657	0.2
67.01890	0.5
67.32063	0.2
68.99813	1.1
69.03456	0.7
69.46296	1.9
71.01387	12.4
72.01683	0.3
72.99312	4.1
73.02956	1.2
75.00883	15.9
77.53616	0.1
81.03455	0.4
83.01392	1.1
83.05032	0.3
84.02171	0.2
85.02962	15.5
86.03288	0.5
87.00888	5.9
89.02457	3.2
91.04020	0.2
93.03465	0.3
94.50829	0.2
95.01396	3.9
97.02974	0.2
99.00897	8.6
101.02460	0.4
103.00396	2.1
109.02969	0.2
111.00898	0.8
111.04565	0.2
113.02470	20.5
114.02789	0.5
115.00387	1.7
115.04035	0.3
117.01965	2.8
129.01999	1.3
129.09242	100.0
130.09564	4.2
131.03467	0.3
132.62537	0.2
157.01457	0.8
175.02515	2.2
183.77762	0.2
205.07202	0.7
223.08224	0.2
231.05112	1.8
232.05492	0.2
249.06157	14.8
250.06470	0.8
267.07156	2.0
268.07559	0.2
276.48029	0.2
319.13983	0.8
361.15063	2.9
379.16110	70.8
380.16437	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	378.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96470	0.2
57.41713	0.2
58.76453	0.2
59.01386	1.8
61.36504	0.2
61.98834	100.0
62.98528	0.2
71.01395	1.0
71.40902	0.3
71.41240	0.3
72.99330	0.3
75.00886	0.7
85.02982	0.9
85.06609	0.5
87.00887	0.4
88.98827	0.3
89.02457	0.3
95.01393	0.4
99.00909	0.4
101.02463	0.2
108.12598	0.2
112.99616	0.2
113.02457	1.2
129.05605	2.5
135.04465	0.2
153.05602	0.4
187.84476	0.2
198.07732	0.2
203.08394	0.5
217.45148	0.2
242.87314	0.2
249.06137	1.8
249.69337	0.2
267.07297	0.8
317.93530	0.2
361.11462	0.3
379.12396	4.3
379.16556	0.4
396.25900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.65493	0.6
57.03449	2.8
58.23648	0.5
59.01380	19.2
64.41914	0.6
67.01904	1.1
68.99823	1.8
69.03465	1.1
69.54208	4.8
71.01390	18.4
72.99316	7.0
73.02952	1.6
75.00878	19.8
76.01223	0.6
83.01395	1.4
85.02957	22.7
86.03285	0.8
87.00882	7.8
89.02457	3.7
93.03449	0.6
95.01398	6.1
98.19827	1.0
99.00898	11.4
103.00392	2.9
111.00892	1.2
113.02463	28.3
114.02834	0.8
115.00384	2.3
117.01949	4.4
127.07667	77.3
128.07991	3.0
129.01990	1.8
157.01448	1.1
175.02542	4.0
187.07671	1.5
189.04060	1.3
205.07103	0.7
231.05067	2.2
249.06146	29.3
250.06532	1.5
257.08215	0.9
267.07175	3.6
273.07791	1.0
317.12701	1.0
333.09830	0.7
359.13483	3.3
377.14529	100.0
378.14868	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	377.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03444	4.7
58.00592	0.9
59.01085	1.5
59.01381	30.6
63.12204	0.7
67.01897	1.9
68.99823	2.9
69.03448	1.0
71.01386	32.1
71.26559	1.4
71.26915	1.2
72.99310	9.6
73.02930	3.3
75.00881	29.1
80.41412	0.6
83.01406	1.2
83.58448	0.7
84.02150	0.7
85.02962	36.5
87.00885	12.7
89.02451	9.6
91.04021	1.6
93.03477	1.2
95.01404	10.0
99.00903	15.7
101.02465	1.2
103.00388	3.8
105.56784	0.7
109.06610	1.1
110.28688	0.8
111.00891	1.9
113.02468	49.8
114.02818	1.2
114.92243	0.6
115.00394	3.4
115.67072	0.7
117.01959	4.4
119.03537	0.9
119.20824	0.8
127.07675	39.5
128.08018	1.7
129.01964	3.1
131.03537	1.4
142.06706	0.8
157.01421	1.3
159.04547	0.9
164.04819	1.2
172.05254	1.4
175.02499	4.4
179.07256	2.0
187.07654	9.0
188.70694	0.7
189.04059	1.3
189.05632	1.6
200.04884	0.8
205.07137	3.6
207.05125	1.8
213.09265	1.1
215.07115	2.0
223.08165	1.3
227.03458	0.9
231.05034	2.6
231.06696	2.5
231.10243	1.3
249.06160	40.6
250.06538	2.4
257.08209	5.7
267.07202	73.3
268.07489	4.4
273.07755	3.7
275.09363	1.0
317.10474	2.4
322.39075	0.7
333.09790	3.3
359.13486	1.9
377.14566	100.0
378.14911	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	40.6
61.98833	69.8
71.01391	14.8
71.71252	2.1
72.99335	2.3
73.02957	3.3
75.00866	1.4
83.01395	1.6
85.02969	5.4
87.00883	4.6
89.02466	11.6
95.05023	1.4
101.02482	7.6
107.05045	2.3
109.02983	2.9
113.02494	5.3
114.29207	1.3
119.03551	4.7
121.03003	1.5
123.04596	1.5
125.02489	2.8
133.02972	15.2
134.03760	3.8
134.32892	1.3
135.04549	87.1
136.04916	2.8
137.02451	4.0
137.28645	1.4
139.04010	3.3
148.05385	1.8
149.02480	1.7
149.06119	12.5
151.04034	3.2
153.01947	20.1
153.09247	1.2
154.08714	1.2
155.07178	1.5
161.02466	83.2
162.02814	7.4
175.04028	2.0
177.05597	27.0
178.02876	2.0
178.05968	1.8
179.03519	100.0
180.03931	5.4
197.08136	1.6
203.03522	2.9
221.04564	42.4
222.04890	4.6
251.05583	38.1
251.62460	1.4
252.05978	2.4
255.06508	1.4
281.06668	78.1
282.06894	7.2
284.06863	1.6
284.26917	1.4
296.07037	2.5
299.09180	5.1
311.09213	6.2
315.07132	8.2
315.78586	1.5
317.12512	2.1
323.07797	3.8
335.20767	2.0
341.08746	85.8
342.09143	10.1
377.08823	2.1
377.14499	4.4
377.19537	2.9
396.68204	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	377.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
57.55687	1.7
59.01382	49.3
61.98833	27.8
71.01387	13.9
71.09484	5.4
72.99305	3.0
73.02950	2.6
75.00890	3.0
85.02972	5.3
87.00875	4.2
89.02453	10.8
91.83086	2.0
97.41695	2.2
100.58212	2.1
101.02451	10.3
101.07152	1.8
102.24674	2.3
107.04998	1.9
109.03030	2.9
111.00939	2.8
113.02487	5.3
119.03498	3.7
121.02973	3.0
122.35299	2.5
126.29591	2.4
133.03004	13.9
134.03731	2.1
135.04550	79.8
135.08176	2.6
136.04874	3.3
137.02451	5.1
143.03577	2.3
149.06108	15.7
153.01974	6.4
154.08791	2.8
155.07158	7.3
161.02470	73.3
162.02858	4.8
177.05582	30.3
178.05943	2.3
179.03531	100.0
179.05130	4.9
179.07137	3.4
180.03859	6.7
221.04564	51.3
221.06454	2.0
222.04892	3.9
240.08827	2.2
251.05608	56.6
252.05904	2.9
281.06689	69.6
282.07031	6.6
315.07156	3.3
317.19800	2.9
323.07666	5.2
341.08746	63.3
342.09125	8.6
343.57483	2.0
377.14407	2.4
377.22058	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07933	0.2
59.01382	100.0
60.01711	1.3
61.98834	0.6
69.63290	1.0
69.63713	1.2
71.01392	3.1
73.02961	0.7
83.01417	0.5
85.02971	1.2
87.00896	0.3
89.02486	0.9
90.98611	0.8
99.00926	0.8
101.02467	2.1
111.04621	0.3
113.02462	1.6
130.78761	0.2
142.06667	0.6
143.10803	4.4
143.11894	0.3
159.03065	0.5
161.04599	2.2
186.05704	0.4
204.06686	1.0
241.16309	0.3
315.18130	1.5
343.29691	0.3
375.17581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	0.7
55.01886	0.8
59.01382	72.6
60.01728	1.5
60.99309	3.2
61.63485	0.6
61.98839	17.2
70.11607	1.4
70.12026	2.1
70.75262	0.6
70.97449	0.6
71.01393	6.7
71.60088	0.7
72.99316	1.2
73.02956	0.8
75.00883	0.7
77.72566	0.6
83.01387	1.6
85.02967	2.5
87.00883	0.7
88.98786	0.7
89.02464	5.5
94.03001	1.0
96.04572	0.8
98.20581	0.6
99.00890	1.0
101.02463	4.1
104.51556	0.7
104.74028	0.6
108.04609	1.2
109.02970	1.4
110.02525	1.1
110.06139	27.7
111.00912	0.9
113.02489	4.6
115.00423	0.8
119.03497	2.5
125.02472	1.2
127.00305	0.7
128.07191	8.0
133.02998	0.9
135.04555	4.0
136.04079	19.1
136.05133	1.0
137.02472	2.0
137.04404	0.9
138.05612	0.7
142.06595	0.8
146.04645	0.9
150.03244	0.7
151.04068	0.6
152.07201	9.2
153.01990	0.8
153.07668	0.7
154.05125	100.0
155.05486	4.6
161.02496	2.9
161.04579	1.5
165.01993	3.0
166.02718	1.3
167.03487	1.9
168.06638	1.7
168.93578	0.6
170.08339	1.5
174.25964	0.7
179.03523	4.1
179.05717	0.8
180.04260	0.7
181.05063	1.2
196.06168	1.3
196.16475	0.6
197.04732	1.1
198.05550	1.1
212.07178	0.9
212.09187	0.7
214.00386	0.8
221.04614	0.9
238.07208	1.5
251.05644	0.9
281.06708	2.6
285.07751	1.2
298.09454	1.1
304.05362	0.6
313.09119	0.7
313.13010	1.0
316.10361	0.9
329.88470	0.6
341.08322	1.5
341.11539	1.0
376.11658	0.9
377.08609	2.6
377.14249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99366	0.2
55.01897	0.2
57.03438	0.2
57.48067	0.2
59.01381	100.0
60.01720	1.0
61.48280	0.2
61.98840	2.5
63.04298	0.2
71.01028	0.4
71.01386	2.8
71.71618	0.2
71.72027	0.2
72.99347	0.2
73.02968	0.8
73.03532	0.2
83.01406	0.5
85.02953	1.4
87.00911	0.2
89.02459	0.5
90.98067	0.2
90.98630	0.7
95.01386	0.4
99.00919	0.5
101.02461	2.9
102.05616	0.3
108.57666	0.2
111.04569	0.8
113.02466	0.9
125.02495	0.2
128.03586	0.7
143.03513	0.2
146.04648	0.8
159.03035	0.6
161.04558	2.2
161.05676	0.2
195.10301	0.3
205.03539	0.2
315.18137	8.8
316.18500	0.9
337.53912	0.2
375.20715	1.7
375.27066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61541	0.2
54.54937	0.2
55.45314	0.2
57.03441	0.3
59.01383	100.0
60.01723	1.2
61.98837	2.2
69.86697	0.6
69.87128	0.7
71.01395	3.0
72.89046	0.2
73.02950	1.1
75.22105	0.2
80.45112	0.2
83.01414	0.5
85.02965	1.4
87.00914	0.2
89.02477	0.5
90.98637	0.7
97.02927	0.2
98.53577	0.2
99.00885	0.5
101.02461	2.8
102.05624	0.5
105.78285	0.2
111.04539	0.4
113.02437	1.4
117.18845	0.2
117.85854	0.2
128.03571	0.6
146.04660	0.6
159.03091	0.4
161.04568	2.2
195.10225	0.3
315.18130	9.4
316.18356	1.2
375.20496	1.9
375.27258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03184	0.7
57.03451	12.7
57.26398	0.6
57.29113	0.6
59.01385	4.7
67.01905	0.9
68.99840	3.7
69.03460	16.5
71.01388	11.9
71.05020	2.3
71.72076	0.7
71.72466	0.9
72.99316	9.2
73.02927	1.1
83.01398	3.4
85.02960	29.8
87.00882	5.7
87.04535	3.3
89.02446	1.5
97.02971	11.7
99.00891	6.0
101.02447	1.3
111.00893	4.2
111.08169	1.9
113.02467	3.2
113.06136	0.9
115.04017	7.5
123.08231	1.4
129.01964	19.8
129.05592	1.0
134.51030	0.7
139.10329	1.1
139.11325	15.4
141.01978	4.3
159.03008	2.4
183.10284	39.2
184.10631	2.2
191.05629	20.0
192.05971	1.0
195.10320	1.5
209.06693	3.3
251.13007	0.9
267.07156	1.4
270.53476	0.8
301.76315	0.6
315.18115	2.8
325.12973	1.8
333.19238	1.4
375.16608	100.0
376.17004	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36216	0.7
55.01868	2.7
57.03439	2.5
58.00583	3.7
59.01380	100.0
60.01724	1.0
61.98833	4.0
67.01894	1.3
69.03450	0.9
70.21410	0.7
71.01388	46.5
71.05033	4.1
72.01717	1.3
72.99305	5.5
73.02962	1.3
75.00887	1.9
83.01390	2.7
83.05029	1.5
85.02958	10.3
85.06605	0.8
85.34935	0.9
87.00890	3.6
89.02455	46.2
95.01398	4.1
95.05014	5.0
96.92915	1.0
97.06602	5.3
98.19836	1.8
99.00900	2.0
101.02460	25.7
107.05059	5.3
111.04581	1.3
113.02460	23.2
115.03984	0.9
115.07673	11.5
119.03526	18.5
123.08210	1.1
125.09800	0.9
125.97060	0.7
129.01894	1.0
131.03554	2.6
133.03000	0.8
134.03758	1.0
135.04491	0.8
136.05305	1.9
137.09775	1.5
137.10802	0.8
139.11307	7.9
143.03503	2.4
149.04593	1.6
149.09749	2.4
151.10081	2.0
151.11311	40.1
152.11710	2.7
153.12833	3.1
155.10831	2.4
157.24750	0.8
161.04631	2.3
164.08496	1.6
167.10741	1.5
169.12372	3.5
177.09178	5.2
179.05603	4.7
179.10570	0.9
181.16046	0.9
185.11885	3.4
189.12871	1.2
193.12376	4.3
195.10281	75.5
196.10568	4.9
209.15431	1.6
211.13464	4.1
211.17000	6.4
213.11328	14.0
214.11597	1.4
227.16554	3.1
231.10258	1.2
233.11700	0.9
249.06097	1.1
253.18098	4.4
255.12453	0.8
255.15973	6.5
257.08347	1.9
267.07288	3.0
271.19153	22.5
272.19647	1.5
273.17065	19.4
274.17459	2.3
297.17148	7.0
315.14676	1.0
315.18134	27.9
316.18506	3.1
333.19226	18.8
333.22925	1.0
334.12866	1.1
334.19867	1.9
375.12558	1.9
375.20364	44.1
375.63141	1.2
376.20776	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	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02880	0.3
54.68905	0.4
59.01382	100.0
60.01721	1.1
61.98842	3.7
71.01385	2.7
71.05672	0.7
73.02976	0.8
82.02779	0.3
83.01374	0.5
85.02988	0.6
89.02483	0.9
97.03120	0.3
101.02451	1.5
107.05062	0.6
110.06155	0.4
111.04492	0.4
113.02503	0.9
116.49133	0.4
120.02197	1.7
123.04550	0.7
125.02523	0.4
135.04518	0.5
136.04054	1.0
138.03250	7.1
139.00403	0.4
139.03510	0.6
149.14484	0.4
151.04062	0.5
152.07254	0.6
153.05600	61.0
154.05084	1.6
154.06190	2.1
159.03044	0.4
159.69731	0.3
161.04602	3.4
164.01265	0.4
165.01927	1.0
166.38751	0.4
167.03436	0.4
170.41887	0.4
175.82191	0.4
179.03540	1.6
180.04308	1.5
194.05824	0.6
195.06606	2.5
198.05551	0.4
201.66122	0.3
213.07645	1.7
256.31454	0.4
304.69388	0.4
308.06702	0.4
315.10739	0.5
375.13388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03448	1.1
58.00589	4.3
58.18814	0.8
59.01381	100.0
60.01714	1.6
61.98820	3.3
70.86159	2.9
70.86520	0.8
71.01390	65.3
72.99323	5.0
73.02949	3.0
75.00887	1.5
80.92645	0.8
83.01383	4.0
85.02966	12.0
87.00887	8.5
89.02456	95.5
90.02797	0.9
95.01427	4.5
99.00882	2.0
101.02458	35.7
102.02811	1.1
108.02187	5.1
111.00890	2.0
113.02468	26.4
117.03480	12.4
119.03521	36.8
119.05033	3.5
121.02975	2.9
122.03737	2.5
123.04536	4.5
125.02452	1.9
131.03534	3.9
133.01538	1.2
133.03001	5.2
134.03745	2.6
135.04524	3.5
137.06114	1.1
143.03531	5.6
145.02977	48.9
146.03777	13.2
147.04559	15.1
149.02483	2.0
149.04539	2.9
150.03241	4.4
153.01929	1.7
161.01108	2.1
161.02469	52.1
161.04449	8.0
162.03252	63.7
163.03900	4.8
164.04706	1.0
165.05594	7.2
174.99265	3.4
177.05591	41.2
178.05884	3.1
179.05655	14.0
180.04312	11.5
181.04640	1.2
189.01952	3.0
195.06642	21.0
196.07018	1.1
213.07716	2.5
216.05618	0.8
217.00316	17.0
275.00180	0.9
291.09030	0.8
357.11929	11.5
358.11859	1.0
374.99365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.7
60.01714	1.0
61.98837	1.6
64.32046	0.3
66.60149	0.3
69.48820	2.8
72.99333	0.3
73.02941	0.3
90.97179	0.8
92.61108	0.3
111.04562	0.3
114.98888	1.5
117.00511	0.3
118.96650	0.5
132.98215	2.6
156.99962	3.0
159.01482	0.3
171.97318	0.8
173.01250	0.4
174.99275	26.9
175.99654	0.8
201.02586	3.4
202.02835	0.8
217.00319	100.0
218.00658	4.4
218.98248	0.5
232.99765	0.4
290.97372	0.4
314.98917	2.0
332.98358	0.5
374.99265	8.8
375.99606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52815	1.0
57.03451	1.4
57.14758	1.0
58.00600	5.1
59.01381	100.0
60.01713	2.1
61.98832	3.1
71.01389	69.4
71.05985	3.2
72.99314	5.9
73.02959	3.9
75.00887	1.2
83.01406	2.3
85.02965	11.4
85.81149	1.0
87.00882	7.1
88.88157	1.0
89.02457	95.0
90.02810	2.0
95.01418	3.7
99.00938	1.1
101.02462	33.0
101.28180	0.9
108.02188	1.1
113.02472	23.5
113.03244	1.5
117.03487	8.6
119.02646	1.7
119.03525	34.1
119.04989	2.1
121.02949	1.9
122.03785	2.5
123.04601	2.5
125.02467	1.5
131.03511	4.9
133.03006	3.1
134.03796	1.1
135.04590	2.9
143.03517	7.0
145.02983	29.5
146.03810	7.5
147.04553	8.9
149.02455	1.8
149.04578	3.7
150.03249	12.3
153.02000	1.7
160.80664	1.0
161.02477	31.8
161.04514	6.1
162.03264	35.9
163.03949	2.1
163.89568	1.3
165.05582	15.3
166.66861	1.1
174.99219	1.9
177.05614	23.0
178.05927	1.2
179.05637	17.5
180.04372	7.1
181.05008	1.2
189.01959	1.5
195.06668	15.0
196.07042	1.8
213.07677	2.4
217.00314	7.3
219.51219	1.0
315.04236	1.2
357.11868	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	374.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.8
59.01378	41.7
61.98829	22.5
68.15802	0.4
69.22272	0.5
70.84097	0.4
71.01390	9.5
71.41079	1.0
72.99315	2.4
73.02956	1.1
75.00877	1.5
81.03468	0.8
82.02975	0.7
83.01411	1.2
85.02953	3.5
87.00887	2.0
88.98760	0.5
89.02455	11.1
91.19659	0.5
94.15900	0.6
95.01411	0.6
96.96015	0.7
96.96943	0.8
99.00863	0.9
101.02444	7.0
108.04566	42.7
109.04898	1.6
111.00909	1.4
111.04540	0.8
112.62811	0.4
113.02474	5.5
117.03492	0.8
119.03526	5.4
120.61829	0.4
121.02983	0.9
122.02515	0.7
123.04542	1.0
124.04827	0.7
125.02457	1.2
126.05621	1.6
132.98222	0.5
133.02957	1.6
134.03870	0.7
135.04510	2.2
136.01674	0.7
137.02452	0.9
138.05579	2.9
141.01958	0.7
143.03525	0.9
145.02942	3.4
146.03757	0.9
147.04530	1.3
149.02454	2.5
149.06123	0.9
150.03252	17.0
150.06508	0.7
151.04024	2.5
152.03549	100.0
153.01962	0.9
153.03897	3.5
153.05649	1.1
161.02455	4.3
161.04591	1.5
161.05960	0.5
162.03242	5.3
164.03528	0.7
164.04779	1.2
165.05582	24.4
166.05098	6.0
167.03554	1.3
168.06720	1.0
174.99272	2.8
176.03529	1.0
177.01938	0.9
177.05585	3.5
178.06247	0.5
179.05627	1.9
180.04295	1.5
181.04951	0.6
183.22211	0.4
189.05597	2.2
192.84595	0.6
194.04512	5.7
194.99329	0.5
195.06619	4.1
197.04518	0.7
207.08627	0.7
212.06769	0.9
213.07695	7.8
217.00308	14.1
315.03986	0.9
327.10950	1.1
339.13141	2.4
357.12018	1.9
372.84827	0.7
374.10828	2.0
374.99316	0.9
375.09485	0.9
375.13089	2.1
375.18204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92786	0.8
55.01880	1.0
56.47224	0.8
57.03446	1.6
59.01382	100.0
60.01709	1.1
61.98832	4.7
69.51181	8.0
71.01389	18.7
71.68076	0.7
72.99332	1.3
73.02953	4.3
83.01399	3.1
85.02973	7.3
87.00948	0.9
89.02450	5.1
97.03011	1.0
99.00906	2.8
101.02460	14.0
111.00900	0.9
113.02475	6.7
119.03542	2.0
127.57571	0.8
131.70163	0.8
137.02417	1.0
141.09286	1.1
159.03003	1.5
161.04585	8.4
174.02060	1.4
206.04646	1.3
209.11855	2.1
225.14964	53.6
226.15314	4.3
227.12920	1.0
253.14354	1.3
269.13983	10.1
270.14365	1.2
281.55807	0.7
287.15082	1.2
329.12305	1.2
329.16022	6.8
331.17700	1.7
373.18686	2.1
373.22665	1.9
395.53671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71265	0.7
55.01891	4.5
55.02094	0.9
57.03448	7.0
58.00595	3.2
59.01380	83.3
60.01709	1.2
61.98828	5.7
69.03472	1.3
71.01386	70.4
71.71640	1.1
72.01710	1.1
72.99320	5.1
73.02948	23.1
74.99109	0.9
75.00883	1.7
80.18787	0.9
83.01396	10.9
83.05060	1.7
83.64410	0.7
84.02184	1.3
85.02439	1.5
85.02962	32.0
86.00114	0.8
87.00888	2.7
87.04576	0.8
87.70904	0.7
89.02454	12.6
93.03416	0.8
95.01379	4.8
95.05048	1.4
96.74989	0.8
97.02973	2.5
97.06623	1.6
99.00903	10.9
99.04550	1.4
101.02457	53.6
109.06675	1.1
111.00896	1.3
111.04523	3.2
113.02463	28.8
113.09752	1.8
113.83934	0.9
119.03516	4.4
120.94527	1.0
121.02943	1.2
121.06602	1.6
122.03790	1.4
123.04514	2.3
123.08170	1.6
125.02479	8.4
125.06059	1.3
125.09740	1.1
127.07740	0.8
129.01929	1.0
134.03767	1.1
135.04523	2.6
135.11852	1.0
136.05351	7.6
137.02519	1.4
137.06102	1.0
137.09680	2.1
142.82077	1.0
143.03539	3.5
145.32280	0.9
149.06062	2.0
149.09747	2.8
151.07698	1.4
151.11331	1.7
152.04852	2.5
153.09268	3.6
153.12874	2.3
155.10747	1.6
159.03015	5.7
161.04593	31.3
162.04904	2.0
163.11324	3.7
165.09331	0.9
165.12862	12.4
167.10768	1.9
175.11325	10.5
177.03354	1.1
177.09309	1.1
177.12880	4.3
178.09999	3.5
178.13188	1.1
179.10803	25.5
180.11111	1.3
180.64355	0.8
181.05112	1.1
181.12428	1.0
191.14429	0.9
193.12361	60.9
194.12698	4.1
197.11874	1.8
204.11327	0.9
205.03560	1.1
205.12343	1.6
207.13962	1.0
209.11864	9.7
211.13348	1.0
211.16951	1.9
214.04410	0.9
219.10329	1.5
221.11827	9.1
231.10303	3.6
233.11743	1.5
237.11327	100.0
238.11737	7.4
249.11333	4.2
269.17673	1.4
277.10767	1.7
293.14011	1.1
313.16556	2.2
327.14493	32.5
328.15063	2.0
331.17416	4.5
337.12885	5.8
345.20276	1.0
355.14023	32.5
355.18411	1.9
356.14514	4.7
373.15070	47.0
373.22598	10.7
374.15424	6.2
374.22760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65028	0.6
54.41916	0.6
55.01884	0.9
55.41833	0.6
57.03456	2.4
58.00614	1.3
58.87316	0.6
59.01383	14.3
61.98842	5.4
67.01900	1.1
68.99824	3.3
69.03456	1.6
71.01392	16.3
71.01764	1.2
71.41849	1.5
72.99325	4.7
73.02959	2.4
74.44450	0.6
75.00884	14.3
81.03460	1.9
83.01398	1.8
85.02442	0.9
85.02964	17.6
87.00887	7.2
88.01220	1.0
89.02465	3.5
91.04020	1.1
95.01398	4.5
97.02970	1.0
99.00906	8.2
103.00376	1.6
104.33707	0.6
109.02965	0.7
111.00897	1.6
111.04552	0.9
113.02480	19.2
115.00420	1.2
117.01958	2.3
121.02927	0.8
122.02504	64.6
123.02847	2.7
123.04576	2.1
125.02497	1.0
129.01955	1.9
144.80196	0.6
148.05324	1.2
149.02393	0.7
149.05907	0.6
150.06429	1.3
151.04024	1.4
153.01924	0.7
157.01427	0.8
162.06467	0.7
165.05524	0.9
167.03461	0.9
175.02486	2.1
176.04590	0.7
193.04950	1.0
209.06679	1.2
210.07056	1.0
231.05109	5.3
236.06534	3.0
247.06129	0.8
248.06482	1.4
249.06160	100.0
250.06497	6.3
265.07144	0.9
266.07529	3.5
282.56216	0.7
283.08139	1.7
326.09708	1.4
354.89450	0.7
372.09488	42.5
373.09827	4.6
388.56186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Citrifoside
Peak:m/z	Relative Intensity
55.01882	0.6
57.03444	0.7
58.00603	0.7
59.01379	20.8
61.98831	39.4
62.82836	0.4
71.01382	11.0
71.26716	0.9
71.40289	0.4
71.87466	0.4
72.01727	0.4
72.99319	1.3
73.02954	1.0
83.01402	1.3
85.02959	2.3
87.00879	0.7
89.02454	10.8
95.01410	1.4
98.03514	0.4
99.00902	0.7
101.02457	8.1
108.02184	9.2
109.02996	0.7
111.00890	1.5
113.02475	4.0
119.03509	4.7
121.02950	0.9
122.03724	1.2
123.00922	4.0
123.04552	4.2
124.01727	2.5
125.02458	0.8
125.06151	0.6
127.05080	0.5
133.02943	1.1
134.03749	0.5
135.00890	0.5
135.04472	0.9
136.01704	1.7
137.02423	1.3
137.06100	1.8
139.00372	0.7
143.03528	0.5
147.04510	0.4
148.01602	0.4
149.02463	2.5
149.06116	0.8
150.03239	9.6
151.04097	2.2
153.02003	2.1
153.05637	0.4
161.02489	2.1
161.04495	0.4
163.03993	0.7
164.04781	0.4
165.01917	1.0
165.05627	2.1
166.02684	0.6
167.03481	0.5
168.04297	0.9
169.04971	0.4
177.01913	2.6
178.02731	45.2
179.03072	2.6
179.05547	0.5
181.05136	0.6
189.05605	1.3
193.05077	100.0
194.05411	7.0
204.06595	0.5
211.06067	0.6
229.93042	0.4
311.07541	0.4
330.09970	0.6
355.10440	1.4
373.07379	0.7
373.11435	8.5
373.20129	1.1
374.11807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01871	0.9
57.03450	5.3
58.00595	0.7
59.01381	19.7
67.01881	0.8
68.99825	0.6
69.03453	1.1
71.01391	16.5
71.20741	1.6
72.99311	7.7
73.02942	3.1
75.00882	18.4
76.19679	0.5
83.01388	1.4
84.02177	1.0
85.02959	28.5
86.03223	0.6
87.00883	10.7
89.02471	4.3
95.01404	5.4
99.00896	11.7
101.02464	1.5
103.00398	2.8
109.70594	0.6
111.00886	1.9
113.02466	28.3
113.43581	0.5
114.02838	0.9
115.00359	2.8
117.01955	4.1
121.02972	100.0
122.03305	3.8
129.01964	7.5
131.03561	1.0
132.16289	0.6
134.03746	0.6
135.04538	5.8
145.60637	0.6
157.01451	1.3
159.02977	1.3
160.67024	0.5
161.02435	1.7
175.02504	4.1
179.02026	0.6
179.03529	2.6
180.44043	0.7
180.93600	0.5
193.03539	2.0
208.01649	0.7
209.06676	33.7
210.07016	1.8
231.05032	3.2
249.06152	23.2
250.06558	1.7
251.23183	0.5
311.07764	0.8
317.05911	0.6
340.77344	0.6
353.08893	2.7
368.63470	0.6
371.09839	91.6
372.10147	10.1
372.36490	0.6
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
55.01874	0.5
57.03445	2.2
58.00597	0.5
59.01384	14.9
61.03632	0.4
67.01893	0.9
68.99830	1.9
69.03458	1.3
71.01390	13.5
71.06951	0.5
72.99320	4.1
73.02952	1.7
74.46685	0.5
75.00881	16.8
81.03438	0.6
83.01387	1.3
85.02962	18.0
87.00872	5.4
89.02465	4.0
91.03980	0.9
93.03455	1.3
95.01398	4.8
98.19856	1.2
99.00896	9.9
103.00390	2.8
109.02964	0.7
111.00861	1.4
113.02469	29.7
114.02701	0.6
115.00397	1.7
117.01952	3.6
121.02975	98.5
122.03325	3.9
129.01987	1.6
157.01497	1.0
175.02493	4.3
189.04053	0.7
229.23981	0.6
231.05061	9.3
249.06154	100.0
250.06497	5.1
311.07849	1.1
353.08655	2.8
371.09860	99.7
372.10165	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
56.97934	0.7
57.03456	5.9
59.01381	12.1
60.59440	0.8
61.98835	2.8
68.99800	0.7
69.03465	0.8
70.35558	1.6
70.35965	0.9
71.01385	6.0
72.96259	0.6
72.99304	2.0
73.02943	1.5
75.00869	2.2
76.40520	0.7
80.97978	0.6
82.49274	0.7
83.01394	1.5
84.02168	1.8
85.02960	24.3
85.59178	0.6
87.00398	0.7
87.00888	8.0
87.04512	0.6
89.02460	2.3
93.03473	1.0
97.02952	1.4
99.00912	3.4
101.02464	3.8
108.02187	0.8
111.00902	4.3
113.02457	2.6
121.02962	5.5
122.06113	0.8
123.04546	1.1
129.01062	1.1
129.01961	15.1
133.02951	2.6
134.03746	2.8
135.04541	15.4
137.02475	1.3
141.01936	0.8
142.05125	0.9
149.02444	2.5
150.03281	3.2
150.06891	0.7
151.04027	1.0
152.01208	1.2
152.07230	0.7
153.01978	0.9
159.03001	3.6
161.02463	6.3
161.04547	1.3
164.04778	1.4
164.08450	6.9
165.05547	1.7
165.08763	0.6
166.05045	1.0
167.03479	2.2
175.02466	0.8
176.01146	2.0
177.01915	1.3
179.02100	0.6
179.03537	9.8
179.30258	0.6
180.06563	0.6
191.03510	3.0
191.05586	1.1
192.04318	1.0
193.01399	0.9
193.05055	1.1
194.02225	1.8
195.05072	1.4
209.04611	7.8
209.06650	100.0
210.07027	4.9
223.06094	2.7
224.04800	0.9
225.05049	1.4
238.10811	0.7
249.06061	1.1
251.05678	4.0
281.06662	2.8
311.07874	4.6
371.09729	12.2
371.13382	1.3
372.10388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35907	0.6
59.01381	0.5
61.98832	3.3
67.05537	0.7
70.27898	2.3
71.05019	0.9
72.99303	0.7
74.00702	0.9
81.46091	0.5
81.72444	0.6
90.12010	0.6
93.84547	0.6
100.00421	5.0
106.28539	0.6
116.05079	2.2
121.06610	16.5
130.06696	1.1
139.07669	36.5
140.07965	1.4
142.06641	100.0
143.06989	6.5
158.06136	4.9
161.06062	1.5
176.08383	1.1
177.09254	1.2
183.06641	63.3
184.06993	2.7
186.05623	41.1
187.05956	2.1
193.02924	2.7
204.06676	16.8
205.07028	1.3
219.13902	7.2
235.13411	1.4
272.70801	0.6
325.18369	0.8
327.19684	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	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67545	0.4
59.01374	0.6
61.98835	100.0
66.92277	0.4
70.57214	0.9
70.57604	0.9
73.67448	0.4
104.30264	0.4
146.15192	0.5
174.45915	0.4
175.07698	0.4
226.67216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.98835	100.0
70.56944	0.8
102.85716	0.2
121.02981	6.0
179.03519	0.6
371.07724	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93140	0.3
55.01877	0.5
57.03446	5.6
59.01374	4.8
59.77383	0.3
64.18653	0.3
65.24688	0.3
68.99804	0.7
69.03468	0.3
70.86841	0.6
70.87197	0.7
71.01391	2.4
72.99337	0.3
73.02954	0.8
74.61362	0.3
83.01396	1.4
84.02180	1.5
85.02956	18.1
85.53374	0.3
86.03283	0.4
87.00886	6.9
87.04544	0.5
89.02465	1.4
97.02949	0.7
99.00909	1.2
101.02489	1.0
101.95686	0.3
111.00883	2.4
113.02447	0.3
114.08292	0.3
115.03973	0.3
125.73744	0.3
129.01962	13.0
133.02962	1.1
134.03772	0.8
135.04546	11.7
136.04814	0.6
141.01959	1.4
145.20567	0.3
149.06110	0.4
159.02982	3.3
161.02469	3.1
166.04984	0.3
179.03523	7.9
180.03824	0.5
191.03641	0.3
191.05638	0.8
199.00922	0.3
203.03409	0.4
209.06676	100.0
210.06967	4.8
371.09790	2.7
372.10138	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	369.2437
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
56.12848	0.2
59.01370	0.6
59.29647	0.2
61.98833	0.3
65.33508	0.2
72.28008	0.2
80.55647	0.2
98.20579	0.4
108.50460	0.2
122.69814	0.2
137.09732	1.7
138.10057	0.2
168.32222	0.2
187.55217	0.2
307.53967	0.2
342.88351	0.2
369.24356	100.0
370.24689	15.8
371.84518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.70793	1.0
57.03442	3.6
57.75199	0.9
58.00591	3.4
59.01381	100.0
60.01705	1.1
61.43977	0.9
61.98835	23.8
68.84109	0.9
70.19498	5.3
71.01386	45.3
72.99308	5.4
73.02955	3.0
75.00881	1.9
83.01398	2.9
84.02142	1.1
85.02961	18.8
86.03311	1.9
87.00869	6.8
88.98827	1.2
89.02457	57.9
94.28568	0.9
95.01396	2.0
96.54478	1.0
97.03006	1.4
98.20605	1.6
99.00867	2.6
101.02459	24.7
108.46516	1.0
109.02991	1.4
111.00903	2.9
113.02465	16.9
119.02750	1.8
119.03526	21.3
119.05031	1.3
121.02949	1.5
122.06136	1.9
123.04534	2.8
125.02436	1.7
129.01970	5.7
131.03526	1.3
133.02979	1.6
134.03743	2.2
135.04543	10.1
137.02420	1.8
143.03479	2.6
148.05269	1.2
149.02440	3.0
149.04610	2.1
149.06087	3.7
151.64444	0.9
159.03041	2.2
161.02533	6.1
161.04608	5.3
163.04042	1.6
164.07188	41.5
165.05530	1.5
165.07547	2.1
167.03510	2.5
168.06949	0.9
177.01944	2.1
177.05377	1.5
179.03500	7.4
179.05615	11.9
187.69885	1.0
191.06923	1.0
193.04958	1.1
207.06680	1.2
209.02878	1.9
209.06642	36.3
209.08499	2.1
223.04524	1.2
233.04561	1.8
235.06039	1.4
236.06448	2.2
251.05519	2.0
309.65988	1.1
326.12454	37.6
327.12878	4.7
370.11908	1.2
371.09875	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	369.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.3
57.03444	7.8
58.00579	1.4
59.01381	25.9
61.98831	26.7
70.91627	3.9
71.01385	29.7
72.00927	2.0
72.99323	3.2
73.02951	100.0
74.03299	2.6
75.00863	3.5
79.15489	1.3
83.01391	8.0
85.02431	2.3
85.02956	47.1
86.03344	1.1
87.00900	3.4
89.02456	14.6
95.01393	2.7
99.00884	4.3
101.01782	2.1
101.02457	40.8
103.04021	6.0
105.03452	1.7
111.00890	14.8
112.03976	1.3
113.02459	13.1
116.07203	1.7
117.01951	8.2
117.05595	6.6
118.05055	1.2
119.03498	4.0
119.05013	1.7
125.02415	1.6
126.16543	1.1
129.01962	12.2
129.02846	1.7
131.03584	1.6
133.02975	6.7
142.06607	4.1
143.02029	1.3
143.03511	1.9
147.03035	1.8
147.06590	3.4
152.57155	1.3
158.06122	4.6
159.03006	3.5
161.04579	24.3
163.04034	1.7
164.07155	2.1
169.07750	11.4
170.44244	1.3
181.07764	3.0
185.04788	1.6
190.05107	2.0
199.08827	9.0
205.03514	9.3
207.08685	2.4
223.04593	21.0
224.04828	1.4
237.09775	15.9
238.10181	1.3
251.05809	1.5
251.11324	20.2
252.11703	1.3
261.08731	1.4
265.09280	1.7
309.11984	14.2
309.15475	1.9
342.96439	1.5
369.14063	21.6
370.14435	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09076	1.2
55.01871	4.8
57.03453	10.6
58.00589	1.6
59.01088	2.2
59.01376	39.9
59.58758	1.2
61.98831	46.0
67.01874	1.8
67.66706	1.2
68.57660	1.3
71.01387	48.3
72.00903	2.8
72.99319	5.4
73.02953	100.0
74.03291	2.9
75.00878	4.8
83.01394	11.1
84.02204	1.7
85.02959	70.8
85.74759	1.2
87.00877	4.7
89.02453	20.2
95.01402	3.3
95.62822	1.2
97.02965	2.6
99.00882	10.0
99.04482	2.4
100.36990	1.5
101.02459	50.3
103.04015	15.2
111.00890	18.8
113.02477	20.0
115.00349	1.8
116.07191	1.9
117.01970	8.9
117.05597	14.4
118.05114	1.9
119.03532	3.7
119.05038	4.3
123.04566	2.4
125.02474	2.6
129.01956	14.5
129.34459	1.2
131.03601	1.9
133.02988	7.5
134.04788	1.9
135.04501	1.7
137.02440	1.7
143.01990	2.7
143.03511	2.7
144.04515	1.6
146.06189	1.3
147.03081	2.0
147.06680	7.2
148.05331	1.4
150.03279	1.2
158.06113	5.4
159.02959	4.0
161.04576	29.1
163.04073	4.2
164.07277	3.1
169.00009	2.2
169.07718	9.6
170.06186	1.4
173.00925	1.7
175.02501	1.8
177.01939	3.8
177.05521	1.6
179.05646	3.0
184.97694	2.6
185.04755	1.6
188.07230	1.4
199.08809	7.1
202.05026	1.5
205.03545	12.2
206.04303	2.8
212.98872	4.3
223.04570	29.1
224.04964	1.8
226.98769	2.4
236.05678	1.4
237.09796	27.2
238.10020	1.7
251.11337	19.9
252.11696	1.5
265.09225	3.1
273.37616	1.4
308.04431	1.5
309.11911	26.8
310.12469	1.5
326.05661	1.6
326.12335	2.2
331.12210	1.6
342.96567	5.0
369.09836	2.2
369.14008	44.0
370.14468	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	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03180	0.7
57.03450	12.4
58.00594	0.6
59.01383	20.8
61.98820	2.2
66.51449	0.5
67.01883	0.7
68.99823	0.7
70.91139	1.0
70.91501	1.6
71.01389	9.4
72.99318	1.7
73.02943	2.5
73.60360	0.6
75.00887	3.1
83.01395	7.8
84.02168	2.3
85.02962	69.7
86.03296	2.0
87.00891	2.0
89.02457	1.2
99.00900	1.4
101.02462	8.5
104.04842	0.6
105.03521	0.7
111.00900	31.9
112.01257	1.2
114.32665	0.6
115.00327	0.7
119.05051	4.7
123.04527	1.5
129.01964	26.5
133.02957	4.2
135.02965	0.8
135.04532	0.9
143.03516	0.8
145.03004	0.7
147.02994	2.4
150.03145	0.9
161.04538	2.4
163.00386	1.5
163.04008	2.2
173.00951	1.5
174.01698	2.1
175.02492	1.4
177.01917	1.2
187.02519	1.5
190.99898	1.7
197.91013	0.7
205.03548	30.7
206.02179	1.9
206.03903	1.8
207.02972	0.7
207.06647	1.3
221.08241	1.0
223.04602	100.0
224.04929	5.6
264.06274	0.7
309.15759	0.8
369.08234	5.6
369.12119	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	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
56.85889	0.8
57.03448	18.7
57.35704	0.9
59.01379	5.6
61.98827	7.5
63.81951	1.0
67.01884	2.1
71.01382	8.9
71.04687	1.0
71.05017	1.9
72.99289	4.4
73.02942	4.1
74.74588	0.9
75.00874	3.3
80.39075	1.0
80.53722	1.0
83.01395	9.7
84.02164	1.9
85.02959	100.0
86.03283	3.2
87.00876	2.1
92.31597	0.8
93.03459	1.3
95.05019	2.9
97.02952	1.0
99.00896	2.4
101.02461	7.0
103.04035	1.3
105.03479	10.4
109.02975	1.0
111.00899	34.3
112.01253	1.1
119.05032	8.4
122.03711	1.2
123.04552	7.1
125.02470	2.8
125.06140	1.0
129.01961	42.6
130.02316	1.1
133.02972	49.0
134.03282	3.3
149.02496	2.1
150.03244	4.9
151.03975	1.9
161.04546	3.5
163.04025	8.8
169.05045	1.4
173.00946	1.4
175.03995	1.0
177.01938	17.1
178.02423	1.5
191.05595	2.9
191.07164	1.1
195.02989	1.9
205.03557	27.1
206.03896	2.3
207.06564	1.4
223.04587	52.2
224.05008	2.5
325.09186	1.3
369.08273	5.4
369.12341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03455	13.0
57.82315	0.7
59.01380	5.3
61.98825	1.5
67.01907	0.9
68.95536	0.6
68.99818	1.3
69.39574	5.7
69.39989	2.5
71.01378	7.9
72.99313	2.5
73.02943	1.6
73.44434	0.7
75.00879	3.0
76.05143	0.7
83.00944	1.1
83.01399	8.0
84.02187	2.0
85.02962	73.9
86.03283	1.1
86.42162	0.7
87.00883	3.1
96.96027	1.6
99.00894	2.5
101.02453	7.7
103.00359	0.9
103.04016	1.0
103.72637	0.7
105.03482	1.7
111.00899	32.4
112.01229	1.4
113.01377	1.2
117.01904	0.9
119.05027	5.1
122.06113	1.6
123.04525	1.7
127.96940	0.7
129.01961	24.8
131.03535	2.3
133.02972	7.9
135.02980	1.7
143.03540	1.3
145.01445	4.1
145.03026	1.0
147.03000	2.6
148.20845	0.7
149.02437	1.8
161.04590	1.7
163.04004	3.7
164.07228	1.4
164.94020	0.8
165.05588	1.0
173.00963	2.0
175.02576	1.4
177.01920	2.5
187.02531	1.8
189.05594	1.1
192.00647	1.3
195.02872	0.9
201.78572	0.7
205.01610	1.3
205.03549	26.9
205.64038	0.8
206.03847	1.8
207.02911	1.4
223.04593	100.0
224.04932	5.8
324.95224	0.7
369.08176	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	368.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21434	0.2
50.64708	0.2
54.35312	0.2
55.01876	0.3
57.03456	1.2
58.00570	0.2
59.01383	3.7
61.98835	100.0
64.71085	0.2
68.99829	0.3
71.01392	2.1
71.05019	0.8
71.70702	0.2
71.71080	0.3
72.01392	0.2
72.01747	0.4
72.05353	0.2
72.99311	0.4
73.02941	0.5
75.00887	1.5
75.53757	0.2
76.01201	0.2
81.03495	0.2
83.01408	0.7
85.02963	5.1
85.03444	0.3
86.03310	0.3
86.10645	0.2
86.70341	0.2
87.00903	0.6
89.02464	0.8
95.01434	0.4
99.00897	0.5
101.02463	0.8
101.93719	0.2
109.02980	0.4
111.00914	2.2
113.02492	1.0
114.02783	0.3
117.05596	2.7
118.05943	1.1
119.05062	0.3
124.01727	0.3
125.02464	2.9
129.01967	1.5
131.03505	0.2
133.02943	0.5
135.03004	0.3
137.02458	1.1
139.04076	0.8
140.90340	0.2
148.05258	0.4
149.02457	0.3
151.04066	0.3
161.02440	0.2
161.04663	0.4
163.04045	0.4
165.01981	0.8
167.03543	0.8
175.02565	0.2
177.02103	0.3
177.05576	0.2
179.03542	0.5
203.93701	0.2
205.03560	1.4
219.06685	0.6
221.04701	0.2
223.04622	4.0
223.06689	0.2
237.07924	0.2
249.06155	1.9
250.06505	2.9
251.05685	0.3
261.07498	0.3
305.06668	5.0
306.07129	0.7
308.14154	0.2
309.15689	0.6
368.12881	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	368.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60661	0.2
59.01376	0.9
61.34176	0.2
61.98835	100.0
70.98725	0.2
74.02486	0.3
83.87615	0.2
85.02969	0.3
97.04080	0.3
97.06623	0.5
100.00423	0.2
109.04071	0.3
111.00936	0.3
117.03513	0.6
119.05065	0.3
121.03006	0.6
133.75166	0.2
145.02997	0.8
174.01765	0.3
178.84795	0.2
179.08305	0.5
180.08678	0.3
183.13942	0.8
227.03592	0.9
227.12967	0.3
230.08153	0.3
255.02943	1.1
272.67108	0.2
284.03311	0.8
368.12119	0.2
369.09052	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	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63724	0.4
51.77758	0.4
55.01875	0.8
57.03453	1.3
58.00602	0.7
59.01126	0.5
59.01383	20.8
61.98835	100.0
67.01897	1.0
68.99838	1.5
69.03469	1.7
71.01392	14.1
71.05026	8.8
71.19193	0.9
72.99313	3.0
73.02953	2.0
74.02473	0.4
75.00882	12.5
75.01286	0.7
81.03468	0.8
83.01417	1.9
85.02965	11.9
87.00882	3.5
87.04510	0.4
89.02459	6.5
93.03488	0.6
95.01409	2.9
99.00896	5.5
101.02460	4.4
103.00369	1.1
103.04063	0.7
108.02208	0.9
109.02967	1.1
111.00909	7.4
111.04533	0.4
113.02467	11.9
114.05683	0.5
115.00414	0.9
115.04029	0.7
116.92852	0.8
117.01984	1.6
117.05598	44.3
118.05933	1.3
119.03519	1.0
119.05056	0.7
121.03016	0.5
123.04572	0.9
124.01744	0.5
125.02450	3.5
129.01974	1.3
137.02490	0.8
139.04059	1.0
148.05296	0.6
152.01213	1.3
153.01996	1.0
153.37935	0.5
154.02740	0.4
154.99881	1.0
161.04584	3.0
161.05870	0.6
163.04083	0.5
164.02496	0.4
165.01965	0.7
165.05629	0.5
167.03549	1.7
169.05077	0.5
173.00964	1.6
175.02513	1.3
177.05571	0.5
179.03534	0.6
179.05603	0.7
183.60135	0.4
219.06699	0.7
231.05109	1.6
249.06157	49.2
250.06458	3.2
251.11389	1.4
261.07651	0.5
267.10852	0.7
285.06403	1.1
305.06647	4.8
307.14032	3.9
308.14008	0.4
367.12485	32.2
367.20041	0.8
368.12939	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	367.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26093	1.2
52.38247	1.0
52.61167	1.2
59.01383	3.2
61.98833	100.0
66.11868	0.9
66.37646	0.9
67.27206	0.9
68.46159	1.1
71.35984	1.9
73.91803	1.1
75.60004	1.0
87.98219	1.0
111.00893	1.4
139.23816	1.0
240.40514	1.2
276.21063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01381	100.0
60.01722	1.8
61.98833	3.1
65.37022	0.6
70.58541	1.3
71.01389	13.0
72.99336	0.7
73.02948	4.2
74.91222	0.6
75.00896	0.9
83.01414	1.7
85.02962	8.6
87.00891	0.9
89.02473	2.5
95.01424	1.6
99.00900	2.2
101.02465	10.5
111.00899	13.5
113.02472	6.8
115.07682	3.3
116.08011	1.5
117.08061	0.7
119.03473	0.7
125.02512	0.9
129.02014	1.1
134.03778	1.3
143.03568	0.8
147.04544	0.8
148.48392	0.5
154.99898	1.3
159.03036	1.7
161.02512	0.8
161.04582	16.5
161.05853	0.9
169.90875	0.7
173.00917	4.8
175.04106	0.8
193.05139	0.8
242.86246	0.5
307.17633	31.8
308.18106	2.6
367.14841	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	367.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28114	0.5
57.03453	0.7
57.32896	0.5
58.00600	0.8
59.01382	6.0
61.98819	0.7
66.61311	0.5
67.01891	9.5
69.03471	0.6
70.23273	1.7
70.23683	1.1
71.01388	5.6
71.05033	1.0
72.27259	0.5
73.02962	1.3
75.00871	0.7
78.91924	0.5
81.03461	0.8
83.01405	1.3
85.02966	3.1
87.00874	1.2
89.02447	2.9
98.20603	0.7
99.00919	1.1
99.04536	5.4
101.02463	1.7
108.02216	0.8
111.00903	100.0
112.01218	4.0
113.02454	3.4
115.02119	1.8
115.04037	2.2
116.18417	0.6
117.05586	1.8
119.03574	0.6
123.04559	1.2
125.02484	0.9
127.02185	0.6
129.01982	0.7
142.99896	0.9
143.03528	50.9
143.07161	2.0
144.03865	2.5
150.05684	0.7
152.01253	1.1
154.99968	0.8
157.03166	1.2
161.04607	1.3
167.03549	2.8
169.01424	0.7
173.04605	0.7
175.06148	1.0
187.02493	1.4
187.04204	2.1
187.06122	2.8
187.10966	1.5
188.09268	0.8
249.06177	2.7
277.07327	1.7
342.99698	0.6
352.70560	0.7
367.10172	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	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90238	0.3
57.75382	0.3
59.01384	2.3
63.98605	0.3
67.01889	3.7
67.56342	0.3
69.11317	0.3
69.48855	3.0
71.01379	0.4
72.99321	4.3
73.02975	0.5
83.01395	3.3
85.02961	14.3
86.06005	0.3
99.00900	0.8
101.02470	1.7
111.00899	100.0
112.01234	4.0
117.01984	0.4
129.01962	4.5
134.03749	1.0
154.99893	15.5
156.00238	0.6
173.00931	39.0
174.01302	1.3
187.07751	0.7
191.02000	3.1
192.02310	0.4
193.63405	0.3
195.88882	0.3
231.10306	0.5
249.06165	0.5
307.17538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28114	0.5
57.03453	0.7
57.32896	0.5
58.00600	0.8
59.01382	6.0
61.98819	0.7
66.61311	0.5
67.01891	9.5
69.03471	0.6
70.23273	1.7
70.23683	1.1
71.01388	5.6
71.05033	1.0
72.27259	0.5
73.02962	1.3
75.00871	0.7
78.91924	0.5
81.03461	0.8
83.01405	1.3
85.02966	3.1
87.00874	1.2
89.02447	2.9
98.20603	0.7
99.00919	1.1
99.04536	5.4
101.02463	1.7
108.02216	0.8
111.00903	100.0
112.01218	4.0
113.02454	3.4
115.02119	1.8
115.04037	2.2
116.18417	0.6
117.05586	1.8
119.03574	0.6
123.04559	1.2
125.02484	0.9
127.02185	0.6
129.01982	0.7
142.99896	0.9
143.03528	50.9
143.07161	2.0
144.03865	2.5
150.05684	0.7
152.01253	1.1
154.99968	0.8
157.03166	1.2
161.04607	1.3
167.03549	2.8
169.01424	0.7
173.04605	0.7
175.06148	1.0
187.02493	1.4
187.04204	2.1
187.06122	2.8
187.10966	1.5
188.09268	0.8
249.06177	2.7
277.07327	1.7
342.99698	0.6
352.70560	0.7
367.10172	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	367.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28114	0.5
57.03453	0.7
57.32896	0.5
58.00600	0.8
59.01382	6.0
61.98819	0.7
66.61311	0.5
67.01891	9.5
69.03471	0.6
70.23273	1.7
70.23683	1.1
71.01388	5.6
71.05033	1.0
72.27259	0.5
73.02962	1.3
75.00871	0.7
78.91924	0.5
81.03461	0.8
83.01405	1.3
85.02966	3.1
87.00874	1.2
89.02447	2.9
98.20603	0.7
99.00919	1.1
99.04536	5.4
101.02463	1.7
108.02216	0.8
111.00903	100.0
112.01218	4.0
113.02454	3.4
115.02119	1.8
115.04037	2.2
116.18417	0.6
117.05586	1.8
119.03574	0.6
123.04559	1.2
125.02484	0.9
127.02185	0.6
129.01982	0.7
142.99896	0.9
143.03528	50.9
143.07161	2.0
144.03865	2.5
150.05684	0.7
152.01253	1.1
154.99968	0.8
157.03166	1.2
161.04607	1.3
167.03549	2.8
169.01424	0.7
173.04605	0.7
175.06148	1.0
187.02493	1.4
187.04204	2.1
187.06122	2.8
187.10966	1.5
188.09268	0.8
249.06177	2.7
277.07327	1.7
342.99698	0.6
352.70560	0.7
367.10172	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	366.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45912	0.2
59.01380	1.5
59.96062	0.3
61.98833	100.0
69.53954	2.1
71.01384	0.7
72.99323	0.8
85.02973	0.8
89.02477	0.9
98.14651	0.2
99.00895	0.4
101.02437	0.2
111.00896	0.6
112.98821	0.9
117.01980	0.3
117.43665	0.2
125.06187	0.3
135.03001	0.4
142.99918	0.8
143.03537	0.3
149.06140	0.3
153.05650	0.4
167.07182	0.4
173.00961	1.0
174.01709	1.5
193.05128	0.5
238.14507	0.2
244.57973	0.3
271.08310	0.3
338.22379	0.3
344.89032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58517	0.2
57.45056	0.2
59.01377	1.6
59.98154	0.2
61.98851	0.2
67.01899	3.8
69.40073	2.4
69.40489	0.5
71.32935	0.2
72.99321	3.0
77.38549	0.2
79.14841	0.2
80.70358	0.3
83.01395	2.9
85.02965	16.0
86.03300	0.3
87.25338	0.2
98.19925	0.5
99.00912	0.7
101.02434	1.1
103.29612	0.2
106.65987	0.2
111.00902	100.0
112.01231	3.0
113.39626	0.2
116.95674	0.2
129.01042	0.5
129.01962	4.9
130.02274	0.2
134.03754	0.8
142.06651	0.4
143.06992	0.3
154.99893	12.8
156.00224	0.5
167.03514	0.6
173.00938	30.7
174.01291	0.7
187.07672	0.4
193.05066	0.4
238.22000	0.3
367.12381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.3
59.01379	3.4
61.98834	100.0
62.61795	0.3
65.66379	0.3
69.76595	2.1
71.01397	0.8
72.99294	0.5
83.01411	0.4
85.02956	2.3
89.02475	0.4
94.86942	0.2
96.34548	0.3
98.19900	0.3
101.02465	0.7
111.00900	11.0
111.89944	0.3
113.02451	0.3
119.03519	0.3
129.02007	0.4
150.73264	0.3
154.99896	1.7
173.00938	4.2
193.05223	0.3
319.48410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18560	0.2
59.01378	3.5
60.01721	0.6
61.98832	100.0
62.98544	0.3
71.01389	1.6
71.71918	0.4
72.99320	1.1
75.00887	0.5
78.85938	0.2
84.91765	0.3
85.02955	1.9
86.03311	0.2
89.02472	1.6
89.16740	0.2
93.25658	0.2
95.04998	0.2
95.56363	0.2
97.06647	0.3
99.00883	0.4
101.02481	0.7
105.43038	0.2
111.00905	3.2
112.98848	1.1
113.02475	0.4
116.07887	0.3
117.01969	0.4
119.03546	0.5
120.58327	0.2
125.06191	0.3
128.03587	0.3
129.01982	0.3
132.76508	0.3
135.03000	0.3
142.99889	0.7
143.03494	0.3
145.02991	0.3
149.02490	0.4
152.03046	0.3
153.05571	0.3
154.99857	0.3
165.05449	0.3
167.07083	0.3
173.00972	1.3
174.01678	1.6
179.05740	0.3
185.11797	0.4
186.12213	0.3
193.05122	0.7
205.05067	0.3
205.08662	0.3
271.08322	0.5
307.17947	0.2
366.15173	0.4
366.19611	0.3
367.10742	0.3
367.17957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.27
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.40258	0.3
58.08433	0.3
59.01372	1.2
69.60430	2.4
69.60839	0.4
70.01433	0.3
76.75558	0.3
85.06595	3.0
100.62958	0.3
129.00917	0.4
176.22507	0.3
199.13419	2.0
251.20071	0.7
261.18570	0.9
279.19669	17.4
280.19962	1.3
347.25955	6.6
348.26242	0.9
363.25430	0.8
365.26987	100.0
366.27328	13.9
366.31921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98833	100.0
63.96313	0.2
69.24119	0.2
70.17973	1.1
71.01382	1.3
72.01727	0.3
72.99319	0.8
75.00890	0.9
75.98450	0.2
85.02971	1.2
86.03296	0.3
87.00900	0.7
89.02482	0.8
95.01385	0.2
99.00912	0.6
111.00920	0.9
112.98816	0.3
113.02435	1.1
114.02811	0.5
115.07674	4.6
116.07994	2.9
116.08639	0.2
117.01956	1.0
124.01744	0.2
125.06075	0.3
138.89737	0.2
139.07715	0.3
141.56403	0.2
142.99884	1.2
153.05612	0.5
154.23802	0.2
163.04007	0.3
167.07239	0.5
173.00964	0.8
174.01765	0.8
193.05173	0.3
199.18646	0.2
225.07761	0.6
249.06235	0.4
250.06613	0.7
271.08466	0.6
293.00052	0.2
348.13940	0.2
366.14856	5.0
366.19180	0.3
367.15170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40464	0.4
55.01878	0.6
57.03446	0.5
58.00596	0.8
59.01382	100.0
60.01721	1.3
61.98830	4.4
67.22686	0.4
71.01389	14.3
72.99316	1.8
73.02960	1.2
74.02481	0.7
75.00873	1.0
83.01407	0.9
85.02960	3.3
87.00923	1.2
89.02454	20.2
90.02807	0.7
95.01413	0.7
96.96066	0.6
99.00912	0.6
101.02462	9.0
101.03089	0.8
105.01962	0.4
108.02207	1.8
113.02474	6.1
115.04046	1.1
116.05080	2.7
119.03516	8.4
123.04571	1.6
125.02523	0.9
125.06171	0.5
131.03545	1.5
134.04779	0.5
143.03566	1.7
149.04649	1.1
152.01221	1.9
159.09383	0.8
160.04063	11.9
161.04602	3.7
167.03511	6.8
179.05652	7.0
185.04633	0.4
203.08272	6.3
203.12994	0.4
204.03075	2.0
204.08636	0.4
249.06165	0.9
267.07242	0.6
305.12335	2.0
329.08923	0.9
349.67142	0.5
365.14063	7.1
365.18536	1.0
366.08484	1.6
366.14255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03452	1.2
58.00589	1.3
59.01383	100.0
60.01717	0.9
61.98840	2.3
69.03471	2.2
71.01391	16.1
71.05025	0.5
72.99316	2.1
73.02950	2.8
75.00878	0.5
83.01402	2.4
84.53979	0.5
85.02956	7.3
87.00903	2.6
89.02457	11.8
89.02998	0.8
93.36607	0.4
95.01412	1.5
97.02979	1.4
99.00909	1.8
101.02464	13.5
101.06098	11.4
101.06750	0.8
111.00919	1.4
113.02469	7.9
115.00385	0.6
119.03504	6.0
129.01898	0.6
135.04538	1.0
142.21004	0.5
143.03490	1.1
146.35750	0.5
149.04596	1.7
157.12373	0.9
161.04599	2.5
165.05605	0.6
179.03421	0.6
179.05614	1.4
182.71701	0.5
185.00833	0.8
185.11862	1.8
202.97839	0.5
203.01973	4.0
203.12886	3.6
205.07312	0.7
305.16080	1.6
347.17081	6.9
348.17365	0.8
353.37704	0.5
365.14758	3.7
365.18228	58.3
366.15005	0.6
366.18597	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86248	0.8
51.16348	0.7
55.01886	1.6
56.97128	0.7
57.03438	2.9
59.01089	1.0
59.01380	17.5
66.00052	0.7
68.99808	1.0
71.01386	17.9
71.11102	2.2
72.99310	6.0
73.02958	1.8
75.00876	17.8
83.01411	0.9
85.02963	22.1
86.03264	1.1
87.00893	7.7
89.02455	4.8
90.00759	0.6
95.01422	5.8
99.00906	10.5
103.00394	3.3
111.00882	0.8
113.02463	30.5
115.00402	1.8
115.07667	100.0
116.07993	3.0
116.47438	0.7
117.01957	3.0
125.56804	0.7
129.01935	1.9
157.01465	1.2
175.02481	3.2
205.07169	3.0
220.31729	0.7
223.08263	1.2
249.06244	6.3
267.07190	6.0
347.13474	2.9
365.14542	97.1
366.14935	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
58.00588	0.7
59.01085	1.1
59.01378	17.4
61.98841	2.6
68.99815	1.3
69.03471	0.6
71.00986	0.9
71.01385	13.6
71.71186	0.5
71.71600	0.6
72.99315	4.5
73.02945	1.6
75.00449	0.8
75.00877	13.9
75.54263	0.5
83.01402	1.1
84.02186	0.8
85.02440	0.9
85.02959	16.5
87.00873	5.5
89.02444	4.2
89.71727	0.5
93.03472	0.7
95.01396	4.2
99.00889	8.1
101.02464	0.8
103.00378	1.9
113.02462	19.9
114.02792	0.5
115.00402	2.2
115.07661	100.0
116.07998	3.1
117.01982	2.7
126.73514	0.5
129.01926	1.4
145.07773	0.8
157.01457	1.2
160.06461	2.2
161.07236	5.2
175.02448	2.8
175.08792	3.6
187.08769	0.7
189.06702	6.4
201.10364	1.2
203.08206	2.3
203.11929	1.8
204.06665	0.9
208.00742	0.5
229.09882	2.9
231.05118	1.9
249.06157	16.4
250.06468	0.9
266.34827	0.6
267.07150	1.6
305.11441	10.0
306.11707	1.2
342.09091	0.6
347.13742	2.4
365.14520	79.5
366.14908	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	365.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
57.03445	8.5
59.01382	19.5
61.95781	2.4
63.16301	2.7
64.52044	2.2
68.99816	2.6
71.01392	46.4
71.70592	2.6
72.99362	2.6
73.02941	5.5
74.51639	2.2
75.00879	2.5
83.01397	8.5
85.02968	7.8
85.06594	3.8
87.00893	10.9
89.02477	3.9
99.00893	39.1
101.02461	8.2
104.28361	2.3
111.00890	23.0
111.04544	3.5
112.98824	100.0
113.02473	5.8
115.00404	7.9
124.98823	7.9
128.07204	3.3
129.01964	18.0
134.04721	2.1
142.99876	90.5
145.01488	5.8
149.04472	2.3
158.08223	3.2
160.04115	2.5
167.03490	4.7
168.79239	2.9
173.00928	95.4
173.04550	10.9
174.01256	2.9
175.02483	2.6
191.05548	4.6
234.09923	2.5
260.48648	2.5
342.38898	2.5
365.10892	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	365.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82508	10.9
59.01382	100.0
60.44294	11.1
61.98833	27.1
62.31402	11.3
63.69408	12.4
71.70947	15.7
95.07183	12.6
100.45068	14.8
111.00881	48.1
134.56851	13.4
165.78957	16.2
167.10815	70.8
171.05957	12.9
203.14943	16.3
327.21902	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03438	1.8
58.00588	0.3
59.01381	13.4
60.01704	0.5
61.98832	11.0
67.01884	0.7
68.99815	0.9
69.03461	0.6
69.39278	0.2
69.39902	2.2
69.40228	0.3
71.01388	12.7
72.57650	0.2
72.99313	4.2
73.02950	0.9
73.20123	0.2
75.00880	15.0
76.01225	0.2
80.07066	0.2
81.03466	0.3
83.01405	0.8
84.02158	0.2
85.02960	16.5
86.03332	0.3
87.00884	6.1
89.02458	3.2
93.03474	0.2
95.01398	4.0
98.20665	0.5
99.00891	9.4
100.01210	0.3
101.02409	0.3
103.00410	1.8
103.53699	0.3
105.73878	0.2
109.02969	0.2
111.00887	0.5
111.04514	0.2
113.02467	19.5
114.02810	0.7
115.00410	1.4
115.07666	100.0
116.08001	3.5
117.01948	2.8
128.88704	0.2
129.01973	1.3
129.07988	0.2
131.03458	0.3
132.35452	0.2
139.00423	0.6
157.01469	0.8
175.02486	2.3
189.04065	0.5
205.07193	0.8
231.05106	1.7
231.81847	0.2
234.47177	0.2
249.06151	15.1
250.06500	1.0
267.07248	2.0
289.13058	0.3
305.12463	0.9
347.13495	2.6
348.14072	0.3
364.03247	0.2
365.14532	69.5
366.14905	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	363.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73499	42.6
54.48068	39.4
59.01388	89.0
61.98838	100.0
70.62933	67.7
70.63331	94.8
81.83672	38.8
87.45715	32.6
89.35010	39.5
97.50668	42.0
145.03145	50.7
145.11324	41.1
161.38138	41.5
164.82381	38.0
193.28729	37.9
230.64293	35.0
299.41571	41.6
335.59564	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	0.3
58.36285	0.3
59.01381	7.9
61.98833	100.0
65.34010	0.3
69.95418	1.7
70.02991	1.6
71.01393	2.7
71.05016	2.0
72.42521	0.2
72.99313	0.5
73.02959	0.5
75.00884	0.7
78.95911	0.3
79.89747	0.2
83.01408	0.8
83.14370	0.3
85.02975	2.1
86.02474	0.7
87.00887	0.5
87.05664	0.9
89.02451	2.3
94.21355	0.2
95.01405	0.4
98.02463	0.3
98.07857	0.3
99.00913	0.5
99.04549	0.8
101.02473	1.6
111.04514	0.4
112.04103	0.5
112.07738	0.3
113.02454	1.6
114.05619	0.3
115.04044	0.8
119.03558	0.7
123.04555	0.3
124.04070	0.3
129.01979	0.3
129.05588	0.4
130.03354	1.2
146.08257	10.6
147.05998	0.4
149.02397	0.3
160.10188	0.3
161.04608	0.6
166.05130	0.4
167.03487	0.6
186.34929	0.3
191.37033	0.3
217.11937	1.9
249.06235	0.5
267.07214	0.6
277.12259	4.6
277.15146	0.5
279.01947	0.5
305.12585	0.4
346.11435	0.4
364.15540	8.3
365.04013	0.4
365.10947	1.7
365.15359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40099	1.3
57.03423	1.6
59.01380	100.0
60.01710	2.2
61.98808	1.8
69.03448	1.7
70.02367	6.3
71.01386	7.0
72.99314	3.3
73.02960	3.1
77.29998	1.1
83.01393	3.1
84.65365	1.0
85.02958	2.8
89.02469	2.5
96.98801	1.3
98.20544	1.6
99.00877	5.3
101.02460	3.8
101.44492	1.4
101.58632	1.2
108.82250	1.1
109.06588	1.6
111.08209	1.6
111.47714	1.2
112.98830	7.2
113.99592	2.2
115.00385	4.8
117.01942	4.9
121.06682	1.8
123.08198	2.8
128.03574	3.7
130.86180	1.2
137.02518	1.3
137.06105	2.2
139.07642	2.3
142.99948	2.6
147.04562	3.7
153.05573	8.1
161.04543	1.2
167.07166	13.4
171.06660	1.3
173.00943	11.1
174.01714	87.3
175.02441	9.8
184.28419	1.4
211.06152	18.3
271.08194	20.3
272.08630	2.6
274.02332	1.2
313.81064	1.2
329.11292	1.4
345.08643	1.5
363.09900	4.9
363.16690	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	363.1816
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
54.25204	0.2
55.01865	0.3
59.01377	0.3
66.96803	0.2
73.63510	0.3
135.08180	0.4
137.09766	1.6
165.05647	1.3
165.09200	0.8
169.11847	0.2
191.02899	0.3
229.55162	0.4
239.14561	0.5
241.15987	32.9
242.16376	3.9
255.17558	3.1
256.17731	0.3
257.19086	14.8
258.19412	2.1
275.20181	4.5
276.20532	0.4
283.17065	3.2
301.18094	49.1
302.18427	6.3
305.04620	0.3
319.19162	5.5
320.19421	0.7
327.16165	0.4
345.17084	12.8
346.17389	2.1
350.80130	0.3
363.18134	100.0
364.18466	14.0
387.20309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
57.75268	1.2
58.00587	1.0
59.01089	2.2
59.01380	40.5
60.01709	1.3
67.01884	2.0
68.99817	2.9
69.03442	1.7
69.45581	1.0
70.27952	1.0
71.01387	36.1
71.71751	1.6
72.99326	8.3
73.02920	2.0
75.00877	29.2
76.83070	0.9
77.54509	1.2
80.89693	0.9
81.26179	1.0
82.02986	2.4
83.01376	1.0
85.02961	38.1
87.00889	15.1
89.02464	10.5
91.04027	1.6
95.01389	10.3
95.05034	1.6
99.00890	17.7
101.02434	1.7
103.00373	4.3
113.02464	49.1
113.06107	61.8
114.02798	1.3
114.06413	1.4
115.00400	3.3
117.01985	6.0
129.01973	4.0
136.04041	2.9
143.40623	1.2
157.01459	1.9
164.03513	4.6
175.02461	4.7
175.61684	1.0
194.04587	2.0
195.05220	1.2
196.06145	2.3
197.87560	1.1
205.07072	2.1
223.08241	2.1
231.05127	4.4
249.06165	46.7
249.08743	2.5
250.06534	2.6
267.07205	84.2
268.07495	6.3
287.10391	9.1
288.10690	1.1
331.09415	3.9
345.11874	3.2
363.12955	100.0
364.13257	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	363.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03456	3.4
58.00597	1.5
59.01379	28.1
66.55576	0.6
67.01862	0.9
68.99810	2.1
69.03474	1.3
71.01388	30.9
71.21214	1.8
72.01705	0.8
72.99304	7.1
73.02948	2.8
75.00878	27.3
83.01383	1.6
83.05040	0.7
84.02172	1.1
85.02958	32.6
87.00880	14.2
88.22737	0.8
89.02448	9.2
95.01395	7.2
96.86591	0.8
99.00890	15.5
101.02458	1.3
103.00366	3.5
111.00839	1.3
113.02464	43.7
113.06100	52.9
114.02801	1.2
114.06426	2.1
115.00391	3.0
117.01945	4.3
129.01942	3.6
131.03502	1.1
139.00381	1.1
149.04544	0.8
157.01421	1.5
175.02492	4.7
189.04008	0.9
194.91405	0.9
205.07123	4.1
207.05153	1.6
223.08322	1.1
231.05069	2.9
249.06142	40.1
250.06557	2.1
267.07187	61.5
268.07452	4.6
303.10803	1.1
345.11957	2.3
363.12955	100.0
364.13382	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03443	4.8
58.00590	1.7
59.01383	30.2
60.63751	0.9
67.01888	1.9
68.99812	2.3
69.03455	1.8
71.01389	38.3
71.71398	0.9
72.01733	0.9
72.99303	9.4
73.02942	2.2
75.00882	33.3
81.03484	1.7
83.01397	1.6
85.02962	43.6
86.03300	0.9
86.36668	1.0
87.00386	1.3
87.00894	16.3
89.02460	10.3
91.03985	1.5
93.03433	1.0
95.01405	8.6
95.05047	1.8
99.00897	17.4
101.02415	1.5
103.00380	4.6
111.00874	1.0
113.02470	54.1
113.06103	60.7
114.02789	2.2
114.06436	2.6
115.00381	4.1
117.01977	6.3
119.03464	0.8
119.36730	1.0
127.04000	1.2
129.01970	3.4
136.03996	0.9
157.01483	1.9
164.03560	1.3
167.05806	1.1
175.02478	4.7
205.07199	3.4
207.05019	1.2
223.08209	1.3
231.05080	4.8
249.06148	47.3
250.06511	2.5
267.07211	74.0
268.07526	3.2
287.10403	1.7
345.11923	2.3
349.34152	1.0
363.12979	100.0
363.17090	6.3
364.13300	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	363.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03458	1.3
59.01382	18.0
60.01728	0.3
61.98834	100.0
71.01389	4.5
71.02554	0.5
72.99310	0.5
73.02953	7.2
77.26099	0.2
83.01404	0.7
85.02962	3.1
87.00902	0.2
87.04521	0.3
89.02450	2.2
99.00890	0.4
99.04547	0.4
101.02452	3.1
101.03079	0.2
102.00288	0.2
103.04021	1.2
112.98850	0.2
113.02461	1.8
115.04038	1.0
119.03532	0.9
123.04600	0.2
123.08188	0.3
125.91976	0.2
129.56285	0.2
135.04536	0.3
137.02490	0.2
137.06094	0.3
138.01970	0.4
139.02303	0.3
145.02917	0.3
149.02493	0.3
150.03261	0.8
152.01163	0.6
153.05614	1.3
161.04573	0.8
165.05579	1.0
167.03493	0.4
173.00983	0.4
174.01735	2.0
175.02480	0.2
177.01910	0.2
178.07880	0.2
180.82079	0.2
183.10268	1.4
193.05000	0.2
195.06708	0.3
200.01443	0.2
201.11276	0.3
211.06158	0.6
218.15619	0.2
220.39423	0.2
243.08658	0.3
261.11871	0.2
271.08307	0.5
303.14517	0.3
315.08649	0.5
363.16632	15.3
364.16983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43569	0.6
55.01876	1.7
57.03447	5.5
57.98773	0.7
57.99086	0.7
58.00562	1.0
59.01380	46.6
59.82157	0.7
60.68754	0.7
61.98820	1.0
64.25125	0.7
67.01918	0.8
69.03454	1.6
70.09864	3.6
70.10284	1.2
71.01390	36.4
72.99312	7.6
73.02966	4.0
75.00881	19.5
83.01393	2.7
83.42999	0.6
85.02959	35.4
86.03296	0.9
87.00881	12.9
89.02444	12.2
91.04021	0.9
95.01395	6.8
95.05046	0.9
98.20568	1.3
99.00893	13.0
99.82964	0.7
101.01848	1.0
101.02457	7.8
103.00405	4.4
103.04001	0.9
111.00883	1.5
112.01673	1.3
113.02463	46.3
113.06098	27.1
114.02782	1.1
115.00376	2.6
117.01957	4.4
119.03504	0.9
119.05036	1.0
125.02489	0.8
129.01936	3.0
131.03537	1.6
147.04550	0.9
157.01424	1.2
161.04602	1.7
161.06059	1.0
165.05545	3.7
166.71765	0.7
175.02463	3.9
179.05676	1.4
183.10274	2.2
201.11359	2.6
204.13783	0.8
205.05429	0.7
205.07121	3.5
207.05061	2.2
223.08296	1.7
247.06035	1.2
249.06155	12.5
250.06491	0.8
265.07275	1.3
267.07193	100.0
268.07578	6.7
297.02350	0.7
319.19086	2.0
345.15646	1.3
363.12900	57.7
363.16821	35.3
364.13242	6.4
364.17212	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	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26801	0.4
53.31506	0.4
59.01380	100.0
60.01724	1.3
61.98837	2.8
70.86623	0.5
70.86968	1.0
71.01402	0.8
73.02957	0.9
76.50869	0.4
83.01462	0.3
85.02994	0.4
85.27814	0.5
88.04039	0.4
89.02493	0.5
99.00911	0.5
101.02458	0.6
113.02405	0.4
114.01974	0.5
128.03572	0.7
140.07196	70.6
141.07564	3.4
161.04648	0.8
174.01701	1.9
183.29326	0.4
201.11360	0.8
224.10120	0.4
271.08319	0.9
302.12476	2.4
313.39926	0.4
363.09784	1.0
363.16501	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	361.9893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09351	0.2
59.01380	9.4
60.01708	1.4
61.01804	0.3
61.98833	100.0
71.26131	0.5
82.19998	0.2
83.13289	0.2
149.42236	0.2
159.01477	0.2
159.73174	0.2
159.97423	0.6
168.13835	0.2
174.99232	1.3
175.31299	0.2
175.99597	0.7
177.96730	0.7
177.98703	0.3
178.98567	0.8
185.71201	0.2
201.02557	1.3
203.02438	0.6
204.00008	4.5
204.02699	0.9
205.00095	0.3
217.00325	2.6
218.00653	3.0
219.00833	1.3
219.97765	56.3
220.97960	0.8
220.99762	3.8
245.31731	0.2
317.19003	0.2
320.00705	0.4
361.98438	2.1
362.99081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
61.98834	100.0
67.01909	0.5
69.67454	3.1
71.01394	2.4
72.99308	0.9
73.02962	1.7
75.00890	1.5
80.93209	0.3
85.02962	0.9
85.08085	0.4
87.00899	0.6
89.02454	1.8
93.03522	0.4
97.51687	0.4
99.00916	0.6
100.83977	0.4
101.02459	1.8
109.02924	0.5
111.00970	0.9
113.02494	1.6
114.02831	0.4
115.89161	0.4
119.03509	0.6
119.05057	1.6
123.00906	0.6
123.04559	0.7
137.02475	2.4
138.03304	0.4
139.03775	0.5
141.05597	0.4
147.41023	0.4
161.04543	0.6
163.04054	1.2
164.04485	0.7
167.03304	0.3
181.05174	0.3
182.02327	0.4
182.08183	0.4
183.02608	0.4
191.52531	0.3
197.04691	0.5
198.05016	0.7
200.05412	0.7
205.97588	0.4
249.06239	0.9
250.06657	1.1
251.06680	0.4
299.07742	0.8
362.08151	0.6
363.12897	0.6
363.17023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.2
63.36229	0.7
66.76012	0.6
70.73454	1.0
70.73832	1.1
71.01378	2.6
73.02953	0.8
75.00873	0.8
83.01374	0.8
85.02969	2.0
95.01334	0.8
95.05064	0.9
99.00905	1.1
101.02474	1.6
108.04539	0.9
110.06147	5.1
111.04566	4.3
113.02429	1.2
116.05087	1.2
118.06651	1.5
119.03747	1.1
119.05042	0.8
120.04539	0.9
121.02932	0.8
121.05349	1.1
122.06143	13.3
123.06523	1.2
131.03784	1.1
132.04573	2.4
134.06143	0.9
144.04565	3.9
145.05370	14.7
146.02469	0.9
146.06155	6.3
147.03238	1.1
148.04059	3.2
152.03557	1.4
157.32816	0.8
159.03241	3.2
160.04065	48.5
161.04845	26.2
162.05571	3.3
164.03558	1.8
174.01987	0.9
175.02768	1.4
176.03519	10.2
177.04353	6.4
178.04915	0.9
181.08629	0.7
188.03555	3.8
189.04327	67.5
190.04854	6.8
192.03053	3.8
193.03838	14.2
194.04100	1.2
203.05878	2.0
204.03104	0.7
204.06445	1.1
220.06123	1.4
221.03374	13.3
221.06895	20.9
222.03600	1.2
222.07326	1.6
222.92249	0.7
231.11432	3.5
240.04240	8.8
243.11395	5.4
249.06143	1.6
253.05977	8.0
254.05609	0.8
255.06667	2.6
255.11388	15.7
256.11743	1.6
264.62000	0.7
265.05078	1.5
267.07132	1.7
267.11389	29.0
268.11588	2.5
271.10880	1.4
283.06125	3.4
283.10919	2.9
285.12512	4.3
298.08481	7.3
299.10431	12.9
300.10739	1.7
311.10391	36.0
312.10709	4.3
313.10837	17.4
314.11148	2.3
329.11420	15.3
330.11874	2.0
331.08850	1.3
331.12985	19.4
332.13226	2.8
343.13010	100.0
344.13333	13.6
361.14139	29.8
362.14471	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	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.4
60.92957	1.0
60.97514	0.9
61.98833	13.5
67.01888	2.0
71.01385	14.5
71.33256	1.8
72.62492	0.9
72.97536	7.8
73.02958	2.6
75.00878	2.2
83.01394	2.2
84.65359	0.8
85.02969	6.2
87.00899	1.6
89.02448	3.3
95.01392	3.0
95.67434	0.8
96.26734	0.8
97.02983	1.0
99.00890	2.5
101.02460	8.7
105.84659	1.0
109.02940	1.9
111.00880	5.6
113.02461	9.8
119.05083	1.6
121.02988	3.3
123.00900	100.0
124.01740	13.6
125.02465	2.5
133.96782	1.9
134.97588	3.0
135.04570	1.4
136.01624	0.9
137.02432	4.4
138.02097	2.5
138.03241	79.0
139.00452	1.2
139.04047	27.5
140.04413	1.4
143.03508	2.1
149.02451	2.9
150.03253	1.7
151.04016	3.6
153.01933	2.4
155.02353	1.2
159.03024	2.8
161.04568	26.1
163.04048	3.3
166.02704	2.9
178.02727	2.4
181.05075	10.1
193.05072	3.6
249.06177	7.1
295.04230	1.0
301.09277	40.8
302.09589	4.0
361.07559	5.0
361.11588	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	361.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03453	2.7
58.00606	1.0
59.01379	18.6
59.67664	0.6
61.98831	8.5
62.35610	0.6
67.01890	16.4
68.99831	2.5
69.03469	2.2
70.11803	2.7
71.01389	17.6
71.01760	1.1
72.99307	5.6
73.02975	1.6
75.00882	18.7
81.03481	1.1
83.01405	1.1
85.02958	18.0
87.00876	6.8
89.02451	4.6
93.03479	1.2
95.01402	4.9
97.03023	0.6
99.00900	8.7
101.02441	1.6
103.00411	1.8
111.00897	53.1
111.04516	0.7
112.01247	1.9
113.02460	22.1
114.02792	0.8
115.00381	1.9
117.01965	3.1
119.04997	1.1
129.01988	2.2
130.99857	0.9
137.19719	0.7
138.03244	0.7
149.02489	1.5
157.01436	1.5
163.04054	1.9
164.04762	0.8
175.02469	2.2
175.96587	0.9
181.05148	0.8
189.04045	1.8
197.04634	0.8
199.05058	1.1
231.05099	6.2
241.07169	1.4
249.06151	100.0
250.06491	6.2
295.14230	0.7
319.99521	0.9
343.06473	0.8
361.07724	47.1
361.11411	2.5
362.08060	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	361.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	80.0
61.98818	17.2
62.97754	4.8
65.89345	4.8
69.40768	53.1
71.01379	10.2
71.05009	8.5
72.99310	6.5
73.02925	13.6
83.05001	6.6
87.59692	5.2
101.02455	7.3
101.06048	7.1
109.02949	5.6
113.02467	6.0
114.30589	5.6
125.17323	6.3
137.02420	6.4
142.06628	11.0
143.06963	10.8
169.12292	6.3
171.13867	6.8
186.05698	8.0
201.14943	13.9
204.06621	6.6
205.06950	7.7
209.11836	9.8
275.18768	6.9
301.20160	91.8
319.13422	7.6
319.21216	100.0
320.21527	8.5
361.16687	18.2
361.22836	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49593	0.2
59.01380	5.9
61.98831	0.7
62.28936	0.2
63.23996	0.2
63.93856	0.2
69.17429	0.2
69.61958	1.7
71.01385	0.5
75.00877	0.2
79.95751	0.3
87.47974	0.2
89.02462	0.4
98.19836	0.2
101.02438	0.3
108.02189	6.6
113.02499	0.3
116.92886	0.2
121.02991	0.4
122.02493	0.3
135.03044	0.5
136.99164	0.2
138.01990	100.0
139.02341	4.0
145.02928	0.3
151.02765	0.5
160.04021	0.3
163.58128	0.2
173.01509	0.2
180.02956	0.3
181.08777	0.2
239.72485	0.2
270.12292	0.2
361.15091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06709	0.4
59.01381	56.9
60.01709	0.5
61.22741	0.5
66.22493	0.4
71.01383	5.7
71.41164	0.6
72.50774	0.4
73.02953	1.3
81.60467	0.4
83.01369	0.5
85.02951	2.2
87.00885	0.7
89.02457	1.8
95.01401	3.3
99.00877	0.6
101.02465	2.8
106.04273	0.7
113.02486	2.3
119.03478	0.6
119.05043	1.1
123.00904	37.0
124.01234	1.1
137.02483	1.4
137.06104	32.6
138.03250	48.0
138.06432	1.6
139.03615	2.2
153.05594	18.0
154.05908	1.2
154.08743	1.2
161.04572	6.6
166.99863	10.3
181.42284	0.5
182.02231	37.3
183.02571	1.8
196.80515	0.4
197.04564	100.0
198.04939	6.2
198.07681	3.0
239.05780	0.6
249.99863	0.5
299.11273	0.7
359.09726	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69231	1.5
57.03444	1.5
59.01385	20.1
61.98840	5.4
70.75204	3.0
70.75569	3.2
83.40656	1.6
95.51118	1.6
97.06607	3.3
99.08179	8.2
109.03028	1.6
112.48333	1.6
113.09724	3.7
125.09733	2.3
139.11307	3.3
142.06647	3.7
143.07082	1.6
186.05598	1.8
188.53920	1.7
198.05652	10.9
199.62149	1.6
209.19119	3.7
219.17601	5.4
237.18599	17.9
253.18144	5.3
255.19649	100.0
256.19965	7.7
269.62610	1.8
271.19147	22.2
272.19467	2.7
281.17603	7.1
299.18655	88.2
300.19028	7.6
317.19711	86.2
318.19946	8.7
359.15601	6.2
359.20776	68.1
360.21112	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.23458	0.3
59.01379	2.0
61.98832	0.4
70.01637	1.2
70.02058	0.5
70.63161	0.2
71.01379	1.7
80.14452	0.3
83.01402	0.3
85.02977	0.4
89.02446	0.4
95.01391	2.5
97.02956	0.3
98.19949	0.4
101.02464	0.8
105.91750	0.3
113.02456	0.4
123.00906	37.5
124.01248	1.1
129.84134	0.3
137.02475	1.1
137.06079	0.6
138.03253	45.6
139.03558	2.5
153.05597	18.7
154.05949	1.0
154.08749	0.5
163.04034	0.3
165.01903	0.4
166.99881	11.2
168.00244	0.5
181.01376	0.6
182.02231	38.8
182.87875	0.3
183.02556	2.2
197.04568	100.0
198.04898	5.6
198.07739	0.8
239.05620	0.8
359.09830	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Yuheinoside
Peak:m/z	Relative Intensity
54.73949	0.9
55.01876	2.5
57.03447	2.8
58.00590	2.9
59.01382	100.0
60.01721	1.6
61.98831	7.3
63.66211	0.8
71.01387	63.6
71.06874	2.7
72.99310	5.4
73.02960	9.5
74.02467	1.7
79.95734	1.2
83.01398	6.9
85.02959	21.4
87.00888	4.9
89.01907	2.3
89.02457	42.4
93.14774	1.0
95.01395	5.4
97.02956	1.0
99.00893	3.7
101.02454	48.6
108.02229	1.6
108.04588	3.4
109.02936	1.4
109.04919	2.3
111.00902	2.0
113.02472	25.2
119.03521	21.2
119.05012	10.1
121.02979	4.0
122.03757	13.1
123.00927	2.0
123.03252	1.6
123.04560	5.8
124.01637	1.3
125.02438	3.5
131.03513	1.9
131.04610	1.3
136.01662	2.0
136.46658	1.0
136.99144	1.0
137.02505	6.1
137.06085	3.8
138.03270	2.1
138.05640	12.8
139.00386	1.7
139.04060	1.1
143.03508	3.8
150.05656	1.3
151.05974	2.9
153.01970	4.2
153.05592	4.4
154.02843	1.1
155.03491	1.0
161.04561	10.1
163.04036	1.9
164.04823	4.0
164.98602	1.3
165.01985	1.2
166.05042	1.9
167.03516	4.3
169.42744	1.0
179.03490	2.3
179.05611	5.2
179.07162	7.5
181.01411	2.9
182.02200	3.8
182.05870	29.5
183.06297	1.1
192.24913	1.0
192.98070	1.1
193.18517	1.0
196.03752	2.7
197.04549	23.9
197.08209	86.2
198.04880	1.7
198.08679	4.9
204.06685	1.1
211.06148	5.7
224.03113	1.7
239.05592	14.2
250.34207	1.1
299.07776	5.4
299.11371	20.1
300.11060	7.3
344.07556	1.6
359.09708	40.7
359.13531	48.9
360.09775	4.9
360.14224	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	359.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.0
59.01375	1.2
61.98809	0.4
63.02385	0.6
65.00323	2.1
65.03947	0.4
67.01885	1.2
68.82554	0.4
68.99814	2.6
69.78561	2.1
71.01389	1.2
78.75068	0.3
80.18413	0.4
81.03460	2.1
83.01397	14.7
83.01873	0.8
85.02967	0.9
87.58212	0.4
89.02454	0.7
91.01910	0.4
93.03467	0.4
94.02942	0.4
97.02957	0.7
97.59305	0.4
107.01399	2.7
109.02968	7.8
111.00889	1.1
113.02484	0.4
114.97073	0.4
121.02981	0.5
123.00907	1.2
124.01762	0.4
125.02463	37.2
126.02819	1.0
128.29404	0.4
134.34930	0.4
135.00960	0.5
135.04552	1.2
137.02449	0.9
138.02026	0.8
138.03169	0.9
139.04095	1.0
140.72203	0.4
149.02481	3.3
151.00397	14.9
152.01077	0.5
153.01955	100.0
154.02292	3.5
161.02489	0.5
167.03506	1.6
177.01952	2.4
178.99896	3.8
179.03482	0.8
182.02213	1.0
190.48152	0.4
195.02995	1.7
197.04530	2.8
201.24937	0.4
237.43871	0.4
245.73778	0.4
287.07767	0.8
315.07205	9.6
316.07675	0.8
341.05142	1.0
359.06189	12.2
360.06592	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	358.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64195	0.3
57.03446	0.9
59.01379	4.1
61.98834	100.0
63.02427	0.3
67.22187	0.3
68.99818	0.5
69.98268	1.9
71.01398	1.5
78.14990	0.3
81.03461	0.6
83.01398	3.3
85.02955	0.6
87.00910	0.6
89.02452	0.7
95.01431	0.4
97.02981	0.9
97.90832	0.3
98.02531	0.6
98.19913	0.3
99.00912	1.0
101.02489	0.7
107.01416	0.7
108.04565	0.5
109.02991	1.7
111.00904	0.4
113.02497	0.6
121.03162	0.4
123.00902	4.0
123.04558	0.4
125.02468	9.3
130.08768	3.6
133.03038	0.3
133.05087	2.8
135.04514	2.6
137.02457	2.7
138.03256	5.4
141.02008	0.4
143.03560	1.2
149.02530	0.7
151.00403	2.8
153.01961	21.9
153.05537	2.4
160.06168	0.4
161.02393	0.4
166.99956	1.0
167.03455	0.5
174.99339	0.6
177.01967	0.4
178.99901	1.0
179.03532	0.9
182.02228	4.1
182.59785	0.3
195.03024	0.5
196.07060	0.7
197.04576	13.1
197.08490	0.5
200.06021	0.7
201.02678	0.5
217.00368	3.0
224.05615	0.4
261.06140	0.8
315.07132	1.8
322.65994	0.3
358.07819	0.9
358.12360	0.6
359.06064	2.7
359.10019	1.0
359.15515	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	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39852	0.7
59.01379	78.7
60.01711	0.9
69.50327	1.2
69.50734	5.0
72.85556	0.7
72.99282	0.9
75.80769	0.7
96.96029	9.5
127.94444	0.7
132.98189	1.3
136.94032	1.5
138.93782	1.0
157.03568	2.1
159.01556	1.1
170.62711	0.7
174.99275	24.5
201.02576	24.7
202.02734	2.5
205.02113	0.9
205.43793	0.9
208.94287	1.7
217.00314	100.0
218.00648	3.1
256.87640	4.1
257.88126	1.3
271.86365	0.9
273.00992	1.0
274.88718	15.7
275.88828	2.7
289.87482	3.0
298.88724	6.0
299.88959	1.4
316.89828	17.9
317.89856	3.5
359.01636	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	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.3
59.01381	14.4
61.98832	2.6
62.27998	0.3
62.84161	0.3
67.13606	0.3
68.90529	0.3
69.38869	0.9
69.39278	3.6
71.01389	7.1
72.99332	0.4
73.02964	0.5
74.02484	1.4
80.30386	0.4
85.02954	1.3
87.00888	0.6
87.05640	0.9
88.03412	0.3
89.02453	5.5
97.32861	0.3
98.19893	0.6
101.02453	3.6
107.05052	0.5
109.02992	0.5
113.02464	2.5
116.07176	0.5
117.03519	0.4
118.09358	0.3
119.03514	2.6
119.05012	0.6
123.04498	0.7
124.01668	1.0
128.43716	0.3
129.10333	0.7
130.08743	0.7
134.03769	0.4
135.04550	0.9
136.05342	1.0
137.02493	2.3
142.69322	0.3
145.03018	0.9
149.06133	0.5
151.04036	7.7
152.07166	0.9
161.02475	1.9
162.03250	42.4
163.04001	4.7
174.07747	0.3
177.05595	38.3
178.05928	2.3
179.03476	5.5
179.05661	0.4
180.04300	55.0
180.43585	0.4
181.04626	3.1
189.05194	0.4
192.42783	0.3
193.05093	0.4
195.06641	100.0
196.07040	6.3
205.83691	0.4
240.28500	0.3
340.01471	0.4
357.08420	0.5
357.11920	8.8
357.21423	3.4
358.12042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.23561	0.3
59.01380	5.0
61.98827	1.8
70.06303	0.5
70.06719	1.1
71.01389	2.0
73.02924	0.4
74.02476	1.7
75.00869	0.6
85.02954	0.6
87.00886	0.3
88.04050	0.3
89.02458	0.8
92.05074	1.6
98.02482	1.0
101.02465	0.9
105.03465	0.3
108.04581	0.7
109.02963	0.4
109.04885	0.3
112.47276	0.3
113.02441	0.5
119.05014	0.4
121.02977	0.3
123.04527	1.2
124.01696	0.5
126.71412	0.3
128.03543	0.3
129.10382	0.5
129.41705	0.3
133.02991	0.3
134.03758	0.4
135.04559	2.0
136.04076	3.4
136.05055	0.5
137.02492	2.1
145.02939	0.5
147.04590	0.3
149.02399	0.5
149.06174	0.4
150.05548	0.3
151.02858	0.4
151.04031	6.4
151.05907	0.4
153.01842	0.4
153.05585	1.1
159.04591	0.4
160.93912	0.3
161.02463	1.1
162.03246	24.4
163.04025	6.5
164.04457	0.5
165.05615	0.5
175.04070	0.4
177.02045	2.0
177.05595	6.8
178.02582	0.4
178.06366	3.0
179.03516	5.0
179.06845	0.4
180.04297	60.1
181.04630	3.3
187.03961	1.2
190.02647	0.4
192.04346	0.4
193.05115	0.9
193.08719	5.1
194.05814	0.5
195.06639	100.0
196.06987	6.0
202.06178	0.3
205.05074	3.0
206.05215	0.3
207.06618	0.6
217.08742	0.4
220.07410	3.0
235.09758	4.8
236.10242	0.5
242.18802	0.5
267.08789	0.7
269.11523	0.8
295.11853	0.6
297.09979	0.4
314.13748	0.5
327.25778	0.3
357.08688	0.7
357.11951	10.7
357.21304	0.9
358.12088	1.4
358.16293	0.7
358.20010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.9
61.98832	4.6
69.86733	4.3
69.87159	2.8
71.01387	14.7
72.99285	1.1
73.02941	2.0
75.00879	1.6
77.03961	1.0
80.33688	0.9
83.01390	2.9
85.02959	4.4
85.04089	1.5
87.00888	2.9
89.02464	10.2
89.22884	1.3
93.03465	3.6
93.95502	1.0
95.01369	2.2
96.00915	1.1
97.02940	1.0
101.02470	8.0
105.03455	2.6
107.05048	1.8
108.04567	3.2
109.04887	3.1
111.36581	1.0
113.02470	4.9
119.03519	2.7
121.02984	2.3
123.04533	4.6
125.02467	2.1
128.03516	1.2
133.02974	4.7
135.04536	2.2
136.01659	1.3
137.02435	2.6
137.06102	1.1
147.04543	1.3
149.02470	22.9
150.03304	5.2
150.04367	1.2
150.05614	3.7
150.06854	4.1
151.04033	61.9
151.05974	4.2
152.04333	3.4
152.07216	1.9
153.02000	4.5
153.05569	3.8
161.04579	1.6
162.03247	3.6
163.03995	1.9
164.04791	3.3
165.01976	1.8
165.05605	9.3
170.22537	1.1
173.54826	1.2
175.04102	1.6
177.01955	100.0
177.05521	3.0
178.02339	5.9
179.03453	2.6
180.04333	9.8
191.03510	2.1
193.05090	16.9
194.02199	2.5
194.05574	1.9
195.03027	53.9
195.04926	1.9
195.06651	22.4
196.03326	3.7
205.05136	2.0
219.03008	3.2
223.10872	5.7
235.09799	1.2
237.04059	33.0
238.04457	1.8
242.18652	1.4
249.03827	1.6
267.05099	38.8
268.05304	3.2
297.06174	75.1
298.06424	7.0
326.03210	1.0
339.07120	2.0
357.08240	48.6
357.11746	2.7
357.21210	2.4
358.08609	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	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04813	0.8
59.01093	1.1
59.01383	22.7
61.98837	6.6
71.01391	15.3
71.71037	1.6
71.71407	0.8
72.99306	2.7
73.02959	1.3
75.00864	1.6
85.02954	4.9
87.00893	2.2
88.04005	1.4
89.02444	8.3
93.03486	2.3
95.01392	2.1
95.05045	1.9
101.02450	7.6
105.03468	2.5
106.08755	1.0
107.05023	2.3
108.04577	9.3
109.02990	1.0
109.04250	0.8
109.04890	5.1
113.02496	5.3
119.03492	2.8
119.04986	0.9
121.02962	1.9
123.04577	5.1
125.02478	1.4
128.03583	0.9
130.08736	2.2
132.02197	1.7
133.02991	6.1
133.06540	0.9
135.04536	3.6
136.04057	1.0
136.05348	1.4
137.02466	3.3
140.07170	1.9
149.02469	21.9
150.03287	6.1
150.05603	6.2
150.06860	5.8
151.04027	66.1
151.05836	8.0
152.04356	3.1
153.01939	4.3
153.05566	2.8
155.03644	0.8
161.04497	1.1
162.03232	3.3
164.04816	2.4
165.05592	10.8
177.01950	100.0
177.05310	2.2
178.02324	6.1
178.06033	1.1
179.03465	1.6
180.04320	4.9
191.07150	1.0
193.05078	19.8
193.08676	1.2
194.02165	1.8
194.05316	0.9
195.03004	53.6
195.04774	1.7
195.06619	14.2
196.03333	3.7
196.06987	1.1
205.05029	1.1
207.17049	0.8
218.42241	0.9
219.02953	1.7
235.09766	1.2
237.04044	32.3
238.04306	2.5
249.04063	1.8
267.05081	37.2
268.05441	3.0
273.75827	0.9
297.06152	70.3
298.06595	4.6
339.07172	3.1
357.08267	54.2
357.11963	3.1
357.21182	1.7
357.25204	2.7
358.08533	5.3
358.20416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96178	0.2
53.03601	0.2
56.04284	0.3
59.01384	0.7
69.78023	1.9
92.62970	0.3
104.97470	0.3
107.03790	0.5
108.04574	100.0
109.04898	2.9
123.04550	0.7
150.05632	87.8
151.05991	4.3
162.03223	0.3
172.42923	0.3
177.02002	0.4
180.04259	0.7
195.06615	1.1
356.09753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.7
61.98833	100.0
71.70644	4.9
71.71046	4.2
76.17788	2.6
97.34424	3.2
110.39085	2.9
121.02944	4.5
124.01640	2.9
181.61522	2.7
333.39569	2.7
357.06335	4.7
357.13120	3.1
372.55042	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	357.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.3
59.01381	7.5
61.98836	1.6
71.01385	4.2
71.70812	0.3
72.99308	0.4
73.02960	0.6
75.00880	0.5
77.03973	0.7
81.03457	0.3
83.01400	0.3
85.02962	1.2
87.00883	1.1
89.02439	2.3
93.03481	1.9
93.55207	0.2
95.01421	0.5
95.05028	0.4
101.02460	2.2
105.03470	1.4
106.99781	0.4
108.04577	4.6
109.02960	0.5
109.04903	2.3
111.00863	0.4
113.02473	1.2
119.03542	0.8
121.02962	1.1
122.03656	0.3
123.04570	1.8
125.02412	0.5
132.02228	0.5
133.02960	1.0
135.04538	0.9
136.01707	0.9
137.02434	0.8
149.02469	22.4
150.02869	1.2
150.05624	3.5
150.06897	2.4
151.04053	7.2
151.05963	3.1
152.04353	0.3
152.07191	0.8
153.02000	0.4
153.05588	0.8
161.02454	0.4
161.04633	0.5
162.03264	1.0
163.04019	0.5
164.01184	0.9
164.04790	0.4
165.01952	3.5
165.05585	0.6
176.01067	0.3
177.01955	100.0
178.02304	5.6
178.06410	0.4
179.03520	10.4
180.04297	7.3
191.03526	0.5
193.05090	0.9
193.08678	0.5
194.05861	3.1
195.03020	8.2
195.05272	0.6
195.06647	16.1
196.03360	0.5
196.06990	0.9
198.05646	0.5
205.05196	0.3
219.02997	1.5
237.04047	1.2
267.05093	1.1
273.73553	0.3
297.06152	2.6
298.06589	0.3
357.08264	23.9
357.12021	1.1
358.08417	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01086	1.2
59.01381	22.7
64.87560	0.7
69.51249	7.8
69.51583	1.6
71.01386	13.1
72.99303	0.9
83.01386	1.2
85.02948	4.6
87.00894	1.4
89.02469	6.3
95.01400	1.7
101.02445	5.2
113.02458	4.1
117.03487	1.3
119.03575	1.4
119.05051	4.4
129.01895	1.2
132.02202	15.7
133.02925	2.5
134.03769	42.4
135.04189	1.4
144.80690	0.9
147.04555	4.9
148.05302	1.3
149.06102	12.4
160.01689	78.0
161.02061	4.1
163.04070	5.3
174.03229	1.3
175.04033	100.0
176.04745	14.7
177.01901	1.7
177.05211	0.9
178.02777	5.9
191.07155	15.6
192.07541	0.9
193.05083	52.9
194.05373	3.4
202.02740	1.4
207.06651	3.7
209.06683	10.9
210.07109	0.9
217.05133	8.4
220.03716	1.1
235.06126	37.8
236.06514	4.1
247.06062	1.1
248.86043	0.8
265.07162	20.0
266.07565	1.9
295.08234	44.0
296.08514	3.3
355.10355	4.8
356.10776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54819	0.4
55.01878	0.5
57.03452	0.9
59.01382	6.8
61.76520	0.5
67.75250	0.4
69.74300	2.9
69.74695	0.7
71.01391	6.0
72.99298	0.5
73.02943	1.3
78.28334	0.4
83.01403	1.4
85.02960	4.6
87.00880	0.7
87.62958	0.4
89.02444	1.6
89.26294	0.4
97.02978	0.9
98.20618	0.6
99.00908	0.9
101.02457	4.8
105.03473	0.8
111.00887	0.4
113.02470	1.5
117.03487	0.9
119.05051	4.0
126.03844	0.9
129.01974	1.9
132.02155	2.4
133.02975	29.3
134.03780	11.7
135.04575	5.5
137.02464	1.2
139.04120	0.5
143.04604	0.6
145.02988	0.4
147.04529	1.6
148.05309	1.1
149.06120	2.8
160.01680	8.7
161.02460	100.0
161.79031	0.4
162.02782	4.6
163.04044	3.9
175.04024	10.1
176.04764	4.2
177.02036	0.5
178.02736	1.8
179.03554	2.7
191.05579	0.7
191.07150	6.6
192.07570	0.5
193.05086	14.7
193.07004	1.1
194.05531	0.6
207.06595	1.5
209.06670	5.9
217.05130	1.2
218.11359	0.4
220.03770	0.5
235.03940	0.8
235.06123	10.3
236.06453	0.8
241.21352	0.4
265.07159	6.0
295.08234	13.2
296.08609	0.6
302.96588	0.5
355.10345	64.8
356.10583	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	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03451	13.1
59.01379	13.2
59.27303	0.8
59.76239	0.7
61.98838	1.2
65.21655	0.8
69.44308	3.7
69.44733	4.8
71.01394	10.4
72.99323	3.3
73.02967	2.8
75.00891	3.1
80.36468	0.8
83.01406	2.4
84.02191	2.7
85.02961	100.0
86.03312	3.0
87.00907	2.6
87.04485	1.0
89.02447	5.9
91.72173	0.7
98.20045	3.0
99.00900	1.9
101.02455	1.7
103.00391	2.5
108.04569	29.4
111.00885	3.1
113.02484	2.6
115.00407	1.8
119.05021	2.3
129.01961	6.7
133.01419	3.7
134.03769	1.4
147.03038	8.0
149.04552	1.8
149.06177	1.0
150.05620	23.9
163.04031	2.9
163.06180	9.0
173.00957	1.1
174.01694	2.2
175.02510	1.5
175.07957	0.8
191.00201	1.3
191.01987	25.6
192.02332	1.7
193.05090	2.2
193.07198	1.1
209.03038	57.0
210.03398	2.2
229.27191	0.8
262.91467	1.0
268.68268	0.8
275.06335	0.7
355.10190	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67516	0.4
57.03426	0.6
59.01384	9.5
71.01392	4.5
71.48343	0.7
85.02966	1.7
87.00894	0.4
89.02466	2.8
101.02438	1.9
103.28405	0.4
108.36724	0.4
113.02455	1.8
119.03542	1.1
119.05013	2.0
129.01994	0.6
132.01202	0.7
132.02200	12.1
133.02510	0.5
134.03764	8.1
135.04213	0.4
147.04597	0.6
149.06154	2.0
160.01685	62.3
161.02020	3.7
163.04021	3.8
174.03323	0.5
175.04030	100.0
176.04387	6.7
178.02869	0.5
191.05624	0.4
191.07190	1.7
193.03316	0.9
193.05074	17.9
194.05434	0.8
202.02753	1.1
207.06635	0.6
209.06664	3.6
217.05055	6.2
218.05418	0.5
235.06209	3.4
259.74637	0.5
265.07196	0.8
295.08282	2.0
355.10373	7.9
355.14554	0.6
356.10577	0.9
364.84857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69654	0.4
57.03448	1.1
58.60204	0.4
59.01378	100.0
60.01717	1.3
61.98837	1.5
62.76860	0.4
67.01903	1.5
69.06353	0.4
71.01382	5.6
71.42725	0.8
71.43047	0.4
72.99310	5.3
73.02950	5.2
83.01394	2.7
85.02959	17.6
86.03329	0.5
87.00880	0.5
89.02461	1.2
99.00864	2.0
99.04518	0.4
101.02449	5.7
111.00893	63.8
111.04578	0.8
112.01231	2.1
113.02451	2.4
115.04044	0.6
116.65504	0.4
117.01952	4.5
119.05017	1.0
121.02950	0.5
125.02486	2.2
129.01947	6.4
134.03723	0.8
135.04552	3.1
143.03526	0.5
147.04532	0.6
154.99887	9.2
159.02995	1.6
161.02466	0.8
161.04561	4.1
161.06047	1.0
163.03946	0.8
173.00926	29.3
174.01265	1.2
176.01225	2.4
177.04005	0.4
179.03500	2.3
187.02448	1.3
187.07497	0.5
191.01994	37.2
191.03506	3.2
191.05588	2.8
192.02325	1.6
192.03917	0.4
193.05125	0.5
203.03574	0.6
205.03256	0.6
205.05061	7.5
211.96997	0.4
217.05194	0.4
233.04546	11.6
234.04929	1.0
236.03172	0.6
245.04454	1.2
263.05692	2.2
288.92078	0.4
293.16068	11.1
294.16455	0.9
353.04932	0.6
353.08792	7.0
353.12994	0.8
353.17496	0.4
354.08905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37751	0.6
53.13319	0.7
55.01867	0.8
57.03433	2.3
58.00571	0.9
59.01379	87.6
60.01712	1.1
61.98833	36.4
63.69645	0.7
67.01887	2.2
69.03425	0.7
71.01388	36.7
72.01740	1.3
72.99314	7.6
73.02948	6.4
73.49508	0.7
75.00883	8.7
83.01397	4.1
85.02960	38.7
86.03310	0.8
87.00867	4.4
87.04488	0.9
88.21208	0.7
89.02456	33.5
93.03459	2.1
95.01385	1.9
99.00899	3.2
99.04551	0.8
101.02457	30.8
101.49209	0.7
102.02783	1.3
103.04023	2.5
108.04597	0.8
109.02967	0.9
111.00900	55.9
112.01218	1.5
113.02479	13.9
113.81511	0.7
115.03999	1.0
117.01893	1.8
119.03526	13.7
125.02451	2.7
129.01988	3.7
131.03513	3.1
131.07242	1.1
133.05075	1.7
134.03677	0.8
135.04533	6.4
137.06084	2.7
143.03511	3.0
145.04956	1.2
147.03127	1.1
147.06586	1.5
149.04512	0.7
153.05573	2.1
154.05107	3.7
154.99873	8.4
155.03531	0.8
159.03055	1.0
161.04578	9.1
173.00932	18.2
173.04524	1.6
173.08182	1.2
179.03603	4.6
179.05606	8.7
187.02518	1.0
191.01996	14.4
191.05621	17.1
219.05124	0.9
235.08087	0.9
237.06198	2.2
237.09846	3.1
249.06227	1.1
277.09369	1.2
293.08774	1.1
293.12350	2.7
295.07993	0.7
309.08264	0.8
317.12375	5.7
318.12497	1.0
324.57645	0.8
335.13293	2.4
353.14545	100.0
354.14978	8.7
366.89432	0.8
373.29541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58183	2.5
58.99602	7.4
59.01372	16.4
61.98830	10.1
63.83781	2.3
71.05042	5.6
71.71590	3.1
73.98305	2.5
74.02468	3.2
82.22281	2.5
83.02512	5.6
83.34209	2.7
83.99092	3.0
85.02983	5.4
85.17077	2.6
87.02772	2.6
95.02544	4.0
96.03303	5.3
97.04110	7.2
97.06603	100.0
98.06969	3.7
99.05664	4.1
101.04317	5.6
103.73325	2.3
109.04078	12.3
109.11819	2.4
110.02468	5.8
111.00886	15.4
111.05654	44.9
111.79383	2.3
116.01785	18.0
123.05664	9.8
134.23466	2.2
135.04578	5.2
139.05176	10.1
141.01271	3.6
146.09744	6.5
151.05157	3.2
152.05377	2.9
152.07230	6.1
154.02145	8.7
154.06973	5.3
154.99934	3.5
155.02859	32.5
157.04454	4.3
157.10594	3.2
167.02809	13.9
173.00909	7.3
175.08760	3.5
177.10349	6.3
178.40013	2.6
179.03549	3.5
180.03722	2.7
183.02422	13.0
191.01968	6.3
191.05620	20.8
192.13866	4.4
203.11957	26.4
204.06694	2.7
206.11916	6.6
211.09132	13.9
221.12956	3.7
226.85588	2.6
237.10661	19.8
245.16547	2.8
247.10870	3.5
257.16608	4.2
265.11780	4.3
275.17773	5.0
291.15469	5.8
309.16409	83.1
310.16779	9.5
319.16571	13.4
353.15430	66.0
353.19772	3.6
354.15802	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	353.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85981	2.1
55.36041	2.0
59.01378	13.0
61.98825	10.6
71.71652	3.1
72.99306	3.7
85.02927	3.7
111.00900	9.6
116.05080	4.3
130.06702	2.1
134.03767	2.8
142.06642	100.0
142.07758	5.1
143.06944	6.8
158.06114	10.6
173.00893	2.2
186.05641	53.5
187.06010	2.9
191.01970	2.9
204.06689	78.5
205.06990	5.4
241.51448	2.4
246.07709	27.3
304.56631	2.3
348.43500	2.2
364.03876	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	353.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.1
57.03444	9.7
59.01379	95.0
61.98822	3.8
67.01880	3.3
68.99831	4.5
71.01386	98.3
71.71103	4.0
72.99300	6.6
73.02953	12.1
75.00898	7.5
75.70432	3.5
83.01404	8.8
85.02963	32.6
87.00888	14.5
89.02454	80.0
95.01371	3.7
99.00896	41.7
101.02454	31.0
101.06081	5.3
103.03928	4.4
111.00899	21.3
111.04517	4.6
112.98822	100.0
113.02485	19.8
113.99159	5.5
115.00385	15.3
119.03523	11.9
129.01978	34.4
129.05565	5.1
131.03490	5.1
135.04524	6.2
142.99886	40.0
143.03558	5.9
145.01442	8.2
145.74492	3.4
147.02995	9.2
147.06633	38.9
149.04509	6.7
153.05576	8.6
155.03503	8.2
161.04622	19.4
173.00946	42.6
173.04558	32.0
173.08163	8.4
174.07719	88.3
175.02470	8.1
179.05612	21.2
191.02014	9.6
191.05719	4.2
198.06258	10.0
220.28261	3.2
266.08911	4.1
293.08881	4.7
310.07849	9.4
315.10681	4.0
353.14648	8.8
354.06784	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	353.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93154	0.5
59.01381	6.5
61.98834	100.0
64.58461	0.5
71.01395	3.1
71.42116	1.2
72.99329	0.7
75.00887	0.5
76.44208	0.5
85.02962	2.5
87.00875	0.7
89.02468	1.6
92.96030	0.5
93.31061	0.4
99.00928	1.0
101.02451	1.3
103.04039	1.5
111.00903	5.5
112.98819	1.4
113.02479	1.1
115.00438	0.7
129.01950	0.9
131.03537	0.6
154.99931	0.7
168.99939	0.5
173.00935	2.4
191.02063	1.6
191.05783	0.7
249.06157	0.9
293.08582	0.5
300.43564	0.5
353.10834	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	353.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01379	7.1
61.98824	2.2
63.03673	0.3
67.01891	3.0
70.91050	0.8
71.01400	0.6
72.99316	4.2
73.02960	1.4
75.00880	0.7
83.01401	3.1
85.02961	17.7
86.03288	0.6
87.34104	0.3
99.00893	1.1
101.02482	2.1
101.06090	0.9
111.00898	100.0
112.01231	2.8
112.51915	0.4
113.02460	0.7
117.01968	1.6
117.92108	0.4
129.01955	4.2
134.03702	0.6
135.04549	6.1
154.99887	14.7
156.00238	0.7
159.03073	0.8
163.04108	0.4
167.12244	0.4
173.00931	33.4
174.01256	1.1
179.03525	3.5
191.01991	21.1
191.05598	0.6
192.02319	1.0
205.05083	4.3
233.04541	6.2
245.04535	0.4
278.93179	0.4
293.15970	0.7
353.08798	3.8
353.13531	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	353.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24020	0.6
57.03450	0.7
59.01383	49.0
61.98835	0.8
67.01894	2.2
70.47863	1.7
71.01380	2.0
72.60030	0.4
72.99317	8.3
73.02959	6.4
83.01387	2.8
85.02962	26.0
86.03297	0.5
89.02438	0.6
91.08201	0.6
99.00901	1.7
101.02456	3.2
103.04030	0.7
111.00903	100.0
112.01238	3.1
113.02458	0.7
117.01965	6.9
117.03683	0.5
119.05050	1.0
121.02949	0.6
125.02484	2.4
129.01974	9.1
134.03874	0.6
135.04556	4.3
141.34224	0.5
147.04524	0.8
154.38399	0.5
154.99886	14.4
156.00150	0.7
159.03099	0.6
161.02621	0.5
161.04587	2.4
161.05975	0.8
163.04080	0.5
169.09155	0.5
173.00937	46.4
174.01317	2.0
179.03552	1.5
187.02557	1.0
191.02003	57.3
191.05626	2.1
192.02377	2.0
203.03578	0.8
205.05055	7.2
215.03270	0.6
231.10262	0.7
233.04573	9.7
234.04967	0.6
245.04626	0.9
263.05667	2.7
293.16156	4.6
353.08765	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	351.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21866	0.3
59.01382	100.0
60.01727	1.2
61.98835	1.1
67.16539	0.3
69.43793	3.6
71.01388	2.1
73.02961	1.0
83.01393	0.7
85.02979	1.3
101.02444	2.2
102.88313	0.3
113.02480	0.9
133.03001	0.5
161.04579	1.9
177.50368	0.4
291.18134	4.8
351.18317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18246	1.1
58.54668	0.9
59.01376	5.2
61.98823	2.3
70.25604	4.9
71.02507	1.0
74.41901	0.9
80.05046	2.0
82.06609	6.3
83.26733	1.1
85.02962	1.5
85.06573	1.2
85.55978	1.0
86.76958	1.0
91.82598	1.2
95.02517	1.4
98.20573	1.4
108.04550	1.2
110.06143	2.5
111.00898	5.4
112.07685	3.2
114.09257	8.7
129.10361	21.5
130.08757	74.1
131.09050	2.5
135.04547	1.3
136.06421	3.1
137.07217	1.6
138.08014	1.9
139.08818	6.9
151.05090	3.0
152.14392	1.4
153.06705	3.7
156.06677	12.0
158.08257	4.8
167.08258	1.9
173.04547	1.1
178.12396	11.2
179.03537	1.6
179.08278	4.5
180.13924	1.9
191.02095	1.1
191.05666	7.1
193.09816	11.9
193.13463	11.7
195.15047	19.4
197.16597	11.3
205.13438	1.5
207.11423	2.0
221.12996	21.4
222.13599	2.8
223.14536	12.5
224.15010	1.1
252.17157	2.2
263.86661	1.2
265.22809	12.6
266.12689	32.9
266.22922	2.0
267.13428	18.1
268.14059	1.5
308.23465	15.1
309.21527	5.7
335.19736	2.0
352.22409	100.0
353.22736	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	352.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.3
61.98840	2.9
67.97229	1.1
68.48819	1.2
71.01382	1.1
75.53463	1.3
79.65783	1.2
80.05067	3.4
82.06636	4.7
84.08177	1.2
85.06650	1.1
97.06622	1.4
98.20608	5.0
101.02415	1.2
110.06108	3.6
111.00904	3.7
112.07692	4.4
113.88691	1.3
114.09277	9.9
126.05686	1.2
129.10371	24.7
130.08755	87.7
131.09090	3.6
135.04568	2.2
136.06459	3.2
137.07173	1.8
138.08008	2.2
139.08804	6.0
142.06639	1.5
151.05138	2.6
152.14458	3.1
153.06732	4.9
156.06683	16.3
158.08232	4.1
165.06709	1.6
167.08264	4.1
173.00974	1.8
178.11041	1.9
178.12389	12.5
179.03520	2.4
179.08316	8.1
179.12718	1.6
180.13953	2.4
191.05588	7.7
191.10811	1.4
193.01175	1.1
193.09846	10.4
193.13460	13.3
195.15021	18.2
197.16599	13.9
207.11424	1.7
221.12956	27.0
222.13464	1.7
223.14534	12.5
224.12956	1.4
245.60237	1.1
252.17236	1.9
265.22852	15.7
266.12708	35.2
266.22974	1.6
267.13412	21.8
268.13776	1.3
290.22073	1.4
291.20938	3.0
308.23456	12.9
309.21512	6.9
335.20059	2.7
352.22437	100.0
353.22821	15.3
368.28891	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36982	0.5
51.39127	0.6
53.79533	0.6
55.01873	1.2
57.03444	2.8
58.00579	0.8
58.47411	0.5
59.01091	1.0
59.01379	19.1
61.98829	5.1
67.01908	0.5
68.99813	1.6
69.03458	0.8
71.01384	18.5
71.48555	1.1
72.99316	5.1
73.02942	1.6
75.00875	17.3
83.01395	1.2
85.02956	23.3
87.00879	8.3
87.06911	0.5
89.02448	5.0
95.01403	5.0
96.99349	0.6
99.00903	9.6
101.02416	0.9
101.06091	94.5
102.06419	3.0
103.00402	3.1
111.00898	8.3
113.02463	29.9
114.02769	1.2
115.00372	2.6
116.92838	1.1
117.01945	3.7
129.01941	2.0
134.03755	2.0
148.49422	0.5
154.99855	1.0
157.01477	1.2
173.00909	2.6
175.02521	3.8
193.05080	1.7
205.07149	2.6
223.08191	0.7
224.20029	0.6
231.05109	1.1
247.06186	0.6
249.06152	6.3
267.07114	5.7
291.11224	0.6
307.08304	0.6
309.66074	0.5
332.15915	0.6
333.11923	3.3
351.12952	100.0
352.13339	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	351.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36404	0.6
59.01388	5.9
60.04126	0.7
69.26056	0.5
71.01385	0.6
71.70445	1.1
71.95078	0.5
72.99315	7.5
80.31113	0.6
88.11379	0.6
90.00436	0.6
92.33938	0.6
95.05038	5.6
97.06608	1.4
111.00928	0.7
119.05054	8.3
133.03038	0.7
139.07639	3.9
147.04547	83.4
148.04877	4.6
165.05595	100.0
166.05925	5.5
171.10301	11.2
203.12901	82.3
204.13228	6.2
233.69800	0.8
351.18066	1.4
352.18256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79913	0.4
55.01868	0.7
57.03454	2.6
59.01382	12.0
67.01894	0.5
68.99808	0.9
69.03443	0.5
71.01389	11.8
71.10146	0.8
71.10476	0.7
72.18616	0.4
72.99314	3.9
73.02943	0.8
75.00446	0.8
75.00879	14.7
83.01396	0.7
85.02962	16.4
87.00892	4.8
88.51198	0.4
89.02442	2.7
95.01405	5.1
99.00897	8.7
101.06095	100.0
102.06452	2.7
103.00377	1.3
107.51906	0.5
111.00895	0.7
113.02464	20.6
114.02817	0.5
115.00394	1.8
117.01966	2.5
129.01965	1.3
157.01410	0.7
158.97372	0.4
171.00911	0.4
175.02536	2.5
189.04079	0.5
205.07245	0.8
221.14427	0.5
231.05145	2.0
249.06148	17.5
250.06496	1.2
267.07257	1.3
291.10944	1.1
333.12073	2.8
351.12976	79.0
352.13315	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	349.1143
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01880	1.1
57.03459	2.5
58.00594	1.2
59.01380	29.9
61.98828	2.0
67.01889	1.0
68.99815	0.9
69.03464	1.3
69.78104	3.8
71.01388	26.7
72.99313	5.4
73.02950	3.2
75.00877	15.8
76.01927	0.5
79.31310	0.5
81.03440	0.8
83.01401	1.5
85.02438	1.2
85.02955	21.7
87.00053	0.5
87.00883	7.7
87.68586	0.5
88.44366	0.5
89.02454	13.6
93.73495	0.5
95.01392	5.8
99.00896	9.7
99.04532	100.0
100.04877	3.4
101.02450	7.4
103.00403	1.8
103.03958	0.6
104.04849	0.5
111.00921	0.8
113.02463	25.1
115.00384	2.1
115.98399	0.5
117.01974	3.5
119.03532	4.4
120.60281	0.6
124.64944	0.5
129.01973	1.5
131.03528	1.0
161.04575	3.5
175.02505	3.1
179.05637	1.3
187.13454	1.9
231.05147	3.9
235.16257	0.6
249.06148	23.7
250.06544	1.2
267.07175	4.7
289.09488	1.0
294.78265	0.6
300.48633	0.6
331.10202	3.1
333.76456	0.6
349.11417	78.5
349.18707	8.2
350.11807	8.0
350.19101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54766	0.3
57.03441	0.4
59.01381	100.0
60.01713	1.5
61.98834	0.7
68.99849	0.4
71.01375	2.6
71.71783	0.5
71.80393	0.3
72.99318	0.3
73.02955	0.7
83.01395	0.3
85.02984	1.0
94.65326	0.3
99.00907	0.9
101.00500	0.3
101.02455	1.9
113.02488	1.0
121.21883	0.3
125.02477	0.4
136.07668	0.3
140.33202	0.3
144.63959	0.3
161.04643	1.5
178.18565	0.3
179.08160	0.3
289.16571	3.9
349.20190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
55.55431	0.2
58.00548	0.1
59.01380	9.9
59.93509	0.2
59.96883	0.1
61.98838	0.8
71.01382	2.7
71.70758	0.3
72.99318	0.4
73.02962	0.7
75.00906	0.2
78.95912	0.2
79.10670	0.2
83.01419	0.4
85.02967	1.0
87.00856	0.2
89.02451	1.1
95.01380	0.2
96.96989	0.4
98.02499	1.2
99.00898	0.4
101.02465	1.9
102.05641	0.2
107.06340	0.2
108.04563	0.5
110.02501	0.2
111.00925	0.8
113.02456	1.1
119.03536	0.3
123.04521	0.4
128.03558	0.3
129.05573	0.5
130.05070	0.2
134.03746	0.3
143.03600	0.3
144.04576	100.0
145.04924	5.6
152.03545	1.7
153.05609	0.8
154.99982	0.2
159.02945	0.3
161.04601	1.6
170.08322	0.2
175.02466	0.2
179.05659	0.2
188.09451	0.2
189.07661	1.0
192.95924	0.2
193.05095	0.3
227.38153	0.2
290.12292	0.8
291.10870	0.5
300.79147	0.1
306.09930	1.2
315.10916	0.2
350.14386	0.3
351.07465	0.4
351.13016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
57.03447	16.0
59.01384	9.4
67.01908	2.1
68.99828	4.2
70.20018	6.7
71.01390	57.1
72.99321	3.5
73.02953	8.1
75.00886	3.1
83.01402	16.2
85.02962	8.9
87.00893	3.9
98.19801	1.3
99.00896	48.9
100.01240	1.9
101.02461	3.0
103.00416	2.6
104.40871	1.2
111.00899	26.9
112.98836	92.3
113.99200	2.3
115.00395	6.7
115.82626	1.3
124.98840	7.0
125.02466	13.8
129.01970	27.2
130.02420	1.8
139.77318	1.3
140.98344	1.5
142.99895	100.0
144.00279	4.6
145.01450	8.6
173.00946	66.2
174.01288	3.4
175.02505	2.4
210.62907	1.2
223.58051	1.2
255.00102	1.6
283.17004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17822	0.4
55.01888	6.0
57.03452	2.4
59.01365	1.1
61.34954	0.4
61.98822	0.5
66.09643	0.5
68.50696	0.4
69.03476	0.8
71.38123	0.4
71.42815	1.0
71.43230	0.9
72.99325	1.1
81.03460	1.3
83.05037	0.8
83.93731	0.4
93.07107	10.1
107.27087	0.4
109.06609	1.6
111.08178	31.2
112.08506	1.3
119.05041	1.9
133.02960	1.1
137.06087	1.2
147.04547	28.6
148.04910	1.5
153.05606	0.6
155.07166	100.0
156.07503	4.8
165.05598	14.1
166.05923	0.6
174.45099	0.6
177.34698	0.4
178.02734	0.7
199.06139	58.1
200.06442	3.7
206.05850	0.5
211.15640	0.6
250.04918	1.3
267.66653	0.5
303.12497	1.8
311.62134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94740	0.1
59.01387	0.4
61.22343	0.1
61.98835	100.0
62.98538	0.2
62.99253	0.1
63.99261	0.1
71.69696	0.1
71.70169	0.1
89.92583	0.1
92.31551	0.1
125.06130	0.1
141.63477	0.1
145.49843	0.1
159.22363	0.1
162.98505	1.4
163.98466	0.1
164.96445	0.9
178.25687	0.1
201.02612	0.1
204.00021	0.5
205.00191	0.4
205.99709	0.8
206.97470	69.4
207.97578	5.4
348.98557	0.5
349.98538	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	345.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.7
57.91816	0.4
59.01329	27.3
60.01674	0.5
61.98783	0.9
71.04990	0.7
71.70775	0.3
71.71220	0.5
85.06544	0.5
99.08160	2.5
109.06555	1.0
111.08117	1.3
113.09737	4.0
119.04936	0.4
123.08132	1.1
124.01582	0.4
125.09713	0.9
127.11246	1.5
129.09242	5.0
130.09506	0.3
139.11310	0.7
141.09238	2.0
143.10802	10.5
147.04489	0.4
153.05530	0.5
155.10742	1.4
155.11935	0.3
157.12390	1.9
157.90205	0.3
165.05554	0.5
167.06537	0.3
169.12366	0.6
171.13901	0.5
209.19106	0.5
225.18633	0.5
227.20168	1.6
237.18600	4.9
239.20274	2.4
255.19600	1.5
257.21222	10.2
258.21545	0.9
285.20700	21.1
286.21078	2.0
302.45599	0.3
303.21774	100.0
304.22128	9.3
306.60345	0.4
345.22852	29.4
346.23123	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	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.0
60.01717	0.7
61.98834	100.0
71.18987	0.5
84.85435	0.2
95.67608	0.2
100.92346	0.2
123.92010	0.2
159.03360	0.3
201.02589	1.2
202.02718	3.6
203.02312	4.4
204.00011	54.6
205.00185	4.8
346.01151	1.0
347.01419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69109	0.4
55.58617	0.4
58.86688	0.5
59.01384	13.6
61.98831	1.0
71.01387	7.8
71.04161	0.8
71.04482	0.6
73.02967	0.5
78.03724	0.5
84.00919	0.6
85.02953	0.7
95.05048	4.3
98.19791	0.4
101.02457	0.6
111.04518	0.5
112.04063	35.8
113.02509	0.9
113.04393	1.0
122.06123	1.6
124.03186	0.8
124.04053	10.8
125.02440	0.8
126.05637	4.9
138.05563	1.3
138.09250	0.6
140.07211	4.5
141.05614	0.6
151.61391	0.4
154.05122	7.6
154.08704	0.5
164.07147	0.8
166.05116	100.0
167.05444	4.9
176.50729	0.4
182.08241	35.3
183.06711	0.5
183.08548	1.9
184.06152	12.1
185.06516	0.6
208.06073	1.0
226.07213	10.2
227.07599	0.7
247.69583	0.4
286.09225	0.5
302.12100	0.5
328.10464	3.2
346.11450	36.4
347.11865	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	345.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98951	0.5
55.01880	0.5
57.03442	0.8
59.01376	1.8
61.98817	1.1
67.01885	0.7
69.03437	0.6
70.54148	0.5
71.01389	0.7
71.05018	0.5
72.99310	0.7
80.02683	15.8
81.03022	1.1
81.03462	5.7
83.05024	0.7
85.02961	0.8
91.05520	1.2
93.03503	0.6
97.02969	2.6
98.35638	0.5
101.02458	0.7
107.05048	4.6
109.06606	49.6
110.06940	1.5
119.05006	0.8
137.06091	0.7
138.06888	5.7
147.04527	5.6
153.05591	100.0
154.05928	5.2
165.05559	2.7
166.06277	0.5
195.13780	0.5
197.04555	8.9
198.04939	0.5
213.12889	1.0
227.12959	0.7
229.12381	0.7
301.10782	1.1
340.75439	0.5
345.13815	0.5
345.22940	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	345.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.2
60.04718	16.3
61.98836	27.8
66.19408	15.5
82.40324	14.8
101.64146	15.7
104.27048	20.2
121.02968	23.7
151.34702	16.3
165.05545	22.1
172.23636	16.2
265.96051	16.2
291.19644	52.2
309.20709	100.0
309.98227	17.5
345.13150	23.0
345.17078	31.8
345.20773	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	344.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
61.98848	0.4
70.73264	1.2
72.99317	2.3
116.05074	4.0
121.03036	0.4
122.03738	0.5
128.05090	1.7
130.06631	1.7
132.04611	0.4
142.06642	100.0
143.06999	6.0
144.04578	0.4
147.90213	0.3
155.27290	0.3
157.07405	0.6
157.08717	9.5
158.06126	10.1
158.09039	0.6
159.06485	0.6
167.56854	0.3
172.04051	0.6
186.05621	47.9
187.05927	3.4
187.08751	0.4
204.06667	48.7
205.06956	3.2
344.14899	0.3
345.17081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31024	0.6
57.03440	0.8
59.01385	12.4
61.98830	1.1
68.48586	0.6
69.03452	0.6
71.01389	1.0
71.05033	1.4
71.71395	0.6
71.71787	0.7
75.00874	2.1
80.02686	15.6
80.03164	0.8
81.03456	4.6
82.64082	0.6
83.05039	1.2
91.04697	0.7
91.05533	0.9
93.03497	0.8
97.02975	2.2
97.06607	0.6
107.05066	4.5
109.06609	50.0
110.06939	2.5
119.05035	1.2
121.08958	0.6
125.06144	0.6
129.09264	0.8
135.03021	10.9
138.06889	4.4
139.51126	0.6
147.04544	5.2
147.07996	0.7
153.05597	100.0
154.05923	4.9
157.12383	0.9
165.05579	5.2
165.12857	5.7
166.06319	0.8
169.12347	1.2
171.13904	4.3
181.15979	0.7
183.13914	24.1
184.14317	1.1
197.04584	9.4
213.13005	0.9
227.12903	19.6
227.15092	1.3
228.13237	1.1
229.12259	0.9
237.18578	1.5
239.20222	0.7
255.19725	0.7
257.21298	2.3
285.20670	8.9
301.10632	1.0
301.17996	0.9
303.21777	37.7
304.22156	2.5
327.12228	0.7
345.15952	5.7
345.22931	11.7
346.23297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78029	0.8
55.01873	1.1
57.03452	1.2
58.00594	2.6
59.01381	57.9
60.01704	0.9
61.42697	0.6
61.98836	20.2
64.58349	0.7
71.01389	33.3
71.33938	1.2
71.34284	1.0
72.01727	0.6
72.99323	2.7
73.02956	1.8
74.99532	0.8
77.15055	0.6
83.01411	2.7
85.02962	10.1
87.00893	1.6
89.02459	26.4
90.02786	0.8
92.05071	8.4
94.03001	1.3
95.01403	3.3
99.00883	1.3
101.02464	18.7
108.04578	3.9
113.02471	12.3
119.03522	10.0
119.05020	2.3
120.04580	23.2
120.05429	1.4
121.02985	1.0
121.04935	0.9
122.02496	0.8
122.06152	6.1
130.08778	0.9
132.98270	0.9
133.01534	0.7
135.04532	2.2
136.04057	6.3
137.04814	1.3
138.05635	38.4
139.04002	1.1
139.05984	2.3
147.04553	1.7
150.04224	1.0
161.04620	1.1
164.03561	81.2
165.03902	4.8
165.05273	1.0
179.05588	0.9
180.06688	2.8
183.02905	0.9
183.06609	1.1
201.02585	2.0
202.02806	0.9
208.14241	0.7
240.96689	0.8
243.38390	0.7
297.92789	0.6
300.10913	18.9
301.11316	1.4
344.09872	100.0
345.10193	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	344.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.0
59.01381	25.9
60.01706	0.9
61.98528	0.8
61.98822	5.0
62.98516	0.7
71.01388	21.2
71.12460	1.0
71.12775	0.9
72.00578	1.0
72.00916	10.7
72.99317	1.6
73.02963	0.8
77.49010	0.7
83.01385	0.8
85.02951	2.1
87.00886	0.9
89.02452	25.1
95.01409	1.7
97.02899	1.0
97.47397	0.7
101.02454	6.5
108.04589	1.2
112.06314	0.7
113.02467	7.5
118.98111	2.1
119.03505	4.1
119.05020	1.2
120.04580	1.4
121.02991	1.0
122.02498	9.8
122.03793	0.8
123.04536	3.6
125.02449	1.1
131.03532	1.4
135.04555	1.0
136.04079	2.1
138.05653	3.5
143.03484	2.7
147.04541	40.2
147.06447	1.4
148.04875	1.7
149.02441	0.8
149.04619	0.9
150.03244	1.3
152.03531	1.1
161.04559	2.1
163.04034	1.1
164.03506	4.2
164.07182	100.0
165.01926	1.2
165.05603	3.6
165.07547	6.4
166.99905	1.0
167.40387	0.7
168.04308	1.3
179.05615	6.9
181.05112	2.1
182.05414	2.2
183.02988	1.9
183.06622	3.7
210.07794	1.2
252.96344	0.8
254.07294	1.3
284.07825	0.8
300.11139	0.8
335.11060	0.7
344.10153	5.1
344.18497	1.0
344.94452	0.8
345.08038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01381	26.9
61.98827	0.6
64.42618	0.2
69.03441	0.6
71.01374	0.5
71.05022	1.9
72.99303	0.7
83.05032	1.1
85.02972	0.5
85.06606	2.0
88.55150	0.3
95.05049	0.3
97.06610	3.0
98.19850	0.7
99.08129	0.4
101.02444	0.2
111.04516	1.1
111.08155	0.3
113.09762	0.4
115.07664	5.6
125.09743	0.2
127.11277	0.9
129.09264	0.5
139.11284	1.0
142.06631	1.0
143.07025	1.1
155.10756	0.7
157.12352	3.9
158.12744	0.3
163.14944	0.6
171.13947	0.4
177.16440	0.7
181.15979	0.5
186.05588	0.6
191.18056	0.8
219.17558	0.5
221.19031	0.3
229.87839	0.3
237.15002	0.3
237.18582	3.5
238.18950	0.3
255.19598	0.3
255.80180	0.2
265.18143	1.2
266.18512	0.3
270.01746	0.4
283.19162	20.5
284.19446	1.7
285.03989	0.3
301.20206	100.0
302.20538	12.0
302.24051	0.4
311.43042	0.3
313.03549	2.3
314.03760	0.4
343.08292	2.7
343.21271	22.3
344.21634	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	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59300	0.6
59.01380	100.0
60.01722	1.5
68.67101	0.5
69.57096	4.8
71.01390	4.4
73.02959	1.0
78.84901	0.5
78.95923	0.6
85.02969	1.9
85.63036	0.5
89.02459	1.0
95.01414	1.5
97.03025	0.7
101.02450	2.7
111.00884	0.7
113.02486	1.6
113.28170	0.5
114.05648	2.3
121.02989	1.4
130.08745	0.8
134.04785	1.9
137.06154	1.1
139.00443	0.6
142.06604	0.6
149.02483	1.6
161.04524	3.8
166.08745	3.2
168.06685	0.6
181.05083	5.2
227.14107	2.1
228.08846	0.5
283.11847	3.0
343.15094	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	343.1551
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
59.01384	3.3
61.54122	0.5
61.98833	1.0
63.73209	0.5
68.99796	0.6
71.04168	1.4
72.57615	0.5
93.03474	0.9
105.07144	0.6
108.02156	2.9
109.02983	6.0
111.00884	0.9
115.64500	0.5
119.08678	0.9
121.02966	1.3
123.00883	2.5
123.04568	0.6
124.01663	2.2
127.11340	0.8
131.08673	0.9
133.06619	1.2
134.03769	3.4
136.01680	76.1
137.02518	10.8
146.03752	0.9
147.04488	0.5
148.05357	1.8
149.06094	4.1
151.04025	100.0
152.04379	5.6
153.52438	0.5
157.06560	0.7
160.05316	3.9
161.06044	0.9
163.04008	0.6
163.07645	1.4
163.32562	0.5
164.04829	0.8
165.05559	2.5
171.10283	7.9
173.06100	1.4
175.07655	12.5
176.08495	4.0
177.09047	0.8
186.06851	1.0
190.06396	0.6
191.07175	1.0
191.10907	0.8
203.07130	0.7
280.07391	1.7
295.09805	5.2
310.12170	5.2
314.10645	0.5
325.14453	7.2
326.14661	0.8
328.13211	3.8
343.15521	48.0
343.24597	6.4
344.15863	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	343.1036
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01880	0.6
57.03437	0.8
59.01386	2.8
60.30135	0.5
67.02209	0.4
68.99837	0.4
69.69845	1.4
69.70270	1.9
71.01387	3.2
73.02940	1.1
83.01373	0.8
85.02954	1.5
87.00847	0.5
89.02434	0.8
93.05628	0.4
99.00916	0.6
101.02455	2.0
107.05058	0.8
108.02226	0.5
109.02980	1.3
109.61288	0.6
113.02469	1.1
121.02968	0.7
121.06618	0.9
122.03757	13.3
123.04535	1.7
134.03760	1.4
135.04553	2.1
136.05316	74.9
137.02510	0.8
137.04713	0.5
137.06165	9.3
138.06471	0.5
149.06056	1.2
151.04013	0.9
152.06979	0.5
154.02745	0.7
161.04565	0.5
163.04063	0.6
166.06328	2.5
176.04865	0.6
177.87112	0.4
179.07173	3.3
180.04295	100.0
181.05064	21.1
181.08717	47.9
182.05461	0.8
182.09052	2.5
191.07103	1.8
193.05077	2.8
194.05402	0.6
195.05652	0.8
207.06577	0.5
209.08286	0.6
223.05986	0.5
253.07300	1.2
261.26370	0.5
287.06180	0.5
293.60254	0.5
309.14737	0.7
313.10880	0.7
343.10333	77.1
343.13919	5.4
344.10660	7.7
344.14365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01381	4.3
61.98816	0.6
69.03455	2.3
71.01395	2.1
81.03453	0.5
83.05030	1.5
84.02173	1.5
85.02956	0.7
89.02458	2.8
91.04967	0.3
97.02940	0.5
97.06604	12.3
98.20638	1.2
99.04526	0.5
101.02432	0.9
104.57199	0.4
107.62375	0.4
119.03503	0.8
119.05058	0.4
121.10260	0.7
125.09743	1.6
135.12613	0.4
137.09732	1.2
143.03520	0.5
149.13341	0.6
151.11327	0.4
153.09061	0.4
165.12854	1.3
171.10286	5.4
175.11266	1.2
177.12981	0.4
179.05621	1.0
179.16292	0.4
183.13893	0.5
183.90065	0.4
185.11784	0.8
193.12354	18.4
194.12703	1.4
197.11690	0.4
197.15436	0.7
211.13429	2.8
212.13762	0.4
221.11806	1.4
225.14973	23.1
226.15306	1.8
242.74365	0.4
243.16008	8.3
244.16296	1.0
253.14488	1.5
276.50153	0.4
291.19690	0.4
299.18637	0.8
305.21277	0.4
323.22260	0.5
341.10803	1.4
341.23346	100.0
342.23709	14.4
342.28006	0.3
342.29703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.98799	0.4
65.09072	0.3
67.43886	0.4
70.00810	0.3
71.01389	3.4
71.29228	0.5
71.29565	0.4
72.99291	0.3
80.18814	0.3
85.02963	0.5
87.00849	0.3
89.02455	3.4
91.05544	0.7
93.21174	0.3
98.20580	0.3
101.02451	2.1
113.02490	1.6
119.03497	1.1
119.05035	0.3
125.02387	0.3
133.02931	0.6
135.04573	1.7
137.02394	0.4
145.02983	3.1
152.06326	0.3
161.02422	1.3
161.04633	0.5
168.06499	0.3
179.03522	1.1
179.05624	1.9
179.07170	0.7
180.05858	0.5
194.07457	0.6
196.05325	0.9
196.08928	0.5
207.08174	0.4
208.05409	0.5
210.07204	0.7
211.07658	0.6
217.07361	0.4
221.06340	0.5
222.06888	1.3
223.07668	0.7
224.04811	4.9
224.08281	0.8
225.05334	0.6
225.09209	1.2
227.10797	2.1
228.11026	0.4
235.07607	0.9
236.08377	0.8
237.05725	0.7
237.09126	0.5
238.06340	7.0
239.07060	0.8
239.10735	2.5
240.11139	0.5
241.08719	3.2
249.05597	0.4
250.06419	0.4
251.07277	0.8
252.04283	1.7
252.07881	0.8
253.08815	1.6
254.09451	2.8
255.10254	9.5
256.10638	1.0
263.07285	0.5
264.07755	0.3
265.04907	0.6
265.08633	0.8
266.05838	5.5
266.08896	0.6
267.06396	0.8
267.10190	2.3
269.11823	3.9
270.05225	1.4
270.12555	3.5
279.09766	0.6
280.07379	0.5
281.08063	1.1
282.09061	1.4
283.09769	49.0
284.10098	5.1
293.08234	0.8
294.08960	2.6
295.09760	5.7
296.10400	3.3
297.11276	2.7
298.04944	0.3
298.08496	0.5
298.12021	4.0
299.12418	0.7
309.11270	2.3
310.08383	1.5
310.12085	2.7
311.09262	100.0
312.09601	10.6
312.13278	0.6
325.10831	14.2
326.11594	64.8
327.11951	7.5
330.11072	0.5
341.13971	95.4
342.14279	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77094	0.3
59.01382	3.0
59.41573	0.3
61.98815	0.4
69.03458	2.5
69.77486	2.3
71.01386	1.8
82.17174	0.3
83.05046	1.6
84.02175	3.6
85.02934	0.4
87.86662	0.3
89.02445	1.8
95.04980	0.4
97.02971	0.9
97.06605	11.1
98.19883	0.6
99.04523	1.2
101.02482	0.5
101.10616	0.3
107.62263	0.3
111.08218	0.5
113.02444	0.4
119.03506	0.5
119.05058	0.5
121.10251	0.4
125.09722	1.5
127.11302	0.7
130.08734	0.4
135.08165	0.4
137.09721	1.2
141.67812	0.4
149.09677	0.3
149.13379	0.4
151.11353	0.5
153.09204	0.4
161.02534	0.4
165.12823	0.8
171.10287	12.1
172.10663	0.8
175.11310	1.2
179.05551	0.7
185.11862	1.0
193.12355	15.1
194.12674	1.2
197.15466	0.7
203.10794	0.3
207.13873	0.3
209.11644	0.4
211.13440	2.7
212.13843	0.3
221.11841	1.2
225.14969	21.1
226.15291	1.7
243.16000	6.4
244.16333	0.6
253.14395	1.6
254.14911	0.4
276.93756	0.4
291.19711	1.2
305.21082	1.0
323.22321	0.7
324.11337	0.3
341.23346	100.0
342.23688	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	341.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74138	0.3
59.01385	2.9
62.28273	0.3
69.48840	0.9
69.49247	2.4
71.01387	1.8
81.40150	0.3
82.59309	0.4
85.02931	0.4
89.02458	1.6
91.05536	0.8
98.20630	0.7
101.02470	0.7
113.02452	0.8
119.03474	0.5
133.02824	0.4
135.04550	0.8
145.02986	2.8
147.04507	0.3
151.00380	0.4
161.02472	0.6
161.04582	0.4
161.62878	0.4
165.05637	0.5
179.03540	0.5
179.05640	1.0
194.07341	0.7
196.05292	1.0
206.13203	0.4
207.07993	0.6
208.05176	0.5
209.06139	0.4
210.06886	0.7
211.07596	0.4
220.73586	0.3
222.06857	1.4
223.07547	0.9
224.04819	5.8
224.08286	0.7
225.09232	0.8
227.10867	2.0
235.07503	0.4
236.08249	0.5
237.05563	0.7
237.09241	0.5
238.06354	7.4
239.06973	1.1
239.10747	2.5
241.08708	3.5
249.05655	0.4
250.06404	0.6
251.07089	1.3
251.16591	0.6
252.04269	1.3
252.07794	1.0
253.08751	1.0
254.09529	1.8
255.10266	9.8
256.10733	0.7
263.37155	0.4
265.05066	0.7
265.08667	1.3
266.05820	6.1
266.08777	0.6
267.06363	0.9
267.10196	2.1
269.11798	4.0
270.05286	1.4
270.12512	3.4
280.07449	0.7
282.08932	2.1
283.09769	48.5
284.10107	5.6
293.08142	0.5
294.09015	1.6
295.09772	5.3
296.10535	3.4
297.11328	2.4
297.14331	0.4
298.04825	0.5
298.12048	4.2
301.10864	0.3
309.11130	1.8
310.08499	1.5
310.12039	2.4
311.09265	100.0
312.09589	9.7
312.13245	0.5
325.10800	14.2
326.11594	63.4
327.11990	6.5
341.13965	95.5
342.14313	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03442	1.2
57.22546	0.5
58.00598	3.8
59.01378	100.0
60.01715	0.6
69.03455	0.7
69.78416	3.6
69.78812	0.9
71.01385	71.7
72.01719	1.5
72.99307	3.5
73.02956	2.7
75.00872	1.4
83.01398	2.2
85.02962	10.2
87.00894	4.4
89.02453	85.0
90.02782	1.3
95.01402	4.3
97.02961	0.9
101.02456	36.1
102.02786	1.1
113.02462	29.1
119.03514	31.1
120.03862	0.6
125.02461	1.9
131.03513	5.4
133.02885	0.5
135.04564	2.8
143.03519	8.7
149.04559	10.0
161.02448	1.2
161.04565	9.8
179.03569	2.2
179.05621	35.2
220.59279	0.5
221.06544	0.6
237.64122	0.5
248.90263	0.6
305.06729	1.7
341.10901	53.1
342.11285	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03461	0.9
58.00588	4.0
59.01379	100.0
60.01715	1.1
71.01387	68.6
71.69700	0.6
72.01725	1.7
72.99307	4.1
73.02952	2.4
73.87343	0.5
76.97926	0.5
83.01391	2.7
85.02960	9.3
85.17081	0.5
85.17600	0.5
85.24684	0.5
87.00890	5.1
89.02454	80.0
90.02780	1.4
95.01406	4.3
99.00910	0.7
101.02457	33.3
102.02803	1.3
104.46681	0.6
107.03543	0.6
113.02461	26.2
113.64671	0.6
114.02842	0.5
119.03518	28.8
120.03842	1.3
125.02441	1.1
128.99365	0.6
131.03546	4.3
131.04395	0.9
133.03006	0.9
135.04549	1.6
143.03551	7.3
149.04596	7.3
161.02492	5.1
161.04568	9.3
162.04895	0.8
179.05629	33.8
180.05978	1.9
188.83220	0.6
341.10907	51.0
342.11319	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	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03447	28.4
59.01378	16.4
61.98824	0.9
65.00360	0.4
69.43983	1.6
69.44415	3.1
71.01385	8.9
72.99317	0.9
73.02950	0.6
75.00871	3.0
83.01411	0.7
85.02949	1.6
87.00888	1.5
89.02451	10.8
93.03471	1.0
95.01385	0.6
99.00867	0.5
101.02457	6.1
105.01931	1.2
107.01396	0.4
109.02978	2.4
113.02473	3.8
117.03484	1.9
119.03513	4.2
119.05015	0.5
121.02972	24.9
122.03298	0.7
129.01918	0.8
131.03548	0.6
133.02974	1.4
134.03760	17.9
135.04570	4.9
136.04895	0.5
137.02521	0.6
137.86188	0.5
140.84947	0.4
143.03481	0.8
147.02994	1.9
149.02426	1.1
149.04523	0.4
149.06119	2.2
151.00423	1.1
161.02466	6.0
161.04582	1.3
161.05911	0.5
164.04788	0.7
165.04068	9.0
177.05586	1.7
179.03732	7.2
179.05780	4.6
179.07144	100.0
180.06029	0.7
180.07487	6.0
193.03296	0.9
193.05067	17.6
194.05446	1.0
221.04541	1.7
222.05286	0.6
223.06079	1.0
237.07635	1.3
251.05531	3.1
255.08791	0.7
281.06635	4.0
282.06754	0.6
286.05118	0.4
341.05099	0.8
341.12360	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37047	0.7
57.03461	0.7
59.01375	23.5
67.26573	0.7
69.66643	4.6
70.64677	0.7
71.01382	13.6
85.02947	2.6
89.02446	7.6
101.02468	5.5
107.05020	0.8
109.02970	1.4
113.02483	3.3
119.03535	1.3
128.97545	0.7
133.02963	16.9
134.03818	4.8
135.04549	83.1
136.04895	4.7
137.02473	3.6
147.04466	0.7
148.05333	3.0
149.06104	16.3
150.06372	1.1
161.02470	78.5
162.02780	3.4
175.04097	1.3
177.04041	1.5
177.05589	29.1
178.02670	1.4
178.05920	1.9
179.03526	100.0
180.03868	7.0
180.83571	0.7
189.05598	0.8
201.95206	0.7
203.03493	3.8
210.21584	0.8
221.04564	46.8
222.04893	3.1
233.04538	1.7
251.05600	52.9
252.05954	5.4
281.06674	87.5
282.07019	8.1
311.07510	1.0
323.07687	2.7
332.90549	0.8
341.08707	14.9
342.09116	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	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.2
57.03450	12.0
59.01381	11.6
61.98842	0.9
64.50815	0.5
69.90549	1.2
69.90965	1.9
71.01389	10.0
72.99314	1.0
73.02985	0.6
75.00885	2.0
79.02178	0.5
79.95303	0.5
82.12100	0.5
85.02950	2.4
87.00891	1.1
89.02457	7.8
89.03983	2.2
92.22589	0.5
98.20538	0.8
99.00896	1.8
101.02462	5.2
109.02972	1.1
113.02480	2.2
117.03487	9.3
119.03532	2.6
121.02979	10.7
129.01990	4.3
133.02972	2.3
134.03763	88.1
135.04442	6.6
137.02460	1.9
143.03607	0.5
147.03011	7.8
148.63666	0.5
149.04825	0.8
149.06102	9.9
151.00398	0.8
161.02470	7.9
161.04573	1.1
161.06046	0.5
164.04797	0.5
165.04060	4.2
177.05605	2.0
178.02734	4.5
179.03572	7.8
179.05702	2.6
179.07144	41.5
180.03731	0.6
180.07458	2.0
193.05075	100.0
194.05426	7.4
221.04616	2.8
222.18265	0.5
237.07791	0.6
251.05608	3.4
252.05772	0.6
281.06741	5.3
284.73810	0.5
341.04675	0.9
341.08777	3.2
341.11896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01880	1.4
56.99812	0.4
57.03445	1.4
57.36781	0.4
58.00597	4.6
59.01383	100.0
60.01719	1.1
69.84917	0.8
69.85332	1.3
71.01389	74.7
72.01730	1.3
72.99311	4.2
73.02958	2.1
75.00889	1.2
81.03483	0.5
83.01411	2.3
85.02962	10.5
86.03343	0.4
87.00891	4.5
89.02458	86.2
90.02776	1.5
95.01400	4.9
99.00922	0.5
101.02461	35.9
102.02792	0.9
103.61630	0.3
107.03537	0.6
113.02470	28.3
114.02802	1.0
119.03524	31.1
120.03822	0.7
125.02478	1.0
131.03531	4.5
143.03529	9.4
144.03865	0.5
149.04582	2.9
152.18401	0.3
161.04587	10.7
179.05638	38.4
180.05986	1.3
279.36475	0.3
341.10907	60.5
342.11258	4.8
349.57877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73349	0.6
58.00606	0.9
59.01084	1.4
59.01382	21.8
69.53686	6.1
69.54076	1.4
71.01391	19.8
72.99329	0.8
85.02962	1.7
87.00886	1.4
89.02461	21.7
95.79974	0.6
101.02467	4.5
103.85873	0.6
112.04064	0.9
112.07699	1.8
113.02497	5.8
114.02713	0.7
119.03550	2.8
131.03534	1.5
140.07187	1.6
143.03539	1.7
145.97325	0.7
156.06677	5.4
158.08253	100.0
159.08600	3.5
161.04575	1.9
168.85873	0.7
174.01700	1.0
175.02092	0.9
179.05672	7.6
262.37000	0.7
338.08093	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	338.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91151	0.7
58.00589	1.0
59.01085	1.2
59.01381	19.4
61.40659	0.7
70.52786	2.5
71.01385	20.6
71.05020	0.7
72.99309	2.1
73.02947	0.8
75.41330	0.7
83.01366	0.8
85.02958	1.8
87.00887	1.5
89.02453	23.8
93.90145	0.6
95.01392	0.7
97.02970	1.2
98.24999	0.7
101.02460	5.3
101.06072	0.9
112.07729	1.3
113.02464	5.2
119.03524	3.7
131.03542	1.4
133.05061	3.4
138.31133	0.6
140.07274	1.2
142.99887	0.9
143.03514	1.8
147.06680	7.1
156.06671	5.2
158.08249	100.0
159.02977	1.2
159.08588	3.9
161.04614	2.3
171.16656	0.7
179.05615	6.2
186.17372	0.6
198.06238	0.8
225.34052	0.6
276.21414	0.8
278.05930	0.9
338.07935	4.7
339.14282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
57.03431	0.8
59.01387	4.8
62.27791	0.7
62.29858	0.6
67.89214	0.7
69.03580	0.6
69.70051	5.2
71.01387	26.3
74.55252	0.6
85.02977	0.9
87.00919	0.7
91.05560	0.7
98.19819	0.6
101.02417	0.7
105.82343	0.6
111.00893	1.3
115.00390	8.9
117.03465	0.9
119.05021	1.4
121.02962	9.7
122.90694	0.7
132.02176	1.2
133.01448	3.5
135.04488	1.2
147.04547	4.9
149.02466	70.2
150.02808	4.5
152.01146	1.4
163.04039	1.2
164.04826	50.2
165.05217	2.4
179.07132	3.8
182.14996	0.7
193.01424	3.6
208.03813	6.3
223.06126	100.0
224.06467	7.8
253.49031	0.8
271.97040	0.7
319.96838	0.7
326.55594	0.8
339.11197	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	339.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62930	0.4
59.01383	100.0
59.81095	0.4
60.01729	1.3
67.37154	0.4
70.04523	0.4
71.01394	2.5
71.71043	0.5
73.02963	0.9
78.87416	0.4
83.01421	0.8
85.02982	1.1
87.00874	0.5
87.49458	0.4
99.00894	0.5
101.02470	2.6
111.00931	1.5
112.01250	0.6
112.43874	0.4
113.01401	0.7
113.02473	1.0
115.00400	0.6
121.02936	0.5
133.01405	0.4
133.03017	0.7
134.03743	0.9
135.04617	0.4
136.70410	0.5
145.26248	0.4
149.02481	1.5
161.02415	0.4
161.04605	2.1
163.02470	0.5
164.04898	0.8
179.36137	0.4
192.55762	0.4
193.05141	0.8
223.06175	1.4
279.14557	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
71.01388	4.2
71.06641	0.5
71.06992	0.3
73.02985	0.3
83.75097	0.2
85.02946	0.6
89.02465	2.6
101.02470	1.1
108.28326	0.3
109.02992	0.4
113.02451	1.1
119.03541	0.9
132.02214	1.0
133.02977	22.4
134.03271	1.4
135.04544	8.7
136.04858	0.5
148.05312	0.3
149.06090	0.9
161.02463	100.0
162.02800	5.6
165.02707	0.3
175.04025	0.5
177.05605	1.9
179.03508	22.7
180.03830	1.3
203.03517	2.8
221.04564	2.7
227.82881	0.2
251.05559	2.9
281.06668	5.7
282.06845	0.6
284.31989	0.3
341.08759	17.3
342.09048	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	337.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03443	1.6
59.01382	15.3
67.01895	0.7
68.99811	1.1
70.31318	0.5
71.01386	13.3
71.08002	1.3
72.99311	3.4
73.02970	1.0
75.00879	15.1
83.01385	1.2
84.02211	0.5
85.02958	16.5
87.00883	5.4
87.04523	100.0
88.04861	2.3
89.02463	3.7
95.01399	4.4
96.75439	0.4
99.00890	8.0
101.02454	1.4
103.00377	1.7
111.00902	15.2
113.02464	17.7
114.02804	0.8
114.72654	0.5
115.00388	1.8
117.01955	2.8
124.87270	0.5
129.01974	2.1
131.91412	0.5
142.09880	0.4
147.03156	0.6
148.11172	0.6
154.99873	1.9
157.01434	1.0
161.04520	0.5
164.05005	0.5
173.00969	4.7
175.02521	2.4
175.09834	1.0
176.07199	0.8
189.04120	0.5
191.01845	0.5
231.05214	1.3
249.06174	12.6
250.06441	0.8
267.07141	0.9
271.19064	0.5
277.09415	0.9
277.12634	0.5
319.10342	3.4
337.11401	70.0
337.14777	3.3
338.11749	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38424	0.5
59.01379	100.0
60.01722	0.9
71.01391	3.7
71.77566	0.5
73.02955	0.6
75.00867	0.8
85.02980	2.0
86.25217	0.5
89.02489	0.8
98.20680	0.7
101.02494	1.9
101.20071	0.5
109.40595	0.5
111.00905	4.8
113.02471	4.1
115.07664	66.9
116.08038	2.0
119.03522	1.4
125.67436	0.5
129.09251	2.0
135.04608	0.7
157.08746	1.6
161.04578	2.6
173.00929	1.6
221.06789	0.7
221.51312	0.5
277.12985	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83080	0.5
55.01857	0.5
57.03460	1.5
58.00589	0.6
59.01380	100.0
60.01722	0.8
61.98841	0.5
67.01910	0.9
69.74197	3.6
71.01385	13.3
72.99306	2.6
73.02950	1.0
75.00889	5.6
83.01385	0.7
85.02953	10.4
87.00894	4.2
87.04523	37.3
88.04850	0.7
89.02457	9.7
95.01414	2.1
98.01759	0.4
99.00880	3.9
101.02451	3.8
103.00376	0.9
111.00898	12.8
112.03109	0.5
113.02468	14.1
115.00401	1.9
115.10854	0.4
117.01956	1.0
119.03536	3.7
126.12533	0.5
129.01988	1.0
131.03569	0.9
143.03514	0.6
154.99887	1.5
157.01520	0.6
161.02451	0.9
161.04526	1.4
162.27559	0.4
173.00946	4.0
175.02509	2.4
175.06439	0.9
176.07190	1.0
177.01895	1.0
179.05623	3.1
205.07201	0.5
214.22095	0.5
231.04990	0.5
233.04503	0.5
247.14651	0.4
249.06116	2.5
267.07129	1.2
277.12909	1.2
309.66016	0.4
319.10480	1.2
337.11398	30.1
337.15030	2.0
338.11707	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26564	0.4
55.36429	0.4
57.03432	0.5
59.01373	1.3
67.01894	3.0
71.01389	0.8
72.99309	3.7
73.02961	1.0
83.01400	2.6
85.02960	15.2
98.19902	1.0
99.00893	0.9
101.02470	2.8
111.00899	100.0
112.01247	2.9
116.24383	0.4
117.01964	1.1
119.05047	0.8
121.29313	0.4
121.30678	0.4
129.01958	4.8
141.72122	0.5
154.99884	16.2
155.58334	0.4
163.04013	0.5
173.00931	38.5
174.01282	1.8
191.01985	8.2
192.81636	0.4
206.22601	0.5
215.60536	0.4
337.15088	1.9
337.20209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.078
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
54.75543	0.4
55.01854	0.7
56.33488	0.4
57.03447	0.8
59.01386	8.8
68.99822	2.9
69.03455	0.9
71.01389	7.2
71.70399	0.6
72.99294	0.5
73.02949	1.3
75.00882	1.3
83.01391	1.7
85.02967	7.1
87.00890	2.4
89.02457	5.3
95.01389	1.0
96.04622	0.9
97.02969	0.5
99.00903	5.2
101.02457	2.3
105.49890	0.4
105.81889	0.5
110.89948	0.8
111.00918	2.2
112.07718	0.5
112.89706	0.6
112.98822	0.5
113.02478	7.6
113.99610	17.7
115.00420	5.7
119.02000	0.4
119.03516	1.4
126.22841	0.4
127.00361	2.8
129.01965	2.3
133.01460	0.9
136.60196	0.4
139.00421	0.5
141.01874	0.6
143.03470	0.5
156.06738	2.4
156.99026	0.4
157.01451	3.7
158.08252	37.5
169.01445	1.0
169.11978	0.4
174.01724	16.4
175.02380	1.6
179.05653	2.2
240.82576	0.4
262.05777	0.8
266.49954	0.4
277.05658	18.2
278.05988	1.4
337.07773	100.0
338.08099	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81517	0.4
52.08952	0.3
55.01854	0.6
57.03441	1.0
59.01091	0.5
59.01378	7.4
61.98819	0.4
68.99509	0.6
68.99866	1.7
69.03460	0.8
69.46761	0.9
69.47166	2.9
71.01387	6.5
72.99306	0.8
73.02943	1.7
75.00886	2.2
81.03441	0.3
83.01397	1.5
85.02960	6.6
87.00879	3.1
87.04520	1.9
89.02468	2.0
95.01373	1.1
96.99294	0.4
97.02946	0.9
99.00895	4.5
101.02464	3.1
111.00877	2.9
112.98634	1.3
113.02450	5.4
113.99609	13.7
115.00397	12.5
119.03542	0.6
123.30527	0.3
125.02478	0.7
127.00383	3.1
129.01950	2.2
130.08755	0.8
131.03496	0.6
139.00388	1.3
141.01952	1.1
142.99879	0.8
143.03488	0.5
157.01436	3.8
158.08220	3.6
161.04659	0.8
163.06136	0.7
169.01447	1.6
173.00961	0.5
174.01714	23.2
175.02493	6.7
179.05608	0.9
277.05652	14.0
278.06027	1.1
337.07764	100.0
338.08133	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	336.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03439	2.2
59.01381	29.1
59.33074	0.8
62.54224	0.7
66.22788	0.8
66.84511	0.7
67.23455	0.7
69.85574	5.3
71.01385	11.4
72.99324	1.3
73.02968	2.1
75.00901	2.7
78.12014	0.6
83.01398	3.1
85.02953	7.1
87.00896	2.1
87.04538	2.7
88.80428	0.7
89.02451	6.0
92.91322	0.8
93.33114	0.6
97.02932	0.8
99.00888	6.6
99.99728	0.8
101.02449	4.9
111.00915	3.4
111.02029	1.6
112.98816	10.7
113.02448	6.4
113.99610	1.7
115.00383	5.8
115.04041	3.1
119.03584	1.8
127.00430	0.8
127.56896	0.7
128.07202	1.8
129.01942	5.7
130.08755	100.0
131.09088	3.1
142.99896	2.5
145.01457	1.7
150.86913	0.9
157.01414	1.5
161.04565	2.8
173.00883	5.0
174.01712	5.5
175.02541	5.9
179.05620	1.8
205.03555	1.5
276.11005	1.0
277.05634	2.7
277.09268	3.2
336.13474	2.3
336.17041	1.1
337.07755	28.0
337.11066	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	336.94
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.98829	1.4
69.20790	0.3
70.07635	0.3
71.70984	0.4
79.95729	0.3
80.96525	0.3
86.61243	0.3
96.55890	0.3
96.96012	0.4
102.47926	0.3
115.10303	0.3
119.93745	0.8
134.96101	7.0
135.91490	0.4
135.96222	0.5
136.94031	86.5
137.94092	6.5
151.92743	4.6
152.91783	30.8
153.00455	0.4
154.95117	0.6
157.57530	0.3
167.90489	3.8
170.92827	0.9
178.95082	100.0
179.95183	9.2
186.09439	0.3
192.95833	0.7
194.92830	49.1
194.95689	1.6
195.93146	1.2
196.96130	1.1
199.41118	0.3
202.47316	0.3
210.90829	2.2
212.93881	5.8
250.93837	0.8
252.91850	5.0
253.91847	0.4
256.87695	0.6
274.88651	2.4
287.84821	0.4
292.94995	3.2
294.92905	21.3
295.92950	2.0
300.17261	0.3
316.84225	0.3
336.93985	83.5
337.94171	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	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	3.4
69.56964	2.1
71.01371	0.3
72.99317	3.6
83.01397	2.7
85.02962	16.1
86.03277	0.4
98.83777	0.3
98.91800	0.3
99.00893	1.3
101.02440	1.8
111.00901	100.0
112.01230	3.2
114.94113	0.2
119.05070	0.9
129.01965	3.6
150.21284	0.3
154.99892	13.8
156.00255	0.5
163.04068	0.3
173.00934	29.3
174.01273	1.5
191.01985	1.1
282.19952	0.3
297.59012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02579	0.3
59.01380	1.2
67.01893	2.2
70.52864	0.7
70.53268	0.8
71.01386	0.6
72.99318	3.6
73.02951	0.8
83.01389	2.4
85.02959	15.3
89.02454	0.4
99.00891	0.8
101.02461	2.2
103.03944	0.3
111.00896	100.0
112.01218	3.1
113.02464	0.3
117.01953	1.0
119.05035	1.0
129.01956	4.4
154.99884	14.9
156.00217	0.5
173.00928	35.6
174.01288	1.5
191.01991	8.2
192.02327	0.4
337.14856	1.5
355.51459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37376	0.6
57.40685	0.5
59.01386	5.5
61.98827	1.3
64.84929	0.7
69.52029	4.1
69.52458	2.4
71.01379	0.8
72.99310	17.5
73.99566	0.7
85.02970	1.1
87.00887	0.9
97.06620	1.9
98.20621	1.3
109.02975	1.5
113.53671	0.6
114.43702	0.6
121.02948	1.7
123.04549	0.8
133.02943	1.1
134.03748	2.6
135.04510	1.0
137.02434	2.3
142.06653	0.9
142.96378	0.6
146.03725	5.3
158.03743	1.9
159.04541	9.3
159.08148	1.4
160.05193	1.0
161.06046	0.7
172.05312	17.2
173.06090	18.3
174.06851	8.8
175.07661	9.8
176.04808	2.4
178.02713	4.0
183.04538	1.8
184.05327	1.4
185.05978	0.8
185.09695	1.4
187.04117	7.3
187.07663	100.0
188.04706	1.0
188.08046	6.7
190.06313	1.8
191.03598	1.1
197.06136	1.9
198.06766	1.2
200.04814	1.7
201.05574	9.6
202.06366	25.0
202.09924	3.9
203.06903	2.0
203.10785	7.0
204.04286	2.5
205.04956	0.7
205.08670	1.3
211.07611	0.9
213.09225	16.9
213.11079	0.6
214.09558	1.9
215.07112	2.8
215.13498	0.6
216.07870	2.5
218.05872	0.9
219.10260	5.3
229.08713	1.3
231.10262	59.2
232.10579	4.3
246.05374	1.6
275.09232	13.9
275.12231	0.7
276.09549	1.7
293.10312	14.3
294.10687	1.8
317.33246	0.7
323.40219	0.6
335.17300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08106	0.8
59.01380	14.8
61.98842	2.2
69.57229	8.1
72.99312	13.0
76.47821	0.9
93.03480	2.0
95.05001	1.4
97.06615	2.4
105.03464	2.5
106.04276	2.5
109.02961	1.5
111.00916	1.4
111.04514	1.6
121.02948	6.0
122.03711	1.5
122.73623	0.9
122.74664	0.8
123.04512	3.0
133.02977	50.6
134.03770	61.3
135.04506	1.9
136.01680	1.0
137.02473	37.3
139.04027	13.7
147.04483	1.8
149.02441	2.7
150.03224	5.3
151.04033	6.0
152.89658	0.9
159.04524	2.1
161.02449	1.2
165.05508	2.2
173.06110	5.1
177.01968	14.8
178.02733	100.0
179.03076	7.4
180.04222	1.1
187.07603	3.4
193.05107	2.3
195.14064	0.9
196.03769	2.9
203.10832	2.2
213.09242	5.9
216.08093	0.9
231.10262	8.4
265.04788	1.0
273.08932	1.0
275.09271	9.8
282.45541	0.9
293.10352	3.3
309.34308	1.0
335.11346	1.1
335.14957	2.9
335.18689	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	333.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28384	3.9
59.01380	49.5
59.15993	4.3
61.98846	7.6
67.54077	3.8
71.01388	42.9
71.71120	4.5
72.99325	9.7
81.03457	4.6
83.01412	5.1
84.00917	6.9
85.02962	17.2
87.00909	7.9
88.98807	8.6
89.02452	41.7
95.01386	6.6
95.05037	5.1
98.20415	4.9
99.00893	11.7
101.02460	20.1
109.02946	8.2
110.02446	5.5
111.00914	4.9
112.04054	13.6
112.98812	11.8
113.02486	12.8
119.03519	9.7
125.02515	10.7
127.04018	5.9
127.05125	9.9
128.03542	13.5
128.07195	97.0
129.01976	5.8
131.03540	5.2
133.05125	14.9
135.06645	12.9
136.04089	7.9
142.99878	9.4
143.03558	7.8
145.06235	7.5
149.04738	4.7
154.05089	5.2
155.03510	6.9
156.17606	4.6
159.03018	8.8
160.06038	4.8
164.62137	4.9
171.03160	6.2
173.00955	9.8
174.99362	5.8
179.05603	10.9
243.06171	9.9
248.31866	4.2
297.11902	81.3
298.12457	6.2
314.93594	5.0
328.27603	5.1
333.09818	100.0
334.10263	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09766	5.9
57.61472	7.1
58.72843	7.3
59.01377	20.4
62.16900	8.1
69.58999	64.3
69.59356	9.0
71.01390	14.4
85.02992	10.8
89.02464	13.6
96.39996	6.5
98.19871	13.4
101.02456	11.2
111.00929	6.9
113.02501	11.5
119.03516	10.0
148.86703	8.1
150.56471	6.3
153.01831	7.9
159.03033	7.4
159.08592	10.4
179.05626	9.2
188.21490	8.0
297.11893	95.2
333.09872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05630	0.2
51.26311	0.2
56.61819	0.2
58.99603	12.5
59.01379	3.4
61.42714	0.2
61.98827	0.6
67.54881	0.2
70.89874	0.7
74.99098	2.2
102.98613	100.0
103.98986	1.7
113.09788	0.3
120.99673	8.1
139.11310	2.5
159.47682	0.3
163.00708	5.5
203.11116	0.4
333.13666	0.6
333.17181	0.3
348.73169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86613	0.4
52.33103	0.4
59.01374	0.7
61.98837	1.5
69.70311	1.0
69.70716	1.9
71.01400	0.7
73.02966	2.2
77.27908	0.4
81.03483	0.6
83.05030	1.9
85.02934	0.4
93.03469	13.1
99.00944	0.5
99.04564	0.5
101.02516	0.5
107.05042	1.1
109.03021	0.5
111.04533	4.3
117.03481	0.4
132.02135	0.5
133.02975	8.5
134.03783	4.4
135.04547	100.0
136.04895	4.9
137.02461	6.0
143.03563	0.5
148.54390	0.3
155.03549	2.2
156.75763	0.4
161.02467	23.5
162.02834	1.3
165.74489	0.3
173.04620	1.9
179.03519	89.9
180.03847	5.7
187.07823	0.5
201.79677	0.4
204.15779	0.4
291.09094	0.5
335.07736	31.5
336.08047	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	335.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72107	0.3
54.06984	0.3
54.52433	0.3
59.01375	1.0
61.98835	2.1
65.03959	0.3
69.52350	2.8
70.94118	0.3
71.01382	0.3
72.99321	0.8
73.02955	1.2
74.02502	0.3
81.03479	0.5
81.39033	0.3
83.05045	1.8
85.02925	0.4
91.05534	0.3
93.03477	10.7
94.03809	0.6
99.00924	0.5
102.33697	0.3
107.05054	1.5
107.24148	0.3
108.51433	0.3
109.02975	0.7
111.04534	3.8
113.96478	0.3
117.03449	0.4
123.04549	0.3
123.46579	0.3
132.02231	0.4
133.02031	0.5
133.02983	7.4
134.03777	4.1
135.04544	100.0
136.04881	5.2
137.02452	4.6
138.02829	0.4
141.68382	0.3
143.03532	0.3
155.03523	1.1
159.04555	0.5
161.02461	22.3
162.02797	1.2
167.69682	0.3
173.04587	1.3
173.06033	0.8
174.06931	0.4
175.07565	0.3
179.03517	81.4
180.03886	4.2
187.04002	0.4
187.07661	4.4
201.05435	0.5
202.06398	1.0
203.10768	0.7
213.09238	0.7
227.36266	0.3
231.10287	3.6
275.09299	0.8
291.08807	0.3
293.10287	0.6
335.07742	30.0
336.08060	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	331.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01424	0.5
67.05527	0.7
69.03466	2.0
71.05051	1.0
72.99334	2.1
74.11549	0.5
81.14123	0.5
90.56313	0.5
96.54124	0.6
115.94865	0.5
119.05039	3.0
121.06617	22.3
122.06962	0.8
139.07678	95.9
140.08026	4.4
142.44406	0.6
147.04552	38.1
148.04877	1.9
161.67142	0.6
165.05592	21.3
166.05933	0.6
183.06645	100.0
184.07005	5.5
204.14352	0.5
207.57660	0.6
287.12878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41215	0.5
56.89394	0.5
57.03462	0.5
59.01385	0.5
67.05540	0.6
69.03485	1.3
71.05044	1.2
72.99313	2.3
93.07109	1.1
98.20650	1.1
104.58291	0.5
119.05034	3.1
121.06618	22.5
122.06952	1.1
139.07677	100.0
140.08023	4.2
147.04550	40.7
148.04880	1.8
160.47067	0.8
164.07169	1.4
165.05588	16.9
166.05884	1.3
183.06644	96.0
184.06964	5.4
202.08768	0.7
214.51045	0.5
220.53117	0.6
239.08209	0.7
239.19031	0.5
244.13452	1.1
254.10725	0.7
288.12531	3.5
313.11963	2.5
324.08228	0.6
324.59320	0.6
331.12799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83728	1.2
57.79409	1.2
59.01379	7.8
68.42353	1.4
71.01389	6.2
71.72413	2.0
72.99317	14.9
75.00874	1.6
85.02989	2.0
87.00935	1.7
101.02455	4.6
106.27233	1.4
113.02445	2.5
119.05058	11.7
132.93987	1.6
142.06648	6.2
144.08224	7.6
147.04550	51.2
148.04881	3.8
154.06599	1.4
156.08173	1.4
161.04581	3.2
165.05598	100.0
166.05910	5.2
172.07697	3.0
182.06131	6.8
197.21219	1.3
198.05568	4.2
200.07167	12.5
210.05653	4.1
228.06758	7.6
272.05637	3.1
278.76132	1.6
302.11395	1.5
316.68277	1.5
331.13031	1.9
331.17648	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	331.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.3
61.98838	2.6
69.03461	1.8
71.04993	1.4
71.70965	1.7
72.99303	2.8
79.27796	1.5
93.07130	1.8
119.05039	3.8
121.06615	47.3
122.06995	2.1
126.49925	1.3
139.07681	100.0
140.08005	5.7
147.04550	41.2
147.05429	0.8
148.04855	2.2
165.05588	27.2
183.06648	89.5
184.07018	5.0
245.11818	2.7
292.02292	1.4
331.15433	3.3
331.24881	1.8
346.75046	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	331.1036
Annotation	Koaburaside
Peak:m/z	Relative Intensity
58.68592	0.2
59.01369	0.5
60.97542	0.3
61.98833	0.6
64.82337	0.3
69.03471	0.2
69.75157	0.8
69.75583	1.2
71.01380	0.5
72.97527	2.2
77.42020	0.3
81.03461	0.5
93.03467	0.5
107.01425	0.2
109.02969	1.2
111.04531	0.3
113.02486	0.3
121.02952	0.4
122.78780	0.3
124.01658	1.4
125.02446	2.0
133.96834	0.9
134.97577	0.7
137.02452	0.8
138.03241	2.1
139.04030	65.0
140.04359	3.0
149.99605	0.6
151.00365	0.9
153.01930	1.3
167.03522	0.3
168.00641	2.0
168.04309	2.1
169.05077	100.0
170.05443	4.2
245.03423	0.8
259.90070	0.3
313.05450	0.3
331.06747	3.0
331.10312	28.4
332.07092	0.4
332.10651	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	331.1036
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.78115	0.2
57.03431	0.4
59.01382	1.3
71.00169	0.7
71.01389	1.3
73.02934	0.3
75.00879	0.4
78.84201	0.2
82.00629	0.4
83.01369	0.5
85.02960	2.3
85.96352	0.3
87.00867	0.4
89.02435	0.4
95.01360	0.3
96.63995	0.3
101.02468	0.9
109.02970	0.3
110.00109	6.1
111.00246	0.3
113.02482	3.0
123.00937	0.5
124.01678	0.9
125.02464	6.6
126.02834	0.5
131.03525	0.5
136.01651	0.4
137.02504	0.7
137.99608	7.9
139.00406	2.2
140.01134	0.7
149.02350	0.4
151.00377	1.0
152.01175	3.3
153.01952	100.0
154.02449	4.7
155.03523	2.4
161.04567	1.6
166.02763	0.9
167.03508	12.0
168.04294	52.3
169.01476	1.9
169.05067	10.2
170.05356	0.3
179.03477	0.8
181.01440	0.5
181.05093	0.5
191.03557	1.3
194.02280	0.5
196.03780	0.4
209.04579	1.4
211.06107	0.8
221.04488	0.3
239.05659	0.6
299.07648	0.5
331.06796	0.5
331.10303	5.7
331.14218	0.4
332.10699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01380	0.8
60.28053	0.3
61.98846	0.4
66.91556	0.3
69.03459	2.0
70.89664	0.6
70.89996	0.7
81.03465	1.0
83.01398	1.3
89.02441	0.4
95.01406	0.6
97.02972	2.3
101.02462	0.5
107.01405	1.1
107.15705	0.4
123.00893	3.2
124.01682	13.1
125.02467	56.8
126.02772	2.3
137.02509	0.5
137.99655	0.6
139.04044	1.4
149.99602	23.9
151.00412	2.3
153.01971	3.5
167.03519	1.2
168.00659	54.9
168.04330	2.1
169.01425	8.5
169.05089	2.6
211.06107	0.5
287.07516	0.5
313.05646	7.0
331.06708	100.0
332.07037	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	331.0459
Annotation	Elatol
Peak:m/z	Relative Intensity
50.79892	0.8
57.03450	1.9
59.01373	6.8
59.91651	0.9
65.00323	55.5
66.00658	1.5
67.55283	0.7
69.17018	0.8
71.00618	2.6
71.01382	5.7
73.02950	0.9
75.01857	0.8
81.03516	0.7
83.01382	7.4
85.02955	1.9
89.00358	1.2
89.02451	3.2
101.02451	4.0
107.01399	17.5
111.00896	1.7
111.85135	0.8
113.02490	1.2
119.03508	2.4
124.01676	2.0
125.02431	6.1
127.00361	1.0
131.05020	2.7
133.02960	3.8
135.00896	1.4
135.08759	0.9
145.02910	1.3
149.99612	1.5
151.00383	80.6
152.00787	3.4
157.06628	2.1
159.04510	3.5
161.04617	2.0
164.98328	2.3
168.00589	2.1
169.01434	18.9
169.06546	1.2
173.06073	2.4
175.03973	2.0
176.98331	1.0
177.05531	4.6
178.99922	1.5
181.06543	2.0
183.04523	3.2
196.05319	1.2
197.05975	2.0
201.05650	7.1
203.03494	14.4
204.03818	1.5
223.99596	3.3
225.05540	6.4
227.03476	3.1
227.80008	0.9
241.05058	2.0
243.06406	1.3
245.04581	7.4
251.84079	0.9
269.04514	37.6
270.04883	3.6
285.03967	6.5
287.05753	1.5
303.05133	4.2
311.87698	0.9
313.03528	96.7
314.03906	9.8
316.30655	1.2
331.04578	100.0
331.17764	1.8
332.04962	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	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.90046	0.9
57.03443	4.5
59.01384	12.1
60.23061	1.0
61.98828	1.2
65.00325	4.1
71.01386	7.6
71.70573	1.1
71.70982	1.5
72.97546	1.6
73.02959	1.3
78.91919	1.9
81.03464	3.6
83.01398	13.8
85.02971	1.6
87.00891	4.9
89.02445	2.2
93.03458	1.0
94.02988	1.9
97.02963	2.4
99.00893	1.9
99.04586	1.6
101.02487	2.7
107.01409	7.0
108.02200	17.6
109.02959	3.2
109.25730	0.8
110.02506	1.4
113.02473	1.9
121.02921	1.0
122.02512	1.6
122.03732	1.3
122.06120	2.9
123.00890	1.8
123.06468	3.2
124.01681	3.8
124.98879	1.2
125.02467	58.7
126.02811	1.9
131.01358	0.9
132.98228	2.1
133.05093	32.4
136.01669	1.5
136.07713	1.5
137.02493	1.2
139.04036	25.3
149.02528	1.4
149.99593	1.8
150.05605	5.6
151.00392	55.0
151.04008	2.9
151.05975	6.5
152.00668	1.3
152.03568	1.3
153.01945	5.9
158.08257	2.0
158.99811	1.1
159.01625	1.0
160.97655	1.3
161.04604	5.5
167.03516	2.6
168.00630	8.0
168.04305	3.5
169.01445	33.3
169.05070	36.9
170.05334	1.7
172.09818	2.6
172.97716	7.5
174.99098	1.4
175.00439	7.0
186.12515	1.0
186.99274	1.4
187.02914	2.2
193.01437	6.3
198.04155	1.2
211.02496	1.8
215.02371	1.8
223.02412	1.1
240.96620	1.5
245.03278	7.7
270.97690	2.3
271.08365	3.0
289.02432	1.5
313.11279	5.5
326.37268	1.0
331.06732	100.0
331.10580	8.4
332.07037	10.5
332.10568	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	331.046
Annotation	Elatol
Peak:m/z	Relative Intensity
50.97249	0.7
51.52381	0.6
56.00381	0.7
56.36774	0.6
57.03473	1.4
59.01377	4.5
61.79739	0.7
63.02430	1.0
65.00328	54.2
66.00706	1.3
68.99833	0.8
69.43856	7.3
71.01393	5.0
72.99391	0.7
73.02983	0.8
83.01397	8.4
85.02985	1.7
89.00382	1.5
89.02461	1.6
91.01981	0.9
101.02502	1.9
107.01402	17.2
111.00949	1.2
111.04587	0.8
113.02492	1.7
123.04612	1.0
124.01733	2.5
125.02481	7.0
131.00148	0.8
131.05058	3.7
133.02959	4.1
135.00952	2.5
135.04672	0.8
143.04951	0.9
149.99690	2.0
151.00392	80.7
152.00658	3.5
155.05141	1.3
157.06662	1.5
159.04535	3.5
161.04648	1.0
164.98425	2.3
165.99098	1.4
168.00647	1.1
169.01447	18.3
169.02786	1.3
173.06200	2.1
175.04085	2.6
176.98351	1.3
177.05573	5.2
178.99928	1.1
181.06544	0.8
183.04591	2.6
197.06178	2.2
201.05626	8.1
203.03534	14.0
204.72678	0.9
204.97984	0.9
213.05774	0.9
215.06915	0.8
222.98853	1.2
223.99709	2.5
225.05577	6.6
227.03630	2.1
236.08023	1.4
241.05121	3.1
243.06912	0.8
245.04539	7.4
246.04959	0.9
259.02637	0.7
259.06113	2.0
269.04544	36.5
270.04907	3.6
285.03983	8.0
287.05667	3.0
295.02481	0.8
303.05096	3.6
313.03537	100.0
314.03867	10.8
317.24271	0.7
331.04581	96.4
332.04956	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03369	2.7
59.01300	31.9
59.01789	1.3
61.98761	0.5
62.38320	0.4
65.91737	0.4
69.42139	0.4
69.42455	4.1
71.98945	0.4
72.99205	0.4
161.04527	0.4
171.10156	0.5
186.09668	0.4
211.20688	3.5
215.56317	0.4
223.20642	5.4
224.21024	0.4
225.06566	0.5
239.20171	6.1
240.20477	0.7
241.21724	15.5
242.22044	1.0
269.21204	20.0
270.21686	1.9
285.02924	0.8
287.22272	100.0
288.22617	9.1
315.87143	0.4
329.09357	3.2
329.12753	0.5
329.23373	13.5
330.23785	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	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.26324	0.8
55.01877	1.0
59.01384	19.3
61.98833	9.7
64.06223	0.8
64.71830	0.7
68.99824	1.3
70.02923	0.8
70.72229	1.5
70.72636	2.0
71.01393	10.3
72.99313	2.6
73.02949	2.2
83.01375	2.1
85.02975	4.2
86.00108	3.0
87.00888	21.9
89.02454	4.4
94.03004	1.0
95.01403	1.3
98.19971	1.0
99.00891	2.7
99.50469	0.9
101.02483	4.3
107.03802	1.2
108.02195	1.9
108.04591	1.2
109.02460	1.2
111.00881	1.8
113.02487	4.4
115.00404	1.1
119.03539	0.9
121.03020	0.8
121.05367	1.9
122.06142	41.7
123.04502	3.0
123.06468	2.0
124.04083	1.5
125.02486	3.1
131.03716	1.2
132.98239	1.8
133.05089	12.6
134.06177	3.7
135.03337	1.1
136.04083	1.4
136.07710	15.5
136.08742	1.0
138.05624	1.8
140.03560	1.1
146.06169	1.8
148.07622	1.0
149.04854	1.5
150.05635	100.0
151.00385	1.9
151.04045	7.2
151.05902	4.8
152.07208	9.9
152.18062	0.8
153.01773	1.0
159.03108	1.2
161.04636	2.3
162.05641	4.0
164.07172	3.8
167.03545	1.7
168.04080	0.9
168.06677	2.1
169.01456	1.5
169.05095	3.3
174.05637	1.8
174.99231	3.5
175.06357	2.6
176.07198	9.0
179.05684	1.1
192.06689	2.0
194.08223	3.7
198.99289	1.1
204.06743	2.6
222.07730	3.8
240.96570	1.4
245.03372	1.8
252.08838	1.0
270.02518	1.3
270.09787	1.1
270.97641	1.5
280.27682	0.8
300.10626	0.8
312.10901	56.1
313.11349	5.1
330.05002	4.8
330.11972	38.5
331.06696	5.5
331.12119	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.23202	0.2
57.03452	0.9
57.96769	0.3
59.01381	2.5
60.07693	0.2
65.00316	0.8
71.01382	0.6
71.71528	0.4
79.95754	0.5
80.96542	0.3
81.03465	4.1
83.01396	2.4
85.02972	0.3
87.00900	0.3
88.04033	0.2
89.02505	0.3
93.03447	0.3
95.05066	0.8
97.03036	0.3
104.03639	0.2
107.01419	0.6
107.69514	0.3
108.02196	0.3
109.03027	0.2
119.05039	0.3
121.02986	0.4
123.04549	28.1
124.04898	1.5
125.02483	5.7
127.05167	0.4
137.02463	0.5
139.04068	0.6
147.04625	0.3
149.02470	0.9
151.00400	1.8
153.06702	0.5
163.04034	0.7
164.98593	0.3
166.02783	1.1
167.03526	100.0
168.03848	4.6
180.37294	0.2
182.99712	0.8
191.03502	0.5
197.05861	0.6
207.08202	0.6
209.04666	1.2
212.08485	0.4
225.09258	1.3
244.07231	0.3
267.85080	0.2
286.10968	1.0
329.08780	2.0
329.12283	0.6
330.10312	1.1
353.17633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47055	0.6
52.88799	0.5
56.88425	0.6
59.01379	100.0
60.01703	1.3
65.24446	0.6
69.66003	0.7
69.66408	4.4
71.01391	3.6
73.02954	1.8
79.87404	0.7
85.02968	2.2
87.00883	0.8
99.00890	0.8
101.02457	3.9
113.02456	1.9
125.85237	0.6
129.50804	0.6
152.01189	0.9
161.04633	3.9
167.03545	3.6
242.19337	0.6
244.99661	0.6
269.10263	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	329.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	0.9
62.48661	0.4
70.47911	0.6
70.48297	0.7
103.33695	0.4
123.04510	0.6
145.17267	0.3
154.65648	0.4
155.46666	0.5
165.12889	0.5
167.03491	1.1
167.37369	0.4
171.73662	0.4
183.52838	0.4
185.51743	0.4
207.13892	1.5
209.11801	2.2
225.14966	82.8
226.15282	6.3
227.12856	0.4
250.50026	0.4
269.13904	13.3
270.14221	1.0
287.14899	1.2
287.18320	0.5
329.16125	7.0
330.16422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.37063	0.9
51.35007	1.0
55.01872	3.2
57.03450	2.5
59.01385	15.6
61.98830	3.7
68.99819	2.0
71.00112	2.9
71.01388	68.2
72.01740	1.0
72.99321	1.6
73.02954	16.7
75.00893	1.7
81.03477	1.3
82.07958	0.9
83.01412	5.9
85.02969	28.1
87.00894	5.0
89.02447	5.2
93.03483	2.5
95.01401	6.8
95.05003	0.8
97.02982	1.9
99.00889	7.6
99.04533	3.7
101.02459	32.5
108.02189	11.0
109.02987	12.6
113.02471	25.7
121.02974	3.2
122.03763	54.6
122.06123	3.0
123.00890	1.8
123.04549	100.0
124.01702	1.5
124.04920	4.5
124.05632	0.9
125.02483	3.1
129.01979	1.0
136.07681	1.6
137.02470	10.6
139.04015	1.9
143.03500	3.9
149.02477	1.1
150.05647	6.4
152.01167	4.1
153.01894	2.0
159.03003	6.4
161.04585	40.8
162.04887	1.6
165.05603	3.1
167.03526	30.7
168.03784	1.1
169.05136	0.9
177.05650	1.5
209.04517	1.6
228.96709	2.1
285.09760	2.1
293.12463	1.3
312.10849	2.7
329.05032	1.3
329.08734	14.3
330.08664	1.4
330.12112	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.62233	0.3
53.86480	0.3
59.01375	0.8
59.66220	0.3
64.86387	0.3
67.01025	0.3
71.01379	0.8
71.37057	0.4
71.37395	0.3
73.02923	0.3
78.61034	0.3
81.03482	0.4
85.02984	0.4
101.02427	0.3
107.01447	0.4
108.02192	51.9
109.02515	1.7
123.00955	0.3
123.04544	20.8
124.04896	0.9
135.12798	0.3
152.01178	37.4
152.45485	0.3
153.01488	1.6
165.55840	0.3
167.03519	100.0
168.03841	5.0
209.04703	0.4
210.44429	0.3
329.08804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03444	1.2
59.01378	6.3
61.98829	0.5
66.72115	0.6
67.01890	0.5
68.99809	0.7
71.01381	2.3
72.99319	0.6
77.76276	0.6
79.95745	1.4
80.96541	0.6
81.03473	6.5
83.01399	5.2
85.02959	1.2
87.00860	0.5
89.02467	1.0
93.03477	2.3
95.01383	1.1
95.05038	12.1
97.02972	2.7
98.20640	0.6
99.04552	3.6
101.02468	1.5
107.05029	0.7
108.02206	1.0
109.02972	0.9
113.02432	0.9
115.61757	0.5
118.98119	1.3
119.05077	0.9
121.02220	0.5
121.03006	1.5
121.06574	0.5
122.03767	2.3
123.04547	18.4
124.04887	0.9
125.02470	15.4
128.03600	0.8
135.04546	2.2
136.99197	0.9
137.02470	4.2
137.05081	0.9
137.06102	12.5
139.04028	3.6
141.05589	1.5
147.04475	1.1
149.02505	1.5
149.06189	1.1
150.03220	0.8
151.00420	1.2
151.04005	0.8
152.01140	1.5
155.03569	1.4
164.98663	0.5
165.01930	1.1
165.05624	3.9
166.02722	0.7
166.06067	0.5
167.03522	50.4
167.07162	3.1
168.03891	2.7
170.42607	0.6
177.05594	0.5
178.09702	0.6
179.03500	7.5
181.05042	2.7
185.86555	0.4
191.03525	0.8
193.05081	2.5
197.04605	1.9
199.27615	0.5
206.02185	1.6
209.04567	100.0
210.04922	5.7
221.04584	2.8
239.05621	23.2
240.05893	1.5
269.06729	0.6
291.14716	0.9
311.07788	1.1
329.08765	10.6
329.12637	3.0
330.09311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63793	0.4
57.03438	2.0
59.01383	36.8
61.98819	1.4
68.91731	0.5
71.01366	0.7
71.05047	2.6
71.71313	0.8
71.71695	0.5
83.05048	0.8
85.02946	1.9
95.85770	0.5
97.06606	0.5
102.84663	0.5
109.63987	0.5
163.14973	0.8
171.10263	4.5
181.16040	3.0
201.11064	0.6
209.19112	0.7
211.13403	2.4
215.13002	0.7
221.19125	1.7
223.20770	0.5
227.12883	2.1
229.14462	1.8
239.20189	3.4
267.10815	0.7
267.19653	19.3
268.11273	0.5
268.20032	1.7
285.20718	100.0
286.21069	11.3
291.19611	0.7
327.21783	26.0
328.22070	3.2
335.64944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	1.3
62.73108	0.7
65.93723	0.7
69.82729	5.4
75.00887	2.1
146.21463	0.8
146.28391	0.7
185.00775	0.9
227.74358	0.7
252.21951	0.9
327.08832	2.0
327.18240	2.5
327.29047	86.1
328.29370	10.3
346.10519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
57.03447	0.5
59.01382	3.8
65.00300	0.3
67.01880	0.2
69.03442	0.3
71.01389	0.9
71.71712	0.3
81.03465	4.1
83.01392	2.5
85.02974	0.4
87.00854	0.2
93.03478	0.4
95.01414	0.3
95.05036	1.1
97.03003	0.7
107.01428	0.5
109.02949	0.3
114.99041	0.2
121.02975	0.5
123.04539	37.0
124.04887	1.7
125.02467	4.2
130.08781	0.4
131.01492	0.3
135.00810	0.2
135.04529	0.7
137.02448	1.2
139.04041	0.6
142.06624	0.4
147.30594	0.2
149.02498	1.1
151.00417	1.2
151.04016	1.4
163.04037	1.1
165.01930	0.3
165.05554	0.4
166.02740	0.6
167.03513	100.0
168.03859	3.7
175.00380	1.1
179.03510	1.3
180.04268	0.5
181.05110	3.2
191.03511	25.5
192.03824	1.5
193.04965	0.3
205.05130	0.2
209.04561	8.9
209.06554	0.5
210.04868	0.5
221.04572	2.6
233.04608	0.3
239.05504	0.3
269.06674	0.6
269.59460	0.3
328.22275	0.3
329.08774	6.1
329.22980	0.3
330.09177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
58.00601	0.7
59.01382	19.3
61.98853	0.5
70.11864	1.9
71.01387	9.8
72.99347	1.4
73.02960	0.8
75.00912	1.2
78.24147	0.4
83.01414	0.8
85.02962	3.3
87.00921	1.5
89.02456	9.6
93.03475	3.2
95.01448	1.0
98.20007	0.6
99.00912	0.6
101.02459	6.6
101.28469	0.4
105.01923	0.5
111.00946	0.5
113.02454	3.4
114.05653	0.5
117.01918	0.5
119.03543	3.8
119.05032	4.2
120.05421	0.9
121.02956	0.7
121.06620	1.6
125.02527	0.8
129.01982	0.5
129.03488	4.6
129.28989	0.4
130.04259	1.0
131.03514	0.8
131.77318	0.4
135.04504	2.9
137.02484	1.2
143.03532	0.6
145.02911	0.7
146.03743	0.5
147.04544	100.0
148.04904	4.8
149.02440	0.5
150.75208	0.4
150.91907	0.5
160.14081	0.5
163.04031	1.0
164.04628	0.4
165.04137	6.7
165.05582	66.2
166.05971	3.6
179.03545	0.9
179.05673	1.2
209.04655	0.6
291.14398	1.0
321.12531	0.5
327.04904	0.6
327.10941	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03453	3.0
59.01385	0.8
62.96688	0.5
69.03469	2.8
71.01392	0.8
71.02119	0.4
83.05029	0.6
84.02182	0.5
84.93433	0.5
84.93953	0.5
85.02958	9.1
87.75091	0.5
87.98855	0.4
95.05018	0.4
96.53265	0.5
97.02946	1.1
97.06598	4.3
125.09736	1.5
127.11271	1.1
128.22356	0.4
137.09721	2.3
143.37651	0.4
147.87454	0.5
155.10777	0.5
165.12866	1.2
167.14500	0.7
171.10292	23.0
172.10652	1.4
177.12868	1.3
183.13951	3.4
185.11841	1.5
193.12347	1.5
201.11420	1.0
203.10867	0.6
204.09073	0.5
209.11784	1.2
211.13411	17.4
212.13736	1.7
221.11827	3.3
229.14444	10.3
229.92477	0.6
239.12859	1.5
289.17874	0.5
291.19589	2.3
309.20731	0.8
327.21762	100.0
328.22119	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	326.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42396	0.3
55.30688	0.3
59.01380	15.5
60.01715	1.7
61.98832	6.4
69.05164	0.3
71.01382	1.7
71.70016	0.3
71.70412	0.6
72.99300	0.4
75.00877	2.2
85.02985	0.6
87.00870	0.7
89.02465	0.4
99.00900	0.3
101.02454	0.8
107.03656	2.1
113.02457	0.5
115.81490	0.4
119.05035	4.3
120.05383	4.9
121.03017	0.6
134.04747	100.0
135.05180	2.4
137.02425	0.7
144.04666	0.3
146.02492	5.9
147.02905	0.4
147.06679	0.4
149.02467	3.1
150.03229	2.6
162.05666	1.6
163.04019	3.2
164.04393	4.7
165.04280	0.7
165.05583	4.9
167.03522	0.3
177.03421	1.1
193.01518	0.3
213.91742	0.4
266.08917	2.8
266.13257	0.9
327.04575	0.3
327.08734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98809	0.5
65.97368	0.3
69.11471	0.3
69.46718	3.1
69.47129	0.7
103.03376	0.3
104.05444	0.4
116.05080	1.0
134.04742	0.8
139.07677	6.2
142.06641	100.0
143.06981	5.7
158.06149	0.6
186.05621	35.3
187.05981	3.1
249.15137	0.4
267.10889	0.6
285.20737	1.1
327.08817	0.6
327.21967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.6
61.98831	1.8
70.53096	0.9
70.53493	0.9
71.01392	5.1
72.99358	0.6
73.02965	2.3
83.01406	1.1
85.02948	2.4
86.28638	0.4
87.00909	0.4
89.02437	2.0
99.00922	1.1
101.02467	5.4
103.07634	0.4
103.36053	0.3
110.25240	0.5
113.02483	2.7
118.63034	0.4
119.03658	0.6
119.05046	16.6
120.05363	0.7
143.03531	0.6
145.29163	0.4
159.03056	1.0
161.04561	5.3
163.04021	14.5
164.04451	0.5
164.07208	0.8
199.98335	0.4
265.12921	16.0
266.13351	1.3
325.14288	1.0
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	Albocycline M-6
Peak:m/z	Relative Intensity
55.01878	1.8
57.03448	9.8
57.80201	1.3
59.01386	11.8
61.98837	22.9
65.03952	2.6
67.01897	2.0
69.03452	4.0
69.36913	3.4
69.37337	9.2
71.01391	2.0
71.05035	6.7
79.05566	2.6
80.02688	1.4
81.03463	4.3
83.01376	1.9
83.05040	9.9
84.02167	3.4
85.02966	2.7
85.06607	2.7
93.03454	1.6
95.05043	12.8
97.02962	4.8
97.06615	16.1
106.04268	3.0
109.06626	4.2
110.03746	1.9
111.04577	2.4
113.06103	4.7
115.07673	3.9
119.08662	1.5
121.06641	3.6
123.08173	7.5
124.05322	1.9
125.06144	2.2
125.09771	8.2
127.07674	2.3
135.08186	5.8
137.09657	2.5
141.09181	1.2
141.12839	1.4
149.09764	1.4
151.11339	2.1
153.09222	3.8
163.11313	7.7
165.12863	4.1
171.10307	32.0
172.10748	1.9
175.11197	1.4
177.12822	1.8
181.12329	2.9
183.10475	1.2
185.11870	7.4
191.10753	1.2
191.14458	4.2
193.12291	10.4
195.22267	1.1
197.11833	2.8
205.16000	4.9
207.10257	4.1
209.11847	38.4
210.12201	3.5
211.13374	11.5
217.12337	2.5
219.13934	2.5
221.11778	1.8
221.15388	1.9
223.13490	2.1
225.11288	3.9
227.12907	6.6
231.13960	3.2
237.14967	3.4
245.19121	9.6
249.14944	21.9
250.15469	1.9
267.16046	7.9
271.17126	1.9
289.18085	14.4
290.18408	1.7
307.19174	17.2
308.19656	1.5
325.20221	100.0
326.20529	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.0
58.00599	1.8
59.01377	19.3
60.17187	1.1
61.98825	1.9
62.40647	1.1
68.06570	1.3
69.03460	4.0
71.01377	6.3
71.05023	8.6
71.71152	2.1
73.02936	2.8
80.02701	2.9
81.03474	2.0
83.05035	4.2
84.02168	1.7
85.02942	1.9
85.06598	4.2
87.04533	2.2
93.03432	1.4
94.04886	1.5
95.05045	2.8
97.02969	5.9
97.06605	3.6
103.47366	1.5
107.05043	2.9
109.06604	30.5
113.06074	1.5
115.07674	1.5
115.62794	1.3
123.08149	2.1
125.06112	5.3
127.07677	3.4
134.04768	1.5
142.35147	1.2
143.33505	1.5
151.11296	1.5
153.12865	1.5
165.12926	2.2
167.10909	1.5
169.12425	6.6
181.12383	7.1
183.10286	2.3
183.13902	3.6
193.12306	3.0
197.11845	65.0
198.12228	3.8
199.13329	6.2
209.11876	1.9
211.13403	35.3
212.13686	2.5
213.11346	3.0
219.13905	1.9
220.41022	1.5
221.15439	1.5
227.12906	3.8
231.13893	1.6
235.13347	5.3
237.14957	5.2
245.19116	1.6
249.15041	4.3
265.13046	1.8
289.18176	4.0
307.19162	4.8
325.07300	1.9
325.20224	100.0
326.20624	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59264	0.5
57.03465	0.5
58.00595	1.2
59.01382	100.0
60.01729	1.2
70.24859	2.0
71.01387	16.2
72.99314	1.1
73.02965	0.6
85.02973	3.0
87.00884	1.0
89.02458	23.3
90.02765	0.6
95.01409	1.7
101.02464	12.7
107.48547	0.5
113.02479	6.8
114.02869	0.5
119.03523	11.1
119.04320	0.9
125.06158	0.7
131.03523	0.9
143.03510	2.6
143.07176	3.7
161.04628	2.6
168.09470	0.4
179.05609	5.8
188.58922	0.6
208.71712	0.4
263.11273	0.8
284.66980	0.5
323.13483	61.1
324.13760	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	325.093
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.68369	0.3
51.86093	0.4
53.52579	0.3
57.16871	0.3
59.01370	1.4
69.68302	0.4
71.01388	0.9
71.53865	0.9
73.89651	0.4
76.49679	0.4
77.73972	0.4
78.46535	0.4
88.59528	0.3
89.02460	0.6
93.03429	0.5
99.02866	0.4
114.62600	0.4
117.03479	5.3
119.05042	100.0
120.05372	4.5
145.02974	24.3
146.03314	1.8
163.04024	86.2
164.04332	4.1
187.04030	1.1
190.66922	0.3
191.53201	0.4
192.14226	0.3
205.05098	0.9
230.77275	0.4
265.07211	0.5
325.09308	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.2
59.01383	4.9
61.76946	0.2
65.65517	0.2
70.74171	0.7
71.01389	3.2
72.99304	0.6
83.01324	0.2
85.02950	0.8
87.00905	0.3
89.02458	1.9
91.84167	0.2
101.02442	1.1
109.05207	0.2
109.88176	0.2
113.02466	1.1
117.03486	19.3
118.03825	0.9
119.03534	0.6
119.05037	5.4
133.02953	0.3
133.06566	0.4
145.02974	100.0
146.02229	0.5
146.03316	5.7
159.04536	0.5
161.04903	0.2
161.06090	1.3
163.04025	8.5
164.04358	0.5
177.01888	0.4
177.05696	0.3
187.04034	3.7
205.01622	0.2
205.05095	1.7
235.06155	0.6
250.04184	0.2
264.13132	0.2
265.07169	1.9
268.23691	0.2
325.09332	6.8
326.09735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
58.00591	0.2
59.01379	5.8
60.01691	0.2
67.29963	0.2
69.66308	0.8
69.66740	0.9
71.01385	2.9
85.02954	0.7
89.02438	2.1
90.70965	0.2
92.93135	0.2
95.01412	0.3
101.02459	1.0
113.02471	1.2
117.03482	18.5
118.03839	0.9
119.03544	0.7
119.05044	5.3
120.05421	0.4
133.06619	0.6
145.02972	100.0
146.03320	5.6
159.04512	0.6
161.06090	1.2
163.04027	9.4
164.04375	0.7
177.05629	0.2
187.04041	3.9
188.04375	0.3
189.05608	0.3
198.61180	0.2
205.05048	1.8
235.06050	0.7
263.09265	0.2
265.07175	2.2
273.29062	0.2
307.08035	0.2
325.09296	7.8
326.09497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02977	2.0
59.01375	1.6
61.98834	0.2
62.92250	0.2
71.71037	0.3
75.48595	0.2
80.05102	0.2
81.03465	0.4
82.62784	0.2
91.21461	0.2
95.05044	0.6
97.06609	0.6
97.60033	0.2
109.06622	0.5
124.72089	0.2
128.10838	7.6
129.11223	0.3
130.08757	100.0
131.09116	2.9
147.22745	0.2
161.04587	0.2
165.12881	0.7
165.35921	0.2
172.09843	0.3
189.57983	0.2
243.19754	0.2
322.20239	38.4
323.15176	0.3
323.16281	0.3
323.20599	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	323.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03442	4.6
57.79231	1.2
58.00594	1.4
59.01382	100.0
64.30218	1.4
67.98402	1.2
68.99815	5.2
69.84806	7.5
71.01387	35.6
72.99322	3.0
73.02955	40.0
75.00873	3.4
83.01401	2.6
85.02964	7.9
87.00889	4.3
89.02458	29.0
95.01408	2.8
96.99320	4.3
99.00903	12.5
99.04533	4.6
101.02443	15.1
111.00894	5.9
112.98831	13.1
113.02454	10.7
115.00382	3.3
117.01965	29.2
119.03519	10.0
129.01936	3.9
130.99866	2.0
131.03523	2.5
133.05040	1.6
142.99889	13.1
143.03552	7.2
143.07138	5.4
144.06657	2.1
145.01451	3.9
148.00374	2.8
149.04549	12.1
161.00861	3.4
161.04535	4.8
163.02696	2.8
173.00894	5.9
178.05104	3.5
179.05641	6.4
205.03558	1.6
264.05145	2.4
282.45624	1.5
323.09845	7.1
323.13446	70.5
324.07199	5.4
324.13794	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	320.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.7
61.98838	11.8
75.11342	0.5
119.97140	0.5
185.09674	1.2
186.28670	0.5
189.36424	0.6
190.12376	1.1
211.07668	0.7
214.06358	1.1
227.03586	2.6
229.08708	7.1
230.09094	0.6
239.07095	5.1
241.05070	2.6
242.05840	15.3
243.06166	1.4
257.08194	100.0
258.08505	10.2
320.15286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
59.50566	0.2
61.98830	0.6
69.46905	2.6
71.05028	0.6
85.02962	0.8
87.00901	0.9
90.47990	0.3
105.05870	0.5
119.07438	0.9
132.08250	0.6
134.09785	42.8
135.10147	1.7
137.04808	0.5
148.11397	0.6
160.07658	0.4
161.08493	0.8
166.99605	0.2
172.02689	0.3
172.11305	0.4
174.09209	0.3
175.10069	1.2
189.11595	0.6
190.12399	100.0
191.12737	6.1
202.12402	0.7
214.16043	0.9
232.17021	2.1
243.20427	0.3
246.11320	0.7
258.14987	0.8
276.16064	22.3
277.16339	2.3
294.43930	0.3
302.13965	2.9
303.14218	0.4
320.15051	20.2
321.15125	2.0
327.88391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81882	0.2
58.00605	0.3
59.01382	100.0
60.01723	1.1
71.01389	3.0
71.01762	0.2
72.99335	0.2
73.34028	0.2
75.00908	0.2
75.57188	0.2
77.51172	0.2
85.02964	0.3
87.00872	0.3
89.02460	3.6
94.06564	0.2
99.25115	0.1
101.02462	1.5
113.02461	1.5
119.03525	1.4
123.78268	0.2
133.03030	0.2
135.04469	0.1
138.05675	0.2
143.03572	0.2
149.04630	0.2
161.04553	0.4
166.16966	0.2
168.00429	0.2
179.05708	0.6
261.13242	0.2
279.10080	0.1
321.10550	0.4
321.17010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61415	0.3
54.53922	0.2
59.01381	100.0
60.01722	1.2
69.56374	0.5
69.56783	2.1
71.01396	1.2
72.99358	0.4
73.02958	0.6
74.13804	0.3
85.02961	0.5
89.02445	0.5
89.60308	0.3
101.02465	1.3
113.02518	0.5
161.04605	1.1
175.56261	0.3
187.54550	0.3
261.13455	4.5
296.37360	0.3
321.15656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0932
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01884	1.5
56.99794	1.3
57.03453	1.2
58.00590	4.6
59.01381	100.0
60.01702	1.8
68.71231	1.2
69.80357	6.4
69.80772	1.8
71.01387	56.4
72.99313	4.1
73.02940	2.0
80.40103	1.1
83.01399	2.6
85.02956	13.1
87.00888	1.8
89.02454	54.6
92.43636	1.2
95.01405	4.1
98.19858	1.9
99.02766	1.3
101.02461	32.7
113.02460	20.8
116.05083	34.6
116.75413	1.2
117.05409	2.1
119.03510	18.8
129.01988	2.7
131.03520	2.4
134.03732	1.9
135.04553	1.5
143.03540	4.6
144.04512	1.6
147.04474	1.1
159.03102	1.7
160.04063	62.6
161.02454	2.3
161.04483	4.9
165.05579	2.1
174.05667	1.9
177.04088	2.1
179.05603	4.2
193.05057	2.1
202.03210	1.8
202.05103	30.9
213.60768	1.1
232.06267	6.8
242.76607	1.4
262.07211	44.0
263.07562	2.3
301.58002	1.2
322.09329	73.5
323.09601	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	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
52.17348	0.7
55.01874	0.9
57.03466	0.7
59.01380	11.3
65.03968	1.2
71.01388	8.6
72.99294	0.9
73.02948	2.6
79.54849	0.7
81.03468	3.2
83.01432	0.8
83.05031	5.1
85.02964	3.3
89.02442	4.6
89.27115	0.6
93.03476	36.9
94.03785	1.4
95.01389	1.0
97.88699	0.7
99.00924	0.9
101.02449	6.9
104.83829	0.8
111.04536	12.0
113.02465	3.1
117.03477	6.1
119.03590	2.7
119.05045	94.9
120.05392	4.8
137.02464	29.8
138.02808	0.8
143.03490	0.9
145.02974	17.0
155.03529	23.8
161.04596	4.5
163.04030	100.0
164.04416	5.1
173.04585	1.4
184.25584	0.8
319.08215	20.8
319.17654	9.5
319.21286	4.2
320.08679	2.4
320.21481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10497	1.0
59.01367	3.1
61.98838	1.3
71.05012	2.3
71.70853	1.8
72.99309	6.4
73.07687	1.0
75.56111	0.9
83.48219	1.0
93.07072	1.0
97.26713	1.0
119.05052	8.1
139.07672	6.6
147.04538	56.2
148.04875	3.7
154.87875	1.0
165.05591	100.0
166.05911	5.2
171.10289	26.6
172.10677	2.0
223.62613	1.1
319.15457	3.2
319.18997	1.7
319.22894	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	319.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	7.1
59.01385	1.6
63.06711	0.4
72.00908	4.7
76.29260	0.4
82.06631	1.8
91.05547	7.8
91.69321	0.4
101.71312	0.5
103.05548	0.4
105.95332	0.4
112.07706	2.6
117.03716	0.4
118.06647	2.1
126.09279	1.8
129.10364	62.2
130.10686	1.9
135.04533	0.8
141.10373	0.5
147.04546	22.6
148.04910	1.3
153.10379	2.9
154.08763	10.3
164.07187	55.3
165.07556	2.5
171.11412	46.0
172.11745	1.8
183.11481	0.8
190.12364	0.6
216.13966	1.1
233.16586	31.2
234.16910	3.0
258.15143	0.6
275.17615	6.3
276.17892	0.8
277.12714	0.5
277.15485	2.8
319.16641	100.0
320.16953	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	317.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48201	0.9
59.01394	2.1
63.87794	1.1
71.70766	1.9
80.00462	1.1
106.06644	96.9
107.06993	3.2
107.49940	1.1
109.02949	0.9
110.02496	4.0
116.05090	5.3
122.06135	4.7
123.03248	2.1
124.04067	2.1
132.04562	2.9
134.06155	3.7
138.05630	15.6
140.07191	17.4
144.08252	3.0
150.05630	12.0
152.03560	37.2
158.09814	1.5
158.92845	1.2
166.05122	17.7
167.05904	100.0
168.06277	4.5
170.09773	4.7
171.10448	1.0
186.12903	16.0
187.13191	1.2
194.04646	2.9
196.07668	1.0
200.07265	2.3
201.07967	16.6
202.08249	1.6
202.12415	1.2
212.10945	1.1
213.10381	1.3
214.08693	1.8
215.09523	8.7
225.06760	4.3
226.07440	5.6
227.11873	2.5
230.11862	36.2
231.12099	2.5
239.08246	3.2
240.09048	4.7
255.08629	1.4
255.11380	45.9
256.11746	3.0
273.12442	58.9
274.10504	7.7
299.10416	11.2
317.11441	76.9
318.11710	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	317.1178
Annotation	Coumanolignan
Peak:m/z	Relative Intensity
50.27963	0.9
58.02971	5.1
59.01375	7.4
60.14474	1.4
65.71988	1.0
65.80457	1.4
69.82225	6.9
69.82634	2.1
71.01385	4.5
73.02939	2.0
74.02480	86.3
75.02814	1.2
75.44739	1.1
83.01395	1.3
84.08212	1.9
85.02950	9.1
86.02493	2.3
87.02749	2.4
89.02454	1.6
93.03437	1.4
97.04063	2.1
99.04539	8.6
99.05653	12.5
100.00430	4.8
101.02449	1.7
109.03001	1.3
110.06140	9.8
111.00893	1.1
111.04578	1.3
111.83990	1.0
115.92091	1.1
116.01743	1.8
116.92878	1.9
119.05073	5.3
123.04575	1.2
125.03590	3.7
125.06438	1.1
125.07201	8.3
129.07454	1.5
137.02478	1.6
137.09738	1.2
138.12933	2.6
139.07646	4.4
141.10382	9.9
142.06639	4.0
143.04642	19.7
143.06976	1.6
164.10815	2.0
166.12326	1.8
177.03467	6.9
185.09331	100.0
186.09599	4.5
195.15057	6.2
198.09583	2.2
199.09741	2.2
239.14006	94.8
240.14279	7.1
273.12772	4.0
317.11783	88.9
317.19571	2.5
318.12143	8.2
328.36060	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	318.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34212	1.2
56.05043	5.9
57.03447	1.9
58.00583	4.3
59.01383	100.0
61.87354	1.3
67.87582	1.4
69.91209	1.3
69.96177	5.8
71.01392	74.3
71.62105	1.5
72.01720	2.4
72.99306	5.2
73.02943	5.0
80.05077	15.1
82.03002	14.0
83.01402	3.5
85.02959	16.9
87.00887	1.9
89.02457	58.8
95.01402	6.7
96.04577	3.7
97.02959	2.7
99.00883	1.4
100.04033	4.5
101.02457	30.6
106.96696	1.3
112.04082	12.1
112.07706	88.1
112.75166	1.3
113.02466	35.1
113.08061	3.8
114.05672	2.6
116.92840	1.7
119.03530	18.6
124.03194	3.0
124.04069	56.1
125.02476	2.0
125.04418	2.4
138.05621	8.1
140.01161	4.1
141.01506	2.5
142.05119	49.1
143.03555	2.4
154.05136	2.9
155.03506	2.5
156.03856	4.4
156.06680	34.8
157.06990	2.7
161.04585	7.1
166.05064	1.7
172.06194	3.4
179.05600	5.6
182.97737	1.4
198.07739	3.2
231.23117	1.4
281.85443	1.5
305.71936	1.4
318.08646	2.1
318.11948	15.0
326.76331	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	315.1087
Annotation	Cornoside
Peak:m/z	Relative Intensity
55.01881	0.6
57.03441	1.0
59.01383	100.0
60.01716	0.7
61.98829	1.2
62.04721	0.5
63.40262	0.5
69.03479	0.7
71.01392	11.3
73.02952	3.7
74.02477	1.0
74.99100	3.0
75.00887	0.6
79.72980	0.5
83.01412	1.8
85.02959	4.8
87.00930	0.6
89.02473	1.3
93.03474	15.5
95.01420	1.0
96.04565	0.6
97.03001	0.6
99.00917	1.8
101.02469	6.6
107.05040	0.6
109.02994	1.2
112.21872	0.5
113.02462	4.8
117.97356	0.8
118.98109	28.0
121.03094	0.5
123.04576	1.5
124.01710	0.8
125.02456	3.2
130.08777	1.6
139.05130	0.7
142.06653	1.2
143.03513	1.1
143.11951	1.8
149.99608	0.6
151.00380	2.9
151.04109	0.7
152.01187	1.1
153.00693	1.0
153.01952	17.2
153.05634	1.4
154.02391	0.7
159.03053	1.4
161.04587	18.6
162.04964	1.1
167.03587	2.2
168.00719	2.1
169.01501	0.6
172.09819	1.6
177.02020	1.8
186.05705	1.2
195.03009	1.1
253.12177	0.5
255.08882	1.6
256.54697	0.5
269.11539	1.5
315.07349	6.2
315.11740	2.8
316.07925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
61.98845	0.4
65.28414	0.3
70.94162	0.9
71.01375	0.6
72.99319	1.4
85.02982	0.5
101.02431	0.3
111.00893	0.6
116.05064	2.3
117.94115	0.3
123.04539	0.6
128.05092	0.8
128.07198	16.2
129.07539	0.4
130.06670	0.8
133.91455	0.4
135.04582	0.4
142.06647	100.0
143.06987	5.4
152.01073	0.5
153.02002	1.1
153.05574	0.9
154.06198	0.4
158.06146	6.3
167.06210	1.4
174.38921	0.3
183.57338	0.3
186.05627	48.2
187.05963	2.4
204.06671	27.5
205.06955	1.7
210.58014	0.3
271.10678	0.5
315.09671	1.1
315.13715	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	316.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
61.98833	100.0
71.71157	1.4
77.72688	0.8
94.82103	0.8
114.11713	0.8
125.06089	1.6
150.98402	0.8
169.05070	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
71.01386	2.7
71.70741	0.3
71.71120	0.3
72.99335	0.6
73.02940	0.4
80.96507	0.3
83.01393	0.3
85.02972	1.2
89.02461	2.8
95.01412	0.4
96.33634	0.3
96.96031	1.0
97.02996	0.3
99.00887	0.4
99.04569	0.3
101.02454	1.8
105.72604	0.3
109.02985	0.4
110.00084	0.3
111.00879	1.8
112.07705	1.2
113.02475	1.5
116.92883	0.8
117.05636	0.8
119.03532	1.2
123.04557	0.5
124.04079	0.4
125.02531	0.5
132.98241	0.3
137.04567	0.3
138.05652	1.8
138.99423	0.5
139.00403	5.2
140.01184	85.9
141.01453	3.7
141.42769	0.3
142.05087	0.5
153.01965	1.0
153.05608	0.4
154.02771	0.5
154.05243	0.3
154.08812	0.4
155.03532	100.0
156.03868	4.4
156.06618	0.3
161.04630	0.5
165.99110	0.6
168.03137	0.3
184.00113	0.6
198.07707	0.5
279.10837	3.7
317.05359	0.6
317.08768	9.2
318.08936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2748
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03447	9.3
57.33313	0.7
59.01380	0.7
61.98822	2.3
69.03452	2.4
69.41535	1.0
69.41945	6.8
74.99059	1.4
91.02213	7.8
93.00133	1.7
118.68451	0.6
123.15108	0.7
140.38391	0.8
159.91504	0.8
230.58334	0.8
235.69298	0.8
251.23912	1.5
267.26920	47.8
268.27271	5.0
295.26505	1.3
311.25922	1.0
313.17233	1.5
313.27475	100.0
314.27869	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	314.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11600	0.5
59.01388	1.8
60.01711	0.6
61.98832	100.0
66.53012	0.5
71.01399	0.7
71.47684	1.1
72.34230	0.5
75.57727	0.6
77.55882	0.5
83.01440	0.6
108.02193	2.0
109.03002	2.1
123.04546	4.2
140.25018	0.5
152.01244	1.4
153.01978	4.0
153.05602	6.3
185.32672	0.5
211.75185	0.6
231.54221	0.5
315.07385	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01370	7.9
61.98830	9.3
69.03439	1.1
71.01393	4.8
71.70788	0.9
71.71165	0.7
73.02953	1.5
81.03465	1.4
83.01392	2.1
85.02932	3.8
89.02469	1.4
93.03481	1.1
95.01386	1.3
97.02962	1.2
101.02447	2.3
108.02190	100.0
109.02985	39.8
110.03314	1.8
110.52915	0.6
111.00820	0.7
113.02473	2.4
117.05592	11.6
118.98078	0.9
121.02972	1.3
123.00898	1.0
123.04536	16.3
124.04837	0.9
125.02476	1.8
135.04517	2.9
136.04016	0.9
137.03503	0.6
151.00340	0.9
151.04027	2.0
152.01178	70.4
153.01965	49.4
153.05586	24.4
154.02298	2.0
154.06259	4.0
161.02478	1.9
161.04529	0.9
163.03999	1.8
165.01918	1.9
165.04100	0.6
169.04843	0.8
177.01920	0.8
180.04166	1.2
180.80490	0.6
195.03043	1.4
195.04893	0.7
206.69672	0.6
225.04224	0.8
227.85390	0.6
232.06062	0.6
255.05333	0.7
256.05011	1.8
277.09467	0.7
279.10754	1.5
315.07230	98.6
315.10489	3.4
316.07452	7.8
316.10928	0.7
316.15103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
58.53622	0.2
59.01381	0.6
71.01395	0.3
71.52855	0.4
73.69682	0.2
81.03448	0.2
84.62025	0.2
89.02455	0.3
95.01444	0.3
95.05046	0.6
103.08029	0.2
109.02990	1.4
116.51033	0.2
119.03481	0.3
122.03743	0.5
123.04540	66.5
124.04878	2.4
135.04504	0.5
153.05594	100.0
154.05919	4.5
229.91978	0.2
241.66446	0.2
315.07391	0.5
315.10815	3.1
316.11087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21082	0.7
57.03443	2.7
59.01382	18.8
65.06489	0.7
71.01392	21.1
71.70611	1.0
72.99311	6.2
73.02950	4.1
74.34293	0.7
75.00889	3.2
77.11427	0.9
85.02956	3.3
85.29105	0.7
87.00902	7.7
87.04588	1.6
87.39272	0.7
88.01209	0.7
89.02457	14.2
93.03478	0.9
96.01409	0.8
99.00905	0.9
101.02457	8.1
103.00372	4.1
107.05019	1.0
113.02477	4.2
115.04012	1.3
119.03541	4.2
119.21922	0.7
121.02953	0.8
122.03727	0.8
123.04598	0.9
133.01454	3.1
133.05095	100.0
134.05438	3.4
143.03453	0.9
149.04602	1.0
149.06102	3.5
150.73782	0.8
151.04063	4.0
151.06113	4.6
161.04588	2.0
167.79817	0.8
171.33670	0.8
172.97672	0.9
176.11911	0.7
179.05649	2.9
196.19388	0.7
198.06238	2.4
223.06157	1.4
253.09328	3.9
254.05304	2.8
277.09305	3.5
313.05682	1.8
313.11868	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03441	1.5
59.01088	1.0
59.01383	18.3
70.91111	1.9
71.01380	1.4
83.01357	0.5
83.05048	0.7
83.65951	0.5
85.02956	0.9
85.28192	0.5
90.87864	0.5
97.06619	0.7
99.08179	2.7
101.02465	1.6
113.09727	3.4
123.38841	0.5
127.07640	0.7
127.11300	1.1
129.09261	5.5
139.11349	1.1
150.52634	0.5
151.11346	1.2
153.12949	0.8
155.10789	0.9
161.04533	1.6
169.12392	2.5
171.08952	0.8
171.10294	8.8
172.10629	0.6
175.11453	0.5
181.12357	4.9
183.01225	0.7
183.10240	0.6
183.13901	2.1
185.11823	1.2
190.44490	0.5
193.12325	2.0
197.11835	10.6
198.12192	0.7
199.13422	3.9
201.11400	1.3
211.13417	15.5
212.13780	1.1
213.15236	0.6
226.00716	0.6
251.11292	2.7
275.20154	1.6
293.21228	14.7
294.21506	1.5
311.22290	100.0
312.22617	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01877	1.0
57.03448	0.8
59.01377	3.1
61.26715	0.3
61.98845	0.4
62.81437	0.4
63.89110	0.3
64.72594	0.4
69.37350	5.1
71.01389	15.4
73.02956	4.9
74.38039	0.4
75.00889	0.5
83.01395	1.6
85.02960	6.8
85.34485	0.4
87.00875	0.6
88.52666	0.4
89.02425	0.7
95.01418	1.1
97.02974	0.6
98.20736	0.7
99.00887	3.0
101.02458	7.4
107.05045	100.0
108.05373	4.3
113.02465	6.6
125.02432	0.8
133.06639	0.4
133.40077	0.4
143.03560	0.8
150.06888	1.2
151.00317	0.5
151.04037	8.3
152.94420	0.4
155.31898	0.4
159.03015	2.4
161.04581	13.6
183.89886	0.4
185.78867	0.4
193.81079	0.4
233.82030	0.4
253.09244	0.4
313.09222	3.1
313.12772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.87304	0.5
52.93250	0.5
57.03443	1.3
58.00589	0.6
59.01384	6.4
65.03936	0.5
66.20435	0.4
66.94835	0.4
71.01385	0.6
71.42089	1.2
83.05029	0.9
97.02970	1.0
97.06596	0.7
99.07555	0.5
99.08160	2.5
111.08228	0.6
113.09753	3.1
121.10258	1.1
125.44804	0.5
127.11309	0.7
129.09256	4.2
138.10370	0.5
139.11313	2.9
151.11307	0.7
153.12860	0.6
154.47795	0.5
155.10699	0.7
161.04584	0.6
161.10240	0.5
163.11221	1.1
165.12851	1.1
167.14430	0.6
169.12347	1.1
171.10295	9.3
178.07690	0.5
181.12363	3.8
183.10954	0.5
183.13910	1.5
185.11874	0.9
193.12360	4.0
197.11848	7.4
198.12135	0.5
199.13408	4.0
209.11823	0.9
211.13422	14.2
212.13853	1.1
249.22200	0.9
251.11276	0.9
265.21774	1.0
275.20145	1.5
293.21249	19.3
293.30988	0.5
294.21567	1.8
311.22293	100.0
312.22629	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	0.8
59.01382	14.9
60.01695	0.4
61.98838	0.6
70.52320	0.9
70.52720	0.7
71.01376	1.3
85.02982	0.5
99.08192	0.6
101.02436	1.0
113.02444	0.4
113.09713	0.9
115.07668	1.5
117.21998	0.4
127.07660	0.6
128.08488	0.8
161.04515	1.0
167.14468	2.9
183.01205	1.0
183.13873	2.4
195.13933	10.2
196.14180	0.7
211.13390	1.3
213.14883	1.1
223.09714	0.9
241.14330	0.5
241.29411	0.4
242.15262	1.0
249.22252	0.4
251.11319	2.7
265.21774	0.5
267.23312	0.8
293.18274	0.7
293.21280	8.0
294.21686	1.0
311.22287	100.0
312.22604	9.7
325.92136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03440	1.7
57.03708	0.4
59.01086	0.8
59.01378	11.8
59.16062	0.5
60.05217	0.4
61.98824	0.6
69.03452	0.7
70.28067	1.3
71.01385	1.0
71.04985	0.6
71.16611	0.4
73.02940	0.4
79.05585	0.4
83.05012	0.5
97.02957	1.8
97.06592	0.9
97.13897	0.4
98.20650	0.6
99.08167	2.1
111.08197	0.8
113.02451	0.5
113.09724	2.3
121.10236	2.0
123.08147	0.6
123.46524	0.4
124.79920	0.4
125.09729	2.2
127.11300	1.4
129.09239	2.7
139.11296	4.3
149.09702	0.6
151.11290	0.6
153.09262	0.7
153.12892	0.5
163.11266	0.9
165.12863	1.4
167.10707	1.1
169.12350	0.9
171.10283	17.2
172.10635	1.0
175.11369	0.7
181.12364	2.0
183.01308	0.7
183.13899	1.5
185.11804	2.0
191.10992	0.5
193.12387	6.3
197.11853	4.7
199.13451	2.0
201.11288	0.7
209.11880	1.1
211.13402	11.1
212.13651	1.0
223.09602	0.6
223.20689	1.9
239.16487	0.6
249.22328	1.1
251.11429	2.2
265.21646	0.6
267.19647	0.8
275.20142	1.6
293.21228	23.0
294.21637	1.7
311.22284	100.0
312.22610	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0985
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
54.20653	0.6
55.01880	1.0
57.03444	1.1
58.00602	3.4
59.01382	100.0
60.01722	2.8
69.03457	7.7
70.03120	2.4
70.03530	1.4
71.01386	45.8
72.01740	1.8
72.99314	4.3
73.02970	5.6
75.00887	3.9
80.16225	0.6
83.01411	2.3
83.05036	0.8
85.02965	9.0
87.00890	3.7
87.04538	1.4
89.02458	49.7
90.02806	1.3
95.01420	4.0
96.36489	0.6
98.19870	1.1
98.20476	1.4
99.00922	0.9
101.02457	31.6
102.02813	0.9
103.04052	0.8
105.01962	2.2
113.02469	17.1
114.02773	0.7
119.03522	22.4
122.06168	1.1
130.08755	5.3
131.03529	4.1
131.09148	3.7
136.07788	0.7
143.03528	3.9
149.04585	3.1
149.08138	1.2
150.05673	3.1
161.04607	5.5
161.05783	1.1
162.04965	1.0
179.05612	4.4
251.11382	2.8
271.38870	0.6
311.09851	98.8
312.10403	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	309.2073
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03434	1.9
59.01378	8.2
61.98819	1.5
69.03439	1.0
71.01386	1.1
71.05036	1.0
71.41525	2.1
71.41888	1.0
74.43361	0.8
80.96454	1.1
81.03452	2.4
83.01394	8.7
83.05039	5.0
90.93360	0.9
91.22151	0.9
95.01293	1.0
95.05001	2.4
97.02962	1.3
97.06570	5.4
98.03757	2.0
99.00882	1.0
99.08142	1.1
109.06593	2.3
111.00904	1.1
111.08219	1.4
113.09784	1.0
119.05014	1.3
121.79660	1.0
123.04516	4.2
123.08166	3.3
125.06068	2.5
125.09751	12.9
127.11279	2.1
135.08148	1.7
137.09723	1.9
139.11334	11.1
151.03944	1.8
151.07620	4.1
152.08409	3.1
158.58931	0.9
163.11282	8.9
165.12865	18.0
167.10797	4.6
167.14334	1.1
168.11378	1.4
171.10243	1.7
179.14383	2.6
180.11548	0.9
181.12305	4.0
183.13913	2.2
191.10733	3.9
193.12354	1.5
193.16074	5.9
195.10167	1.0
197.11798	2.5
207.10254	1.5
209.11856	61.1
209.15329	4.7
210.12169	3.8
211.13483	1.1
219.17599	1.6
247.20674	13.3
248.21028	1.3
265.21631	4.3
273.18573	4.0
281.21182	1.3
281.97388	1.0
291.19659	100.0
292.19904	9.3
309.07428	1.1
309.17047	5.3
309.20636	38.5
310.17810	0.9
310.21060	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	310.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99042	0.6
56.74685	0.7
57.03449	0.7
58.00595	1.1
59.01382	67.4
60.01714	0.9
60.50832	0.7
61.98844	3.8
69.03482	0.7
69.59376	4.9
71.01389	27.4
72.99326	1.7
73.02957	2.6
81.32156	0.6
83.01409	0.9
84.61382	0.7
85.02961	4.3
87.00890	0.8
88.61488	0.6
89.02456	34.4
90.02789	0.8
95.01411	1.5
99.00908	0.7
101.02465	9.9
113.01768	1.2
113.02477	8.4
114.80344	0.6
116.53271	0.7
119.03531	6.6
130.08763	100.0
131.03539	1.8
131.09122	3.1
135.04497	0.8
143.03560	2.0
149.04515	0.9
161.04605	5.8
179.05638	8.2
189.05707	0.9
203.09435	0.8
225.78143	0.7
251.11369	4.3
298.92908	0.7
310.12360	1.0
311.09949	4.1
311.14539	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51789	0.7
58.00586	2.5
59.01374	1.5
69.03465	1.7
70.56711	0.7
71.19871	2.0
95.44727	0.8
109.06581	2.4
111.08173	28.2
112.08498	1.4
127.07661	2.2
151.11281	1.7
153.12878	1.9
165.12837	0.8
167.10913	1.0
169.12363	6.1
181.12352	2.6
183.13928	1.1
193.12343	1.3
197.11847	100.0
198.12175	5.3
199.13414	4.5
211.13416	11.1
212.13774	0.9
227.12878	2.4
263.20157	7.4
265.18094	2.6
273.18668	1.5
291.19644	18.2
292.20041	2.3
298.40189	0.7
309.20724	42.0
310.21063	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67545	1.2
57.03430	1.6
59.01372	2.5
69.03450	5.7
71.47720	2.8
72.24968	1.1
75.35857	1.0
76.77591	1.1
82.22614	1.1
83.05019	1.8
85.50697	1.5
97.02960	28.9
97.06597	1.7
97.38942	1.1
99.00903	1.6
107.02283	1.2
109.06599	1.5
111.08173	11.0
119.08662	1.6
122.66643	1.2
123.08170	1.5
125.09743	4.0
125.49596	1.2
137.09740	5.0
147.43225	1.3
163.11349	4.3
165.12904	11.0
169.12370	1.9
171.10307	11.1
171.49625	1.2
179.14397	1.5
181.12349	3.0
183.13889	3.4
193.12367	2.3
193.16040	2.3
197.11838	29.9
198.12222	2.0
209.11848	5.8
209.15486	2.2
211.13457	6.0
223.13354	1.4
225.11328	1.3
227.12927	7.5
247.20686	11.5
248.20821	1.4
251.16209	1.3
263.20328	2.4
273.18616	6.6
291.19656	100.0
292.20004	13.3
309.20715	66.4
310.21100	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.4
57.10104	0.9
59.01369	4.3
69.03488	1.8
69.63718	1.1
70.72896	3.0
71.05033	5.3
77.18693	0.9
83.05032	4.6
85.06589	3.4
87.04536	1.3
95.05038	1.3
96.93060	0.9
97.02963	4.6
97.06602	2.5
109.06593	4.0
111.04556	2.7
111.08226	1.6
125.09741	1.5
167.10829	1.7
171.10263	2.5
177.12852	1.4
179.14418	4.6
181.12126	0.9
183.13933	1.2
195.13928	21.6
196.14223	1.5
205.12349	2.0
211.13512	1.6
221.15463	20.4
221.17464	1.6
222.15840	1.4
223.13353	10.5
233.15479	2.0
239.16599	4.9
247.20689	3.8
251.16577	2.1
273.18567	3.4
291.19666	66.8
292.19974	7.3
309.20709	100.0
310.21051	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91576	0.3
53.52406	0.3
57.03448	0.8
59.01388	1.7
69.03448	0.5
69.87448	1.6
69.87861	0.6
70.85302	0.3
71.01406	0.6
83.05019	0.5
83.64526	0.4
95.05033	0.5
97.02933	0.6
97.06602	1.4
111.08176	0.9
112.46407	0.3
113.09756	2.5
115.07668	1.4
121.10275	0.5
123.00948	0.5
125.06111	1.3
126.06876	0.5
127.07652	0.6
139.11296	1.1
141.09241	1.7
151.07675	0.9
151.11345	0.8
152.08415	0.6
153.09190	0.5
153.12779	0.5
162.66397	0.3
163.11330	0.4
165.12842	3.9
167.10786	0.7
167.14449	2.3
181.12361	3.7
182.12830	0.4
183.13907	1.5
193.12366	1.5
193.16016	0.5
194.12744	0.4
195.13858	2.4
197.11827	1.1
209.11856	0.3
209.15442	1.0
211.13379	3.8
213.14883	0.5
221.15494	1.3
229.14435	0.9
239.12871	0.7
240.13663	2.0
241.14412	0.5
245.18994	0.3
247.20700	4.0
263.20105	0.4
265.18115	0.4
265.21664	0.8
273.18539	2.9
281.21274	1.6
291.19662	39.2
292.19998	3.6
309.20712	100.0
309.55487	0.4
310.21066	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	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.74943	0.7
53.95205	0.5
57.03448	1.1
59.01368	2.4
67.01878	1.5
70.72047	0.9
70.72446	1.1
81.91158	0.7
93.07100	0.8
97.06611	1.9
105.87901	0.5
111.08170	1.2
113.71018	0.5
116.15820	0.5
121.10255	11.0
122.25511	0.6
123.08161	1.0
125.09728	7.0
134.85857	0.6
137.09727	2.4
141.12860	0.7
144.11368	0.6
147.08153	0.7
167.14450	2.2
171.10274	3.6
185.11853	12.6
197.11829	4.7
209.11798	0.9
211.13405	66.3
212.13817	5.9
249.14862	1.3
268.83817	0.6
291.19656	100.0
292.19998	13.2
309.20605	2.9
310.20953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03442	1.4
58.00600	1.7
59.01097	1.2
59.01382	24.8
67.86193	0.8
71.01387	13.7
71.70509	1.3
72.99324	1.5
73.02955	41.1
75.00888	5.9
85.02966	4.9
87.69672	0.9
89.02467	10.9
99.00893	9.4
101.02451	7.4
101.06095	1.3
103.00385	10.6
109.38419	0.9
111.00882	3.1
112.98833	9.1
113.02472	3.3
117.01959	100.0
118.02308	1.3
119.03520	3.0
129.01941	4.5
129.05577	5.1
130.08681	1.3
131.38269	1.0
135.03017	4.6
142.99858	1.7
147.06657	3.0
161.04587	1.0
173.00941	2.5
173.66176	0.9
179.05734	1.2
196.28749	0.8
196.64307	1.0
219.38248	0.9
222.76091	1.0
239.67873	1.0
287.71780	0.9
309.11911	39.5
310.08936	1.0
310.12393	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
70.02930	1.4
70.03352	2.6
71.01389	22.7
72.99320	2.7
87.00910	1.1
89.02481	1.4
89.03984	1.7
98.19887	0.8
99.29847	0.7
104.67148	0.6
115.00393	39.7
116.00768	1.3
117.03535	4.3
133.01454	93.7
134.01735	2.4
134.03760	100.0
135.04103	4.5
142.55923	0.9
147.04538	1.4
149.06097	4.5
165.05562	0.9
178.02672	1.3
193.05078	85.6
194.05434	5.5
207.06572	0.9
212.94646	0.8
222.15836	0.7
300.79712	0.7
309.09885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.2
61.88572	0.4
67.14043	0.4
67.29977	0.4
70.12235	0.4
71.01388	22.5
81.12385	0.4
89.02421	0.6
89.03991	1.8
98.19767	1.0
101.02480	0.7
106.04272	0.5
115.00395	11.7
117.03479	8.7
121.02970	0.6
133.01453	8.4
133.04488	0.4
134.03761	83.1
135.04094	3.8
137.02483	1.4
139.04037	0.5
147.03125	0.5
149.06099	7.0
158.53044	0.4
178.02721	5.4
193.05075	100.0
194.05443	5.9
310.08371	0.5
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
57.03456	13.6
59.01381	13.5
67.61192	1.8
69.03473	3.3
70.58048	4.4
70.58410	3.2
71.01382	10.5
71.05042	2.2
80.02689	2.0
81.03454	2.4
82.15792	1.6
83.05039	7.5
85.02930	1.8
86.22643	1.7
93.03473	2.1
95.05023	5.7
97.06602	24.3
97.19093	1.7
98.03740	2.2
109.02990	2.3
109.06602	3.6
111.08167	13.0
121.06612	2.5
123.04571	1.8
123.08196	1.8
125.09736	6.7
127.11275	1.6
135.04596	3.3
137.02502	2.6
137.09758	5.2
149.09726	2.2
151.07651	2.0
151.11310	30.1
153.09274	2.7
153.12878	3.4
155.09712	1.6
155.10741	8.5
161.09663	2.2
163.11319	9.8
164.40694	1.6
165.12865	36.5
167.10794	6.2
168.11649	1.9
169.12360	3.9
171.10405	1.6
173.09814	1.9
177.12836	4.8
179.10753	12.1
181.12357	45.2
182.12723	2.8
185.11636	1.9
191.10782	18.9
191.14467	7.5
197.11726	3.8
209.11845	100.0
210.12155	5.1
211.13403	9.7
224.10614	2.4
239.09291	2.9
245.19107	36.3
246.19348	2.3
263.20190	13.2
271.17023	3.1
274.22238	1.6
279.19669	5.0
289.18069	40.9
290.18488	3.7
307.15598	4.1
307.19156	74.9
308.19525	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
57.03443	15.1
59.01376	13.9
61.55438	2.4
69.03468	3.5
69.22830	2.2
69.67658	10.3
69.68089	7.4
71.01392	15.9
71.05042	2.4
80.02706	3.2
81.03453	2.4
83.05038	6.7
95.05056	5.5
97.06601	30.1
98.19896	4.7
109.02982	3.9
109.06644	6.6
111.04536	3.5
111.08176	16.1
113.09780	2.2
123.04523	5.4
123.08187	3.5
125.09742	7.2
127.11361	2.3
137.09784	4.7
149.09695	5.3
151.11290	29.2
152.11650	2.3
153.09238	4.1
153.12939	4.9
155.10794	15.5
155.49542	2.4
158.97647	2.3
161.09801	3.2
163.11270	11.5
165.12877	35.5
166.13243	2.8
167.10820	8.0
177.09116	2.5
177.12889	4.7
177.60477	2.4
179.10802	14.0
181.12366	50.0
182.12714	4.5
191.10817	20.3
191.14444	10.4
195.10281	4.3
205.12317	5.0
209.11850	94.0
210.12196	5.7
211.13425	7.7
224.10535	3.3
239.09398	4.2
245.19128	41.9
246.19487	2.2
261.18762	2.7
263.20193	12.0
271.17087	6.0
271.70715	2.3
279.19629	8.0
289.18100	56.1
290.18445	4.5
307.19174	100.0
308.19580	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	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.15232	0.3
57.03435	0.4
59.01389	3.0
69.03447	0.9
69.88079	2.1
71.01389	0.7
71.05026	5.5
80.02697	0.9
81.03465	1.5
83.05025	1.7
83.37021	0.3
93.03492	0.5
94.38937	0.3
95.05054	1.7
97.06610	0.6
98.03743	2.0
98.20606	0.5
99.00855	0.4
99.08158	0.3
106.04250	0.8
107.05049	0.7
109.02970	0.5
109.06612	14.3
110.06945	0.5
111.04541	7.0
111.08205	1.0
112.05355	0.5
120.05898	0.4
121.06609	0.5
123.04556	0.5
123.08187	1.2
125.09694	0.3
127.07685	3.2
129.09253	0.4
131.05026	0.3
135.04567	0.4
135.08156	0.7
135.11783	0.4
137.06119	0.7
137.09715	1.0
141.09201	0.4
143.10817	1.6
145.06662	2.3
149.06084	1.1
149.09720	1.0
151.11244	0.6
161.70268	0.3
163.11282	0.4
167.10822	2.2
176.19235	0.3
177.09320	0.5
177.12891	0.6
179.10799	1.0
181.12343	0.6
191.14507	0.6
195.13914	4.1
207.17523	0.6
235.13367	1.5
245.19115	5.3
246.19547	0.6
249.14886	0.7
251.16522	1.5
258.14072	0.4
259.13312	0.5
261.18747	0.5
271.17017	1.4
273.14896	0.4
287.16571	2.2
289.18097	100.0
290.18433	10.8
307.15646	0.5
307.19156	9.2
308.19434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.7
59.01376	13.5
59.20943	1.4
61.98855	1.6
69.03461	2.2
71.01382	2.4
71.04230	4.3
71.05016	1.6
80.02667	3.4
81.03471	6.5
83.01413	6.2
83.05032	4.5
95.05044	4.0
97.02969	5.7
97.06594	10.1
109.06607	3.7
113.61739	1.5
121.06604	2.6
123.04543	6.9
123.08186	3.6
125.09727	20.2
135.04572	2.7
135.08173	2.7
137.09750	12.7
141.12831	3.0
146.68523	1.9
149.06032	2.4
151.11299	1.5
161.09702	1.9
163.07759	3.0
163.11295	16.6
165.12946	4.0
171.10260	2.6
177.12885	2.6
181.12384	5.5
185.11858	20.3
191.10837	4.5
191.14432	18.9
192.14752	2.8
207.10275	8.5
209.11838	44.3
210.12154	3.4
211.13519	3.7
217.16124	2.2
225.11330	10.1
245.19118	43.8
246.19427	2.4
263.20203	2.7
271.16974	4.8
274.24945	1.7
289.18097	100.0
290.18362	9.4
307.10529	2.6
307.15637	2.7
307.19180	55.1
308.19470	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.37817	0.7
57.03446	8.3
59.01378	7.1
59.56870	0.8
67.01894	2.0
68.64092	0.9
69.03463	3.0
69.53207	2.8
69.53635	4.3
71.01384	1.3
71.05026	0.9
80.02680	2.1
81.03473	7.5
83.01394	9.8
83.05054	5.7
90.08285	0.7
93.03455	1.5
95.05039	4.4
97.02968	7.8
97.06604	11.5
97.96481	1.0
98.19792	1.5
106.04243	2.0
107.05032	1.6
108.02251	1.0
109.06598	3.4
110.03739	1.8
111.08186	0.9
115.07626	0.9
119.08684	2.1
121.03037	1.1
121.06615	3.5
121.48464	0.7
123.04536	10.6
123.08217	5.2
125.06125	1.8
125.09743	22.8
126.10089	1.5
135.08159	4.1
136.05327	1.2
137.06102	2.3
137.09749	14.2
139.07642	0.8
139.11281	1.4
141.09262	1.0
141.12894	3.4
142.02710	2.1
149.06085	3.6
149.09731	1.2
150.10649	0.8
151.07614	1.2
151.11308	1.6
160.08965	1.1
161.09709	1.4
162.10539	1.5
163.07664	2.8
163.11310	19.0
164.08276	1.2
164.11639	2.2
165.09180	1.9
165.12845	4.0
167.10820	3.0
171.10260	2.3
175.11311	0.8
177.09270	1.0
177.12820	2.0
179.10822	2.5
181.12375	6.4
185.11858	24.0
186.12013	0.8
189.12790	1.2
191.10812	4.2
191.12682	1.5
191.14445	20.7
192.14784	1.5
195.10316	0.8
202.13716	0.9
203.14455	0.9
207.10280	13.2
209.11852	56.7
210.12193	3.5
211.13420	3.0
217.16083	1.8
219.13963	1.1
225.11354	11.3
225.34387	0.8
226.11990	1.1
227.18127	1.2
243.17599	1.5
245.19109	50.5
246.19476	4.9
247.17059	1.4
261.18454	0.8
263.20163	2.9
265.18140	0.9
271.17154	5.1
279.19763	1.1
287.16467	1.1
289.18097	100.0
290.18405	11.7
307.19168	54.6
308.19470	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	305.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
57.23391	1.5
58.02974	2.0
59.01384	20.2
61.98817	2.7
70.02984	9.7
70.58546	5.9
71.01388	4.7
72.04552	4.3
72.99303	2.7
73.02950	2.1
74.02479	100.0
75.29282	1.5
81.03455	2.4
85.02966	3.2
86.02489	2.0
87.00893	2.8
89.02447	2.2
98.02489	23.4
98.20589	1.6
99.00870	2.0
99.05655	3.8
101.02501	3.3
109.02995	3.0
111.00876	3.3
112.98817	1.7
116.03553	60.3
125.02460	7.3
128.03528	18.3
132.03644	2.7
132.04570	34.5
134.03758	6.2
135.04556	10.3
135.05492	1.6
137.02452	1.7
143.04655	12.1
143.07051	3.6
144.04564	7.9
145.08563	2.2
149.06123	9.3
160.00716	4.6
161.02480	3.6
179.03511	6.0
179.04814	2.8
183.06393	2.4
185.05728	2.2
201.06656	12.8
204.06622	2.0
210.08911	2.8
219.07861	4.6
219.12386	3.0
233.04659	2.7
235.58247	1.5
240.88594	1.6
243.07648	1.9
254.07808	3.8
261.08765	40.0
261.11679	2.6
261.12704	1.9
262.09058	2.3
272.08981	4.6
290.13571	2.1
305.06638	9.8
305.12451	1.9
305.16156	11.1
306.07565	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	305.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	51.9
71.01384	1.2
71.42371	1.3
72.99317	5.8
79.29876	0.6
97.06603	1.3
100.05132	0.6
113.09751	0.6
115.00421	1.0
119.05048	7.9
134.09795	4.4
147.04544	50.5
148.04901	2.0
157.08723	100.0
158.09062	3.0
165.05591	90.0
166.05930	3.2
190.12408	10.6
262.14429	1.4
271.20633	0.6
294.14783	0.7
305.14096	0.8
306.13513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98820	0.6
70.02989	5.7
71.01365	0.6
71.05044	0.4
71.70670	0.4
71.71152	0.5
90.98584	0.7
96.00891	0.6
110.06149	2.8
114.01995	15.8
115.02356	0.7
115.39940	0.5
132.08247	0.9
134.09784	34.7
135.06921	0.5
135.10107	2.0
148.11450	0.4
161.08461	0.9
165.05515	1.0
172.11267	0.5
175.10039	1.7
190.12399	100.0
191.12720	7.8
191.14381	0.7
261.16187	0.7
274.52408	0.5
305.11505	0.5
305.14951	5.7
306.88666	0.5
307.85364	0.5
325.63846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01862	1.4
58.02954	1.8
59.01382	7.9
61.98820	3.9
71.05028	45.4
71.71707	1.3
80.02662	1.3
81.03470	3.1
83.05007	2.8
93.03465	2.9
94.38496	1.5
95.05049	23.1
96.70038	1.2
106.04237	2.0
107.05032	2.9
109.02978	2.1
109.06614	15.5
111.04570	3.5
121.06589	4.2
122.03725	2.1
125.99873	1.2
127.07707	3.1
131.32401	1.3
135.08237	2.2
141.34120	1.4
147.04567	2.3
147.08160	4.2
149.06073	2.0
149.09758	2.0
150.06841	2.9
161.06131	3.7
161.09715	2.5
164.08446	2.1
165.09241	12.7
166.09561	1.4
167.10818	1.5
168.13927	2.1
169.14267	1.9
189.12860	15.7
205.15959	7.9
233.11902	8.4
243.17610	11.9
249.14954	14.7
261.18533	3.2
263.16623	2.8
269.15503	2.3
287.16531	88.3
288.16931	8.4
300.02298	1.6
305.17581	100.0
306.17920	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0669
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
51.52986	0.5
53.54758	0.4
57.03450	7.7
59.01389	4.2
61.98836	1.2
63.63033	0.4
64.88415	0.4
65.24683	0.5
66.22907	0.5
69.03467	1.9
69.90749	3.5
71.01393	1.9
74.02477	2.7
81.03474	4.1
83.01400	4.3
83.05022	0.6
85.02984	1.3
86.96156	0.5
89.02480	1.4
93.03478	2.2
95.01414	2.1
95.05045	3.1
97.02969	5.5
97.96615	0.5
98.02451	0.7
99.04523	0.6
101.02464	1.4
105.03544	0.6
107.05054	1.3
109.02972	15.3
111.04545	4.1
113.02499	0.8
113.06150	0.6
116.03561	1.6
121.02991	2.9
123.00904	5.0
123.04504	1.5
124.01718	4.7
125.02470	100.0
126.02770	3.3
128.03513	0.7
132.04550	1.0
133.02963	0.7
133.06549	0.7
134.03760	0.7
135.04553	7.3
137.02477	28.8
137.06133	0.5
138.03186	1.8
138.89365	0.6
139.04039	24.5
140.04356	1.3
147.04559	1.0
149.02463	1.2
149.06097	1.4
151.04027	2.3
158.03622	0.5
159.04536	1.8
161.02489	3.5
161.06091	0.7
162.03267	0.9
163.03966	0.6
163.07588	0.5
164.01178	8.0
165.01956	21.5
166.02542	1.5
167.03526	22.0
168.51903	0.5
173.06078	1.2
175.04042	2.8
175.07564	0.8
176.04765	0.8
177.01955	2.3
177.05630	4.2
178.02740	1.2
179.03517	25.7
180.03880	1.4
189.01974	0.6
189.05580	1.0
191.03481	1.2
191.07188	2.9
196.74702	0.5
201.05605	1.9
203.03459	3.1
204.04297	3.1
215.07066	0.6
217.05106	0.8
218.05765	0.8
219.06616	15.6
220.06956	1.2
221.04558	7.4
233.04643	1.1
233.08310	1.2
237.07724	1.1
243.06740	1.2
245.04619	0.8
261.07578	5.7
263.05420	0.7
287.05585	0.9
305.06683	68.2
306.07080	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	305.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23412	0.4
57.03462	0.7
59.01383	2.6
68.99576	72.2
69.83290	0.6
69.83701	2.2
70.02963	0.7
71.01395	0.9
74.02476	3.4
82.16373	0.4
85.02935	0.8
87.00862	0.6
87.04528	1.0
87.41433	0.4
88.04048	0.5
95.05037	0.6
98.02487	0.7
99.00868	0.5
109.02945	0.6
111.00874	1.1
112.98579	100.0
113.03627	0.6
113.98907	1.2
114.01945	0.5
115.00366	0.6
116.03545	2.1
116.82133	0.4
119.05035	0.5
125.02472	4.4
128.03539	0.6
131.03517	1.6
131.04613	1.8
132.04587	1.5
134.03766	0.5
135.04518	1.4
137.02481	1.0
139.04068	0.8
142.99863	1.0
144.04588	0.8
158.06119	0.5
158.08186	0.5
163.04001	0.6
165.01888	0.6
167.03458	0.9
179.03448	0.7
189.07155	0.5
201.06813	0.7
203.35283	0.4
219.00592	1.9
219.12393	1.0
261.08688	2.2
305.06311	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	305.067
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
55.86457	0.6
57.03453	8.8
59.01392	1.2
66.07195	0.6
69.03442	1.0
71.47879	1.0
74.02483	0.5
81.03482	4.5
83.01398	4.4
93.03486	2.2
95.01403	2.2
95.05025	3.3
97.02945	4.6
108.02182	0.6
109.02969	16.1
109.03676	1.0
111.04536	5.7
121.02975	3.0
123.00913	6.8
123.04568	1.7
124.01706	5.2
124.23145	0.6
125.02476	100.0
126.02805	3.2
131.05022	0.8
133.06616	0.7
135.04582	2.3
137.02478	29.5
138.03192	1.8
139.04044	21.6
147.04532	1.1
149.02472	1.0
149.06111	1.7
151.04066	2.5
152.88106	0.6
158.03577	0.6
159.04532	1.6
161.02498	2.3
162.03235	1.4
164.01196	6.9
165.01965	22.0
166.02644	2.1
167.03534	21.6
168.03810	1.0
173.06021	0.8
175.04033	2.5
175.07578	0.9
176.04901	0.7
176.42265	0.6
177.01985	2.2
177.05548	4.4
178.02745	1.5
179.03532	21.6
180.03967	1.4
181.05089	0.8
185.44626	0.6
189.05582	0.7
191.03537	0.8
191.07161	2.9
201.05656	1.8
203.03596	3.4
204.04311	3.7
218.05782	1.0
219.06641	17.4
219.08713	1.1
220.06938	0.8
221.04594	7.2
237.07739	1.2
243.06818	1.0
261.07626	7.5
263.05753	0.7
287.05853	1.5
305.06689	73.1
306.07031	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	303.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.6
58.00611	3.8
59.01092	3.3
59.01380	60.9
69.03443	3.0
70.36743	12.5
71.01391	28.1
72.99311	84.3
75.00875	23.8
79.05518	3.2
87.00865	4.0
89.02452	38.4
95.05054	4.4
97.06606	32.2
99.00900	29.7
107.05043	4.4
109.06598	12.3
111.00919	4.7
111.08176	18.6
112.98824	73.3
115.00372	3.3
117.01958	26.6
119.05032	3.7
121.06621	5.6
123.08221	6.2
124.01665	8.5
124.98876	7.1
125.06092	18.7
135.03035	29.5
135.04555	5.6
137.02470	9.0
137.06064	5.1
138.03282	5.0
139.07681	38.4
142.99879	82.6
144.00240	4.7
149.06122	21.1
153.05583	33.4
161.05908	3.3
165.05595	4.7
167.07178	49.7
173.00928	21.8
174.01717	100.0
175.02179	5.9
183.06525	4.4
185.11768	8.3
193.05032	13.4
211.06099	6.7
216.21883	2.9
217.54233	2.9
271.08307	3.4
284.57416	2.9
303.04990	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	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
60.01718	0.2
61.98833	100.0
62.98542	0.2
82.49038	0.1
107.18868	0.1
117.00497	0.2
118.00578	0.1
118.97465	0.1
119.00220	0.2
129.01875	0.1
134.97090	0.1
146.83908	0.1
159.01521	0.7
159.97443	0.2
160.01611	1.0
161.01244	1.6
161.98973	19.8
162.96625	0.2
162.99062	1.4
170.67047	0.1
193.08919	0.1
202.02686	0.4
203.02289	0.4
204.00009	3.9
205.00089	0.3
219.97968	0.2
261.98944	0.3
264.41965	0.1
304.00076	16.4
304.02661	1.0
305.00116	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	39.6
59.03318	0.5
75.37860	0.3
78.48603	0.3
79.34607	0.3
81.18118	0.3
89.17136	0.2
98.19888	1.0
112.49561	0.2
125.37883	0.3
133.45729	0.3
168.13960	100.0
169.14323	5.0
181.62389	0.2
212.12917	3.4
260.32336	0.3
302.20813	0.3
304.19196	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	2.9
59.01381	100.0
69.03437	2.8
71.01387	33.2
72.99308	47.9
75.00872	21.3
78.66981	2.2
79.05538	5.5
83.05076	2.9
85.02954	2.3
87.00848	2.5
89.02454	50.4
93.03423	2.3
95.05034	3.0
97.06600	20.4
99.00893	15.2
101.02421	2.4
103.90197	2.2
105.07078	2.4
107.05042	4.9
108.02207	3.5
109.06606	6.1
111.08189	11.8
112.98813	10.4
113.99585	3.5
117.01945	35.9
121.06621	18.9
123.08180	8.2
124.01719	6.2
124.98835	6.3
125.06104	10.6
135.03041	14.9
135.04543	6.0
135.08136	4.0
137.02489	5.5
137.06076	4.4
139.07687	18.2
139.11334	3.3
142.99881	79.9
149.06108	17.1
153.05585	21.1
153.12910	3.8
154.34277	2.5
155.10765	10.9
157.07758	2.9
166.06345	6.1
167.07143	30.6
173.00943	20.8
174.01735	24.6
181.08762	15.9
181.12323	7.7
183.06638	3.5
183.10268	5.2
193.05084	6.1
199.09749	4.9
199.13441	13.8
201.11269	8.9
211.06126	6.0
213.07669	4.9
217.10739	8.3
225.07704	35.5
225.11224	3.0
229.29594	2.9
243.12321	20.6
259.11713	3.0
261.13428	15.9
303.14471	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	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
50.04691	0.4
54.39971	0.4
58.81318	0.4
59.01370	1.2
69.03464	1.6
69.89830	0.4
81.03457	0.8
83.01390	1.8
95.01429	1.2
97.02963	2.3
107.01402	3.0
111.00871	0.7
115.95777	0.4
122.02514	0.5
123.00906	4.5
124.01690	14.9
125.02468	48.1
126.02824	2.1
131.86049	0.5
137.02507	0.8
139.04051	1.1
149.99608	26.2
151.00403	8.8
168.00664	65.2
169.01443	9.4
170.01787	0.6
215.04050	0.8
239.72087	0.5
257.06592	0.5
265.09372	0.7
283.04553	7.0
284.05038	0.7
301.05661	100.0
302.06036	9.2
302.09277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.15850	0.3
55.01876	0.4
57.03422	0.3
59.01386	2.3
61.98824	0.9
68.99825	0.2
69.03433	0.3
71.01385	5.9
71.70125	0.4
71.70526	0.4
73.02946	1.2
75.95782	0.2
81.03442	0.4
83.01392	1.5
85.02950	2.6
88.64986	0.3
89.02446	0.6
91.48711	0.2
93.03468	1.4
94.03826	0.4
95.01398	5.4
97.03015	0.4
99.00888	0.8
101.02451	3.2
108.02198	0.7
109.02959	0.9
113.02466	3.3
114.02849	0.2
121.02967	2.9
122.03711	0.5
123.00901	100.0
124.01793	6.6
125.02472	7.9
125.51905	0.3
133.03000	0.3
135.04454	0.3
136.01680	0.7
137.02483	4.3
137.06160	0.3
138.03249	64.0
139.00414	0.7
139.04051	16.1
139.31989	0.2
140.04395	0.8
143.03464	0.6
147.72820	0.2
149.02440	2.6
149.99609	1.9
150.03236	0.8
151.00409	3.1
151.04047	1.9
152.04359	0.3
159.03040	0.7
161.04570	5.0
163.04024	0.8
166.02730	2.0
167.03485	0.3
168.00664	6.5
169.01445	2.5
170.01878	0.3
172.09845	0.3
178.02765	1.2
179.03453	0.4
181.05081	6.4
181.06703	0.3
186.07735	0.5
193.05099	2.6
241.03641	0.6
253.81131	0.3
269.06546	0.3
283.04791	0.5
284.12796	0.3
286.08646	0.3
301.05728	13.0
301.09332	4.3
302.06058	0.8
302.09357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01383	2.2
71.01385	0.4
71.71684	0.3
72.99322	0.2
73.21021	0.2
75.37344	0.2
80.02680	2.8
81.03448	0.6
83.01382	0.3
85.46659	0.2
91.04009	0.7
93.03473	0.3
97.02928	0.3
97.06599	0.3
107.05025	0.6
109.06604	8.4
110.06915	0.6
111.08135	0.3
138.06894	0.8
147.04550	0.4
151.00365	0.5
153.05594	14.4
154.05957	0.9
157.08775	0.3
165.05591	0.3
165.12866	3.7
183.13913	100.0
184.12653	0.5
184.14255	5.8
209.11842	2.2
218.20938	0.2
227.12891	6.0
228.13268	0.5
237.18532	0.3
241.16057	0.4
243.83836	0.2
271.05923	0.3
273.03552	0.3
301.03488	1.2
301.16571	14.5
301.20184	4.6
302.17038	1.4
302.20114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12869	0.2
55.15430	0.2
55.15986	0.2
59.01377	1.3
61.27993	0.2
61.98830	0.5
68.01418	0.6
70.78828	0.2
71.00513	0.5
71.01413	0.2
73.02980	0.2
80.33425	0.2
93.03468	2.1
94.03799	1.4
95.05050	0.4
102.02920	0.2
108.02275	0.2
113.02483	0.2
122.02470	0.4
123.03284	8.7
137.02481	3.1
137.04843	0.7
138.02834	3.6
138.05632	100.0
139.05989	4.0
152.07187	0.7
165.04384	0.5
166.08987	0.2
167.05884	0.5
171.02802	0.2
180.06641	1.8
194.38263	0.2
300.10889	7.3
301.11200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0566
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
69.03455	2.0
69.73888	2.6
80.26120	0.4
81.03461	0.9
83.01411	0.8
95.01405	0.7
96.16768	0.4
97.02958	1.7
98.20600	0.7
107.01399	1.1
108.53782	0.3
108.74722	0.4
123.00879	2.2
124.01687	12.8
125.02462	44.9
126.02785	2.0
129.55544	0.4
137.02527	0.6
149.99603	25.7
151.00430	2.7
167.03580	0.6
168.00658	68.9
169.01402	7.5
194.02336	0.4
224.37209	0.4
257.06778	0.4
280.89258	0.4
283.04587	6.3
284.04843	0.4
297.42648	0.4
301.05643	100.0
302.05981	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00343	0.4
50.01236	0.1
58.00594	0.2
59.01381	2.4
65.44746	0.1
68.01419	2.8
70.35826	0.3
70.36217	0.3
71.01383	0.8
72.99313	0.2
75.00858	0.2
78.91895	0.2
85.02963	0.2
87.29898	0.1
89.02460	0.4
94.06633	0.2
95.05080	0.4
96.04581	0.4
101.02459	0.3
108.08369	0.2
110.06153	0.3
122.02501	0.8
122.06163	0.2
123.03290	5.8
124.07700	0.9
125.06127	0.1
130.08752	0.7
136.07751	0.8
137.03900	0.1
137.04863	0.9
138.05635	100.0
139.05994	3.7
140.07178	0.2
141.05635	0.2
150.05612	0.2
152.03487	0.3
152.07207	1.7
156.07692	0.2
166.08755	0.4
167.05890	2.2
168.06636	0.5
180.06691	5.1
181.07071	0.2
186.07780	0.3
192.06737	0.2
210.07733	0.6
218.79321	0.1
222.07758	0.2
223.43230	0.2
240.08824	0.4
240.95056	0.1
285.83936	0.1
300.10895	17.4
300.19345	0.6
301.11273	1.0
306.02786	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	0.2
59.01377	0.8
60.41320	0.2
61.98842	0.3
68.01429	0.7
70.87065	0.6
71.01405	0.4
93.03461	0.2
95.05068	0.3
113.09980	0.2
122.02522	0.4
122.06111	0.3
123.03285	9.5
124.07732	0.3
137.02461	0.2
137.04852	0.8
138.05637	100.0
139.05988	3.5
152.07224	0.4
153.01546	0.2
159.50803	0.2
165.04326	0.6
167.05899	0.6
180.06699	1.9
182.70822	0.2
210.07625	0.2
294.42789	0.2
300.08002	0.4
300.10870	7.1
301.11130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
62.21900	0.7
65.19173	0.9
71.01408	0.9
71.71062	1.3
72.02161	2.4
72.25378	0.7
80.73175	0.7
94.60254	0.7
123.08204	8.4
136.91690	0.7
137.09756	0.9
145.47122	0.7
150.65862	0.7
152.02086	0.7
165.12849	3.7
178.51318	0.8
191.90794	0.8
193.12296	1.3
203.34085	0.9
207.10258	1.3
209.12004	2.5
209.15485	100.0
210.15799	5.7
235.13472	1.7
240.99300	0.8
253.11911	1.2
253.14476	16.5
254.14735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66253	0.8
59.01376	7.8
66.59843	0.8
70.91264	1.8
70.91636	1.8
71.40923	0.9
72.02157	2.6
74.54269	0.7
89.02494	1.1
93.40562	0.9
101.02473	1.4
123.08182	8.4
135.29828	0.8
161.26115	0.9
165.12830	3.6
170.16370	0.9
183.81882	0.8
193.12352	1.3
207.10182	1.5
209.11978	3.2
209.15471	100.0
210.15826	8.0
235.13438	1.2
238.12454	0.9
253.14452	13.3
254.14923	1.0
297.24365	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	299.0775
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
50.43041	0.8
55.01873	1.4
57.03446	1.0
58.00592	3.1
59.01381	69.0
61.98833	20.9
66.24313	0.8
70.86430	1.3
70.86764	1.4
71.01391	32.7
72.99317	2.4
73.02953	1.4
83.01396	1.5
85.02953	6.4
87.00917	1.9
89.02458	34.4
93.03471	31.5
93.04075	1.2
95.01398	2.9
101.02464	17.8
104.08364	0.7
107.05016	0.8
108.02153	0.8
113.02470	15.5
119.03529	10.9
121.02959	1.6
135.04536	1.6
136.01665	7.4
137.02470	100.0
138.02791	4.7
138.05623	5.2
143.03510	1.1
149.02496	2.4
151.04054	5.3
161.04526	0.8
179.03517	39.9
180.03787	1.6
209.04605	6.2
239.05606	18.7
244.47585	0.9
299.07745	83.3
300.08124	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	297.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65567	2.0
58.00584	2.5
58.71485	1.7
59.01380	84.4
69.62589	16.5
69.62916	3.4
71.01386	59.1
71.01762	3.7
72.99304	2.4
73.02951	100.0
74.02470	2.1
74.03318	3.1
75.00875	3.9
77.83704	2.0
83.01417	2.7
84.75869	1.6
85.02963	7.9
87.00893	6.2
89.02454	79.4
95.01380	2.9
98.20657	3.2
99.00902	3.2
101.02457	19.8
105.01935	12.8
113.02464	15.4
116.07146	1.9
116.08943	1.9
117.01958	40.6
118.05150	6.8
119.03506	11.9
131.03532	2.7
135.04521	2.9
135.06657	5.2
143.03516	5.5
156.99937	2.1
161.04562	9.2
179.05640	11.5
237.09886	6.4
295.12466	1.8
297.08292	5.5
297.11975	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1132
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.01882	2.2
57.03226	0.4
57.03452	4.9
59.01384	8.9
68.99818	1.0
70.63083	1.7
71.01386	1.0
79.01899	14.3
79.05526	0.8
85.02964	0.5
87.04520	1.3
89.02465	0.7
99.00880	0.5
101.02457	1.1
109.02978	1.3
119.18975	0.4
121.06607	1.0
123.59249	0.4
125.06103	0.6
133.85905	0.4
147.04526	1.2
149.06110	14.0
150.03233	1.7
155.08716	0.6
159.08171	1.6
161.04597	0.5
166.06378	0.7
167.07198	3.6
170.75630	0.4
171.04546	3.9
172.04871	0.4
173.09752	1.1
178.02689	1.3
183.01189	1.9
183.08203	2.0
191.03513	1.0
193.05074	14.7
193.79439	0.4
194.05415	1.2
197.02734	1.2
197.09734	0.5
200.08507	0.9
204.01027	0.5
204.42921	0.4
209.08194	0.5
211.11272	1.5
216.75734	0.4
225.12872	0.5
237.09818	2.4
253.09705	0.6
253.12354	10.6
254.12617	1.0
255.10300	0.7
269.11957	0.5
297.11340	100.0
297.14966	5.7
297.24384	4.8
297.27710	0.8
298.08514	0.4
298.11649	9.2
298.15137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84408	1.1
57.03448	7.3
58.61314	1.1
59.01384	40.8
60.05513	1.0
62.24312	0.9
70.28796	4.7
71.01395	5.7
72.99317	4.0
73.02946	1.7
75.00882	14.0
83.05033	2.5
85.02966	5.4
85.06596	1.1
87.00893	1.9
87.04441	1.0
89.02456	3.2
93.03460	2.5
97.06589	1.3
99.04538	2.5
100.77425	1.0
101.02463	11.3
109.02952	1.0
109.06590	4.2
109.27054	0.9
111.04554	2.6
111.08157	1.3
113.06092	1.5
115.71073	1.0
119.05010	1.5
121.02993	1.0
122.03730	1.4
123.02687	1.2
123.04527	1.8
127.04032	2.3
127.07667	1.6
127.12173	1.0
135.03023	46.0
135.04529	12.1
135.08174	4.4
137.02454	4.4
137.06111	32.8
137.09760	3.3
139.07703	1.6
147.04591	1.2
148.05301	3.2
149.02408	1.1
149.06108	2.9
149.09679	1.7
151.04063	1.2
155.07162	4.2
159.04413	1.7
161.02461	1.8
161.04619	1.8
163.04036	1.7
163.07574	1.0
163.11304	3.6
164.08417	1.6
164.62527	1.0
165.05536	1.6
165.09236	3.7
167.10815	2.2
169.05083	1.1
175.07567	1.2
177.01982	2.0
177.05574	19.2
177.09193	8.4
179.03526	3.1
179.05600	1.1
179.10762	1.4
181.05045	2.1
181.08618	1.0
186.84558	1.0
191.07111	2.1
191.10796	28.4
192.07947	11.2
193.05023	1.0
193.08652	1.3
193.12360	18.3
207.13983	7.8
209.11871	2.4
211.13470	5.0
217.12331	2.0
222.05289	4.5
223.06091	1.1
225.14891	1.6
235.13393	100.0
236.13826	6.2
237.07700	17.2
237.09801	2.6
238.08220	1.9
239.12892	2.6
251.12833	11.3
253.14461	26.4
254.14604	1.9
267.12210	1.5
297.10123	2.5
297.13412	7.2
297.24451	9.1
298.13666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
57.19226	1.7
58.00591	2.1
59.01380	94.9
62.47610	1.6
63.62449	1.4
71.01389	54.4
71.70897	3.3
72.00938	2.0
72.99303	5.1
73.02950	100.0
75.00888	4.6
83.01408	2.4
85.02956	7.1
87.00901	2.7
89.02454	69.9
95.01407	3.4
99.00887	2.5
101.02445	20.9
102.29568	1.5
103.00386	2.5
105.01954	22.5
113.02451	17.2
116.07159	2.2
117.01955	71.8
117.05619	1.7
118.05134	7.4
119.03526	11.7
131.03531	2.8
135.06654	5.8
143.03503	3.0
149.04564	2.5
149.63744	2.0
161.04562	10.0
179.05603	11.9
237.09753	8.1
297.08331	6.8
297.11966	16.4
297.24127	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29326	0.4
57.03444	1.4
58.63479	0.4
59.01383	7.9
61.98836	0.8
70.87682	1.4
71.01398	0.8
75.06183	0.4
97.06587	0.8
99.08169	0.7
102.45963	0.4
113.09729	2.7
115.00366	0.8
127.05045	0.5
127.89607	0.4
129.09261	0.5
133.01451	1.0
135.04526	0.5
177.12892	1.0
179.14409	1.1
181.12303	0.6
183.13892	3.3
195.13913	23.4
196.14256	1.9
233.22731	0.6
235.08354	0.5
251.23653	0.5
277.21729	22.2
278.22125	1.8
295.22806	100.0
296.23148	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14393	0.7
53.33608	0.7
55.27587	0.6
57.03450	1.5
57.61232	0.6
59.01381	13.5
61.98821	1.3
71.01377	0.6
71.70966	0.7
71.71433	0.8
84.86906	0.6
99.08151	0.8
101.02457	0.8
115.00380	1.2
122.57619	0.7
125.09814	1.4
127.11340	1.1
133.01466	3.7
155.14426	0.9
161.04556	0.8
171.10294	46.5
172.10614	3.3
183.10297	3.2
259.20615	0.9
277.21741	59.7
278.22076	5.2
295.22827	100.0
296.23166	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	297.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02106	0.2
57.03451	1.2
58.00577	0.2
59.01381	7.1
61.65887	0.2
69.37798	2.0
69.38219	0.6
71.01392	2.0
72.99310	2.7
73.02976	0.8
75.00883	25.8
75.25155	0.2
76.01218	0.3
83.05029	0.3
85.02985	0.7
87.00917	0.6
89.02462	4.5
96.09828	0.2
99.00912	0.3
101.02493	0.4
109.06600	0.2
117.01959	2.0
133.01483	0.3
133.02989	1.7
134.03745	1.0
135.03027	100.0
135.04510	9.7
136.03314	2.2
136.04898	0.5
137.02463	0.4
141.05887	0.2
149.02515	0.3
149.09726	0.3
151.11292	0.3
161.02486	4.1
161.04495	0.3
169.87189	0.2
177.09288	0.5
178.02548	0.2
179.03549	5.7
180.03925	0.3
191.10849	0.3
193.05013	0.3
193.12384	0.6
205.12311	0.7
207.13925	0.5
211.13423	0.4
220.80568	0.3
222.05457	0.3
225.15021	0.5
235.13405	3.1
237.07736	0.6
237.09854	0.6
253.14447	4.8
297.06113	2.0
297.09329	0.3
297.13547	1.0
297.24432	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.60450	0.4
53.46053	0.4
59.01386	4.1
65.93347	0.4
68.41437	0.5
71.01369	0.6
71.41132	0.6
99.08202	0.5
113.09762	0.7
125.09705	0.7
130.99408	0.5
139.11285	0.7
155.10782	2.0
171.10289	13.5
172.10585	0.5
183.10295	7.8
195.13940	7.0
196.14253	0.5
196.75023	0.5
220.02248	0.4
233.22862	0.5
277.21735	26.4
278.22079	1.5
295.22797	100.0
296.23138	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	295.2281
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
53.27489	1.2
57.03443	1.3
58.05289	1.2
59.01382	26.1
61.05973	1.2
61.98815	2.9
65.60884	1.2
69.03433	1.5
71.01382	4.5
71.71606	1.9
71.71999	1.5
72.99326	1.4
73.08978	1.2
101.02383	1.4
111.08223	2.0
113.09749	2.5
115.00393	5.2
133.01450	12.9
142.98009	1.2
157.07416	3.3
157.08720	68.8
158.09027	3.9
179.03540	2.9
235.08099	2.3
243.17500	1.6
277.21729	53.2
278.21970	6.6
295.22781	100.0
296.23178	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	295.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59872	0.4
53.40765	0.4
54.06387	0.3
59.01381	100.0
60.01712	0.6
64.80932	0.3
70.47842	1.2
71.01395	1.1
73.02966	0.6
82.64243	0.3
85.02984	0.5
96.95973	0.3
100.08807	0.3
100.59148	0.3
101.02487	1.3
113.02450	0.5
115.00407	0.3
133.01460	0.8
133.03038	0.3
161.04593	0.8
214.53427	0.4
235.11890	3.5
243.50604	0.3
257.89288	0.3
263.68750	0.3
270.10403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74298	0.4
55.80488	0.4
59.01381	100.0
59.75533	0.4
60.01717	1.2
61.98823	1.9
70.86979	0.8
70.87377	0.8
71.01393	1.6
73.02950	0.7
75.77032	0.4
83.01440	0.5
83.06553	0.3
85.02997	0.6
86.02791	0.4
98.29665	0.4
101.02454	1.7
104.64928	0.4
113.02486	0.4
115.00404	1.1
115.36220	0.4
124.87045	0.4
125.73083	0.4
133.01450	1.9
149.06113	0.5
160.01675	0.9
160.52527	0.4
161.04636	1.2
161.06145	1.0
175.04024	1.0
191.07253	0.7
235.06172	0.7
235.11844	4.0
250.48012	0.4
251.09274	0.5
295.08505	0.4
319.47391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36995	0.8
55.73963	0.8
57.03429	1.3
59.01385	13.4
69.03471	5.3
71.01391	2.9
71.72103	1.5
72.00915	7.1
72.04549	2.0
72.99312	4.5
73.02952	1.2
82.02992	38.3
83.01371	0.8
83.03316	1.0
84.04546	1.8
85.02963	28.8
87.00893	1.7
91.05527	2.0
96.06047	0.7
98.02460	0.8
99.00906	1.1
100.04056	24.0
101.02460	18.3
102.05621	12.2
109.02967	0.8
111.00893	1.4
111.06116	0.7
112.44778	0.7
113.02496	3.5
118.06642	3.1
119.05087	3.9
121.02962	3.5
123.04517	0.8
128.03568	3.1
129.01961	100.0
130.02304	2.5
132.02208	4.1
133.01465	1.9
133.02965	5.2
134.02690	1.0
134.03766	14.8
135.04576	1.9
137.02478	1.2
144.04588	1.5
146.04613	4.2
146.06003	0.7
147.04541	46.1
148.05144	2.2
149.02432	1.3
149.06088	5.7
150.06847	1.0
151.04034	1.2
160.01683	25.9
160.04004	2.5
162.02013	0.7
162.05557	1.5
164.07187	79.6
165.05594	31.3
165.07564	3.7
165.09023	0.7
166.05959	1.4
175.04027	25.9
176.04825	10.0
176.85072	0.8
177.01913	1.9
178.02699	1.8
186.09273	1.8
188.10715	1.0
189.09264	0.9
190.05107	3.2
191.07141	17.0
193.05081	14.3
204.10338	1.4
205.05113	1.1
205.12247	3.6
207.06688	1.2
208.03889	2.1
214.08612	1.6
217.05203	1.4
219.15547	0.7
220.03761	2.1
223.06146	3.1
223.13383	2.1
232.09782	2.8
233.11850	1.2
234.03970	1.2
235.06134	23.1
250.10806	0.8
251.12897	5.1
252.05203	2.0
276.08771	39.8
277.09167	3.4
294.06567	1.7
294.09833	22.2
295.08099	13.5
295.15527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2076
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
59.01376	16.4
61.98828	5.2
68.05053	3.8
84.04567	1.5
94.02998	6.5
98.20657	1.9
100.38120	1.0
101.02439	1.3
104.37334	1.0
110.06120	2.3
115.00387	1.6
122.06114	2.6
133.01421	2.8
141.47354	1.2
151.11255	1.1
153.12852	6.0
155.14458	1.2
169.15948	4.7
179.14395	1.4
181.15961	6.4
195.17561	17.6
196.17828	1.4
196.92651	1.2
204.17526	3.1
214.56837	1.2
222.18629	93.4
223.18959	8.1
229.38895	1.5
237.10918	1.2
248.20274	1.5
250.21753	100.0
251.22073	8.4
259.86099	1.2
294.20755	94.5
295.20837	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.3
74.67020	1.1
98.20682	1.9
112.01060	0.9
115.42283	0.9
121.10256	39.4
122.10583	1.8
125.09746	1.9
127.11285	1.2
131.05469	0.9
171.10289	69.9
172.10620	2.9
175.39473	1.1
183.10292	2.1
183.13936	3.9
185.11836	3.9
197.11879	1.5
227.84552	1.0
229.96063	1.6
231.21167	4.3
275.20154	100.0
276.20572	9.1
293.21222	76.3
294.21475	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83189	0.5
57.03434	0.6
59.01374	0.8
69.51077	5.6
113.09773	0.7
140.05354	0.5
145.98047	0.6
167.10855	0.7
179.14476	1.3
195.13921	10.8
196.14607	1.9
205.12360	1.2
205.15919	0.9
211.13445	1.1
223.13364	10.5
224.13789	0.9
228.13805	1.3
256.13181	4.7
275.20163	7.5
276.20404	0.7
293.21228	100.0
294.18530	0.9
294.21585	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76022	0.6
57.03453	3.2
59.01383	4.6
61.98821	1.4
70.28066	2.6
71.01398	1.3
71.05019	1.6
84.14217	0.5
89.02432	0.5
96.96025	1.2
113.09744	10.8
121.10252	7.0
125.09733	0.9
139.11305	1.0
149.09634	0.7
167.10684	1.3
171.10300	15.4
172.10648	1.2
177.09106	0.5
177.16504	0.6
183.10283	0.9
185.11862	1.6
193.15964	1.4
195.13948	1.6
220.14751	2.5
221.15468	5.3
223.17050	1.8
231.21201	1.7
235.17056	11.3
236.10495	2.9
236.17349	0.9
238.34035	0.5
249.18651	0.6
249.22214	1.5
262.19940	0.5
275.20157	29.9
276.20493	2.8
293.08810	1.7
293.14136	2.4
293.21219	100.0
294.21548	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01362	0.7
61.98820	0.4
63.55007	0.2
66.35600	0.3
66.90970	0.3
67.76500	0.3
69.61536	2.4
71.79540	0.3
75.24722	0.3
77.03780	0.3
80.02655	0.6
97.06599	0.7
98.20661	0.6
101.75423	0.3
119.05055	0.4
125.06092	0.4
135.10097	0.4
138.95728	0.3
148.08981	1.4
150.10527	1.0
151.11292	0.6
163.11290	1.1
165.12863	21.7
166.13203	1.3
175.11209	0.3
176.12079	0.7
177.12880	0.5
191.14435	0.7
217.15973	0.6
247.20737	10.8
248.21030	1.2
273.18628	6.4
274.18933	0.6
291.19666	100.0
292.20007	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01377	5.6
61.98825	4.4
71.20408	2.5
71.96875	0.8
73.58644	0.8
83.05047	1.8
107.08688	1.0
111.08203	1.3
121.02986	1.1
125.09757	4.4
127.11318	3.1
135.04541	1.2
151.11320	1.4
153.12852	3.5
185.11800	1.2
192.40567	0.8
195.78508	1.0
211.13420	1.0
221.08165	0.9
229.19647	2.5
247.16985	1.5
247.20697	7.0
263.20157	16.9
264.20386	1.6
266.72974	1.0
273.18622	18.2
274.18921	2.9
283.12881	0.9
284.96735	1.0
286.17587	1.0
291.19659	100.0
292.20050	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01366	0.9
61.98838	0.5
64.55048	0.4
69.03452	0.7
70.39832	1.5
71.01383	0.5
79.21588	0.5
80.44688	0.4
93.07105	1.5
97.06590	1.4
111.08185	1.0
121.10254	13.0
122.10600	0.6
123.08200	1.0
125.09741	6.7
141.12891	0.8
152.13469	0.4
172.51424	0.5
185.10214	0.6
185.11870	11.9
186.12187	0.7
197.11884	3.2
204.39209	0.5
209.11845	1.4
211.13374	2.0
211.19012	0.6
223.13359	1.2
247.02556	0.6
247.13342	0.7
247.20595	1.6
273.18542	1.8
274.18732	0.4
291.19656	100.0
292.20001	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66673	0.9
55.01871	1.7
57.03440	2.3
58.00592	5.4
59.01380	100.0
60.01711	1.7
61.98820	1.4
71.01385	55.4
71.54873	1.0
71.70853	1.0
72.01717	1.0
72.99296	4.4
73.02943	2.0
83.01376	1.9
85.02954	10.8
87.00893	2.6
89.02456	68.2
90.02791	1.2
95.01379	4.7
99.00890	3.4
101.02460	39.1
113.02461	23.6
113.06097	2.8
114.02816	1.0
116.52342	0.7
119.03523	32.0
127.05134	1.9
128.03545	1.7
131.03511	2.7
131.07144	5.5
143.03490	3.7
147.04492	1.3
149.04614	3.3
161.04570	1.0
164.07167	1.5
179.05597	2.8
275.10443	1.9
293.12393	88.1
294.12631	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.0
57.03447	4.4
59.01381	19.9
60.72632	2.0
61.38835	1.9
62.58838	2.0
67.01900	1.9
68.99837	2.2
71.01385	25.7
71.70966	2.6
72.99348	2.6
73.02953	55.5
74.03281	2.4
78.95914	27.2
83.01395	6.8
85.02961	7.7
87.00881	4.6
88.98879	1.7
89.02480	10.6
98.54510	1.9
99.00894	40.5
99.04531	2.1
101.02454	2.9
110.98555	19.7
111.00900	8.6
112.98825	100.0
115.00385	5.7
115.92074	2.7
116.92882	14.5
117.01956	55.5
117.03782	2.0
124.98807	4.5
128.09662	1.9
129.01971	4.4
129.05641	3.5
135.04547	18.9
142.99878	59.1
145.01450	6.7
147.06636	4.1
156.06590	3.2
173.00922	38.5
174.01254	2.2
189.05452	2.5
249.12415	4.5
252.64458	2.2
291.07330	3.2
291.10938	3.9
291.14667	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	291.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39988	0.2
55.95824	0.2
56.49504	0.2
56.70269	0.2
59.01378	1.7
61.98822	0.5
69.87988	1.2
71.01389	1.3
73.02959	0.3
73.88474	0.2
74.02483	0.2
79.10648	0.2
79.75748	0.2
81.03458	0.2
83.05033	0.6
85.02964	0.6
87.00914	0.3
89.02454	0.6
98.19988	0.4
100.34530	0.2
101.02460	0.8
107.05042	0.8
109.03026	0.2
109.68755	0.2
111.00876	0.2
111.04518	1.0
112.08839	0.3
113.02470	0.3
117.53275	0.2
118.98121	0.2
119.05056	0.3
123.68675	0.2
124.88139	0.2
129.05602	5.0
131.97319	0.2
133.03006	0.3
134.03790	1.4
135.04543	100.0
136.04880	4.3
137.59839	0.2
145.81274	0.2
148.05362	0.7
159.03273	0.2
160.04031	0.4
161.02486	0.3
161.04597	0.2
163.04007	0.4
176.03539	0.2
178.05122	0.3
207.11392	1.4
208.11713	0.3
230.11716	0.2
247.08618	0.3
249.12439	19.7
250.12764	1.6
274.12000	2.1
291.10919	3.7
291.14603	34.4
292.11874	0.3
292.14954	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	290.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.0
61.23159	1.8
68.04869	1.8
69.46988	3.5
69.47407	13.1
72.99325	2.9
115.22538	2.0
116.05088	4.8
128.05089	1.6
130.06673	3.3
133.90303	1.4
142.06642	100.0
143.06992	7.3
158.06139	12.0
161.03607	5.0
186.05629	43.8
191.44955	1.9
204.06677	61.5
205.07045	5.5
234.33212	1.7
246.07726	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	290.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.8
64.13784	2.4
64.59655	2.7
84.20292	2.8
97.29615	2.6
98.20677	5.7
99.68214	2.2
103.82537	2.5
108.96226	2.6
116.05084	6.4
128.05042	3.4
142.06650	100.0
143.06987	4.5
158.06148	12.5
186.05637	41.4
204.06670	57.7
205.06992	3.9
246.07695	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	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79797	0.6
55.01881	8.3
57.03449	6.6
58.00589	2.6
59.01381	47.0
61.98827	5.9
68.99826	0.6
69.03457	1.5
69.83153	0.7
71.01389	100.0
71.71030	1.2
72.01723	1.5
72.36124	0.7
72.99313	4.3
73.02953	38.2
75.00900	3.9
83.01397	16.6
84.02181	1.2
85.02960	46.8
85.37535	0.7
86.03313	1.8
87.00891	6.2
89.02447	10.6
95.01393	6.8
97.02969	3.0
99.00249	1.2
99.00896	16.5
99.01522	1.2
101.02458	77.3
102.02813	1.8
109.04140	0.7
111.00912	2.6
112.98826	0.7
113.02464	40.1
114.02798	2.2
119.03546	2.5
125.02492	2.9
126.05635	0.8
128.03564	1.3
128.07204	1.8
129.01965	3.0
129.05621	1.7
130.08743	1.5
131.03551	0.8
132.04651	0.7
132.98221	1.6
135.04532	5.3
143.03525	4.3
156.29851	0.8
159.03015	10.2
161.04578	42.9
162.04909	0.9
174.99294	0.9
183.08850	0.7
202.98871	0.9
205.03615	1.9
230.98032	0.8
231.01820	1.0
249.12645	0.9
278.76053	0.7
290.12445	9.0
290.97107	1.3
291.04889	1.0
291.10736	1.2
291.14719	1.6
303.28033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39874	1.6
52.19345	1.6
57.03442	1.9
59.01368	7.1
60.84201	1.7
70.00105	5.7
70.00506	2.9
70.98555	1.9
71.01397	3.9
72.84167	1.6
85.02965	4.6
87.00883	100.0
89.02432	1.7
91.26643	2.0
95.05033	2.3
95.43002	1.6
95.94004	1.5
97.06606	9.2
99.00986	1.6
99.08179	3.1
103.29082	1.4
107.00740	2.0
107.05006	4.6
107.12418	1.8
109.06617	1.6
111.08200	3.9
123.04529	4.6
123.08160	2.2
125.06077	5.4
127.07687	14.2
129.01956	11.6
137.06068	3.1
139.07687	17.3
147.02991	10.0
149.06079	8.8
151.07629	2.0
151.74863	1.7
155.07155	35.5
167.07140	26.0
169.13057	1.6
227.09282	3.9
237.59174	1.7
276.37906	1.7
289.09464	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	289.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03453	5.7
59.01375	2.9
61.98835	1.7
67.02258	0.6
69.03464	1.9
69.47462	3.0
69.47893	3.4
70.56404	0.6
71.01376	2.5
72.99319	2.2
73.02959	2.0
74.99101	0.6
75.00879	1.7
80.02698	0.6
81.03456	4.5
83.01397	4.4
83.05024	1.1
85.02969	2.3
87.00869	1.2
89.51604	0.8
93.03459	2.5
95.01368	1.1
95.05040	6.0
97.02972	11.2
98.03324	0.6
98.64738	0.5
99.04517	1.4
101.02430	1.2
105.03507	1.0
107.05015	0.6
108.02174	1.6
109.02972	42.9
110.03301	1.1
111.04542	0.9
117.03465	0.7
118.98071	3.2
121.02950	4.8
122.03757	1.8
123.04550	26.9
124.04867	0.6
125.02473	24.6
125.06113	1.1
127.07748	0.8
132.02193	0.6
133.02985	14.7
134.03378	0.8
135.02989	1.1
135.04529	4.0
136.72430	0.6
137.02472	14.6
137.06100	1.2
138.03229	2.1
139.04005	5.9
145.02936	2.2
146.03749	2.6
147.03221	0.8
149.02464	7.0
149.06160	0.9
150.03207	2.2
150.05644	0.9
151.04051	12.6
155.07153	0.6
158.03790	0.6
159.04529	3.8
160.05318	2.9
161.02434	2.1
161.06117	8.2
162.03224	2.2
163.04012	2.1
164.01173	5.2
165.01978	5.5
166.02629	1.0
167.03477	3.4
167.07213	0.7
169.05145	0.7
171.06616	2.9
173.06056	1.8
174.01741	4.5
174.03130	1.2
175.02675	2.8
175.04024	2.7
175.07710	3.9
176.03540	1.0
177.05540	1.2
179.03523	10.3
185.06055	1.3
186.16116	0.6
187.04024	7.0
188.04832	5.3
189.05348	0.8
199.07773	1.0
201.05713	1.3
201.07674	2.4
202.06345	2.5
203.03366	0.9
203.07158	19.6
204.07597	1.5
205.05074	12.2
211.06178	1.0
212.04794	0.9
215.97870	0.7
217.08800	1.1
221.08231	5.6
227.07161	2.4
229.05090	1.0
229.07234	2.0
230.05908	1.0
231.02937	1.1
245.08200	29.8
246.08517	3.2
247.06100	1.7
247.10866	1.9
271.06155	1.1
272.10486	0.8
289.07172	100.0
289.12936	3.9
290.07486	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	289.0719
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
53.57274	0.5
57.03451	4.0
68.23297	0.5
69.03485	1.1
69.59489	1.0
69.59901	3.3
80.02696	0.9
81.03464	5.0
83.01393	4.0
93.03467	2.2
95.01394	1.0
95.05048	5.0
97.02965	9.9
99.04517	0.6
101.02451	0.5
107.05051	1.0
107.39836	0.5
107.51994	0.5
108.02164	1.2
109.02972	37.4
109.36350	0.5
110.03319	0.9
111.04559	0.6
121.02990	5.5
122.03738	1.9
123.04544	24.2
124.01741	0.6
124.04906	0.6
124.73720	0.6
125.02474	24.4
126.02808	1.2
127.80245	0.6
130.72835	0.5
131.04959	0.7
135.04535	2.9
136.04832	0.5
137.02477	14.2
138.03214	0.8
139.04028	6.4
145.02943	2.3
146.03732	1.9
149.02492	5.5
150.03253	2.1
151.04037	13.6
153.35315	0.5
157.06645	0.5
159.04547	3.5
160.05356	2.9
161.02409	0.9
161.06107	5.9
162.03271	3.1
162.20329	0.6
163.03961	1.8
164.01160	4.2
165.01955	5.3
166.02754	0.8
167.03545	2.2
167.42407	0.5
173.06081	1.2
175.04008	2.4
175.07637	3.8
177.05551	1.1
179.03526	8.5
183.04579	0.6
185.06133	1.2
187.04036	6.8
188.04808	4.6
199.07594	1.5
201.05618	1.6
202.06369	3.0
203.07181	16.6
204.07539	1.5
205.05099	10.1
206.05457	0.7
212.04793	1.2
216.56079	0.6
221.08167	5.9
227.07121	3.3
230.05811	1.5
231.02890	0.7
245.08199	27.8
246.08574	2.7
247.06113	1.8
271.06177	1.8
289.07187	100.0
290.07516	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04008	0.3
59.01390	1.3
67.05532	0.5
69.03459	0.9
71.05031	1.0
71.70866	0.4
71.71249	0.4
72.99321	0.5
84.32895	0.3
89.75449	0.3
102.19273	0.3
119.05065	0.7
139.07675	100.0
140.07985	3.3
147.04546	45.9
148.04897	2.2
165.05612	4.4
287.12796	0.9
287.22391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03450	4.6
59.01374	2.3
62.08635	0.5
69.03446	1.1
71.71481	0.7
75.00878	0.8
76.85695	0.5
80.02679	1.1
81.03459	4.0
83.01392	4.2
83.05030	0.7
85.02950	0.5
93.03465	2.6
95.01383	1.3
95.05038	6.7
97.02966	11.4
99.04549	0.9
105.03439	0.6
107.05010	0.7
108.02193	1.7
109.02970	41.1
110.03317	1.3
111.04543	0.5
121.02962	4.8
122.03749	1.4
123.04542	30.9
124.04887	1.0
125.02463	26.0
126.02776	1.2
131.05104	0.6
135.04555	3.2
137.02460	13.9
138.03227	1.2
139.04045	6.3
142.06612	1.2
143.05090	0.7
145.02937	1.9
146.03706	1.9
147.04527	1.5
149.02467	7.9
149.06157	0.7
150.03207	2.1
151.04028	14.2
152.04398	0.6
157.06607	0.6
159.04498	3.8
160.05367	2.6
161.02438	2.0
161.06091	8.1
162.03308	2.5
163.03999	1.5
164.01178	4.5
165.00087	0.7
165.01939	6.7
166.02621	0.9
167.03535	3.1
173.06091	2.4
174.03197	0.7
175.04073	3.2
175.07613	3.1
176.01161	1.2
177.05579	0.9
179.03516	10.3
184.05348	0.7
185.06152	1.3
186.05589	0.7
187.04028	6.9
188.04820	5.9
199.07628	0.9
201.05638	1.7
202.06375	2.8
203.07144	17.6
204.07416	0.8
205.05069	11.3
206.05374	0.9
208.99152	7.4
209.99471	0.6
212.04761	0.7
217.08586	0.8
221.08183	7.2
227.07170	3.4
230.05867	1.2
231.02898	1.3
245.08174	29.9
246.08511	2.8
247.06076	1.7
247.61127	0.5
271.06097	1.5
289.07175	100.0
290.07535	10.6
294.49625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03437	0.8
59.01386	4.4
61.98811	1.0
71.72103	0.7
81.51804	0.4
89.24779	0.5
128.57523	0.5
163.51703	0.5
208.65784	0.5
221.19106	0.9
223.20682	57.3
224.21045	5.0
241.21739	1.3
267.19653	30.1
268.20001	2.3
285.04245	2.5
285.20709	100.0
285.27048	4.7
286.04276	0.6
286.21066	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	287.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58850	0.4
51.69612	0.4
59.01368	0.6
71.10152	0.9
71.10494	0.6
83.37627	0.4
83.92294	0.5
107.37426	0.4
110.02549	0.6
118.98092	0.5
121.27660	0.4
125.02421	0.5
131.03770	0.7
131.31804	0.5
132.04587	1.2
133.06520	0.4
135.78908	0.5
144.04544	0.6
145.04106	1.1
157.07713	2.4
158.06184	0.7
165.02495	0.4
173.03561	5.4
181.07767	1.1
183.05650	10.8
199.08749	0.8
213.66527	0.6
215.04633	35.7
216.04984	2.3
218.80167	0.4
225.06792	1.0
243.07745	5.6
244.07687	0.5
259.06137	0.6
282.07886	0.5
287.06735	100.0
288.06998	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	287.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.4
59.01381	20.9
59.56543	2.9
61.98838	7.0
69.03449	5.6
69.67519	15.9
69.67938	8.3
71.01379	5.6
85.02958	4.3
101.00944	4.1
101.50198	3.7
111.00918	4.3
111.01996	3.6
112.98851	5.1
114.05739	4.2
115.37845	3.3
117.00488	6.5
125.02469	100.0
126.02859	4.3
130.08765	28.9
131.02057	3.1
139.05141	10.0
140.90640	3.4
143.45618	3.0
167.04694	15.1
172.09818	49.8
174.99338	3.6
187.02945	3.6
227.00587	3.6
285.69397	3.5
287.09082	25.8
288.07666	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1251
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
57.03424	0.7
58.02968	2.0
59.01382	6.2
59.87075	0.6
60.01704	1.0
61.40341	0.7
61.98830	8.6
73.02960	0.9
75.06586	0.7
81.03467	1.0
82.02998	2.8
83.01400	1.6
83.06161	7.2
84.04562	2.4
85.02981	1.7
85.04094	0.9
85.71883	0.6
86.82706	0.7
87.00893	0.7
89.02456	0.9
93.03471	1.0
94.66621	0.6
96.04620	1.0
98.02478	0.6
99.00901	1.1
101.02469	1.6
101.07213	1.8
105.01942	1.2
108.02185	41.8
109.02962	13.9
109.04106	2.7
110.02492	1.5
111.00893	5.5
111.02129	0.7
111.05670	1.4
112.01250	0.7
112.98850	1.4
113.02438	1.0
113.07225	53.9
114.05630	3.1
114.07563	2.1
122.03783	3.0
123.04537	3.0
126.01964	1.8
127.00347	0.8
127.05151	16.6
128.03560	4.6
128.07195	2.9
129.01979	2.0
137.02466	1.3
137.03543	1.6
137.06091	0.6
138.05693	1.2
139.08780	3.7
143.03529	1.0
144.03819	0.6
145.06227	6.6
151.02632	3.1
151.03889	0.6
152.01184	26.9
152.02954	3.6
153.01964	24.6
153.02934	0.5
153.10394	1.5
154.06226	5.3
154.89548	0.6
155.08292	1.3
155.11862	0.7
156.06664	2.1
160.78374	0.7
163.00430	1.0
163.03925	0.7
165.01939	1.0
165.05527	0.8
168.02979	0.8
178.09845	0.9
179.03593	0.6
180.11436	77.9
181.10030	1.5
181.11813	3.5
185.02727	0.7
187.02486	2.8
191.03799	0.7
195.03047	1.3
195.06705	2.2
198.12488	74.1
199.12912	4.0
206.09363	2.6
209.08231	1.0
215.01988	0.9
224.10413	11.7
225.10658	0.9
240.13617	3.6
242.11430	5.3
247.04570	1.2
248.04807	0.6
254.06773	1.6
266.11444	43.4
267.09396	1.2
267.11749	2.7
283.26413	4.2
284.07547	4.3
284.12518	100.0
284.17490	2.5
284.26755	37.8
285.06168	32.4
285.12857	7.2
285.27231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.06129	0.3
59.01365	0.4
68.74789	0.3
70.62280	0.3
70.75072	1.1
81.03474	1.2
85.02932	0.4
93.03482	0.6
108.02188	100.0
109.03013	15.0
110.03292	0.5
121.02961	0.6
123.04527	1.0
133.02974	0.7
135.00923	0.5
135.04561	0.5
137.34174	0.4
151.04013	1.3
152.01173	65.3
153.01964	32.0
153.02921	0.4
153.03287	0.6
154.02321	1.1
163.04039	1.2
165.01990	1.1
177.09587	0.4
206.69287	0.3
225.04016	0.5
236.94455	0.3
284.26819	1.0
285.06158	70.4
286.06491	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	281.1396
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
55.01889	0.2
59.01381	1.6
62.75713	0.2
71.01376	0.3
71.12266	0.4
74.39120	0.2
75.54819	0.1
101.02432	0.2
137.02502	0.3
138.65826	0.2
140.29129	0.2
153.12898	0.7
161.06104	24.5
162.06424	1.4
164.32487	0.2
175.07622	0.2
176.08453	19.6
177.08865	1.5
179.12938	0.4
179.14444	4.1
180.14801	0.3
189.11319	0.2
189.12813	0.8
191.10820	2.5
195.13933	0.2
200.38766	0.2
204.11591	0.2
204.65930	0.2
205.12234	0.3
207.10115	0.2
207.13914	3.3
208.07407	0.7
208.14192	0.2
209.11870	0.4
217.12541	0.2
219.13918	100.0
220.14247	9.3
223.13412	4.9
224.13669	0.2
233.11797	0.7
235.13394	10.0
236.13882	0.9
237.14966	8.7
238.15282	1.0
251.12892	1.8
278.68994	0.2
281.14005	3.1
281.17334	0.3
281.24786	0.3
282.14386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01376	3.4
61.98832	0.6
63.55143	0.2
66.00975	0.5
70.34712	0.8
70.58369	0.2
71.01381	1.5
73.02960	0.2
75.00879	0.5
78.00990	0.2
82.04101	1.2
84.14058	0.2
85.02969	0.4
86.03313	0.2
87.00879	0.2
89.02451	0.5
93.75226	0.2
96.25790	0.2
101.02457	0.9
102.02771	0.2
103.00361	0.5
103.04024	0.4
107.03651	3.4
108.02055	6.2
113.02470	0.4
117.00473	0.2
119.03528	0.2
121.05098	0.3
126.03111	6.1
133.01582	27.0
134.01926	0.6
143.03546	0.3
150.04233	100.0
151.02615	0.4
151.04692	2.4
151.79489	0.2
161.04568	0.5
161.94005	0.2
162.04921	0.2
187.02419	0.2
192.34576	0.2
223.08194	0.4
233.02887	0.2
238.98718	0.2
248.73164	0.2
282.08429	31.9
283.08472	1.9
283.26416	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	283.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.4
71.01371	3.2
75.00883	51.1
89.02454	1.8
101.02470	2.8
103.00390	100.0
104.00763	3.7
159.26007	2.0
266.13354	2.2
292.82913	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	281.1396
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
59.01382	2.5
69.08707	0.2
70.47308	1.0
71.01392	0.6
82.08334	0.3
87.46249	0.2
101.02483	0.3
111.99978	0.3
151.11356	0.3
153.12912	0.5
161.06110	29.2
162.06430	1.5
175.07684	0.6
176.08453	22.4
177.08998	1.4
179.14452	4.5
180.14784	0.5
181.05104	0.3
189.12878	1.8
190.06340	0.3
191.10785	1.6
205.12303	0.7
207.13916	3.4
208.07449	1.0
208.14252	0.3
209.06125	0.6
217.12379	0.4
219.13922	100.0
220.14270	8.0
223.13408	3.8
224.13832	0.4
233.11826	1.4
235.13411	8.7
236.13870	0.4
237.14977	12.7
238.15324	0.9
251.12885	1.7
253.05109	0.4
281.13980	1.9
281.24863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
54.18083	0.5
59.01370	1.8
64.74953	0.5
70.11707	0.5
71.01376	0.5
71.48390	0.6
71.48737	1.1
122.74726	0.5
140.60249	0.6
161.06105	27.6
162.06474	1.2
175.86185	0.6
176.08447	21.6
177.08893	1.1
179.14458	3.8
189.12820	2.1
191.10759	1.8
207.13936	2.1
219.13914	100.0
220.14230	7.3
223.13417	3.6
233.11877	1.2
235.13358	7.0
236.13840	0.9
237.14973	15.7
238.15291	1.3
251.12971	1.0
281.13950	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	281.1395
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
52.67801	0.1
53.72824	0.2
55.01904	0.1
55.46971	0.2
55.95454	0.2
57.45427	0.2
59.01377	1.4
60.36902	0.2
64.77429	0.2
71.01392	0.4
77.70544	0.2
78.07696	0.2
90.59180	0.2
135.04465	0.2
149.06111	0.3
151.11310	0.5
153.12865	0.3
161.06104	27.4
162.06400	1.2
175.07719	0.5
176.08444	20.9
177.08797	1.5
179.14427	3.4
180.14784	0.4
189.12848	1.6
190.13235	0.2
191.10814	1.4
204.11588	0.3
205.12201	0.3
207.13890	2.4
208.07468	0.8
208.14331	0.2
215.10847	0.2
217.12430	0.3
219.13907	100.0
220.14246	7.3
223.13399	3.3
228.40369	0.2
229.37431	0.2
233.11774	1.0
235.13394	7.1
236.13759	0.4
237.14970	12.2
238.15385	1.1
251.12859	1.0
281.13959	5.9
281.24841	0.4
282.14218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.7
59.01381	15.0
60.01723	0.3
66.47297	0.2
66.90759	0.2
70.73453	0.4
70.73812	0.5
71.01392	4.7
72.40941	0.2
72.99306	0.9
73.02953	0.4
83.01413	0.6
89.02464	2.1
89.21135	0.2
91.41804	0.3
93.03461	0.7
96.17303	0.2
98.09054	0.2
101.02460	1.7
105.03443	0.6
106.04234	0.2
107.05054	0.8
108.02197	0.3
109.02960	2.7
111.00858	0.3
113.24399	0.2
117.03497	0.7
121.02985	1.7
121.50347	0.2
122.03790	0.3
123.04521	0.6
131.05035	0.4
131.69159	0.2
132.02213	1.2
133.02977	34.1
134.03801	7.2
135.04544	78.7
136.04869	4.1
137.02467	7.3
138.02811	0.4
139.04041	1.9
145.01445	0.3
147.04559	1.0
148.05324	6.1
149.06104	29.5
150.03210	0.6
150.06447	1.7
151.04063	0.3
159.04521	0.6
161.02463	100.0
162.02798	5.4
163.03993	0.4
174.03278	0.3
175.03970	0.7
177.05592	47.9
178.02744	2.7
178.04126	0.3
178.04404	0.2
178.05925	2.8
179.03513	81.9
180.03859	4.4
189.05591	0.6
193.05055	0.5
203.03528	1.4
207.06601	1.0
221.04559	68.4
222.04877	4.5
251.05646	0.3
281.06662	43.3
281.24857	0.7
282.06995	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	281.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32612	0.2
59.01380	10.8
61.98833	100.0
71.01399	1.6
71.71008	0.4
73.02984	0.3
75.00890	0.2
78.11432	0.2
78.52106	0.3
80.96551	0.4
83.01392	0.2
85.02989	0.4
87.00926	0.3
88.04040	1.3
89.02473	0.7
93.03519	0.3
95.01407	0.3
95.05045	0.3
96.96031	0.4
101.02448	1.3
109.02998	0.6
113.02496	0.6
121.02973	0.4
122.82491	0.3
123.04561	0.3
133.03001	2.0
134.03748	0.7
135.04547	6.6
136.04955	0.3
137.02423	0.7
146.08278	0.8
149.02489	0.4
149.06091	2.5
161.02469	8.5
162.02985	0.4
177.05595	4.0
178.02840	0.3
179.03514	6.0
194.08257	0.3
218.10323	2.3
219.03458	0.3
221.04588	5.4
221.06473	0.3
222.04924	0.5
281.06644	3.3
281.11487	0.3
281.14304	0.4
281.24847	2.2
282.06845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.3
57.73876	0.3
59.01380	100.0
60.01711	1.3
61.98833	6.5
66.85976	0.3
67.38132	0.3
70.18642	1.5
71.01385	2.5
73.01815	0.3
73.02951	0.3
75.00879	0.4
75.39649	0.3
80.96593	0.3
83.01405	0.5
85.02966	0.8
87.00892	0.4
89.02473	0.7
96.96033	0.4
97.02962	0.3
98.20612	0.4
99.00909	0.4
101.02470	2.2
111.38830	0.3
113.02496	0.7
119.03555	0.3
129.34860	0.3
131.03589	0.3
133.02972	1.7
134.03795	0.4
135.04541	4.1
135.22610	0.3
137.02483	0.5
147.04611	0.5
148.05273	0.4
149.06129	1.5
159.03128	0.4
161.02466	4.1
161.04651	1.0
162.02782	0.3
165.09290	0.3
177.05617	2.2
179.03520	4.8
221.04572	3.1
221.06607	0.6
221.10287	3.4
237.07784	0.3
281.06628	2.5
281.11624	0.5
281.25000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03458	0.5
58.00596	0.7
59.01381	18.0
61.98819	0.4
71.01385	4.9
71.71635	0.3
71.72070	0.5
72.99319	0.9
73.02940	0.4
75.00887	0.6
83.01404	0.5
83.05032	0.5
87.00909	0.8
89.02447	1.8
93.03436	0.5
96.96055	0.5
101.02451	2.2
105.03394	0.3
106.04232	0.4
107.05042	1.1
108.02206	0.5
109.02956	3.0
111.00897	0.4
117.03485	1.0
119.05038	0.7
121.02993	1.6
123.04521	0.6
123.08173	0.7
131.05072	0.5
132.02220	1.4
133.02975	35.4
134.03792	9.0
135.04544	79.0
136.04863	3.7
137.02461	7.9
139.04042	2.3
140.04500	0.4
147.04550	1.1
148.05321	7.3
149.02414	0.6
149.06108	30.3
150.03252	0.8
150.06485	1.5
159.04480	0.5
161.02464	100.0
162.02792	4.9
163.03999	0.6
171.11815	0.5
175.04099	0.5
177.05591	47.8
178.02736	2.7
178.05934	3.1
179.03513	84.8
180.03841	3.8
191.03476	0.5
193.05040	0.7
203.03496	1.4
207.06676	0.7
213.37106	0.3
221.04559	71.3
222.04900	4.5
233.04488	0.4
237.14899	0.9
263.05713	0.4
281.06671	41.9
281.24762	1.0
282.07013	3.5
282.14539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
55.01870	0.7
57.03448	1.9
58.40885	0.5
59.01374	3.5
69.44005	4.7
69.44421	1.4
71.01388	2.0
71.05033	0.7
73.02948	2.2
85.02953	1.3
97.06604	1.0
98.19866	1.2
100.01711	0.9
109.06593	0.6
111.04540	0.6
113.06088	0.9
121.06628	1.2
123.08166	1.8
124.01671	1.7
125.06126	0.8
133.02966	1.5
137.02466	0.5
149.06088	1.5
149.09770	1.2
151.04030	1.5
159.04533	0.7
161.06099	2.1
161.09764	1.1
163.11325	2.2
165.05580	1.1
165.11432	0.6
165.12856	1.4
171.08170	1.0
173.06029	3.1
173.09715	0.6
175.07649	1.6
175.11325	1.3
176.02798	0.6
177.05626	1.2
177.09215	0.6
177.12837	1.1
179.14413	8.3
181.05170	0.5
187.07707	1.3
187.11278	0.7
189.09232	7.0
189.12872	2.8
191.07130	0.7
191.10803	11.0
191.14421	5.0
193.12349	4.4
194.12593	0.8
199.11299	2.3
201.09315	1.0
202.09967	7.2
205.08505	0.6
205.12421	1.1
207.13931	7.4
217.12335	83.8
218.12665	5.9
220.11026	4.7
221.11728	1.9
233.11848	4.2
234.09064	0.8
235.13387	100.0
236.13728	7.5
279.12411	4.1
279.23300	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.6
59.01381	18.6
59.95957	0.2
61.98816	0.6
65.61936	0.2
71.00043	0.4
71.00397	0.5
71.01385	4.8
72.99323	0.8
73.02941	0.7
83.01402	0.4
85.02947	0.4
89.02448	2.0
89.02811	0.2
93.03471	0.6
96.96048	0.2
97.64691	0.2
99.73845	0.3
101.02464	2.4
105.03510	0.4
106.04250	0.4
107.05045	0.9
108.02164	0.5
109.02979	2.6
111.00924	0.7
113.02454	0.4
117.01952	0.3
117.03492	0.8
119.05034	0.7
121.02985	1.1
122.03777	0.4
123.04546	0.8
131.05132	0.4
132.02199	1.3
133.02977	33.9
134.02576	0.2
134.03801	7.9
135.04543	81.0
136.04872	4.2
137.02461	7.7
139.04025	2.5
147.04576	0.7
148.05322	7.0
148.06441	0.5
149.02565	0.6
149.06104	30.4
150.03214	0.9
150.06395	1.5
151.04041	0.4
159.04536	0.5
161.02463	100.0
162.02811	5.4
163.04037	1.4
165.05566	0.3
172.10591	0.3
175.04024	0.7
177.05592	47.0
178.02728	3.2
178.05927	3.1
179.03514	83.9
180.03859	4.9
185.59149	0.3
189.05542	0.7
193.05060	1.0
203.03484	1.3
207.06694	0.8
221.04555	65.4
222.04880	5.0
251.05650	0.3
281.06662	43.8
281.13580	1.0
281.24854	1.1
282.07019	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	279.124
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
55.01884	1.0
57.03453	1.6
59.01372	3.2
61.98832	0.4
69.03443	0.5
71.01391	1.2
71.02063	0.6
73.02967	1.5
80.02718	0.5
80.40592	0.5
85.02959	1.5
95.05026	0.5
97.06599	0.7
98.19878	2.2
100.01688	0.8
109.06683	0.7
113.06098	0.7
121.06628	0.9
123.08182	1.2
124.01682	1.1
125.06129	0.8
133.02977	1.1
137.02515	0.7
149.06114	0.7
149.09764	1.1
151.04013	1.2
151.07706	0.9
159.04555	1.1
161.06128	1.3
161.09727	0.8
163.11324	1.7
165.05516	1.1
165.12866	0.6
170.42749	0.6
171.08154	1.0
173.06134	3.1
174.06963	0.8
175.07686	1.5
175.11357	1.4
177.13017	0.6
178.09961	0.8
179.14433	9.0
187.07707	1.7
187.11188	0.9
189.09236	7.4
189.12881	2.3
191.07069	0.8
191.10785	9.8
191.14412	4.1
192.11157	0.9
193.12364	4.6
199.11319	1.7
201.09164	0.9
202.09982	6.2
203.10582	0.8
205.12283	0.8
207.13925	7.4
217.12347	76.1
218.12671	6.1
220.11086	5.6
221.04625	0.7
221.11777	1.6
230.40781	0.7
233.11816	4.6
234.08969	0.9
235.13397	100.0
236.13763	7.7
279.09402	0.8
279.12415	4.1
279.15628	0.8
279.19690	0.6
279.23404	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	279.1087
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01900	1.3
58.00609	4.5
58.00882	0.8
59.01382	100.0
61.22026	0.8
61.37002	0.8
67.78458	0.9
71.01389	57.9
71.05001	0.8
71.58675	1.4
71.59017	1.1
72.99304	4.2
73.02963	1.9
83.01388	2.6
85.02971	11.1
87.00883	2.2
89.02458	73.4
95.01399	3.7
98.44495	0.9
99.04503	1.8
101.02458	36.3
102.02740	1.1
113.02460	23.0
117.05603	7.1
119.03524	34.7
120.03727	0.9
123.04507	2.2
131.03514	2.7
135.04492	1.0
139.04053	0.9
142.28021	1.0
143.03485	4.0
149.02470	2.5
161.04526	1.3
174.29543	1.0
179.05600	3.4
200.16495	0.9
279.10864	53.0
280.08319	1.4
280.11230	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	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01382	1.3
71.03454	1.4
71.61568	0.5
93.38839	0.6
112.46838	0.5
233.22687	0.7
242.52583	0.6
258.48141	0.7
277.21735	100.0
278.22049	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	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03443	0.8
59.01381	2.5
59.34774	0.5
68.76785	0.4
68.99820	1.0
71.01387	2.6
72.99314	1.9
73.02975	0.9
75.00883	0.6
83.01389	2.6
85.02963	2.0
87.00864	0.5
93.03469	17.6
95.01419	0.7
96.00944	0.6
96.96046	0.4
96.99303	1.4
99.00890	1.0
101.01873	0.4
101.02425	2.5
107.05070	0.6
109.03004	3.2
111.00880	0.7
111.04619	0.5
114.02011	0.6
119.05051	1.5
121.02977	19.3
121.06537	0.5
122.03774	1.1
123.04549	18.7
124.82269	0.4
130.04242	0.5
130.08765	0.5
131.05060	1.6
131.81297	0.5
132.02214	3.6
133.01472	0.8
133.02988	14.4
135.04550	7.8
137.02486	2.0
138.05678	2.2
139.04042	47.7
140.04356	1.6
143.04881	0.5
145.02965	1.3
146.03784	1.2
146.06160	0.6
147.04570	5.0
148.05298	0.6
149.02473	100.0
149.06044	2.9
150.03262	9.7
151.04050	12.1
152.04411	0.6
158.03716	0.9
159.04549	4.7
161.02487	3.3
161.06053	0.8
162.03244	3.6
162.06371	0.5
163.04053	6.9
165.01927	1.2
172.09818	0.5
173.06090	0.8
174.03273	1.3
175.04024	4.1
176.01170	0.5
176.04762	1.3
177.01979	1.3
177.05600	13.3
178.05936	0.6
179.03525	2.0
187.04068	2.3
189.05583	2.0
190.02888	0.4
191.03476	2.4
193.04965	0.6
195.02917	2.6
203.03520	1.3
205.05070	4.8
219.03008	4.0
221.04591	1.3
234.05515	0.7
235.06110	2.6
249.03952	0.7
249.07622	0.5
261.08917	0.5
264.06396	0.7
279.05121	25.6
279.23230	1.7
280.05399	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.04823	0.3
59.01382	6.0
60.01694	0.3
61.98819	0.2
66.63661	0.2
69.38990	2.8
69.39400	0.4
71.01376	0.8
72.13169	0.2
79.01888	0.6
98.20567	0.6
124.01685	0.4
125.06155	0.5
127.07700	0.3
134.03691	0.3
137.30385	0.3
150.39812	0.3
151.00378	1.0
152.86099	0.3
153.45789	0.2
165.05508	0.4
180.07861	0.5
205.15968	1.1
208.07411	1.0
212.06931	1.1
233.19029	0.4
233.22687	0.5
235.13307	0.6
275.20200	0.3
277.14536	4.4
277.18250	8.0
277.21704	100.0
278.14957	0.6
278.18451	0.9
278.22043	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	277.0931
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
55.01888	7.2
57.03453	5.5
58.00595	2.0
59.01379	37.2
69.75399	6.9
71.01390	100.0
71.05024	4.3
72.01714	2.0
72.99316	1.6
73.02955	29.4
74.03310	1.1
83.01398	11.8
85.02962	44.7
87.00898	3.4
89.02464	10.8
95.01421	6.5
96.96986	1.5
97.02968	2.5
99.00886	11.5
101.02460	54.1
101.99535	1.2
102.02810	2.5
113.02470	41.5
115.04033	45.1
119.03509	3.8
125.02467	1.2
128.79050	1.1
129.01984	1.7
143.03519	3.1
159.03049	7.1
161.04579	32.0
161.05865	1.9
233.10329	9.2
234.10555	1.3
277.09274	21.6
277.21875	1.8
278.09634	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1228
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02974	3.9
59.01375	0.5
66.35213	0.2
69.90690	1.1
70.02986	12.3
71.01384	0.7
71.03304	0.4
71.05026	22.1
72.00909	1.0
72.05370	0.3
72.99314	0.4
76.02277	0.2
87.05648	7.8
97.04096	0.5
98.06141	0.3
98.19965	0.3
99.04537	7.4
100.37502	0.2
114.05620	0.2
115.05167	2.1
116.07197	4.1
118.03033	0.2
129.05603	1.8
130.03346	10.8
130.06630	0.5
131.03716	0.4
144.04581	0.4
146.08253	100.0
147.05998	6.1
147.08604	3.4
148.06358	0.2
174.05630	1.0
190.05171	0.5
217.11940	24.7
218.04501	0.4
218.12253	1.4
243.13460	0.9
277.12268	51.9
278.12549	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	276.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	0.8
59.01381	10.1
69.79897	2.9
71.01385	5.3
71.05029	0.5
72.99306	3.8
73.02951	1.4
74.02494	0.4
83.01406	0.7
85.02949	2.5
89.02448	1.2
99.00913	0.8
99.05650	0.6
101.02444	3.1
113.02445	2.5
115.04007	1.6
119.05042	6.2
120.05366	3.7
124.58349	0.4
125.02496	0.4
128.07191	100.0
129.07552	2.6
130.06656	0.7
133.06943	1.6
143.04642	2.9
144.04550	0.4
146.08269	2.0
147.04539	54.4
148.04929	2.2
148.71098	0.4
161.02533	0.8
161.04575	1.8
165.05583	47.8
166.05919	2.4
170.50989	0.4
208.07399	0.9
217.11841	0.7
219.87743	0.4
225.22491	0.4
276.12418	3.1
276.15543	1.4
277.09192	1.0
277.11819	2.3
277.14606	1.3
277.21832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0926
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
54.98075	0.2
59.01392	0.3
63.17937	0.2
63.63205	0.3
64.83999	0.3
68.51718	0.3
69.03456	0.4
69.70016	1.2
69.70446	0.9
73.23656	0.3
76.67762	0.3
78.51437	0.3
85.02943	0.5
92.39261	0.3
109.03008	0.4
119.04942	0.3
130.04257	0.9
133.02904	0.4
134.03754	0.9
135.04529	0.4
137.02481	0.3
146.03734	1.1
151.07651	0.7
158.03761	3.6
159.04550	4.3
159.08141	1.1
169.03981	0.3
172.05327	10.6
173.06091	7.4
174.06712	0.6
175.07587	0.4
183.04517	0.6
184.05453	0.5
187.04195	4.4
187.07657	100.0
188.04684	0.3
188.07996	5.5
197.06032	0.5
201.05591	9.5
202.06357	17.6
203.06779	1.2
203.10764	0.8
204.04288	2.1
213.09232	2.8
215.07185	0.5
216.07950	1.0
231.10257	24.3
232.10573	2.0
275.09290	5.1
275.18564	0.4
276.09332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39084	0.2
59.01382	1.7
59.41610	0.2
61.23528	0.2
61.49880	0.2
69.76790	1.0
72.99319	0.2
80.37330	0.2
85.54942	0.2
93.03474	0.3
110.94458	0.2
116.05143	0.2
119.05048	100.0
120.05386	3.8
125.09763	0.2
127.05154	0.3
128.07199	4.0
129.05627	0.2
132.05794	0.3
133.02995	0.2
138.06763	0.4
144.04594	0.4
145.03027	0.4
146.02457	0.4
147.04553	2.0
160.04117	0.4
162.05606	0.4
162.71872	0.2
165.05580	1.8
171.10275	0.5
191.11896	0.8
203.08321	0.3
215.09300	0.9
225.18704	0.2
233.10582	0.4
233.12932	10.9
234.13260	1.1
258.12415	0.8
275.15137	22.4
276.12607	0.3
276.15427	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	274.0933
Annotation	Cardiospermin
Peak:m/z	Relative Intensity
55.01881	3.8
57.03457	1.5
59.01384	7.9
69.95773	4.9
69.96186	5.6
70.02980	1.6
72.00917	6.9
72.04562	2.5
73.02934	2.9
74.02068	3.7
74.02484	67.0
74.06570	1.7
81.02188	3.2
82.02988	23.3
83.01387	15.5
84.00913	22.7
86.06116	10.1
86.08833	1.9
93.86077	1.5
94.03001	3.4
96.04563	80.2
97.04874	1.8
98.02499	15.9
99.00864	3.5
101.02443	8.3
101.04303	2.0
110.02499	9.5
112.04064	35.2
113.09645	2.0
114.05621	7.7
119.05048	26.0
127.00413	9.6
129.05573	2.0
138.09247	3.5
140.03561	35.8
140.10822	14.3
142.06676	3.8
145.01477	9.3
146.08260	16.9
150.09291	3.8
156.03050	100.0
157.03372	4.3
158.04625	10.0
166.08719	16.5
168.10324	23.7
184.02505	25.1
184.09845	6.4
202.03514	3.9
212.09297	48.9
213.09671	4.2
228.08784	36.9
233.12982	4.3
238.07153	4.1
256.08267	88.0
257.08478	5.3
274.09341	59.3
275.09647	3.5
275.15244	5.1
284.01944	1.7
286.56955	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	272.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95303	0.5
55.01868	1.4
55.53316	0.6
59.01384	4.5
61.98817	1.8
62.86044	0.6
66.03490	41.9
67.03815	1.0
69.69744	4.1
69.70150	1.0
71.01377	1.6
73.02982	0.8
75.00875	3.9
82.97155	0.5
83.05029	0.8
85.02960	1.6
87.00868	1.0
91.36190	0.7
93.69561	0.6
94.02995	0.6
95.01388	0.5
96.04554	0.8
98.02508	0.5
98.19964	1.3
99.00914	1.3
101.02406	0.9
109.03078	0.6
110.02490	100.0
111.02158	0.8
111.02846	2.5
111.04450	0.5
112.39612	0.6
112.98803	0.9
113.02489	1.5
115.00370	2.6
116.92879	1.2
117.01930	1.0
122.02531	1.3
123.04465	0.7
124.04072	8.2
127.03949	0.7
129.01942	1.5
130.08743	0.9
138.91199	0.7
143.01700	0.7
152.03487	3.3
158.08249	4.6
174.01711	2.6
175.02075	2.6
199.25554	0.6
219.01401	1.0
257.07910	1.0
272.16516	1.4
273.03900	1.2
292.00690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.077
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.14102	0.2
50.94231	0.2
57.03452	2.4
59.01376	1.2
63.02388	0.5
65.00330	2.7
67.01895	0.3
68.99812	0.5
69.03454	0.2
71.71506	0.2
79.05544	0.3
79.95717	0.2
81.03465	26.7
82.03785	0.6
83.01391	8.1
85.22464	0.2
93.03473	9.9
94.03812	0.4
95.01400	0.9
95.05032	1.1
99.04543	0.7
107.01400	2.8
108.22279	0.2
111.04536	0.5
119.05046	20.8
120.05376	1.1
121.02961	0.2
122.03744	0.4
123.04543	47.3
124.01656	0.3
124.04870	1.7
125.02460	13.4
126.02791	0.5
135.04536	1.6
137.02496	0.4
142.06635	0.2
143.05109	0.4
145.02908	0.3
145.06635	0.4
147.04556	0.6
147.77827	0.2
149.02463	0.9
151.00401	5.3
160.01660	0.4
161.06087	0.2
163.07649	0.5
166.02725	0.5
167.03522	100.0
168.03857	4.6
168.57707	0.2
169.06627	0.5
171.04559	0.6
175.03972	0.5
179.03529	8.9
179.05121	0.5
180.03883	0.3
185.06125	0.3
187.07629	1.0
189.05592	3.7
190.06003	0.3
211.07646	0.6
212.58040	0.2
229.08765	1.9
230.08858	0.2
249.33543	0.2
255.04074	0.3
255.06516	1.2
258.62173	0.2
259.15521	0.2
273.07678	72.1
274.07990	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.2
70.86543	2.7
71.01390	2.5
72.99305	1.2
77.75313	0.8
82.81631	0.8
83.01395	2.5
84.59579	0.8
87.00901	1.0
99.00871	2.3
109.06609	2.5
111.00887	0.9
111.08187	0.8
111.10809	0.9
112.98845	5.8
128.03523	1.1
142.99887	3.1
143.04657	2.0
146.44167	1.0
153.05579	4.0
167.07141	1.9
173.00946	1.6
174.01717	100.0
175.02043	4.4
193.05037	1.7
259.26895	0.9
271.08212	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
57.68097	0.8
59.01379	5.7
60.65202	0.8
61.98832	1.3
63.02388	2.5
65.00329	6.3
65.22633	0.8
69.03447	1.1
71.01376	5.5
71.43487	1.9
72.99317	6.5
73.02938	0.7
75.00893	0.9
80.02676	0.9
80.15981	0.8
82.99876	0.8
83.01391	7.5
87.00909	1.3
89.02472	1.7
93.03456	5.8
97.06587	3.0
97.65540	0.8
99.00890	5.4
107.01406	10.5
107.05048	2.5
108.02211	1.7
109.02961	1.0
109.06602	6.8
111.08182	1.3
112.98817	8.2
115.00373	2.6
117.01945	3.6
119.05048	29.8
120.05347	1.3
121.06629	1.8
123.08238	0.8
124.98798	1.0
125.02478	1.1
125.06105	5.4
127.07631	2.5
135.03003	2.6
137.06059	3.7
139.07661	1.4
142.99869	10.6
145.12399	0.9
149.06097	1.4
151.00394	26.3
152.00591	1.3
153.05591	11.0
155.07153	1.6
155.65150	0.9
165.01880	1.2
165.05646	1.2
167.07161	2.7
169.01443	1.2
173.01042	4.0
173.02361	0.8
174.01715	100.0
175.02124	4.8
177.01884	5.0
179.07164	0.9
183.13713	0.9
185.06157	1.1
187.03996	1.3
193.05077	6.8
211.06071	1.6
227.07158	1.1
241.05022	2.7
256.07233	2.0
271.03006	1.9
271.06082	39.4
271.08762	1.9
271.15570	1.2
271.22714	1.6
272.06451	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	271.0612
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
50.06242	0.3
51.32651	0.3
51.81555	0.3
57.93393	0.3
58.11789	0.3
59.01374	1.5
59.27379	0.3
60.99305	1.1
61.08565	0.3
61.98830	0.4
64.20601	0.3
69.03412	0.3
69.42518	3.4
83.05069	0.4
93.03524	0.4
109.02950	0.5
119.05038	0.8
137.53873	0.3
151.00423	0.7
153.05524	0.4
174.01720	1.1
181.06590	7.8
182.06917	0.6
185.15489	1.1
199.07726	0.5
209.06093	35.3
210.06433	2.0
224.40826	0.3
225.05553	0.7
227.07146	100.0
228.07504	6.9
241.05017	0.5
242.08336	0.4
253.05069	7.9
254.05344	0.6
256.03787	0.3
271.06100	37.6
271.08292	1.5
271.22723	1.0
272.06531	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
59.01387	5.9
65.10179	0.8
65.10519	0.9
71.01383	5.8
71.71800	1.4
72.99306	5.0
73.02944	1.0
80.02695	1.3
83.01403	3.1
83.05040	0.8
85.02969	1.8
87.00890	1.2
89.02470	1.5
93.03486	0.8
95.05001	1.0
96.65648	1.0
97.03043	0.9
97.06613	5.8
99.00896	7.1
108.02181	2.1
109.06604	4.9
111.00909	2.4
111.08183	1.0
112.98825	9.2
115.00395	2.2
117.01962	3.5
119.05042	1.7
121.06648	2.2
123.04482	0.8
123.08215	1.0
124.98847	3.3
125.06119	7.3
127.07712	2.9
137.06158	6.1
139.07671	4.0
142.99890	37.4
144.00217	0.9
149.06091	3.1
151.00439	1.1
153.05591	10.7
155.07144	2.0
165.05554	1.5
167.07153	3.6
173.00972	4.6
174.01723	100.0
175.02023	4.1
179.07182	1.1
193.05106	9.1
211.06076	2.2
271.02499	4.3
271.05789	1.4
271.08450	1.6
271.16064	1.0
271.22839	2.0
272.12271	1.0
272.23459	0.9
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	formycin b
Peak:m/z	Relative Intensity
53.24253	0.3
55.01879	1.0
57.03216	0.3
57.03454	3.5
58.00597	0.8
59.01383	20.3
60.01726	0.4
68.51646	0.4
69.03481	0.5
70.46873	0.3
70.85688	1.0
71.01391	27.8
72.99313	3.4
73.02953	1.0
75.00882	11.6
75.01212	0.2
76.20943	0.3
77.60990	0.3
83.01382	1.1
84.02221	0.5
85.02962	27.4
86.03320	0.7
87.00887	12.0
87.01433	0.6
89.02455	8.9
91.04003	0.7
93.01369	0.3
95.01404	4.6
99.00898	7.3
101.02483	1.9
103.00384	2.5
105.01994	0.6
111.00899	0.4
112.01678	0.7
113.02470	35.2
114.02806	1.0
115.00387	1.4
117.01982	2.4
119.03504	0.4
122.82761	0.3
129.01973	1.7
131.03532	1.0
149.04562	0.6
155.13803	0.3
157.01405	0.6
169.01788	1.3
175.02527	2.2
205.07191	0.5
207.05055	1.4
212.73679	0.3
215.37740	0.3
222.99289	0.5
249.06165	3.7
265.19281	0.3
267.07205	100.0
268.07547	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	268.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
60.01722	0.4
61.98833	100.0
71.01398	1.2
71.05299	0.3
71.06703	0.3
71.70866	0.4
72.01695	0.3
85.02969	0.4
87.00943	0.3
89.02464	0.8
113.02444	0.4
124.04154	0.3
130.08766	0.4
142.99893	0.5
173.00851	0.3
204.76260	0.3
236.00569	0.4
268.07690	1.1
268.11304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
58.00600	4.0
59.01377	100.0
60.01718	0.9
61.98830	2.3
66.18862	0.6
69.96411	3.4
69.96817	1.4
71.01384	59.5
72.99316	5.9
73.02946	4.4
74.02480	0.7
75.00881	3.1
80.61279	0.6
80.96537	0.8
83.01397	3.3
85.02958	54.8
86.03286	1.3
87.00867	4.3
87.04483	0.8
89.02451	70.2
90.02817	1.2
95.01381	5.2
98.20618	1.1
99.00925	1.0
101.02452	32.4
102.02830	0.7
103.04008	3.7
104.89281	0.7
105.01948	1.0
111.00878	1.1
111.02023	0.8
113.02464	23.1
113.43089	0.8
117.05599	2.5
119.03512	30.6
120.03859	0.8
125.02554	1.0
129.01955	1.4
130.95044	0.7
131.03505	3.6
134.04744	2.3
143.03502	4.9
149.02504	1.2
149.04556	1.7
161.04549	5.0
163.04044	1.3
164.04803	1.8
165.06711	2.8
178.06403	0.9
179.03761	1.5
179.05611	9.3
179.07161	2.5
206.90907	0.8
209.08266	1.2
221.09302	2.5
265.03491	0.9
265.09256	25.3
265.11359	1.2
265.14484	1.6
266.09445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
57.03443	3.8
58.00580	1.0
59.01377	24.3
62.07528	0.7
68.99834	0.8
71.01386	32.8
71.12298	1.3
72.99319	3.3
75.00878	13.5
83.01394	1.0
85.02959	29.5
87.00877	13.6
89.02454	10.4
93.68964	0.7
95.01401	5.4
99.00906	7.3
101.02444	1.9
103.00392	2.2
105.01917	0.7
113.02464	41.6
115.00404	1.5
117.01967	3.1
119.03461	0.6
129.01964	2.1
131.03531	1.5
139.65234	0.7
153.83913	0.8
169.01711	1.1
175.02446	1.9
191.99095	0.7
192.83604	0.7
207.05087	1.6
244.05211	0.7
249.06110	5.4
267.07196	100.0
268.07504	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34160	0.5
55.01884	0.8
55.57166	0.6
55.69965	0.6
57.03442	3.3
58.00592	1.8
59.01379	41.8
61.98825	1.6
71.01385	22.3
71.70230	0.7
72.99306	2.4
73.02947	3.6
75.00871	1.5
80.96555	0.6
83.01394	1.9
85.02956	21.4
86.03337	0.6
87.00896	2.2
87.04520	1.4
89.02449	19.8
95.01398	1.2
96.10985	0.5
97.02976	0.7
98.85424	0.6
99.00893	0.9
99.04514	1.1
101.01431	0.6
101.02459	15.3
102.02767	0.6
103.04025	34.4
104.04380	0.7
108.04530	0.6
113.02457	9.2
115.04028	0.7
116.03459	0.6
117.05593	1.7
119.03520	7.4
129.01965	1.3
131.03510	1.2
133.04988	0.7
134.04721	0.8
138.05618	1.3
143.03461	1.3
145.05077	2.5
158.58623	0.6
161.04573	1.0
165.06743	4.1
167.01900	0.6
175.06229	0.6
179.05627	1.6
179.07034	0.6
216.94278	0.6
265.09274	100.0
266.09552	5.1
275.73563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34160	0.5
55.01884	0.8
55.57166	0.6
55.69965	0.6
57.03442	3.3
58.00592	1.8
59.01379	41.8
61.98825	1.6
71.01385	22.3
71.70230	0.7
72.99306	2.4
73.02947	3.6
75.00871	1.5
80.96555	0.6
83.01394	1.9
85.02956	21.4
86.03337	0.6
87.00896	2.2
87.04520	1.4
89.02449	19.8
95.01398	1.2
96.10985	0.5
97.02976	0.7
98.85424	0.6
99.00893	0.9
99.04514	1.1
101.01431	0.6
101.02459	15.3
102.02767	0.6
103.04025	34.4
104.04380	0.7
108.04530	0.6
113.02457	9.2
115.04028	0.7
116.03459	0.6
117.05593	1.7
119.03520	7.4
129.01965	1.3
131.03510	1.2
133.04988	0.7
134.04721	0.8
138.05618	1.3
143.03461	1.3
145.05077	2.5
158.58623	0.6
161.04573	1.0
165.06743	4.1
167.01900	0.6
175.06229	0.6
179.05627	1.6
179.07034	0.6
216.94278	0.6
265.09274	100.0
266.09552	5.1
275.73563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
59.01381	12.2
71.01395	7.7
71.05013	1.9
79.01916	1.2
79.05547	1.4
83.05032	3.7
95.05038	2.6
97.02967	10.4
97.06597	2.4
98.19872	4.0
105.07095	2.8
107.05035	3.5
108.05830	7.8
109.02978	7.5
109.06644	5.3
111.04536	15.1
111.08160	2.4
113.02430	1.6
113.06118	10.1
119.08643	5.1
121.06614	3.9
122.03761	15.3
123.04563	1.4
123.08157	8.5
124.05366	1.6
125.06102	17.8
135.08151	2.0
136.05327	21.0
137.06134	6.8
138.06882	22.7
139.07672	40.1
140.08008	1.5
148.05280	8.7
149.06113	5.4
151.00497	1.8
151.07669	81.3
152.04802	8.6
152.08463	49.0
153.09224	14.9
159.06555	1.7
159.11807	4.5
161.09763	7.6
163.07675	16.4
164.08356	1.1
166.06358	3.0
167.07162	4.4
170.05949	2.1
173.13426	1.1
175.11316	1.4
177.09271	1.5
181.45625	1.2
183.11928	1.3
185.09659	2.4
186.10536	3.0
188.08409	2.6
189.09222	6.4
191.14435	1.7
194.05847	3.4
198.05365	2.5
201.12865	32.4
202.13232	2.8
203.10791	25.4
204.11551	68.5
205.11874	5.0
211.39600	1.0
217.79007	1.1
219.13902	100.0
220.14261	8.2
230.19106	1.3
240.93990	1.2
248.10448	1.8
263.12900	23.1
264.13196	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01377	4.2
61.98846	0.5
62.75119	0.4
69.91876	0.9
69.92288	2.0
71.01386	0.7
79.01901	1.1
83.05056	0.7
98.20625	0.5
111.04523	0.6
114.09061	0.5
151.00412	2.5
159.06343	0.5
166.06346	1.2
194.05811	3.6
195.47134	0.5
198.05272	2.4
219.21169	0.7
229.00394	0.4
239.32347	0.5
245.19189	1.0
261.18674	0.8
263.02328	0.5
263.12863	8.5
263.20145	100.0
264.12918	0.8
264.20471	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	264.9842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
67.01887	0.4
69.50103	2.6
70.58654	0.3
71.01392	1.0
72.99315	0.6
74.99390	0.3
81.01975	0.4
82.52696	0.3
82.99921	0.9
85.02955	0.6
85.18735	0.3
87.00903	0.8
89.02469	0.3
90.25500	0.3
95.01417	0.9
96.96016	0.4
101.02469	0.6
103.00343	0.4
106.99917	0.9
112.98849	1.2
113.02450	0.4
117.00484	1.5
125.00975	7.5
126.01080	0.6
131.03574	0.6
139.02525	1.0
141.00523	0.6
149.00958	11.8
150.01123	0.9
153.00468	2.6
161.04602	0.7
162.95601	0.8
167.02028	100.0
168.02177	8.9
177.00400	0.8
178.98396	0.7
192.99979	1.8
193.03568	0.5
195.01418	1.6
220.99431	43.2
221.99606	6.1
222.97397	1.2
239.00517	3.6
240.00731	0.5
264.98404	43.3
265.98553	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	262.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.9
65.55177	0.6
71.01388	1.0
71.48060	1.3
72.99302	1.4
115.05563	4.2
116.05092	2.8
117.17516	0.5
123.23920	0.6
128.05067	9.0
129.89439	0.5
130.06648	15.1
131.03757	1.3
131.06934	0.6
132.04567	3.2
144.04567	12.8
145.04988	1.2
146.06122	6.1
157.05348	2.5
158.06133	100.0
159.06471	5.8
170.07680	0.5
172.04076	2.0
174.05614	23.7
175.05978	1.6
194.05894	1.0
197.44299	0.5
200.07202	1.2
202.05104	44.8
203.05511	3.6
220.06149	17.1
221.06491	1.3
262.07254	2.6
263.12863	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	263.1287
Annotation	Parthemollin
Peak:m/z	Relative Intensity
51.86006	0.5
52.32396	0.6
53.81570	0.6
59.01380	7.7
59.08562	0.5
61.98823	0.7
71.01424	0.7
71.71186	1.1
73.02959	0.7
79.01912	3.0
85.06596	2.2
87.04521	5.6
95.01329	0.6
99.08163	1.8
101.51615	0.6
107.05030	1.3
109.91298	0.7
111.04536	1.3
113.02457	0.9
121.06628	0.9
125.09753	0.8
133.06613	6.6
135.04558	0.7
147.08174	20.4
148.08485	1.0
149.09738	26.9
150.10043	1.3
151.00374	5.1
151.04002	1.5
151.11328	0.7
158.07353	3.9
165.05559	0.9
166.06349	4.8
169.92139	0.7
175.07663	17.4
176.08035	1.2
177.09125	0.9
184.49649	0.6
193.08711	39.2
194.05847	8.9
194.08891	3.0
195.06230	0.8
198.05371	6.4
201.12883	3.5
203.05528	0.9
203.10681	1.0
209.59764	0.6
213.83296	0.7
217.12364	1.2
219.13896	18.0
219.17241	0.8
220.14229	1.3
245.12070	0.7
263.12869	100.0
264.13220	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	263.1288
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
56.67270	0.2
59.01380	2.4
61.98821	0.2
68.83931	0.2
69.46959	1.3
69.47387	0.8
71.01383	0.2
87.00881	0.2
98.20599	0.5
101.02482	0.4
121.02955	0.3
124.01717	0.2
133.06584	0.3
151.00439	0.4
159.04414	0.2
161.06065	0.4
166.06404	0.4
175.04102	0.5
175.05914	0.2
177.05623	1.4
187.04005	0.8
192.04179	0.4
194.05870	1.0
196.03828	0.3
198.05275	0.7
203.05547	0.3
204.04248	0.8
204.06038	0.3
205.05081	38.2
206.05424	2.2
218.05861	0.3
219.06639	9.2
220.07420	100.0
221.07777	7.4
228.22589	0.2
234.05412	0.2
235.06041	0.6
242.43283	0.2
263.12878	41.1
264.13254	3.8
278.44324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.088
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
50.81473	0.4
51.38735	0.4
58.02990	0.5
59.01381	8.7
70.02985	10.5
71.20183	0.8
72.04556	4.6
74.02481	100.0
75.02813	1.0
84.04565	1.4
98.02492	25.5
99.02835	0.8
116.03559	57.7
117.03899	0.9
128.03563	6.5
130.06645	0.6
131.03795	0.4
132.04578	33.0
133.04936	1.5
143.10812	0.4
144.04579	6.5
158.06129	7.2
173.07211	0.9
174.05617	1.7
175.08794	1.4
199.08855	0.5
201.06714	13.1
201.11304	1.0
202.05142	3.2
202.06850	0.9
209.56055	0.4
217.09839	1.3
219.07803	3.8
219.12399	6.2
243.07817	1.0
261.08804	33.7
261.13416	1.5
262.09177	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	262.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67179	0.8
54.17500	0.8
54.83907	0.8
55.01881	0.8
57.03445	4.8
59.01389	1.8
69.03468	6.8
69.85915	2.8
69.86330	2.2
70.02985	3.0
71.01404	4.9
72.00917	1.6
73.02966	1.1
75.00858	1.4
82.02985	2.1
84.04544	0.8
85.02962	80.9
86.02509	1.0
86.03320	1.2
86.06136	1.0
87.00893	1.0
87.04530	6.6
91.57470	0.8
94.03005	2.1
94.52142	0.7
96.00880	1.0
96.04569	100.0
97.02975	13.8
97.04898	3.0
98.02501	1.9
99.00898	6.3
99.04555	1.1
109.02984	1.2
110.02488	0.9
111.00927	1.2
111.04543	3.0
112.04068	3.4
114.05624	2.5
115.04029	5.6
116.03561	0.9
122.02494	1.2
126.05648	2.3
128.03539	9.0
129.01964	19.2
130.02263	0.9
130.89876	0.8
135.03073	1.4
138.05685	1.1
139.04048	1.6
140.03546	7.3
141.01953	6.4
142.01500	8.8
144.03032	3.0
157.05113	1.0
158.04617	23.8
159.03023	2.2
165.04103	1.9
172.02565	5.6
182.04645	1.0
183.02950	0.7
184.02570	1.0
200.05737	5.4
201.04088	2.8
202.03578	3.9
219.05136	4.4
244.04805	0.8
262.05682	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	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57103	0.5
59.01385	20.0
59.63595	0.6
60.03677	0.5
81.12994	0.5
86.52948	0.6
87.22887	0.5
97.53644	0.5
111.70338	0.5
122.25663	0.5
127.11353	1.0
137.09734	8.0
138.10074	0.7
144.04578	1.2
148.57306	0.6
153.09290	0.7
155.10800	100.0
156.04601	4.8
156.11122	4.9
171.10287	21.6
172.10637	1.3
181.08693	1.8
188.07217	0.7
199.09779	39.2
200.10123	2.9
215.12921	0.6
216.06671	0.6
217.10815	91.8
218.11130	5.8
259.11847	21.4
259.14624	1.2
260.12024	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	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.3
59.14048	0.4
70.72916	1.0
70.73306	1.0
71.05013	0.6
80.02666	1.0
81.03463	1.8
83.05029	6.0
84.02174	2.5
95.05035	0.9
96.82122	0.5
125.06085	0.9
127.07340	0.4
135.08093	0.5
156.04559	0.8
163.11281	4.8
165.12846	2.5
181.12375	0.8
191.10782	1.6
193.63330	0.5
198.83231	0.4
200.05263	0.4
209.11836	100.0
210.12152	8.4
220.06282	0.4
227.12894	11.1
228.13322	0.9
232.98940	0.5
259.09628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	1.5
59.01367	2.8
65.40403	0.9
70.47862	3.1
71.36624	0.9
72.00887	1.3
74.02476	90.8
75.02811	1.2
75.69222	0.8
81.02199	0.9
83.05049	1.2
85.02982	1.1
85.04037	0.9
90.00192	1.3
94.06660	1.0
97.04063	3.8
99.05645	1.7
107.04991	0.9
109.04087	7.7
110.09771	21.9
111.05654	24.5
119.05031	1.8
122.09763	7.7
124.36673	1.0
125.27127	1.0
136.07686	2.1
137.07262	1.2
138.04372	2.8
143.04630	1.1
150.09276	4.4
151.12402	2.0
154.08659	1.2
164.09520	3.6
167.11906	2.9
169.06595	2.9
179.11914	100.0
180.12332	7.2
211.10881	31.5
212.11276	2.5
215.12906	1.7
223.10878	67.4
224.11214	5.1
229.36786	1.0
239.12967	1.3
242.02266	2.2
257.04642	2.4
257.09619	12.8
257.12234	4.9
257.14178	1.9
257.23938	5.1
258.10092	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	259.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.0
59.01385	14.4
60.99276	4.0
67.01895	3.7
68.99824	4.7
69.42834	22.5
69.43261	16.9
71.01379	39.1
73.02966	5.3
77.07477	3.9
78.91890	27.7
78.95921	6.3
82.02986	7.2
83.01389	12.1
83.05036	5.1
83.57619	3.1
85.02962	15.5
87.00896	18.0
87.62710	3.0
88.98817	10.3
96.96983	5.2
97.02943	4.0
97.80540	3.5
99.00896	67.6
101.02475	6.2
101.20071	4.0
102.05637	6.6
111.00903	40.8
111.04556	4.7
112.98829	100.0
115.00375	8.7
121.31934	3.8
128.03564	6.4
129.01944	29.5
130.85014	3.5
139.71654	3.5
145.01483	8.8
146.04677	4.9
155.03500	5.2
159.02943	5.6
172.99519	5.5
173.00931	30.5
191.01953	8.5
199.09698	8.0
205.03580	9.1
217.10753	12.5
241.01100	5.3
241.45782	4.2
242.62228	3.8
259.04611	4.6
259.12689	4.3
260.07861	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	259.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.0
59.01385	14.4
60.99276	4.0
67.01895	3.7
68.99824	4.7
69.42834	22.5
69.43261	16.9
71.01379	39.1
73.02966	5.3
77.07477	3.9
78.91890	27.7
78.95921	6.3
82.02986	7.2
83.01389	12.1
83.05036	5.1
83.57619	3.1
85.02962	15.5
87.00896	18.0
87.62710	3.0
88.98817	10.3
96.96983	5.2
97.02943	4.0
97.80540	3.5
99.00896	67.6
101.02475	6.2
101.20071	4.0
102.05637	6.6
111.00903	40.8
111.04556	4.7
112.98829	100.0
115.00375	8.7
121.31934	3.8
128.03564	6.4
129.01944	29.5
130.85014	3.5
139.71654	3.5
145.01483	8.8
146.04677	4.9
155.03500	5.2
159.02943	5.6
172.99519	5.5
173.00931	30.5
191.01953	8.5
199.09698	8.0
205.03580	9.1
217.10753	12.5
241.01100	5.3
241.45782	4.2
242.62228	3.8
259.04611	4.6
259.12689	4.3
260.07861	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	257.082
Annotation	Yangonin
Peak:m/z	Relative Intensity
59.01381	0.2
66.17540	0.1
69.70587	0.1
69.71041	0.1
83.21518	0.1
98.20724	0.2
98.48519	0.1
124.87521	0.1
168.86800	0.1
170.07358	0.3
173.06102	0.3
175.04114	0.2
184.43658	0.1
185.06163	0.2
185.09737	2.6
186.06889	1.3
186.10010	0.2
187.04005	0.3
187.07672	1.6
188.04860	1.2
196.05377	0.3
199.03949	0.3
200.04810	0.9
211.07654	2.1
212.07988	0.1
213.05545	1.1
214.06377	3.5
215.07001	0.5
224.04767	0.9
225.05244	0.2
227.03526	6.2
228.03853	0.5
229.08716	10.9
230.09062	1.0
230.29799	0.1
239.07159	7.7
240.07416	0.6
241.02554	0.2
241.05081	6.0
242.05856	21.3
243.06198	1.7
256.23767	0.6
257.08197	100.0
257.23889	0.4
258.08521	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	256.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93392	0.8
55.01868	2.3
55.98286	0.8
68.05051	1.7
70.06638	0.9
70.14561	0.8
71.11490	1.4
71.11839	1.7
72.04558	9.3
77.10738	0.8
81.02207	0.9
82.02991	12.7
83.01403	5.1
84.00926	1.9
84.04520	0.8
95.01486	0.8
96.32476	0.9
98.02471	2.7
98.06145	1.1
99.08179	3.2
100.04055	6.9
111.03248	3.1
111.04498	4.0
111.08188	1.2
112.04090	0.8
113.06184	0.9
121.06616	17.0
122.06943	0.9
124.07685	3.2
126.05634	10.2
126.09271	49.4
127.09595	1.2
127.26749	0.9
128.03526	1.9
128.07167	0.9
135.29375	0.8
138.05626	5.4
138.09280	5.1
139.07692	3.5
140.07202	1.5
140.10805	4.7
143.31477	0.8
148.07701	2.8
150.09277	17.7
151.07698	1.9
152.07191	1.3
154.08775	16.7
155.09079	1.1
156.06656	2.0
163.08528	1.0
164.07214	1.3
166.08762	3.4
167.07079	1.8
168.10304	3.2
169.08694	2.1
182.08235	1.6
184.09836	7.9
194.08255	3.4
210.07741	26.0
211.08040	2.6
212.09309	34.5
213.09625	2.9
228.08772	7.2
255.23315	6.3
256.08261	100.0
256.23663	6.2
257.08566	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	256.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55692	0.7
56.72867	0.7
58.33984	0.6
59.01382	5.3
61.98816	0.9
63.32436	0.6
69.42813	7.2
69.55760	0.6
72.04578	0.6
72.99287	0.7
75.00887	1.1
82.02986	2.5
83.05034	0.8
97.62402	0.6
98.20687	1.5
125.09790	0.9
126.09282	0.8
150.09276	0.7
153.09224	1.4
154.95169	0.7
168.10345	3.5
169.08716	1.0
197.08255	1.9
212.09300	81.7
213.09627	4.5
215.09264	8.1
241.05104	0.8
242.02106	1.5
255.20605	1.6
255.23309	36.7
256.08267	100.0
256.23633	57.4
257.04526	1.3
257.08618	8.6
257.14084	0.9
257.23999	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	256.0827
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
55.01875	1.8
61.25450	0.9
68.05036	1.6
69.03448	1.9
71.28877	2.4
72.04562	9.9
82.03001	10.5
83.01373	4.6
84.00918	1.9
91.88436	0.8
94.73627	0.8
95.35796	1.0
96.04591	0.9
98.02478	2.1
99.08161	3.2
100.04087	5.5
100.04615	0.9
111.03266	2.0
111.04535	3.6
112.04128	1.0
121.05789	1.5
121.06609	19.3
122.06927	1.3
124.07677	3.2
126.05631	11.4
126.09265	44.3
127.09576	2.5
128.03548	1.6
138.05621	4.4
138.09267	5.3
139.07663	2.9
140.10841	3.5
148.07706	2.6
150.09261	14.7
151.07629	2.3
151.09576	1.4
152.07143	1.8
154.08748	15.4
155.09065	1.2
156.06619	1.9
166.08768	4.0
167.07092	1.7
168.10271	4.4
182.08092	1.4
184.09805	9.3
194.08246	3.3
194.41841	0.9
194.75591	0.9
210.07722	26.5
211.08090	2.0
212.09300	31.5
213.09659	2.8
228.08815	7.8
239.35486	1.0
254.67563	1.2
255.23349	5.1
256.08258	100.0
256.23627	7.8
257.08591	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	253.0928
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
53.71838	0.3
59.01381	100.0
60.01716	1.4
61.98833	20.7
63.53950	0.4
70.18296	1.7
71.01385	0.9
72.99313	2.0
73.02967	0.4
77.72440	0.3
85.02956	0.5
89.02474	0.7
98.20675	0.5
101.02483	1.8
102.07845	0.5
113.02461	0.6
130.08147	0.4
155.39589	0.4
161.04576	0.7
193.07201	5.4
196.71849	0.4
253.09305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
59.01382	100.0
69.66816	37.3
70.17177	3.8
78.13514	4.0
86.60349	4.5
92.72949	5.1
98.20632	8.1
131.60820	5.0
192.45908	4.2
193.07295	11.0
253.21725	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.1
60.01721	1.0
61.98834	100.0
69.90652	2.0
71.01402	0.6
74.66187	0.3
75.00884	2.2
98.20512	0.6
104.96732	0.3
112.98848	0.3
134.03816	0.4
135.04076	0.6
136.43819	0.3
137.02502	0.4
142.99902	0.7
173.01024	0.4
185.03072	0.3
194.05507	0.5
211.01051	0.6
212.06575	0.7
218.10388	0.3
230.99826	0.3
254.01764	0.4
255.23296	3.9
267.48431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10764	0.3
57.01329	0.2
59.01378	4.0
59.25874	0.2
60.01721	0.9
61.98831	100.0
62.98518	0.3
63.85285	0.2
63.92160	0.2
71.01390	0.4
71.70789	0.6
75.00878	1.7
105.66752	0.3
122.22940	0.3
135.04118	0.8
142.99879	0.6
148.57391	0.3
150.06535	0.3
168.99806	0.3
185.03064	0.6
194.05467	0.3
211.01060	0.9
212.06537	0.5
236.00423	0.4
255.23305	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	256.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03437	0.9
58.40876	0.6
59.01385	7.0
61.98807	1.1
66.03504	0.8
71.05013	1.1
71.71262	0.7
71.71651	0.7
72.04550	3.0
72.99310	0.7
74.99076	0.8
81.02196	0.8
82.02979	5.7
82.06628	1.5
83.01402	6.1
84.00942	1.1
84.08201	2.7
85.02937	1.5
87.00881	0.7
91.87586	0.7
94.02983	0.7
96.04562	4.7
98.02502	3.2
99.00874	0.8
99.04561	0.9
107.05013	0.7
109.06595	0.7
110.02457	1.1
111.00852	0.8
111.03269	0.7
113.09724	2.3
125.02393	0.6
125.09706	1.5
129.01970	0.6
138.09262	6.9
140.07224	1.4
140.10838	18.4
141.11211	0.7
148.94284	0.6
150.09258	2.3
151.03883	0.6
153.09232	2.0
166.08763	2.1
168.10323	41.7
169.10654	2.3
180.07640	0.6
184.97971	0.6
197.08180	1.1
212.09303	60.8
213.09642	3.0
214.06258	1.4
214.98888	0.9
215.09253	7.5
216.85141	0.7
242.02184	1.0
248.67395	0.7
255.23300	40.9
256.08270	100.0
256.19220	1.9
256.23633	54.3
257.06592	1.9
257.08640	6.2
257.11124	2.0
257.13998	1.0
257.24002	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	251.1288
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.24468	0.5
53.73622	0.5
57.03457	3.9
59.01382	23.8
71.01397	1.5
71.40920	1.1
83.01452	0.6
85.02947	0.6
91.20249	0.5
99.00881	0.5
101.02473	0.8
105.08816	0.6
137.09744	5.7
138.10152	0.6
163.11281	0.7
165.05594	3.7
165.09215	3.5
166.63626	0.7
177.12875	1.6
179.14438	100.0
180.14760	7.8
189.12833	0.7
201.51759	0.6
207.13922	89.5
208.11055	1.7
208.14232	7.1
233.12001	0.6
251.12917	12.7
251.16492	1.6
252.13217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0513
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
59.01381	15.7
69.73116	1.4
69.73547	0.8
71.01389	8.1
71.47394	0.3
72.99331	0.5
87.57986	0.3
88.04053	3.0
89.45378	0.3
91.01917	1.2
93.03470	18.3
94.03825	0.7
98.61862	0.3
107.64148	0.3
108.02172	0.4
114.01965	0.7
115.00389	14.2
116.00741	0.4
118.03011	14.9
119.03332	0.6
121.02987	1.2
132.03050	3.4
136.04065	100.0
137.02478	9.7
137.04393	5.5
138.02863	0.3
146.06123	2.5
150.59583	0.3
162.05640	0.6
164.07169	7.2
165.07597	0.5
190.05089	0.9
193.07162	1.6
208.06175	8.3
209.06505	0.4
234.04128	1.8
252.05128	34.5
253.05170	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	253.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
58.22638	0.5
59.01381	100.0
60.01729	1.3
61.98830	2.3
66.84316	0.6
69.72409	4.5
71.01389	1.7
72.99311	6.3
73.02969	1.2
74.02498	0.8
75.68710	0.5
85.02946	0.6
87.00869	0.8
89.02471	0.8
89.03990	1.1
93.03459	0.9
97.02952	0.5
101.02453	1.5
103.00362	0.7
104.42390	0.6
108.02201	0.8
109.06621	0.6
115.00383	0.7
117.03494	2.6
121.02991	2.3
130.99895	0.7
134.03760	96.7
135.04063	5.2
137.02472	2.4
137.06091	1.2
149.06102	29.1
150.02122	1.1
150.03262	10.4
150.06448	2.1
161.04585	1.1
165.05579	9.5
166.05922	0.5
168.77750	0.7
178.02718	4.8
193.05092	50.0
193.07103	5.8
194.05443	2.7
200.35817	0.5
201.77571	0.6
207.44235	0.5
211.06126	74.7
212.06480	5.9
214.38005	0.5
235.13292	0.8
247.06955	0.6
249.20029	0.6
253.07172	2.6
253.14297	0.9
253.21660	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56014	3.5
54.32102	3.1
55.73300	3.5
57.04150	2.7
59.01382	57.0
62.74179	3.2
64.52046	3.2
69.38151	37.3
69.38552	9.1
70.92931	3.0
72.99305	4.2
118.26033	4.0
119.05042	9.3
147.04553	100.0
148.04900	5.3
165.05591	84.4
192.21869	3.2
207.06651	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	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.1
57.03452	5.9
58.00596	4.0
59.01382	83.1
60.01708	1.5
61.98818	1.4
69.03466	1.3
71.01388	100.0
71.41638	1.8
72.01701	1.8
72.99311	3.9
73.02955	32.7
75.00882	2.7
76.06266	0.7
83.01402	16.0
84.02174	1.2
85.02961	46.4
87.00887	5.4
87.04517	1.4
89.02460	24.7
95.01417	7.8
97.02948	2.1
99.00895	12.4
101.02460	99.0
102.02789	2.0
109.80808	1.0
111.00943	1.4
113.02467	41.9
114.02801	1.0
118.41617	0.8
119.03510	9.4
125.02451	1.7
129.01965	2.9
131.03571	1.0
135.04539	2.9
137.37685	0.9
143.03508	4.0
159.03026	9.0
161.04585	49.0
162.04916	2.7
179.03484	2.0
189.78366	0.8
251.11360	35.7
252.11771	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.6
65.57510	3.1
69.37835	6.3
69.38039	11.0
69.38449	26.3
72.23981	3.3
72.99305	7.1
74.52369	3.4
76.23962	3.2
76.63206	3.3
84.30295	3.6
98.19913	6.4
119.05052	9.3
133.69086	4.0
137.83539	3.5
147.04547	100.0
148.04890	8.6
165.05586	91.1
166.05910	7.7
167.57330	3.5
207.06656	7.7
210.25270	3.3
223.83217	3.9
241.81061	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	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03443	1.0
59.01374	1.7
59.07185	0.2
71.71129	0.4
73.02938	0.3
80.05077	0.3
81.03450	0.4
82.52264	0.3
83.05026	0.4
97.48771	0.3
108.02209	0.5
109.02985	2.3
111.04532	0.5
115.92128	0.2
123.04574	0.4
127.04021	1.1
136.05280	0.3
138.03242	4.8
139.03804	0.3
149.06042	0.3
150.06947	0.3
151.04031	0.7
151.07695	1.1
152.04704	0.3
153.01834	0.3
159.44887	0.2
161.02463	0.3
161.06136	0.2
161.09735	1.1
163.04126	0.3
163.11330	0.7
164.04797	1.6
165.05592	2.1
165.12872	0.7
166.06354	0.7
173.06119	0.8
175.11180	0.3
176.08400	0.3
177.05403	0.2
178.06369	0.9
179.07132	1.3
184.36130	0.2
187.07710	0.6
188.08484	1.2
189.09273	1.5
189.12872	0.3
190.06277	0.4
191.07182	2.7
191.10765	1.2
192.07674	0.3
193.12369	6.5
194.12627	0.6
203.14406	2.1
205.08702	3.8
205.15990	0.7
206.09349	0.7
207.10278	0.3
216.11554	3.2
217.12111	0.8
219.10284	0.7
221.15453	1.6
231.13919	13.8
232.14165	1.7
234.12628	3.2
249.14964	100.0
250.15271	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	249.1496
Annotation	Hirsutenol B
Peak:m/z	Relative Intensity
52.10747	0.8
57.03439	2.9
59.01380	7.1
61.03589	0.8
61.98833	1.9
64.57347	0.7
70.94563	0.7
71.01394	0.9
71.70969	0.8
72.99379	0.8
73.02938	1.6
83.58327	0.8
85.02962	1.1
105.27313	0.7
107.19361	0.9
109.02965	2.0
121.02986	0.8
122.03763	32.0
123.04578	1.0
127.07631	1.3
135.04526	1.8
136.05275	1.3
136.09003	1.0
136.96660	1.0
137.09758	1.1
138.03212	2.2
147.60936	0.8
149.06097	28.7
149.09680	1.1
150.06438	1.5
151.07672	1.4
151.11308	1.2
159.08092	0.9
160.26175	0.9
161.02473	1.2
161.09750	0.9
163.07674	9.0
164.08456	3.3
165.09204	2.2
172.05249	1.6
173.06042	4.3
176.08411	1.9
177.09273	4.0
178.09988	3.6
179.10794	53.4
180.11148	4.8
187.07683	2.8
187.14972	4.4
188.15494	0.9
189.12862	3.3
191.07123	2.7
191.10780	2.8
192.11555	8.1
193.08701	2.8
193.12383	2.0
193.16039	1.6
197.09708	3.3
199.11375	0.9
201.09225	2.7
203.14407	2.9
205.01517	1.1
205.08711	2.8
205.16011	1.9
207.13881	0.9
213.12848	11.1
214.13115	1.3
215.10704	1.0
216.11577	2.8
217.12247	1.8
221.15555	1.0
231.13899	21.2
232.13565	4.9
234.12668	2.0
248.97433	1.7
249.00296	1.2
249.11244	3.5
249.14960	100.0
249.18576	9.7
250.14702	21.1
250.18776	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	248.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.5
60.01720	3.2
61.01810	4.7
71.01374	1.3
72.99313	3.0
73.99671	0.8
74.99731	1.7
75.00879	1.1
77.73737	0.6
85.02932	0.6
113.02483	1.5
116.05058	4.7
117.05423	3.1
118.05753	1.5
128.05081	1.9
129.05470	1.5
130.05753	0.7
130.06631	1.9
132.07298	0.8
134.34212	0.6
142.06648	100.0
143.06999	50.2
143.08171	1.5
144.07352	56.7
145.07674	0.7
158.06143	8.2
159.06470	4.6
160.06784	8.5
166.63774	0.8
186.05626	15.4
187.05977	8.1
188.06218	34.0
189.06555	1.2
204.06686	12.7
205.07005	15.0
206.07231	65.8
207.07492	3.6
215.78824	0.6
247.37868	0.7
249.06163	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	249.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
56.32984	0.1
57.03448	3.1
58.00594	1.4
58.02951	0.2
58.03779	0.1
59.01379	25.8
60.01725	0.3
65.03958	0.1
67.01894	2.2
68.99821	7.9
69.03458	5.6
70.03800	0.2
71.01386	34.5
72.01725	0.6
72.99312	7.3
73.02953	4.5
73.99648	0.2
74.03285	0.1
74.07861	0.1
75.00878	22.2
76.01225	0.4
80.02205	0.1
80.74473	0.1
81.03458	1.5
83.01397	2.9
83.01877	0.2
83.05055	0.8
84.02177	0.3
85.02959	18.0
86.00124	0.3
86.03296	0.5
87.00882	7.2
88.01218	0.2
88.01682	0.1
89.02452	6.7
90.02802	0.3
91.04022	2.3
91.04553	0.2
93.03470	2.0
95.01398	5.8
95.05065	0.2
97.02963	1.7
99.00890	11.4
99.04526	0.2
100.01233	0.4
101.02452	0.5
103.00381	2.1
103.04034	0.8
108.02188	0.2
109.02972	1.4
111.00903	2.6
111.04559	1.0
111.10973	0.1
112.01684	0.9
112.04066	0.2
113.02464	20.6
114.02787	0.8
114.99645	0.2
115.00401	2.1
115.03997	0.8
117.01956	4.4
121.02966	0.2
123.04572	0.2
127.04012	0.3
129.01955	2.5
130.99890	0.8
131.03513	0.4
133.05106	0.5
139.00375	0.5
139.04099	0.1
143.03575	0.2
147.03064	0.2
147.04478	0.2
157.01440	0.9
164.07162	0.8
169.05058	0.6
173.04477	0.2
175.02499	2.0
176.02806	0.1
181.52333	0.2
189.04062	2.2
206.08266	0.6
231.05086	4.4
231.11415	0.3
232.05522	0.3
232.13600	0.1
249.06148	100.0
250.06480	6.2
250.14461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.76189	0.2
71.22992	0.2
78.21912	0.2
85.18655	0.2
87.04534	2.3
87.96275	0.2
98.20644	0.5
99.22388	0.2
109.02983	0.3
122.03772	0.3
133.06609	2.5
135.04565	1.7
136.05310	0.3
144.05823	0.3
147.08234	0.3
149.06062	0.4
149.09718	0.4
150.06888	2.1
158.07437	0.3
159.08163	1.4
161.06102	4.0
161.09744	0.7
164.08305	0.2
173.06154	0.3
175.07672	11.0
176.07986	0.9
177.05598	1.9
177.09227	1.2
179.10800	5.1
180.11095	0.4
187.07628	0.3
188.08463	0.4
189.09247	1.9
190.09715	0.3
191.07211	0.6
203.10785	1.2
205.08731	6.8
205.10672	0.4
205.16037	0.2
206.09056	0.6
207.10213	0.2
231.13921	0.8
232.13539	0.5
249.14972	100.0
250.15303	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	247.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89396	0.5
59.01382	10.1
60.01720	2.6
72.99316	2.8
73.99671	0.7
77.65883	0.6
85.58817	0.6
104.64696	0.5
116.05083	2.4
117.05431	2.6
129.05426	1.2
131.07034	1.1
142.06650	37.3
143.06996	100.0
144.07347	3.2
144.65514	0.6
158.06111	3.2
159.06493	10.8
159.33231	0.6
186.05623	9.0
187.05972	39.1
188.06262	2.5
204.06699	14.3
204.41249	0.6
205.07014	68.0
206.07288	5.9
247.08099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85720	2.1
53.16450	2.4
54.04344	2.1
59.01379	72.1
64.61934	2.1
70.87204	7.0
71.05000	3.3
81.43587	2.2
81.69431	2.8
94.13223	2.2
98.72988	2.4
99.04538	11.8
99.08195	5.6
103.00389	12.1
115.04012	9.7
117.05583	8.4
142.06671	12.5
143.07018	45.3
161.08223	100.0
162.08575	4.2
187.05945	15.4
191.04205	2.7
204.06688	4.3
205.06992	18.8
229.27098	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	247.134
Annotation	Mansonone P
Peak:m/z	Relative Intensity
69.66069	2.2
69.66478	0.9
137.02451	0.4
142.63319	0.3
161.06107	29.1
162.06480	1.8
175.07594	0.4
176.08452	15.7
177.08899	1.5
189.05585	14.1
190.05959	1.0
191.10744	1.1
204.07932	18.1
205.08406	2.0
208.07329	0.4
218.26851	0.3
219.13902	31.3
220.14270	3.6
247.13391	100.0
248.13731	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	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03466	0.3
59.01370	1.3
65.15645	0.2
65.57806	0.2
71.70964	0.4
80.27415	0.2
102.39695	0.2
105.07096	0.4
114.90488	0.2
129.07135	1.1
133.06593	1.1
142.06657	1.6
143.07014	3.5
143.08681	0.5
144.30698	0.2
145.10257	10.2
145.11409	0.5
146.10599	0.5
159.04526	0.4
159.06531	0.5
161.06107	0.3
161.13425	0.3
171.08156	1.0
173.06105	5.6
174.06842	1.5
185.13365	0.3
186.05557	0.3
187.05937	1.5
187.07686	1.9
188.08012	0.3
189.09229	68.7
190.09569	5.7
191.10959	0.3
203.10849	0.5
203.14441	0.9
204.06625	0.4
205.07016	2.0
214.10068	0.5
216.08023	0.4
219.49420	0.2
229.12378	2.2
231.10205	1.0
247.13388	100.0
248.13733	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00351	0.0
56.99813	0.0
59.01381	13.5
64.01875	0.0
69.96092	0.0
71.01447	0.0
72.99315	4.1
73.02962	0.0
74.00143	0.0
75.00873	0.3
92.05061	0.0
115.04287	0.0
115.05654	0.0
116.05083	5.5
128.05084	2.2
129.06023	0.0
130.06653	2.3
131.03755	0.0
132.04582	0.4
132.08269	0.0
140.05099	0.4
141.05815	0.0
142.06642	100.0
142.31061	0.0
144.04570	0.5
146.06035	0.1
156.04709	0.1
157.05295	0.1
157.12497	0.1
158.06137	10.9
160.07722	0.0
161.04564	0.0
172.04030	0.3
185.11824	0.1
186.05621	25.5
202.04939	0.1
203.12967	0.3
204.06662	39.5
245.13786	0.0
246.07654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38307	0.6
59.01381	9.5
61.99197	0.6
64.58389	0.6
69.39443	0.8
69.39651	1.1
69.40065	4.6
72.99318	2.0
98.19846	1.3
116.05078	3.6
126.45169	0.6
126.96340	0.6
128.05058	1.3
130.06659	1.9
133.50092	0.7
133.52773	0.6
142.06639	100.0
143.06999	7.8
158.06137	6.4
186.05629	62.5
186.07439	0.7
187.05978	6.5
204.06674	93.3
205.07007	8.8
238.96927	0.6
246.07651	1.4
252.75189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15967	0.3
59.01381	10.5
67.78950	0.3
72.99318	2.6
98.20747	0.5
116.05076	4.6
128.05069	1.7
130.06660	2.4
132.04541	0.7
142.06641	100.0
143.06995	6.8
144.04538	0.7
158.06126	11.4
159.06485	0.9
164.50117	0.3
172.04066	0.8
186.05624	26.2
186.67303	0.3
187.05966	2.5
204.06665	48.3
205.07007	3.3
229.29312	0.3
246.07742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.74121	0.7
59.01378	5.6
59.01846	0.8
61.98832	11.7
62.59756	0.8
63.25278	0.6
67.01875	1.0
67.44960	0.9
71.05025	1.9
71.71301	0.8
71.71635	0.7
72.99330	1.0
77.06229	0.8
82.13641	0.6
83.01390	0.8
83.05034	0.9
97.02967	2.2
97.06615	1.8
99.00896	9.6
107.05032	1.0
110.02503	1.2
111.00923	0.9
125.09748	2.6
135.08130	0.9
139.11301	0.8
142.02789	1.1
153.12863	1.3
155.07199	1.4
155.14490	1.3
163.11255	4.1
169.12358	1.4
172.04044	1.0
181.12366	12.9
183.10194	1.2
197.11821	2.7
199.13417	27.9
199.15277	1.6
200.05739	0.8
200.13765	2.6
201.11333	3.1
207.10274	17.8
208.10617	2.6
225.11325	37.2
226.11682	3.9
243.02945	1.4
243.12372	100.0
244.12708	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46553	0.6
57.03437	2.4
59.01378	54.7
60.01709	0.9
67.36269	0.6
69.03463	1.5
69.62285	6.3
72.99312	10.0
73.83373	0.5
85.06595	0.9
95.45658	0.6
96.76180	0.6
105.54598	0.6
107.08700	3.6
111.04494	1.4
121.10260	1.0
125.09742	0.7
139.11333	3.6
142.92181	0.6
155.10789	3.4
183.10275	62.6
184.10593	5.5
201.11333	100.0
202.11685	8.8
243.12302	6.0
244.12697	0.8
258.18884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01863	0.8
57.03433	0.9
59.01383	5.8
61.98819	5.2
67.01881	0.8
71.05011	3.1
71.71597	1.1
72.99302	1.2
73.02953	1.8
77.18468	0.7
79.95729	1.3
83.05032	1.0
87.86690	0.8
89.59267	0.7
95.05021	0.8
97.02968	5.8
97.06612	2.1
99.00895	21.4
109.06595	0.9
111.00881	1.3
125.09758	5.6
127.11282	2.2
135.08179	0.9
136.05293	0.9
142.02734	2.4
152.01147	1.0
153.12834	1.2
155.07164	0.8
155.14479	1.7
156.08255	1.0
161.09720	1.3
163.11334	9.4
171.10272	0.9
181.12373	23.7
182.12653	1.8
183.10312	1.5
189.00128	0.8
191.89407	0.7
193.15007	0.8
197.11790	1.1
199.13422	18.4
200.13782	1.8
201.11385	6.7
207.08295	1.6
207.10277	40.3
208.10620	4.3
225.11322	78.9
226.11676	7.7
243.02956	1.7
243.06775	2.1
243.12369	100.0
244.12683	10.7
255.25912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1183
Annotation	Aquatolide
Peak:m/z	Relative Intensity
59.01374	2.3
61.98817	1.8
66.91866	0.3
70.33585	0.3
70.55371	1.1
72.99310	0.4
78.95937	0.3
99.92596	0.8
100.92601	0.6
112.19633	0.2
116.05070	0.8
130.06612	0.3
142.06647	14.0
146.62254	0.3
152.99614	0.4
158.06125	1.7
159.04501	0.4
161.06100	1.4
171.08223	0.6
173.06096	1.8
173.09784	0.3
174.06731	0.6
175.07625	0.6
177.09248	0.4
186.05612	4.5
187.07668	1.1
189.09221	4.9
196.05334	0.5
197.06075	1.4
199.11307	1.3
201.05605	0.7
201.09250	0.8
202.06136	0.3
202.10019	4.3
203.07201	0.3
203.10495	0.4
204.06671	8.1
209.09782	1.2
211.05623	0.4
211.07666	7.8
212.08408	7.7
213.08804	1.1
215.07161	1.4
217.12343	44.1
218.12645	4.6
225.09331	1.2
226.09850	0.5
227.10780	37.3
228.11099	5.1
229.08669	0.7
230.09450	3.4
234.08965	0.9
245.11824	100.0
246.12173	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	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21394	1.2
55.01882	5.1
57.03453	1.6
59.01367	3.9
61.98832	60.0
69.03464	1.4
70.57204	3.5
71.01354	1.3
72.04543	1.5
82.02985	17.5
83.01384	4.3
84.04555	1.3
85.06579	5.8
87.00880	2.3
91.46825	1.0
93.03494	1.3
94.02989	1.9
97.02965	4.6
97.06591	1.3
98.02506	5.7
99.00880	1.3
100.04060	8.2
106.97946	1.0
107.05047	20.2
110.02454	1.7
110.06138	3.1
110.48384	1.2
111.03257	2.1
112.04064	12.4
112.07700	48.9
113.08021	2.6
114.05658	1.5
115.00353	1.1
124.04054	4.9
124.07708	4.8
125.06079	4.9
126.01973	2.7
126.09245	4.8
128.03523	2.2
134.06126	2.2
136.07700	13.3
137.06097	4.3
140.03557	1.4
140.07199	22.2
142.05136	2.0
150.05539	1.3
152.07184	3.3
153.05536	2.2
154.08743	3.0
155.07149	2.5
168.06599	2.1
170.08247	9.0
171.08691	1.1
173.00865	1.3
180.06691	3.6
181.07693	2.5
196.06172	25.3
197.06462	2.3
198.07742	36.7
198.09610	2.0
199.08072	3.1
214.07269	13.2
224.05611	1.4
238.12833	1.2
242.06694	100.0
243.07043	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	243.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.2
59.01381	14.3
61.98836	3.7
69.50906	0.9
69.51321	4.7
71.01389	4.6
71.05022	0.5
72.02161	2.1
73.02943	0.8
81.07112	0.7
83.04999	2.9
84.02168	1.2
85.02953	0.7
85.06606	0.8
86.00114	2.2
95.05039	9.9
97.06614	3.2
98.19815	1.1
99.08172	13.3
100.08554	0.6
104.76332	0.6
107.05045	23.4
108.05382	1.3
109.06595	1.3
110.02465	0.9
111.00930	0.7
111.08174	1.8
112.01678	1.2
113.06107	6.1
116.84261	0.5
123.04560	3.7
125.06105	20.1
126.06451	1.3
127.07681	10.5
127.91941	0.5
128.08057	0.6
137.06119	2.6
139.11311	0.8
144.79865	0.5
153.72252	0.5
155.07166	100.0
156.07478	5.4
175.96669	0.6
181.12346	1.8
183.10286	2.7
199.13429	0.6
201.11342	1.7
225.11305	1.1
243.02919	0.6
243.06563	0.8
243.08646	0.8
243.12294	4.0
243.16151	0.9
244.12695	0.7
260.52536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09169	0.7
61.98835	100.0
71.65098	1.5
71.65456	1.3
87.00901	0.8
162.52242	0.8
165.23813	0.8
188.82446	1.0
238.71181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59196	0.6
58.25879	0.5
61.98833	100.0
69.65781	1.4
69.66180	3.3
72.99337	0.6
81.37923	0.6
87.00856	0.6
98.19883	0.8
114.80697	0.6
117.46162	0.5
147.91922	0.6
172.07899	0.7
173.02365	0.5
199.72502	0.6
216.76385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03439	2.3
59.01373	5.8
61.98835	100.0
63.54909	0.8
66.03481	1.0
67.00694	0.7
69.03461	1.1
69.89520	2.4
69.89931	3.0
71.01379	4.9
71.55833	0.8
71.76862	0.8
72.04549	10.3
72.99306	2.4
73.02949	1.1
75.00886	1.4
81.43427	0.7
82.02995	40.5
83.01393	4.8
84.00899	0.8
84.04536	1.2
85.02971	2.5
85.06589	2.4
87.00906	4.5
89.02454	1.1
93.03506	1.0
96.04523	1.2
97.02958	2.4
97.06606	1.1
98.02493	6.7
98.19847	0.9
99.00901	8.0
100.04068	14.1
101.02453	3.1
107.05047	7.9
109.06601	0.8
110.02512	4.9
110.06155	1.6
111.00915	2.9
112.04068	6.5
112.07711	26.5
112.98823	14.1
113.08080	1.0
113.99140	3.1
114.05647	4.3
115.00400	2.4
117.01990	0.9
124.04061	3.2
124.07701	3.5
125.06122	2.5
126.05602	1.0
126.09281	3.0
128.03520	1.5
129.01964	2.8
134.06119	2.5
136.07695	12.5
137.06094	2.2
137.16800	0.8
140.07205	10.3
142.99876	9.2
144.00226	2.3
145.00424	1.1
145.01468	3.7
150.05563	1.0
152.07199	1.9
153.03069	2.3
153.05602	3.3
154.08784	3.3
155.07211	2.0
168.06699	1.8
170.08278	5.7
173.00929	13.6
174.01233	2.5
180.06671	0.9
183.06537	1.2
196.06168	18.2
197.06529	1.8
198.06047	1.7
198.07741	22.4
199.08096	1.4
200.05661	1.5
205.03532	7.4
206.03906	2.0
210.98305	3.0
214.07239	6.9
242.06709	81.7
243.01129	1.4
243.04706	1.3
243.07112	4.4
260.20251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45523	0.8
55.01862	3.0
55.02113	1.0
57.03449	2.2
59.01372	7.3
61.98831	100.0
71.01392	5.8
71.69901	0.9
72.04554	11.3
72.99289	1.2
73.02953	1.4
75.00851	1.0
77.29552	0.9
77.44889	0.9
81.03433	1.0
82.02992	40.6
83.01392	4.1
83.05025	1.3
84.04539	1.1
84.94537	1.1
85.02950	2.5
85.06588	3.2
87.00888	7.6
89.02452	1.2
93.03468	1.5
94.02987	1.2
96.04533	1.7
97.02973	3.2
97.06617	2.2
98.02499	7.3
99.00897	7.6
100.04057	16.6
101.02452	3.4
107.05040	9.9
110.02518	5.2
110.06136	2.3
111.00874	2.6
111.02035	1.2
111.03299	1.9
112.04057	7.6
112.07703	31.3
112.98821	9.7
113.99176	1.2
114.05640	5.0
115.00379	2.3
117.01941	1.3
122.02529	1.2
124.04009	4.9
124.07668	4.8
125.06087	3.9
126.09292	3.1
127.07703	1.2
128.03566	1.7
129.01962	3.4
134.06154	2.1
135.48050	0.9
136.07697	12.9
137.02510	1.0
137.06099	2.2
138.05556	1.0
140.07202	14.5
142.99904	5.8
144.00195	1.2
145.01445	3.8
149.22987	0.9
152.03503	1.1
152.07141	1.8
153.03117	1.9
153.05586	4.3
154.08742	4.0
155.07146	3.5
168.06610	2.0
170.08263	6.0
173.00941	9.3
174.01248	1.6
180.06630	1.9
183.06641	1.7
196.06169	21.7
197.06511	1.8
198.07738	28.6
199.08020	1.6
200.05699	1.5
205.03554	4.4
205.16574	0.9
210.98288	2.3
214.07233	7.6
217.10901	1.0
224.05675	1.2
242.06709	86.8
243.01039	1.6
243.07127	7.1
264.92282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03450	0.8
59.01372	2.9
61.98835	28.8
70.12836	0.7
75.28681	0.7
81.03455	5.3
85.06597	25.0
86.06960	0.9
87.00889	0.8
99.04549	5.0
99.15759	0.7
109.06608	3.3
111.08180	2.2
125.02467	39.2
125.09725	2.6
126.02785	1.7
137.09747	1.0
141.60837	0.7
142.43520	0.7
151.11311	11.5
152.11626	1.0
153.05594	10.1
153.12856	5.3
154.06685	1.4
155.07182	1.1
165.01935	3.3
166.25414	0.7
167.10869	0.8
179.10799	14.3
180.04314	14.9
180.11121	1.4
181.04730	1.2
181.07275	0.8
190.06451	1.0
197.11845	96.2
198.12213	6.8
205.08705	30.0
205.10648	1.3
206.09076	3.2
223.09761	26.0
224.10117	2.7
241.10815	100.0
241.14601	3.0
241.21674	4.0
242.11183	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	241.1086
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03439	1.3
59.01383	5.6
61.98833	20.8
65.00327	1.2
71.71556	1.4
79.95763	1.1
81.03460	4.9
85.06602	19.3
89.46005	1.0
97.06598	1.4
98.45181	0.9
99.04536	4.9
109.06607	9.7
111.08182	6.1
125.02470	40.3
125.09734	3.9
126.02779	1.9
129.96611	0.8
131.99579	0.8
135.00909	1.2
137.09738	1.0
138.55061	1.0
139.04076	1.6
142.06612	1.2
151.11298	15.6
152.11584	1.7
153.05629	13.8
153.12886	6.1
154.06682	7.3
155.07120	2.0
165.01923	3.7
167.10817	1.9
176.38930	1.0
178.99879	3.5
179.10786	13.8
180.04291	14.5
180.11090	1.2
181.04713	1.1
181.07294	1.1
181.08669	0.9
197.00899	1.6
197.11848	100.0
198.05630	1.8
198.12198	10.3
199.09773	2.9
204.97812	1.0
205.08719	20.8
206.09061	1.7
223.09767	22.9
223.13274	1.4
224.10097	2.1
241.10823	74.0
241.14561	3.2
241.18091	1.8
241.21701	3.3
242.11108	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	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.45610	0.4
57.03450	20.4
58.03793	0.6
59.01376	1.4
61.98834	10.0
63.58358	0.5
71.10105	1.3
83.05039	1.9
85.06627	0.7
95.05062	0.8
98.11838	0.5
109.06619	3.0
112.12824	0.5
117.90598	0.5
118.64912	0.4
125.09761	1.8
127.07677	1.9
137.09743	4.4
138.10042	0.5
139.04027	0.5
151.11298	2.0
153.05612	12.9
153.12907	1.0
153.47961	0.4
159.08159	0.9
179.10800	4.3
180.11099	0.5
189.57063	0.5
190.06396	1.6
197.11852	100.0
198.12190	7.2
199.09789	1.8
203.07132	1.8
205.08714	42.5
206.09059	4.3
223.09764	22.2
224.10118	1.7
241.10825	71.7
241.21779	0.9
242.11183	6.8
244.75377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03458	3.1
59.01382	40.4
60.01688	0.6
60.66214	0.6
61.98832	4.4
63.77630	0.6
69.03448	1.8
71.02823	1.0
71.03157	1.4
72.99323	4.6
78.91895	3.7
80.14412	0.5
85.02980	0.7
93.07106	4.6
107.08680	6.7
109.06599	1.6
111.00879	0.8
119.08678	10.1
120.08994	0.7
121.02013	0.7
130.08768	0.9
133.06599	0.8
135.08209	4.2
151.07600	0.8
153.09195	1.0
161.09732	0.6
163.07692	4.3
167.09856	0.5
181.08720	15.0
182.09085	1.2
199.09772	100.0
200.10121	8.2
240.94876	0.7
241.10866	3.6
241.14496	0.7
241.21638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82348	0.5
50.89653	0.5
59.01382	42.9
60.01720	0.7
61.98835	4.1
64.36842	0.5
69.03461	3.1
69.09129	0.5
69.47375	5.7
71.01390	0.7
72.99314	3.5
73.87291	0.5
78.91889	0.6
83.05025	0.6
100.29436	0.5
105.07157	1.0
107.08688	15.6
108.09022	0.9
111.04528	0.9
119.08669	2.0
119.26923	0.5
123.08189	1.3
133.06693	0.7
135.08267	0.8
151.07625	1.5
153.09258	1.2
163.07715	1.1
165.46582	0.5
169.08746	1.4
181.08725	14.4
182.09038	1.0
182.65662	0.5
199.09781	100.0
199.86722	0.5
200.10133	8.6
241.10870	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	237.1497
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
52.15092	0.1
55.01898	0.2
59.01373	0.3
61.77465	0.1
61.98832	0.3
71.01404	0.2
77.52343	0.1
100.37528	0.2
115.05561	0.1
117.69276	0.1
143.05020	0.5
148.05339	0.3
149.06038	0.2
151.11420	0.1
159.04576	0.2
161.06102	49.2
162.06444	3.6
175.07695	0.8
176.08446	24.5
177.08881	2.3
179.14426	0.6
179.20377	0.1
189.12875	1.6
190.13330	0.1
191.10777	2.1
192.11179	0.2
193.08717	0.2
193.12378	0.2
203.10786	0.6
204.11493	0.2
207.13863	0.4
208.07405	0.9
209.15480	0.2
217.12317	0.6
218.12805	0.1
219.13907	100.0
220.14247	11.9
220.17392	0.2
223.13414	0.3
233.11838	0.6
235.13498	0.7
236.13683	0.2
237.07719	0.3
237.15027	1.8
251.13002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40049	0.8
59.01380	100.0
59.61457	0.8
59.69238	0.7
60.01717	1.4
64.01672	0.8
64.43290	0.8
70.35176	3.8
71.01384	6.6
72.99324	0.8
73.02948	1.0
73.65047	0.7
75.00887	1.2
85.02948	4.0
85.30672	0.7
87.00885	12.0
89.02451	6.7
99.00880	2.2
101.02453	2.3
101.79921	0.8
105.01925	4.5
113.02486	2.2
117.01970	0.9
119.03513	2.0
125.75494	0.8
131.03494	1.1
134.10930	0.9
149.04631	0.9
161.04552	7.5
165.04056	18.5
179.05635	38.7
180.05939	1.7
185.98215	0.9
194.21855	0.9
221.06638	2.4
239.07690	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	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03457	0.2
59.01376	0.4
61.98837	0.6
62.66523	0.1
68.76621	0.1
69.56409	0.2
69.56814	1.0
71.01376	0.2
83.01395	0.1
94.11739	0.1
101.02442	0.2
113.53448	0.1
115.05534	0.2
121.17876	0.1
121.81917	0.1
143.05023	0.4
148.05298	0.2
149.06122	0.5
159.04529	0.3
161.06100	48.6
162.06430	3.6
175.07671	0.6
176.08440	22.2
177.08878	2.2
179.14456	0.5
182.62186	0.1
189.12833	1.0
190.63235	0.1
191.10796	3.7
191.14371	0.2
192.11147	0.4
193.12305	0.2
193.16020	0.1
194.09175	0.2
195.13817	0.2
204.11278	0.2
207.13945	0.3
208.07404	1.0
209.15451	0.3
217.12325	0.6
219.13904	100.0
220.14240	12.1
220.17419	0.2
222.12691	0.2
223.13367	0.4
233.11807	0.3
235.13448	0.7
237.07668	0.2
237.11348	0.3
237.15038	1.0
238.15240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03453	1.9
59.01376	3.0
70.40811	1.1
70.41213	0.9
71.01390	1.4
72.99335	0.6
75.00880	4.9
78.95901	0.9
85.02945	2.1
87.00887	100.0
88.01221	2.5
89.02444	0.8
98.20136	1.0
129.01964	13.0
130.02274	0.5
154.28731	0.4
161.12523	0.4
170.98763	0.4
206.13281	0.4
211.01012	0.8
219.05087	0.5
237.06155	11.7
238.06403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88183	0.2
55.56527	0.1
59.01376	0.3
61.98833	0.2
66.93727	0.1
69.81467	0.3
69.81882	0.7
71.01414	0.2
100.82737	0.1
125.47564	0.1
131.67160	0.1
135.04576	0.2
139.74629	0.1
143.05031	0.6
148.05324	0.3
149.06071	0.6
151.11183	0.2
161.06100	50.7
162.06438	3.9
175.07629	1.1
176.08444	24.2
177.08861	2.4
178.31604	0.1
179.14453	0.2
181.16006	0.2
185.05180	0.2
189.12848	0.8
191.10840	1.8
193.08527	0.2
193.86737	0.2
204.11530	0.3
207.13928	0.2
208.07368	0.9
214.65073	0.1
217.12273	0.5
217.14110	0.1
218.12842	0.1
219.13902	100.0
220.14240	11.6
220.17389	0.2
223.13383	0.3
231.13852	0.1
233.11827	0.5
235.13394	0.6
237.15031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0929
Annotation	Cotarnine
Peak:m/z	Relative Intensity
54.58012	0.6
57.03453	0.6
58.02978	52.0
59.01383	2.2
59.23158	0.6
61.58823	0.7
61.98837	1.2
62.81220	0.7
67.59449	0.6
69.88749	4.6
70.02990	1.5
71.01418	1.1
72.00908	7.0
72.99304	0.9
87.00890	1.0
88.04047	2.9
89.02454	1.6
91.05568	1.1
98.20512	1.4
104.53665	0.7
110.43331	0.6
120.04556	1.5
121.02954	3.7
126.20258	0.7
130.06696	0.7
144.04546	1.3
145.06639	0.6
147.04543	34.5
148.04938	2.4
158.37720	0.7
162.09265	1.2
164.07187	100.0
165.05719	0.6
165.06221	0.9
165.07530	7.5
177.05219	1.5
192.07516	1.9
206.08246	19.5
207.08496	1.9
218.08282	5.1
236.05717	1.4
236.09283	48.8
237.04169	1.2
237.07576	1.4
237.09698	5.0
237.14981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74876	0.5
61.98838	0.9
67.67342	0.6
71.01386	14.6
71.53231	0.8
71.53576	0.8
81.89057	0.7
91.42093	0.5
115.00389	30.5
116.00717	0.9
120.04570	100.0
121.02975	27.0
121.04878	5.7
121.55022	0.6
122.03270	1.3
130.06673	1.1
139.12587	0.7
147.04497	0.9
148.07706	10.0
149.08038	0.8
156.06895	0.6
164.07172	2.5
174.05624	13.6
175.05963	1.0
192.06679	35.5
193.07045	3.1
218.04575	5.2
236.05644	55.8
237.05940	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	233.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96858	0.2
56.06907	0.2
59.01381	11.3
59.04835	0.2
60.99306	0.2
67.01883	0.3
70.85715	0.3
70.86099	0.3
71.01368	0.3
74.38810	0.2
75.69543	0.2
93.03471	1.9
94.91113	0.2
111.04523	0.3
131.08101	0.2
133.06609	0.3
149.00937	1.2
161.09679	0.3
171.08171	3.8
172.08522	0.2
173.04582	2.7
175.07649	0.8
189.09242	7.4
189.12877	0.2
190.09549	0.6
199.11328	1.3
215.14433	10.9
216.14809	1.3
217.07204	1.5
217.12329	0.7
218.07611	0.3
232.63087	0.2
233.10706	2.2
233.15482	100.0
234.15817	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1548
Annotation	Confertifoline
Peak:m/z	Relative Intensity
53.96858	0.2
56.06907	0.2
59.01381	11.3
59.04835	0.2
60.99306	0.2
67.01883	0.3
70.85715	0.3
70.86099	0.3
71.01368	0.3
74.38810	0.2
75.69543	0.2
93.03471	1.9
94.91113	0.2
111.04523	0.3
131.08101	0.2
133.06609	0.3
149.00937	1.2
161.09679	0.3
171.08171	3.8
172.08522	0.2
173.04582	2.7
175.07649	0.8
189.09242	7.4
189.12877	0.2
190.09549	0.6
199.11328	1.3
215.14433	10.9
216.14809	1.3
217.07204	1.5
217.12329	0.7
218.07611	0.3
232.63087	0.2
233.10706	2.2
233.15482	100.0
234.15817	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39040	1.2
59.01381	53.9
61.98835	100.0
69.09335	1.2
70.85635	4.1
71.01390	6.1
72.00947	1.5
72.99329	4.5
75.00887	13.9
85.02965	1.6
87.00883	5.1
92.05064	4.1
99.00889	9.2
100.98821	19.6
101.02464	1.6
103.00391	5.0
111.00897	1.4
113.02435	1.9
115.00401	3.5
120.04597	3.0
125.07829	1.3
127.97540	5.4
131.03638	2.5
134.06186	1.4
135.04510	1.7
135.72226	1.6
142.99899	11.6
144.04565	4.4
146.06110	2.6
148.04073	14.6
149.04526	4.0
160.16858	1.4
173.07204	2.3
175.02515	25.6
175.06128	2.1
190.05141	3.3
217.06149	2.6
235.07309	9.6
235.09543	1.6
236.05450	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	233.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03445	6.7
59.01382	100.0
60.01717	2.2
61.01775	0.7
67.01874	2.1
68.99807	1.3
70.76134	0.7
71.01385	20.5
71.05019	2.1
71.46113	1.6
71.46469	1.4
72.01727	0.8
73.02959	4.0
83.01384	3.8
83.05008	1.0
85.02969	5.9
99.00899	10.5
99.13562	0.9
101.02450	2.9
101.06091	1.9
103.00397	6.1
103.04059	0.8
104.03549	0.8
111.00912	5.8
112.01199	0.9
115.00372	1.4
129.01959	11.4
129.05597	7.8
147.06665	20.9
173.00934	1.2
189.07626	2.0
233.10258	2.4
233.15433	1.4
233.82710	0.9
234.09828	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	231.1392
Annotation	Oculatol
Peak:m/z	Relative Intensity
51.68971	0.1
52.77584	0.1
53.43375	0.1
59.01383	1.1
71.01389	0.2
148.05388	0.2
158.03723	2.1
161.02391	0.1
172.04002	0.2
172.05232	0.7
173.06104	11.8
174.06456	1.1
175.35023	0.1
177.82693	0.2
181.23143	0.2
185.69450	0.1
187.07674	0.4
188.08447	100.0
189.08780	10.3
231.13908	19.3
231.17676	0.5
232.14232	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
57.03448	15.9
59.01380	100.0
67.01897	3.4
68.99816	2.6
69.78434	7.7
71.01387	47.8
71.05049	1.4
72.99306	2.1
73.02956	8.4
81.89934	1.2
83.01396	12.4
85.02960	12.0
87.00916	2.3
91.62942	1.1
93.03447	1.9
99.00893	24.5
101.02448	3.9
103.00370	3.9
104.03474	1.1
111.00897	23.5
112.01241	1.7
115.00394	1.8
124.00824	1.3
129.01064	2.1
129.01967	35.2
129.05537	2.2
130.02318	1.8
140.69775	1.1
145.01344	1.6
147.06664	6.7
173.00958	5.3
173.04526	1.4
175.47316	1.1
185.46292	1.3
233.15443	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	230.067
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.80769	0.6
56.97788	0.6
57.03436	0.9
58.02975	1.3
59.01386	4.7
60.25839	0.7
67.48508	0.6
68.99773	0.7
71.01384	2.3
71.71004	0.7
72.01721	1.2
72.04552	19.1
72.99316	1.2
73.02954	6.3
73.04882	0.8
76.47189	0.6
78.95495	0.8
80.36422	0.7
82.02991	57.9
83.01392	2.7
83.03345	1.7
84.01747	0.9
84.04552	2.8
85.02961	21.0
86.03288	1.0
87.00871	2.2
88.04055	1.0
96.08133	0.7
97.06588	1.0
98.02487	80.3
99.00893	3.3
99.02831	1.8
100.01228	3.1
100.04058	15.7
101.07206	1.6
102.05622	100.0
103.05975	3.1
108.04554	1.0
109.04097	1.5
111.00912	1.7
112.01258	2.5
112.98835	4.3
113.99147	5.3
114.00145	1.4
114.09265	3.9
115.00396	1.7
122.78240	0.7
124.07695	1.0
125.06116	6.0
126.01989	23.7
127.00341	0.8
127.05157	16.4
128.03564	18.5
128.04526	0.9
129.01935	1.0
130.02290	1.3
142.03360	2.7
142.08774	1.6
143.11967	0.8
144.00227	1.0
145.06218	5.0
150.05630	1.6
150.72043	0.7
160.98647	1.6
163.92847	0.8
168.06685	31.9
169.07001	1.9
171.03062	0.9
174.01280	2.7
184.06184	16.5
185.06494	1.5
186.07741	7.4
186.96535	3.5
187.07411	1.0
187.10887	1.0
188.09230	3.7
192.02327	1.1
195.07776	2.6
212.05656	57.9
213.04211	1.1
213.05965	5.2
213.08817	10.8
230.01309	2.4
230.06702	47.9
231.05069	1.5
231.07051	3.1
231.09850	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	231.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58831	0.2
55.91782	0.2
59.01381	100.0
60.01718	1.2
69.97449	1.6
72.99286	0.3
80.12298	0.3
83.05055	0.3
87.92572	0.3
88.04028	0.3
98.20652	0.4
99.04552	0.4
101.06051	0.3
102.05653	0.3
111.04543	3.6
121.29071	0.3
122.13963	0.3
127.07702	0.5
129.05600	10.3
130.05946	0.5
147.06656	0.7
164.46942	0.3
171.06642	3.0
187.04088	0.3
189.07712	9.5
190.08063	0.6
231.06670	0.5
231.08679	0.6
231.12415	0.7
232.06499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1391
Annotation	Caespitenone
Peak:m/z	Relative Intensity
50.05332	0.3
56.33639	0.3
59.01379	3.6
61.40054	0.3
61.98829	0.4
71.01372	0.5
107.20212	0.3
117.92319	0.3
123.94666	0.6
125.02476	0.4
142.11656	0.3
157.06580	1.8
159.89380	0.5
162.39085	0.3
169.01459	0.9
171.08128	0.6
173.09732	10.7
174.10075	1.0
175.81746	0.3
176.66721	0.3
187.11301	9.1
188.08427	0.5
188.11620	0.9
211.31754	0.3
215.10783	1.1
216.11562	30.0
217.11905	3.7
231.13908	100.0
232.06268	0.4
232.14230	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	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.5
59.01334	1.1
71.01351	0.4
71.04984	0.7
80.02692	2.2
81.03461	1.6
83.01371	0.6
83.05040	6.6
83.96645	0.3
84.02174	3.5
85.06557	0.3
93.03440	0.6
95.05033	1.5
97.06570	0.4
109.06558	0.5
111.04517	0.4
113.06035	0.4
114.43894	0.3
118.19369	0.3
125.06074	0.9
125.09718	0.8
135.08159	1.1
139.11354	0.3
147.11829	0.5
158.65399	0.3
163.11328	5.1
164.11565	0.6
165.12868	3.6
166.13155	0.4
181.06612	1.0
181.12393	0.8
183.13916	1.3
191.10867	1.4
196.78656	0.3
199.13406	1.6
209.06290	4.4
209.11853	100.0
210.06439	0.3
210.12184	11.2
219.94133	0.3
227.07173	17.7
227.09085	0.7
227.12906	8.5
227.16556	0.7
227.20137	2.1
228.07457	1.9
228.13257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0668
Annotation	Phenopicolinic acid
Peak:m/z	Relative Intensity
55.06636	0.8
56.05268	0.7
59.01363	1.1
66.76839	0.9
71.01393	7.7
83.08696	0.9
88.96475	0.8
93.03457	1.0
95.01389	1.9
99.00894	67.5
100.01256	1.9
104.17028	0.8
111.00912	0.9
116.05080	2.0
120.88982	0.8
121.02979	0.8
125.02438	1.5
125.06045	1.6
130.06641	37.8
131.06993	3.3
139.00415	1.9
140.05104	1.3
142.06650	100.0
143.06038	1.2
143.06990	7.8
146.54892	0.9
156.08220	6.0
166.06638	51.3
167.06941	4.8
184.07697	73.5
185.08080	6.0
194.07802	0.9
197.11787	1.0
201.12851	1.0
210.05676	1.9
210.12173	2.0
228.06673	59.2
228.20450	1.0
229.06969	5.7
229.12404	1.2
229.14427	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	229.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
58.00618	0.3
59.01377	1.1
67.01891	0.3
69.03456	0.4
71.01387	7.4
71.01762	0.5
71.05040	0.4
71.71128	0.3
71.71546	0.5
72.01724	0.3
73.02967	0.4
81.03448	0.5
83.05028	0.3
84.02177	4.6
94.96155	0.3
95.01375	0.7
95.05033	1.9
96.55509	0.3
97.02945	0.6
97.06606	30.9
98.06943	1.3
105.28575	0.3
107.05045	3.4
110.03764	1.4
111.00883	0.4
118.39909	0.3
119.05063	0.6
123.04530	0.6
125.06106	100.0
126.06445	6.6
141.05664	0.3
157.80276	0.2
169.01337	0.4
229.05132	0.4
229.08727	1.7
229.10823	2.9
229.14523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03452	0.5
62.97309	0.3
71.41136	0.6
97.18173	0.3
111.08195	1.0
124.06934	0.3
139.11348	0.3
141.61644	0.3
165.12865	20.5
166.13226	1.9
183.13919	100.0
184.14262	9.9
209.11815	3.1
227.12894	23.5
227.20154	0.9
228.13217	2.4
245.80006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.52639	0.2
59.01350	0.4
71.01347	0.3
71.05028	0.6
71.48048	0.5
80.02686	1.8
81.03482	2.0
82.77993	0.3
83.05035	6.6
84.02174	4.5
95.05025	1.1
125.06112	0.9
125.09683	0.3
127.11250	0.3
135.08191	0.9
147.11783	0.3
155.14456	0.3
163.11310	5.5
164.11691	0.4
165.12872	3.6
166.90071	0.3
181.12384	0.9
183.13885	0.6
191.10809	1.2
197.54568	0.3
199.13297	0.4
209.11844	100.0
210.12173	11.0
227.03094	0.5
227.12883	4.2
227.20110	0.7
228.13155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Loganetin
Peak:m/z	Relative Intensity
50.15641	0.9
57.03446	6.3
59.01368	2.0
67.01882	1.3
68.99830	1.0
69.03458	1.5
69.85252	6.6
71.01387	1.2
79.05543	3.7
80.02698	1.1
83.01390	2.4
84.02172	3.7
85.02962	16.3
93.03461	1.6
93.07111	1.8
95.01402	1.1
95.05027	7.0
96.05360	0.9
97.06605	30.8
98.03749	7.8
98.06956	1.6
105.07121	1.9
106.04305	1.2
107.05054	5.0
108.02162	1.7
109.06599	2.0
110.03700	1.3
111.00883	6.5
111.04532	1.0
111.08176	12.7
112.93722	1.1
121.06606	4.9
123.00903	1.3
123.03704	1.8
123.04549	21.3
123.08157	3.3
124.01720	1.3
124.05327	3.2
125.06082	3.0
125.09712	2.0
129.01970	27.4
130.02248	1.2
134.03758	1.9
135.08234	4.6
137.06081	2.3
137.09708	1.2
139.07675	90.3
140.08009	5.5
149.04890	1.4
149.06107	27.0
150.06470	1.3
151.07655	2.4
153.09200	3.4
163.07603	1.7
167.07161	100.0
168.07486	9.7
179.07106	1.4
181.08699	2.2
191.07117	1.3
209.08255	9.2
227.00490	1.4
227.09253	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Stagonolide
Peak:m/z	Relative Intensity
51.98853	0.8
57.03461	1.2
59.01379	13.1
59.71642	0.9
61.98841	1.4
62.91840	1.0
65.89146	0.8
66.22997	0.7
71.31313	0.8
83.05032	1.3
93.03481	4.1
95.05000	0.9
97.02978	6.6
99.00880	3.2
108.02177	1.1
109.02962	1.7
109.06635	4.8
110.03756	3.0
110.04506	0.9
111.04513	1.8
111.08082	1.0
123.08198	1.1
125.09766	1.1
126.90600	1.1
127.55865	1.0
127.56707	1.1
135.08145	1.4
136.05275	1.2
137.02440	3.8
137.04291	1.0
137.09781	2.7
138.01982	1.5
142.02736	5.2
150.35582	0.9
153.12863	3.2
163.11313	11.8
165.01967	2.6
181.01451	1.1
181.12349	30.5
182.12675	2.3
183.10292	12.6
195.03056	1.5
195.06654	1.9
197.11885	3.6
206.99449	1.7
207.10275	57.1
208.10596	8.8
210.05350	2.5
224.90469	1.1
225.00385	1.7
225.04004	1.7
225.11322	100.0
226.11635	11.8
240.64616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73695	0.2
55.91228	0.2
60.07565	0.2
70.86243	0.5
104.51577	0.3
117.20383	0.2
130.93718	0.2
133.21655	0.2
156.88934	0.2
181.12366	100.0
182.12689	9.3
225.11336	32.7
226.11685	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	223.0978
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01382	17.6
61.98833	0.7
70.53034	1.7
71.01398	0.9
83.05054	0.8
85.02985	0.9
101.02489	1.4
108.88671	0.5
110.33074	0.5
119.05083	0.6
136.01685	0.7
137.02455	0.9
163.03944	0.7
163.06172	1.9
165.01988	0.7
179.10811	100.0
180.11191	9.7
192.99762	0.6
193.01382	2.7
205.08636	1.3
205.12367	3.1
208.03751	3.9
223.06174	1.8
223.09784	24.3
223.13370	1.7
224.10083	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	223.1341
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.27818	0.7
57.03464	2.0
59.01379	18.3
61.07307	0.7
69.03460	6.2
70.03799	0.9
70.91213	1.6
71.05020	2.2
80.35442	0.8
83.05008	1.1
85.06583	2.0
89.02447	0.7
89.41203	0.7
90.87531	0.7
101.02444	1.0
108.05829	1.4
109.06628	1.8
112.04625	0.8
125.09772	1.3
159.63750	0.8
161.13371	1.6
163.06154	2.7
167.10786	7.6
177.12898	1.4
178.62595	0.8
179.10806	2.8
179.14442	9.5
180.14795	1.0
189.38179	0.8
195.13911	26.0
196.14233	2.8
205.12338	21.5
205.14270	1.2
206.12743	2.3
208.03737	2.1
223.13403	100.0
224.13741	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	225.1134
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01387	0.8
82.21428	0.2
93.03500	0.3
106.32774	0.1
107.83447	0.1
121.10260	0.3
122.41434	0.1
137.09801	0.1
153.12796	0.1
157.57645	0.1
160.91347	0.1
165.09232	0.2
181.12367	100.0
182.12695	10.7
183.10294	1.2
225.11334	26.6
226.11667	3.0
249.56639	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0302
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
53.29482	1.0
54.43209	1.0
55.63496	1.0
59.01381	45.8
60.99305	13.2
65.02429	1.2
70.64886	3.8
71.01383	6.2
72.99314	100.0
73.02956	2.9
73.99666	2.2
75.00880	11.9
76.98830	2.1
85.02957	3.6
87.00900	11.1
89.02458	15.6
91.02250	1.8
97.54279	1.2
98.00169	1.3
99.00906	2.2
99.04584	1.6
101.02468	2.9
103.04027	2.0
105.01960	4.7
113.02441	1.4
115.00392	19.3
117.22172	1.2
127.00395	1.2
128.91748	1.3
131.03546	2.2
133.01448	38.0
145.01451	10.0
161.04617	4.5
177.04204	1.8
221.06696	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	221.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.6
57.03471	1.7
59.01382	88.7
60.01719	1.6
60.99311	15.7
63.71219	0.7
64.95229	0.9
65.02437	0.9
68.21681	0.7
71.01385	13.0
71.70397	0.7
72.99314	100.0
73.02944	7.8
73.99650	1.8
75.00880	16.6
76.98804	1.3
78.66862	0.6
81.03445	0.9
83.01392	3.0
85.02951	7.1
87.00887	16.1
88.98803	0.7
89.02456	17.3
95.01401	0.9
97.02953	2.7
99.00884	5.2
99.04510	1.6
101.02462	6.3
103.00380	0.8
105.01944	4.7
111.00870	2.3
113.02463	4.2
115.00388	25.5
116.00642	0.9
117.01918	2.6
127.00343	1.1
129.01990	3.0
131.03497	4.1
133.01451	33.0
134.01738	1.3
138.72914	0.8
141.01924	1.5
143.03452	1.1
145.01451	13.2
147.02992	2.1
149.06026	0.6
159.02939	1.8
161.04584	8.2
163.02515	0.6
177.04124	3.5
203.01851	2.9
221.02904	1.8
221.06636	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	223.0613
Annotation	Calaminthone
Peak:m/z	Relative Intensity
59.01379	17.0
64.02578	0.4
64.36039	0.3
71.55405	0.7
72.99310	2.7
85.02964	1.2
93.03461	0.8
94.06752	0.4
107.05106	0.4
119.05044	100.0
120.05381	7.1
121.02943	0.4
121.88539	0.3
134.03763	0.4
135.04549	10.1
136.04861	0.8
147.98285	0.3
163.04031	35.6
164.04359	3.0
181.05089	47.3
182.05394	4.2
193.01448	0.4
208.03781	0.4
223.06146	1.0
223.13376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.1
59.01380	100.0
60.01718	2.6
68.99815	1.8
69.03461	2.0
69.73653	8.5
69.74059	2.8
71.01389	17.8
71.05028	5.7
72.01731	1.6
72.99308	18.1
73.02975	1.6
75.00887	3.8
76.43505	1.4
81.03471	6.0
82.03815	1.7
83.01392	13.0
83.05013	2.5
83.58233	1.4
85.02959	7.4
85.06629	1.5
87.00883	9.3
87.02726	1.4
87.04536	3.6
88.04046	14.6
89.02480	3.6
89.04385	4.7
92.05067	3.0
97.02953	7.5
99.00909	8.2
99.04549	8.3
103.00385	12.4
111.00899	2.4
113.02455	1.7
113.06145	2.1
115.00383	3.3
115.04034	7.9
116.05048	1.7
120.04574	2.6
123.08205	1.5
125.02473	24.5
125.09735	1.8
126.02837	1.5
127.00385	2.5
128.05092	2.4
129.02020	3.6
130.06650	8.4
131.03790	6.5
132.04562	19.9
133.05092	66.0
134.05414	3.4
142.99947	2.8
143.03534	4.9
144.04570	5.3
146.06102	5.1
146.08211	3.2
147.08586	6.1
157.05035	2.1
158.06134	24.8
159.03017	8.2
159.06630	4.7
173.11856	4.1
174.05605	16.7
175.06229	1.9
176.03514	2.9
176.07224	3.6
184.04033	2.4
184.90273	1.5
187.02493	11.3
202.05179	3.2
219.05103	5.3
219.08702	2.8
219.10628	5.0
219.12418	27.8
219.17458	2.9
220.04126	2.9
220.06180	35.5
220.08290	3.0
220.12643	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	219.1392
Annotation	Glutinosone
Peak:m/z	Relative Intensity
55.01882	0.3
59.01376	0.9
70.59716	0.7
70.60077	0.2
89.40880	0.2
115.05556	0.3
143.05072	0.8
145.04968	0.2
148.05350	0.6
158.06189	0.2
159.04584	0.3
161.06111	70.1
162.05075	0.3
162.06451	5.7
175.03960	0.2
175.07690	1.0
176.08453	30.1
177.05577	0.2
177.08850	3.7
191.10809	5.1
192.11153	0.6
208.07420	1.5
209.07649	0.3
217.12408	0.2
219.13918	100.0
219.17487	5.7
220.14252	12.1
220.17863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.1
59.01380	100.0
60.01718	2.6
68.99815	1.8
69.03461	2.0
69.73653	8.5
69.74059	2.8
71.01389	17.8
71.05028	5.7
72.01731	1.6
72.99308	18.1
73.02975	1.6
75.00887	3.8
76.43505	1.4
81.03471	6.0
82.03815	1.7
83.01392	13.0
83.05013	2.5
83.58233	1.4
85.02959	7.4
85.06629	1.5
87.00883	9.3
87.02726	1.4
87.04536	3.6
88.04046	14.6
89.02480	3.6
89.04385	4.7
92.05067	3.0
97.02953	7.5
99.00909	8.2
99.04549	8.3
103.00385	12.4
111.00899	2.4
113.02455	1.7
113.06145	2.1
115.00383	3.3
115.04034	7.9
116.05048	1.7
120.04574	2.6
123.08205	1.5
125.02473	24.5
125.09735	1.8
126.02837	1.5
127.00385	2.5
128.05092	2.4
129.02020	3.6
130.06650	8.4
131.03790	6.5
132.04562	19.9
133.05092	66.0
134.05414	3.4
142.99947	2.8
143.03534	4.9
144.04570	5.3
146.06102	5.1
146.08211	3.2
147.08586	6.1
157.05035	2.1
158.06134	24.8
159.03017	8.2
159.06630	4.7
173.11856	4.1
174.05605	16.7
175.06229	1.9
176.03514	2.9
176.07224	3.6
184.04033	2.4
184.90273	1.5
187.02493	11.3
202.05179	3.2
219.05103	5.3
219.08702	2.8
219.10628	5.0
219.12418	27.8
219.17458	2.9
220.04126	2.9
220.06180	35.5
220.08290	3.0
220.12643	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	218.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39959	0.4
55.01877	0.4
59.01379	21.9
60.01700	0.8
65.99854	0.7
66.03487	1.3
71.01387	12.7
71.05024	16.1
71.32417	1.0
72.00917	0.6
72.05344	0.4
72.99310	1.2
73.02938	0.6
75.00876	1.8
80.96591	0.4
81.03504	0.4
83.01384	0.6
85.02970	0.6
86.02496	0.5
87.00877	1.4
88.04049	91.3
89.04393	1.6
90.03498	3.6
91.01908	0.6
92.05083	1.6
97.02949	1.0
99.00925	0.6
99.04531	5.7
101.02473	0.8
103.00394	1.3
112.57257	0.4
115.04010	1.2
116.03498	0.5
116.07188	2.2
118.03008	40.9
119.03358	2.5
123.85905	0.4
125.02442	1.2
127.32469	0.4
129.05573	1.1
130.06601	1.0
130.09547	1.0
131.01746	1.5
131.03694	0.4
133.05084	12.4
136.04053	3.6
144.04552	1.4
146.02498	96.3
146.08249	42.9
147.02832	6.8
147.08615	2.5
158.09099	0.5
159.02997	1.0
162.01982	1.8
164.03542	1.9
170.71657	0.4
172.05937	0.4
174.01982	100.0
174.05743	2.3
175.02457	9.9
175.09808	2.1
176.10156	3.8
187.02498	0.6
190.01479	2.5
204.04150	0.5
218.00948	21.7
218.04561	1.1
218.10333	27.8
219.01288	1.8
219.06720	0.5
219.10587	2.5
219.12460	1.6
219.17557	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	218.046
Annotation	6-Hydroxyindole-3-carboxaldehyde
Peak:m/z	Relative Intensity
59.01369	1.7
60.72805	0.3
61.63704	0.3
63.40372	0.3
65.99855	6.7
67.01889	0.3
67.58143	0.3
69.63913	2.7
72.99282	0.4
93.03477	1.1
94.04995	0.3
98.20564	0.7
103.04293	1.2
103.07834	0.3
108.02164	0.6
118.03027	2.7
118.06667	1.2
119.05049	0.4
128.05112	2.1
129.05852	0.7
130.03004	0.5
130.06651	15.6
131.03792	10.8
131.06967	1.3
132.04521	0.7
134.02481	0.4
144.04572	12.2
145.02989	0.3
145.04953	0.8
146.02527	1.6
146.06143	7.2
147.04474	0.4
147.06575	0.4
150.16794	0.3
158.02486	0.8
158.03711	0.7
159.03275	12.7
160.04077	12.6
161.04424	0.7
162.02002	0.5
172.04062	1.6
173.04823	1.0
174.05629	8.9
175.02769	1.4
175.06055	0.5
175.07591	0.4
176.10062	0.6
188.03528	1.7
190.05138	6.5
191.02240	3.0
191.05382	0.4
203.03040	0.5
204.04288	0.5
217.03789	0.8
218.04594	100.0
219.04919	10.9
219.06569	0.6
219.12352	0.7
219.17520	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	218.1036
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01880	0.7
59.01374	3.6
70.09200	0.4
71.01389	11.3
71.05029	17.0
71.28419	0.9
72.00898	0.6
72.04532	0.5
72.05360	0.5
75.00883	1.9
76.56779	0.4
78.93253	0.4
88.04053	100.0
89.04366	2.7
99.00851	0.4
99.04530	4.9
115.00399	0.4
116.03569	0.7
116.07170	2.4
118.03019	0.9
129.05600	1.1
144.04549	0.4
145.95177	0.4
146.02495	3.2
146.08257	46.0
147.08659	2.4
174.01947	2.8
174.05582	0.4
176.10114	0.9
193.81334	0.4
218.00970	0.7
218.10341	32.2
219.06659	0.8
219.10612	2.1
219.17564	2.4
232.68770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30050	0.5
59.01380	100.0
60.01715	1.8
71.01392	3.1
71.05024	3.1
71.70694	0.9
74.02477	0.7
85.02945	0.7
87.00904	0.9
88.04049	16.8
89.02467	1.9
90.97143	1.1
99.04514	0.9
116.07191	0.6
118.96646	0.8
129.09224	1.9
132.98213	3.2
143.11853	0.6
146.08255	9.2
157.08725	2.0
168.47948	0.5
174.99265	27.6
175.09773	13.1
175.11093	0.3
175.99608	1.1
176.10159	1.2
179.05678	0.8
187.10883	2.2
217.00302	33.5
217.12158	0.8
218.00638	2.1
218.10309	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03446	0.8
58.89684	0.3
59.01379	100.0
60.01709	1.8
71.00507	0.6
71.00838	0.4
71.05007	0.7
72.99326	0.7
97.06610	0.9
113.09737	7.0
118.02991	0.5
128.05104	0.6
129.05853	0.3
130.06642	4.5
130.07527	0.3
131.03749	0.7
139.07648	0.3
143.91435	0.3
144.04562	4.9
146.02559	0.5
146.06154	2.6
155.10805	1.1
157.08716	5.1
171.10312	1.4
172.04091	0.3
174.02115	0.4
174.05602	3.4
175.09828	0.5
175.11295	0.4
180.23909	0.3
190.05127	1.7
212.68732	0.3
217.04355	0.9
217.10562	2.6
217.12444	1.7
218.04584	1.0
218.12764	0.3
225.48572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98828	1.2
69.03455	0.7
71.01374	0.3
73.61134	0.3
83.05057	0.5
83.96527	0.3
90.36210	0.3
95.01405	1.0
109.02991	0.3
111.00922	0.4
123.00894	0.3
123.08195	0.4
124.04024	0.6
125.02506	0.3
125.04369	0.4
126.05630	0.4
137.02441	0.6
139.00406	0.4
139.03996	0.4
148.01726	0.4
151.06149	0.4
153.05603	1.0
155.10727	0.3
164.98352	0.6
165.12764	0.6
167.10796	1.1
167.14479	2.0
181.01486	0.7
181.05055	0.4
183.13919	11.8
184.14317	1.3
193.01434	0.3
193.12358	3.1
194.12619	0.6
196.03815	1.4
211.06108	1.2
211.13409	100.0
212.13742	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.19349	0.4
54.77692	0.4
59.01383	1.4
61.98838	3.7
65.15755	0.5
68.99804	0.5
69.03474	1.1
69.48346	4.5
76.70001	0.4
81.03472	0.5
83.05055	0.5
94.03033	0.5
95.01410	1.8
97.02958	0.7
111.00886	0.5
121.02955	0.6
121.92279	0.5
123.00895	0.8
123.04524	0.7
124.04053	1.4
124.08459	0.5
125.02478	0.8
125.04426	1.2
128.43301	0.4
136.98872	0.5
137.02417	0.5
151.06148	0.9
153.05606	1.5
155.10863	0.6
164.98309	0.8
167.06093	0.8
167.10767	0.7
167.14391	2.1
181.01442	2.0
181.05055	0.9
183.13930	12.2
183.92354	0.5
184.14291	1.3
192.97849	0.6
193.05103	0.5
193.12361	3.3
196.03784	2.3
210.95018	0.4
211.06096	2.8
211.13422	100.0
212.09346	1.0
212.13760	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	210.9653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
65.00331	0.3
67.01897	5.0
67.51871	0.1
67.76850	0.1
68.02230	0.2
71.01391	0.3
71.70930	0.2
75.00876	0.6
83.01400	0.3
84.13116	0.1
85.02956	1.5
93.84017	0.1
102.94403	0.4
111.00902	100.0
112.01239	4.3
112.89624	0.2
114.14943	0.2
129.01932	0.2
131.02440	0.3
135.03014	1.5
136.98831	2.1
141.04103	0.2
143.48257	0.2
148.96478	0.5
154.99861	0.3
166.97543	40.2
167.97873	1.6
168.99916	0.3
169.92839	0.2
184.98543	0.2
185.03073	1.4
192.95468	3.7
193.95714	0.2
210.96523	4.0
211.01018	0.9
211.07176	0.9
211.96751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01371	0.6
60.17363	0.3
61.98812	1.1
64.82517	0.3
67.03122	0.4
69.03461	0.9
71.01383	0.4
75.52558	0.3
83.05032	0.6
95.01416	0.7
101.02496	0.4
102.10887	0.4
123.00900	0.9
124.04034	0.4
125.02431	0.4
125.04447	0.6
125.74920	0.3
134.50584	0.4
137.02438	0.4
149.83661	0.4
151.06129	0.4
151.11295	0.5
153.02092	0.3
153.05542	0.7
164.98315	0.7
165.12871	0.7
167.10815	0.9
167.14452	1.8
181.01447	1.3
183.13928	12.9
184.14265	1.2
193.12325	3.1
194.12732	0.6
196.03773	1.4
211.06134	1.1
211.13411	100.0
212.13768	10.7
230.38672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61959	0.2
55.01875	0.2
57.03454	0.3
59.01378	5.4
61.40345	0.3
61.98834	3.3
66.03503	0.3
69.03468	0.2
69.97083	0.2
70.57861	0.7
71.01378	0.3
72.02174	0.6
74.20795	0.3
81.03478	0.4
83.05024	0.3
85.02946	0.6
85.03620	0.2
85.06606	0.3
89.02470	0.2
93.03479	0.6
94.03001	2.0
97.06612	0.5
104.19444	0.3
111.00925	0.3
121.02975	11.3
122.03255	0.6
123.08184	7.7
124.04060	5.8
124.08511	0.3
137.02446	0.4
137.06078	0.7
137.09737	0.9
151.04068	0.3
151.07669	0.3
163.11278	0.6
165.05559	0.5
165.09216	1.2
165.12869	4.4
166.13235	0.5
167.14464	1.4
173.90596	0.3
179.03532	0.8
181.12321	0.5
181.16020	1.1
183.13950	0.7
191.10864	0.3
191.14461	0.3
194.02184	0.6
194.05910	0.6
209.04590	2.5
209.08226	1.4
209.11906	6.1
209.15483	100.0
209.94923	0.5
210.07692	0.8
210.12460	0.5
210.15825	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1549
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
59.01381	4.5
61.98822	0.7
68.24477	0.2
70.85844	0.6
71.01362	0.3
72.02165	0.4
73.02922	0.4
81.03461	0.3
83.05042	0.3
85.02939	0.5
85.06600	0.4
93.03456	0.4
94.02998	1.3
96.95998	0.3
109.02969	0.7
121.02137	0.5
121.02979	8.4
122.03304	0.5
123.08184	8.6
124.04068	3.7
124.08436	0.3
135.04578	0.3
137.06114	0.7
137.09738	0.9
151.07661	0.3
163.11356	0.3
165.05594	0.5
165.09227	1.0
165.12871	4.1
166.13202	0.7
167.14476	1.1
168.14772	0.3
177.09180	0.2
179.03587	0.3
181.12410	0.2
181.15988	1.1
183.13954	0.9
191.14366	0.4
194.02240	0.3
194.05888	0.3
198.09122	0.3
209.04623	1.1
209.11932	4.6
209.15482	100.0
210.07855	0.5
210.12454	0.5
210.15823	12.3
229.31993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01381	4.9
61.98820	0.8
64.19308	0.2
71.01391	0.2
71.41594	0.4
72.02164	0.7
81.03472	0.3
85.02953	0.5
85.06605	0.5
89.02473	0.2
93.03458	0.3
94.03003	1.2
107.05032	0.2
121.02974	5.7
122.03306	0.4
123.08179	9.2
124.04049	2.9
124.08487	0.7
135.04568	0.3
137.02440	0.3
137.06085	0.4
137.09732	1.0
149.09749	0.3
151.07674	0.3
163.11374	0.3
165.09235	1.2
165.11554	0.4
165.12872	5.0
166.05923	0.2
166.13197	0.5
167.14427	1.4
179.03532	0.3
181.12566	0.2
181.16064	0.9
183.13899	0.8
191.14452	0.5
194.02127	0.2
194.05884	0.4
209.04619	1.4
209.11960	3.8
209.15472	100.0
210.04927	0.2
210.07816	0.3
210.12492	0.4
210.15808	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	209.1548
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.97569	0.3
55.61715	0.3
57.03441	0.6
59.01384	5.7
61.98831	6.2
65.39851	0.4
66.03488	0.7
69.03436	0.3
71.01381	1.2
72.02184	0.5
72.99309	0.3
81.03468	0.6
83.05017	0.5
84.26139	0.3
85.02948	0.9
85.06573	0.4
89.02453	0.6
92.99827	0.3
93.03467	0.8
94.03000	3.3
96.22797	0.3
97.06609	0.4
98.20675	0.6
109.02968	0.5
121.02975	23.0
122.02522	0.4
122.03318	1.2
123.00924	0.4
123.08181	12.1
123.09097	0.6
124.04063	9.6
124.08479	0.4
137.02469	0.5
137.06129	0.5
137.09727	0.6
151.04013	0.5
151.07658	0.5
163.11324	0.5
164.17107	0.4
164.98276	0.3
165.01974	0.4
165.05524	0.9
165.09251	1.0
165.12857	5.3
166.13246	0.5
167.06125	0.4
167.14417	1.2
170.04567	0.4
178.99849	0.7
179.03532	0.9
181.05138	0.5
181.15988	0.9
183.13918	1.0
191.14471	0.6
194.02217	1.1
194.05844	0.7
209.00844	0.6
209.04601	4.1
209.08319	2.2
209.11896	7.4
209.15477	100.0
209.94991	1.8
210.07722	1.1
210.12389	0.6
210.15829	11.8
219.58627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01881	2.4
57.03452	2.1
59.01382	1.0
61.98845	0.9
66.03506	0.2
66.36925	0.1
67.01919	0.3
68.99821	0.2
69.03445	0.9
69.58427	1.6
71.01392	0.6
71.05028	0.7
72.01402	0.2
80.02696	0.6
81.03466	4.4
81.03922	0.3
83.01397	24.4
83.05040	3.0
84.01716	0.6
84.02184	1.1
84.05382	0.2
89.02493	0.2
91.01907	0.2
91.81108	0.2
92.99838	0.2
93.03485	0.5
94.02991	1.5
95.05027	1.4
97.02969	0.3
97.06605	4.2
97.07194	0.3
98.06925	0.2
99.00892	0.3
99.04523	0.2
106.04269	0.3
107.05110	0.3
108.02195	0.3
109.06602	0.6
111.08185	0.6
120.02184	0.2
121.02975	13.3
122.03236	0.9
123.04541	0.2
123.08181	2.3
124.04057	4.1
124.08450	0.2
125.06091	0.3
125.09747	22.3
126.10077	1.3
134.03709	0.2
135.04553	0.2
135.08205	2.0
136.01685	0.3
137.02435	0.2
137.06085	0.5
142.02792	0.3
145.10304	0.2
147.11877	1.0
148.12233	0.2
149.06145	0.2
149.09697	0.3
151.07655	0.3
151.11348	0.2
153.12912	0.3
160.86548	0.2
161.09792	0.4
163.11313	9.1
164.11638	1.2
165.05626	0.2
165.09245	0.3
165.12866	3.0
167.10791	1.0
169.08655	0.2
173.09717	0.2
178.99884	0.2
179.03499	0.3
181.12375	1.7
191.10794	7.6
192.11139	0.7
194.02142	0.3
194.05957	0.4
209.04668	2.0
209.11844	100.0
210.07768	0.5
210.12181	10.3
212.45464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01384	1.4
61.98844	0.3
69.41750	2.9
70.11123	0.3
71.01379	0.5
72.54910	0.3
81.03490	0.3
83.05037	0.5
85.02954	0.9
89.02464	0.3
94.02995	1.3
97.06597	0.5
107.05046	1.5
109.06573	0.3
113.00300	0.2
121.02973	8.1
121.06621	0.6
122.03302	0.7
123.08183	100.0
124.04068	3.3
124.08515	6.5
129.01938	0.4
137.06090	0.6
138.03246	0.3
149.05028	0.4
149.09740	0.6
163.11333	0.6
165.05603	1.7
165.12872	25.1
166.05940	3.6
166.13208	2.5
167.06190	0.4
181.12363	6.3
182.12697	0.6
191.10715	0.3
194.02185	0.4
209.01003	0.3
209.04570	1.3
209.06595	0.9
209.08357	1.0
209.11847	41.3
210.07808	0.3
210.12192	5.2
224.50050	0.3
226.52954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	92.7
60.01711	0.9
69.66121	3.2
69.66553	3.0
71.27026	0.8
72.99316	6.7
89.48591	0.7
109.37450	0.7
119.05054	10.0
119.68649	0.6
120.05455	1.0
130.74809	0.7
145.39282	0.8
146.76300	0.8
147.04550	100.0
148.04884	8.8
165.05597	91.6
166.05940	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	209.0667
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
53.21083	0.7
55.01882	3.4
57.03448	28.6
58.00588	1.8
58.03791	1.2
59.01086	1.3
59.01377	21.1
68.99810	1.8
69.03442	0.8
71.01388	14.8
71.46844	1.0
71.47204	1.1
71.74748	0.6
72.99309	2.2
73.02950	2.6
75.00862	1.1
83.01388	7.8
84.02171	6.8
85.02958	74.3
86.03291	2.5
87.00883	30.2
87.04507	1.3
88.01205	0.7
89.02469	5.4
97.02960	2.4
97.74123	0.7
99.00892	9.1
101.02464	4.1
111.00892	9.3
112.98823	18.0
115.04027	0.9
119.03504	0.7
124.98818	2.6
129.01958	43.0
130.02298	2.6
131.03490	0.9
138.12798	0.7
140.98325	1.0
141.01949	3.9
142.99881	64.6
144.00233	3.5
159.03012	11.4
165.07690	0.7
166.05106	0.8
173.00922	19.4
174.01329	1.3
179.03532	0.9
191.01976	1.8
191.05525	1.1
208.98639	1.4
209.06679	100.0
210.07019	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	12.6
57.03451	8.4
57.07010	2.1
58.00600	2.5
59.01382	88.4
68.99814	9.1
71.00989	4.7
71.01386	95.9
71.10616	7.0
72.01711	2.8
72.99316	52.5
73.02943	13.0
75.00881	42.7
83.01385	18.2
85.02971	7.3
87.00883	45.7
89.02463	10.2
96.99314	7.4
99.00893	54.6
99.01516	3.4
100.01246	2.1
100.98845	3.8
101.02469	10.5
103.00388	7.8
104.30488	2.1
108.96668	2.5
111.00909	20.2
112.98830	64.0
113.99148	3.9
115.00387	100.0
117.01949	16.7
124.98841	13.3
127.00357	15.8
129.01950	19.8
133.01453	2.3
142.99878	25.2
145.01448	24.8
154.99913	15.7
155.29662	2.2
157.01312	3.0
173.00932	6.4
175.02443	11.6
189.40288	2.2
191.69478	2.3
205.03510	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	205.0872
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.10405	0.2
55.01876	0.2
56.61238	0.2
57.33847	0.1
59.01381	2.0
66.12594	0.2
68.99814	0.3
71.01392	1.6
72.99331	0.8
73.02951	0.3
75.00883	0.4
78.74249	0.2
83.01404	0.2
85.02955	0.2
86.33189	0.1
87.00898	0.8
99.00891	0.7
103.00375	0.1
111.00880	0.3
115.00407	2.2
117.01961	0.3
124.98839	0.4
127.00352	0.2
129.01961	0.3
141.05376	0.1
142.99860	0.7
145.01419	0.4
145.06599	0.2
151.07663	0.2
154.99939	0.2
159.06520	0.2
161.09755	5.7
162.10078	0.5
163.07794	0.2
175.02560	0.2
175.04022	0.4
177.05518	0.2
177.57536	0.1
187.07692	0.4
189.05598	12.3
190.06270	2.5
191.06638	0.1
198.15251	0.1
205.08716	100.0
206.09058	11.1
222.05344	2.6
223.05719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01381	6.8
61.98832	100.0
62.98543	0.2
62.99279	0.1
65.22958	0.1
71.01399	0.3
72.99319	0.2
75.00891	0.3
75.57324	0.1
79.81915	0.1
85.02959	0.1
99.00894	0.2
119.05040	0.4
129.01968	0.8
147.03047	0.8
147.04536	3.1
149.02490	0.2
162.98494	1.3
164.96393	0.7
165.05579	2.4
166.05966	0.3
177.01955	0.9
177.93666	0.1
192.04306	1.5
206.97456	10.0
207.02916	0.3
207.06610	0.7
207.10295	0.2
207.97598	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	207.0513
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
51.82364	0.6
55.01878	4.8
57.03467	0.7
58.25042	0.6
59.01381	100.0
60.01711	1.7
61.98827	1.4
63.69146	0.5
68.99828	1.5
70.48231	2.1
70.48635	0.9
71.01386	18.4
71.17626	0.6
72.99329	1.8
73.02955	27.7
75.00883	8.8
76.25356	0.6
83.01428	1.3
85.02962	2.7
87.00882	7.0
89.02448	5.3
98.19998	0.8
99.00897	16.8
99.01511	0.9
101.02463	10.5
103.04031	3.0
115.00394	1.5
117.01955	10.0
119.03543	2.4
120.85960	0.6
127.00420	1.8
129.01950	7.2
135.03020	10.3
136.94043	1.6
146.87958	0.6
147.03018	22.3
148.03403	1.4
185.44568	0.6
189.00514	0.9
207.05109	6.2
207.06717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0356
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
54.28075	1.1
55.01882	6.2
55.50612	1.0
57.03448	4.4
58.00595	2.4
59.01383	100.0
60.01709	1.5
60.99303	1.9
67.01912	2.6
68.99821	8.5
69.03463	2.0
70.55423	4.4
70.55785	1.8
71.01389	75.4
71.05046	3.8
72.01704	1.8
72.99316	51.7
73.02953	14.6
73.99642	1.1
74.08407	1.0
75.00880	33.1
81.03484	6.5
81.99554	1.1
83.01392	12.6
83.05039	6.5
84.99303	1.4
85.02962	8.7
87.00888	37.3
87.04544	1.3
89.02456	6.6
96.99335	5.7
97.02957	1.4
97.06584	1.4
99.00892	36.2
99.01520	2.4
99.04533	8.8
100.98843	1.6
101.02452	12.6
103.00413	7.6
110.57124	1.1
111.00908	31.8
112.98831	14.2
113.02447	1.3
115.00390	84.6
115.04012	8.2
116.00718	3.2
117.01966	11.7
124.98811	10.6
125.01615	2.4
125.02474	28.5
125.06119	1.6
127.00393	7.3
127.04032	2.7
129.01956	14.7
130.02361	1.1
130.26750	1.5
131.03531	2.7
133.01447	1.6
142.99890	20.5
143.03511	5.5
143.07135	2.7
145.01442	21.9
145.05077	11.0
146.05431	1.3
154.99892	14.7
156.00209	1.2
157.01447	4.0
159.03087	2.7
160.03815	1.5
161.04428	7.8
163.06154	3.4
169.01509	2.4
173.00951	7.8
175.02473	8.7
187.02507	5.9
187.06160	6.6
187.07622	1.3
205.03549	22.0
205.05396	1.6
205.07176	4.6
205.08977	1.7
206.03949	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	204.0668
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
53.81067	0.3
54.40965	0.4
59.01386	3.2
71.01392	2.9
71.71169	0.8
72.81324	0.3
72.99315	22.8
73.99676	0.4
75.00876	2.4
86.90062	0.3
87.00900	1.4
99.00906	1.0
115.00367	3.1
116.05082	25.1
117.01982	0.5
117.05421	2.0
124.98791	0.4
128.05083	14.6
129.02051	0.5
129.05408	1.3
130.06650	18.3
130.88689	0.4
131.06961	1.6
132.04594	2.4
142.06645	24.5
142.99896	0.4
143.07024	2.1
144.04546	2.9
146.06145	1.2
154.99908	0.6
156.04556	0.7
157.05354	0.9
158.06134	71.7
159.06480	6.3
172.04088	2.5
173.04398	0.4
186.05627	27.4
187.05977	2.5
204.06670	100.0
205.05066	3.1
205.07010	11.2
205.12392	0.5
205.16043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69863	0.3
68.57610	0.3
68.94216	0.3
71.53936	0.5
72.99316	19.0
75.00890	1.3
76.20104	0.3
87.83923	0.3
92.09502	0.3
107.04379	0.3
116.05079	24.7
117.05418	1.5
118.23171	0.3
128.05083	11.6
129.05440	0.9
130.06650	14.8
131.06998	0.7
132.04575	2.4
133.49155	0.4
140.05051	0.6
142.06645	20.5
143.07014	2.0
144.04582	2.7
146.06136	0.5
156.04610	0.6
157.05324	0.9
158.06133	62.1
159.06461	6.1
160.07764	0.5
172.04056	2.7
181.15855	0.3
186.05623	25.7
187.06024	2.1
202.05180	0.4
204.06670	100.0
205.07007	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	204.0667
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
51.73058	0.4
55.95271	0.5
66.64433	0.4
71.20404	1.1
72.99315	21.3
73.99637	0.4
75.00883	2.1
102.69069	0.5
103.88139	0.4
113.95084	0.4
116.05076	26.1
117.05434	1.7
128.05090	13.2
128.06061	0.5
129.05431	1.0
130.06641	16.6
131.06996	1.2
132.04605	2.8
140.05064	0.9
142.06644	24.0
143.07027	2.0
144.04533	2.6
146.06116	0.7
156.04538	0.7
157.05284	0.5
158.06133	68.9
159.06459	6.5
172.04033	2.5
173.04375	0.5
186.05620	28.3
187.05977	3.3
204.06668	100.0
205.07002	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	204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.5
59.98490	0.1
60.01715	2.2
60.02019	0.2
60.59060	0.1
61.01814	0.9
61.98833	100.0
62.98540	0.2
63.91250	0.1
71.01405	0.2
71.02907	0.2
71.68543	0.1
72.99326	0.1
84.79044	0.1
99.00903	0.2
100.03199	0.1
115.00432	0.4
142.99928	0.1
146.03749	0.1
150.39334	0.1
159.03362	0.1
160.03777	0.2
161.02586	0.1
162.01706	0.1
197.02296	0.1
204.00038	1.3
204.02705	1.2
205.03152	0.1
205.05066	1.3
205.08786	0.2
205.12267	0.2
205.16025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0304
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
59.01389	1.8
61.11814	0.2
65.99854	0.2
67.07313	0.2
71.01386	1.4
71.06695	0.4
71.07052	0.3
72.99316	1.0
73.02956	0.3
75.00901	0.6
78.19360	0.2
80.04401	0.2
87.00909	0.7
96.99326	0.2
99.00916	0.9
111.00950	0.4
115.00385	1.6
118.03020	2.6
124.98843	0.5
129.01985	0.2
131.03802	1.4
132.04581	6.8
133.04967	0.3
142.99884	0.3
145.01488	0.4
154.99831	0.2
159.03281	26.8
160.04066	100.0
161.04410	7.6
175.02737	0.7
204.03038	7.2
204.06667	0.3
205.03351	0.7
205.05139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
55.80223	0.6
59.01382	9.7
69.84651	3.9
69.85072	1.3
71.01366	0.7
72.00910	25.2
72.55450	0.6
74.02478	32.1
75.00894	0.7
75.02822	1.1
112.98782	0.8
116.05077	100.0
117.05417	6.2
129.05911	0.9
130.06618	2.8
142.06641	28.6
143.07016	3.5
157.07726	0.8
159.09299	20.6
160.04137	1.0
160.09651	1.7
161.04813	1.2
172.63245	0.7
186.05579	4.1
198.79243	0.6
203.08272	80.6
204.08592	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	203.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52654	0.2
59.01380	100.0
60.01711	1.6
70.77197	0.5
70.77597	0.5
71.01385	0.5
72.99320	1.0
83.05035	0.4
97.06586	0.3
99.08170	6.9
99.08798	0.4
100.08506	0.4
103.92062	0.3
110.49102	0.2
116.05076	1.6
116.05806	0.3
125.06093	0.5
128.05095	0.7
130.06662	0.7
131.06984	0.3
132.04568	0.3
142.06596	1.3
143.07162	5.3
144.07489	0.4
145.04959	0.2
158.06131	4.0
159.06487	3.1
161.08258	0.7
164.72163	0.2
175.05991	0.8
186.05701	1.1
203.03600	0.3
203.05447	0.5
203.09236	0.4
204.06680	4.5
215.55713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	84.2
60.01718	1.3
69.03451	0.6
71.71382	0.4
77.69587	0.3
78.48852	0.4
86.31500	0.3
87.04546	0.7
103.89162	0.3
104.19855	0.3
111.08192	0.7
113.09744	29.8
114.10061	1.6
130.06712	0.6
139.11295	0.8
141.09245	18.4
142.09590	1.1
145.29210	0.3
146.06171	0.4
157.08780	0.5
157.12367	1.1
158.06171	2.9
159.10297	100.0
159.87880	0.3
159.89461	0.4
160.10637	7.0
164.21904	0.3
173.06082	0.9
174.05568	0.5
201.04053	0.4
201.05615	1.5
201.09419	0.6
201.11359	2.7
201.15022	0.9
202.05107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	14.7
55.01869	6.7
57.03456	13.9
58.61727	1.3
59.01382	100.0
59.99785	1.5
60.01720	2.5
61.98812	1.9
68.99829	7.9
71.01388	64.9
71.12519	3.3
72.00920	27.3
72.99323	7.5
73.02946	5.4
74.02483	35.0
75.00882	57.2
75.02833	1.8
80.68201	1.5
80.99820	11.5
83.01396	15.2
85.02959	14.3
89.02448	5.7
93.73246	1.3
96.99307	4.9
97.02972	2.1
98.00116	32.5
99.00900	57.6
99.08185	6.2
100.01261	2.0
101.02468	24.4
102.02752	1.7
103.92031	2.3
112.98830	74.7
113.02463	47.7
113.99131	2.3
114.02792	2.1
116.05083	98.8
117.01973	12.9
117.05402	6.5
125.99673	2.5
129.01981	4.1
130.06660	3.2
131.03522	51.6
132.03809	2.0
140.98328	59.2
141.98692	4.1
142.06653	28.1
143.07161	8.8
145.01428	14.2
157.07718	1.7
158.06088	2.6
158.99391	14.1
159.03221	5.4
159.09306	19.2
160.04088	13.8
160.09605	1.4
161.08208	3.1
173.00935	33.5
186.05630	5.6
203.02020	12.3
203.03737	2.1
203.08276	75.1
204.02701	2.1
204.06796	1.9
204.08598	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.49051	0.4
54.95833	0.6
55.01875	1.6
57.03452	2.9
57.48238	0.4
59.01383	3.4
67.01884	1.1
69.03462	1.7
69.81426	0.5
71.01394	4.9
71.05021	2.7
73.02953	7.1
83.01407	1.0
83.05040	2.5
84.02175	1.2
85.02961	6.1
86.03743	2.4
87.04560	0.5
95.05044	1.5
97.06599	4.1
98.20588	0.9
99.00896	1.7
99.04546	0.9
99.08167	1.7
100.64780	0.5
101.02427	0.8
109.02955	0.5
109.06651	0.6
111.00921	0.8
112.01697	0.7
112.05333	7.2
113.02477	3.3
115.04305	0.5
115.07665	3.3
115.30122	0.5
125.02438	1.1
125.06116	1.3
125.09740	1.8
127.04035	1.8
127.07693	2.8
127.11316	5.6
127.50898	0.4
128.11739	0.6
129.01978	4.8
130.02744	34.9
131.03099	1.5
136.98785	0.5
137.06190	0.7
137.09756	10.5
138.10109	1.0
139.07649	0.6
141.20534	0.5
153.09216	1.3
155.10808	100.0
156.11153	8.3
157.05289	1.0
162.01749	0.7
181.08739	4.1
199.06108	1.4
199.09787	11.8
199.13417	1.4
199.17055	1.9
200.03603	0.6
200.07233	0.8
200.10132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01711	1.5
69.96609	1.1
113.04613	0.3
115.02533	0.4
115.47746	0.2
157.03587	4.1
158.03683	0.5
159.01529	2.9
160.01640	0.3
201.02574	13.0
202.02744	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	199.0978
Annotation	7-Hydroxyperoxy-1-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
55.01895	0.5
57.03456	2.0
59.01381	69.2
60.01706	1.0
61.70148	0.4
67.01888	0.8
69.03455	0.7
71.05023	1.0
78.91911	0.8
79.65515	0.4
83.01411	0.4
83.05066	0.4
85.02967	1.0
88.89579	0.4
98.20640	0.9
99.00898	0.6
99.08195	0.7
111.00899	0.8
111.04579	0.5
111.08178	28.3
112.08527	1.7
113.02461	1.6
125.06085	0.7
127.04042	0.7
137.09727	1.1
139.07678	11.5
140.08012	0.9
155.07178	1.1
155.10820	7.1
156.10222	0.4
156.81772	0.4
157.08730	100.0
158.09077	6.3
172.04124	0.4
198.93954	0.4
199.06151	1.0
199.09772	3.1
199.13445	2.1
199.17099	2.0
200.09358	0.5
216.30643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.19356	0.3
51.41003	0.5
55.01873	0.4
57.03437	0.7
59.01378	1.2
61.81798	0.4
65.00353	0.5
69.03460	1.0
70.62421	1.2
71.01381	0.5
71.05031	0.9
78.95921	0.5
80.96527	0.6
81.03442	0.4
83.01384	0.5
83.05034	0.5
87.20566	0.4
95.01396	1.0
95.05050	0.7
97.06599	13.3
98.06938	0.7
99.08179	3.9
109.02950	1.2
109.06609	0.9
111.00859	0.6
111.04552	0.4
111.08129	0.4
121.02962	1.3
122.03767	1.7
123.00895	3.9
123.04536	0.6
125.02448	1.4
125.09757	0.6
126.03230	0.8
126.90562	2.2
137.02489	0.7
137.09727	1.4
138.03271	1.3
151.00407	0.6
151.11255	1.0
153.01942	2.0
153.05624	1.4
153.12874	100.0
154.08771	0.5
154.13226	8.8
160.84247	0.5
162.45996	0.4
162.83945	1.8
166.99863	3.4
178.99866	0.6
179.10797	23.2
180.11078	2.2
182.02234	6.5
182.05809	0.5
196.89487	1.0
197.02211	0.8
197.04565	3.2
197.08179	1.9
197.11844	14.4
197.15523	0.8
197.80803	1.1
198.07813	0.8
198.12163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96515	0.3
57.03448	6.5
59.01380	20.6
60.01702	0.5
61.08973	0.3
67.01898	2.8
70.72633	0.3
70.72985	1.1
71.01373	2.5
72.99319	0.9
73.02956	2.1
78.01450	0.4
83.01392	1.1
83.89734	0.3
85.02961	28.8
86.03297	0.9
87.00887	48.4
88.01231	1.5
89.02431	0.5
98.20549	0.4
99.00890	0.8
101.02459	1.9
103.03999	0.4
111.00896	100.0
112.01228	3.8
112.98779	0.5
117.01961	0.6
118.33811	0.4
127.16588	0.4
129.01968	6.9
130.99870	0.5
131.03531	1.6
147.03049	0.8
147.04495	0.6
154.99872	0.7
163.04033	0.5
173.00945	1.4
176.01173	1.8
191.01988	14.2
191.03568	1.6
191.05563	5.5
191.09312	0.7
191.10860	0.4
192.02304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0458
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
50.93776	0.5
53.94556	0.4
55.11550	0.4
59.01387	1.0
65.00346	0.5
67.01888	0.6
69.03462	0.5
71.42986	0.5
71.43327	0.8
83.01392	0.8
86.02376	0.4
89.00340	1.4
91.01909	0.5
95.01397	13.1
96.01752	0.8
96.38985	0.4
97.02982	0.5
102.94545	0.5
106.00637	1.5
107.05019	0.4
109.02955	0.9
109.06599	1.4
109.71484	0.5
111.00912	1.2
118.03048	0.5
121.02975	17.1
122.03264	0.9
123.00905	55.0
123.04510	0.7
124.01228	2.5
125.02452	0.5
126.90547	1.2
136.98796	0.4
137.02484	1.2
138.03255	16.1
139.00423	0.6
139.03580	1.0
149.76027	0.4
153.01947	0.8
153.05608	16.4
153.09132	0.8
154.05922	0.9
166.83032	0.4
166.99884	40.1
168.00287	2.7
179.07268	0.4
181.01419	1.4
182.02237	100.0
183.02556	6.7
197.04579	35.8
197.08276	2.0
197.11812	1.4
197.15601	0.5
198.05023	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	191.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94795	0.3
55.83513	0.4
57.03452	7.3
59.01388	5.1
67.01883	1.9
71.01380	2.4
71.27575	0.7
71.27909	0.5
72.99314	1.0
73.02952	1.1
74.76459	0.4
83.01384	1.2
85.02964	27.7
86.03249	0.8
87.00889	56.3
88.01212	1.0
89.02451	0.7
93.03470	0.5
99.00880	1.1
101.02466	2.2
109.74964	0.4
111.00903	100.0
112.01241	4.3
117.01940	1.2
118.11509	0.4
126.13456	0.4
127.04050	0.5
129.01970	6.7
130.99904	0.6
147.03064	0.6
148.94963	0.8
152.38390	0.4
154.99855	0.9
173.00943	3.2
191.02003	14.6
191.05635	12.2
192.02324	0.9
192.05995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.70035	0.2
59.01381	8.4
64.56126	0.1
65.99843	0.2
70.21317	0.6
80.66683	0.1
85.06568	0.2
102.03524	0.5
118.02995	0.2
129.05605	1.1
138.32533	0.1
144.04572	100.0
145.04913	8.0
147.06677	0.7
159.03273	0.5
183.80699	0.2
188.03543	4.2
189.03931	0.4
189.09268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0923
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
59.01378	0.8
62.49015	0.1
63.14271	0.1
71.38112	0.1
120.04577	0.3
127.05560	3.2
128.05896	0.4
129.05672	0.1
130.04276	0.2
130.05902	0.1
141.23688	0.1
143.05095	0.1
143.86557	0.2
144.04623	0.3
144.96187	0.1
145.06606	1.3
146.06120	0.1
147.06664	0.2
150.03247	0.3
159.04532	2.3
160.04910	0.2
167.57887	0.1
171.04539	0.3
173.06097	13.6
174.06718	2.4
175.07195	0.2
189.05638	5.9
189.09225	100.0
190.06052	0.7
190.09566	12.2
206.05855	3.5
207.06210	0.3
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	Citric acid
Peak:m/z	Relative Intensity
55.01867	0.5
57.03450	10.6
59.01384	12.7
67.01891	4.1
70.72562	1.2
70.72931	1.0
71.01396	7.0
72.99314	1.7
73.02962	1.8
75.00900	0.9
83.01399	2.2
85.02965	32.8
86.03286	0.8
87.00889	64.4
88.01202	1.4
89.02425	1.1
97.17476	0.6
99.00893	2.8
101.02465	3.1
111.00906	100.0
112.01237	4.1
112.34972	0.5
112.98824	6.3
116.81120	0.6
117.02010	0.9
129.01973	12.3
129.05585	0.7
130.99893	1.3
131.03464	0.6
147.03064	1.6
149.07173	1.0
154.99887	1.1
173.00877	3.1
173.04602	0.7
183.17656	0.6
191.01999	12.1
191.03697	1.1
191.05617	7.1
191.09238	1.0
191.75208	0.5
192.02390	0.6
192.05984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08994	0.4
57.03452	8.0
59.01383	5.7
63.73017	0.5
65.71618	0.5
67.01894	3.1
71.01389	5.3
71.32629	1.0
71.32993	0.6
72.99309	0.5
73.02944	1.3
75.00915	0.6
83.01421	1.2
85.02961	29.7
86.03290	0.8
87.00885	53.8
88.01220	1.8
94.32135	0.4
99.00894	2.0
101.02456	1.3
111.00899	100.0
112.01235	4.6
112.98813	5.5
117.02007	0.5
129.01965	7.0
130.99878	0.7
147.02951	1.1
149.07010	0.6
154.99866	0.8
173.00923	2.4
191.01990	13.7
191.05605	3.7
192.02301	0.6
192.06010	0.6
202.16907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.01851	1.2
57.03217	1.2
57.03449	13.4
59.01377	18.7
63.69252	0.9
66.49141	1.0
67.01893	5.5
68.99786	0.9
70.61566	1.8
70.61930	2.3
71.01385	8.2
73.02946	2.9
83.01397	1.5
85.02959	32.6
86.03288	1.8
87.00886	56.0
88.01240	1.8
89.02457	2.3
91.58793	1.0
95.11224	1.0
99.00882	3.6
101.02448	3.3
103.04054	1.0
111.00896	100.0
112.01214	3.6
112.98812	2.4
115.88640	0.9
129.01949	15.1
131.03526	2.0
152.05005	1.2
162.04199	3.2
173.00917	2.2
191.01976	11.2
191.03523	1.3
191.05606	8.5
192.05278	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	185.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87769	0.2
55.01879	0.4
57.03438	0.6
58.00582	0.3
58.02975	1.7
59.01380	2.3
61.98817	0.2
67.01891	0.3
68.99808	0.3
69.03461	0.9
69.96070	1.2
70.05933	0.2
71.01390	1.3
71.05043	0.2
72.99316	1.8
73.02964	0.4
74.02482	0.2
74.62345	0.2
75.00877	1.2
78.32436	0.2
79.05537	2.6
81.03461	1.7
82.02989	1.3
83.01389	0.2
83.05032	30.6
84.05354	1.4
85.02958	1.0
85.06572	0.5
87.00881	1.9
93.03515	0.2
95.01407	0.3
95.05032	0.5
96.96975	0.2
97.02969	0.6
97.06599	2.9
98.00168	0.2
98.02484	0.2
98.06078	0.2
98.19936	0.2
99.00869	0.3
99.04539	0.7
99.08157	0.4
100.04077	0.6
100.07696	0.4
101.16340	0.2
102.05621	1.7
109.06587	0.3
111.04534	100.0
112.04118	0.3
112.04861	6.5
113.02451	0.5
113.06091	0.5
114.00201	0.9
114.05650	0.3
114.09258	3.1
115.04070	0.3
121.06559	0.3
123.00902	0.3
123.04530	0.6
123.08163	0.9
124.98811	0.2
125.02496	0.9
125.06104	0.8
125.09778	0.3
126.05560	0.2
127.04026	0.5
127.07661	1.1
128.08078	0.2
129.09248	1.0
139.05974	0.5
139.07649	1.2
141.05594	1.2
141.09251	1.7
142.03380	0.2
142.08766	1.2
142.09735	0.3
143.04831	0.2
143.09171	0.2
144.06693	0.4
155.03476	0.9
157.08731	0.3
166.99821	0.2
167.07152	0.8
169.42896	0.2
172.09065	0.2
185.01031	0.3
185.04584	9.1
185.06062	0.5
185.08130	1.6
185.11859	2.2
185.15498	0.5
186.05016	0.7
186.07707	2.1
186.11409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98545	0.1
56.78790	0.1
61.04570	0.1
69.66267	1.0
76.30162	0.1
98.19855	0.2
116.05093	1.5
118.37627	0.1
128.05110	0.2
130.06671	0.2
140.05083	0.5
142.06647	100.0
143.06992	10.2
143.08157	0.3
158.06163	0.4
186.05624	4.1
187.05949	0.4
187.07529	0.1
187.09695	0.1
188.17471	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	186.0562
Annotation	3-amino-2-naphthoic acid
Peak:m/z	Relative Intensity
69.85684	0.2
69.86095	0.4
76.61800	0.1
96.02753	0.1
98.20580	0.1
104.77892	0.1
116.05080	1.7
121.42381	0.1
130.06665	0.2
132.14105	0.1
140.05115	0.6
142.06645	100.0
143.06995	8.9
158.06129	0.2
186.03954	0.2
186.05627	4.5
187.05913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14803	0.1
68.51290	0.1
70.41334	0.3
70.41723	0.3
86.71111	0.1
87.62429	0.1
90.68012	0.1
116.05076	1.5
130.06644	0.2
140.05099	0.5
142.06642	100.0
143.06990	9.5
143.08170	0.2
151.56490	0.1
158.06133	0.3
168.28752	0.1
186.05630	4.0
187.05873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33608	0.1
58.84611	0.1
63.78372	0.1
69.70491	0.7
69.70853	0.1
73.26595	0.1
83.26474	0.1
92.02032	0.1
116.05085	1.3
126.87481	0.1
130.06642	0.2
140.05090	0.4
142.06644	100.0
143.06987	9.4
158.06114	0.3
186.05637	3.9
187.05939	0.5
203.56737	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	183.0665
Annotation	cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
Peak:m/z	Relative Intensity
57.03443	2.5
59.01373	1.4
67.01913	1.5
67.05542	1.7
68.99569	6.9
69.03461	4.0
71.05009	3.0
71.71358	0.8
75.68181	0.5
78.93707	0.6
81.03457	0.8
83.05027	1.1
93.03489	0.7
93.07116	2.4
95.01410	0.6
95.05049	1.0
97.01760	0.5
97.02938	0.6
98.02492	1.3
101.13136	0.5
101.27283	0.7
109.02979	0.9
111.00922	1.4
111.08184	2.1
112.04038	0.9
112.98579	7.7
114.10108	0.6
121.06615	42.1
122.06964	4.5
122.07762	1.0
137.02492	1.0
138.91641	0.6
139.00404	0.9
139.07677	100.0
139.11288	1.7
140.07129	1.1
140.08035	7.5
152.98323	0.8
164.98299	1.1
165.01939	2.5
168.00713	1.6
183.03006	2.4
183.06621	15.6
183.10190	4.3
183.13892	1.6
184.04045	0.7
184.07135	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	183.1028
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
57.03447	16.7
59.01369	19.5
65.00311	5.2
67.01881	9.5
68.99557	34.4
69.03460	17.7
71.01389	8.0
71.05032	11.1
73.01814	5.3
82.74193	4.4
83.01431	4.4
83.05038	14.3
83.75378	4.1
85.06594	8.5
89.02464	4.8
93.99540	5.0
95.01372	10.6
97.02962	9.1
98.02486	14.7
99.04540	10.6
104.21279	4.3
109.03001	9.5
111.00883	13.8
111.04542	6.9
111.08160	7.7
112.04050	14.5
112.98590	44.1
113.06084	5.3
121.06593	7.1
121.10217	16.1
123.00803	7.6
124.01656	8.3
124.04044	7.8
124.98808	9.0
125.02427	5.9
137.02507	6.6
139.00406	8.8
139.07672	18.2
139.11285	22.3
140.07182	13.6
151.00377	10.1
152.98276	7.5
153.00745	5.4
164.98306	15.0
165.01888	22.1
168.00656	21.8
183.00598	26.3
183.02982	18.1
183.06612	24.8
183.10298	100.0
183.13899	7.4
184.06155	17.5
184.10663	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.25464	0.2
55.62655	0.3
57.03444	0.5
59.01373	0.7
59.41527	0.3
67.01881	0.9
68.99570	1.1
69.03454	0.8
70.86903	0.7
71.01379	0.4
71.05058	0.3
77.80087	0.3
82.54092	0.3
83.05020	0.3
93.03481	0.3
95.01408	0.6
96.04570	0.3
97.02973	0.4
98.02490	1.0
109.02946	0.7
111.00890	1.1
111.04521	0.6
112.00430	0.4
112.04056	0.6
112.98556	1.7
118.96822	0.3
121.02950	0.3
121.06608	0.5
124.04051	0.5
137.02444	0.9
139.00397	0.7
139.04085	0.3
139.07658	0.4
139.11307	0.5
139.99869	0.4
140.07190	0.6
152.98309	0.5
165.01927	1.5
168.00656	1.2
182.33612	0.3
182.99222	0.5
183.02977	1.3
183.06564	1.1
183.13916	100.0
184.06189	0.8
184.14267	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	182.9937
Annotation	Chelidonic acid
Peak:m/z	Relative Intensity
51.77014	0.5
59.01373	1.2
67.01897	100.0
67.40443	0.6
68.02240	3.5
68.99831	2.3
69.03484	0.7
71.01363	0.6
71.71002	0.9
72.99328	1.5
74.99751	0.8
79.95755	1.8
80.65551	0.5
83.01375	0.6
85.02919	0.6
85.06594	0.6
94.03018	0.5
94.51196	0.5
95.01399	2.0
95.05039	1.6
96.96056	0.5
97.02984	1.2
98.02492	1.4
98.20055	0.7
107.04984	0.5
109.02972	0.6
109.06660	0.8
111.00945	0.8
111.04521	2.5
112.04097	1.1
119.05067	1.0
121.06640	0.7
122.06186	0.9
124.01692	0.7
124.04079	1.0
124.98829	2.5
135.04578	0.8
137.02492	1.0
137.05136	1.5
139.00403	20.5
139.04065	0.7
139.07634	1.4
140.00760	1.7
140.04686	0.6
140.07195	1.8
141.07549	1.4
142.08762	11.3
142.12051	0.6
152.98308	3.0
153.05536	0.5
154.46735	0.4
157.08795	0.5
159.52116	0.5
161.37703	0.5
164.98645	1.2
165.01903	0.9
165.04539	2.3
168.00652	3.4
182.99402	3.2
183.03117	1.9
183.05544	1.6
183.06796	1.1
183.10281	1.4
184.06229	2.1
184.09828	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	183.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.4
59.01370	2.4
65.00332	0.7
67.01889	2.0
67.05534	1.4
68.01422	0.5
68.99569	6.5
68.99869	0.6
69.03461	5.4
71.01397	1.5
71.05018	4.1
73.01834	0.6
83.01398	1.1
83.05047	1.0
85.02939	0.6
85.06615	0.8
89.02473	0.6
92.99860	0.8
93.07097	2.9
95.01408	1.6
95.05035	0.6
96.04599	0.8
97.02965	1.5
98.02491	2.7
103.02843	0.6
109.02968	1.6
111.00909	3.2
111.04538	1.3
111.08191	2.3
112.00438	1.8
112.04067	1.6
112.18739	0.5
112.98577	8.5
113.02504	0.5
116.92943	0.6
121.06616	50.8
122.06942	4.1
124.01628	0.9
124.04060	1.3
128.96469	0.5
136.98827	0.6
137.02451	1.7
137.06068	0.6
139.00406	2.2
139.07675	100.0
139.11293	1.6
139.99861	1.1
140.07158	0.9
140.08043	8.5
152.98334	1.1
153.00615	0.7
164.98341	2.0
165.01945	3.3
168.00620	1.9
182.99239	1.1
183.00618	0.8
183.03099	2.3
183.06596	15.6
183.08009	0.8
183.10252	5.4
183.13889	1.1
184.06224	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	183.0664
Annotation	cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
Peak:m/z	Relative Intensity
54.43205	0.3
57.03465	1.2
59.01389	1.6
65.00344	0.5
67.01896	1.5
67.05553	1.0
68.99556	2.8
69.03460	4.9
70.62328	1.1
71.01396	0.7
71.05030	4.2
73.02985	0.4
79.86800	0.4
83.05062	0.5
85.02955	0.4
85.06609	0.7
91.02924	0.3
92.99851	0.4
93.07120	2.7
95.01419	1.1
97.02982	0.7
98.02506	1.1
99.00885	0.3
101.02464	0.5
109.02982	0.5
111.00899	1.9
111.04523	0.4
111.08183	1.9
112.00414	1.2
112.04055	1.1
112.98584	3.6
121.06615	51.0
122.06932	3.8
124.01725	0.3
124.04075	0.6
124.98833	0.6
137.02463	0.9
139.00381	0.8
139.07674	100.0
139.99895	0.5
140.07143	0.8
140.08034	7.3
152.98274	0.8
164.98438	0.7
165.01959	1.3
168.00613	1.1
173.00117	0.3
182.99222	0.6
183.03189	1.8
183.06612	17.2
183.13882	0.9
184.06134	0.9
184.07169	0.7
184.10611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.2
59.01380	3.0
65.00312	0.8
67.01893	3.1
67.05544	1.0
68.99566	6.7
69.03452	5.3
71.01377	1.9
71.05017	4.3
73.02964	0.9
73.82648	0.6
74.91696	0.6
78.30305	0.7
83.01398	1.2
83.05039	1.1
85.02962	1.0
85.06596	1.1
90.61513	0.7
92.53633	0.8
93.07125	2.7
95.01398	2.3
97.02963	1.7
98.02495	2.4
101.02498	1.1
109.02969	2.4
111.00884	3.9
111.04549	2.0
111.08161	2.6
112.00424	2.0
112.04076	2.6
112.07717	1.0
112.98589	7.0
113.02452	0.7
121.03015	0.9
121.06614	50.8
122.06932	4.1
123.04586	1.1
124.01636	1.0
124.04042	1.7
124.98820	1.1
137.02440	2.7
139.00392	1.9
139.04030	1.9
139.07672	100.0
139.11298	2.2
139.99907	1.3
140.07138	1.4
140.08049	7.7
151.00337	0.8
152.98296	1.5
164.98363	1.7
165.01936	5.4
168.00684	3.2
182.99321	1.2
183.03044	4.8
183.06602	17.3
183.10249	4.9
183.13870	1.4
184.06003	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	182.9939
Annotation	2-Pyrone-4,6-dicarboxylate
Peak:m/z	Relative Intensity
56.55052	0.3
61.98818	0.3
67.01897	100.0
68.02232	3.6
68.99830	2.2
70.57118	1.1
75.61095	0.2
79.95748	11.1
80.96523	1.9
81.83716	0.3
81.95328	0.3
95.01424	1.5
95.38966	0.3
98.20532	0.3
99.00925	0.3
116.48769	0.3
120.99664	3.0
122.13081	0.3
139.00401	22.7
140.00755	1.2
140.93399	0.6
161.70015	0.3
163.40053	0.3
164.98657	6.9
165.98973	0.3
182.99687	9.7
183.99977	0.4
189.73170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.98833	1.0
70.07655	0.9
70.08067	0.4
71.01392	2.8
79.95740	0.3
85.02984	0.4
87.00895	1.0
89.02444	1.3
98.19952	0.3
99.00892	0.3
101.02452	0.3
103.00397	0.3
103.28059	0.2
113.02426	0.3
117.01961	0.3
118.27486	0.2
119.93732	0.6
134.96114	12.9
135.96198	1.5
136.94034	100.0
137.94110	11.9
138.94470	0.3
143.14146	0.3
151.92743	12.0
152.21590	0.2
152.92825	1.3
154.95045	0.5
161.04584	0.5
178.95085	56.7
179.05617	0.7
179.06979	0.2
179.95189	8.3
196.96040	0.5
197.96262	0.2
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
54.18615	0.2
54.62450	0.2
59.01383	0.7
66.43936	0.2
67.01891	3.0
68.99818	0.4
69.03461	0.4
70.75923	0.7
71.01389	0.4
72.01714	0.4
76.42181	0.2
83.01409	0.3
83.05026	0.3
85.02969	0.3
89.02459	0.2
92.05077	3.1
93.03444	0.4
94.02983	1.3
96.04583	0.3
96.96017	1.2
97.02940	0.5
102.02831	0.4
108.04567	47.4
109.02936	0.4
109.04906	2.2
110.06149	0.8
111.04502	0.4
120.04573	4.8
120.05364	0.4
122.02511	0.8
123.00886	0.3
123.03278	0.8
136.04030	0.5
138.05626	100.0
139.00394	0.8
139.05978	6.7
139.11307	0.3
140.07190	0.5
151.00471	0.3
152.03540	0.5
152.98294	0.4
164.04379	0.7
165.01979	0.4
167.03137	0.4
168.00652	0.5
182.04584	28.8
183.03174	1.1
183.04929	2.1
183.06624	0.8
183.10284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0977
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
56.17293	0.8
59.01376	4.0
59.98522	0.7
69.03457	1.4
71.01392	1.4
83.05051	0.7
85.02964	16.7
85.06604	21.4
86.03292	1.2
87.00898	1.7
91.75343	0.7
98.19813	1.7
101.06097	16.6
102.06429	0.9
112.97635	0.8
113.06105	45.2
114.06451	2.1
115.00381	1.4
115.07672	0.9
129.05598	30.9
129.09245	4.9
130.05908	1.1
131.03577	0.8
131.07156	30.6
132.07436	1.5
173.34747	0.7
175.09775	100.0
176.10135	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	175.0977
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
57.03456	0.9
58.59731	0.3
59.01381	3.2
60.99290	0.3
62.03008	0.4
63.45670	0.4
63.93132	0.3
68.99828	0.5
70.53177	1.1
71.01386	1.9
71.05018	0.6
72.99301	0.6
81.03448	0.3
81.76157	0.3
85.02963	0.5
87.00891	1.6
89.69010	0.3
97.06634	1.3
99.02552	0.3
99.08171	20.2
100.08524	0.9
101.09752	0.6
109.06639	2.0
111.08154	2.7
113.06078	0.3
115.00397	1.5
115.04067	0.8
122.20240	0.3
123.84233	0.3
124.98790	0.4
125.31080	0.3
127.07667	2.1
127.97483	0.4
129.09242	60.4
130.01344	0.3
130.09579	3.8
131.06998	0.5
132.02245	0.5
157.08704	1.4
160.01682	0.7
173.08195	1.3
174.88960	0.4
175.09775	100.0
176.10114	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	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
57.03455	0.3
59.01380	10.9
68.99833	0.3
69.93165	0.4
69.93576	0.9
71.01389	0.6
75.00916	0.3
77.03974	1.4
81.03466	2.3
83.01401	0.2
85.02966	0.5
87.00889	0.3
88.86951	0.2
89.02469	0.3
89.03429	0.4
89.03979	7.6
90.04327	0.5
93.03458	1.7
95.05048	2.4
99.00900	0.6
100.34966	0.2
105.03474	15.9
106.03129	0.2
106.03822	1.0
106.14686	0.2
107.01410	0.5
109.02959	0.5
115.00399	0.4
120.21330	0.2
121.02944	1.6
123.04548	0.6
129.01942	0.4
132.02133	0.3
133.02975	33.6
134.03285	2.2
139.04041	0.3
149.02472	3.8
150.02786	0.5
162.03226	2.8
163.03624	0.2
177.01945	100.0
178.00725	0.4
178.02298	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	173.0821
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
50.90580	0.4
59.01382	98.0
60.01715	2.0
67.01893	2.0
69.03474	0.5
69.84425	3.2
71.01396	0.6
72.99294	0.7
73.02963	1.9
73.75253	0.4
83.01431	0.4
83.05033	1.0
85.02957	4.6
85.06601	19.4
86.06924	0.9
93.03465	7.8
99.00900	0.6
111.00905	5.2
111.04523	1.4
111.08140	0.8
112.98813	0.5
113.06101	15.0
114.06416	0.7
129.01952	1.0
130.06631	2.0
131.07162	100.0
132.07498	4.9
137.02425	1.1
145.01408	0.5
154.99884	0.6
173.04517	1.0
173.08208	1.0
174.05568	1.4
174.07724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33118	0.3
56.87277	0.3
59.01382	98.5
60.01727	1.7
60.12632	0.3
67.01903	0.8
71.01404	0.6
71.30491	0.6
71.30833	0.6
72.99312	0.3
73.02953	0.9
83.05035	0.6
85.02976	1.7
85.06602	20.6
86.06943	1.2
88.55550	0.3
93.03477	3.6
108.26550	0.4
111.00913	0.7
111.04543	0.8
111.08204	0.5
113.06103	13.7
114.06457	0.9
121.87086	0.4
129.01875	0.3
130.06667	1.0
131.07167	100.0
132.07497	5.4
137.02472	0.5
146.06099	0.3
173.08186	0.7
174.05621	0.5
174.07756	0.6
186.81374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90198	1.1
57.86617	1.2
59.01381	33.6
60.01722	3.6
69.77297	9.8
70.65405	1.3
71.01388	19.0
72.99312	4.1
73.02972	2.4
76.55939	1.2
83.01408	2.5
85.02961	6.3
86.03294	1.8
86.06956	1.7
87.00889	28.7
87.46745	1.3
94.03806	3.5
112.01179	1.9
112.98837	2.5
113.06103	2.2
114.06427	1.5
115.00393	28.2
115.04036	1.3
118.03020	3.8
124.98862	1.8
128.05066	4.7
129.01938	2.4
129.05859	5.5
129.09235	4.6
130.06651	100.0
131.03763	7.8
131.05022	2.6
131.07054	8.5
132.02193	19.1
132.07520	10.8
132.09224	2.2
133.04974	1.8
144.04573	20.7
145.05037	1.8
146.06171	8.9
159.03276	1.6
160.01689	40.8
161.04852	3.2
172.04088	2.7
174.01744	19.7
174.05626	51.3
174.07726	7.9
174.88989	3.4
175.02457	8.6
175.04034	9.3
175.05928	5.4
175.09732	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	175.0251
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
59.01386	48.2
69.74918	2.6
69.75199	26.9
71.01387	11.5
75.00881	6.7
75.26270	3.1
87.00912	8.4
100.98825	100.0
114.50317	3.4
115.00403	14.5
115.04042	3.5
115.99897	3.4
124.98875	4.7
127.31911	3.4
127.97537	57.9
130.99881	4.8
136.67122	3.1
142.99866	10.2
157.01343	4.2
175.02473	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	175.0614
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
55.04431	0.2
57.03451	0.9
59.01380	100.0
60.01722	2.3
60.90853	0.2
68.99818	0.7
69.03480	0.4
70.24896	1.3
71.01385	3.5
71.01758	0.3
71.05023	8.8
72.05370	0.4
72.99314	0.9
73.02968	0.4
75.00893	0.4
81.03482	0.7
85.02980	1.1
85.06613	1.1
87.00886	4.9
87.04539	0.4
94.86578	0.3
97.02959	0.5
98.19875	0.5
99.08168	0.6
100.98832	1.6
101.02480	0.5
113.06112	1.9
115.00397	3.2
115.04025	10.6
116.04367	0.6
124.98864	0.9
127.97565	0.9
129.01991	0.3
129.09221	2.3
131.03575	0.3
131.07149	0.5
133.05101	2.6
142.99931	0.3
148.04117	0.4
157.01494	0.6
157.05147	0.4
174.88988	1.4
175.02628	1.5
175.04105	0.6
175.06174	2.3
175.08189	0.6
175.09741	4.3
175.11189	0.3
176.03539	3.8
176.10124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78198	0.8
71.01385	0.3
71.65486	0.3
72.99304	0.8
85.02963	100.0
85.45480	0.3
86.03290	4.0
93.03484	0.6
109.79964	0.3
111.00237	0.3
111.00882	1.7
128.52557	0.3
129.01964	8.3
130.02315	0.9
160.56508	0.4
172.83090	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	173.0093
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01864	0.4
55.65173	0.3
56.90218	0.3
57.03433	0.4
59.01378	0.4
62.88336	0.3
68.99072	0.3
71.01381	6.1
71.12078	0.4
71.12389	0.6
72.99305	0.5
73.02983	0.3
76.58561	0.3
77.60932	0.3
79.41682	0.4
81.15574	0.3
83.01410	0.5
85.02959	100.0
86.03285	4.2
87.00882	0.4
87.85960	0.3
96.06141	0.3
96.99337	0.4
99.00896	2.2
102.48163	0.4
102.94136	0.3
111.00893	3.7
112.98823	5.0
115.00410	0.4
120.85724	0.3
123.43819	0.3
124.98836	1.4
129.01962	13.6
130.02275	0.6
142.99876	4.9
144.00316	0.4
164.73524	0.4
165.07088	0.3
173.00934	1.5
174.07716	1.9
174.09068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0094
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01894	0.5
57.03440	1.1
58.00590	0.5
59.01391	3.3
67.01904	1.0
69.55771	0.5
69.67585	3.3
69.67992	0.9
71.01392	5.9
72.99300	1.1
73.02954	2.1
75.00880	0.8
79.07980	0.4
83.01386	0.6
85.02962	100.0
85.06591	3.1
86.03288	3.7
93.03474	7.7
99.00890	2.3
99.04538	0.5
101.02464	1.4
107.66786	0.5
111.00900	2.6
111.04543	2.1
111.08154	0.6
112.98821	1.6
124.98815	1.3
126.59762	0.5
129.01964	10.1
129.05640	0.6
130.02267	0.6
131.07132	1.6
137.02406	0.9
142.99867	3.4
149.64217	0.6
154.99869	0.8
155.03539	1.6
173.00929	1.5
173.04564	2.2
174.07748	5.9
187.35019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0094
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
50.83121	1.3
51.22537	1.6
52.89493	1.4
53.50963	1.8
54.19067	1.6
55.01886	1.7
55.43897	1.6
57.03428	4.7
58.96580	1.4
59.01379	49.2
60.99302	3.3
62.97309	1.8
67.01891	14.3
67.02223	2.4
68.99821	14.6
69.03442	5.0
70.72329	3.3
70.72697	3.1
71.01382	19.4
72.99308	31.8
73.02954	50.3
75.00879	51.2
81.03481	2.1
83.01379	2.3
83.05031	6.8
84.99293	2.9
85.02959	88.6
85.06577	6.6
86.03276	3.5
87.04433	1.5
89.02454	8.2
93.03468	82.3
94.03816	3.0
99.00876	8.8
99.04530	7.1
101.02454	33.6
111.00876	17.5
111.04527	17.3
111.08170	3.6
112.98819	55.2
113.06078	3.8
113.99179	2.4
117.01957	20.6
129.01961	12.3
130.06653	1.8
131.07155	34.0
132.07515	1.6
137.02451	10.6
140.98312	5.1
142.99867	5.1
143.03532	2.1
145.01447	100.0
146.01793	4.3
154.99773	2.2
155.03490	4.1
156.06682	1.6
173.00945	25.7
173.02420	1.8
173.04590	11.5
173.08145	4.4
174.01920	2.7
174.05539	3.6
174.07733	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	173.0094
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00315	2.3
55.01881	4.5
57.03443	3.1
57.45931	1.8
59.01389	11.8
59.35409	2.0
67.01864	1.9
68.99822	1.9
70.77998	6.1
71.01391	100.0
72.01749	3.7
72.99321	6.3
73.02952	8.0
83.01396	11.1
85.02963	85.7
87.00887	6.1
93.03456	3.9
95.31866	1.8
96.99354	2.4
99.00897	42.4
101.02467	3.2
110.20496	2.0
111.00886	6.4
112.98833	53.0
113.99135	4.2
115.00393	4.4
124.98839	23.2
129.01935	13.1
140.98277	2.1
142.99879	67.5
173.00967	14.3
174.07758	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	170.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
70.70606	0.7
77.83762	0.2
80.05080	0.4
83.05022	0.3
97.02998	0.3
107.70137	0.2
127.07629	0.2
128.07201	100.0
129.07549	6.4
170.08260	6.5
171.08557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0983
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.01886	0.5
57.03457	0.4
58.02987	1.4
59.01383	33.6
60.99305	0.5
67.01895	3.2
68.99829	0.3
69.03472	0.7
71.01383	3.0
71.01708	0.3
71.71318	0.4
71.71709	0.3
72.99327	1.6
73.02955	3.0
73.48946	0.2
75.00887	0.6
81.03478	0.5
82.06657	0.2
83.01409	0.6
83.05032	1.2
84.02203	0.5
85.02963	10.1
85.06603	7.7
87.00927	0.3
93.03472	15.3
99.00901	2.4
99.04527	0.8
100.07668	0.2
101.02489	0.7
109.02959	0.2
111.00906	13.4
111.04528	3.2
111.08189	1.3
112.98830	5.5
113.06107	5.9
117.01961	0.4
124.98830	0.7
125.06086	0.3
127.07674	1.1
128.10835	2.6
129.01950	1.4
129.05606	0.3
130.08766	100.0
131.07167	38.3
131.09111	5.9
137.02426	1.7
142.99879	2.3
143.03584	0.3
144.04576	1.5
145.01456	1.5
154.99890	2.3
155.03561	0.7
172.04045	0.6
172.09821	15.6
173.00996	1.7
173.02437	0.5
173.04633	2.2
173.06087	0.4
173.08211	2.3
173.10168	1.1
173.11668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1079
Annotation	(+-)-1,8-Epoxy-p-menthan-3-one
Peak:m/z	Relative Intensity
59.01382	100.0
60.01716	1.8
65.47308	1.5
66.03485	1.7
68.99823	2.7
69.03455	2.8
71.01385	1.5
71.61340	1.3
71.70779	2.0
80.02699	1.9
80.05078	1.7
81.03460	3.2
82.02982	6.2
83.01414	1.8
91.01899	4.0
93.03482	2.5
95.01401	7.3
95.05038	5.7
97.02945	1.8
108.02193	31.5
108.04586	3.2
111.00877	1.4
121.03014	2.0
123.00931	6.2
123.04548	28.7
123.05561	1.8
123.05772	1.6
123.08166	2.5
124.01643	2.7
124.04046	1.8
124.04903	1.7
125.02459	4.1
139.00302	1.8
139.04018	2.8
149.02420	1.6
149.05112	2.8
149.09724	5.3
150.05553	1.9
152.01172	70.0
153.01532	4.5
166.99904	1.6
167.03508	31.1
167.05850	1.7
167.07257	2.4
167.10785	68.6
168.02991	2.4
168.06633	3.9
168.11215	7.6
182.95847	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51582	0.4
57.03447	0.7
58.02977	100.0
59.03331	1.9
68.99836	0.9
69.03458	0.8
69.54326	2.5
69.54731	0.7
71.01392	0.6
72.07016	0.3
81.03487	1.0
81.79107	0.3
82.02984	2.7
83.01413	0.7
85.02966	0.9
97.02966	2.1
97.06612	0.5
100.69560	0.4
107.05003	0.5
108.04593	0.8
113.02473	0.4
120.60409	0.4
122.89456	2.1
124.04097	0.5
124.04893	0.4
124.07742	0.4
125.02467	17.5
125.06132	0.6
125.09727	1.2
125.99684	0.7
139.00360	0.4
151.00406	0.8
151.04068	0.5
153.01570	1.6
153.99100	0.7
168.04019	0.4
168.06715	0.9
168.13953	11.1
168.83730	0.5
169.01448	7.2
169.03845	0.5
169.05112	0.8
169.06306	0.5
169.08702	0.6
169.12424	0.8
169.14325	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	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.47032	0.6
55.23309	0.6
65.28410	0.6
67.41037	0.5
71.70412	1.2
72.00913	38.7
72.99313	0.8
73.01272	0.8
75.00890	0.6
87.00906	1.0
91.05547	2.2
103.05538	1.2
105.25954	0.5
119.05029	1.6
120.05390	1.2
121.02982	0.9
147.04544	100.0
148.04892	9.6
150.03181	0.8
156.96767	0.5
164.07193	52.2
165.04063	1.2
165.07545	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	165.0406
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
50.41375	0.7
55.01867	1.3
57.03439	0.8
59.01376	8.1
69.45398	6.7
71.01380	8.7
72.99316	5.5
73.02954	3.2
75.00446	1.6
75.00880	37.4
87.00886	100.0
88.01225	3.0
89.02451	3.4
92.90092	0.9
99.00887	13.5
101.02466	5.2
105.01950	83.6
106.02296	1.5
110.65807	0.7
117.01978	3.9
119.03467	1.4
120.85461	0.6
129.01973	3.7
135.03023	2.3
147.03008	10.4
165.04065	75.6
166.04393	4.0
184.11606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0559
Annotation	Phenyllactic acid
Peak:m/z	Relative Intensity
58.46746	0.5
70.87478	1.5
72.12995	0.5
72.99316	25.5
73.99671	0.8
91.05559	1.4
92.24612	0.5
92.38011	0.5
96.46365	0.4
97.91277	0.4
101.03976	1.1
117.03535	0.5
119.05050	26.7
120.05406	1.9
147.04546	100.0
148.04890	8.4
148.08093	0.6
149.34019	0.5
156.13853	0.5
156.68022	0.5
165.05594	39.0
166.05927	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	165.0559
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
64.05070	0.4
64.44478	0.4
72.99310	34.2
73.99677	0.5
91.05547	1.8
94.93144	0.4
101.03999	1.5
103.05540	1.0
117.03492	0.5
119.05045	33.7
120.05373	3.1
121.02962	1.9
147.04538	100.0
148.04874	8.6
150.03217	0.8
165.05577	36.1
166.05969	3.1
175.24471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05869	0.3
54.58062	0.3
55.27303	0.3
57.03437	0.5
59.15936	0.4
64.24903	0.3
68.32211	0.3
70.00244	1.8
70.00646	0.8
71.01369	0.4
76.53724	0.4
85.02970	0.3
86.06131	0.5
96.71825	0.3
97.02982	0.6
98.20609	0.5
110.06133	1.3
112.04052	0.6
112.07700	4.1
114.09275	0.8
115.04064	0.4
140.07190	3.8
156.06676	12.1
157.07010	0.8
158.08244	100.0
159.08632	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	161.0458
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
52.20711	1.1
55.01872	4.7
56.39184	1.4
57.03448	29.8
58.00576	2.2
59.01379	76.9
60.01697	1.7
69.03454	4.9
70.88431	4.2
71.01386	99.5
71.05032	10.2
72.01745	3.0
72.99310	9.3
73.02948	39.5
75.00880	2.8
81.03465	10.7
83.01395	17.4
84.02175	4.3
85.02958	100.0
86.03311	3.3
87.00887	28.1
87.04515	3.2
89.02445	18.1
95.01398	13.2
97.02972	6.6
99.00884	4.1
99.04530	37.4
100.04874	2.6
101.02456	43.4
102.02702	1.6
113.02462	27.1
115.04039	1.5
117.05579	3.4
125.02441	1.5
125.40443	1.3
129.01967	2.0
131.03523	34.3
132.03865	2.6
141.27699	1.3
143.03532	7.5
161.04572	41.3
162.04829	1.7
183.94882	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	161.0822
Annotation	beta-Cymaropyranose
Peak:m/z	Relative Intensity
57.03444	2.7
58.00606	0.9
59.01383	11.2
65.54787	0.7
69.03467	1.1
70.86801	2.2
71.01391	19.9
71.05028	27.1
72.99318	1.1
73.02956	9.1
75.00916	0.9
81.03452	1.7
83.01392	4.2
85.02964	14.1
86.03266	1.0
87.00902	1.4
87.04532	14.7
88.04860	0.8
89.02460	4.2
95.01416	1.2
99.04536	67.8
100.04877	3.1
101.02463	3.2
113.02470	4.7
115.04033	40.2
115.07658	10.3
116.04372	1.6
117.05595	37.3
118.05978	1.5
122.54251	0.8
123.29251	0.7
131.03534	6.6
132.03815	0.9
161.04617	5.4
161.08217	100.0
162.01892	0.7
162.08530	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	161.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26656	0.6
59.01371	2.7
59.41832	0.7
69.03469	1.2
71.01392	12.3
71.05028	21.5
71.41866	1.3
72.05379	0.8
73.02959	2.6
81.03478	0.9
83.01389	0.7
85.02945	4.6
87.04523	14.4
88.04882	0.7
90.08436	0.7
90.84492	0.6
91.54697	0.6
99.04535	69.5
100.04865	4.1
101.02503	1.5
101.06081	0.7
113.02502	2.2
115.04033	37.5
115.07662	8.9
115.44764	0.7
116.04340	1.7
116.08011	1.0
117.05598	36.2
118.05946	1.8
131.03511	2.5
134.22723	0.7
161.04553	2.0
161.08218	100.0
162.08575	7.4
163.97401	0.7
173.61246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0873
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
55.01884	0.4
57.03449	3.2
59.01371	1.6
68.99824	1.2
69.03453	0.8
71.01394	1.3
72.99309	1.3
74.58310	0.3
75.73595	0.3
83.05006	0.4
84.99319	5.6
85.02986	0.7
87.00887	0.8
95.05016	0.6
98.33434	0.3
99.00906	1.8
109.06586	0.8
110.06157	0.8
111.00897	0.4
111.08176	70.6
112.07707	3.9
112.08517	4.9
112.92291	0.5
113.06129	0.9
114.09244	0.7
115.00372	2.0
127.00397	3.9
128.05086	2.1
128.98344	0.9
130.06624	2.3
139.07675	4.5
140.07198	3.3
142.01646	0.4
147.28619	0.4
155.07153	2.0
156.06673	11.5
156.89522	0.7
156.97752	0.6
157.01433	1.0
157.08723	52.8
157.12271	3.1
158.06139	5.7
158.08224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0614
Annotation	Indole-3-acetaldehyde
Peak:m/z	Relative Intensity
59.01366	0.5
71.01379	0.9
73.02953	0.8
80.35186	0.3
82.47264	0.4
98.19930	0.8
99.00909	0.4
100.00258	0.4
101.02454	0.4
110.06110	0.4
111.00909	0.7
112.07702	3.1
113.35569	0.3
114.09268	0.7
116.05077	1.1
116.92875	0.6
122.68252	0.4
128.05087	58.2
129.01939	0.5
129.05325	3.6
130.06648	81.1
131.07002	7.4
132.04588	1.1
140.07207	2.1
144.04604	1.8
146.06139	6.8
147.06477	0.7
156.04617	3.8
156.06665	6.5
157.05336	1.1
157.07074	0.6
158.06152	100.0
158.08200	55.1
159.03012	0.9
159.06499	10.4
159.08527	4.1
161.04904	1.8
172.04074	15.0
173.04431	1.5
174.05632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
56.22440	0.3
57.03426	0.7
59.01340	1.2
68.99805	0.6
69.03436	0.5
69.45592	2.5
69.69591	0.2
71.01385	3.0
73.02949	3.0
75.00835	0.4
81.37660	0.2
83.01390	0.4
83.42110	0.3
84.04534	0.3
85.02923	0.8
87.00855	1.2
92.05024	0.3
92.09353	0.3
97.02947	0.8
97.06602	0.8
99.00893	1.0
99.92585	1.6
101.02465	1.5
110.06120	1.4
111.00882	1.6
112.07700	4.2
113.02431	0.4
113.09722	0.5
114.09238	0.9
114.10033	0.5
114.94923	1.0
115.05550	1.1
116.05069	1.0
116.92870	4.3
121.26498	0.3
128.05086	43.3
129.01984	2.0
129.05321	3.1
130.06645	71.8
131.05013	0.3
131.06985	6.3
132.04572	1.1
140.07188	3.1
141.07571	0.4
144.04552	1.8
146.06142	5.9
147.06380	0.4
156.04707	2.8
156.06688	12.4
157.05321	1.0
157.07037	1.0
158.06169	88.5
158.08220	100.0
158.93915	0.4
159.03027	3.5
159.04506	0.5
159.06519	9.0
159.08620	6.9
159.10324	0.5
161.04884	1.4
172.04068	15.4
173.04440	1.6
174.05649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.43700	0.3
57.99496	0.3
59.01388	0.7
70.55853	0.7
71.01421	0.8
73.02952	0.6
83.01361	0.6
85.02943	0.3
86.27025	0.3
87.00892	0.3
98.20550	0.4
99.00949	0.4
102.05627	0.3
110.06112	1.1
111.00867	0.4
112.07696	4.0
114.09261	0.7
140.07173	2.6
156.06686	13.1
157.07028	0.9
158.08247	100.0
159.02922	0.4
159.08601	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	155.0718
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01875	7.6
57.03471	2.8
57.69859	2.4
58.00589	17.1
59.01382	80.5
68.99835	2.2
70.72921	4.9
70.73319	4.3
71.01392	14.3
71.05029	3.9
72.02161	7.5
72.99310	5.9
80.02708	2.9
81.07127	3.4
83.01395	5.1
83.05060	10.5
84.02183	10.1
85.02972	4.0
86.00135	17.6
93.03506	2.3
95.05042	54.4
96.05371	4.2
97.06602	20.5
99.08178	48.3
100.01704	2.1
100.08517	3.9
107.05049	100.0
108.02188	2.9
108.05389	5.1
109.06616	6.9
110.00076	2.2
111.04532	4.9
111.08160	2.7
112.01699	3.0
113.06102	18.0
114.05639	23.5
114.06409	3.4
123.00866	2.0
123.04532	4.5
125.06123	34.5
126.06427	2.4
127.07674	35.9
128.08044	2.9
134.73410	2.1
136.52379	2.2
137.06075	9.8
140.01239	3.1
154.99876	5.7
155.07175	22.7
156.06604	12.6
159.84621	2.2
165.39326	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0718
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01885	14.5
57.03442	7.4
58.00599	12.1
59.01382	69.3
67.01880	4.4
69.54705	2.0
70.02975	2.3
70.55371	7.3
71.01384	17.0
71.05011	4.2
72.02172	9.9
72.99313	6.0
73.02946	2.5
74.08837	1.7
80.02670	2.4
81.03469	3.8
81.07101	2.7
83.01393	17.3
83.05037	14.0
84.00915	2.7
84.02184	9.4
84.04544	3.6
85.02957	7.3
85.06597	3.3
86.00095	17.9
93.03468	10.9
95.01373	1.9
95.05040	52.7
96.05369	2.1
97.06598	15.1
98.20551	2.2
99.04534	2.2
99.08173	52.3
100.01688	1.9
107.05048	100.0
108.02164	3.1
108.05384	6.2
109.02985	2.6
109.06610	9.8
111.00883	6.3
111.04538	7.4
111.08166	10.3
112.00424	2.0
112.04011	1.9
113.02443	2.3
113.06120	19.7
114.05633	16.6
114.06344	2.9
116.77079	1.5
123.04491	4.1
125.06100	40.1
126.06490	2.5
127.00399	6.9
127.07668	26.3
128.08015	2.4
135.93509	1.9
137.02530	2.7
137.06110	8.3
138.01523	2.3
140.01169	7.4
154.99921	11.9
155.03705	8.8
155.07173	35.6
156.04591	3.3
156.06601	20.0
156.07713	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03435	0.6
59.01372	1.4
61.86312	0.3
64.82865	0.3
68.99822	0.8
69.03465	0.5
71.01386	1.0
71.70873	0.8
74.73107	0.3
78.30903	0.3
83.05040	0.3
83.15711	0.3
84.99316	1.2
85.02972	0.8
88.22146	0.3
95.05049	0.4
99.00884	1.9
110.06144	0.7
111.08176	0.4
112.07698	4.4
113.06099	92.8
114.05634	0.6
114.06427	5.4
114.09263	0.8
115.00372	1.4
127.00379	2.8
130.06651	0.7
139.07632	0.3
140.07202	3.9
156.06677	13.3
156.89516	1.0
157.04100	0.2
157.05084	9.8
157.08693	1.5
157.12343	1.9
158.06123	2.9
158.08238	100.0
163.06438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.18050	0.1
61.12552	0.1
61.68568	0.1
61.82841	0.1
65.03980	0.2
66.03486	5.2
67.01883	0.2
67.03814	0.2
68.99791	0.1
69.03460	0.3
71.71446	0.1
79.08392	0.1
80.05097	0.1
80.96551	0.2
81.03471	1.0
83.01407	0.4
85.02933	0.2
85.12379	0.1
91.01920	0.2
95.01421	0.2
97.02985	0.1
97.06557	0.1
107.01429	0.3
107.05037	0.1
108.02183	1.3
108.04591	1.1
109.02970	17.3
109.06593	0.5
110.00122	0.8
115.44456	0.1
121.02927	0.6
122.03757	33.3
123.00954	0.1
123.04030	2.2
124.04073	0.2
124.04871	0.2
125.02454	1.1
130.89371	0.1
135.04523	0.6
137.02007	0.6
137.99605	1.2
151.00395	0.3
152.03551	100.0
153.01936	5.6
153.03882	7.3
153.05603	0.6
153.09207	0.2
153.12872	0.2
157.93372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.056
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
51.49199	0.2
54.81186	0.2
59.01384	0.2
60.99326	0.2
65.03962	0.2
66.03488	1.3
66.53992	0.2
67.01897	0.3
67.03828	0.3
67.58812	0.2
68.99831	0.5
69.03451	0.6
70.01459	0.3
70.01762	1.2
72.99297	0.3
80.02699	0.6
81.03462	2.1
82.02984	0.5
83.01407	0.5
83.05023	0.5
85.02990	0.2
93.03468	0.8
95.01415	0.4
95.05032	2.3
96.96030	0.2
96.99368	0.3
97.02961	0.5
97.06628	0.2
105.03487	0.4
107.05065	0.5
108.02184	1.8
109.02974	16.7
109.06602	1.3
110.00117	2.4
110.02526	0.5
110.03316	0.9
110.06130	1.1
110.63364	0.2
111.00970	0.3
111.04507	0.4
112.04060	0.3
121.02973	0.3
122.03763	2.2
123.04541	100.0
124.01665	0.4
124.04050	7.0
124.04887	6.1
125.02469	2.4
125.06077	0.4
126.01959	0.3
135.04572	1.1
135.08246	0.3
136.04073	2.9
137.99609	3.1
138.02145	0.3
138.03191	0.3
139.02797	0.4
151.00357	0.4
153.01971	7.6
153.05592	21.0
153.09097	1.0
153.12807	0.3
153.86932	0.5
154.01312	0.4
154.02417	0.6
154.05016	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	149.0458
Annotation	alpha-L-Arabinose
Peak:m/z	Relative Intensity
59.01385	15.8
69.03442	2.5
69.78262	8.6
71.01383	28.5
72.97320	1.3
72.99303	5.7
73.02951	22.1
75.00880	27.2
75.98360	1.4
82.68788	1.2
85.02959	2.1
87.00888	11.5
89.02451	100.0
90.02791	2.1
93.40568	1.2
95.02789	1.4
98.94253	1.3
103.04019	8.2
104.04362	1.6
106.22157	1.2
131.03522	14.9
149.04568	69.8
150.04904	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	149.0458
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
55.61118	1.0
59.01381	14.8
69.03460	3.2
69.77743	4.0
69.78166	3.1
71.01389	31.2
72.01765	1.5
72.99310	4.8
73.02953	22.8
74.03268	1.0
75.00887	18.9
77.93000	0.9
85.02974	2.1
87.00890	10.7
89.02460	100.0
90.02791	3.2
101.02441	2.5
103.04025	7.7
119.56871	0.9
131.03522	15.5
149.04582	59.9
150.04958	3.9
162.57819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0562
Annotation	Acetaminophen
Peak:m/z	Relative Intensity
54.12231	0.1
58.18568	0.1
59.01377	1.3
60.01704	0.2
60.15566	0.1
66.03489	0.4
67.01907	0.2
67.03007	0.1
69.03449	0.3
71.01388	1.4
71.70953	0.2
71.71333	0.2
72.01726	0.2
73.02943	0.4
74.06595	0.1
74.80624	0.1
79.01894	0.2
79.95736	0.5
81.03461	0.5
85.02934	0.1
89.02462	1.1
90.02798	0.3
93.03483	0.5
95.01388	0.5
95.05057	0.4
97.02925	0.2
101.02451	0.9
106.06648	0.2
107.01405	0.3
107.03839	0.9
107.05041	3.0
108.02193	2.0
108.04569	100.0
109.02959	0.5
109.04227	0.3
109.04897	5.8
109.06559	0.2
117.01991	0.2
121.02975	0.4
122.02498	0.2
122.03188	0.2
122.03771	0.5
123.00912	1.0
123.01791	0.1
123.04549	3.9
124.01619	0.2
132.04561	0.6
133.02960	0.2
133.05084	0.2
135.04118	0.4
136.01682	21.4
150.00240	1.5
150.01953	0.2
150.03172	0.8
150.05632	4.7
150.06599	0.2
151.00394	0.4
151.04037	9.2
151.05934	1.1
151.07489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
53.28129	0.2
54.60989	0.2
61.53395	0.2
66.03490	5.4
67.01891	0.3
67.03822	0.3
67.35114	0.2
68.17853	0.2
69.03448	0.3
69.62675	0.2
70.86936	0.5
78.03487	1.4
80.02687	0.4
80.96540	0.2
81.03461	1.6
83.01398	0.4
85.02971	0.5
95.01375	0.3
97.02974	0.4
104.01456	0.3
106.03040	0.4
107.03107	0.4
107.03790	5.0
107.05013	0.3
108.02190	1.9
108.04613	1.3
109.02971	25.6
109.06606	0.7
110.00117	1.0
110.02523	0.2
121.02968	0.6
122.02392	0.7
122.03761	24.5
123.04037	1.3
124.04893	0.2
125.02449	1.2
129.39761	0.2
131.23103	0.2
135.04579	0.5
137.01996	0.7
137.99594	1.2
143.63196	0.2
152.03554	100.0
153.01952	7.9
153.03891	7.0
153.05576	0.8
165.94543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0304
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03450	10.5
58.00593	4.7
59.01383	100.0
60.01726	2.9
65.60069	2.0
67.01931	3.0
70.40206	5.2
70.40604	4.0
70.95969	2.3
71.01391	26.6
72.99319	10.8
75.00887	27.6
83.01399	7.5
85.02983	5.8
86.88602	2.0
87.00901	6.5
89.02470	7.2
99.00907	10.8
101.02453	5.2
102.05615	11.0
103.05965	21.3
104.06060	2.7
111.00905	8.9
129.01968	11.5
129.03929	14.6
130.04080	2.3
147.03020	11.7
147.04929	6.3
147.76305	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0455
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
69.52047	36.2
69.52472	33.0
74.29446	7.2
91.44643	8.6
97.12720	7.5
101.04013	7.7
119.05022	14.8
147.04561	100.0
152.99593	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	147.0454
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
65.34998	6.8
70.49247	25.3
119.05055	14.5
147.04536	100.0
148.04887	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	147.0666
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
52.36843	1.7
57.03453	21.6
57.59116	1.7
59.01383	18.2
60.60461	1.8
62.33365	1.8
69.73465	5.7
69.73880	7.4
70.34936	1.6
71.01385	6.9
71.05027	49.2
71.47891	1.8
72.05359	3.7
72.99317	6.0
73.06598	11.3
75.00877	4.7
75.26090	1.7
83.05034	11.8
85.02436	2.9
85.02963	57.6
86.03297	3.2
87.00886	84.4
88.01206	2.8
93.67932	1.9
98.19949	3.8
98.20591	2.9
99.00892	2.5
99.04537	6.1
101.02462	7.7
101.06101	98.1
102.06407	3.9
103.04049	12.4
129.01962	27.4
134.00859	1.9
145.05067	2.3
147.03026	32.6
147.06656	100.0
148.03369	2.0
148.06970	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	147.0666
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
55.16878	1.3
55.95466	1.3
57.03447	15.0
59.01388	7.2
71.01384	4.4
71.05027	76.3
71.65030	2.7
72.05367	3.6
72.99322	12.1
73.02953	5.0
73.06590	4.4
75.00877	6.7
75.18398	1.4
83.05034	8.7
85.02966	49.1
86.03292	2.8
87.00879	14.5
99.00919	1.6
99.04541	2.8
101.02450	21.1
101.06099	48.5
102.06451	2.5
103.04029	13.6
110.65297	1.5
129.01974	3.9
129.05594	3.2
147.03003	4.5
147.06660	100.0
148.07001	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	147.0303
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
55.01877	2.4
57.03449	13.0
57.40968	2.1
58.00596	4.7
59.01381	100.0
62.22234	2.4
65.69805	2.3
71.01386	29.6
71.28230	4.6
71.86120	2.4
72.99310	8.2
75.00883	35.5
83.01403	6.4
85.02981	7.5
85.69494	2.4
87.00890	9.7
89.02438	8.8
98.20176	2.8
99.00888	9.5
101.02444	5.1
102.05612	9.9
103.05344	3.0
103.05971	21.2
111.00883	8.4
117.01993	2.4
129.01945	10.2
129.03920	13.8
130.04001	3.6
146.86710	11.7
146.95241	3.1
147.03082	12.2
147.04866	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	146.0463
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
50.10033	0.4
52.31911	0.5
53.36494	0.5
53.93778	0.4
57.03449	2.6
58.00599	0.8
59.01086	0.9
59.01380	16.7
71.01391	6.6
71.62611	0.7
72.99314	2.3
74.02479	0.9
75.00887	4.9
82.02947	1.0
83.01393	1.5
83.05684	0.4
84.04559	1.2
85.02956	1.7
87.00859	0.9
89.02449	1.6
99.00890	2.0
100.04066	0.5
101.02451	1.8
102.05623	100.0
103.05347	0.6
103.05956	4.7
111.00902	1.2
112.17343	0.5
128.03561	42.1
129.01974	2.4
129.03929	2.6
139.03802	0.5
146.04610	22.8
146.86707	1.6
146.95232	0.5
147.03040	2.8
147.04922	1.2
161.17204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0145
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
52.24741	3.9
54.48890	3.2
57.03446	26.9
59.01392	5.1
71.01390	22.8
72.99317	4.4
73.02968	17.0
74.02494	8.1
83.01407	7.1
87.00885	8.7
98.20081	19.0
99.00895	4.4
101.02460	100.0
102.02787	5.9
102.05621	89.6
115.00403	10.4
127.00381	5.0
128.03568	41.7
145.01460	14.2
146.04622	22.0
155.82036	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	145.0874
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
53.89576	0.6
54.24520	0.7
62.25714	0.6
71.01363	0.9
71.41707	1.6
71.42069	0.9
83.05048	1.1
97.06601	2.2
99.08171	100.0
100.08511	7.0
101.06080	1.0
113.81837	0.6
118.02999	1.4
127.07649	1.3
131.25252	0.8
143.07115	1.4
145.04994	2.0
145.08730	55.0
146.02562	4.6
146.08083	0.8
146.09042	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9989
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00304	18.9
58.49665	2.6
59.01382	19.9
59.31239	2.7
68.99821	3.7
69.84010	19.2
71.01385	47.0
72.34885	2.6
85.02952	3.7
87.00906	8.5
87.56207	2.6
96.99320	14.2
112.98809	23.1
113.79320	2.7
124.98824	47.9
140.98337	6.8
142.99884	100.0
144.00182	4.6
151.98853	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	143.0717
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
53.00293	4.9
55.01889	5.4
55.80327	3.6
57.03454	19.6
59.01372	10.7
68.99815	3.8
69.03442	20.4
69.13924	3.4
71.01386	73.7
71.05032	10.8
71.71708	5.8
72.99335	4.6
73.02953	10.6
81.03480	13.1
83.01396	6.1
83.05045	16.1
85.02953	49.3
85.03392	5.5
87.00896	16.2
87.04539	8.5
97.02966	14.4
97.06571	20.7
98.06069	4.6
99.04521	14.5
99.08166	98.0
100.04095	4.7
100.08504	7.9
101.02458	5.4
112.98849	5.5
113.02455	11.2
118.94951	4.4
124.98826	13.6
125.02480	20.1
125.06100	30.3
126.05605	4.4
142.05132	15.0
142.99872	31.0
143.03511	25.0
143.07057	75.4
143.10846	19.0
144.04587	100.0
144.06642	70.8
144.07669	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.03459	0.2
59.01385	1.0
61.98825	0.3
65.32648	0.2
65.99864	0.3
69.03461	0.2
71.01395	1.4
71.04182	0.6
72.99319	0.4
73.02954	0.4
79.23267	0.2
80.15944	0.2
81.03481	0.4
83.01389	0.4
83.05037	1.5
85.02960	0.7
86.03281	0.3
87.00884	0.7
90.06091	0.2
98.06139	0.3
99.00886	0.3
99.04528	0.3
99.08186	0.2
100.07654	0.4
100.39724	0.2
101.02448	0.3
101.06100	1.6
102.03495	0.6
102.05614	0.3
115.00381	0.6
116.05083	0.7
117.03455	0.3
118.96007	0.2
125.02505	0.3
127.03995	0.3
139.45796	0.2
139.80786	0.3
142.05099	0.8
144.04573	100.0
144.06664	4.9
144.96507	0.2
145.01430	0.5
145.03004	0.6
145.04939	10.8
145.08728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56399	0.3
69.01737	0.2
69.40125	0.4
69.40269	0.4
69.40693	2.6
69.40911	0.5
69.41026	0.5
71.01392	0.4
72.93975	0.3
84.70177	0.3
88.68703	0.3
89.68026	0.3
106.52166	0.3
116.05085	1.5
140.05060	0.9
142.06645	100.0
143.06998	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20950	1.7
53.00310	16.3
55.01875	1.9
58.02973	6.6
59.01385	12.4
67.01885	6.0
68.99840	2.8
69.03460	3.1
69.95202	10.9
71.01389	57.4
71.05030	2.3
72.99310	4.4
73.02927	2.1
80.99819	5.0
81.03484	2.0
82.02947	2.1
83.01410	3.3
85.02970	12.4
87.00896	13.8
89.21686	1.7
96.99336	14.8
97.02974	2.7
98.20390	4.0
99.00877	3.3
99.04532	5.0
102.05638	7.0
111.00896	26.5
112.98833	25.1
115.00395	3.2
124.97944	2.4
124.98837	40.6
140.98318	9.9
142.94362	1.9
142.99887	100.0
143.03526	5.5
144.00215	7.0
144.06680	5.0
156.66777	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	139.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	17.3
62.87418	3.0
67.01893	26.9
68.01418	8.9
68.99819	18.3
69.03460	5.0
70.23811	2.5
71.28839	6.7
79.95734	9.0
83.01401	17.3
83.05062	3.4
93.03476	8.9
94.50654	2.9
94.98098	14.4
95.01389	12.3
95.05029	17.5
96.00921	3.8
96.04602	5.4
97.02974	8.0
98.02502	3.5
109.02483	3.9
111.00906	100.0
111.04516	5.8
112.01230	5.7
123.00863	6.0
124.01669	6.9
136.53508	3.1
138.85991	8.9
138.89026	6.9
139.00400	58.7
139.02319	10.9
139.04036	25.8
139.05037	5.2
139.07666	11.4
139.99892	3.5
140.00842	3.9
140.03539	14.0
140.04489	3.3
140.07155	5.4
149.11578	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	141.0924
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
52.31037	2.6
55.01881	5.2
57.03440	4.1
59.01382	31.4
61.17802	2.5
61.89025	2.3
66.92195	2.8
67.01881	3.5
68.99825	31.5
69.03452	12.2
69.46400	24.3
71.01396	6.8
83.01403	4.4
85.02979	16.4
95.01413	11.8
97.02982	9.7
99.00893	5.4
100.04078	3.0
111.00900	14.1
113.02486	7.4
123.00864	6.4
123.08184	8.4
125.02459	3.3
128.97145	2.7
130.52869	2.6
140.98221	2.8
141.01982	30.3
141.09244	100.0
141.86812	4.0
142.05109	7.2
142.06635	76.0
142.09599	13.5
154.08171	2.7
157.58302	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	142.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54929	0.5
69.65203	2.9
69.65612	0.9
71.01400	0.6
84.38320	0.4
96.97916	0.5
101.21241	0.4
111.68160	0.5
116.05077	1.2
128.33112	0.5
142.06642	100.0
143.06995	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	142.0664
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.71845	0.4
69.39200	0.5
70.92724	0.7
70.93080	0.5
110.83074	0.3
116.05090	1.9
140.05092	0.7
142.06639	100.0
143.06995	10.4
156.20589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0303
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01873	0.4
58.00590	0.4
59.01381	10.2
59.54049	0.4
66.03500	0.7
70.37499	1.6
70.37871	0.7
71.01389	4.3
72.99316	14.9
73.02949	0.5
75.00880	100.0
76.01207	3.0
79.95738	0.5
79.99373	0.4
85.02486	0.3
85.02937	1.8
87.00882	2.9
89.02465	8.3
90.02797	0.4
93.03448	0.6
99.00929	0.6
107.05062	1.2
108.04564	0.6
117.01937	2.3
126.83967	0.3
134.03740	2.0
134.89462	2.5
135.03024	32.5
135.04555	20.4
136.03333	1.1
136.04901	2.0
150.85266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.02
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.62804	0.3
65.97720	0.2
70.90125	0.4
70.90506	0.4
83.01447	0.2
87.98166	0.2
93.04344	0.2
95.82912	0.3
107.34973	0.3
108.02191	46.2
109.02521	3.4
138.01990	100.0
139.00500	0.2
139.02361	5.5
142.96376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0041
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
52.40942	1.6
67.01894	100.0
68.02223	5.0
68.99821	38.3
71.02410	3.9
71.02773	2.7
77.52956	1.8
79.95745	19.9
94.98096	36.4
95.01405	49.8
95.05964	1.7
96.01759	3.0
103.27069	1.9
111.00905	5.1
138.97121	8.6
139.00380	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	133.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
57.69470	0.7
59.01374	2.3
63.85226	0.6
69.86384	4.6
71.01389	100.0
72.01730	3.4
72.99317	16.1
87.00886	18.0
87.04525	5.2
89.02456	13.4
98.20371	1.6
102.90269	0.6
107.62685	0.7
115.00393	97.4
116.00745	4.1
126.30611	0.7
133.01460	28.0
133.05081	27.5
134.01796	1.5
134.04636	1.1
134.05507	1.3
148.04024	0.7
154.07610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.051
Annotation	3-Deoxypentosone
Peak:m/z	Relative Intensity
57.03437	2.8
58.10805	1.1
59.01378	3.7
71.01387	100.0
71.47990	2.2
72.01718	2.6
72.99318	5.0
77.05256	1.0
85.02959	1.6
86.41113	1.0
87.00885	44.9
87.04516	11.1
88.01207	2.1
88.04826	1.1
89.02450	15.3
89.19856	1.0
106.07677	1.0
107.03634	4.7
112.27396	1.0
114.10662	1.1
115.00388	33.5
132.86807	1.6
133.01465	7.9
133.05092	73.8
134.04686	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	134.0476
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01437	0.6
67.05182	0.3
68.02551	0.4
69.85306	2.1
72.44050	0.3
75.00881	1.3
76.21080	0.3
92.02566	5.6
102.88739	0.3
102.91959	0.3
107.03658	26.0
108.03331	0.3
108.04006	0.8
134.04755	100.0
135.03003	0.7
135.04401	1.9
135.05116	3.7
138.64046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
58.00590	0.4
59.01381	10.2
59.54049	0.4
66.03500	0.7
70.37499	1.6
70.37871	0.7
71.01389	4.3
72.99316	14.9
73.02949	0.5
75.00880	100.0
76.01207	3.0
79.95738	0.5
79.99373	0.4
85.02486	0.3
85.02937	1.8
87.00882	2.9
89.02465	8.3
90.02797	0.4
93.03448	0.6
99.00929	0.6
107.05062	1.2
108.04564	0.6
117.01937	2.3
126.83967	0.3
134.03740	2.0
134.89462	2.5
135.03024	32.5
135.04555	20.4
136.03333	1.1
136.04901	2.0
150.85266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32424	1.0
55.59436	0.9
69.03468	1.9
69.37859	11.6
69.38194	2.2
70.71607	1.0
73.02962	2.4
82.77537	0.9
82.78766	1.0
85.06599	100.0
86.06916	5.9
113.06114	1.4
124.69691	0.9
131.07166	59.0
132.07520	3.9
141.94029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0717
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
53.95414	0.9
57.03454	1.1
59.01386	1.9
63.34108	0.8
69.03457	1.9
70.08883	4.8
71.01382	3.8
73.02953	8.2
85.02953	3.3
85.06602	100.0
86.06937	4.5
87.04501	1.4
93.91348	0.9
101.02470	1.2
113.02455	1.1
113.06136	2.0
116.90847	0.8
122.20126	0.8
129.05595	1.7
131.03490	1.1
131.07161	62.8
132.07481	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93254	0.8
59.01370	1.4
70.01923	3.2
70.30309	0.8
71.01388	62.9
72.01715	1.4
72.99313	15.3
81.65923	0.6
83.82964	0.7
85.37167	0.7
87.00883	2.6
89.02451	8.1
98.20538	1.2
102.52947	0.7
115.00392	100.0
116.00017	0.7
116.00718	4.5
116.92774	0.8
131.65276	0.8
133.01457	27.9
133.05077	3.8
134.01753	1.1
134.04744	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
58.56199	0.7
59.01366	1.4
67.33440	0.6
70.77577	2.0
70.77943	0.7
71.01385	70.8
72.01717	2.4
72.98924	1.2
72.99311	16.4
74.00626	0.7
82.47411	0.6
87.00883	2.0
89.02454	7.4
115.00387	100.0
116.00731	5.5
133.01456	28.4
133.05112	2.1
134.01805	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	129.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
56.43999	0.5
57.03431	2.4
59.81818	0.5
67.01895	5.1
68.99817	1.1
71.40829	1.0
73.02962	0.6
73.88316	0.5
76.22891	0.5
77.93464	0.4
85.02962	23.6
86.03288	0.9
94.29694	0.4
129.01939	2.8
129.05580	0.6
129.07542	1.7
130.08755	100.0
138.14037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
67.01894	1.1
70.96569	1.3
83.01398	0.5
85.02962	100.0
86.03294	4.5
99.87629	0.5
101.02424	0.4
102.41635	0.4
105.38062	0.4
113.93382	0.5
128.89259	6.8
129.01961	6.0
129.89377	0.6
141.95897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Itaconic acid
Peak:m/z	Relative Intensity
51.52987	0.6
53.54107	0.5
56.51654	0.5
57.03449	1.2
65.42276	0.5
67.01892	1.3
71.04179	1.6
77.65601	0.6
85.02959	100.0
86.03290	4.2
88.21268	0.6
101.85400	0.6
129.01961	6.4
129.05597	8.5
145.00545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
50.47670	0.9
53.54830	1.0
55.01878	2.4
57.03446	3.9
67.01897	6.1
68.99814	3.3
70.18533	2.1
70.18941	2.7
71.01381	2.9
72.91237	0.9
72.99314	1.1
73.02950	2.5
75.61752	0.9
83.01414	1.1
83.05037	1.0
85.02959	73.7
85.06602	2.0
86.03301	4.2
86.06092	1.0
87.00888	2.0
88.04060	2.3
99.04532	5.1
101.02463	2.7
128.90190	3.0
129.01033	1.6
129.01945	12.6
129.05598	100.0
130.05943	6.4
130.08757	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0877
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.96517	0.6
57.23100	0.7
69.85692	4.0
73.02951	1.3
86.03262	0.8
87.04513	1.2
98.19883	1.2
130.08762	100.0
131.09113	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.38130	1.0
59.13312	1.2
65.06532	0.9
69.64859	3.0
69.65265	4.9
80.54829	1.1
88.28522	0.9
91.05536	3.1
96.09271	0.9
101.03983	40.2
102.04316	2.0
117.03487	18.1
118.03830	2.0
118.73499	0.9
119.05044	100.0
120.05386	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	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26083	0.9
55.90477	1.0
59.01389	1.4
59.85954	0.9
71.01382	1.9
91.05558	1.5
101.03985	31.6
102.04352	1.7
117.03479	16.8
118.03844	1.1
118.92679	1.6
119.05042	100.0
120.05383	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	121.0292
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.07224	1.0
61.35231	1.1
63.70986	1.0
66.03486	1.2
71.71493	1.4
93.03484	3.1
94.02987	14.5
99.30377	1.1
108.02197	1.7
118.40390	1.1
121.02979	100.0
122.02497	20.8
122.03340	5.8
130.48019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
66.03496	0.3
70.92092	0.5
73.61749	0.2
85.67097	0.2
91.01917	0.6
93.03474	2.0
94.03005	2.6
95.01392	0.4
108.02189	2.1
121.02979	100.0
122.02499	3.5
122.03326	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	129.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.9
59.01381	0.8
65.38464	0.8
66.07932	0.8
67.01888	7.3
71.05812	2.4
85.02958	100.0
85.06590	1.0
86.03288	4.2
87.56433	0.7
126.63415	0.8
129.01955	8.8
129.05591	16.1
129.07538	1.1
130.08727	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.01877	0.6
59.01087	0.6
59.01377	7.7
61.65180	0.4
66.34217	0.5
68.04729	0.4
69.50414	1.4
69.50838	2.6
70.25052	0.4
71.01387	8.2
72.01717	0.6
72.99310	8.6
73.02956	1.3
73.54142	0.4
75.00877	4.0
89.02444	0.7
91.05556	0.8
93.03473	3.2
98.19901	0.8
100.14822	0.4
101.02451	1.4
101.92406	0.9
113.93343	0.5
118.92625	2.4
118.93415	0.8
118.99863	1.0
119.03549	6.7
119.05038	100.0
120.05369	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.27193	0.4
59.01377	3.4
61.76481	0.4
71.01389	3.7
71.10735	0.4
71.71275	0.6
72.99301	0.8
73.02930	0.6
75.00861	0.8
85.22671	0.4
91.05542	1.2
93.03453	2.0
101.03987	1.1
101.92439	1.3
117.03516	0.9
118.92670	5.8
119.02559	1.7
119.05042	100.0
120.04535	0.5
120.05373	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	1187.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02975	1.1
94.02998	15.6
94.06667	0.4
95.03332	0.2
95.05045	0.4
96.04575	1.4
101.02468	0.3
102.73161	0.2
105.05894	0.7
108.04592	1.0
110.06133	2.7
120.08211	14.0
121.05347	0.7
121.08583	0.5
122.06133	4.8
133.03009	0.2
134.06129	0.6
135.04555	0.3
136.04076	0.6
137.04918	0.5
138.05626	7.0
144.04572	2.2
146.06203	0.3
147.04565	0.3
149.02405	0.2
150.05643	0.9
152.07217	0.9
157.68990	0.2
160.04112	0.4
161.02466	0.6
161.04849	0.5
162.05612	1.0
164.07166	1.2
172.04123	0.3
172.07739	0.3
173.04881	0.5
174.05640	1.9
175.06178	0.2
188.03581	0.9
199.08823	0.4
200.07224	0.4
203.05890	2.7
203.11868	0.4
204.06627	0.5
211.08798	0.3
213.10399	0.6
215.11877	1.4
222.07968	0.6
223.08804	1.4
224.09596	0.3
225.13986	0.5
226.10857	0.2
227.11975	0.3
233.12984	0.2
235.08572	0.2
235.12456	0.3
236.09514	2.0
237.10320	3.1
237.14009	0.2
238.11133	0.6
239.08276	0.5
239.11966	0.8
247.12486	0.3
248.09669	0.3
249.10339	1.3
249.13965	0.8
250.07617	0.8
250.11024	1.4
251.11882	10.7
252.08965	0.3
252.12459	1.1
253.09796	0.6
255.11414	0.3
257.12958	0.8
259.10983	0.4
259.14371	0.2
261.12479	1.2
262.07571	0.5
262.11108	0.4
263.08307	2.5
263.11926	2.8
264.09070	2.4
264.12613	1.0
265.09863	1.0
265.13489	3.7
266.06982	0.3
266.10474	0.7
266.13730	0.3
267.07706	0.3
267.11310	0.9
267.15326	0.3
268.08670	0.5
269.09259	0.3
269.12964	0.2
271.02551	0.6
271.10794	0.2
272.02734	0.2
273.12460	0.3
275.08246	0.5
275.11993	0.4
276.09015	2.9
277.09827	13.2
278.10498	4.7
279.08179	0.4
279.11270	2.7
280.12183	0.8
281.09314	1.3
281.12753	0.5
282.10101	0.8
283.10901	1.7
284.11609	0.4
285.12408	0.5
290.10461	0.3
291.11398	15.9
292.12140	15.4
293.09372	0.4
293.12915	13.9
294.13541	1.8
295.10828	1.0
295.14084	0.3
296.08313	0.4
296.11639	0.7
300.02917	1.0
301.03073	0.3
301.11905	0.6
303.13620	1.4
306.10123	0.4
307.10895	0.4
308.11508	0.2
309.08905	0.4
309.12543	0.6
310.09662	0.4
311.10275	0.8
312.11166	0.3
313.12033	0.8
314.12469	0.2
318.09976	0.5
319.10623	1.2
320.11325	0.2
322.09671	0.3
322.16147	0.2
323.10358	0.5
324.11249	2.6
325.11813	1.7
325.15326	0.4
326.12537	0.5
329.14011	0.7
331.13156	0.3
332.14230	0.5
335.10376	8.2
335.14502	0.4
336.11136	9.1
337.11853	4.5
338.12628	0.7
342.12616	0.2
343.13010	0.9
344.14041	0.7
344.17798	0.4
345.14893	0.3
346.15527	1.7
346.19144	0.3
347.16211	0.4
348.17038	0.3
356.14053	0.3
357.14813	0.3
358.15607	0.8
358.19409	0.3
359.16193	0.6
360.13480	0.3
360.17297	2.9
361.17758	0.5
362.18805	0.6
369.14847	0.4
372.13431	0.4
372.17252	4.1
373.18146	1.1
374.14926	0.8
374.18829	1.9
375.19534	0.3
376.16550	0.3
377.17261	0.3
385.13986	0.2
386.14563	1.1
387.15640	0.4
388.16522	2.2
388.21011	0.4
389.17133	0.9
390.18280	1.3
398.15134	0.4
399.15787	0.3
400.16711	0.6
401.17215	0.4
402.14322	0.3
402.18405	2.9
403.18814	0.8
404.15961	0.6
405.16785	0.3
406.17480	1.2
407.18079	0.4
412.16928	0.3
413.17383	0.5
414.18277	7.3
415.18927	2.2
416.15799	0.3
417.16840	0.3
418.17737	4.2
419.18192	0.8
421.16577	0.5
429.17188	0.3
430.17590	0.5
431.18375	0.6
432.19470	4.3
433.20258	1.0
434.21185	0.4
436.18994	1.3
440.16241	0.6
441.16946	0.8
446.16229	1.1
447.18069	1.5
448.18726	0.4
457.22128	0.5
458.17224	3.3
459.17941	6.6
460.18350	0.8
469.22610	1.1
470.23102	0.2
476.18268	9.2
477.19006	8.1
477.25854	0.4
478.19684	1.4
490.19693	1.9
491.19998	0.2
496.20801	0.3
499.23572	0.6
508.20883	21.9
509.21228	2.5
511.23520	2.3
512.24054	0.3
524.20526	0.2
529.24457	1.9
537.21423	0.3
543.22736	0.3
553.24390	0.9
555.22467	1.7
556.23114	0.2
571.25702	1.0
573.14667	0.2
573.23480	5.3
574.23987	1.0
575.25140	0.4
585.23694	0.4
587.25067	1.9
588.25409	0.3
589.26440	0.6
597.23492	1.7
603.24506	0.7
605.26190	33.1
606.26556	4.9
615.24799	8.0
616.24872	1.0
617.26111	0.6
621.15027	0.7
622.15234	0.3
629.26282	2.3
633.25763	22.9
634.26160	3.5
635.27472	1.2
647.27356	24.1
648.27722	3.5
665.28375	100.0
666.28674	16.1
667.28674	0.7
774.90405	0.2
1187.41455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	1.9
84.02168	0.2
85.02961	5.5
86.00105	0.2
87.00882	2.6
88.98798	0.2
89.02453	6.3
95.01400	2.3
97.02969	2.2
98.19804	0.2
99.00896	1.4
99.04534	0.3
101.02457	9.4
101.05917	0.1
102.02771	0.2
109.02949	0.4
111.00903	0.6
112.01663	0.3
113.02464	10.1
114.02781	0.3
115.04023	0.2
119.03523	3.0
119.05013	0.2
119.79566	0.1
121.02971	0.3
123.00893	0.1
123.04558	0.3
124.01667	0.3
125.02460	4.9
127.04000	0.2
129.01938	0.2
131.03523	3.0
132.02257	0.2
133.02939	0.3
135.04521	0.3
137.02483	0.3
139.04054	0.7
141.02008	0.2
143.03522	4.0
143.10754	0.2
145.02962	0.4
149.02454	0.5
149.04524	0.4
150.03175	0.2
153.05678	0.1
155.03511	1.0
159.03053	0.7
161.02417	0.5
161.04575	7.1
162.04901	0.2
163.04001	0.4
165.05554	0.2
167.03505	0.5
169.36200	0.1
173.04550	0.4
175.04004	0.2
176.90149	0.1
177.20023	0.1
179.03621	0.3
179.05626	4.4
185.04573	0.4
189.05568	0.3
190.02711	0.4
191.03363	0.2
193.05122	0.2
203.05615	0.4
205.03490	0.2
205.05161	0.3
221.06671	5.8
222.06960	0.3
223.06189	0.2
230.11864	0.2
235.19873	0.1
245.06664	0.2
257.06577	0.7
263.07739	1.4
269.06625	0.7
275.07767	0.7
282.76166	0.1
295.33664	0.1
305.08667	0.8
305.11948	0.2
323.09805	4.6
324.10263	0.2
347.09906	0.1
365.10858	0.3
383.11951	4.9
384.12317	0.3
393.17725	0.4
467.14371	0.2
471.34787	100.0
472.35120	14.0
485.15121	5.3
485.36212	0.5
486.15314	0.4
503.16174	0.3
527.16138	1.0
545.17163	12.9
546.17407	1.0
609.36554	2.0
610.36957	0.2
629.19202	0.3
633.40125	1.6
634.40173	0.3
647.20490	9.6
648.20782	0.9
649.39520	0.1
717.42462	0.4
729.42218	1.6
730.42401	0.2
741.42352	1.1
742.41937	0.3
759.43347	0.9
777.44690	0.6
795.45544	0.3
807.30194	0.1
837.47253	0.2
913.51849	0.8
939.50385	0.2
957.51025	16.1
958.51215	3.0
999.52051	1.4
1000.52087	0.2
1074.56458	0.3
1075.56189	1.5
1076.57251	0.2
1092.56580	0.3
1093.57275	0.8
1101.54956	0.3
1119.56213	75.0
1120.56409	20.1
1134.57458	0.3
1135.58386	2.8
1136.58374	0.4
1179.53992	1.1
1180.49231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.6886
Annotation	Unknow
Peak:m/z	Relative Intensity
85.76877	0.1
89.02052	0.1
89.02539	0.1
98.19842	0.1
113.16602	0.1
113.47359	0.1
125.02540	0.1
175.11436	0.3
189.13007	0.2
235.08276	0.1
257.19211	0.1
277.21780	0.3
325.25476	0.1
377.28537	0.2
379.30151	0.2
391.30136	0.3
393.31610	0.3
397.13446	0.7
398.13672	0.1
407.29562	0.2
408.29599	0.1
409.31268	0.1
410.31717	0.2
413.34204	0.4
415.14566	0.2
421.31085	1.0
423.29037	5.1
424.29477	0.8
426.31360	0.1
437.30594	2.5
438.30838	0.8
439.32230	14.1
440.32556	1.4
455.31638	1.5
456.31961	1.3
457.33237	2.8
458.33606	0.3
465.30264	0.6
469.33472	0.2
483.31253	2.1
484.31512	0.2
487.30777	0.3
499.30658	7.5
500.31000	8.1
501.32172	100.0
502.32516	10.8
502.40326	0.1
503.33347	0.7
675.34729	0.1
922.84790	0.1
1098.70581	0.1
1177.53235	0.5
1178.54993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.582
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	1.9
83.05067	0.2
85.02964	5.9
86.00113	0.2
87.00890	2.8
88.98773	0.2
89.01905	0.3
89.02459	6.0
93.03476	0.2
95.01402	2.1
96.45464	0.1
97.02972	2.0
99.00904	1.4
101.02462	10.3
102.02794	0.3
109.02970	0.6
111.00897	0.6
111.04515	0.2
112.01682	0.4
113.02473	10.9
114.02809	0.3
114.71947	0.1
115.03996	0.2
117.03472	0.1
119.03527	3.3
119.05023	0.4
121.02988	0.3
123.00919	0.3
123.04530	0.2
124.01662	0.3
125.02467	4.6
127.04063	0.3
129.01973	0.3
131.03529	2.6
132.03906	0.1
133.02972	0.3
133.76213	0.1
134.03770	0.2
135.04550	0.5
137.02472	0.6
139.04039	0.5
141.01939	0.2
142.35931	0.1
143.03537	3.9
143.10808	0.3
145.02972	0.2
149.02441	0.4
149.04573	0.2
150.03172	0.1
151.04025	0.2
155.03506	1.0
159.03015	0.8
160.01674	0.4
161.02435	0.6
161.04585	7.0
162.04883	0.2
163.04019	0.4
165.01974	0.2
165.05591	0.4
167.03535	0.6
173.04535	0.3
175.00500	0.2
175.04085	0.2
179.03387	0.2
179.05647	4.8
180.05850	0.2
185.04617	0.4
189.05586	0.4
190.02679	0.4
191.03323	0.2
193.05104	0.2
203.05579	0.3
205.05058	0.4
221.06680	6.2
222.07108	0.2
223.06053	0.3
234.86760	0.1
245.06726	0.2
257.06641	0.6
263.07745	1.5
269.06592	0.7
275.07690	0.8
278.57813	0.2
287.07736	0.2
292.27478	0.1
305.08850	0.9
323.09882	4.3
324.10193	0.2
365.10953	0.2
383.11969	5.2
384.12247	0.3
393.17642	0.5
470.33057	0.2
471.34818	100.0
472.35153	13.2
485.15182	5.6
485.36649	0.7
486.15375	0.5
503.16086	0.3
527.16034	0.9
545.17212	13.7
546.17438	0.8
557.27484	0.1
609.36572	2.4
610.36792	0.2
629.19623	0.2
633.40179	1.7
634.39880	0.2
647.20557	10.7
648.20850	0.9
648.39819	0.2
717.42865	0.4
729.42407	1.6
730.43445	0.2
741.42639	0.9
759.43512	1.0
760.43915	0.2
777.44098	0.8
913.51556	0.9
914.52606	0.2
939.50092	0.2
957.51111	15.5
958.51331	2.6
999.52502	1.3
1000.52887	0.4
1074.55762	0.4
1075.56360	1.8
1092.56555	0.2
1093.58057	1.0
1119.56274	76.1
1120.56458	17.6
1134.58484	0.3
1135.35132	0.2
1135.58716	3.0
1136.57068	0.3
1161.54736	0.2
1179.55664	1.1
1180.50378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	3.2
84.02155	0.2
85.02959	14.5
86.00090	0.4
87.00885	3.1
87.04533	0.7
89.02451	11.4
91.19172	0.2
93.03470	0.5
95.01396	3.0
97.02967	1.2
99.00884	2.0
99.04533	0.9
99.92582	0.5
101.02455	21.1
102.02777	0.3
103.04001	1.6
109.02941	0.5
111.00887	0.6
112.01662	0.8
113.02464	15.9
114.02813	0.5
115.03998	0.4
116.92874	2.1
117.01953	0.3
117.36657	0.2
117.92857	0.3
119.03514	5.2
119.04957	0.4
121.02993	0.4
123.04536	0.2
124.01755	0.3
125.02466	1.9
127.04029	1.1
129.01964	0.3
129.09233	0.2
131.03523	9.5
133.02982	0.5
134.03740	0.3
135.04520	0.5
137.02461	0.9
139.04034	0.3
143.03531	1.6
145.02988	0.4
145.05081	0.3
147.04518	0.2
149.02483	0.8
149.04530	0.4
150.03220	0.3
151.03967	0.3
155.03517	0.7
159.03018	0.5
160.01668	0.3
161.02501	1.2
161.04575	2.8
163.04030	0.3
164.04807	0.7
165.01878	0.4
165.05565	0.6
175.00363	0.7
175.04008	0.6
177.05684	0.3
179.03549	0.3
179.03934	0.3
179.05637	2.6
190.02740	1.7
191.03366	0.3
193.05179	0.3
195.06671	0.4
200.84291	0.2
203.05589	0.5
205.05081	1.7
209.11726	0.3
221.06564	1.4
221.68675	0.2
223.06097	0.8
233.06682	0.4
259.08136	0.6
263.07678	0.8
277.09320	0.3
383.29538	0.8
391.54730	0.2
395.29285	0.2
401.30527	0.4
453.33798	0.3
469.33035	1.6
471.34799	11.1
472.34927	1.3
485.32672	1.5
513.35651	0.3
525.35919	0.3
541.35004	0.3
567.37073	0.8
585.37933	0.4
589.17505	0.3
603.39001	5.9
604.39716	0.5
691.21252	0.4
749.45105	4.5
750.45728	0.8
765.44757	0.3
767.45886	0.3
831.42950	0.4
893.49335	5.2
894.50024	0.4
911.50464	5.0
912.51227	0.7
927.50226	1.3
929.51660	1.8
930.50232	0.3
945.51392	1.6
953.51569	1.7
955.49316	0.5
971.52252	0.6
987.52679	2.4
988.52283	0.4
1037.54968	0.3
1073.55737	66.0
1074.56189	11.9
1091.56824	33.7
1092.57178	6.2
1117.54480	1.2
1133.57776	100.0
1134.57886	21.1
1147.59314	1.8
1159.59631	2.2
1160.60352	0.3
1165.76892	0.3
1177.54993	3.2
1178.53918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
82.92038	0.3
83.01376	0.9
85.02962	3.6
87.00871	0.5
89.02438	1.3
91.19804	0.3
97.02950	0.4
99.00865	0.3
101.02453	4.9
103.04009	0.6
113.02475	2.8
119.03575	0.6
125.02502	0.6
127.04024	0.4
131.03517	4.5
135.78899	0.3
143.03474	0.3
145.92709	0.3
155.03496	0.4
155.50278	0.3
156.22887	0.3
161.04581	0.4
161.07054	0.3
163.06273	0.4
173.38066	0.3
179.03500	0.4
199.72725	0.3
231.08873	0.3
234.74202	0.3
259.08255	0.9
317.24908	0.4
404.62225	0.3
475.34204	0.5
487.30899	1.0
603.39478	0.8
731.44177	0.5
749.45398	1.4
818.11786	0.4
875.48492	1.1
877.49304	1.6
893.49066	1.3
895.51190	2.4
919.50824	0.9
935.50647	0.4
937.51672	3.5
938.51868	0.5
979.53027	3.7
980.53387	0.6
991.53101	0.5
1021.54205	9.4
1021.74396	0.3
1022.55414	1.5
1039.55042	16.2
1040.55249	2.8
1057.55652	2.4
1058.56287	0.6
1075.56787	0.4
1081.56226	25.6
1082.56311	5.0
1099.57410	9.0
1100.58240	2.0
1105.99292	0.3
1141.58264	9.6
1142.58643	1.9
1177.55823	100.0
1178.56226	20.7
1217.05994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
56.17989	0.3
59.01379	0.9
70.13583	1.4
71.01373	0.5
71.05042	0.7
73.02955	100.0
73.31860	0.3
74.02485	0.3
74.03294	3.1
91.66663	0.3
98.19936	0.4
98.20497	0.6
99.00250	0.5
99.00894	9.3
99.92601	2.9
100.01248	0.5
100.92644	0.5
116.92883	10.1
117.01961	18.1
117.92901	0.9
118.02299	0.9
138.59744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01427	0.3
85.02968	1.7
87.00886	0.5
89.02480	0.2
94.06651	0.2
95.01424	0.4
95.05052	0.2
99.00894	0.8
101.02486	0.4
105.05884	0.2
106.06713	0.1
107.03749	0.5
108.02254	0.1
110.02464	0.1
110.06133	0.9
111.00916	0.5
113.02456	1.5
115.00454	0.2
117.01983	0.2
120.04597	0.1
120.08210	4.0
121.02971	0.1
121.05374	0.5
122.06141	10.5
123.04539	0.2
123.06490	0.3
124.07903	0.1
125.02500	0.3
129.01991	0.2
129.09241	9.6
130.09616	0.3
131.03564	0.1
133.02982	0.3
134.03780	0.2
134.06190	0.7
135.04599	0.2
136.07719	0.4
137.02460	0.1
137.04863	0.1
139.99149	0.1
142.06631	0.1
144.04582	1.0
145.02969	0.2
145.05156	0.1
146.06172	0.2
149.02524	0.2
150.03270	0.3
151.04019	0.3
152.07262	0.2
160.01646	0.2
160.04042	0.3
160.07797	0.2
161.02499	0.4
161.04837	0.2
162.05653	0.5
163.04001	0.1
164.07172	0.5
165.05620	0.2
172.04079	0.2
172.07690	0.1
173.04857	0.2
174.05602	1.0
175.02541	0.4
175.03964	0.2
179.03564	0.1
180.04405	0.1
188.03580	0.6
188.07144	0.1
193.05046	0.2
195.06651	0.3
199.08795	0.2
200.07208	0.2
201.10487	0.1
203.05911	1.9
204.06657	0.5
209.10861	0.4
210.07742	0.2
210.11336	0.1
213.10431	0.2
215.11945	0.4
222.07959	0.1
223.08755	0.8
223.12447	0.2
225.13988	0.3
227.11880	0.2
231.05148	0.1
235.08765	0.1
235.12360	0.2
236.09554	0.9
237.10298	1.5
237.13995	0.1
238.07521	0.2
238.11098	0.4
239.08249	0.2
239.11865	0.6
241.13385	0.6
247.12560	0.1
248.09532	0.2
249.06152	1.3
249.10257	0.7
249.14034	0.4
250.07507	0.5
250.11136	0.5
251.11900	5.8
252.09196	0.1
252.09991	0.1
252.12408	0.7
253.09883	0.3
253.13379	0.2
254.10652	0.1
255.11282	0.1
261.10239	0.3
262.07495	0.4
262.11148	0.4
263.08289	1.0
263.11896	1.3
264.09079	1.1
264.12537	0.4
265.09903	0.9
265.13428	1.3
266.10532	0.5
266.13589	0.1
267.07462	0.2
267.11349	0.4
267.14633	0.1
268.08505	0.3
269.09482	0.2
269.13013	0.8
270.10153	0.2
271.10782	0.1
275.08301	0.6
275.11877	0.2
276.09036	1.5
277.09824	7.7
278.10550	2.5
279.11334	1.5
280.12036	0.3
281.06534	0.1
281.09372	0.5
281.12579	0.2
282.10141	0.5
283.10931	0.9
284.11581	0.2
285.12494	0.4
287.14209	0.5
289.10095	0.2
289.13452	0.2
290.10590	1.1
291.11395	8.0
292.12155	7.6
293.09647	0.2
293.12930	5.0
294.10120	0.4
294.13568	0.7
295.10950	0.6
295.14508	0.4
296.11600	0.5
299.10721	0.2
302.10425	0.1
306.07379	0.2
306.10361	0.2
307.11203	0.1
308.11514	0.1
309.08929	0.2
309.12537	0.4
310.09604	0.4
311.10349	0.3
311.13684	0.2
312.11224	0.2
313.11871	1.1
315.11456	0.4
316.12088	0.4
317.09317	0.2
318.10107	1.3
319.10806	1.0
322.09607	0.2
323.10367	0.3
324.11130	1.2
325.11951	1.2
325.15588	0.2
326.12653	0.3
327.13620	0.1
329.14926	0.2
331.17059	0.1
333.12350	0.2
335.10379	5.0
336.11090	4.4
337.11859	2.0
338.12589	0.3
342.12561	0.2
343.13043	0.8
343.16797	0.1
344.13940	0.5
345.14880	0.2
346.15494	0.4
346.19284	0.3
348.10910	0.1
350.12723	0.2
356.13971	0.3
357.14798	0.2
358.15616	0.7
358.19446	0.1
359.16675	0.3
360.11148	0.3
360.17130	1.0
361.15378	0.1
362.18723	0.2
369.14777	0.2
370.19324	0.5
371.12152	0.2
372.13428	0.2
372.17203	3.2
373.17960	0.9
374.18912	1.0
375.19589	0.1
377.17459	0.1
378.12213	0.5
379.16132	11.0
380.16687	0.7
384.13492	0.4
384.17776	0.2
385.18323	0.1
386.14874	0.9
387.15671	0.4
388.16434	0.2
390.18442	0.9
391.18994	0.2
392.19446	0.1
396.17422	0.1
398.15118	0.5
399.15891	0.8
400.16635	1.5
401.17126	0.3
402.18353	1.6
403.18918	0.4
404.16171	0.4
405.17075	0.4
406.17642	1.0
412.16592	0.3
413.17300	0.3
414.18246	5.4
415.19052	2.1
416.20102	0.2
417.16901	0.2
418.17722	3.0
419.18146	0.5
420.19775	0.2
428.16119	0.2
429.17218	0.2
430.17648	0.3
432.19388	3.0
433.20169	0.7
434.21301	0.2
436.18793	0.9
438.18307	0.3
440.16077	0.8
441.16931	0.7
441.22510	0.2
442.17526	0.2
444.15964	0.1
446.16650	0.3
446.21088	0.4
447.17850	0.7
448.18762	0.6
453.22903	0.2
456.19525	0.3
458.17044	3.7
459.17883	3.4
460.18652	1.5
461.19165	0.2
464.22156	0.2
465.18988	0.2
470.20947	0.5
472.18732	0.6
473.19177	0.2
476.18301	5.8
477.19012	4.4
478.19830	1.0
482.17123	0.4
483.23947	0.4
488.21973	0.1
490.19809	1.7
491.19946	0.2
492.21548	0.1
493.26343	0.1
495.24228	1.2
496.24554	0.2
500.17911	0.7
501.19388	0.1
502.20026	0.3
504.21603	0.2
508.20871	5.5
509.21198	1.0
513.24902	0.4
514.19849	0.7
518.19147	0.4
521.21979	0.2
522.22687	0.2
525.25153	0.5
527.22632	0.2
532.20972	1.1
533.21100	0.1
537.25098	1.5
538.25525	0.2
539.22980	0.2
540.23932	0.2
541.25006	0.2
550.21973	1.1
551.22723	0.3
555.26331	0.6
563.23340	0.9
564.23615	0.2
569.24402	0.4
581.24152	3.2
582.23840	0.4
583.25586	0.2
599.25146	7.9
600.25537	1.0
601.26654	0.4
613.26770	4.7
614.27167	0.8
631.27856	100.0
632.28198	15.9
643.28021	0.4
655.27954	0.9
656.28632	0.2
673.29016	23.8
674.29321	4.5
685.29810	0.2
703.30133	1.2
704.30414	0.2
715.30298	0.3
733.30896	1.2
734.31384	0.3
761.30804	0.2
763.32300	0.2
775.32458	0.2
793.33282	0.4
1113.50610	0.2
1173.44812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
59.64265	0.4
71.01378	0.7
71.41189	0.7
73.02951	100.0
74.03284	3.2
82.81403	0.3
85.08372	0.4
86.08150	0.3
91.75468	0.4
94.40150	0.4
99.00890	9.5
116.92857	0.8
117.01955	18.3
118.02264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1162.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	4.0
85.02959	16.5
86.00097	1.2
86.03255	1.3
87.00885	2.9
89.02463	5.5
90.02798	1.0
91.02859	0.6
95.01385	2.0
97.02967	2.2
98.19837	1.9
99.00890	2.2
99.04530	1.2
101.02458	20.8
102.02802	2.0
103.02888	1.1
103.04017	2.2
109.02950	0.9
113.02460	12.3
114.02805	2.7
115.02969	0.7
119.03485	2.1
119.05011	1.6
121.02967	0.7
125.02452	3.0
127.04056	1.7
131.03526	16.5
132.02023	0.7
132.03865	3.0
133.02977	0.9
133.03923	1.0
135.04556	1.1
137.02449	1.7
143.03528	1.6
145.02901	0.9
145.05159	1.0
150.03204	0.7
155.03543	2.0
159.45027	0.8
160.01694	1.3
161.02472	1.5
161.04585	1.7
163.04080	0.7
163.06110	1.2
175.03993	0.9
179.03574	1.1
179.05684	0.8
193.04962	0.7
204.06731	0.7
221.06573	0.7
222.24928	0.6
259.08258	1.4
260.08554	1.1
313.21545	0.8
317.24826	2.4
318.25336	1.8
390.27493	0.7
472.35010	1.0
495.29510	2.0
569.37421	1.0
604.40063	1.0
641.35547	0.9
749.44891	1.6
750.45276	1.3
751.45801	2.0
752.46716	1.1
765.44708	1.1
766.45160	2.4
767.47687	1.2
878.50391	2.5
879.50720	3.0
880.50757	2.7
894.49890	2.4
895.49884	5.4
896.50812	10.3
897.51453	13.7
898.52118	11.4
910.48468	0.8
917.44489	1.8
927.49347	1.7
928.50031	1.5
929.51447	1.7
935.45477	0.9
938.52759	1.6
939.52496	3.2
940.52917	3.6
1039.54773	2.1
1040.55383	13.7
1041.55688	39.1
1042.55957	100.0
1043.55554	11.2
1058.56091	5.4
1059.56470	20.5
1060.56921	43.0
1061.56335	4.9
1076.55005	1.0
1077.55249	1.3
1100.58374	1.4
1101.57788	7.0
1102.57898	27.1
1103.57556	3.7
1118.56848	1.7
1119.55884	2.0
1162.57910	8.7
1163.57617	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	1163.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03410	0.3
83.01398	4.8
85.02961	7.4
86.00054	0.5
87.00886	2.9
87.04416	0.2
88.98821	3.8
89.02455	6.5
90.02745	0.2
95.01408	2.4
97.02970	2.2
99.00893	1.8
99.04484	0.3
99.92541	0.2
101.02460	13.3
101.03076	0.5
102.02724	0.3
103.04015	0.8
109.02896	0.3
111.00858	0.3
112.01600	0.6
113.02469	10.6
114.02740	0.2
115.03973	0.3
116.92857	1.1
117.01886	0.3
117.03407	0.2
117.92826	0.4
119.03524	2.2
119.04942	0.3
121.02909	0.2
123.08086	0.2
125.02472	2.2
127.03968	0.3
129.01842	0.2
131.03523	2.1
134.03682	0.2
137.02394	0.3
139.00368	0.2
141.01826	0.2
141.03168	0.1
143.03532	4.3
145.02893	0.4
149.02357	0.2
149.04536	0.3
151.04004	0.1
159.02872	0.4
161.02441	0.2
161.04585	6.2
163.03995	0.3
163.06090	0.3
175.03957	0.2
179.05641	2.3
211.07515	0.4
221.06696	1.6
226.06409	0.8
241.08580	0.6
242.08961	0.1
263.07520	0.6
289.09253	0.3
295.86670	0.2
323.09766	0.2
327.23267	0.4
329.24866	0.2
423.32544	0.4
453.33777	0.4
477.34409	0.2
539.22595	0.2
541.35468	0.2
567.36609	0.7
619.38599	0.2
633.40222	4.3
634.40466	0.7
649.77441	0.2
653.27502	0.2
749.45142	0.4
750.45795	0.3
765.44873	0.4
766.45166	0.7
767.44745	1.0
779.46136	6.5
780.46222	1.3
795.46808	0.3
833.94257	0.2
897.49005	0.2
910.50006	0.4
911.49768	1.1
912.48523	0.2
923.50391	3.6
924.51013	0.9
928.50818	0.3
929.51086	0.8
941.51593	21.3
942.51843	4.7
957.52002	0.8
958.51477	0.2
971.51349	0.4
1042.52991	0.4
1043.54138	2.3
1044.52637	0.3
1059.56506	0.2
1060.53601	0.3
1061.54993	1.4
1073.55908	0.4
1074.56287	0.2
1075.58032	0.2
1103.56787	100.0
1104.57043	27.7
1119.57349	0.3
1163.58386	0.2
1164.54919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.6959
Annotation	Unknow
Peak:m/z	Relative Intensity
81.05314	0.0
83.01485	0.0
85.03029	0.1
87.00953	0.1
89.02470	0.2
97.03012	0.1
97.06643	0.0
98.19824	0.0
101.02454	0.2
113.02548	0.1
125.02529	0.1
143.03584	0.0
161.04657	0.0
179.05728	0.1
235.08221	0.2
235.79729	0.0
253.09250	0.0
277.21680	0.9
277.24707	0.0
278.22116	0.1
287.07971	0.1
305.08810	0.1
323.09836	0.0
384.38446	0.0
393.31970	0.1
397.13519	2.8
398.13681	0.2
407.29523	0.0
415.14526	0.8
421.31073	0.1
423.32718	14.7
424.33084	1.7
425.30609	0.1
437.30380	0.0
439.32108	0.4
441.33820	0.1
451.28568	0.0
465.30103	0.1
467.31671	0.6
469.33566	0.0
471.35254	0.1
483.31219	1.4
484.31522	1.6
485.32690	100.0
486.33035	11.7
487.34006	0.1
675.36188	0.7
676.36096	0.1
1161.72583	0.1
1162.67822	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1162.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03426	1.1
83.01384	6.5
83.05070	1.5
85.02962	18.4
86.00101	1.7
86.03300	3.3
87.00874	5.5
89.02448	8.0
93.03510	1.0
95.01408	4.6
97.02976	2.8
98.03329	1.1
98.20552	1.6
99.00885	2.3
99.04469	1.3
101.02463	25.0
102.02794	3.1
103.04008	2.5
109.02981	1.6
111.00917	2.2
112.01670	1.1
113.02470	16.3
114.02837	1.8
119.03522	3.1
119.05040	2.4
125.02473	5.6
127.04028	2.3
131.03529	19.1
132.03893	4.1
133.02977	1.2
137.02464	2.2
143.03519	3.0
145.02966	1.9
145.04922	1.1
155.03516	1.2
161.04564	2.7
163.04024	1.8
163.06148	1.4
177.01974	1.1
179.05603	1.1
204.06613	1.1
211.07693	1.4
237.59866	1.0
241.08908	1.3
260.08438	1.2
317.24796	2.7
318.25171	1.8
471.34601	1.5
490.01025	1.1
504.03214	1.0
531.29962	5.3
532.32471	2.3
532.34131	1.9
604.40149	1.2
605.40057	1.7
733.44421	1.1
749.45013	2.9
750.44202	2.0
751.45313	2.5
774.19000	1.6
795.46179	1.8
796.45935	3.6
877.49615	1.9
878.50592	1.3
879.49829	6.3
880.51172	1.9
894.49884	2.9
895.49689	9.7
896.50842	11.2
897.51434	17.1
897.68658	1.3
898.51996	12.5
913.52625	2.0
914.51355	1.6
927.52405	1.2
938.52338	1.6
939.51599	6.1
940.51935	4.9
958.51758	2.5
1039.55481	4.0
1040.55469	16.6
1041.55774	65.0
1042.55994	100.0
1043.56421	7.4
1057.56165	1.4
1058.56104	6.5
1059.56726	31.2
1060.56897	42.3
1061.56946	3.0
1100.57458	1.9
1101.57800	15.7
1102.57764	35.8
1103.56873	10.4
1119.55652	1.4
1120.56421	4.3
1162.57068	11.9
1163.55310	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	1159.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03451	0.9
82.03004	0.5
83.01405	3.4
85.02963	11.9
87.00885	2.1
89.02459	3.5
93.03466	0.6
95.01398	2.1
96.96037	1.1
97.02937	1.0
99.00900	1.8
99.04540	1.3
101.02464	15.5
103.04033	1.3
109.02964	0.7
111.00893	1.0
112.01666	0.7
113.02463	9.2
117.03475	0.5
119.03519	1.9
123.08128	0.5
125.02460	5.9
127.04028	1.1
131.03535	13.1
133.02977	1.0
134.03728	0.5
135.04501	0.7
137.02458	1.2
142.06639	0.7
143.03514	1.4
145.03085	0.7
145.05057	1.0
149.02533	0.6
150.03291	0.6
155.03465	1.1
161.02449	1.9
161.04541	1.3
163.04071	0.5
163.06128	0.8
175.04010	0.5
179.03503	0.7
181.12363	2.9
182.12669	1.5
183.12923	0.9
187.02534	3.6
204.06743	0.7
205.05243	0.6
225.11320	2.7
226.11636	1.5
227.11894	0.7
259.08127	2.9
317.24854	3.8
359.25821	0.5
371.25955	0.9
389.26993	2.0
438.21802	0.4
453.34116	0.5
471.34766	1.6
500.95807	0.5
550.16577	0.6
555.36774	0.6
603.39490	2.7
614.87054	0.5
617.41180	0.6
625.35699	0.5
709.72009	0.5
713.42773	0.6
747.43469	0.9
749.45294	2.8
875.48743	1.0
877.49579	2.3
878.50348	0.7
893.49500	6.2
894.49750	1.2
895.50903	17.5
896.51001	3.7
911.50110	1.7
912.49176	0.5
923.46649	0.8
937.52173	5.4
938.52521	1.1
1021.54395	0.5
1039.55139	100.0
1040.55518	22.9
1056.55237	0.6
1057.56165	39.9
1058.56323	8.3
1069.44202	0.5
1073.51880	0.6
1085.36108	0.5
1099.57483	21.8
1100.58374	6.8
1115.53320	2.8
1159.53101	1.7
1160.47473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03460	0.5
83.00895	0.2
83.01395	3.1
83.05042	0.2
84.02164	0.1
85.02962	12.4
86.00104	1.0
86.03289	0.1
87.00883	1.7
87.04522	0.4
89.02450	4.3
93.03468	0.3
95.01398	1.7
97.02958	1.0
98.20567	0.3
99.00890	1.6
99.04537	0.7
101.02458	15.9
102.02818	0.2
103.04037	1.4
109.02975	0.7
111.00911	0.6
112.01704	0.6
113.02468	9.0
114.02808	0.2
115.04015	0.3
119.03519	1.3
123.08162	0.8
125.02473	1.1
127.04032	1.3
129.01947	0.2
131.03525	13.9
132.03854	0.4
133.03050	0.1
134.03700	0.1
135.04555	0.1
137.02481	1.0
143.03519	1.2
145.05083	1.2
151.03990	0.2
155.03522	1.5
159.03003	0.2
161.02509	0.2
161.04602	0.8
163.06140	0.8
167.11470	0.1
168.06165	0.1
179.03523	0.4
179.05571	0.3
197.04607	0.1
231.08759	0.2
233.06647	0.3
259.08224	2.3
301.09152	0.1
313.21445	0.2
315.23160	0.2
317.24854	4.3
318.25201	0.3
321.08899	0.2
327.23334	0.2
329.24921	0.1
359.25818	0.2
371.25858	0.9
389.27045	1.5
390.27557	0.2
423.32761	0.6
425.34393	0.2
431.28091	0.1
435.32706	0.4
449.29108	0.3
453.33987	0.8
471.34842	1.8
472.34930	0.2
489.35699	0.2
515.33716	0.7
521.30389	0.1
567.37024	0.4
568.36603	0.1
585.38123	0.4
603.39020	2.7
604.39105	0.5
613.01996	0.1
617.40637	0.2
645.40790	0.2
647.37909	0.5
653.41382	0.3
659.42090	0.1
713.43317	0.7
714.44049	0.2
731.43774	0.7
732.44287	0.1
747.43457	0.7
749.45264	3.0
750.45862	0.8
793.44794	0.2
875.48303	0.9
876.48981	0.2
877.49652	3.6
878.50000	0.5
893.49335	6.1
894.49432	1.3
895.50952	16.2
896.51257	3.7
911.50403	1.4
912.50714	0.5
913.52576	0.2
914.52783	0.2
915.53467	0.3
937.51855	5.7
938.52167	1.6
953.51727	0.2
991.53741	0.2
1003.52673	0.4
1009.53845	0.4
1021.53986	0.2
1039.55066	100.0
1040.55408	29.8
1055.53870	0.2
1057.56140	40.4
1058.56409	12.2
1099.57300	23.9
1100.57727	8.0
1128.41077	0.1
1159.52649	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	1159.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03326	0.4
83.01236	3.1
83.01790	0.6
83.04909	0.3
85.02798	11.0
85.99947	0.8
86.00497	0.3
86.03175	0.2
87.00728	1.2
87.01299	0.2
87.04382	0.3
89.02288	4.3
89.02905	0.8
95.01226	1.3
97.02780	0.8
99.00708	1.3
99.04343	0.5
99.04945	0.2
101.02273	15.7
101.03363	0.6
102.02673	0.3
103.03835	1.5
109.02778	0.8
111.00755	0.3
111.01412	0.2
112.01476	0.6
113.02259	7.9
113.03129	1.1
115.03912	0.2
119.03307	1.9
119.17500	0.2
123.07993	0.4
125.02242	1.3
127.03820	0.9
129.01768	0.2
131.03296	15.6
131.04901	0.5
132.03697	0.3
133.02779	0.2
137.02206	0.6
143.03271	1.1
145.04832	0.9
155.03256	0.7
159.02896	0.3
160.03909	0.2
161.02271	0.2
161.04314	1.0
163.05881	0.9
179.03268	0.3
179.05341	0.4
187.02380	0.3
231.08475	0.3
245.61708	0.1
247.13068	0.2
251.07973	0.2
253.09387	0.2
257.12711	0.4
259.08215	1.9
265.09512	0.3
277.09436	0.3
278.06662	0.3
279.07739	0.7
293.08957	0.5
317.24884	2.8
318.25006	0.2
321.08829	1.5
322.09024	0.2
343.10095	0.3
371.25259	0.4
389.27060	1.2
415.87491	0.2
423.32431	0.4
435.32230	0.3
449.28821	0.2
453.33624	0.8
471.35022	1.7
472.35101	0.3
503.29364	0.2
515.33350	0.5
541.35242	0.2
555.36914	0.2
567.36505	0.5
585.37720	0.2
603.39117	2.4
604.38837	0.5
605.20233	0.3
617.40692	0.3
645.39459	0.2
647.37280	0.4
713.43109	0.6
731.43921	0.7
747.42926	0.5
749.45251	2.3
750.44769	0.5
827.23267	0.2
875.47675	0.8
877.32501	0.4
877.49866	8.0
878.50244	1.5
893.49292	5.5
894.49683	1.0
895.50916	15.4
896.51324	2.9
911.50281	1.9
918.11908	0.2
923.14557	0.2
937.51910	12.4
938.51959	2.4
953.50244	0.5
991.52893	0.2
1000.50317	0.2
1003.53619	0.3
1009.53650	0.3
1021.53778	0.3
1039.55090	100.0
1040.55408	26.7
1057.56201	38.7
1058.56421	10.7
1099.57324	47.5
1100.57642	14.8
1115.55127	0.3
1127.41931	1.3
1128.41821	0.6
1159.42078	1.5
1160.45020	0.7
1193.97473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03441	2.3
83.01396	20.0
84.02171	0.9
85.02959	30.7
86.00085	2.1
87.00379	0.8
87.00880	9.4
87.04497	0.6
89.02458	13.8
93.03474	0.6
95.01390	8.0
97.02959	12.7
99.00904	6.5
99.04501	0.8
101.02455	37.3
102.02744	0.7
103.04015	4.4
107.40228	0.6
109.02954	3.0
111.00850	1.7
112.01674	3.0
113.02464	38.2
114.02817	0.5
115.03993	1.3
117.03420	0.6
119.03514	3.2
121.02945	1.0
123.04530	0.8
123.08171	0.9
124.01652	0.9
125.01636	1.0
125.02464	13.2
127.03999	2.4
131.02672	0.6
131.03526	7.8
137.02480	3.0
139.03986	0.8
143.03520	19.1
145.05057	0.9
149.02396	1.6
149.04565	1.5
151.04048	1.3
155.03471	1.3
159.02997	0.6
161.02470	1.0
161.04576	20.5
163.06105	1.9
167.03432	2.5
179.03496	1.4
179.05516	1.5
185.04514	2.4
191.05574	2.1
233.06549	1.7
275.07425	0.9
289.09308	10.1
329.24823	0.8
373.11444	0.6
419.67847	0.6
423.32846	1.2
446.13843	0.7
451.31992	2.3
453.33844	1.7
469.33148	1.3
541.35394	0.9
545.17059	2.5
567.36945	3.8
597.38507	0.7
633.40234	23.8
634.40802	2.9
647.20618	1.0
749.45209	4.0
750.45380	1.1
777.43591	0.9
779.46130	100.0
780.46436	17.6
795.45416	1.3
821.47021	1.3
875.48163	1.7
887.47955	1.9
893.48572	2.6
894.49072	0.7
895.51184	1.0
905.49481	1.8
909.48065	0.8
911.50354	3.2
923.50305	80.7
924.50702	14.0
935.49994	0.6
941.51508	42.1
942.52069	7.4
953.51587	1.9
965.52069	4.2
966.54047	0.8
983.52582	54.0
984.52875	11.4
1037.53015	0.9
1039.54224	3.0
1055.54590	56.2
1056.54700	13.5
1057.55408	1.7
1073.55750	65.8
1074.56189	14.7
1099.53589	3.2
1115.56689	69.6
1116.57068	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	1159.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	0.6
83.01395	3.3
83.05036	0.2
84.02162	0.1
85.02962	13.1
86.00113	0.7
86.03296	0.2
87.00879	1.6
87.04527	0.4
87.91745	0.1
89.02454	3.7
93.03484	0.2
95.01396	1.4
96.96025	0.3
97.02956	1.2
99.00892	1.6
99.04519	0.8
101.02460	15.4
102.02789	0.2
103.04025	1.7
109.02967	0.7
111.00871	0.7
112.01700	0.6
113.02469	9.5
114.02765	0.1
115.04042	0.2
119.03518	1.6
123.08171	0.6
125.02462	1.0
127.04041	1.1
129.01993	0.1
131.03525	13.4
132.03845	0.2
133.02991	0.1
135.04453	0.1
137.02475	1.3
139.00372	0.1
139.03943	0.1
143.03514	1.2
145.05080	1.1
149.04535	0.1
151.04057	0.2
155.03535	1.2
159.03024	0.2
161.02475	0.1
161.04585	0.6
163.06192	0.7
167.03502	0.1
179.03519	0.3
179.05666	0.3
230.58777	0.2
230.60832	0.1
231.08733	0.2
233.06728	0.2
257.06726	0.2
259.08221	2.7
287.05795	0.1
315.23618	0.2
317.24875	4.3
318.25229	0.4
327.23242	0.1
329.24832	0.2
341.24847	0.1
359.26001	0.4
371.26059	1.0
389.26950	1.6
390.27496	0.1
423.32556	0.5
433.30862	0.1
435.32730	0.3
449.28995	0.3
453.33707	1.0
469.33282	0.2
471.34848	2.0
472.35068	0.2
503.30313	0.1
515.33875	0.5
521.31122	0.3
541.35474	0.2
555.37164	0.1
567.36841	0.4
585.38068	0.3
603.39063	2.9
604.39746	0.6
615.38715	0.2
617.40576	0.5
645.40436	0.1
647.37933	0.4
713.42987	0.7
714.42926	0.1
731.43469	0.6
732.44202	0.2
747.43555	0.7
749.45117	3.0
750.45605	0.6
845.47339	0.2
859.49426	0.2
875.48816	0.8
876.49396	0.2
877.49811	3.4
878.50366	0.5
893.49298	7.0
894.49750	1.1
895.50916	17.5
896.51221	3.3
911.50385	1.5
912.51740	0.3
937.51874	6.4
938.52148	1.2
946.92267	0.1
953.50824	0.2
961.52338	0.2
965.52490	0.3
991.52838	0.2
1009.54523	0.4
1021.53912	0.3
1039.55078	100.0
1040.55371	21.6
1057.56165	40.2
1058.56445	8.4
1099.57336	22.2
1100.57678	5.0
1107.96594	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	1154.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01222	0.4
83.01637	0.3
85.02722	1.1
85.03294	0.7
87.00669	0.5
87.01214	0.5
89.02198	1.6
89.02820	0.9
95.01194	0.5
96.95844	0.4
96.96325	0.2
99.00699	0.5
99.01241	0.3
101.02183	2.9
101.02929	1.2
111.00706	0.3
113.02164	1.7
113.03024	0.7
114.30350	0.2
119.03249	0.7
119.04805	0.6
121.02755	0.2
121.88632	0.3
125.02189	0.6
125.02964	0.3
130.62048	0.2
131.03180	1.3
131.04289	0.4
133.02626	0.7
133.03542	0.4
135.04282	0.6
135.05261	0.3
137.02155	0.3
143.03296	0.4
145.02660	0.7
150.02921	0.4
150.04033	0.3
159.02794	0.3
160.01419	0.3
161.02049	1.4
161.04199	1.9
161.05658	0.6
163.03728	0.5
164.04359	0.3
165.05217	0.3
175.02083	0.2
179.05214	1.7
190.02357	0.5
205.04712	0.4
221.06192	2.8
229.71106	0.4
263.07211	1.6
275.54831	0.3
323.09354	0.4
452.54462	0.3
471.34979	1.9
613.41583	0.3
749.44763	0.4
829.42456	0.6
929.51196	0.4
931.48865	0.5
949.48053	0.4
978.41486	0.3
1091.56848	41.9
1092.57263	13.7
1093.57739	2.0
1094.57825	8.0
1095.57202	1.2
1119.56226	1.1
1154.56335	100.0
1155.56567	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	1154.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01290	0.5
85.02868	1.5
87.00795	0.9
87.32700	0.2
89.02354	2.7
90.02683	0.2
95.01329	0.4
99.00798	0.3
101.02460	3.7
113.02467	2.5
114.02677	0.3
119.03516	1.2
131.03517	1.6
133.02850	0.2
135.04433	0.2
139.45062	0.2
143.03340	0.6
154.61423	0.2
159.02905	0.3
161.02353	0.3
161.04596	2.4
162.04753	0.2
165.05441	0.2
179.05637	3.0
221.06693	3.7
222.06955	0.3
263.05276	0.2
263.07687	2.5
323.09698	0.4
341.10303	0.3
471.34332	0.2
533.74481	0.2
749.45264	0.5
880.47748	0.2
929.51587	1.4
930.50690	0.2
966.76324	0.2
1091.56860	56.8
1092.57214	15.2
1093.57751	1.9
1094.57922	5.5
1095.57520	0.6
1105.02319	0.2
1154.56287	100.0
1155.56616	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03534	0.3
83.01448	0.7
83.62672	0.2
85.02955	2.8
87.00891	1.5
88.98863	0.4
89.02455	5.6
95.01443	0.5
98.19740	0.5
99.00948	0.5
101.02461	6.4
113.02470	4.4
119.03522	2.1
119.05082	0.3
125.02562	0.5
129.02037	0.4
131.03528	3.0
133.03024	0.4
135.04633	0.3
143.03552	1.4
145.03008	0.4
149.04652	0.4
152.74959	0.2
154.99890	0.3
161.02545	0.7
161.04578	3.9
162.05031	0.3
163.04138	0.5
175.04092	0.3
179.05623	9.0
181.12483	1.2
183.13959	0.6
199.46233	0.3
221.06670	7.6
222.07156	0.3
225.11464	1.0
226.11638	0.4
227.12971	0.8
263.07690	7.9
263.10229	0.5
264.08270	0.5
269.60294	0.4
323.10004	0.7
341.11078	0.7
344.72073	0.3
547.66681	0.3
603.39838	0.4
749.45203	4.8
750.45288	0.9
929.34113	0.4
929.50775	1.3
945.51215	0.3
957.50513	0.4
965.46698	1.4
1028.46191	0.4
1073.56360	1.6
1091.56799	100.0
1092.57080	32.7
1093.57471	0.5
1094.57629	2.4
1095.58130	0.5
1145.38538	0.3
1154.56238	94.7
1155.56470	33.7
1183.51245	0.3
1192.62830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.004
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
50.72896	2.8
55.03969	3.1
57.95008	3.4
58.00594	3.2
59.01381	60.8
70.46519	6.0
70.46893	5.4
71.01389	79.5
71.05023	9.6
72.99292	3.7
74.02463	5.8
85.42088	3.3
87.00892	34.2
114.93417	14.6
115.00385	48.0
115.04029	8.9
115.05970	18.5
116.07194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0767
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
55.57591	0.7
59.01385	0.9
60.75772	0.8
69.69553	3.5
69.69974	1.8
71.01379	1.2
71.05015	0.9
71.63145	0.8
71.64223	0.8
85.48766	0.7
97.14481	0.7
98.05453	0.7
114.93428	3.0
115.07664	100.0
115.29512	0.7
116.07228	1.5
116.08005	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	1149.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03384	0.3
83.01295	6.8
83.01849	0.6
85.02857	9.3
85.03428	0.7
86.00024	0.3
86.03223	0.2
87.00783	2.5
87.01362	0.4
89.02351	6.7
89.02963	0.5
93.03337	0.2
95.01286	3.2
97.02848	2.8
99.00777	2.3
99.04446	0.3
101.02340	15.0
103.03900	1.1
109.02878	0.3
111.00816	0.4
112.01577	0.3
113.02470	14.1
113.03200	0.7
113.03568	0.6
115.03981	0.3
118.23966	0.2
119.03526	2.2
121.02864	0.6
124.01568	0.2
125.02472	3.3
127.03887	0.4
129.01901	0.4
131.03525	2.9
134.03674	0.3
143.03528	6.8
145.02901	0.2
149.04558	1.3
161.02327	0.4
161.04578	5.8
163.05975	0.4
167.03357	0.3
175.03934	0.4
179.05460	0.6
190.02702	0.2
190.87885	0.2
191.05603	1.8
205.06996	0.3
209.04436	0.2
221.08102	0.3
233.06668	1.9
289.09286	0.5
421.30872	0.5
439.31866	0.3
453.30017	0.6
455.25623	0.2
455.31668	4.0
456.31818	0.6
467.31726	1.7
485.32379	0.8
486.32510	0.2
487.29846	0.8
487.34073	1.8
499.30121	0.2
531.33478	1.9
532.33618	0.3
557.34924	0.4
583.36420	1.7
584.36401	0.3
649.39691	8.8
650.40253	1.3
656.64667	0.2
793.44342	0.2
795.45703	8.2
796.46222	1.2
811.45154	3.1
812.44824	0.4
927.51099	0.3
939.49768	6.0
940.50446	0.9
943.49469	2.8
944.49780	0.6
957.51044	60.3
958.51245	11.8
1068.83838	0.2
1089.55273	100.0
1090.55566	24.2
1149.56543	1.3
1150.56335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	0.8
83.01392	3.0
83.05013	0.3
85.02965	24.8
86.00105	0.9
86.03260	0.4
87.00890	5.2
87.04519	0.9
89.02466	6.5
95.01416	1.8
97.02982	1.5
98.07863	0.3
99.00900	1.8
99.04523	2.1
101.02462	17.3
103.04016	1.5
109.02950	1.2
111.00890	0.9
112.01637	0.8
113.02471	6.9
115.04025	0.9
119.03528	2.9
119.04967	0.4
124.01653	0.4
125.01756	0.3
125.02480	2.9
127.04047	3.4
129.01979	0.4
131.03528	6.2
133.03000	0.3
134.03741	0.5
135.04523	0.5
137.02438	0.5
142.06630	0.3
143.03525	3.1
145.02962	0.5
145.05054	1.2
159.03009	0.4
160.01642	0.4
161.02451	0.7
161.04564	1.2
163.06134	0.6
165.05580	0.3
175.03996	0.5
179.05661	0.5
187.02502	0.8
190.02588	0.3
193.05153	0.3
205.07098	1.3
231.08755	0.5
247.08197	1.1
291.10898	0.5
311.08731	0.3
339.07925	0.3
341.41910	0.3
455.35208	1.1
473.36429	5.8
474.36633	0.9
517.35394	0.5
587.39526	0.7
605.40546	4.3
606.41205	0.7
733.45953	0.3
749.44885	0.8
751.46844	1.7
755.42334	0.4
765.44208	1.9
766.44672	0.4
767.46313	2.4
768.46631	0.6
879.51196	0.6
895.50470	1.2
897.52612	0.9
909.48901	2.9
910.49634	0.5
913.51959	3.2
914.52338	0.7
927.50092	1.7
955.52509	0.6
969.51721	0.6
1041.56628	47.0
1042.56860	9.1
1059.57605	41.2
1060.57910	9.1
1101.58887	100.0
1102.59155	25.1
1109.57214	1.3
1112.23083	0.3
1145.54932	0.6
1146.49731	0.3
1179.73914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5812
Annotation	Unknow
Peak:m/z	Relative Intensity
79.32790	0.2
81.03478	1.6
82.15274	0.2
83.01394	11.7
83.05054	0.4
84.02179	0.6
85.02960	35.1
86.00108	2.3
86.03289	0.4
87.00883	6.1
87.04541	0.7
89.02454	11.5
93.03497	0.6
95.01402	4.0
97.02962	3.4
98.19883	0.9
99.00900	4.2
99.04520	1.4
101.02457	41.1
102.02758	0.4
103.04016	3.5
108.02155	0.2
109.02982	2.2
109.96248	0.2
111.00908	2.0
111.04536	0.5
112.01687	1.5
112.02988	0.2
113.02467	29.1
114.02757	0.4
115.04055	0.7
119.03527	2.7
119.05012	0.3
121.02943	0.4
123.04552	0.5
123.08176	0.5
124.01723	0.5
125.02467	6.9
127.04023	2.1
129.01956	0.6
131.03525	43.1
132.03844	0.8
135.04559	0.3
137.02467	1.6
139.03973	0.5
141.02025	0.3
143.03520	4.6
145.05092	1.0
147.04512	0.3
149.04570	1.1
151.04001	0.5
155.03506	0.9
161.02481	0.3
161.04567	2.1
163.06172	1.6
167.03539	0.5
175.04068	0.7
179.05667	0.6
187.02505	1.2
187.03920	0.3
191.05653	1.7
205.17632	0.2
215.05566	1.0
230.13800	0.3
233.06633	1.1
245.06586	0.4
259.08224	1.8
275.07715	1.5
293.08505	0.3
301.64883	0.3
313.21576	0.3
317.24893	3.2
318.25125	0.3
327.23230	0.3
348.51431	0.2
371.25882	1.2
379.78625	0.3
389.26926	1.0
423.32660	0.4
455.31607	0.5
469.33203	0.9
471.34943	1.2
497.76193	0.3
515.33447	0.3
521.31049	0.4
541.34717	0.5
567.36804	1.9
603.39087	7.6
604.39130	1.2
619.38794	1.5
620.38507	0.3
635.39587	0.3
647.38574	1.6
693.40509	0.3
747.43048	0.9
749.45148	85.7
750.45453	12.8
763.43073	0.5
765.44586	5.4
766.45013	1.1
779.46082	0.9
781.44287	0.3
845.47418	5.3
846.47986	0.9
857.46545	2.0
858.48462	0.4
863.47998	0.5
875.48126	0.5
879.47711	0.5
891.46094	0.4
893.49359	50.8
894.49597	8.9
895.46680	0.3
897.48694	0.7
909.31573	0.5
909.48840	7.2
910.48846	1.4
911.50403	40.5
912.50568	6.2
923.50134	0.9
927.49908	3.8
928.50360	0.9
935.50201	2.0
941.53253	0.3
953.51599	11.3
954.51886	2.4
969.51001	5.2
970.50665	1.4
977.51825	0.7
1007.52789	1.5
1008.53284	0.4
1025.53564	100.0
1026.53748	19.4
1041.53027	4.8
1042.54285	1.3
1043.54602	84.8
1044.54846	16.3
1059.54236	4.3
1060.54565	1.0
1069.52258	0.7
1085.55713	25.0
1086.56360	5.9
1101.55225	6.5
1102.56201	1.8
1103.56946	1.1
1145.55432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03457	1.8
83.01398	14.0
83.05021	0.5
85.02962	36.3
86.00117	0.9
86.03312	0.4
87.00890	8.9
87.04509	1.1
89.02460	28.7
93.03451	1.2
95.01394	6.0
97.02962	4.0
98.20734	0.7
99.00904	4.2
99.04519	1.3
101.02460	34.2
102.02780	0.8
103.94501	0.4
107.05058	0.5
109.02937	1.5
111.00904	1.6
111.04542	0.7
112.01722	1.0
113.02470	38.8
114.02777	0.5
114.05189	0.5
115.04021	1.7
119.03532	4.2
119.05085	0.4
121.02959	0.8
123.08147	1.0
125.02477	6.5
127.04076	2.1
129.01981	0.7
131.03529	31.7
132.03850	0.6
133.02939	0.5
135.04576	0.9
137.02454	1.4
139.04027	0.9
143.03534	6.6
145.02914	0.5
145.05043	1.2
147.04469	0.4
149.02530	0.6
149.04587	5.0
151.04063	0.5
155.03522	1.7
161.02405	0.4
161.04570	2.7
163.04036	0.6
163.06140	2.7
167.03493	0.6
177.05554	0.6
179.03523	0.6
179.05620	0.7
187.02521	1.3
191.05656	2.3
205.07178	2.3
215.05592	0.8
221.04596	0.5
231.08539	0.4
233.06679	2.2
257.06671	0.6
259.08191	3.0
275.07648	1.5
283.16949	0.8
283.20419	0.4
293.08795	0.5
297.18646	0.6
297.22336	0.6
302.93600	0.4
311.20361	0.6
313.21896	0.5
345.24442	0.6
391.29971	0.6
421.31027	1.1
439.32251	1.2
453.30090	1.7
455.31699	11.1
456.32037	1.6
467.31744	4.5
468.31900	0.6
469.33481	0.9
485.32800	1.6
487.30084	2.0
487.34348	4.2
488.35071	0.5
489.32770	0.7
490.32492	0.5
503.30405	0.5
504.30423	0.5
531.33392	3.1
532.33655	0.5
583.36365	6.6
584.36963	0.8
619.38684	24.7
620.38983	3.5
663.37616	0.6
747.43976	0.5
749.45288	1.9
763.43042	5.6
764.44043	0.7
765.44653	100.0
766.44977	14.8
781.44287	5.5
823.44751	0.4
861.47308	3.5
862.47101	0.6
873.46313	2.3
874.47968	0.7
879.47662	0.6
891.47522	0.8
893.49359	1.4
895.47412	7.2
896.47687	1.6
909.48822	69.8
910.49213	12.4
911.50507	1.2
913.48010	3.0
914.50092	0.5
921.48199	2.0
927.49896	60.5
928.50293	10.2
939.50903	0.5
951.50085	2.0
953.49976	0.6
969.51013	17.8
970.51227	3.7
993.51495	0.9
1023.51648	1.1
1024.53870	0.4
1025.53625	2.4
1041.53027	96.6
1042.53381	22.5
1043.54175	3.0
1044.54639	0.5
1059.54041	75.9
1060.54541	15.2
1085.54358	1.1
1101.55249	23.2
1102.55249	5.4
1145.50476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03362	2.5
83.01302	13.3
83.04935	0.7
85.02867	41.1
86.00026	1.7
87.00887	9.1
87.04475	0.9
89.02453	30.6
89.02966	2.0
90.02713	0.7
95.01295	6.7
97.02953	4.0
98.19839	1.4
99.00890	4.0
99.04417	2.4
101.02455	40.7
101.03069	2.5
108.02094	0.9
109.02827	1.7
111.00790	1.5
111.04459	0.7
112.01688	1.0
113.02464	41.5
114.02744	0.7
115.03963	1.4
119.03526	4.2
121.02894	0.6
123.04414	0.7
124.01558	0.6
125.02447	9.7
127.04034	3.8
129.01840	1.0
131.03522	35.2
131.04436	1.5
132.03787	0.6
133.02855	0.6
135.04434	0.8
137.02296	2.4
139.03856	0.9
143.03522	6.5
145.04962	0.7
147.04427	0.7
149.04576	4.9
155.03502	2.6
161.04430	2.4
163.05963	1.6
167.03287	0.6
167.31580	0.6
175.03986	0.5
177.05458	0.7
179.03412	1.0
187.02545	2.8
191.05595	2.8
205.05063	0.5
205.07008	2.4
209.04089	0.5
209.11537	0.6
215.05447	0.8
230.58562	0.6
233.06647	2.5
259.08224	4.6
275.07611	1.2
297.22122	1.1
313.21677	0.9
317.24850	1.3
321.98993	0.5
377.06458	0.6
389.27097	0.6
439.32074	1.0
453.29880	1.6
455.25510	1.0
455.31638	12.5
456.31992	1.9
467.31729	4.2
467.37668	0.6
468.32370	0.6
469.33160	1.3
485.32550	1.4
487.29657	1.9
487.34100	4.2
531.33368	3.9
583.36212	3.9
603.38818	1.8
619.38647	19.1
620.38507	1.8
663.37952	0.7
747.44061	0.8
749.45117	24.3
750.45868	3.4
763.43170	5.7
764.42255	1.0
765.44598	67.2
766.44971	8.7
781.43573	4.8
782.44220	1.0
807.45435	1.3
823.44891	2.5
845.46741	1.9
861.46387	2.4
873.46722	1.6
891.47375	1.5
893.49200	14.4
894.49786	1.9
895.48346	2.8
909.48804	100.0
910.49188	15.9
911.50464	10.9
912.50720	1.5
913.48450	1.5
921.47400	0.8
927.49890	59.8
928.50165	8.4
951.50018	4.4
953.51666	2.9
955.49506	2.3
969.51031	79.0
970.51276	14.2
1025.31616	1.1
1025.53625	28.3
1026.53662	3.9
1041.52979	62.8
1042.53552	11.8
1043.54419	25.8
1044.55176	3.1
1059.53979	52.5
1060.54175	8.9
1085.55518	7.0
1086.55603	1.2
1101.55237	75.4
1102.55566	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	1137.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	1.4
83.01395	3.1
84.02161	0.3
85.02962	10.8
86.00089	0.4
87.00890	1.9
89.01933	0.4
89.02460	7.0
95.01401	1.5
97.02973	1.1
99.00894	1.3
99.04540	2.9
101.02460	15.8
103.04030	1.0
111.00829	0.3
112.01660	0.4
113.01722	0.4
113.02470	8.8
119.03529	2.0
119.04990	0.4
121.02902	0.3
123.04574	0.2
125.02470	1.0
127.03978	0.3
131.03526	14.9
131.78583	0.2
132.02217	0.2
132.03867	0.4
133.02937	0.8
134.03751	0.4
135.04495	0.5
137.02420	0.5
141.09193	0.4
142.06606	0.5
143.03476	0.9
145.05109	0.2
149.02443	0.5
149.04488	0.6
150.03192	0.8
151.00320	0.4
151.04033	0.2
159.03032	0.3
160.01674	0.5
161.02467	1.8
161.04555	2.0
161.05939	0.3
163.06125	0.4
165.01898	0.2
165.05521	0.9
166.02701	0.2
167.03476	0.4
175.02473	0.4
175.03955	0.5
176.35431	0.2
179.03403	0.4
179.05606	2.4
190.02742	0.3
191.03482	0.2
191.05551	0.8
195.06573	0.6
204.06618	0.3
205.05029	0.4
221.06630	1.0
233.06595	0.5
259.08328	0.3
263.07684	0.3
311.19928	0.3
326.96747	0.3
327.23218	0.8
329.24823	1.2
339.08725	0.3
347.25977	0.6
367.26639	0.3
369.27963	0.4
373.23737	0.4
385.27628	0.3
387.29092	1.6
388.29303	0.2
391.15936	0.7
411.28732	0.3
429.30182	0.7
479.30145	0.4
505.35107	0.3
519.33246	0.8
523.29584	0.2
549.23572	0.3
601.37665	0.4
637.39734	1.7
641.03369	0.2
681.38513	0.3
783.45593	6.9
784.45618	1.1
795.45709	0.7
799.46088	0.4
817.42529	0.3
919.46478	0.3
927.49677	3.5
928.50726	0.6
945.51068	42.7
946.51312	8.9
959.50317	0.3
975.38574	0.3
1077.55273	100.0
1078.55627	26.4
1137.58215	5.3
1138.56641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	2.7
85.02967	8.5
86.00135	0.4
87.00885	2.2
88.00440	0.3
88.98823	50.6
89.02461	7.3
89.99155	0.4
95.01423	1.4
97.02984	0.8
99.00895	1.3
99.04528	0.3
99.76117	0.2
99.85307	0.2
101.02465	14.6
102.02779	0.2
103.04013	0.9
111.00922	0.4
112.01684	0.3
113.02480	8.1
115.04006	0.4
117.03413	0.2
119.03522	2.5
119.05023	0.2
123.08176	0.3
125.02483	0.6
127.04134	0.2
131.03534	9.6
132.03850	0.3
135.70158	0.2
139.00410	0.3
143.03537	1.2
159.03003	0.2
161.02457	0.2
161.04588	2.5
163.06110	0.2
179.05676	1.6
181.63391	0.2
205.08733	0.2
207.06660	0.3
221.06741	1.4
263.07690	0.3
317.24884	1.0
323.09781	0.2
371.26331	0.4
469.33420	0.2
503.30045	0.8
504.30359	0.2
567.37158	0.5
603.39032	1.5
604.39270	0.3
647.37787	0.2
749.45148	4.8
750.46008	0.9
893.49255	1.9
894.50732	0.4
911.50458	21.8
912.50812	4.5
927.49841	0.6
928.50952	0.3
941.52698	0.2
1043.54626	2.7
1044.54700	1.5
1045.55603	0.8
1073.55859	100.0
1074.56201	25.5
1133.55347	0.7
1134.06970	0.2
1134.52869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.5707
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	0.4
83.01399	2.8
85.02960	10.0
87.00874	1.8
87.04520	2.3
89.02455	6.5
90.46941	0.3
93.03477	0.4
94.02904	0.3
95.01405	1.3
95.05041	0.4
97.02962	1.1
98.20644	1.3
99.00887	1.5
99.04549	0.7
101.02457	11.2
101.06073	0.5
102.02749	0.3
103.04017	0.8
109.02973	0.5
111.00900	0.4
111.04565	0.4
112.01636	0.6
113.02463	7.8
113.06121	1.5
117.03495	0.6
119.03531	1.9
119.05032	0.5
121.03004	0.8
121.47854	0.3
123.04518	0.5
123.08209	0.4
125.02459	1.4
127.04031	0.3
129.05562	0.6
131.03525	9.8
131.20964	0.3
133.02975	0.9
134.03700	0.3
135.04552	0.7
137.02452	0.5
143.03535	0.8
145.03033	0.5
147.04532	0.7
149.02481	0.7
149.04514	0.4
150.03253	0.5
151.04030	0.6
153.16069	0.3
157.25839	0.4
160.01625	0.5
161.02490	2.6
161.04573	1.5
163.03931	0.6
163.06155	0.5
164.04854	0.4
165.05577	1.3
167.03552	0.4
175.00317	0.4
175.02554	0.5
175.04077	0.5
177.02003	0.3
179.03458	0.5
179.05679	1.2
180.04225	0.4
181.38362	0.3
185.37331	0.3
190.02733	0.6
191.05641	0.8
193.05058	0.9
195.06593	0.4
205.05089	0.6
223.06158	0.5
259.08322	0.3
311.99869	0.3
319.16785	0.4
321.15781	0.4
343.26517	1.0
355.26505	1.0
356.27002	0.4
369.27936	0.4
373.27393	0.6
379.26709	0.3
381.28070	1.4
399.29077	1.8
400.29391	0.4
429.29846	0.4
451.32303	0.5
485.32755	0.6
486.32977	0.5
487.34848	1.5
501.32388	0.6
505.35919	1.4
513.31238	0.3
531.33301	1.1
549.34229	0.5
583.36047	0.4
595.57037	0.3
601.37372	0.9
619.38501	1.5
621.37396	0.5
637.39459	1.9
677.39026	0.8
695.39899	0.4
755.42273	1.6
765.44312	1.9
783.45679	2.3
784.45593	0.7
863.36115	0.4
927.50067	5.0
928.50342	1.4
945.50995	23.6
946.51349	6.2
1059.52771	1.6
1077.55298	100.0
1078.55627	31.7
1091.56458	1.2
1092.57971	0.5
1137.58508	3.1
1138.58411	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	1133.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.8
83.01397	1.1
85.02962	3.9
87.00886	1.9
89.02454	5.7
90.02760	0.1
92.83102	0.1
93.03481	0.2
95.01397	1.2
97.02968	1.5
99.00883	1.2
99.04517	0.1
101.02457	6.1
109.02995	0.4
111.00903	0.6
111.04523	0.1
112.01707	0.2
113.02464	8.0
114.02794	0.2
115.04001	0.2
119.03523	2.1
121.02940	0.1
123.04520	0.2
124.01702	0.1
125.02475	3.3
126.12727	0.1
126.74737	0.1
127.04007	0.1
129.01944	0.1
131.02637	0.1
131.03523	1.3
135.04529	0.2
137.02481	0.3
139.04033	0.4
139.99472	0.1
141.01859	0.1
143.03525	2.5
145.02948	0.1
149.02498	0.1
149.04581	0.2
151.03993	0.1
155.03519	0.8
159.02983	0.5
161.02507	0.2
161.04573	4.5
162.04959	0.1
163.04056	0.1
167.03484	0.4
173.04556	0.2
174.89001	0.2
175.06181	0.1
179.03493	0.2
179.05632	1.6
185.04611	0.4
185.05994	0.1
203.03568	0.1
203.05519	0.2
213.05609	0.1
221.04457	0.2
221.06657	3.1
245.06468	0.1
257.06705	1.0
263.07602	0.1
269.06625	0.4
275.07730	0.4
287.07745	0.1
287.90750	0.1
305.08633	0.3
305.55066	0.1
309.73239	0.1
323.09854	2.0
383.11960	2.3
384.12622	0.1
404.25470	0.1
416.29144	0.1
423.32730	7.5
424.33078	1.0
437.34293	0.2
439.32098	0.4
467.31897	0.5
481.33203	0.3
485.32706	94.1
486.33060	12.3
499.34308	0.9
500.35025	0.1
507.34348	0.1
527.33777	2.9
528.34198	0.4
545.17145	0.4
557.35400	0.1
587.35956	0.1
629.36603	0.5
647.20715	2.4
647.38062	0.2
648.21411	0.2
649.39771	0.1
826.45361	0.1
929.51093	0.2
953.47614	0.1
971.48877	0.6
1073.56592	0.2
1115.50293	0.2
1133.54114	100.0
1134.54321	26.2
1146.15686	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	1133.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
79.10011	0.2
81.03447	0.4
82.31680	0.2
83.01398	8.9
84.02158	0.3
84.90989	0.2
85.02962	12.6
86.00115	1.0
87.00893	2.7
87.04515	0.3
88.98829	0.9
89.02458	10.0
95.01411	3.0
97.02971	3.7
98.19835	0.4
99.00902	2.6
99.04523	0.3
101.02461	19.3
102.02816	0.3
103.04012	1.8
105.18076	0.2
109.02921	0.4
111.00900	0.4
112.01689	0.9
113.02469	15.4
114.02749	0.4
114.84576	0.2
115.03983	0.6
119.03533	1.7
122.03728	0.2
123.08168	0.2
125.01655	0.3
125.02466	3.9
127.03967	0.4
129.01964	0.3
131.03535	2.7
134.03711	0.4
137.02419	0.4
142.02679	0.2
143.02432	0.4
143.03529	7.5
145.04984	0.2
147.04514	0.2
149.04483	0.8
150.21800	0.2
157.62579	0.2
159.02936	0.4
159.29845	0.2
160.01700	0.4
161.02467	0.4
161.04579	9.1
162.04869	0.3
163.06087	0.4
167.03444	0.3
175.03957	0.3
179.05531	0.4
185.04309	0.2
191.05634	1.4
193.05048	0.3
233.06686	0.9
238.54166	0.2
289.09360	1.0
327.23102	0.4
329.24741	0.4
423.32617	0.6
453.33566	0.7
469.33203	0.4
513.35437	0.3
541.35107	0.3
567.37103	1.0
568.37396	0.3
633.40222	8.6
634.40680	1.2
769.83765	0.2
779.46185	13.2
780.46503	2.1
795.45367	0.8
824.86237	0.2
909.49243	0.2
911.49243	0.3
923.50366	7.1
924.50684	1.6
927.50629	0.7
928.50726	0.3
941.51611	62.4
942.51849	15.4
1073.55811	100.0
1074.56152	31.5
1133.56018	1.0
1134.56055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0611
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01883	7.2
57.03180	2.3
57.03450	35.0
66.03490	1.8
67.01875	1.6
68.99575	24.7
69.03458	6.4
71.01388	6.4
71.71644	1.4
71.85658	1.4
72.99307	2.7
83.01398	6.1
84.02177	13.7
85.02962	100.0
86.02461	1.7
86.03297	3.9
89.63351	1.5
92.58737	1.4
93.42948	1.3
95.01357	2.6
109.01430	1.5
113.02477	39.0
113.06107	32.7
114.02804	3.5
114.05630	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0611
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01884	9.2
56.57617	0.9
57.03449	37.5
58.52710	1.0
64.97690	0.9
66.03500	1.4
67.01897	2.3
68.99577	66.9
69.03461	8.1
69.99936	1.1
71.01392	4.0
72.99337	2.3
81.03460	1.6
83.01408	3.7
84.02183	14.7
85.02961	94.5
85.94993	0.9
86.03291	4.0
95.01395	2.9
98.19889	1.8
102.49108	0.9
112.98624	2.9
113.02476	35.6
113.06107	46.3
114.02024	2.3
114.02798	2.2
114.05630	100.0
114.06362	3.7
126.52078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53955	1.0
51.78221	1.0
55.01877	7.2
57.03180	2.3
57.03450	37.7
63.40155	1.1
66.03484	2.2
67.01884	2.0
68.99577	61.1
69.03454	5.3
71.01375	4.4
72.00886	1.3
72.99305	2.4
83.01385	4.7
84.01695	1.7
84.02168	12.2
85.02962	100.0
86.02475	1.1
86.03298	4.2
95.01411	3.5
98.20666	1.5
106.41343	1.1
108.49699	1.0
112.53526	1.0
112.98605	1.9
113.02462	37.6
113.03642	1.6
113.06068	1.3
114.02029	2.0
114.02776	2.4
114.05627	78.7
121.58612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1132.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
82.03002	0.3
83.01386	0.3
85.02956	1.1
86.03323	0.2
87.00892	0.2
94.02999	5.7
94.06612	0.3
95.05051	0.2
96.04570	0.5
99.00890	0.6
101.02469	1.8
108.04565	1.0
110.06136	1.0
113.02477	0.7
116.05080	4.4
120.08214	2.4
120.42846	0.2
120.59039	0.2
121.05388	0.2
122.06135	2.8
125.02414	0.3
128.05067	1.7
130.06642	2.5
132.04614	0.5
134.06145	0.2
135.04521	0.4
136.04059	0.7
137.04868	0.2
138.05626	2.8
140.05107	0.5
142.06644	84.1
143.05954	0.3
143.06999	4.3
144.04590	2.5
146.06145	0.9
148.07617	0.3
150.05632	0.9
158.06136	10.5
159.03006	0.2
159.06505	0.6
161.02438	0.3
161.04567	0.3
162.05632	1.0
164.07196	0.4
164.80978	0.2
165.05534	0.3
172.04085	0.7
174.05641	0.7
176.16907	0.2
179.03441	0.2
186.05623	26.6
187.05913	1.2
188.03549	1.3
189.10373	0.4
193.07173	2.9
201.10333	0.6
203.05902	3.8
204.06668	46.2
205.06996	2.7
209.10892	0.7
213.10342	0.9
215.11821	0.3
217.13484	0.2
222.07936	0.2
223.08794	0.8
224.09601	0.2
225.10353	0.6
231.11375	0.3
236.09567	0.7
237.10283	1.4
238.10718	0.2
239.08286	0.2
239.11893	0.5
241.09784	0.4
243.11375	1.2
246.07704	23.7
247.08063	1.7
248.09537	0.3
249.10291	1.3
250.07391	0.4
250.11189	0.4
251.08273	0.3
251.11916	3.5
252.12572	0.5
253.09900	0.4
253.13292	0.3
259.08762	0.2
261.10239	0.5
261.12497	0.8
262.07462	0.9
262.10986	0.7
263.08508	1.4
263.11856	2.6
264.09015	1.3
264.12183	0.3
265.09949	1.6
265.13309	1.5
266.10400	0.3
267.11371	0.9
269.13028	0.2
271.02509	0.4
273.10080	0.4
274.11050	0.3
275.08252	2.6
275.11740	0.6
276.09033	2.8
277.09814	10.4
278.10529	3.3
279.08075	0.4
279.11362	1.5
280.11893	0.4
281.09348	0.4
283.10840	0.6
285.12421	1.4
289.09814	0.9
290.10593	4.3
291.11380	9.8
292.09033	0.2
292.12146	4.4
293.09650	0.4
293.12875	2.2
294.10001	0.4
294.13516	0.4
295.07709	0.2
295.10815	1.0
296.08090	0.4
296.11496	0.3
297.12607	0.3
300.02753	0.8
301.03467	0.4
303.07718	0.4
303.13657	0.5
304.08627	0.7
305.09412	0.5
306.10120	0.3
307.10947	0.5
309.12466	0.2
310.09634	1.1
311.10327	0.4
313.12073	1.1
316.10876	0.3
317.09125	1.1
318.10074	7.8
319.10666	3.3
320.11353	0.3
324.11105	0.8
325.12003	2.0
326.12439	0.4
328.14746	0.3
330.12527	0.2
332.14105	1.0
335.10458	2.9
336.11090	3.3
337.11871	1.6
338.12372	0.3
343.12991	1.8
344.13925	1.0
345.14828	0.3
346.15707	1.4
347.16293	0.5
348.17072	0.5
350.09100	0.5
350.12802	0.3
351.13470	0.3
356.13953	0.8
357.14920	0.3
358.11703	0.4
358.15530	1.4
359.16602	0.4
360.17331	0.9
362.14874	0.3
369.11142	0.5
370.11694	0.5
370.15744	0.5
371.16754	0.5
372.13495	1.4
372.17340	0.6
373.14160	0.6
374.14761	1.8
374.18903	0.8
375.15442	0.3
376.16751	0.3
382.11731	0.4
382.16165	0.2
384.13055	1.0
384.17548	0.4
385.14255	0.3
386.15015	1.8
386.19165	0.3
387.15482	0.5
388.16629	1.8
389.17056	0.3
390.18283	0.3
391.18802	0.2
396.17426	0.5
398.15176	1.4
399.15726	1.2
400.16672	3.0
401.17258	0.6
402.18576	0.5
404.16006	0.4
405.12900	0.3
406.17743	0.8
412.16614	0.7
413.17307	0.4
414.18604	3.6
415.14639	0.4
415.19208	0.6
416.15979	1.1
417.16669	0.4
418.17728	2.5
428.16089	1.5
429.16949	0.7
430.17908	0.5
432.19547	0.4
435.18069	0.5
436.18744	0.5
437.19418	1.1
440.16107	3.1
441.16962	1.7
444.15515	0.3
446.16702	0.3
455.21063	0.4
457.16522	0.2
458.17252	4.0
459.17868	3.4
460.18668	0.9
461.19119	0.7
469.22668	0.5
471.17404	0.3
472.18561	0.9
473.22116	0.3
476.18213	0.7
477.18982	0.5
478.19843	0.5
479.20447	0.8
483.20477	0.6
490.19846	3.9
491.20245	0.3
495.20389	0.7
497.21887	0.4
505.09778	0.6
506.09836	0.3
508.20984	0.5
511.23462	0.6
512.18134	2.5
513.19086	0.7
515.22601	0.3
525.21466	0.8
537.21338	1.9
538.22021	0.3
553.24457	0.3
555.22467	2.4
556.22900	0.5
567.22424	0.8
568.22949	0.4
579.22461	1.4
580.22693	0.5
582.24518	0.8
587.25153	2.0
588.24268	0.3
594.24658	1.8
595.24213	0.5
597.23444	2.2
598.24255	0.4
605.26251	0.3
612.25763	1.0
615.24603	0.9
622.24243	0.4
629.26294	0.7
634.24316	0.7
647.27429	0.3
652.25214	1.4
653.25800	0.3
654.26746	0.4
663.26825	0.5
664.27325	0.3
665.27515	0.5
666.26819	0.9
672.27435	0.4
679.26794	0.8
684.27991	6.9
685.28088	1.0
689.29083	0.4
707.29608	0.7
708.29443	0.3
731.29047	0.7
732.30096	0.3
749.30762	2.4
750.30750	0.7
751.32336	2.6
752.32648	0.3
763.32343	9.1
764.32587	1.8
773.29620	0.5
781.33307	100.0
782.33582	20.3
791.31744	1.7
792.31641	0.4
793.33167	1.0
805.33264	6.8
806.33636	1.5
809.32739	0.8
823.34320	31.9
824.34662	7.3
824.47412	0.2
841.35620	3.7
842.35236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0247
Annotation	19322-27-1
Peak:m/z	Relative Intensity
51.33946	0.5
55.01877	4.9
57.03176	1.1
57.03448	15.6
66.03486	2.8
67.01880	1.4
68.99570	24.4
69.03461	1.3
70.13672	3.0
71.01382	1.9
72.63020	0.6
72.99313	4.5
83.01398	2.7
83.37926	0.7
84.02177	9.0
85.02959	55.1
86.02502	0.9
86.03299	2.4
95.01392	2.4
112.04087	0.6
112.98718	1.5
113.02470	10.8
114.05623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	2.0
83.01404	17.2
83.17909	1.1
85.02959	43.7
86.00108	3.1
87.00887	10.3
89.02457	21.6
95.01394	4.7
96.96046	1.1
97.02993	5.5
99.00894	7.5
99.04530	4.0
101.02458	55.3
103.04027	1.4
109.02951	2.7
111.00873	2.9
112.01699	2.3
113.02464	34.0
115.04033	1.5
119.03527	4.2
123.08236	1.1
125.02462	19.9
127.04029	2.6
131.03520	56.8
132.03922	1.7
143.03513	4.9
145.05101	1.7
149.04630	1.7
152.46791	1.2
159.02992	2.0
161.04567	4.2
163.06160	1.5
167.03551	1.3
175.03941	1.5
187.02498	19.1
191.05669	2.6
207.89313	1.3
256.23239	1.1
259.08185	1.8
275.78064	1.3
327.23175	2.2
329.24805	2.9
347.25760	1.4
369.58594	1.2
423.32794	3.0
453.33777	3.8
469.33200	2.1
553.15558	1.2
567.37366	1.8
603.39117	9.4
647.37726	1.8
669.13525	1.3
741.74481	1.2
747.43134	3.4
749.45093	71.2
750.45471	8.5
765.44623	3.1
845.47034	2.1
857.47723	3.0
875.47858	1.9
893.49335	85.3
894.49512	14.5
897.48517	1.3
911.50446	57.6
912.50629	9.3
935.50598	2.9
939.49243	1.8
953.32184	2.0
953.51556	58.1
954.52112	11.3
1025.53577	94.4
1026.53650	19.0
1043.54688	100.0
1044.54944	18.1
1085.55774	93.0
1086.55762	19.2
1129.53284	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	1127.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	0.5
96.46976	0.1
152.99600	0.5
167.69432	0.1
169.21417	0.1
245.04353	0.5
253.21692	0.2
254.22113	0.1
291.76120	0.1
423.32721	36.0
424.33051	4.1
437.12784	0.2
438.13519	0.4
439.14081	0.1
439.32281	1.3
452.14716	0.3
467.13428	0.2
467.31778	0.3
479.13776	0.1
480.14618	0.2
481.15173	5.1
481.25955	0.2
482.15649	0.9
482.26132	0.3
483.26041	0.2
483.31995	0.2
485.32693	100.0
486.33044	11.0
486.40320	0.2
495.16736	1.8
496.17154	0.3
514.14716	0.2
525.14636	0.2
539.16022	0.2
540.16412	1.6
541.17072	0.3
554.17938	0.3
555.18909	2.6
556.18805	0.4
572.15515	4.3
573.15845	0.7
586.16736	0.8
641.11743	0.2
641.22614	5.0
642.22760	0.8
1068.55103	0.2
1095.52771	0.7
1096.53979	0.2
1127.56238	97.5
1128.56445	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	1129.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03425	1.3
83.01395	13.2
83.02728	0.4
83.05009	0.6
84.02134	0.6
85.02959	41.8
86.00096	3.2
87.00889	8.4
87.04481	0.7
89.02452	18.4
93.03429	0.7
95.01400	4.6
97.02971	5.1
99.00349	0.5
99.00890	5.9
99.04551	2.3
101.02457	49.1
102.02723	0.6
103.04033	5.8
107.05029	0.6
109.02968	2.3
109.22911	0.4
111.00850	2.0
111.04557	0.4
112.01709	2.0
112.02367	0.4
113.02465	34.1
115.03990	1.0
119.03519	3.2
123.04556	0.6
123.08143	0.8
124.01665	0.5
125.02480	6.6
127.04023	2.8
128.29370	0.4
131.03520	50.6
132.03825	1.2
137.02431	2.0
137.03398	0.4
139.03906	0.6
143.03539	4.0
145.05019	1.1
149.04514	1.9
151.04018	0.6
155.03499	2.1
161.04546	2.4
163.06126	2.3
179.03429	0.8
179.05569	0.8
191.05659	2.5
233.06561	1.9
259.08270	4.5
275.07608	1.7
303.01907	0.4
315.23230	0.8
317.24918	5.2
371.25656	1.4
389.26895	1.4
469.33325	0.8
471.34662	1.0
506.05548	0.5
515.34320	0.6
541.35223	0.9
567.36725	2.7
603.39166	7.6
604.39172	1.4
647.38129	1.5
731.44037	0.7
747.43488	2.1
749.45117	81.3
750.45422	15.5
765.44135	1.7
819.45758	0.6
845.47375	3.7
846.47607	1.1
857.47272	1.9
858.48047	0.6
875.48792	0.9
879.48297	0.6
893.49365	100.0
894.49615	24.3
897.48535	0.7
911.50385	54.3
912.50604	12.2
935.50122	3.6
936.50537	1.2
939.49438	1.2
953.51538	54.3
954.32379	0.8
954.51831	16.2
1007.53381	0.9
1025.53516	62.9
1026.37634	0.5
1026.53711	17.4
1043.54590	71.6
1044.54797	19.5
1069.50122	0.8
1085.55725	80.2
1086.56079	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	2.1
83.01394	13.9
83.05054	0.6
84.02166	0.8
85.02958	44.3
86.00102	2.8
86.03297	0.3
87.00882	7.4
87.04525	0.8
89.02453	15.3
93.03469	0.5
95.01404	4.9
95.05069	0.3
97.02955	5.2
99.00887	5.6
99.04530	2.5
101.02455	50.0
102.02785	1.0
103.04021	5.0
107.05070	0.6
109.02967	2.2
111.00892	2.1
111.04518	0.6
112.01703	1.8
113.02463	33.2
115.04022	0.9
119.03522	3.7
123.04545	0.8
123.08175	1.2
124.01669	0.5
125.02466	8.3
127.04054	3.2
129.01978	0.7
131.03520	54.4
132.03847	0.7
135.04503	0.3
137.02467	2.2
139.03987	0.4
143.03519	5.0
145.05098	1.1
148.09023	0.3
149.02399	0.5
149.04576	1.6
151.04041	0.8
155.03471	1.6
159.02982	0.5
161.04581	2.7
162.03262	0.3
163.06142	1.4
167.03496	0.5
175.03983	0.4
179.03487	0.5
179.05608	0.5
185.04594	0.4
187.02495	3.8
191.05681	2.0
198.12546	0.3
215.05675	0.8
217.07158	0.3
231.08742	0.5
233.06635	1.8
259.08261	3.8
275.07715	1.7
293.08765	0.3
313.21985	0.4
315.23346	0.4
317.25012	0.4
327.23279	2.3
329.24884	2.6
347.22174	0.3
347.25952	1.1
355.87042	0.3
373.23819	1.1
383.25891	0.4
423.32809	2.6
424.32797	0.3
425.34167	0.9
433.30875	0.3
435.32642	1.2
453.33759	3.7
469.33151	1.1
541.35419	0.9
555.36981	0.8
567.36823	2.2
603.39050	8.1
604.39630	0.8
647.38208	1.7
693.39697	0.5
731.44153	0.4
747.43469	1.7
749.45105	100.0
750.45410	13.0
765.44501	1.2
791.46149	0.8
819.45648	1.1
845.47504	4.5
846.47748	0.6
857.47229	2.8
863.48047	1.1
875.47986	1.1
879.47321	0.8
893.49310	96.0
894.49622	14.6
897.48334	0.5
911.50354	62.8
912.50671	10.0
923.49451	0.5
935.50360	2.8
936.50732	0.3
939.48859	0.5
953.51538	42.4
954.51801	7.1
977.51068	0.6
1007.52502	1.2
1008.52197	0.4
1025.53540	67.6
1026.53772	12.8
1043.54541	77.9
1044.54822	13.6
1069.53223	0.7
1085.55701	55.1
1086.56055	10.4
1129.54382	0.8
1159.74719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	54.0
91.52633	0.4
93.87811	0.4
96.96988	3.9
110.74995	0.4
113.22915	0.4
150.98079	1.0
152.99611	62.4
153.99947	0.8
163.63634	0.4
171.00655	15.7
223.05365	0.5
227.03342	3.5
245.04312	73.4
246.04713	2.0
253.21724	35.0
254.22041	1.6
448.55820	0.5
481.25732	100.0
482.26086	8.5
485.32791	1.8
486.32950	1.0
604.26941	0.4
664.03680	0.5
739.44946	0.6
795.23016	1.7
884.50323	0.4
1123.49280	24.8
1124.49329	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	1123.769
Annotation	Unknow
Peak:m/z	Relative Intensity
102.15643	0.1
153.31934	0.1
171.10297	0.7
180.21494	0.1
198.81564	0.1
277.21738	0.3
375.29175	0.1
417.65524	0.1
455.35300	100.0
456.35632	11.1
712.43091	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	1125.7335
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03526	0.1
83.01407	0.4
85.02966	0.7
87.00881	1.0
89.02455	2.8
95.01398	0.3
97.02972	0.8
99.00925	0.3
101.02456	3.2
111.04568	0.1
113.02462	1.7
119.03515	0.9
125.02471	1.6
125.03322	0.2
131.03503	0.2
133.05067	0.2
139.04031	0.2
143.03523	0.7
147.04512	0.2
149.04562	0.1
157.05109	0.1
161.04599	0.8
165.05566	0.1
167.03555	0.2
179.05632	0.8
185.04724	0.1
221.06709	0.3
235.08228	2.3
245.06641	0.1
253.09293	0.4
255.23291	10.4
256.23474	0.5
257.01947	0.1
263.07736	0.2
277.09103	0.1
287.07825	0.7
301.88110	0.1
305.08826	1.0
323.09756	0.3
377.28278	0.1
379.12521	0.1
393.31573	0.2
397.13525	31.2
398.13916	2.1
415.14578	8.3
415.20300	0.2
416.15140	0.5
423.32553	0.3
469.33490	0.3
470.33640	0.3
471.34787	100.0
472.35138	13.1
653.37671	12.1
653.49188	0.2
654.38068	1.6
1125.73181	0.4
1139.63672	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	1122.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
81.63610	0.7
83.01397	2.3
83.35828	0.5
85.02969	9.7
86.03278	1.1
87.00889	1.9
89.02451	9.5
90.02794	0.7
95.01379	1.6
97.02957	0.8
97.55672	0.6
99.00890	1.3
99.84646	0.5
101.01860	1.1
101.02464	11.7
102.02836	0.8
111.00903	0.7
113.02463	7.7
114.02760	0.7
115.04088	0.6
117.03475	1.8
119.03515	4.0
119.05040	1.4
121.02061	0.6
121.02955	2.1
123.04527	0.7
125.02463	0.8
127.04109	0.7
131.03514	2.9
133.02945	1.0
134.03790	1.0
143.03516	2.3
145.02994	2.2
149.02464	0.9
158.06149	0.6
160.01697	1.2
161.02441	2.4
161.04584	2.2
163.04024	1.0
164.04680	0.8
179.05634	10.3
180.05975	1.6
190.02776	1.0
204.06560	1.0
211.06436	0.6
221.06628	1.3
452.99020	0.6
472.35129	1.1
474.36783	0.8
566.64899	0.6
929.51843	1.1
930.51862	1.3
980.45569	0.8
1059.57861	12.7
1060.57483	4.5
1061.58447	14.7
1062.58301	35.2
1063.59119	2.0
1104.58130	1.4
1121.57397	2.8
1122.57434	100.0
1123.57690	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	1122.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01404	2.9
85.02960	9.6
86.03313	1.4
87.00891	1.2
89.02452	6.6
90.02798	0.8
95.01401	1.6
97.02972	1.0
99.00895	1.6
101.02459	14.5
102.02782	1.9
103.02942	0.8
103.04015	1.4
113.02470	7.9
114.00623	0.4
114.02783	0.9
117.03465	0.7
117.05762	0.5
118.60159	0.6
119.03524	1.5
119.04990	0.7
121.02978	3.8
125.02449	1.2
131.03523	10.6
132.03880	2.5
133.02979	1.0
134.03746	0.6
135.04535	1.3
137.02493	1.0
143.03526	1.1
145.02960	1.7
147.04530	0.8
149.04593	0.9
160.01675	0.8
161.02461	1.5
161.04581	1.9
163.03978	1.2
163.61099	0.5
165.05586	1.8
175.02524	0.9
175.03957	0.9
179.03477	0.8
179.05667	1.1
191.03505	1.6
191.05640	0.8
221.06708	0.8
263.07758	0.8
275.22705	0.6
292.80518	0.6
301.34113	0.5
417.65817	0.5
620.38837	0.7
621.39221	0.7
639.07367	0.5
736.16223	0.6
765.44714	0.8
766.45154	1.9
767.45215	4.2
768.45398	2.7
770.40558	0.6
910.50616	0.7
911.50513	1.0
912.49500	1.9
927.50214	3.6
928.50269	6.9
929.50604	15.6
930.50702	20.7
931.51172	1.1
980.49170	0.7
1059.54614	8.1
1060.54150	6.9
1061.21777	0.8
1061.54761	22.9
1062.55042	63.7
1063.55420	5.0
1122.54065	100.0
1123.54382	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
77.83090	0.1
80.76324	0.1
81.03482	0.3
83.01399	3.4
84.02175	0.1
85.02962	12.9
86.00111	1.5
86.03282	0.3
87.00886	8.1
87.04520	0.3
89.02457	23.2
90.02788	0.3
95.01404	3.0
97.02966	1.3
97.38564	0.1
99.00896	2.6
99.01511	0.2
101.02459	26.8
101.43046	0.1
102.02791	0.4
103.04012	0.7
111.00896	0.5
112.01701	0.3
113.02470	18.1
114.02805	0.4
115.04036	0.3
118.98632	0.1
119.03523	8.1
121.72327	0.1
125.02460	0.9
129.01936	0.7
131.03528	9.8
131.82375	0.1
132.03865	0.2
133.03041	0.1
135.04608	0.3
143.03529	3.0
145.03047	0.1
145.05202	0.1
149.04553	0.9
150.03314	0.2
159.03018	2.3
160.01682	0.1
161.02400	0.6
161.04582	16.5
161.98511	0.1
162.04918	0.3
163.06161	0.2
165.05588	0.2
179.05632	12.9
179.56125	0.1
193.04941	0.1
205.03568	0.5
221.06674	17.2
222.07080	0.5
263.07715	7.4
264.08038	0.4
323.09869	0.5
341.10861	0.3
342.56299	0.1
383.29514	0.3
405.07928	0.2
471.34601	0.8
567.36902	0.2
633.40222	2.1
634.40692	0.4
645.01337	0.1
779.46307	3.9
780.46838	0.6
894.74030	0.1
959.52777	4.6
960.52716	0.8
975.52173	0.4
979.47461	0.2
1022.25952	0.2
1121.57825	100.0
1122.58081	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	1122.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	3.3
84.01744	0.5
85.02449	0.9
85.02961	13.0
86.03310	1.8
87.00893	2.5
88.72794	0.4
89.02457	13.9
90.02796	2.0
91.02872	0.6
93.23430	0.4
95.01385	1.9
97.02960	1.3
99.00894	1.8
101.02462	13.3
102.02784	2.5
103.02853	0.6
103.04057	1.3
113.02469	9.4
114.02809	1.7
119.03545	2.1
121.02951	0.5
125.02447	0.7
127.04047	0.4
131.03520	10.6
132.02182	1.2
132.03825	2.0
133.02184	0.5
133.03024	5.5
133.03981	1.0
134.03683	0.6
135.04576	3.0
136.01678	3.3
136.04829	0.7
143.03511	1.2
145.02914	0.5
145.97174	0.4
149.04552	1.9
151.04036	3.5
152.04387	0.7
153.87688	0.4
161.02464	14.0
161.04539	1.0
162.02814	2.2
165.01895	0.4
175.04060	0.4
177.05563	0.4
179.03537	2.6
179.05553	0.6
180.03738	0.5
191.05647	0.9
203.63463	0.4
221.04582	0.7
230.25551	0.6
233.06686	0.7
234.07010	0.5
241.08702	0.5
251.05429	0.4
281.06699	1.1
306.74197	0.4
341.08914	0.4
383.09839	3.5
384.10147	1.3
395.15765	0.4
455.31763	1.5
456.32004	1.6
457.32108	1.1
468.32300	0.6
469.32016	0.6
488.30774	0.8
531.33667	0.5
540.64282	0.5
619.38629	1.6
620.39099	2.5
621.39447	1.8
622.39563	2.3
765.44812	2.0
766.44885	2.5
767.45551	3.5
768.45453	2.1
781.43488	0.5
782.44763	0.6
783.44073	2.0
784.44537	0.9
910.49139	0.9
911.50134	1.8
912.49988	1.8
915.49078	0.5
916.49811	0.9
927.50006	6.9
928.50348	11.3
929.50464	31.0
930.50739	36.7
931.50507	2.6
995.45453	0.8
996.45386	1.3
1059.53955	12.4
1060.54407	6.2
1061.54736	27.8
1062.54956	73.1
1063.55432	5.0
1104.54199	0.7
1122.53894	100.0
1123.54114	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	1121.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
79.62533	0.2
81.03457	0.3
83.01394	3.1
85.02963	8.7
86.00062	0.4
87.00891	1.4
87.04520	1.9
89.02454	6.5
90.52383	0.2
93.03400	0.2
95.01398	1.1
97.02923	0.4
98.19851	0.6
99.00903	1.5
99.04491	0.3
101.02458	13.6
102.02818	0.2
103.04009	1.3
109.02863	0.3
111.00885	0.3
112.01595	0.7
113.02464	6.7
119.03528	2.1
119.04978	0.4
121.02911	0.4
125.02401	0.7
127.04026	0.4
131.03525	11.9
132.02121	0.3
133.02908	0.4
134.03772	1.4
137.02415	0.3
143.03482	0.9
145.05016	0.3
149.04501	0.5
149.05933	0.4
159.02989	0.3
160.01704	1.5
161.02362	0.7
161.04530	1.2
161.05792	0.2
163.03981	0.2
163.06137	0.2
165.05498	0.2
175.03986	2.0
179.05482	0.4
191.05617	1.4
193.05048	1.5
207.10193	0.2
209.11731	0.2
230.26010	0.3
230.28020	0.2
235.05980	0.3
265.06854	0.2
325.20175	0.2
371.29300	0.4
381.27869	1.2
383.29602	1.4
397.11258	0.6
401.30627	6.8
402.30902	0.6
453.33603	1.0
459.34802	1.9
471.34793	1.0
489.35898	1.0
533.34973	1.5
534.34906	0.2
585.37775	0.7
591.39026	1.3
592.39764	0.3
603.38800	0.8
621.40216	1.4
622.41443	0.2
625.35901	0.3
737.44904	0.4
749.45313	0.7
767.46149	3.9
768.46002	0.5
769.40924	0.3
787.41223	1.4
788.42377	0.3
911.50476	2.7
912.51599	0.4
919.45795	2.6
920.45966	0.6
929.51410	25.6
930.51807	5.7
973.48785	0.3
1043.54785	0.6
1044.53943	0.3
1061.55591	100.0
1062.55872	28.1
1088.55029	0.2
1121.56421	3.6
1122.56445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5782
Annotation	11-Oxomogroside IV A
Peak:m/z	Relative Intensity
81.03471	0.2
83.01395	4.1
84.02189	0.3
84.43526	0.1
85.02960	15.5
86.00102	1.7
86.03300	0.3
87.00887	8.6
87.04549	0.2
89.02454	23.1
90.02790	0.3
95.01403	3.8
97.02955	1.0
99.00892	3.7
99.04503	0.2
101.02457	28.1
102.02795	0.4
103.04022	0.5
105.17289	0.1
109.02916	0.1
110.01055	0.1
111.00918	0.6
113.02466	19.1
114.02794	0.3
115.04023	0.4
119.03521	9.0
120.03878	0.2
125.02471	1.0
127.04166	0.1
129.02007	0.6
131.03523	10.7
135.52551	0.1
143.03520	3.9
149.04559	0.8
150.03261	0.2
159.03015	2.7
160.01692	0.2
161.04576	17.0
162.04919	0.4
175.04012	0.1
179.05627	13.7
180.05930	0.2
205.03549	0.4
205.07135	0.2
221.06671	18.4
222.07036	0.6
263.07700	8.9
264.08102	0.3
323.09872	0.5
341.11057	0.2
381.28152	0.1
383.29730	0.3
471.34854	2.1
472.35043	0.2
508.05936	0.1
615.39166	0.2
633.40167	0.3
779.46155	3.9
780.46625	0.7
941.50861	0.2
959.52521	6.8
960.53546	0.8
975.52167	0.9
976.52478	0.3
1121.57776	100.0
1122.58044	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	1121.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	0.3
83.01400	3.7
84.01697	0.2
85.02960	14.8
86.00104	1.5
86.03279	0.3
87.00884	8.3
87.04534	0.2
88.98795	0.2
89.02456	21.4
90.02757	0.3
95.01402	3.1
97.02954	1.5
99.00887	3.0
99.04488	0.3
101.02458	28.2
102.02807	0.5
103.04028	0.8
109.02976	0.3
111.00911	0.8
112.01706	0.3
113.02467	17.9
114.02772	0.5
115.00388	0.5
115.03992	0.4
117.03460	0.7
119.03523	8.6
119.04959	0.5
121.02953	0.7
121.58103	0.2
122.03762	0.3
125.02466	1.6
129.01965	0.7
131.03522	8.8
132.02199	0.3
133.02963	1.2
134.03778	0.7
135.04573	1.2
136.36859	0.2
137.02444	0.5
139.00459	0.4
142.06619	0.8
143.03535	3.2
145.02959	0.7
149.02441	0.7
149.04543	0.8
150.03197	0.8
159.02992	2.3
160.01662	0.7
161.02580	2.3
161.04575	16.9
162.04930	0.4
163.03961	0.4
163.06212	0.2
165.01817	0.4
165.05583	0.9
170.44609	0.2
171.16750	0.2
174.01744	0.3
175.02415	0.7
175.04057	0.7
177.01851	0.4
179.03593	0.5
179.05623	11.1
180.04083	0.3
180.06046	0.3
193.05040	0.5
194.05113	0.3
194.76318	0.2
195.06519	0.2
205.03456	0.3
221.06670	15.3
222.06924	0.6
247.76950	0.2
263.07690	6.4
267.24811	0.2
292.66443	0.2
323.09769	0.6
341.10529	0.3
412.24585	0.2
460.15335	0.2
471.34619	0.7
473.36560	1.1
485.14984	0.3
491.30331	0.3
567.36975	0.3
633.40186	2.0
634.40582	0.4
779.46118	3.3
780.47418	0.3
797.45056	0.3
817.42224	0.6
925.34509	0.3
929.51050	0.9
959.52936	4.5
960.52618	0.8
975.52515	0.5
979.47894	6.5
980.48254	1.1
1060.54626	0.4
1061.55371	4.5
1062.56775	0.9
1074.02051	0.3
1121.57861	100.0
1122.58105	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03480	0.2
83.01399	4.6
84.02193	0.3
85.02962	13.9
86.00111	1.0
86.03302	0.4
87.00889	6.7
87.04539	0.3
89.02458	19.4
90.02807	0.2
92.67798	0.1
93.03503	0.1
95.00800	0.2
95.01399	3.4
96.01804	0.2
97.02966	1.5
99.00903	2.8
99.04541	0.3
101.02461	25.8
102.02789	0.6
103.04025	0.9
109.02944	0.1
111.00896	0.6
112.01707	0.3
113.02470	18.0
114.02793	0.3
115.04037	0.3
117.03395	0.2
119.03527	7.2
119.05006	0.4
120.03860	0.2
121.02936	0.3
122.06044	0.2
123.04559	0.2
125.02466	1.6
125.94374	0.1
129.01953	0.7
131.03525	7.4
132.02170	0.3
132.03864	0.2
133.03030	0.3
134.03783	0.3
135.04558	0.2
137.02426	0.3
139.00378	0.2
139.07727	0.2
141.01978	0.2
143.03532	4.5
145.02971	0.6
145.05054	0.2
147.04590	0.2
149.02460	0.2
149.04552	0.5
150.03230	0.3
159.03015	2.0
161.02641	1.1
161.04585	13.6
162.03047	0.1
162.04906	0.4
163.04076	0.3
165.05574	0.4
167.03485	0.2
168.75549	0.1
175.02475	0.1
175.03972	0.3
177.05568	0.1
178.02444	0.1
179.05638	8.4
180.05956	0.2
191.03639	0.2
193.05093	0.3
196.65620	0.1
205.03535	0.4
205.06973	0.2
219.13962	0.4
221.06677	11.9
222.07033	0.3
229.42223	0.1
263.07706	5.0
264.08224	0.1
323.09796	0.4
329.24820	0.2
383.29568	0.4
469.33325	0.2
471.34747	1.9
472.35233	0.3
473.14206	0.1
541.35419	0.1
567.36719	0.2
587.40051	0.2
631.27765	0.2
633.40253	2.1
634.40686	0.5
730.54999	0.2
767.47327	0.2
779.46130	3.1
780.46808	0.5
795.46771	0.3
928.50708	0.5
929.51013	1.5
930.49414	0.2
941.51825	1.5
942.52673	0.3
959.52740	4.2
960.53558	0.9
975.52112	3.1
976.52374	0.5
979.48059	1.4
980.49951	0.3
1060.54407	0.4
1061.54968	3.2
1062.55444	0.7
1121.57849	100.0
1122.58032	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
79.11957	0.2
81.03431	0.3
82.14429	0.2
83.01396	4.9
85.02961	15.5
86.00106	1.1
86.03294	0.5
87.00888	4.6
87.04542	1.9
89.02457	15.3
90.02769	0.2
95.01400	2.1
97.02960	1.1
99.00892	2.4
99.04537	0.3
101.02458	25.3
102.02744	0.4
103.04037	1.7
109.02928	0.4
111.00866	0.5
112.01725	1.0
113.02467	12.9
114.02753	0.6
115.04021	0.4
117.03407	0.2
117.84354	0.3
119.03525	5.0
119.04943	0.4
125.02385	0.9
127.03976	0.5
129.01900	0.3
131.03526	16.8
132.02133	0.6
132.03835	0.4
133.02945	0.5
134.03764	2.4
135.04495	0.3
137.02373	0.3
143.03542	2.1
145.02917	0.5
145.05031	0.3
149.04514	0.5
149.06020	0.2
150.03197	0.3
159.02933	0.8
159.04118	0.2
160.01688	1.9
161.02385	0.5
161.04575	6.9
161.05853	0.3
162.04803	0.4
163.03981	0.4
163.06061	0.5
165.05499	0.2
175.04042	3.0
176.04607	0.3
178.02675	0.2
179.05630	6.1
179.67487	0.2
191.05533	1.1
191.07053	0.4
193.05048	1.9
205.05032	0.3
221.06676	6.9
233.06656	0.3
235.06038	0.6
263.07724	4.2
264.07925	0.3
265.07196	0.3
313.21521	0.3
345.24048	0.3
355.10306	0.2
371.29593	0.3
381.27988	1.0
383.29645	1.1
397.11346	0.8
401.30682	6.7
402.30963	0.9
439.32321	0.5
453.33896	1.1
455.31696	0.5
459.34622	1.3
471.34998	1.6
489.35706	1.4
507.29306	0.3
515.33771	0.5
533.34766	1.7
534.35052	0.3
585.37897	0.6
591.39197	1.2
592.39441	0.3
603.39246	1.1
605.36652	0.2
615.39301	0.3
621.40094	1.6
622.40741	0.4
633.40161	0.8
749.44806	1.0
765.45367	0.4
766.45087	0.3
767.46100	4.5
768.46637	0.7
779.46149	5.0
780.46869	0.9
911.49951	2.8
912.50726	0.3
927.50922	0.4
928.50342	1.5
929.51367	35.1
930.51630	5.8
959.53772	1.0
973.50012	0.3
975.52106	0.5
979.48535	0.2
995.46558	1.0
1043.55603	0.3
1060.54077	1.3
1061.55554	100.0
1062.55872	23.1
1103.56604	1.0
1121.57690	39.9
1122.57629	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	1120.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	3.9
85.02438	0.7
85.02956	13.3
86.00104	0.5
86.03281	1.4
87.00880	1.5
89.02452	8.8
95.01377	1.9
97.02969	1.6
98.20560	0.6
99.00890	2.1
101.02459	21.4
102.02802	1.5
103.02895	0.5
103.04016	1.8
111.00909	0.7
113.02460	9.6
114.02798	1.2
115.04059	0.4
119.03510	2.7
121.02977	0.6
123.08134	0.5
125.02421	1.3
127.63585	0.4
129.01950	0.6
131.03522	13.0
132.03854	2.1
133.02936	0.7
133.03870	0.7
134.03751	0.7
135.04544	0.8
140.16556	0.4
143.03526	1.1
145.02977	1.5
145.05075	0.6
149.02405	0.4
150.03238	1.0
160.01634	1.0
161.02495	2.1
161.04555	2.3
162.02866	0.5
165.05586	0.7
175.02528	0.8
175.04030	0.7
179.03581	0.5
179.05583	0.8
190.02664	0.6
193.05014	0.6
195.63223	0.3
204.06525	0.5
317.24945	2.0
318.25058	2.3
319.25339	0.7
327.23260	0.5
371.25800	0.5
389.27020	0.7
390.27252	0.9
391.27612	0.6
454.34082	0.5
471.34940	1.7
473.35306	0.5
603.38898	0.7
604.38684	0.6
605.39374	0.9
744.93378	0.4
750.45227	0.6
751.45929	1.2
752.46436	0.6
765.44653	0.9
766.44727	1.5
822.93488	0.5
829.43323	0.5
895.51636	1.9
896.51227	5.7
897.51740	13.1
898.51880	9.7
899.51526	0.5
910.49219	0.8
912.50275	0.7
913.50848	1.5
914.50616	1.3
927.49988	4.2
928.50244	11.5
929.51141	1.3
941.51068	0.7
947.29144	0.5
959.53180	0.9
975.52075	2.4
1057.56885	1.9
1058.56421	5.4
1059.56482	40.7
1060.56458	100.0
1061.56042	9.6
1077.40759	0.5
1120.56091	15.4
1121.57825	31.2
1137.99512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	0.3
83.01393	4.3
83.05071	0.1
84.02175	0.2
85.02961	13.0
86.00110	0.3
86.03275	0.1
87.00885	2.2
87.04511	0.3
89.02456	16.9
90.02814	0.2
95.01399	2.4
97.02968	0.7
99.00900	1.5
99.61749	0.1
101.02459	16.2
102.02807	0.1
108.21998	0.1
111.00881	0.3
112.01659	0.2
113.02466	11.4
113.48525	0.1
115.04024	0.3
117.03465	0.2
119.03518	2.9
119.04317	0.3
121.06622	0.1
123.08181	0.3
125.02447	0.7
127.04028	0.3
131.03525	13.7
132.03902	0.2
137.02496	0.2
141.22894	0.1
143.03505	1.5
145.05086	0.3
147.08173	0.1
149.04570	2.5
155.02089	0.1
159.02998	0.3
161.02455	0.2
161.04564	1.3
163.06146	0.8
175.04002	0.2
179.05630	0.4
191.05623	1.6
205.07161	0.4
213.76146	0.1
230.56409	0.2
233.06616	1.1
260.58093	0.1
288.86993	0.1
293.08975	0.2
294.83160	0.1
297.22226	0.2
313.21545	0.3
325.21750	0.2
345.24496	0.3
380.68079	0.1
391.29950	0.1
421.30942	0.3
437.30301	0.2
439.32166	0.4
441.33945	0.1
453.29904	0.4
455.31702	3.9
456.32050	0.4
467.31564	1.5
469.33972	0.2
485.32721	0.3
487.34167	1.8
488.35281	0.2
531.33264	0.9
532.33063	0.2
583.36475	0.6
619.38672	7.0
620.38922	1.0
663.37097	0.1
765.44586	7.2
766.45105	0.7
781.44000	2.7
782.44354	0.2
895.47845	0.1
909.48627	3.9
910.49139	0.6
913.48395	1.5
927.49847	69.7
928.50183	13.6
1059.54004	100.0
1060.54333	23.5
1119.55078	0.5
1120.56104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03481	0.3
81.13816	0.1
83.01396	4.1
84.02195	0.1
84.57145	0.1
85.02962	11.7
86.00107	0.6
86.03275	0.1
87.00894	1.5
87.04537	0.2
89.02459	7.6
95.01402	1.1
97.02957	0.8
97.85049	0.1
99.00909	1.6
99.04550	0.3
101.02460	15.6
102.02818	0.3
109.02972	0.1
111.00925	0.3
112.01681	0.5
113.02469	6.9
114.02794	0.2
115.04043	0.3
115.49482	0.1
119.03529	2.0
119.05021	0.1
121.02987	0.3
125.02452	0.7
127.04036	0.3
129.01965	0.2
131.03528	15.9
132.03923	0.2
143.03514	0.9
145.05048	0.2
147.04570	0.2
149.04572	0.8
159.03033	0.4
161.02470	0.3
161.04579	1.1
163.06186	0.3
165.05612	0.2
170.07881	0.1
179.05678	0.2
180.54515	0.1
191.03758	0.3
191.05640	1.0
205.34679	0.1
233.06664	0.4
259.08286	0.3
272.25412	0.1
411.28928	0.2
429.30280	0.3
485.32892	0.3
557.34784	0.2
571.05151	0.1
583.36237	0.4
619.38672	2.6
620.39038	0.3
663.37689	0.4
765.44666	7.8
766.44867	0.9
781.44403	0.3
785.40515	0.2
895.50964	1.4
909.49036	3.0
910.48920	0.4
913.48254	0.3
917.44128	0.2
927.49884	42.1
928.50159	5.8
1059.54065	100.0
1060.54395	17.1
1119.53125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03481	0.3
83.01395	4.3
85.02960	10.3
86.00107	0.5
87.00886	1.6
89.02454	7.2
94.82716	0.2
95.01396	1.7
96.74976	0.2
97.02973	1.0
99.00883	1.7
99.04525	0.2
101.02456	15.4
109.02979	0.3
111.00915	0.4
112.01682	0.6
113.02465	9.4
114.02763	0.2
116.92843	0.2
117.03480	0.4
119.03521	1.7
119.05014	0.8
121.02976	0.2
125.02450	1.4
127.03998	0.3
129.01961	0.3
131.03523	12.4
132.02069	0.2
132.03838	0.3
133.02904	0.2
134.03732	0.3
135.04539	0.3
137.02448	0.2
143.03516	1.4
145.02986	0.6
149.04536	0.5
159.02989	0.5
160.01762	0.2
161.02415	0.7
161.04576	2.0
163.04016	0.4
165.05617	0.3
175.03958	0.4
179.03441	0.3
179.05602	0.5
191.05663	1.2
193.05107	0.2
205.07135	0.2
211.07661	0.2
221.06609	0.4
233.06575	0.4
251.07913	0.2
253.25140	0.2
323.09677	0.2
383.11868	0.4
411.28995	0.2
429.29733	0.3
469.33377	1.1
470.33646	1.5
471.34689	5.1
472.35062	0.5
485.15216	0.6
485.32901	0.2
545.17261	0.7
557.35297	0.2
583.36511	0.4
619.38800	1.9
620.39142	0.3
647.20465	0.6
663.37451	0.3
737.75555	0.2
765.44702	4.8
766.44836	0.9
781.43774	0.8
795.43024	0.2
830.32813	0.2
895.50189	0.4
909.48578	2.2
910.49286	0.4
913.48480	1.1
927.49854	31.8
928.50275	6.3
957.50879	1.2
999.52002	0.2
1059.53992	100.0
1060.54382	22.5
1119.56091	4.5
1120.55322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	4.9
85.02964	12.7
85.03441	0.6
86.00066	0.6
87.00887	2.8
88.98766	0.4
89.02454	13.7
95.01392	1.8
95.01831	0.3
97.02898	0.9
99.00900	1.7
100.03964	0.4
101.02460	16.8
101.03085	0.6
102.02787	0.5
111.00876	0.4
112.01581	0.7
113.02467	10.9
117.03405	0.6
118.17171	0.4
119.03558	2.7
119.04955	1.3
121.02905	0.5
125.02439	0.8
127.03983	0.4
129.01874	0.4
131.03523	14.9
133.02896	0.5
134.03709	0.9
135.04462	0.6
139.03976	0.4
143.03517	2.0
145.02892	1.5
146.38071	0.4
147.08156	0.6
149.04575	2.0
159.02934	0.6
160.01608	1.0
161.02342	1.6
161.04587	2.0
161.05693	0.4
163.03952	0.7
163.06082	0.9
175.03897	0.9
191.05611	1.7
193.05101	0.5
211.07532	1.0
230.36523	0.5
233.06462	0.7
393.25833	0.4
430.56485	0.4
444.91083	0.4
455.31860	2.8
467.31436	1.1
469.32605	0.4
471.34302	0.6
485.32703	0.6
487.34818	0.8
503.29422	0.5
531.32806	0.6
557.35089	0.4
619.38507	4.2
620.38666	0.9
764.44043	0.5
765.44543	7.5
766.45221	0.8
781.43390	1.9
782.44458	0.5
809.71344	0.4
909.48389	3.7
913.48047	1.0
925.48615	0.6
926.48712	1.9
927.49799	63.2
928.50342	9.4
1041.57422	0.7
1058.53015	1.4
1059.53967	100.0
1060.54297	17.8
1062.32288	0.4
1075.55090	0.5
1097.56616	0.4
1119.55444	4.7
1120.53259	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	1117.7377
Annotation	Unknow
Peak:m/z	Relative Intensity
87.66023	0.1
93.03502	0.1
96.49860	0.1
98.20628	0.2
110.95081	0.1
112.60883	0.1
117.03486	7.4
118.03860	0.1
119.05045	6.6
120.05383	0.2
121.02977	0.8
123.04552	0.2
133.02960	0.2
140.99553	0.1
145.02977	19.8
146.03320	0.6
147.33435	0.1
162.03226	0.3
163.04033	1.9
213.94478	0.1
315.22556	0.1
342.30930	0.1
405.31509	0.1
419.92511	0.1
423.32751	2.4
424.33118	0.3
453.33704	1.9
454.33978	0.3
497.32779	1.3
498.33011	0.2
499.34280	37.3
500.34662	4.6
505.32971	0.1
573.39398	0.3
617.38617	100.0
618.38947	15.9
774.35748	0.1
1047.71436	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	1117.7381
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03423	0.1
102.46838	0.1
116.92867	0.3
117.03485	5.6
118.03782	0.2
119.05046	3.5
121.02942	0.7
123.04516	0.2
133.02985	0.1
145.02974	14.7
146.03293	0.4
162.03212	0.3
163.04025	3.0
205.54482	0.2
232.54161	0.1
259.78644	0.2
296.14050	0.2
386.75900	0.1
453.33963	1.1
499.34296	3.1
500.34521	1.1
501.35553	0.7
573.39557	0.6
617.38605	100.0
618.38934	17.2
844.88232	0.2
876.98877	0.2
895.55682	0.2
1117.59912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
80.83630	0.1
81.03452	0.1
83.01395	2.1
83.01866	0.1
83.05034	0.2
84.02166	0.2
85.02963	8.3
86.00114	0.7
86.03312	0.1
87.00889	0.7
87.04504	0.3
89.02456	3.9
95.01400	0.9
97.02964	0.4
98.20622	0.1
99.00898	0.9
99.04538	0.2
101.02461	12.1
102.02780	0.2
103.04023	1.3
109.02963	0.2
111.00876	0.1
112.01698	0.5
113.02468	4.1
115.04048	0.1
119.03517	1.5
123.08179	0.6
125.02468	0.3
127.04028	0.2
129.64085	0.1
131.03528	10.4
132.03833	0.2
132.45641	0.1
134.03769	0.1
137.02501	0.1
143.03523	0.3
145.05099	0.9
149.02470	0.1
150.03246	0.2
150.43515	0.1
159.03041	0.1
160.01747	0.2
161.02454	0.2
161.04541	0.6
163.06143	0.3
165.05602	0.3
175.04018	0.2
179.05612	0.4
181.09552	0.1
185.73286	0.1
193.05113	0.1
241.95694	0.1
259.08334	0.1
299.23911	0.1
315.23407	0.2
317.24875	4.6
318.25327	0.4
327.23364	0.2
329.24835	0.2
329.53674	0.1
337.09592	0.2
341.24841	0.2
359.25757	0.4
361.23972	0.1
371.25949	0.9
389.26978	1.5
390.27182	0.1
423.32681	0.4
425.34283	0.2
431.27966	0.2
433.31741	0.1
435.32645	0.4
449.29019	0.2
453.33734	0.8
454.33279	0.1
469.33417	0.2
471.34903	1.5
477.34576	0.1
489.35815	0.1
491.30096	0.1
515.33942	0.4
521.31134	0.3
533.16504	0.1
541.35211	0.3
545.17181	0.2
555.36865	0.2
567.36957	0.2
585.37872	0.2
603.39111	1.8
604.39551	0.2
617.41107	0.2
647.37854	0.3
713.43475	0.2
731.43896	0.2
749.45197	2.0
750.44623	0.1
895.50946	20.3
896.51178	2.9
911.50452	1.9
912.50977	0.3
921.31830	0.2
1057.56116	100.0
1058.56409	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01404	2.3
83.04999	0.2
85.02966	7.8
86.00116	0.6
86.03319	0.2
87.00887	1.0
87.04542	0.2
89.02452	3.9
95.01397	1.0
97.02969	0.7
99.00896	1.0
99.79898	0.2
101.02461	11.1
103.04021	0.5
109.02953	0.4
111.00909	0.4
112.01685	0.3
113.02473	4.9
116.92883	0.2
117.03477	0.3
119.03533	1.3
119.05032	0.5
121.02972	0.4
123.08175	0.5
125.02453	0.5
127.04044	0.5
129.01971	0.2
131.03529	10.1
132.03874	0.2
133.02945	0.3
134.03767	0.5
135.04561	0.3
143.03526	0.4
143.10826	0.2
145.02968	0.9
145.05040	0.9
149.02530	0.3
150.03226	0.6
151.04001	0.2
159.03012	0.2
160.01651	0.5
161.02498	0.8
161.04549	1.0
163.03976	0.4
165.05600	0.7
166.02699	0.2
167.03596	0.2
175.04015	0.6
179.03549	0.2
179.05612	0.6
179.07057	0.2
181.05095	0.2
190.74100	0.2
193.05113	0.4
195.06706	0.3
208.99176	0.1
263.08136	0.2
307.08286	0.2
317.24902	4.0
318.25287	0.4
337.09497	0.4
341.10349	0.4
341.25049	0.3
359.25885	0.4
371.26050	0.8
383.11993	0.2
389.27039	1.5
393.17700	0.4
423.32611	0.7
427.11276	0.2
449.29236	0.4
453.33810	0.7
469.33765	0.3
471.34979	1.2
472.35388	0.3
485.15582	0.3
485.32047	0.2
515.33698	0.6
521.31354	0.2
603.39117	1.8
604.39044	0.3
615.40039	0.2
647.38245	0.4
713.42889	0.2
749.45160	1.3
750.45544	0.3
781.44476	0.4
883.43915	0.3
895.50909	10.3
896.51111	1.7
900.74805	0.2
911.50427	4.4
912.50360	0.8
921.32214	0.2
925.47150	0.2
943.49609	0.3
956.37701	0.2
958.51538	0.2
979.46454	0.2
1057.56152	100.0
1058.56396	27.2
1075.54700	0.5
1085.48035	0.4
1117.52856	0.8
1118.55945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
84.20834	0.1
91.05569	0.1
96.96043	0.1
100.39659	0.1
125.02462	0.1
129.01984	0.3
201.82028	0.1
233.10652	0.1
339.93314	0.1
423.29462	0.1
436.15521	0.1
437.12592	0.3
438.13153	0.8
439.13696	0.1
439.31760	0.2
440.32523	0.1
449.16251	0.2
451.13803	0.7
452.14951	2.8
453.15277	0.7
454.15753	0.1
457.51895	0.1
465.16788	0.8
466.16733	0.9
467.16769	0.3
469.11218	0.2
470.11285	0.1
475.14154	0.2
477.15674	0.2
478.12732	0.2
479.18146	0.9
480.13452	0.9
481.15073	7.4
482.15515	1.6
483.15121	0.2
484.13495	0.5
485.32651	1.1
486.33160	0.6
489.15793	0.1
490.16165	0.1
492.13669	0.1
492.18088	0.1
493.15369	1.7
494.15787	1.1
495.16785	13.8
496.17126	3.1
497.17181	0.5
498.15274	0.5
502.14856	0.3
503.13971	0.2
507.16266	1.2
508.17838	2.1
509.18381	1.2
510.17529	0.3
512.12939	1.7
513.13843	0.3
514.14703	0.2
518.15771	0.3
519.16620	0.3
521.14398	0.9
522.15613	0.4
523.19122	0.7
524.17102	0.3
525.14868	0.4
526.14716	1.0
527.15503	0.3
530.14417	0.4
533.18274	0.8
534.18542	0.2
535.16254	2.2
536.16980	2.9
537.17047	0.6
538.14691	0.1
539.15417	0.7
540.16827	2.8
541.16888	0.7
542.15350	0.1
544.15961	0.2
549.17529	0.2
550.18060	0.2
551.19360	43.7
552.19653	10.4
552.26379	0.1
553.18982	1.9
554.18811	1.4
555.19049	1.2
556.19128	0.3
567.19073	0.7
568.15894	0.8
569.17194	0.3
572.15601	3.8
573.15894	1.0
574.16003	0.2
583.22247	0.5
584.22235	0.1
585.20154	0.1
586.17206	3.9
587.17236	1.0
588.16907	0.2
595.18542	1.8
596.18243	0.4
600.18500	0.4
627.21149	100.0
628.21417	24.1
629.21222	4.3
630.21094	0.6
643.20325	0.5
644.20129	0.1
893.15137	0.1
1113.54651	2.1
1114.55261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.516
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	3.7
81.99342	0.4
83.01396	18.0
83.05030	1.5
84.78366	0.5
85.02962	28.4
86.00099	1.5
87.00378	1.0
87.00882	11.1
87.04533	1.1
89.02456	10.8
93.03466	3.8
95.01403	11.6
95.05028	0.6
96.96062	0.6
96.99336	1.7
97.02967	21.6
99.00901	6.7
99.04546	1.5
99.92604	0.8
101.02462	28.3
103.00373	0.5
103.04030	5.4
105.03504	0.6
107.05033	1.5
108.02158	1.1
109.02971	8.7
111.00918	2.7
111.04542	1.0
112.01668	2.3
113.02469	31.3
114.02789	0.7
115.04026	2.7
116.92887	2.7
117.03484	0.7
119.03519	3.6
119.05017	0.8
121.02995	4.3
123.00890	1.4
123.04536	1.9
123.08196	0.7
124.01672	1.1
125.02472	22.4
126.02847	1.0
127.04063	3.3
129.01955	0.6
131.03577	2.5
135.04549	1.4
136.01674	0.8
137.02477	10.7
139.00385	0.6
139.04065	2.6
141.01938	2.3
142.02721	1.4
142.81822	0.5
143.03528	27.7
144.03799	0.6
145.03027	0.8
145.05099	3.3
147.04517	0.7
149.02483	5.3
151.04021	3.2
155.03517	4.7
161.02463	0.9
161.04585	9.6
162.04837	0.6
163.04015	1.6
163.06136	6.6
165.01917	1.0
165.05626	0.6
167.03525	8.1
175.04010	1.4
177.05614	0.8
179.03528	7.9
179.05685	0.7
181.05066	1.1
183.06662	0.6
185.04587	9.7
191.03510	1.8
193.05130	0.8
197.04662	0.9
205.07211	1.6
206.15659	0.6
207.06779	0.7
209.04547	3.5
211.07629	1.5
227.05533	1.2
233.06638	2.1
251.05595	1.1
255.02957	0.7
257.06763	1.0
262.14526	1.5
269.06601	1.0
271.02429	1.3
271.08188	2.2
287.07660	2.3
289.09296	30.2
290.09625	1.4
300.02689	1.8
301.03494	0.8
322.16632	2.3
327.23260	0.7
329.24738	1.2
331.10251	3.5
373.11481	1.7
376.21350	1.4
403.69077	0.5
423.32700	1.1
433.13712	0.7
436.23468	1.6
436.30814	0.5
453.33752	1.8
469.33606	1.0
504.29489	1.2
567.36841	4.5
597.37793	0.9
609.14539	1.7
633.40131	9.6
634.40320	2.2
635.41479	0.6
711.40253	1.0
759.43365	4.0
760.44019	0.7
761.45001	1.3
777.44421	4.5
779.46161	35.6
780.46466	5.2
791.27954	0.7
795.45111	1.2
821.47479	5.4
822.47595	1.0
837.46222	1.0
875.48431	0.9
887.48608	2.5
905.49420	25.1
906.49475	5.0
923.50397	100.0
924.50647	19.5
941.51672	23.2
941.71429	0.8
942.51935	4.7
943.51306	0.8
965.51605	16.7
966.52484	4.3
983.52582	56.4
984.52972	13.3
1025.53894	8.2
1026.54358	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	1111.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06603	0.1
157.46657	0.1
268.86298	0.1
339.23373	0.1
339.26956	0.2
407.33435	0.1
409.31265	0.1
437.12915	0.1
438.13229	0.5
439.13800	0.1
451.32101	0.7
452.15137	0.4
453.15549	0.1
466.13135	0.2
467.13278	0.1
469.33228	72.4
470.33572	9.4
480.13736	0.4
481.15231	7.0
482.15662	1.6
494.15729	0.1
495.16724	2.9
496.17010	0.6
497.18323	0.2
514.15051	0.4
523.16339	0.1
525.13904	0.3
539.15509	0.4
540.16449	3.0
541.16418	0.7
553.17694	0.2
554.18054	0.6
555.18951	4.0
556.19391	0.6
567.19067	0.1
569.20825	0.1
572.15594	7.1
573.15875	1.4
586.17145	1.4
587.16907	0.4
609.20197	0.3
641.22681	6.9
642.23065	1.4
1066.98474	0.1
1079.54834	0.1
1111.56836	100.0
1112.57031	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	3.7
82.63137	0.6
83.01400	22.7
83.05032	1.4
85.02966	28.4
86.00094	1.9
87.00378	1.0
87.00888	13.9
89.02448	8.5
90.97028	0.7
93.03461	1.3
95.01402	6.4
97.02970	11.6
99.00896	10.4
99.04518	1.1
101.02460	32.5
103.04025	2.7
109.02963	2.5
111.00899	2.1
111.04579	0.7
112.01676	1.8
113.02468	33.7
114.02846	0.6
115.04022	1.7
117.03471	0.8
118.62437	0.6
119.03536	2.0
119.05027	1.3
121.02930	0.8
123.00928	1.0
123.04533	1.2
123.08189	0.6
124.01680	1.7
125.02467	23.5
126.02837	0.8
127.04018	2.1
129.01929	1.0
131.03558	3.4
134.03740	1.1
135.04549	1.5
137.02451	1.9
139.03987	0.8
141.01958	1.1
142.02678	0.7
143.03528	14.8
145.02968	1.3
145.05099	1.9
147.04620	0.8
149.02473	1.5
151.04054	1.0
155.03514	1.3
159.03015	3.3
161.02458	1.1
161.04588	9.7
163.04066	0.9
163.06134	2.5
164.92047	0.5
165.05586	1.1
167.03520	2.4
177.01999	0.5
179.03470	1.5
185.04620	1.0
193.05009	0.7
205.07199	1.1
209.04497	1.0
210.15727	0.5
211.07686	1.1
233.04547	0.7
233.06638	3.3
246.38869	0.5
251.05623	0.9
251.77632	0.6
289.09293	2.8
327.23340	0.8
329.24860	2.1
349.11469	1.8
423.32617	1.6
453.33981	3.3
469.32962	0.9
500.66925	0.6
504.04724	0.6
567.36774	4.7
568.37097	0.7
597.37988	1.0
615.39038	0.6
633.40082	3.9
741.42480	1.3
759.43945	3.7
760.43860	1.1
761.45447	1.9
777.44666	15.5
778.45264	2.7
779.46149	43.6
780.46429	7.3
795.45935	2.3
821.46826	5.7
822.47186	1.3
837.46259	4.4
845.47461	3.0
846.48590	0.8
859.49103	1.2
869.04675	0.6
887.47980	5.6
888.48499	1.2
893.49854	1.2
894.50183	1.0
905.49231	11.8
906.49066	3.0
923.50427	69.0
924.50732	16.4
941.51685	37.2
942.51764	9.7
953.53766	0.7
965.51709	12.9
966.52399	3.8
983.52594	100.0
984.52881	24.1
1025.53027	5.4
1026.53296	1.7
1040.54321	0.8
1069.53259	0.7
1075.54858	1.3
1076.55334	1.1
1077.54578	1.3
1113.55847	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	1109.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	2.4
85.02959	10.0
86.00094	1.0
86.03316	0.1
87.00885	5.5
88.69821	0.1
89.02454	18.0
90.02770	0.2
95.01398	2.5
97.02959	0.7
99.00896	1.8
101.02457	22.2
102.02797	0.2
103.04061	0.2
107.03489	0.1
109.02959	0.1
111.00884	0.4
112.01686	0.1
113.02464	13.4
114.02796	0.3
115.04029	0.2
119.03518	7.4
125.02454	0.8
127.04007	0.2
129.01944	0.4
131.03523	11.6
134.03729	0.1
139.00395	0.1
142.06679	0.1
143.03526	2.3
145.05109	0.1
149.04599	0.7
150.03177	0.1
151.04066	0.1
159.03006	1.5
161.04578	10.1
162.04890	0.2
179.05629	15.7
180.05956	0.3
205.03517	0.1
216.35413	0.1
221.06670	14.2
222.07011	0.3
249.52518	0.1
263.07706	11.8
264.08121	0.5
280.79352	0.1
323.09854	0.7
329.25027	0.2
341.10815	0.4
342.81470	0.1
382.82480	0.1
461.29047	1.0
471.35510	0.1
479.30557	0.5
491.20236	0.1
505.28217	0.1
523.29230	0.2
607.34863	2.7
608.35498	0.2
625.36322	0.3
641.35248	0.5
767.46301	0.4
769.39392	0.1
787.41498	6.3
788.41742	0.6
803.40955	0.6
929.50653	0.1
949.46863	100.0
950.47174	12.9
1091.56616	1.1
1092.57178	0.2
1109.57764	3.4
1110.58801	0.5
1118.38647	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
50.16297	1.3
52.06034	1.4
55.01881	31.7
56.82008	1.7
58.54670	1.3
67.01892	23.0
70.14117	3.3
70.14524	4.6
71.01385	5.2
78.95920	13.7
83.01399	100.0
83.05042	1.4
84.01733	3.6
98.20274	3.2
99.00910	2.1
110.97605	6.4
111.00902	71.7
112.01227	4.6
112.04099	1.6
122.09949	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	1109.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	2.1
85.02966	9.4
86.00105	1.0
87.00385	0.4
87.00893	6.4
87.04549	0.3
89.02460	8.7
93.03480	0.3
95.01393	2.0
97.02968	0.9
97.06615	0.3
99.00878	1.9
101.02465	15.5
101.42861	0.3
102.02796	0.5
103.04003	0.4
111.00886	0.5
113.02471	11.0
114.02819	0.2
115.04050	0.2
116.92889	0.3
119.03517	3.2
119.05046	0.5
121.03018	0.2
122.03728	0.3
123.04556	0.4
125.02474	0.9
129.01994	0.6
131.03532	8.6
133.02998	1.0
134.03839	0.4
135.04509	0.4
142.06673	0.7
143.03511	0.9
145.02972	0.4
149.02409	0.3
149.04507	0.2
150.03316	0.5
159.03027	1.8
160.01678	0.5
161.02576	1.7
161.04591	8.7
162.04930	0.3
163.04002	0.5
164.04807	0.2
165.05591	0.6
165.47180	0.2
175.04010	0.6
177.01912	0.2
179.03415	0.3
179.03973	0.3
179.05627	3.4
186.05571	0.4
190.02827	0.3
193.05110	0.3
204.06673	0.3
205.03532	0.4
205.05229	0.5
205.07133	0.3
221.06673	8.6
222.06937	0.3
228.39316	0.3
263.07755	1.0
285.04004	0.4
365.28595	0.2
651.28961	0.4
767.46625	0.5
875.28027	0.3
947.52722	0.9
985.70935	0.2
1109.57910	100.0
1110.58191	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	1107.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	2.7
84.02151	0.3
85.02960	12.3
85.79075	0.2
86.00111	1.4
86.03313	0.3
87.00887	8.1
87.04528	0.5
88.98821	2.9
89.02453	19.5
93.03465	0.3
95.01398	2.3
97.02969	0.7
99.00891	2.1
99.04543	0.2
101.02457	22.7
102.02822	0.4
103.04029	0.8
109.02996	0.2
111.00903	0.4
112.01711	0.2
113.02464	14.5
113.67078	0.2
113.97427	0.2
114.02811	0.3
115.00391	0.2
115.04044	0.5
117.03493	1.3
119.03518	7.1
119.04938	1.3
121.02972	0.3
125.02471	1.2
129.01952	0.8
131.03520	11.7
133.02980	0.6
134.03667	0.2
135.04588	0.8
137.02489	0.3
143.03522	3.4
145.02975	1.5
149.04575	1.2
150.03117	0.2
159.03021	1.6
159.11877	0.2
160.01675	0.3
161.02580	1.9
161.04579	13.5
162.04976	0.4
163.04057	0.9
165.05566	0.4
175.02571	0.3
175.04034	0.5
177.01988	0.2
179.03676	0.4
179.05623	10.3
180.05974	0.2
192.10002	0.2
193.05093	0.2
195.06613	0.3
204.06688	0.3
205.03532	0.5
205.07193	0.4
221.06670	16.1
222.06984	0.4
223.08051	0.2
263.04871	0.3
263.07700	5.3
264.08170	0.2
267.63947	0.2
306.07678	0.2
316.53775	0.2
323.09848	0.2
341.11038	0.3
383.25623	0.2
455.31778	0.4
467.32010	0.2
487.34409	2.1
488.34564	0.3
601.38147	0.2
619.38605	1.3
620.39148	0.3
765.44727	2.1
766.45001	0.6
803.40570	0.3
945.51575	2.7
946.51782	0.5
947.46252	1.3
961.51111	0.4
965.27069	0.3
965.46283	3.7
966.46869	0.7
1089.55676	0.4
1107.56287	100.0
1108.56592	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.563
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	0.3
83.01402	3.1
84.02191	0.2
85.02963	12.3
86.00105	1.4
86.03299	0.2
87.00890	7.5
87.04523	0.6
88.98814	2.4
89.02459	20.2
90.02795	0.2
95.01408	3.1
96.01742	0.2
97.02954	0.6
99.00906	2.0
99.04544	0.2
101.02461	22.9
102.02815	0.3
103.04028	0.6
111.00883	0.3
113.02471	17.1
114.02824	0.3
115.00394	0.2
115.04027	0.4
117.03532	0.8
119.03524	7.7
119.04929	1.0
121.02978	0.2
125.02460	1.1
129.01953	0.6
131.03529	12.2
132.03894	0.2
133.03008	0.4
134.03752	0.4
135.04572	0.9
137.02454	0.1
142.06616	0.2
143.03526	3.2
145.02982	1.1
147.04489	0.1
149.02568	0.2
149.04593	1.2
149.06108	0.2
150.03271	0.2
159.03026	1.9
160.01721	0.3
161.02597	1.6
161.04582	13.3
162.04927	0.4
163.04018	0.7
163.06160	0.4
165.05582	0.3
175.02568	0.3
175.04008	0.3
179.03687	0.4
179.05635	9.8
180.05962	0.2
193.05089	0.3
195.06696	0.2
204.06673	0.2
205.03510	0.4
205.05246	0.2
205.07108	0.4
221.06680	16.8
222.07051	0.4
257.47308	0.1
263.07706	5.1
264.08347	0.2
267.12000	0.2
294.22675	0.1
306.07532	0.2
323.09879	0.4
341.10999	0.2
439.32275	0.2
455.31754	0.5
467.31766	0.2
487.34567	1.9
488.34439	0.3
531.32971	0.2
619.38586	1.7
620.38788	0.3
765.44708	2.1
766.45453	0.3
945.51611	2.9
946.50482	0.7
947.47083	1.2
961.51642	0.6
965.46393	3.2
966.46759	0.7
1047.56409	0.2
1089.55493	0.2
1107.56323	100.0
1108.56616	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	1107.563
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	0.2
83.01391	2.8
83.05044	0.1
84.02178	0.1
85.02961	12.8
86.00102	1.4
86.03306	0.2
87.00886	7.9
87.04528	0.4
88.01234	0.1
89.02455	20.3
90.02779	0.2
95.01404	2.9
97.02965	0.7
99.00899	2.1
99.04523	0.2
101.02457	24.4
102.02806	0.3
103.04029	0.8
107.65132	0.1
111.00898	0.4
112.01681	0.1
113.02468	16.3
114.02800	0.4
115.00381	0.1
115.04025	0.4
119.03521	7.2
120.03861	0.1
121.03008	0.1
125.02461	0.8
127.04037	0.1
129.02010	0.7
131.03525	12.4
132.03864	0.2
133.02980	0.1
137.02502	0.1
137.19565	0.1
137.46625	0.1
139.00375	0.1
143.03522	3.3
145.05040	0.1
149.04575	1.1
150.03192	0.1
159.03008	2.0
160.01703	0.1
161.04581	14.8
162.04887	0.4
163.06114	0.3
165.05650	0.1
175.03996	0.2
176.54337	0.1
179.05630	10.7
180.05899	0.2
205.03520	0.3
205.07190	0.4
209.11755	0.2
221.06679	16.9
222.06998	0.4
263.07715	5.3
264.08136	0.2
323.09842	0.3
341.10938	0.1
367.26584	0.1
371.26337	0.1
411.89691	0.1
439.32452	0.1
453.30081	0.2
455.31870	0.5
467.31644	0.2
485.33041	0.1
487.34500	2.0
488.34900	0.2
531.32764	0.2
601.37103	0.1
619.38574	1.8
620.39063	0.3
647.42554	0.1
765.44708	2.7
766.45001	0.4
915.13617	0.1
945.51062	3.8
946.51343	0.7
961.50385	0.8
962.51385	0.1
965.45166	0.1
968.49860	0.1
1107.56213	100.0
1108.56482	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03477	0.1
83.01395	2.9
85.02958	11.9
86.00100	1.2
86.03323	0.1
87.00886	7.7
87.04499	0.4
89.02453	19.7
90.02792	0.2
95.01398	2.8
95.01991	0.2
97.02959	0.7
98.20734	0.2
99.00888	2.1
99.04543	0.2
101.02456	23.6
102.02806	0.4
103.04031	0.6
107.03529	0.1
111.00912	0.4
113.02465	15.5
114.02803	0.3
115.04012	0.4
119.03518	7.1
120.03880	0.1
125.02463	0.8
127.04066	0.1
127.57985	0.1
129.01952	0.6
131.03522	11.9
132.03851	0.2
135.66248	0.1
139.00307	0.1
143.03526	3.0
145.05066	0.1
149.04570	1.1
159.03027	1.8
161.04578	13.0
161.76825	0.1
162.04976	0.4
163.06165	0.3
175.02470	0.1
179.05627	10.6
180.06017	0.2
193.04947	0.1
205.03549	0.2
205.07118	0.4
209.11761	0.2
214.17804	0.1
221.06668	16.1
222.07028	0.4
229.65982	0.1
263.07690	5.6
264.08124	0.3
323.09854	0.4
332.03241	0.1
341.11157	0.2
365.24649	0.1
367.26483	0.1
379.26297	0.1
399.28824	0.1
439.32004	0.2
455.31503	0.6
467.31561	0.1
487.34457	1.7
488.34747	0.3
531.33142	0.2
619.38574	1.5
620.39056	0.2
644.44037	0.1
765.44617	2.8
766.45068	0.4
902.25616	0.1
927.49213	0.1
945.50977	3.8
946.51025	0.7
961.49908	0.9
962.49292	0.2
965.46179	0.1
970.42371	0.1
1107.56177	100.0
1108.56494	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	1107.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.3
83.01398	2.9
85.02962	12.0
86.00105	1.0
86.03303	0.3
87.00885	7.1
87.04530	0.3
88.98806	0.8
89.02458	17.8
90.02811	0.2
93.03504	0.2
95.01405	2.6
97.02963	0.7
99.00901	2.7
99.04543	0.3
101.02461	19.8
102.02779	0.4
103.04032	0.3
109.03028	0.2
111.00895	0.5
113.02471	15.5
114.02782	0.5
115.00410	0.9
115.04011	0.4
119.03526	5.8
119.04937	0.4
121.02959	0.4
124.01758	0.2
125.02478	1.0
127.04085	0.2
129.01958	0.7
131.03529	10.9
133.02957	0.6
134.03726	0.5
135.04507	0.5
137.02469	0.3
139.00366	0.2
142.06659	0.4
143.03511	2.9
145.02975	0.4
149.02483	0.3
149.04579	1.2
150.03220	0.6
151.03946	0.2
159.03021	1.3
160.01672	0.7
161.02617	1.6
161.04587	12.1
162.04955	0.3
163.04085	0.3
165.05534	0.5
167.03531	0.2
175.02486	1.4
175.03996	0.5
179.03760	0.3
179.05629	9.3
180.06013	0.3
181.04994	0.2
193.05057	0.5
195.06621	0.4
204.06610	0.2
205.03459	0.2
205.07140	1.0
209.11865	0.2
221.06673	14.4
222.07031	0.3
228.08806	0.2
232.76463	0.2
238.29808	0.1
251.05673	0.2
263.07727	5.0
264.08136	0.2
323.09692	0.3
367.26678	0.2
439.32022	0.2
453.29761	0.3
455.31702	0.6
467.31583	0.2
487.34583	2.3
488.34744	0.4
619.38678	2.1
620.38715	0.3
639.37146	0.2
640.37598	0.4
641.38202	0.4
765.44763	2.7
766.45233	0.3
801.42975	0.4
802.43420	0.8
803.43347	0.9
945.51898	2.8
946.51239	0.6
961.51270	1.0
1063.50171	0.3
1106.61121	1.3
1107.56445	100.0
1108.56616	26.5
1111.31702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	4.9
84.01764	0.5
85.02966	15.7
86.00136	0.9
86.03355	1.8
87.00880	2.3
89.02459	7.8
89.02977	0.5
90.02850	0.8
95.01468	2.0
97.03009	0.9
99.00964	2.1
101.02462	20.7
102.02786	2.3
103.02931	0.6
103.04102	1.9
109.03055	0.5
112.01751	0.5
113.02480	11.1
114.02841	1.2
115.02995	0.7
119.03587	2.0
119.05125	0.8
125.02547	0.9
129.02031	0.7
131.03537	18.1
132.03871	3.0
133.04031	0.7
136.01741	1.1
143.03603	0.8
145.03056	1.2
151.04076	1.4
161.02455	0.6
161.04662	1.3
163.06184	0.6
182.63004	0.5
191.05734	1.0
196.13217	0.5
250.86603	0.5
256.00543	0.6
317.24979	0.7
318.25684	0.5
473.36447	2.1
474.36877	1.9
544.35962	0.5
604.39551	1.0
605.40234	1.3
606.40265	1.0
749.45142	1.5
750.45636	3.2
751.45917	8.7
752.46649	4.2
795.44543	0.8
894.48785	0.8
895.50342	3.3
896.50751	2.3
911.50708	5.0
912.51080	11.8
913.51300	41.3
914.51672	39.4
915.52124	1.9
939.50061	0.9
999.51776	1.4
1043.54578	7.8
1044.55005	7.0
1045.55469	47.5
1046.55920	100.0
1047.56250	6.4
1105.55188	1.0
1106.54297	58.8
1107.54272	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	1106.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01098	2.5
83.01675	2.5
85.02663	6.3
85.03251	6.4
86.03093	1.0
86.03516	0.7
87.00657	1.0
87.01113	1.3
89.02144	3.3
89.02785	3.3
89.97102	0.6
94.74587	0.7
95.01184	1.1
95.01657	0.9
97.02759	0.7
97.03255	0.8
98.20728	1.6
99.00646	1.5
99.01205	1.2
101.02115	11.3
101.02871	7.5
102.02468	1.9
102.03204	1.2
103.02576	0.7
105.16962	0.6
106.50695	0.6
113.02097	4.8
113.02985	2.9
114.02492	1.6
114.03170	0.7
119.03220	0.9
131.03105	9.7
131.04227	4.3
132.03441	2.1
133.03581	1.3
133.04462	0.8
161.04166	1.0
191.05209	1.4
209.11380	0.8
230.23169	0.8
349.65201	0.7
374.39227	0.7
512.11603	0.9
514.34528	0.8
586.48425	0.7
604.38763	1.5
605.39069	1.4
714.57251	0.8
749.45093	1.8
750.45496	3.8
751.45862	7.3
752.45966	5.2
894.48615	1.2
895.50067	1.9
896.50146	2.8
911.50372	8.2
912.50684	14.0
913.50928	29.1
914.51288	44.3
915.51202	2.8
916.40674	0.8
977.70789	0.9
1043.54541	10.4
1044.55151	7.8
1045.55164	27.7
1046.55432	100.0
1047.55640	8.9
1106.54224	94.0
1107.54504	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7388
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03501	0.1
96.96042	0.3
114.83376	0.1
115.95277	0.1
116.92863	0.1
117.03492	9.0
118.03871	0.2
118.05097	0.1
119.05051	7.4
120.05417	0.2
121.02950	0.7
123.04575	0.2
125.02467	0.2
133.02974	0.3
145.02982	23.5
146.03322	0.9
162.03198	0.2
163.04041	3.9
164.04402	0.1
175.02553	0.2
197.81778	0.1
211.13420	0.4
248.10004	0.1
257.68201	0.1
265.14828	0.2
277.21741	0.3
367.03757	0.1
397.13510	0.1
407.33133	0.2
439.32245	0.6
469.33319	1.5
470.33344	0.3
471.34866	8.5
472.35190	1.2
513.32379	0.6
571.38208	0.2
587.37115	0.2
589.38995	1.9
590.39301	0.4
603.36920	0.5
615.37036	0.3
633.38116	100.0
634.38452	15.1
634.49451	0.3
635.38422	0.6
657.35376	0.2
869.50079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	4.5
85.02959	13.6
86.00117	0.9
87.00883	2.3
89.02455	8.0
95.01382	2.3
97.02957	1.6
99.00895	1.9
101.02460	18.8
103.04011	1.6
112.01685	0.8
113.02472	8.5
117.03487	1.7
119.03519	1.6
119.05038	3.3
121.02959	1.9
123.43429	0.6
125.02455	0.6
131.03519	21.7
132.02170	1.6
132.03902	0.7
134.03758	12.6
140.61984	0.5
143.03502	0.8
145.02971	4.5
147.04544	0.6
147.08205	0.6
149.04619	0.6
149.06073	0.9
157.36938	0.5
160.01683	6.9
161.02344	0.8
161.04510	1.1
163.03969	2.1
175.04004	6.1
178.02684	1.1
179.05614	0.7
184.28943	0.6
191.05644	1.6
193.05087	6.7
203.04999	0.6
209.04454	0.9
209.11650	0.7
211.07591	2.2
327.23270	3.6
329.24832	3.8
347.25879	0.8
357.28046	1.4
367.10440	0.7
369.27963	0.7
373.23969	0.9
435.32578	1.7
437.34265	2.2
455.35156	3.0
456.35349	0.7
461.29111	1.0
479.30701	0.9
587.39435	1.9
625.35974	1.9
733.45117	3.4
751.46423	2.4
780.93341	0.6
787.40948	2.8
788.41058	0.7
895.50793	10.6
896.50494	1.7
912.50226	1.3
913.51843	40.4
914.52057	6.7
919.45880	5.5
920.45929	1.3
1027.54309	4.1
1044.54968	1.2
1045.56091	100.0
1046.56531	28.9
1105.56079	21.1
1106.56384	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	1103.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	0.3
83.01395	4.4
85.02959	11.6
86.00059	0.7
86.03328	0.3
87.00879	2.0
87.04514	0.2
89.02454	4.8
95.01401	1.6
97.02962	1.2
99.00903	2.2
101.02457	16.7
103.03956	0.2
109.02920	0.3
111.00858	0.4
112.01632	0.6
113.02465	9.3
115.39230	0.2
116.92835	0.2
117.03432	0.3
119.03538	1.0
119.05035	0.3
121.02908	0.2
123.04491	0.2
125.02460	1.1
127.04037	0.4
131.03520	14.0
132.02141	0.3
132.03761	0.2
134.03773	2.7
135.04480	0.3
143.03444	0.7
145.02890	0.5
149.04486	0.5
149.06065	0.3
159.02951	0.7
160.01683	1.3
161.04567	1.6
167.72844	0.2
175.04028	1.0
178.02625	0.4
190.52609	0.2
191.05621	1.0
191.32236	0.2
193.05067	1.9
210.06833	0.2
211.07666	1.5
225.43988	0.2
230.27121	0.2
232.02991	0.2
233.06528	0.3
247.88474	0.2
307.38458	0.2
327.23193	0.7
329.24634	0.7
347.25723	0.2
373.23782	0.4
423.32468	0.9
425.34375	0.3
453.33804	0.9
457.86374	0.2
547.19757	0.2
567.36438	0.3
582.57251	0.2
591.23517	0.2
603.38898	1.9
604.39697	0.3
615.35419	0.2
749.45276	5.4
750.44977	0.9
765.44476	1.3
893.49304	2.8
894.50836	0.4
897.48358	1.1
898.48938	0.2
911.50391	44.4
912.50720	8.3
941.40204	0.3
1043.54578	100.0
1044.54846	25.1
1073.55750	0.2
1103.57996	4.5
1104.57361	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	1103.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
79.48552	0.1
81.03479	0.2
83.01393	4.1
83.05032	0.1
85.02958	13.9
86.00097	0.8
86.03294	0.3
87.00883	1.5
87.58263	0.1
89.02452	6.9
95.01383	1.3
97.02956	0.9
99.00896	1.6
101.02457	18.3
102.02795	0.3
103.04018	1.3
105.48722	0.1
109.02965	0.2
112.01670	0.6
113.02461	8.5
114.02843	0.1
119.03510	1.8
123.08183	0.3
125.02470	0.7
127.04027	0.4
129.01981	0.1
131.03522	18.4
132.03879	0.4
134.24617	0.1
137.02484	0.1
140.49167	0.1
143.02507	0.1
143.03503	0.7
145.02930	0.2
145.05075	0.2
149.04590	0.7
159.02980	0.3
161.04552	1.1
163.06133	0.2
179.05629	0.3
191.05659	1.1
211.28448	0.1
230.61795	0.1
233.06699	0.6
259.08069	0.1
288.93597	0.2
315.23410	0.1
327.23343	0.8
329.24835	0.8
347.25919	0.4
373.23694	0.2
408.95813	0.1
423.32828	0.8
424.33282	0.1
425.34116	0.2
433.31046	0.2
435.32938	0.4
453.33752	1.2
454.34311	0.3
469.33105	0.2
541.35345	0.3
555.37347	0.2
567.36920	0.6
603.39136	2.2
604.39313	0.3
647.38275	0.3
687.40094	0.1
749.45056	9.0
750.45673	1.6
765.44977	0.4
893.49377	4.2
894.49860	0.9
897.48785	0.4
911.50360	58.9
912.50677	12.1
1043.54541	100.0
1044.54834	25.6
1103.55347	0.3
1104.55774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.589
Annotation	Unknow
Peak:m/z	Relative Intensity
78.29279	0.3
78.51381	0.3
81.03461	1.0
83.01411	1.7
83.05017	0.7
85.02961	22.2
86.00123	0.8
87.00886	3.4
87.04519	1.1
89.02467	2.7
95.01392	0.8
97.02973	1.4
99.00889	1.3
99.04546	1.5
101.02459	11.3
103.04046	1.5
109.02985	1.0
109.25044	0.4
111.00896	2.0
113.02479	2.6
115.04030	1.2
119.03529	0.8
119.05067	0.6
123.08212	0.9
125.02465	1.5
127.04011	2.7
131.03522	8.1
133.03012	0.5
134.03752	0.5
143.03525	1.6
145.03020	0.8
145.05084	1.7
149.02490	0.8
149.06082	0.3
150.03261	0.7
151.73656	0.3
160.01624	0.4
161.02419	1.0
161.04604	0.4
161.06036	0.3
163.04088	0.4
165.05577	0.9
175.03989	0.7
179.03545	0.4
193.05045	0.6
205.05118	0.3
205.07149	0.9
219.13882	0.6
231.03067	0.4
231.08658	0.4
247.08299	1.6
291.10880	0.9
299.23648	0.4
317.24841	1.7
327.23276	0.4
329.14383	0.4
371.25784	0.6
389.26910	0.7
417.88144	0.4
423.32776	0.4
457.11014	0.4
471.34735	0.4
502.04294	0.3
503.29572	0.4
603.38721	1.0
622.54401	0.4
749.45667	1.1
755.42267	3.3
756.42389	0.4
765.45032	2.5
766.44916	0.4
843.43536	0.4
895.50610	2.8
896.51074	0.5
909.49475	2.3
927.50415	1.2
945.52307	0.7
969.51440	1.0
1039.50989	0.5
1041.56641	100.0
1042.56860	28.1
1057.52271	1.4
1059.54846	1.8
1060.55737	0.7
1101.57800	2.6
1102.55200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
77.71840	0.1
82.14759	0.1
86.09135	0.1
86.30447	0.1
104.08495	0.1
108.12735	0.1
111.80158	0.1
212.97902	0.1
229.84238	0.1
437.12158	0.3
438.13147	0.6
439.13669	0.2
449.15897	0.1
450.13269	0.2
451.14221	0.7
452.14911	2.1
453.15182	0.6
453.33493	0.2
454.14676	0.2
465.11050	0.2
465.17041	0.5
466.16772	0.8
467.17072	0.4
469.11566	0.2
469.33539	0.2
470.16772	0.1
471.34946	1.1
472.35339	0.5
475.14047	0.2
476.14407	0.1
478.12732	0.1
479.18231	0.8
480.14404	0.6
481.15045	7.1
482.15402	1.7
483.15021	0.6
484.14029	0.6
489.15668	0.1
492.14114	0.2
493.15378	1.8
494.15845	0.9
495.16757	12.2
496.17047	3.3
497.16931	1.4
498.15793	0.4
502.15402	0.2
507.16177	1.0
508.17920	1.8
509.18558	1.3
510.18326	0.2
511.16791	0.2
512.13153	1.2
513.13715	0.4
514.13849	0.2
518.16064	0.2
519.16339	0.3
520.16443	0.1
521.14374	0.7
522.14746	0.5
523.16028	0.6
523.20172	0.6
524.17157	0.3
525.15387	0.3
526.14764	1.0
527.14996	0.3
528.15967	0.2
530.14679	0.4
533.18390	0.6
534.18829	0.2
535.16266	1.9
536.16925	2.9
537.17090	0.7
538.16382	0.3
539.15887	0.5
540.16840	3.1
541.17017	0.8
542.16095	0.3
544.15991	0.2
549.17932	0.1
550.16479	0.1
551.19348	41.9
552.19611	11.9
553.19385	4.7
554.18768	2.4
555.18994	1.5
556.19116	0.5
557.18811	0.1
567.18823	0.6
568.15863	0.8
572.15631	3.4
573.16022	0.8
574.15979	0.4
583.22125	0.5
584.21167	0.2
586.17133	3.8
587.17340	1.2
588.17505	0.4
595.18323	1.6
596.18402	0.6
597.17798	0.1
600.18451	0.3
627.21118	100.0
628.21405	29.4
629.21271	11.9
630.21387	1.6
1099.56616	2.5
1100.57068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	3.2
85.02961	12.8
87.00918	2.2
87.04516	0.4
89.02457	15.1
95.01405	1.7
96.96073	0.4
97.02961	0.6
99.00907	1.7
99.04549	0.4
100.48822	0.3
101.02462	13.6
101.38927	0.3
111.00902	1.5
113.02470	10.8
114.02794	0.5
115.04029	0.7
117.03460	0.5
119.03509	2.5
119.05029	1.8
121.02947	0.9
125.02474	0.9
127.04070	0.5
129.69133	0.3
131.03529	11.1
134.03738	0.7
135.00699	0.3
142.06686	0.4
143.03531	1.2
145.03000	1.0
147.04552	0.6
149.04570	2.2
159.03035	0.4
160.01651	0.7
161.02457	0.5
161.04587	1.2
163.04047	0.7
163.06219	0.7
165.05580	1.2
175.04076	0.4
179.05655	0.3
186.78011	0.3
191.05615	1.6
193.05096	0.6
205.07169	0.7
233.06685	0.5
331.98499	0.3
453.30014	0.4
455.31668	3.0
456.31970	0.6
467.31631	1.2
469.33896	0.4
485.33258	0.5
487.29691	0.5
487.35309	0.7
506.36166	0.3
507.03250	0.3
531.33319	1.2
619.38641	5.3
619.47864	0.6
620.38843	0.8
708.34216	0.3
765.44757	5.7
766.44159	0.6
781.43884	1.4
909.49194	2.9
913.48132	0.7
927.49878	37.4
928.50348	7.0
1052.94507	0.4
1059.54065	63.8
1060.54456	14.9
1095.51880	100.0
1096.52124	25.9
1096.76697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	5.1
84.02179	0.4
85.02960	17.7
86.00112	1.9
86.03315	0.4
87.00884	12.2
87.04546	0.4
89.02456	42.0
90.02802	0.4
93.03491	0.5
95.01400	5.1
97.02943	1.4
99.00898	3.0
101.02457	41.3
102.02799	0.7
103.00407	0.3
107.03488	0.3
107.05097	0.2
111.00903	1.0
113.02468	27.4
114.02834	0.4
115.04021	0.3
115.98381	0.3
116.92884	0.3
117.03471	4.8
119.03527	17.8
119.05022	10.2
120.03864	0.3
120.05387	0.4
121.02972	1.0
123.04524	0.4
125.02479	3.4
127.04028	0.4
129.01917	0.7
131.03523	16.0
132.02202	0.9
133.01476	0.3
133.02937	0.7
133.06631	0.3
134.03749	2.4
135.04514	0.8
136.01608	0.3
139.00372	0.4
141.84975	0.3
143.03526	7.7
145.02972	15.8
146.03308	0.5
149.04570	2.3
149.06119	0.3
151.00438	0.6
156.98206	0.2
158.46838	0.2
159.03003	2.4
159.04285	0.3
160.01683	3.0
161.02655	1.9
161.04585	23.6
162.04872	0.5
163.04024	8.9
164.04523	0.5
165.01891	0.3
167.03441	0.3
167.10753	0.4
175.02614	0.4
175.04010	2.1
177.01820	0.3
177.05537	0.5
179.05630	72.0
180.05971	1.5
193.05080	1.8
205.05063	1.1
209.11815	0.7
210.34283	0.3
221.06674	25.7
222.06975	0.7
235.06171	0.5
263.07712	11.6
264.08124	0.5
265.07062	1.2
267.06601	0.2
281.08820	0.4
295.27557	0.3
305.08850	3.6
323.09909	2.2
325.09265	0.3
341.10834	0.7
367.10388	2.8
383.29395	0.4
401.12943	1.7
417.17572	1.6
418.18076	0.4
471.34750	1.9
472.34637	0.4
485.15137	0.6
503.16327	0.5
603.38770	0.8
749.45135	2.3
750.45959	0.3
843.44214	1.3
885.45453	0.7
911.50885	0.5
929.51593	3.4
930.51672	0.5
931.47363	7.4
932.47125	1.6
949.47412	0.8
953.44537	0.9
958.53076	0.3
959.51520	0.6
965.47046	1.4
966.46851	0.4
1047.50598	1.7
1073.56104	5.4
1074.56445	2.0
1091.56775	100.0
1092.57043	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
78.93853	0.2
81.03443	0.3
83.01391	3.8
84.01729	0.2
84.02172	0.4
85.02961	17.1
86.00114	1.4
86.03316	0.2
87.00888	9.9
87.04527	0.5
88.98812	0.7
89.02454	29.6
90.02782	0.3
93.03483	0.3
95.01404	3.6
97.02969	1.0
99.00893	3.3
99.04499	0.5
101.02457	31.4
102.02771	0.3
103.04004	0.5
108.02190	0.2
109.02966	0.3
111.00885	0.5
113.02470	22.0
114.02809	0.5
115.04032	0.8
117.03487	1.8
119.03520	10.1
119.04985	2.5
120.05359	0.4
121.02964	1.8
123.04507	0.2
125.02470	1.4
126.10509	0.2
127.04027	0.4
129.01971	1.0
131.03526	16.0
132.02173	0.8
132.03831	0.3
133.01462	0.3
133.02979	5.2
134.03789	1.5
135.04549	8.7
137.02472	0.2
137.08528	0.2
141.02045	0.2
143.03531	4.5
143.04576	0.2
145.02974	3.1
145.05055	0.4
146.03307	0.2
149.04573	1.9
159.03036	2.1
160.01657	0.3
161.02460	11.6
161.04576	18.2
162.02705	0.4
162.04941	0.3
163.04041	1.6
164.04294	0.3
165.01988	0.2
175.04060	0.4
176.04564	0.2
177.09334	0.2
179.03540	3.2
179.05630	28.9
180.04236	0.3
180.05988	0.7
193.05095	0.4
205.03500	0.3
205.07178	1.7
211.07643	0.5
221.06676	28.8
222.07025	0.7
229.81102	0.3
263.07715	21.0
264.08047	0.9
276.59686	0.2
295.01910	0.2
297.22369	0.3
313.21783	0.6
323.09750	1.5
325.21420	0.3
341.11014	0.7
345.24365	0.4
389.23404	0.3
421.31387	0.3
426.25601	0.2
439.32227	0.6
453.33746	0.5
477.28696	0.6
585.38080	0.3
603.38977	2.3
749.45184	12.1
750.45416	2.5
803.39526	0.3
848.56586	0.2
911.50378	0.3
927.49323	0.3
929.51355	2.6
930.50250	0.5
945.51569	0.7
965.46570	3.3
966.47748	0.7
1073.56006	4.3
1074.56580	1.4
1075.57227	0.5
1077.57874	0.2
1091.56616	100.0
1092.56897	26.3
1106.56787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.2
83.01396	3.9
84.02173	0.3
85.02961	15.1
85.17584	0.1
86.00108	1.7
86.03293	0.2
87.00885	8.8
87.04517	0.3
89.02455	24.9
90.02797	0.2
95.01401	3.7
97.02960	0.9
99.00893	3.3
99.04518	0.2
101.02458	31.2
102.02770	0.5
103.04025	0.4
107.03531	0.1
109.02990	0.1
111.00915	0.6
112.01675	0.2
113.02469	20.5
114.02791	0.4
115.04021	0.3
116.92864	0.2
117.03480	0.2
119.03521	9.4
119.04977	0.4
120.03909	0.1
121.03003	0.2
125.02470	0.8
127.03971	0.1
129.01974	0.7
131.03526	15.3
132.03868	0.2
133.02966	0.3
134.03743	0.2
135.04517	0.2
137.02443	0.1
139.00380	0.2
141.01910	0.2
143.03526	3.6
145.02994	0.4
145.05086	0.1
149.04587	0.9
150.03252	0.1
159.03021	2.3
160.01669	0.2
161.02426	0.7
161.04579	16.8
162.04930	0.3
163.04016	0.3
165.05562	0.1
175.02563	0.1
175.04059	0.1
179.05635	18.4
179.90747	0.1
180.05968	0.5
205.03503	0.4
221.06674	21.7
222.07037	0.6
263.07718	11.5
264.08084	0.3
264.29779	0.1
306.07614	0.1
323.09851	0.7
341.10953	0.5
383.29431	0.4
395.29404	0.1
401.30194	0.1
469.32999	0.2
471.34799	3.4
472.35367	0.4
472.41287	0.1
541.35443	0.1
567.36902	0.2
585.37628	0.1
603.38989	1.3
604.39514	0.1
741.29102	0.1
749.45135	2.1
750.45270	0.4
765.44208	0.1
787.41473	0.2
829.42548	0.4
897.41998	0.2
911.50409	1.2
929.51501	4.2
930.51331	0.7
933.45636	0.1
945.51300	1.1
946.51233	0.2
949.46906	2.3
950.47241	0.3
959.51697	0.1
1073.56030	0.3
1091.56787	100.0
1092.57117	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	5.1
85.02959	19.4
86.00097	2.2
86.03300	0.5
87.00884	13.6
87.04523	0.5
87.44099	0.2
88.01258	0.2
89.02452	39.4
90.02785	0.4
95.01401	4.9
97.02946	1.2
99.00890	3.7
101.02454	41.2
102.02827	0.4
103.04010	1.2
107.03531	0.2
111.00912	0.8
113.02463	27.5
114.02817	0.3
115.04036	1.0
117.03492	0.4
119.03518	13.7
125.02450	1.2
129.01999	1.0
131.03525	19.6
132.03839	0.4
143.03523	5.8
145.02995	0.4
145.05176	0.2
149.04547	2.5
159.03003	2.8
160.03218	0.2
160.89247	0.2
161.04578	23.1
162.04906	0.7
163.04065	0.4
163.06142	0.6
175.02379	0.2
176.92088	0.2
179.05626	39.6
180.05956	1.0
193.72366	0.2
205.03557	0.2
205.07222	0.8
217.23062	0.2
221.06667	38.9
222.06992	1.1
263.07700	28.1
264.08008	1.4
297.22226	0.2
310.04410	0.2
313.21713	0.7
314.22479	0.2
323.09854	1.4
325.21729	0.2
327.22983	0.2
341.10934	0.9
343.01172	0.3
345.24295	0.4
360.35529	0.2
367.10724	0.2
439.32053	0.6
453.33945	0.4
461.60599	0.2
471.35150	0.3
477.28812	0.8
495.29535	0.4
514.33899	0.2
585.37872	0.3
603.39526	1.3
657.35065	0.3
749.45160	15.0
750.45343	2.7
803.40887	0.4
911.50781	0.5
929.51538	3.2
930.52386	0.8
939.80963	0.2
945.51715	0.5
965.27209	0.1
965.46368	4.2
966.47504	0.9
1073.33008	0.3
1073.55835	5.1
1074.55908	1.2
1091.56775	100.0
1092.57068	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	1087.7278
Annotation	Unknow
Peak:m/z	Relative Intensity
80.19228	0.1
93.03384	0.1
102.50382	0.1
113.43792	0.1
116.92767	0.1
117.03482	5.0
119.04247	0.2
119.05048	3.6
119.78835	0.1
120.05420	0.1
121.02962	0.4
123.04552	0.2
129.69812	0.1
140.57573	0.1
145.02974	13.6
146.03317	0.5
147.04567	0.2
162.03276	0.1
162.95200	0.1
163.04016	2.4
174.19116	0.1
328.07050	0.1
453.33627	0.8
467.31607	0.1
469.33362	1.0
470.34164	0.1
471.34665	0.3
486.32404	0.1
573.39526	0.5
617.38605	100.0
618.38934	16.6
619.39258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03454	0.3
83.01398	4.5
84.02178	0.3
85.02961	16.5
86.00101	2.0
87.00887	10.6
87.04528	0.2
89.02455	31.3
90.02786	0.3
95.01403	4.2
97.02969	1.0
99.00897	3.3
99.04527	0.2
101.02459	33.7
102.02793	0.4
103.04002	0.5
107.03524	0.2
111.00906	0.6
113.02470	22.2
114.02786	0.3
115.04016	0.3
119.03522	12.1
120.03855	0.1
125.02481	1.0
129.01982	1.0
130.95490	0.1
131.03525	16.0
132.03871	0.3
135.17842	0.1
135.88606	0.1
139.00330	0.2
141.01920	0.1
143.03520	4.6
149.04568	1.2
159.03014	2.8
161.04579	20.9
162.04932	0.5
179.05634	26.2
180.05928	0.4
205.03494	0.3
221.06674	29.7
222.07002	0.7
245.39920	0.1
263.07712	17.1
264.08020	0.7
293.44995	0.1
323.09854	1.0
341.10724	0.6
383.29596	0.2
395.30096	0.1
401.30881	0.1
435.32596	0.1
453.33936	0.1
471.34811	2.7
472.35260	0.3
473.89664	0.1
507.45651	0.1
603.39087	0.9
749.45038	2.9
750.45380	0.3
880.38275	0.1
911.50372	0.1
929.51392	6.0
930.51721	0.9
945.50964	0.3
1091.56799	100.0
1092.57056	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	1085.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00883	0.8
81.03462	2.2
81.03914	0.2
83.01395	14.9
83.05043	0.8
84.01727	0.2
84.02184	0.4
85.02959	39.8
86.00098	2.8
86.03300	0.5
87.00887	7.8
87.04546	0.7
89.02453	12.1
93.03469	0.9
95.01399	4.9
95.05037	0.4
97.02964	5.8
99.00893	4.9
99.04533	1.4
101.02456	44.2
102.02797	0.6
103.04019	4.0
105.03461	0.1
106.39529	0.1
107.05067	0.3
108.02188	0.4
109.02968	2.1
111.00903	2.3
111.04530	0.6
112.01692	1.9
113.02465	34.1
114.02796	0.5
114.03392	0.1
115.04016	0.8
119.01384	0.2
119.03522	2.6
119.05017	0.4
121.02973	0.6
123.00887	0.3
123.04532	0.8
123.08168	0.7
124.01688	0.5
125.02464	6.6
127.04028	2.6
129.02007	0.6
131.03520	40.2
132.03835	0.9
133.02948	0.2
134.03757	0.2
135.04549	0.3
137.02477	1.7
137.06052	0.2
138.21098	0.1
139.04031	0.7
141.01964	0.3
142.02728	0.2
143.03520	6.4
145.02977	0.2
145.05074	0.9
147.04552	0.3
149.02441	0.4
149.04562	1.1
149.06010	0.2
151.04057	0.6
155.03520	1.5
157.05017	0.2
159.03001	0.5
159.04221	0.1
161.02505	0.2
161.04568	3.0
163.03972	0.3
163.06134	1.8
165.01993	0.1
165.05553	0.2
167.03456	0.8
167.07187	0.1
169.05095	0.2
171.54794	0.1
173.04594	0.2
175.04022	0.6
177.05592	0.3
179.03517	0.6
179.05600	0.5
185.04564	0.7
187.06163	0.2
191.05611	1.6
195.06631	0.2
197.04510	0.1
203.05551	0.1
205.07156	0.1
209.04582	0.2
215.05640	1.4
221.04568	0.2
227.05592	0.2
231.08777	0.3
233.06662	1.4
245.06659	0.3
257.06656	0.5
259.08218	2.4
275.07736	1.8
287.07803	0.2
289.09344	1.8
293.08804	0.4
299.23636	0.1
313.21820	0.2
315.23294	0.3
317.24850	4.0
318.25287	0.4
327.23318	0.2
331.10501	0.1
331.22861	0.1
341.24731	0.3
359.25925	0.4
371.25903	1.2
389.26849	1.0
423.32660	0.5
449.29068	0.2
453.33966	0.6
455.31897	0.3
467.32043	0.2
469.33286	0.8
470.33917	0.2
471.34995	0.9
472.35025	0.2
487.34570	0.3
513.35913	0.2
515.33801	0.3
521.31110	0.2
531.33435	0.2
541.35535	0.6
560.46606	0.2
567.37122	1.3
568.37250	0.2
583.36670	0.6
584.37091	0.1
585.38049	0.1
603.39063	6.1
604.39368	0.8
627.40399	0.2
631.38580	0.2
635.39117	0.1
647.38477	1.1
648.39923	0.2
649.39716	0.9
650.40186	0.1
673.39960	0.1
693.40045	0.4
699.41412	0.3
713.43011	0.3
731.44550	0.7
747.43481	1.8
748.43854	0.3
749.45111	100.0
750.45435	15.4
765.44427	1.6
775.42645	0.7
791.45929	0.5
793.43677	0.3
795.45441	1.2
796.46576	0.2
811.44873	0.2
819.44989	0.2
837.46832	0.3
845.47211	3.1
846.48169	0.6
853.46338	0.2
857.47125	1.7
858.47333	0.4
863.48383	0.9
875.47626	0.6
879.47791	0.7
893.49323	57.3
894.49683	10.7
897.48425	0.9
911.50360	51.5
912.50592	8.5
921.48877	1.1
922.49408	0.4
923.50342	0.5
935.50348	2.2
936.50952	0.5
937.44153	0.2
939.49744	3.4
940.50354	0.8
953.51501	10.7
954.52112	2.2
957.50836	0.8
958.51154	0.2
977.51654	0.8
981.50739	1.7
982.51251	0.4
999.52063	3.8
999.72949	0.2
1000.52112	0.9
1007.52582	1.3
1008.52502	0.3
1025.53552	50.6
1026.53735	11.6
1041.53418	0.7
1043.54565	59.8
1044.54736	12.7
1069.52136	0.6
1085.55774	11.1
1086.56067	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	1085.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00887	0.6
76.38115	0.1
81.03475	2.1
83.01399	12.9
83.05068	0.6
84.01736	0.2
84.02187	0.5
85.02964	41.2
86.00113	2.6
86.03299	0.6
87.00890	7.1
87.04527	0.5
89.02459	13.7
90.02815	0.2
92.66578	0.1
93.03468	0.9
95.01409	4.3
95.01994	0.3
97.02970	4.8
99.00898	4.7
99.04525	1.6
101.02461	44.0
102.02798	0.6
103.04034	3.7
105.03473	0.1
107.05066	0.4
109.02970	1.8
111.00913	1.9
111.04524	0.8
112.01689	2.0
113.02472	32.0
114.02808	0.5
115.04029	0.7
119.01412	0.3
119.03528	2.8
119.05010	0.3
121.03006	0.3
123.00907	0.4
123.04539	0.6
123.08177	0.9
124.01661	0.3
125.02469	5.9
127.04047	2.6
129.01982	0.8
131.03528	41.6
132.03854	0.7
135.04498	0.4
137.02475	1.6
139.00449	0.2
139.04041	0.5
143.03537	4.8
145.02948	0.2
145.05090	0.8
147.04533	0.3
147.08215	0.3
148.08926	0.2
149.02493	0.2
149.04582	1.6
151.04019	0.5
155.03503	1.5
159.03018	0.5
161.02513	0.2
161.04582	2.6
163.04008	0.2
163.06158	1.5
164.55127	0.2
165.05597	0.6
167.03523	0.4
173.04582	0.2
175.04016	0.6
177.05652	0.2
179.03465	0.5
179.05663	0.3
181.05037	0.3
185.04601	0.6
191.05675	1.9
197.04608	0.2
203.05553	0.3
205.07150	0.2
209.11850	0.4
209.15491	0.3
215.05664	1.2
217.07275	0.2
231.08694	0.5
233.06635	1.6
245.06726	0.3
257.06744	0.7
259.08228	3.6
260.08362	0.3
275.07764	1.8
293.08908	0.2
313.21753	0.2
315.23398	0.3
327.23337	2.3
329.24887	2.3
330.25156	0.3
347.26019	0.6
348.26144	0.2
373.23877	0.6
383.25931	0.2
423.32727	2.5
424.32993	0.3
425.34323	0.7
433.31210	0.5
435.32541	0.7
453.33771	3.5
454.34048	0.5
469.33243	0.8
471.34503	0.2
477.33826	0.3
513.36139	0.3
537.35596	0.2
538.75427	0.2
541.35400	0.4
555.36926	0.4
567.36975	1.6
568.37268	0.3
603.39130	5.3
604.39282	0.7
627.22949	0.2
635.39575	0.4
645.40186	0.3
647.38330	1.1
693.40259	0.5
699.41699	0.3
731.43915	0.8
747.43469	2.2
748.43604	0.4
749.45160	100.0
750.45496	14.8
751.45490	0.3
765.44824	1.7
775.43024	0.3
791.46027	0.4
819.45123	0.6
845.47302	3.4
846.47723	0.5
857.47351	2.1
858.47339	0.3
863.48529	0.7
875.48700	0.9
877.49127	0.7
879.47974	0.3
893.49377	77.4
894.49707	15.2
895.50043	2.9
897.48529	0.8
898.49500	0.3
911.50409	58.0
912.50781	10.1
912.69336	0.3
913.50946	0.5
923.50189	0.6
935.50317	2.3
936.50494	0.6
937.47675	0.5
939.50317	0.2
953.51581	21.6
954.51843	4.4
955.52783	1.1
977.51868	0.7
1007.52734	1.1
1025.53613	48.6
1026.53821	9.3
1043.54626	55.7
1044.54883	11.8
1069.52869	0.5
1085.55786	22.2
1086.56140	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	1083.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00890	0.5
81.03464	1.7
81.27440	0.3
83.01398	8.4
83.05067	0.6
84.02179	0.4
85.02962	23.7
86.00120	0.9
87.00886	5.6
87.04513	0.5
89.02459	4.7
93.03473	0.9
94.46439	0.4
95.01403	3.3
97.02971	4.3
99.00902	2.7
99.04539	2.0
101.02458	18.3
103.04029	1.9
109.02985	2.5
111.00912	1.8
111.04501	0.8
112.01685	1.6
113.02465	19.0
115.04009	0.4
119.03549	1.6
119.05005	0.4
121.02958	0.6
123.00828	0.4
123.08179	1.0
125.02466	6.0
127.04053	3.2
129.01965	0.4
131.03529	15.9
133.03009	0.4
135.04543	0.4
137.02490	2.8
139.03992	0.8
139.95427	0.4
143.03531	2.8
145.02866	0.4
145.05075	1.1
151.04048	0.9
155.03532	2.1
161.04575	1.4
163.04050	0.5
163.06158	1.4
175.03993	0.9
179.03517	1.5
179.05621	0.4
211.07721	0.4
221.04453	0.5
231.08755	0.9
233.06639	1.0
241.07001	0.6
257.06631	0.5
259.08228	6.2
301.09250	0.4
327.23312	0.6
329.24930	0.8
403.12592	0.4
423.32544	1.4
453.33804	1.1
469.33514	0.8
567.36987	1.5
603.39081	3.0
604.40302	0.4
645.40851	0.5
647.38745	0.7
669.40350	1.0
729.42786	0.8
731.44116	1.8
747.43304	3.6
749.45111	22.8
750.45557	3.3
765.43958	1.8
766.44598	0.5
791.46002	1.8
807.45007	1.1
819.45404	0.8
845.47223	1.2
857.47418	2.5
858.47620	0.5
863.48712	0.4
875.48328	18.3
876.48901	3.5
893.49396	100.0
894.49695	19.8
911.50397	22.4
912.50653	4.1
935.50366	11.5
936.51245	3.3
953.51575	31.1
954.51654	7.2
995.52240	6.5
996.52966	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	1083.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00746	0.3
81.03293	1.3
83.01221	5.6
83.01775	1.3
85.02782	17.6
85.99926	0.9
87.00706	4.2
87.01304	1.0
87.04414	0.5
89.02272	2.9
89.02884	0.6
93.03288	0.8
95.01205	2.9
95.01878	0.6
97.02763	3.4
97.03461	0.7
99.00694	2.0
99.04338	1.9
99.05048	0.5
101.02254	14.4
102.02666	0.3
103.03814	1.6
107.04864	0.4
108.02032	0.3
109.02744	2.2
111.00685	1.7
111.04347	0.6
112.01465	1.0
113.02242	16.7
113.03122	2.6
114.02577	0.3
115.03844	0.6
116.92701	0.4
117.03267	1.0
119.03288	1.0
119.04810	2.8
121.02787	0.5
123.00776	0.3
123.04340	0.6
123.05140	0.3
124.01520	0.4
125.02223	4.1
125.03213	0.5
127.03790	2.7
129.01712	0.2
131.03278	15.4
132.03661	0.3
137.02203	2.2
139.03801	0.4
141.01765	0.3
143.03256	2.9
143.04436	0.4
145.02715	2.2
145.04810	1.1
149.05907	0.2
151.03754	0.7
155.03241	2.7
161.04276	1.3
163.03741	2.8
163.05139	0.3
163.06108	1.2
167.03268	0.3
171.37598	0.2
175.03809	0.5
177.05394	0.6
179.03230	1.2
185.04318	0.4
193.04826	0.3
211.07358	0.8
221.04247	0.7
223.15424	0.3
229.88348	0.2
231.08395	1.0
233.06323	0.8
241.06799	0.5
244.76070	0.2
257.06378	0.4
259.08212	6.4
260.08292	0.3
277.17001	0.2
301.09119	0.5
317.24780	2.3
359.25391	0.3
371.25598	0.5
389.26550	0.8
391.96790	0.2
453.33633	0.4
469.32593	0.9
471.34177	1.0
513.35681	0.3
515.33643	0.4
567.36902	1.6
568.36877	0.3
585.37549	0.3
603.38928	3.0
604.39191	0.8
635.40601	0.5
647.37964	0.3
669.40161	0.5
673.39514	0.4
713.43024	0.3
729.42505	1.3
731.43817	1.7
747.43317	3.5
748.43311	0.7
749.45148	21.8
750.45514	4.2
765.44537	1.5
766.44568	0.3
775.43555	0.4
791.46240	1.5
792.46167	0.7
807.45453	0.6
819.44977	0.7
845.47382	1.2
846.49097	0.3
857.47205	2.8
858.47314	0.8
875.48322	20.3
876.48578	5.6
893.49341	100.0
894.49646	24.3
911.50366	20.2
912.50867	4.8
935.50476	13.3
936.50549	3.6
953.51593	32.7
954.32520	0.6
954.51825	10.0
995.52588	7.6
996.53040	2.2
1083.55957	3.7
1084.55237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	0.2
83.01399	3.8
85.02962	12.8
86.00066	0.9
86.03284	0.3
87.00893	2.1
88.98791	0.4
89.02457	9.1
93.03432	0.2
95.01386	1.4
97.02937	0.8
99.00874	1.5
99.04494	0.3
101.02456	17.9
103.04006	1.8
109.02942	0.2
109.98784	0.2
110.84940	0.2
112.01687	0.5
113.02466	8.8
117.03479	1.6
119.03572	2.0
119.05031	5.1
121.02956	0.3
125.02430	0.6
127.03990	0.3
131.03522	18.2
131.87663	0.2
132.03833	0.3
134.03708	0.7
137.02457	0.3
142.08607	0.2
143.03476	0.9
145.01904	0.2
145.02966	3.5
145.04976	0.3
149.04509	0.6
159.02943	0.4
160.01643	0.3
161.02446	0.3
161.04515	1.0
163.02754	0.2
163.04028	3.2
163.06102	0.5
164.04367	0.3
175.03958	0.3
191.05597	1.4
193.05025	0.3
209.12053	0.2
230.20045	0.3
233.06610	0.3
259.08289	0.3
283.13177	0.3
327.23270	0.6
329.24789	0.6
423.32556	1.2
453.33725	1.2
454.33759	0.4
469.33328	0.3
567.36829	0.5
603.39081	2.3
604.38843	0.4
647.37329	0.4
749.45111	7.5
750.45728	1.0
765.44373	0.3
893.49274	3.2
894.49084	0.5
911.50415	36.1
912.50708	7.7
1043.54578	69.8
1044.54895	17.0
1071.56470	1.1
1072.56421	0.8
1073.57361	0.4
1079.52393	100.0
1080.52734	24.5
1087.55530	2.0
1088.55859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0458
Annotation	4-Hydroxyaniline
Peak:m/z	Relative Intensity
50.00327	1.1
58.02971	2.1
62.26636	0.8
65.01459	2.1
66.03493	1.0
67.03015	14.2
68.01391	0.8
71.70910	1.5
74.96823	0.8
79.03024	2.1
81.03468	3.4
82.02986	3.9
82.03418	0.8
91.01910	1.7
101.93750	0.8
107.03786	10.7
108.02187	15.1
108.03793	1.8
108.04572	97.7
109.02969	100.0
109.04115	8.6
109.04906	5.4
109.06626	1.1
114.45992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00890	0.4
78.02347	0.3
81.03452	2.4
83.01399	6.7
85.02960	21.8
86.00113	1.3
86.03307	0.4
86.27790	0.3
87.00885	4.9
89.02457	4.5
93.03468	0.9
95.01388	3.1
97.02969	4.3
98.20502	0.4
99.00901	2.7
99.04534	1.9
101.02457	19.1
102.02797	0.5
103.04014	2.7
105.64469	0.3
107.05079	0.4
109.02959	2.4
111.00893	1.6
111.04498	0.6
112.01676	1.9
113.02468	20.4
115.04001	0.4
117.03456	1.2
119.03497	1.2
119.05046	2.2
121.02939	0.6
123.00906	0.6
123.04504	0.6
123.08208	0.4
124.01672	0.8
125.02467	5.4
127.04017	4.5
129.01918	0.4
131.03523	15.6
132.03862	0.4
135.04573	0.5
137.02457	3.0
139.03966	0.5
141.01961	0.5
143.03539	2.6
145.03001	1.5
145.05084	1.3
149.02478	0.5
151.04002	0.7
155.03529	3.2
161.02440	0.3
161.04576	1.3
163.04059	1.9
163.06175	1.3
167.03513	0.6
175.03987	0.5
177.01862	0.5
179.03502	1.0
192.89284	0.3
193.05104	0.4
204.94864	0.3
211.07660	0.6
217.07147	0.4
221.04512	0.4
231.08711	1.0
233.06673	1.1
241.07039	0.5
257.06625	0.8
259.08215	6.6
260.08685	0.4
301.09406	0.7
317.24725	0.6
327.23367	0.9
329.24847	1.0
360.76440	0.3
423.32565	1.0
425.34235	0.5
435.33051	0.4
453.33594	1.5
454.33768	0.4
461.80518	0.3
468.96759	0.3
469.33304	0.7
567.37073	1.6
568.37006	0.4
603.38800	2.6
604.39471	0.5
635.39374	0.4
669.40265	1.0
681.40344	0.5
693.41107	0.6
699.40808	0.5
729.42462	0.9
730.42267	0.4
731.44141	1.1
747.43317	3.9
748.43933	0.8
749.45129	22.3
750.45361	4.7
765.44507	1.4
791.46112	1.2
792.46332	0.4
807.45593	1.0
845.47260	1.3
857.46814	1.9
858.48376	0.5
863.49066	0.4
875.48328	24.8
876.48700	5.8
893.49353	100.0
894.49689	22.6
911.50439	20.1
912.50702	4.8
935.35059	0.2
935.50208	14.4
936.50494	4.3
953.51569	33.1
954.51923	9.6
995.52301	7.2
996.52856	1.6
1027.15930	0.4
1083.56189	2.2
1084.56189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
82.03007	0.9
83.01379	0.5
94.02996	11.4
94.06662	0.5
96.04560	1.7
98.19821	0.6
99.73241	0.3
101.03972	0.6
108.04585	1.0
110.06137	2.1
114.61864	0.3
119.05039	7.1
120.08210	7.5
121.05399	0.5
122.06164	4.0
134.06143	0.5
136.04070	1.2
137.04881	0.5
138.05635	5.9
144.04584	1.9
146.06126	0.5
147.04543	77.6
148.04912	2.5
150.05641	0.9
152.07236	0.5
161.04823	0.5
162.05659	0.9
164.07199	1.2
165.05589	62.4
166.05933	2.0
174.05698	1.8
200.07198	0.4
201.10263	0.4
203.05902	2.6
203.11850	0.6
204.06592	0.9
207.06636	35.6
208.07008	1.4
209.10817	0.8
210.08176	0.3
213.10387	0.5
215.11905	1.3
219.43555	0.3
223.08784	0.6
236.09578	1.3
237.10329	1.9
238.10945	0.4
239.11853	0.9
249.10284	0.8
249.13962	0.5
250.11073	0.8
251.11882	7.4
252.09346	0.4
252.12491	0.6
253.09836	0.6
257.13019	0.8
261.12421	1.1
262.07462	0.5
262.10931	0.6
263.08319	1.4
263.11783	2.0
264.09039	1.4
264.12543	1.0
265.09732	1.5
265.13373	1.7
266.10718	0.5
267.11343	0.5
268.08423	0.6
275.08270	1.2
275.11658	0.4
276.09033	2.3
277.09802	12.7
278.10516	3.4
279.11307	2.2
280.12213	0.5
281.09344	0.6
282.10062	0.8
283.10849	1.6
285.12598	1.0
290.10477	1.7
291.08115	0.7
291.11392	11.5
292.12149	10.6
293.09488	0.5
293.12872	8.2
294.10309	0.5
294.13617	0.9
295.11035	0.8
296.11530	0.7
301.12042	0.7
303.13599	2.2
306.10339	0.5
310.09827	0.5
310.13162	0.5
311.10394	0.7
312.10974	0.5
313.12042	1.5
315.11395	0.8
316.12015	0.6
317.12967	0.4
318.10043	1.4
319.10913	1.1
320.10986	0.5
320.17624	0.4
323.10330	0.7
324.11057	1.8
325.12006	2.2
326.12524	0.5
332.14240	0.7
335.10382	6.6
336.11124	5.7
337.11902	2.2
343.12924	1.7
344.13959	0.6
344.17889	0.5
345.14810	0.9
346.15570	2.1
347.16400	0.5
348.17319	0.4
350.12805	0.4
356.13956	0.6
358.15677	0.6
360.17252	2.2
361.14322	0.4
369.14597	0.6
372.13284	0.5
372.17258	2.7
373.18015	0.5
374.14749	1.5
374.19165	0.8
378.12195	0.6
386.15155	1.1
387.15851	0.6
388.16446	2.7
389.17471	1.4
390.18359	1.7
399.15881	0.4
400.16788	1.1
402.18369	2.4
404.15970	0.5
406.17590	1.4
412.16776	0.5
413.17648	0.5
414.18344	5.2
415.18893	1.5
416.16077	0.5
418.17807	3.8
419.18317	0.6
421.16171	0.5
429.16586	0.4
430.17676	0.8
431.18457	0.6
432.19513	3.5
433.20468	0.4
436.18845	0.7
440.16138	1.2
441.16949	0.7
446.17221	1.1
447.18005	1.4
448.18478	0.8
457.22833	0.8
458.17084	5.0
459.17969	5.6
460.18698	2.0
467.25089	0.4
469.22559	1.4
470.21158	0.6
472.18616	0.9
476.18277	9.1
477.18930	6.5
478.19836	1.3
487.23581	0.8
490.19931	2.0
499.23544	0.9
500.18146	0.6
508.20923	7.2
509.21124	0.8
511.23474	3.2
512.23694	0.6
513.21820	0.6
514.20526	1.0
515.21588	0.3
518.19403	0.7
525.21307	1.0
529.24622	1.5
530.24866	0.4
532.20856	1.0
537.21124	0.8
550.21667	0.4
553.24457	1.1
555.22424	3.4
556.22626	0.7
567.22601	0.6
571.25488	0.4
573.23633	5.0
574.23926	0.6
579.22620	0.8
585.23883	0.5
587.25281	2.4
597.23450	2.3
605.26172	63.8
606.26477	8.9
615.24640	3.8
616.25195	0.7
617.26178	0.5
629.26074	2.2
633.25745	6.8
634.26556	0.5
635.26819	0.5
647.27344	45.2
648.27570	6.8
659.28217	0.4
665.28369	100.0
666.28632	15.7
677.28271	3.6
689.28436	8.0
690.29059	1.0
707.29517	17.8
708.29797	3.2
719.29718	0.4
737.30902	1.3
749.30774	0.6
767.31604	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	1077.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
78.89878	0.7
81.03473	2.1
83.01398	11.1
85.02965	24.4
86.00114	1.7
86.03284	0.8
87.00886	8.1
87.04533	4.8
88.98788	1.0
89.02458	13.4
93.03476	3.2
95.01397	7.6
95.05099	1.1
95.18352	0.7
97.02964	8.9
98.19754	1.5
99.00890	6.9
99.04577	0.9
99.92592	4.1
100.75325	0.7
101.02460	32.7
102.02798	0.9
103.04026	3.6
108.02198	1.2
109.02986	4.8
111.00909	2.1
111.04534	1.6
112.01707	2.3
113.02473	28.7
113.03250	1.6
115.00394	1.0
115.04013	1.6
116.92882	27.2
117.01965	3.8
117.03498	2.6
117.92907	1.9
119.03542	4.7
119.05043	4.3
121.02981	3.2
123.04562	1.1
124.20586	0.7
125.02467	10.0
126.05921	0.7
127.04074	1.0
129.01945	0.9
129.05623	1.0
131.03474	4.3
132.02188	1.6
133.02975	10.6
134.03773	1.6
135.04541	6.9
137.02463	6.7
139.04092	0.9
141.02034	0.9
142.02760	1.1
142.06673	0.9
143.03516	14.0
145.02986	4.3
146.03426	0.8
147.04616	1.4
149.02467	4.0
150.03317	1.7
151.00342	0.9
151.04041	2.2
155.03543	2.4
159.03128	0.7
159.59000	0.7
160.01715	1.3
161.02483	30.7
161.04535	12.0
162.02798	1.4
163.04012	2.6
163.06152	1.5
165.05554	2.5
167.03548	5.1
175.02542	1.4
175.04010	1.5
177.05724	1.4
178.02774	1.0
179.03554	5.7
179.05820	0.8
183.02289	0.8
185.04584	7.4
191.03505	1.2
193.05081	1.5
197.04659	0.7
205.05182	1.6
205.07103	1.4
209.04572	1.8
209.11847	2.0
217.01540	1.2
221.04449	0.9
230.03624	1.2
233.06731	1.1
245.82936	0.8
286.25790	0.8
287.07919	0.9
289.09366	7.1
321.08881	1.2
331.10501	1.3
337.07333	2.7
339.08487	0.8
355.26572	1.9
367.08340	1.0
369.28146	1.1
373.11505	1.8
373.27695	1.4
381.28314	1.1
399.29404	1.3
457.11609	2.4
470.50018	0.8
473.36884	1.1
474.36813	1.3
487.34265	1.0
505.35123	2.5
535.33118	1.6
561.34570	2.2
562.34882	0.9
579.35913	0.9
583.37158	1.5
601.37836	2.9
613.37225	0.9
631.38751	1.1
649.39838	2.6
667.40411	4.5
793.44824	1.6
795.45746	9.9
811.44922	2.5
813.46741	16.5
814.47546	2.7
829.42737	16.9
830.42285	4.0
855.49188	1.4
871.43591	9.7
872.44720	3.3
897.41205	5.3
898.41345	1.3
914.52631	1.8
915.52765	2.7
927.50244	1.1
930.53320	1.2
939.49969	17.3
940.51471	4.4
957.51135	81.3
958.51300	18.6
975.52118	38.3
976.52118	8.5
999.53259	2.9
1017.53088	100.0
1018.53479	26.3
1033.50012	1.3
1045.45605	1.0
1076.57837	9.1
1077.58447	45.6
1078.60022	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	1075.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00878	0.3
75.93871	0.1
81.03466	0.4
83.01392	0.8
83.05023	0.3
85.02958	5.1
86.03282	0.2
87.00881	2.8
87.04509	0.4
89.02456	2.6
89.03974	0.6
93.03471	1.8
95.01395	0.4
97.02953	0.5
98.19828	0.2
99.00859	0.7
99.04528	0.5
99.92594	0.5
101.02457	2.8
101.03088	0.3
103.04031	0.5
108.02177	0.4
108.71265	0.1
109.02985	0.4
111.00893	0.2
111.04520	0.4
112.01657	0.1
113.02469	1.0
115.00333	0.1
115.03977	0.3
116.02710	0.2
116.92879	2.1
117.03482	30.4
117.92899	0.2
118.03805	1.1
119.05042	70.1
120.05383	2.8
121.02972	20.7
122.03314	0.5
123.04573	0.2
125.02478	0.6
127.04015	1.4
131.03540	1.2
131.55534	0.2
133.02962	0.4
134.03728	0.3
135.04562	0.7
137.02466	0.2
143.03513	0.7
145.02971	70.0
146.03307	3.1
147.04489	0.3
147.08156	0.3
149.04619	0.2
160.01761	0.2
161.02415	0.8
161.06128	0.3
163.04025	51.1
164.04361	2.3
175.02571	0.2
175.03961	0.2
177.05652	0.2
179.03560	0.2
181.05045	0.7
181.53355	0.1
187.03987	0.4
187.06026	0.2
193.05049	0.1
205.05084	0.2
205.07045	0.2
210.06844	0.2
211.07658	1.3
212.08031	0.2
235.88846	0.1
247.08394	0.2
291.08710	0.4
309.20728	0.2
310.85898	0.1
377.12259	0.2
385.27451	0.4
417.30176	0.2
487.34308	0.3
637.40222	0.2
684.99048	0.2
783.44611	0.3
893.49280	0.2
911.50262	1.7
912.50580	0.4
913.53052	0.2
929.51147	0.3
953.50323	0.3
1057.54663	1.7
1058.52979	0.6
1059.53564	0.3
1060.55603	0.3
1073.57092	0.6
1075.55164	100.0
1076.55518	29.8
1077.56165	0.2
1090.56934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00883	2.3
81.03424	0.3
83.01400	9.2
84.02175	0.6
85.02961	32.4
86.00101	3.7
86.03288	0.5
87.00887	20.2
87.04542	0.3
89.02456	63.5
90.02785	0.7
95.01402	8.0
97.02985	1.4
99.00900	6.2
99.01514	0.5
99.04546	0.3
101.02459	71.7
102.02181	0.3
102.02747	1.3
103.04015	0.7
107.03536	0.3
109.02979	0.3
111.00910	1.0
113.02470	47.3
114.02808	0.6
115.04011	0.6
117.03496	0.8
119.03522	26.8
119.05030	2.1
120.03844	0.5
125.02464	2.1
129.01976	2.1
131.03525	30.4
132.03850	0.4
133.01451	0.3
133.66362	0.3
143.03526	10.4
145.02974	2.5
149.04576	2.8
159.03018	5.3
159.04256	0.5
161.02422	1.1
161.04582	41.5
162.04950	0.9
163.04050	1.2
179.05632	100.0
180.05923	1.8
205.03558	0.5
221.06676	83.8
222.07027	2.1
263.07712	73.0
264.08081	1.7
321.08636	0.3
323.09930	3.3
329.24783	0.4
341.10983	2.6
437.34235	0.7
587.39246	0.3
607.35150	0.4
608.35767	0.3
733.45587	12.0
734.45557	1.6
787.41644	2.0
795.45331	0.4
895.50793	1.2
896.50720	0.3
909.48828	0.5
913.51898	4.5
914.52380	0.8
939.49713	0.4
949.47015	9.6
950.47632	1.6
969.51941	0.4
999.51849	1.4
1057.56128	12.5
1058.56311	2.5
1075.57324	80.4
1076.57568	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	1073.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00885	0.4
80.56790	0.2
81.03471	0.6
83.01398	0.8
83.05026	0.1
83.78155	0.1
85.02962	5.1
86.00119	0.1
87.00889	2.5
87.04536	0.2
88.98836	0.4
89.02464	1.0
89.03987	0.4
91.05560	0.1
93.03467	1.4
95.01399	0.4
97.02952	0.8
97.17358	0.1
98.20558	0.3
99.00890	0.5
99.04547	0.5
101.02454	2.8
103.04055	0.2
109.02984	0.6
111.00935	0.2
111.04551	0.3
113.02464	1.9
117.03489	22.8
118.03816	0.7
119.05047	71.1
120.05386	2.2
121.02978	2.0
125.02451	0.8
127.04027	1.4
128.04291	0.1
131.03535	0.6
134.03775	0.4
135.04576	0.3
139.03989	0.2
143.03539	0.4
145.02979	51.5
146.03305	1.9
147.04532	0.3
161.02484	0.4
161.04605	0.5
161.06084	0.3
163.04033	51.1
164.04376	2.2
167.03418	0.2
185.79997	0.1
187.04080	0.3
187.06052	0.2
193.05072	0.2
200.40944	0.2
205.05107	0.3
211.07668	1.4
284.46579	0.2
290.51877	0.2
291.08566	0.2
351.10867	0.2
437.14645	0.2
445.54468	0.1
473.36374	0.7
522.15070	0.2
748.55737	0.2
781.47382	0.2
875.47797	0.2
909.52167	0.8
911.50629	0.3
1062.13379	0.2
1073.57300	100.0
1074.57654	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	1075.553
Annotation	Unknow
Peak:m/z	Relative Intensity
79.61391	0.2
81.03451	0.6
83.01387	0.8
83.05023	0.4
85.02962	5.0
87.00880	2.7
87.04508	0.5
88.98828	0.6
89.02451	3.0
89.03979	0.4
93.03454	1.3
96.95956	0.3
97.02962	0.6
99.00927	0.6
99.04539	0.4
101.02460	3.3
103.04027	0.5
109.02985	0.6
111.00951	0.3
113.02480	1.3
114.04900	0.2
115.00419	0.5
115.04037	0.5
116.02721	0.3
117.03484	26.8
118.03828	0.8
119.05045	64.0
120.05384	2.4
120.30855	0.2
121.03031	1.1
123.04523	0.4
125.02448	0.5
127.04039	1.3
131.03517	1.6
133.01427	0.8
133.05101	0.6
134.03770	0.6
135.04552	0.4
142.99916	0.2
143.03523	0.8
145.02974	63.0
146.03317	3.1
147.04573	0.4
160.01630	0.3
161.02463	0.3
161.04718	0.2
161.06126	0.3
163.04030	44.9
164.04379	2.0
175.02451	0.4
179.05769	0.3
197.12013	0.2
199.68532	0.2
201.54437	0.2
204.06627	0.3
205.07124	0.3
211.07677	1.0
211.13448	0.5
246.08957	0.2
247.08200	0.4
285.72430	0.3
291.19751	0.3
309.20715	0.6
351.10880	0.3
353.91965	0.3
385.27612	0.4
389.72412	0.3
397.13583	0.3
417.30444	0.3
783.43860	0.4
911.50568	1.5
912.50781	0.8
913.51593	1.1
929.50714	0.3
1031.51086	0.5
1057.54187	0.4
1059.52527	0.3
1075.55225	100.0
1076.55542	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.6968
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00862	0.3
78.95901	0.3
89.02463	0.3
117.03475	4.9
119.05050	3.5
121.02956	0.4
131.47163	0.2
135.02972	0.6
145.02977	11.3
146.03297	0.5
162.03116	0.2
163.04062	2.4
201.11319	0.4
209.11818	0.7
215.16472	0.2
252.83917	0.2
255.23273	0.6
283.13422	0.4
300.13925	0.2
391.30090	0.5
397.13589	0.6
407.29480	1.9
409.31085	8.8
410.31528	1.2
453.30060	44.4
454.30338	5.2
573.39917	0.9
617.38623	100.0
618.38971	15.5
1071.51880	1.2
1072.53430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00876	0.2
77.44804	0.1
79.82463	0.1
81.03466	0.6
83.01403	0.6
83.05031	0.3
85.02961	4.4
86.03337	0.1
87.00885	2.4
87.04516	0.2
89.02451	0.8
89.03994	0.4
91.05566	0.1
93.03473	1.2
95.01414	0.5
97.02960	0.5
99.00887	0.9
99.04528	0.4
101.02458	2.8
102.02800	0.1
103.04024	0.4
108.99709	0.1
109.02914	0.6
111.00900	0.3
111.04554	0.2
113.02477	1.7
115.00365	0.1
115.04046	0.2
116.02724	0.1
117.03484	22.2
118.03815	0.8
119.05044	69.1
120.05376	2.3
121.03010	0.3
125.02471	0.9
127.04028	1.6
129.26225	0.1
131.03522	0.3
133.02963	0.3
133.06511	0.1
134.03757	0.3
135.04552	0.5
137.02480	0.2
143.03516	0.6
145.02975	49.9
146.03316	1.7
147.04512	0.3
147.08205	0.1
159.03038	0.1
160.01608	0.2
161.02541	0.5
161.04602	0.5
161.06148	0.3
163.04030	50.9
164.04366	2.0
165.02017	0.1
177.05647	0.2
179.03461	0.1
185.04715	0.1
187.03995	0.3
187.06252	0.1
193.05112	0.1
197.11827	0.1
205.05020	0.2
205.06970	0.1
209.11855	0.1
210.06827	0.2
211.07666	1.3
211.13493	0.1
217.61856	0.1
231.06543	0.1
247.08392	0.2
249.07826	0.1
291.08707	0.3
337.08469	0.1
351.10657	0.2
377.12448	0.1
437.14767	0.1
473.36545	0.7
474.36877	0.1
527.37274	0.2
643.89105	0.1
781.47705	0.1
909.52386	0.6
945.78900	0.1
957.48645	0.3
1041.51929	0.1
1057.56091	0.1
1058.52783	0.1
1073.57263	100.0
1074.57617	24.4
1087.54602	0.1
1088.55481	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	1062.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
75.99905	1.8
83.01404	20.6
84.01730	3.4
85.02961	31.7
86.03315	5.0
87.00893	13.5
89.02457	16.0
93.03480	2.6
95.01410	9.4
97.02998	13.0
99.00896	6.9
101.02466	45.6
102.02830	3.3
103.04035	5.2
105.52144	2.1
109.02969	7.9
111.00909	4.3
113.02476	37.8
114.02783	4.3
115.02883	2.5
116.92884	3.8
119.03534	4.1
121.02987	6.0
125.02481	13.0
126.02798	2.2
127.04121	2.9
131.03510	9.4
133.02975	2.6
135.04544	2.6
135.67642	2.1
137.02463	8.3
140.04483	2.4
143.03514	21.8
144.03844	4.4
149.02448	3.6
151.04118	2.5
161.02449	6.9
161.04572	13.9
162.04880	3.1
167.03543	5.2
179.03508	3.8
179.05684	2.4
185.04584	6.3
194.46440	2.1
289.09366	8.9
290.09564	3.6
306.07571	9.4
509.31512	2.6
650.40442	2.4
651.40167	6.7
652.40875	3.2
655.36786	2.7
795.45203	4.3
796.46057	12.4
797.46533	14.3
798.46625	15.9
799.41486	9.5
800.41443	17.5
817.42670	2.9
818.43463	5.1
840.46680	2.6
859.43726	3.1
860.43909	5.0
924.50220	2.6
929.51379	4.7
930.51691	9.1
939.50220	4.3
940.50482	9.2
941.50586	34.8
942.51013	70.3
943.50641	4.8
958.51245	3.3
959.52307	18.1
960.52295	31.0
999.47900	14.8
1000.50549	11.7
1001.52570	34.8
1002.52972	100.0
1003.53363	10.3
1061.56152	3.0
1062.52222	80.1
1063.52710	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	19.1
84.35842	15.9
85.02983	21.1
87.00880	38.0
89.02441	35.7
89.64344	14.5
101.02467	45.8
115.00404	54.1
119.03508	17.4
122.11205	15.7
125.02438	30.8
135.65056	16.3
142.06645	26.6
166.60001	15.4
175.02560	72.3
179.05682	21.7
181.01738	14.7
186.05522	15.7
197.11903	40.0
198.12152	21.1
204.06577	23.6
211.13422	72.4
213.14905	22.6
241.14395	39.6
277.21844	75.9
278.21945	21.5
309.20782	100.0
310.21097	69.6
311.21420	34.6
379.12656	20.3
397.13470	60.8
398.13763	34.7
415.14636	30.4
485.32645	36.7
900.50214	65.5
944.50208	36.6
1062.55505	22.6
1063.53503	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	1069.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00884	0.7
77.03960	0.3
81.03460	4.4
83.01395	23.1
83.05029	1.2
85.02961	29.9
86.00107	2.7
87.00887	11.6
87.04533	2.1
89.02457	10.1
91.05556	0.3
93.03474	3.7
95.01400	12.2
95.05048	0.8
95.49650	0.3
96.99332	0.8
97.02963	28.0
98.03309	0.6
99.00893	6.9
99.04522	1.9
101.02459	33.1
102.02794	0.5
103.00394	0.5
103.04026	5.9
105.03468	0.5
107.01416	0.5
107.05053	1.1
108.02192	1.0
109.02969	8.9
109.06582	0.3
110.00118	0.3
110.03325	0.3
111.00894	4.1
111.04510	1.6
112.01696	2.6
113.02467	39.8
114.02766	0.6
115.04032	3.5
116.92860	0.3
117.01959	0.3
117.03542	0.4
119.03538	3.3
119.05032	0.9
120.43142	0.3
121.02978	3.9
123.00889	1.3
123.04541	1.9
123.08157	0.6
124.01688	1.1
125.02467	23.0
126.02766	0.5
127.04019	4.5
129.01950	0.6
131.03520	2.6
133.02957	0.3
134.03709	0.5
135.00969	0.3
135.04550	1.4
136.01642	0.4
137.02469	10.0
137.06105	0.4
139.00421	0.3
139.04048	2.7
141.01970	2.3
142.02725	1.5
143.03522	27.4
144.03885	0.8
145.02966	0.6
145.05054	3.0
147.04530	0.9
149.02460	4.3
149.06097	0.3
151.04030	2.6
153.01976	0.5
153.05650	0.3
155.03532	4.1
159.03014	0.4
161.02422	1.0
161.04575	12.6
162.03281	0.3
162.04930	0.4
163.04091	1.2
163.06145	5.7
165.01846	0.7
165.05617	0.4
167.03514	7.4
175.04089	0.5
177.05614	0.4
179.03516	5.6
179.05734	0.5
180.04266	0.3
181.05048	0.5
185.04559	8.1
191.03622	1.2
191.05074	0.3
193.05009	0.5
197.04559	0.9
203.03549	0.3
203.05559	0.4
205.05286	0.4
205.07202	1.4
207.06499	0.4
209.04582	2.8
211.07658	0.3
217.07137	0.3
221.06577	0.3
223.06216	0.3
227.05612	0.9
229.07310	0.3
233.04611	0.6
233.06631	2.5
243.08632	0.4
251.05597	0.7
257.06628	0.7
261.09821	0.7
269.06699	0.8
271.08167	1.5
286.84604	0.3
287.07736	2.1
289.09286	37.8
290.09570	1.7
295.08109	0.3
327.23404	0.7
329.24911	1.1
331.10330	3.8
347.25931	0.6
373.11536	1.3
377.64578	0.3
423.32617	1.1
425.34198	0.5
433.13562	0.4
435.32822	0.5
451.14108	0.3
453.33655	1.8
469.33353	1.1
513.35956	0.4
541.35541	0.3
567.37091	4.3
568.37482	0.8
597.38098	1.5
624.66113	0.3
633.40253	11.2
634.40686	2.0
675.40839	0.3
703.41144	0.3
711.41895	0.4
723.40991	0.4
743.43915	0.4
759.43604	3.9
760.43927	0.6
761.44910	2.0
762.45947	0.3
777.44824	4.4
778.45056	0.6
779.46155	35.7
780.46344	6.0
795.45789	2.0
796.46216	0.5
803.45197	0.3
821.47180	5.2
822.47845	1.0
837.46124	1.4
845.47357	0.5
849.47034	0.6
857.48279	0.5
875.48425	0.8
887.48547	2.5
888.48401	0.3
905.49323	24.6
906.49561	4.7
923.50336	100.0
924.50665	20.6
941.51538	20.7
941.71741	0.4
942.51971	4.4
949.49445	0.4
965.51550	15.9
966.51666	4.0
967.51801	0.3
983.52563	72.9
984.52911	15.7
1009.54077	3.5
1010.54871	0.5
1025.53650	9.6
1026.53748	2.6
1069.55054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02447	0.9
75.00873	2.0
81.03462	1.8
83.01393	7.9
85.02959	21.7
86.00092	1.2
87.00880	5.5
89.02464	7.4
95.01397	3.5
97.02933	2.7
98.19814	1.3
99.00890	2.7
99.04544	1.5
99.92597	15.0
100.92626	2.5
101.02460	26.0
103.04028	2.6
109.02978	1.4
112.01685	2.0
113.01702	1.2
113.02464	16.3
116.92876	81.7
117.01963	9.3
117.03489	6.9
117.92102	1.1
117.92895	15.7
118.03847	1.4
118.92639	1.1
119.03554	1.8
119.05048	14.1
120.05396	1.7
125.02515	4.0
127.04002	2.3
128.03545	1.3
131.03529	19.6
137.02441	2.6
143.03571	2.0
143.04613	1.9
145.02983	12.2
146.03296	2.0
155.03503	2.8
161.04506	1.4
163.04025	10.0
211.07655	2.3
215.30098	1.1
229.54634	1.0
259.08139	3.3
272.08829	1.4
306.07666	6.0
317.24969	2.0
371.45224	0.9
505.77786	0.9
603.38556	1.5
616.73608	1.0
671.24701	0.8
747.43445	3.0
749.45123	15.5
750.45679	3.3
765.44830	1.5
893.49365	100.0
894.49628	23.8
911.50366	42.8
911.64795	0.9
912.50830	11.7
942.51147	1.8
953.51642	47.0
954.51971	12.7
1059.55310	3.4
1060.56006	21.0
1061.54724	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	1062.277
Annotation	Unknow
Peak:m/z	Relative Intensity
75.24241	0.1
83.01395	1.0
85.02953	0.2
91.01919	0.2
93.03477	0.2
95.01396	0.6
99.00890	0.4
100.04630	0.1
101.02444	0.6
103.00414	0.5
107.01399	1.7
108.02192	0.7
109.02957	0.7
111.00868	0.2
113.02474	0.6
116.05073	0.7
121.02982	1.2
124.01684	0.2
125.02456	0.6
127.00381	0.1
128.05096	0.2
130.06598	0.5
135.00899	0.4
139.00406	0.3
142.06659	1.7
143.03513	0.1
144.04561	0.1
147.04515	0.6
148.01659	0.6
149.02457	0.2
151.00394	7.3
152.00787	0.3
153.01915	0.1
158.06134	1.7
159.04544	0.3
161.02435	0.1
161.04587	0.2
163.00394	1.4
164.01108	0.4
165.05528	0.5
168.00642	0.2
169.01506	0.7
171.04507	0.1
172.04112	0.1
174.03143	0.2
175.03981	0.2
178.99879	4.0
180.00229	0.2
183.04431	0.2
184.07671	0.5
185.06207	0.1
186.05635	1.1
187.04018	0.3
190.99866	0.2
191.03592	0.2
192.00610	0.3
193.01340	0.1
198.03258	0.2
199.04057	0.3
201.01996	0.1
201.05591	0.2
203.03593	0.2
204.06662	7.2
205.07083	0.5
207.06679	0.2
211.03978	0.6
212.04581	0.1
213.02040	0.1
213.05467	0.1
214.02655	0.1
215.03531	0.4
216.04279	0.3
226.02711	0.8
227.03491	1.7
228.04251	0.2
228.06622	1.9
229.01491	0.1
229.05133	0.5
239.03452	0.3
243.02985	5.9
244.03532	0.6
245.04488	0.8
246.07695	0.3
247.04572	0.4
254.02255	1.3
255.02975	16.6
256.03339	1.4
257.04935	0.2
266.02206	0.2
271.02466	35.4
272.02917	3.3
272.05920	0.2
273.03931	0.9
283.02487	0.8
299.02051	1.0
300.02759	70.6
301.03464	28.9
302.03925	1.7
313.03494	0.2
314.06696	1.1
316.47906	0.1
343.04611	0.6
344.07730	0.4
347.16989	0.3
348.17493	0.1
365.17969	0.9
366.18539	0.4
372.13058	0.1
392.09821	0.3
407.19235	2.0
408.19604	0.9
434.11002	0.1
451.08932	0.2
452.11966	2.3
453.12299	0.2
609.14752	100.0
610.15100	13.7
673.15332	0.1
885.33142	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	1060.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00896	0.5
81.03459	1.4
82.07436	0.4
83.01393	3.8
84.68402	0.4
85.02966	15.4
86.00089	0.7
86.03320	0.6
87.00893	4.1
87.04494	0.8
89.02460	3.4
93.03478	1.6
95.01411	1.7
97.02970	1.8
99.00891	1.7
99.04551	1.6
101.02462	15.4
103.04030	1.4
108.02158	0.5
109.02995	1.0
111.00911	1.1
111.04523	0.5
113.02462	11.6
117.03485	27.2
118.03816	3.7
119.05047	67.1
120.04531	0.6
120.05385	9.8
121.02971	2.0
125.02483	2.2
127.04066	2.2
129.01895	0.5
131.02545	0.6
131.03522	11.1
131.04443	0.8
135.04559	0.8
137.02473	1.1
142.06578	0.5
143.03520	1.1
145.02979	64.3
146.03317	9.6
147.03574	0.6
147.04587	0.6
147.08183	0.7
155.03540	1.4
161.04584	1.0
161.23766	0.4
163.04031	50.7
164.04367	8.9
167.77928	0.5
172.52426	0.4
179.03543	0.7
211.07669	0.9
233.06619	0.5
259.08160	1.5
329.24765	0.6
423.32761	0.9
567.36945	0.7
603.39166	1.2
747.43353	1.8
749.45026	7.9
750.45789	1.3
765.44843	0.8
767.45569	0.5
829.45709	0.6
893.49365	55.0
894.49695	15.2
894.66528	0.9
896.51117	0.6
911.50403	23.7
912.50879	6.7
916.55902	0.6
948.92139	0.6
953.51544	24.1
954.51764	5.8
974.54675	0.6
1000.54816	0.5
1016.52869	0.7
1059.32764	0.9
1059.55518	14.6
1060.55908	100.0
1061.56372	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	1059.577
Annotation	Unknow
Peak:m/z	Relative Intensity
74.03282	0.1
74.81036	0.1
75.00878	0.9
81.03466	0.7
83.01397	2.1
83.05041	0.3
84.02173	0.2
85.02961	24.0
86.00105	1.0
86.03277	0.5
87.00887	4.4
87.04525	1.1
89.02456	7.1
90.02793	0.1
95.01397	1.6
96.95974	0.1
97.02963	1.2
98.19805	0.1
99.00898	1.6
99.04530	1.5
101.02458	14.2
101.06098	0.2
102.02812	0.3
102.89967	0.1
103.04025	1.5
109.02969	0.9
111.00881	0.3
111.04546	0.1
112.01674	0.4
113.02470	5.4
114.02757	0.1
115.04024	1.0
119.03527	2.4
119.04976	0.1
121.03042	0.1
123.00963	0.1
123.04561	0.1
125.02451	0.9
127.03117	0.2
127.04031	2.7
129.01956	0.3
131.03522	4.0
134.03694	0.1
135.04543	0.1
141.01892	0.1
143.02391	0.1
143.03522	2.7
145.02992	0.1
145.05104	1.1
149.04510	0.1
151.04068	0.1
155.75453	0.1
159.03021	0.4
159.06644	0.4
160.46112	0.1
161.02464	0.2
161.04587	0.8
163.06171	0.3
179.05606	0.2
205.07187	1.0
219.13852	0.1
229.07208	0.2
230.17654	0.1
231.08699	0.8
233.06821	0.1
247.08226	1.0
289.09451	0.1
291.10870	0.4
321.08890	0.1
355.26044	0.1
357.28110	0.1
385.31213	0.5
397.31155	0.1
415.54218	0.1
437.34204	0.2
455.35361	0.7
456.35587	0.1
457.33078	0.1
469.32687	0.1
471.35040	0.1
473.36380	4.3
474.36804	0.7
517.35211	0.3
526.87872	0.1
543.37665	0.1
569.38208	0.2
587.39899	0.5
588.40015	0.1
596.91156	0.1
605.40625	2.5
605.50452	0.2
606.41034	0.6
733.46155	0.2
751.46625	0.6
752.46576	0.1
755.42297	0.2
765.44812	0.1
767.46271	0.8
768.46014	0.2
795.46680	0.2
895.51245	0.1
897.52203	1.0
913.52014	2.1
914.51935	0.5
927.49323	0.6
928.50757	0.2
939.49628	0.6
957.51129	0.7
958.51379	0.3
999.51471	0.3
1059.57617	100.0
1060.57971	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	1059.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00879	0.5
81.03474	0.4
83.01393	0.8
83.05051	0.3
85.02963	5.2
86.00110	0.3
87.00880	2.3
87.04518	0.5
88.98814	0.6
89.02446	1.3
89.03956	0.3
89.27869	0.3
93.03467	1.6
94.07567	0.2
95.01404	0.3
96.96031	0.2
97.02994	0.4
99.00916	0.5
99.04543	0.7
101.02463	3.9
103.04043	0.6
105.01936	0.3
107.73136	0.2
109.02967	0.3
111.00885	0.2
113.02477	1.7
113.03197	0.3
116.92850	0.6
117.03487	26.9
118.03827	0.9
119.05046	66.3
120.05389	2.7
121.02993	0.5
124.96837	0.2
125.02459	0.5
125.77615	0.2
127.04031	1.2
131.03529	2.8
137.02443	0.3
142.83923	0.2
143.03542	0.6
145.02977	63.9
146.03313	2.3
147.04483	0.3
147.08118	0.3
161.02473	0.2
161.04533	0.2
163.04031	51.4
164.04373	1.8
171.08156	0.2
174.98689	0.2
211.07529	0.6
234.51762	0.3
243.17538	0.2
259.08350	0.3
291.08646	0.3
306.07657	0.9
345.72495	0.2
383.29327	0.2
401.30585	0.6
459.34650	0.3
471.35114	0.2
731.41882	0.3
736.08795	0.2
749.45502	1.1
893.49292	8.0
895.51001	0.8
911.50214	3.3
913.50665	0.4
927.22247	0.3
953.51044	1.9
973.52454	0.3
1059.55615	100.0
1060.55872	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	1059.556
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	0.3
81.03474	0.4
83.01402	0.6
83.05033	0.2
85.02965	5.3
86.00127	0.2
86.03323	0.2
87.00887	3.0
87.04501	0.2
89.02457	2.1
89.03979	0.5
91.05548	0.2
93.03473	1.6
95.01432	0.3
97.02965	0.7
99.00897	0.3
99.04527	0.6
99.92626	0.4
101.02464	2.8
103.04061	0.4
109.02963	0.5
111.00877	0.2
113.02478	1.0
115.04060	0.4
116.92909	1.0
117.03491	29.3
117.26564	0.1
118.03838	1.1
119.05048	80.3
120.05379	2.6
121.02956	0.7
125.02469	0.9
127.04041	1.2
128.22554	0.2
131.03548	1.5
135.04562	0.3
137.02489	0.4
143.03513	0.6
145.02980	69.3
146.03308	2.7
147.04523	0.4
147.08220	0.2
149.06116	0.2
161.04494	0.2
161.06119	0.3
163.04034	56.4
163.60374	0.2
164.04382	2.2
165.52959	0.2
177.05495	0.2
187.04019	0.3
205.05133	0.4
205.07123	0.3
211.07658	1.2
231.08737	0.2
289.09308	0.2
291.08673	0.3
305.06711	0.4
335.21652	0.2
351.11142	0.2
457.33167	0.3
489.35693	0.5
621.41077	0.2
653.85107	0.2
767.45599	0.3
811.48248	0.3
895.50464	0.9
896.51617	0.2
911.49860	0.3
948.95056	0.2
955.52686	0.3
973.52618	0.2
1016.50305	0.2
1043.56311	0.3
1057.54797	0.3
1059.55591	100.0
1060.55920	22.9
1075.54968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00885	0.2
81.03480	0.5
83.01387	0.5
83.05034	0.3
85.02959	5.0
86.00099	0.1
86.03288	0.1
87.00889	3.3
87.04527	0.3
89.02451	2.5
89.03979	0.4
91.05544	0.2
93.03471	1.4
95.01411	0.2
95.05032	0.2
97.02963	0.5
99.00880	0.2
99.04540	0.5
101.02456	2.6
103.04060	0.4
109.02964	0.6
111.00898	0.2
111.04488	0.3
113.02479	0.6
115.00387	0.2
115.03962	0.1
116.02732	0.2
117.03485	27.1
118.03810	0.9
119.05044	72.8
120.05376	2.5
121.02964	0.3
123.04523	0.1
125.02493	0.6
127.04031	1.5
131.03542	1.6
133.02933	0.3
134.03777	0.2
135.04529	0.3
137.02478	0.3
139.03999	0.2
143.03563	0.7
145.02972	64.7
146.03314	2.7
147.04567	0.3
147.08173	0.4
161.02458	0.2
161.04688	0.2
161.06131	0.4
163.04028	51.8
164.04352	1.9
177.26387	0.1
179.03514	0.2
187.04019	0.4
205.05150	0.2
205.07217	0.3
210.06848	0.3
211.07655	2.3
211.13449	0.2
212.08047	0.3
213.07747	0.1
220.14714	0.3
221.15466	0.8
231.08783	0.1
236.10588	0.5
243.14049	0.1
272.48584	0.1
291.08496	0.3
293.17624	0.6
293.21127	0.2
351.10901	0.4
377.12463	0.1
401.55780	0.1
457.33112	0.3
462.73166	0.1
469.33481	0.2
489.36261	0.7
583.32062	0.1
621.40338	0.3
650.90350	0.1
767.45642	0.3
811.83228	0.1
893.49622	0.2
895.51068	0.8
897.52722	0.2
911.49548	0.1
913.52148	0.4
914.53333	0.2
917.45428	0.2
927.02094	0.3
927.52844	0.2
928.52509	0.2
929.52765	0.2
999.04681	0.3
1015.49872	0.2
1059.55554	100.0
1060.55847	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	1059.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00885	0.3
81.03461	0.5
82.11098	0.3
83.01392	1.7
83.05039	0.4
85.02956	7.3
85.03447	0.5
87.00881	3.0
87.04534	0.8
89.02456	2.1
89.03954	0.6
93.03483	2.5
95.01379	0.5
97.02987	0.9
99.00888	0.7
99.04553	0.7
101.02464	6.5
103.04033	1.1
105.01968	0.5
109.02985	0.6
111.00932	0.4
113.02478	3.3
116.92885	0.3
117.03487	34.6
118.03791	1.6
119.05045	87.6
120.05392	4.6
121.02977	2.8
125.02482	1.0
127.04044	1.6
131.03531	4.3
133.02969	0.5
134.03772	0.4
135.04553	0.8
137.02499	0.7
143.03516	1.3
145.02975	78.1
146.03311	3.6
146.04358	0.4
147.04578	0.4
147.08192	0.3
155.03448	0.4
160.01631	0.3
161.02458	0.7
161.04474	0.3
163.04031	64.5
164.04378	2.9
167.03474	0.3
179.03484	0.5
187.04076	0.3
211.07671	1.2
259.08215	0.4
301.07391	0.3
329.25171	0.3
383.29846	0.4
401.30695	0.7
453.33682	0.5
471.35110	0.5
603.38812	0.4
747.43103	0.4
749.45441	2.4
767.44617	0.4
811.48639	0.5
893.49335	14.7
895.51630	0.7
911.50421	6.4
913.51117	0.6
953.51691	7.0
973.54382	0.9
999.52777	0.3
1038.13159	0.4
1043.55090	1.9
1044.56274	1.5
1045.56763	0.7
1057.53577	0.6
1058.54395	0.8
1059.55591	100.0
1060.55884	28.5
1073.58521	1.4
1074.58313	1.8
1075.57495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00854	0.6
77.04015	0.3
78.46915	0.3
81.03481	2.2
83.01399	15.9
83.05021	1.0
84.02197	0.3
85.02962	20.7
86.00147	1.4
87.00890	6.7
87.04516	0.8
89.02457	8.8
93.03463	3.5
95.01395	8.9
95.05058	0.4
96.99320	1.3
97.02966	13.3
98.03303	0.3
99.00903	4.2
99.04519	1.2
101.02460	21.0
103.04024	3.2
105.03476	0.3
107.01430	0.3
107.04977	0.3
108.02159	0.7
109.02210	0.4
109.02962	6.9
112.01689	1.8
113.02467	25.8
114.02746	0.5
115.04047	1.8
116.92860	0.4
117.03435	0.4
119.03519	3.0
119.04995	0.9
121.02969	4.4
123.00927	0.6
123.04532	1.4
124.01634	0.5
125.02470	10.9
127.04044	2.6
129.01912	0.4
131.03494	2.2
133.02963	0.5
135.04518	1.1
137.02472	8.6
138.02766	0.3
138.17168	0.3
139.00374	0.3
139.03995	1.2
141.01897	1.0
142.02698	0.6
143.03526	17.6
144.03845	0.5
145.02956	0.5
145.05040	0.9
147.04497	0.3
149.02472	4.3
150.03207	0.4
151.04044	1.4
155.03535	4.5
159.03035	0.4
161.02432	1.1
161.04584	8.9
162.04947	0.3
163.04045	0.9
163.06137	2.3
165.01999	0.5
165.05562	0.4
167.03522	6.0
179.03517	3.7
179.05667	0.6
185.04575	9.5
191.03513	0.7
205.07166	0.6
209.04587	1.3
211.13310	0.4
214.05624	0.3
227.05598	0.3
233.06657	0.6
239.05791	0.4
243.52547	0.3
271.08017	0.3
287.07782	1.7
289.09286	13.9
290.09631	1.0
295.08191	0.4
307.10223	0.3
331.10269	1.3
373.11450	2.5
401.08902	0.5
429.30078	0.7
485.32971	0.6
530.27863	0.3
544.87103	0.3
583.36401	2.2
613.37488	0.6
649.39697	8.3
650.39880	1.0
765.44714	0.3
775.42950	1.0
777.44830	0.5
793.44232	2.7
794.45612	0.6
795.45593	19.7
796.46210	4.3
811.45087	1.5
837.46588	1.8
838.46832	0.4
909.48828	0.4
921.48535	0.9
927.49805	1.8
928.50250	0.5
929.53876	0.4
939.49817	100.0
940.50330	22.9
957.51031	51.9
958.51276	12.3
999.52014	23.4
1000.52325	6.4
1059.54565	3.6
1060.53052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	0.8
75.00881	1.4
81.03456	0.6
83.01401	0.9
85.02963	4.2
85.34484	0.3
86.00108	0.3
87.00890	2.4
89.02464	1.2
89.03960	0.3
93.03477	1.8
95.01392	0.4
97.02985	0.6
99.04533	0.4
100.62690	0.3
101.02464	2.9
103.04015	0.4
109.02978	0.5
111.00907	0.5
113.02485	0.7
117.03488	26.3
118.03836	1.1
119.05048	86.0
120.05388	3.1
121.03039	0.4
125.02468	0.7
127.04032	0.9
129.01945	0.9
131.03517	2.0
135.04613	0.3
143.03571	0.5
145.02979	61.6
146.02386	0.3
146.03360	2.8
147.04543	0.7
161.02437	0.3
163.04034	71.1
164.04352	2.8
165.05559	0.4
169.63428	0.3
196.64131	0.3
211.07735	0.4
214.09094	0.3
291.08676	0.4
581.38910	0.4
765.45551	0.4
893.48462	0.4
895.50885	0.7
937.52106	0.4
1057.54028	100.0
1058.54321	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	105.0196
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01377	13.1
64.01915	2.2
65.01443	1.2
70.91460	1.2
70.91828	2.2
72.99313	53.2
73.99648	1.4
75.00880	31.3
87.92512	1.6
103.27155	0.8
104.92820	1.9
105.01951	100.0
105.04641	1.5
106.02296	3.3
106.04127	14.7
113.37440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	0.6
83.70939	0.1
86.74164	0.1
91.01913	0.2
93.03490	0.4
104.43917	0.1
107.01394	2.3
108.02172	1.0
109.02990	1.1
121.02957	1.5
124.01730	0.2
125.02478	0.3
132.02225	0.2
135.00906	0.7
136.61174	0.1
142.06625	0.3
143.05048	0.2
147.00923	0.2
148.01711	0.7
149.02496	0.3
151.00388	9.1
152.00757	0.3
153.01974	0.2
159.04547	0.3
161.02469	0.2
161.06198	0.1
163.00381	2.4
164.01201	0.6
165.01962	0.3
167.05028	0.2
169.01466	0.5
171.04425	0.1
174.03333	0.1
175.03969	0.2
178.99876	4.5
179.64816	0.1
180.00235	0.2
183.04591	0.3
185.02531	0.1
185.06105	0.5
187.03978	0.7
188.07381	0.1
190.99934	0.2
192.00681	0.4
193.01538	0.2
195.04594	0.2
197.02463	0.1
198.03188	0.2
199.04004	0.5
200.04834	0.2
201.02055	0.2
201.05611	0.5
203.03671	0.2
204.06589	0.3
211.03983	1.4
211.18477	0.1
212.04781	0.3
213.01921	0.3
213.05565	0.4
214.02747	0.2
215.03502	0.6
216.04271	0.3
226.02695	1.2
227.03506	10.1
228.03865	1.0
229.05008	1.8
239.03461	0.7
240.04300	0.2
241.01537	0.6
241.05048	0.3
242.02013	0.4
243.02980	6.9
244.03564	0.8
245.00844	0.2
245.04514	1.0
254.02188	1.6
255.02980	38.2
256.03436	3.4
257.04572	1.0
267.02878	0.1
270.01547	0.7
271.02463	43.7
272.02872	4.0
273.03928	0.9
283.02637	1.3
284.03256	31.4
285.03979	12.1
286.04428	0.8
298.01193	0.2
299.01968	1.5
300.02753	82.8
301.03476	39.2
302.03860	2.2
317.67926	0.1
327.05096	0.5
343.04611	0.3
356.80582	0.1
461.06964	1.1
462.07663	1.2
463.08789	100.0
464.09128	10.9
593.15125	54.3
594.15466	7.9
750.39929	0.1
996.02740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.569
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99348	0.4
73.02950	0.8
79.55855	0.2
81.03475	0.5
83.01375	0.7
85.02963	4.0
86.00136	0.2
86.55068	0.3
87.00881	2.5
89.02446	1.0
89.03972	0.4
91.05533	0.3
93.03489	1.5
95.63324	0.2
96.96030	0.4
97.02986	0.6
99.00909	0.4
99.04548	0.6
101.02463	3.2
103.04025	0.4
109.02993	1.3
111.04547	0.3
113.02466	0.7
115.03973	0.3
116.92890	0.3
117.03486	23.4
118.03816	0.6
119.05046	79.8
120.05395	3.2
121.02963	0.6
125.02463	2.0
127.04030	1.5
131.03523	1.4
133.02962	0.3
137.02509	1.4
139.04059	0.4
145.02977	54.4
146.03333	2.3
147.04543	0.4
147.08223	0.4
151.03995	0.3
154.06299	0.5
163.04031	69.0
164.04361	2.8
165.01941	0.7
166.02763	0.3
177.01915	0.6
177.05591	0.3
179.03491	0.4
192.11069	0.3
194.08357	0.3
205.05045	0.3
209.11774	0.4
219.06479	0.3
219.68639	0.3
285.04327	0.3
291.08621	0.4
303.05045	1.2
305.06732	1.4
426.11252	0.3
473.36404	1.2
485.32681	0.7
879.51404	0.8
913.54706	0.3
923.51526	0.8
941.53174	0.7
983.53650	1.6
1043.56152	100.0
1044.56348	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	1046.516
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	13.7
73.02956	14.4
75.00898	4.7
81.03473	4.3
83.01410	26.2
85.02953	50.7
87.00905	11.2
89.02435	24.1
93.03471	5.1
95.01408	11.6
96.96022	6.0
96.99328	4.8
97.02962	19.7
99.00900	7.7
101.02462	45.7
102.02787	6.7
103.04034	9.3
108.32659	4.3
109.03046	10.0
111.00927	4.5
112.01688	4.8
113.02477	45.1
114.02798	6.8
119.03497	7.2
119.04985	5.1
121.02985	7.7
125.02453	19.9
127.04010	5.0
128.03502	6.5
129.02010	3.9
131.03491	11.3
133.01505	6.1
135.04483	4.2
137.02483	12.2
143.03548	35.7
143.04584	7.9
144.03804	10.0
147.06703	5.1
149.02486	9.1
149.04504	7.5
155.03517	5.9
161.02492	7.9
161.04567	17.7
162.84294	4.2
163.06094	4.8
167.03491	13.5
172.21475	4.3
179.03493	7.8
183.06645	4.9
185.04567	15.0
186.04895	7.2
209.11902	4.6
222.69147	4.5
289.09299	18.6
290.09680	7.4
291.09842	6.4
306.07761	19.0
413.95526	4.3
426.65256	4.8
634.40460	7.3
635.41162	9.1
779.45642	11.8
780.45966	16.3
781.46680	22.3
782.46118	27.7
896.79572	5.5
898.51770	6.3
913.51697	12.7
914.52423	22.2
923.49329	8.8
924.50745	17.0
925.51160	54.4
926.51331	100.0
927.51831	7.5
942.52277	16.8
943.52344	48.9
944.52545	64.9
985.52136	8.9
986.53723	16.2
987.55084	6.7
1045.56519	4.9
1046.55469	53.2
1047.52661	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	1043.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99320	3.6
73.02955	7.0
75.00882	0.4
81.03472	0.6
83.01400	8.8
83.05050	0.2
84.01727	0.1
84.02187	0.3
85.02963	25.1
86.00106	1.6
86.00568	0.1
86.03297	0.5
87.00890	2.8
87.04543	0.2
89.02458	14.4
90.02827	0.2
93.03474	0.3
95.01407	2.9
95.05000	0.1
97.02969	2.5
99.00906	3.1
99.04529	0.3
100.01208	0.1
101.02461	31.9
102.02792	0.6
103.04031	2.6
107.05059	0.1
109.02982	0.8
111.00211	0.1
111.00907	0.5
112.01677	0.7
113.02472	16.6
114.02784	0.3
115.04038	0.4
116.92872	0.5
119.03529	3.0
119.04157	0.1
121.02975	0.3
123.04543	0.2
123.08189	0.4
125.02475	2.1
126.22446	0.1
127.04021	0.7
129.01996	0.2
131.03529	26.6
132.03860	0.5
137.02448	0.7
139.04030	0.2
141.02011	0.1
142.02759	0.2
143.03528	3.6
145.05072	0.4
149.02481	0.3
149.04584	1.7
150.02988	0.1
151.04103	0.1
155.03542	0.4
159.03015	0.5
161.02475	0.2
161.04576	2.5
163.06158	0.5
167.03519	0.6
179.03517	0.2
179.05655	0.7
185.04570	1.0
191.05634	2.2
233.06633	1.0
257.06403	0.1
259.08163	0.3
287.07758	0.3
289.09308	1.2
289.54999	0.1
293.08792	0.3
315.23325	0.1
317.24899	2.5
318.25082	0.2
321.08865	0.1
359.25894	0.3
371.25793	0.8
373.11029	0.2
389.27188	0.7
423.32739	0.4
435.32770	0.2
453.34222	0.3
455.31628	0.5
469.33142	0.4
471.34769	0.4
479.31549	0.1
485.33347	0.2
513.36169	0.1
541.35138	0.3
567.36963	0.6
583.36987	0.8
603.39136	2.2
604.39581	0.3
647.38519	0.5
649.39795	0.7
650.38910	0.2
749.45135	20.2
750.45447	3.1
765.44604	1.3
766.44293	0.2
775.43390	0.1
793.44269	0.5
794.44702	0.1
795.45831	2.6
796.45740	0.6
811.44769	0.5
837.46918	0.4
838.46680	0.1
853.45941	0.2
893.49390	7.5
894.49738	1.7
897.48218	0.8
911.50403	100.0
912.50745	20.4
939.49805	4.6
940.50128	1.3
957.51105	4.1
958.51685	0.9
999.52045	2.7
1000.52533	0.7
1043.54614	84.5
1044.54871	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	0.4
73.02960	1.1
81.03467	0.6
83.01408	0.5
83.05009	0.3
85.02962	3.5
86.00079	0.2
87.00892	2.4
87.04546	0.3
89.02451	0.9
89.03983	0.2
93.03474	1.5
94.54475	0.2
96.96016	0.3
97.02974	0.6
99.00909	0.3
99.04559	0.5
101.02467	2.5
103.04064	0.4
106.78754	0.2
109.02969	0.6
113.02473	0.4
116.92876	0.4
117.03486	26.6
118.03818	1.0
119.05047	85.6
120.05373	3.0
121.02953	0.4
122.47866	0.2
125.02474	0.9
127.03985	1.1
129.05711	0.2
131.03551	1.4
132.37334	0.2
133.02998	0.2
135.04573	0.3
137.02553	0.3
143.03539	0.2
145.02977	58.1
146.03328	2.5
147.04536	0.5
147.08141	0.3
154.06245	0.3
154.27380	0.2
162.69429	0.2
163.04033	67.7
164.04381	2.8
199.04005	0.2
205.05122	0.3
209.11763	0.4
291.08698	0.3
309.20724	0.4
397.13898	0.3
453.36932	0.2
473.36301	1.1
474.36371	0.3
515.33698	0.7
577.28296	0.2
751.47485	0.2
754.97137	0.2
785.90118	0.2
879.52069	0.5
897.51349	0.4
917.18811	0.2
1043.56128	100.0
1044.56384	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	3.2
73.02950	7.0
75.00887	0.4
81.03467	0.8
83.01393	9.0
83.05035	0.3
84.01711	0.1
84.02172	0.3
85.02958	24.9
86.00109	1.3
86.03310	0.4
87.00887	3.1
87.04534	0.3
89.02452	15.4
91.01906	0.1
93.03461	0.3
95.01394	3.3
96.99313	0.1
97.02962	2.7
99.00892	2.8
99.04533	0.3
101.02454	31.3
102.02805	0.5
103.04019	2.4
108.75216	0.1
109.02980	0.9
111.00883	0.6
112.01701	0.9
113.02464	16.4
114.02800	0.3
115.04027	0.4
116.92860	0.4
117.01991	0.1
119.03526	3.0
121.02972	0.3
123.04585	0.1
123.08185	0.4
124.01645	0.2
125.02461	2.6
127.04014	0.9
129.01990	0.4
131.03519	25.9
132.03864	0.5
135.04573	0.2
137.02480	0.9
139.04031	0.1
143.03513	3.6
145.05113	0.5
149.02507	0.4
149.04575	1.8
151.04008	0.1
155.03528	0.4
159.03041	0.5
161.02530	0.1
161.04575	2.7
163.06151	0.6
167.03517	0.8
179.03571	0.3
179.05586	0.6
185.04590	1.0
191.05614	2.8
205.07292	0.1
209.04672	0.3
233.06648	1.2
259.08307	0.4
267.33972	0.1
287.07758	0.2
289.09280	1.5
293.08777	0.3
315.23389	0.2
317.24884	2.5
318.25040	0.2
321.08554	0.1
329.24841	0.2
331.10349	0.1
359.25946	0.2
371.25854	0.9
373.11179	0.2
389.26892	0.6
407.86066	0.1
414.15585	0.1
423.32745	0.3
453.34305	0.3
455.31744	0.8
456.31805	0.2
469.33072	0.2
471.34833	0.5
487.34537	0.2
531.33575	0.1
541.35712	0.2
567.36810	0.6
583.36371	0.8
603.38983	2.0
604.39539	0.3
647.38074	0.3
649.39722	0.8
749.45148	21.4
750.45422	3.4
765.44696	1.5
766.44513	0.3
775.43536	0.2
793.44305	1.0
794.44867	0.2
795.45599	2.8
796.46490	0.6
811.45300	0.5
812.44879	0.1
837.47125	0.5
853.46149	0.4
893.49323	8.3
894.49658	1.7
897.48938	0.8
911.50348	100.0
912.50690	20.9
939.49719	5.6
940.49921	1.1
957.51068	4.4
958.51105	1.5
999.52063	3.5
1000.52386	0.8
1043.54541	80.8
1044.54810	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	1043.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	3.8
73.02953	8.1
75.00878	0.8
79.01883	0.4
81.03473	2.8
83.01398	19.4
83.05027	0.9
84.01708	0.3
84.02172	0.4
85.02961	23.1
86.00122	1.9
86.03287	0.3
87.00887	7.1
87.04528	0.7
89.02457	9.9
93.03467	3.6
95.01404	8.7
95.05056	0.5
96.99327	0.8
97.02967	13.3
99.00902	4.5
99.04504	1.3
99.42123	0.3
101.02457	24.6
102.02802	0.4
103.04021	4.2
105.03513	0.3
107.05048	0.7
108.02184	0.4
109.02975	6.8
111.00894	2.1
111.04550	1.0
112.01698	1.9
113.02470	29.6
114.02754	0.5
115.04037	2.2
119.03523	2.6
119.05006	0.5
121.02975	3.4
123.00890	0.7
123.04543	1.2
123.08189	0.6
124.01716	0.5
125.02469	13.0
127.04032	2.8
129.01944	0.7
131.03514	2.1
133.02975	0.3
135.04550	0.6
137.02475	8.6
139.04024	1.4
139.38844	0.3
140.27077	0.3
141.01926	1.3
142.02721	0.8
143.03528	22.1
144.03857	0.7
145.05078	1.4
149.02472	4.0
151.04062	1.3
155.03517	4.0
161.02446	0.7
161.04573	10.6
162.04886	0.4
163.04082	0.6
163.06180	3.0
165.01935	0.7
167.03531	8.0
168.03845	0.3
179.03508	2.9
179.05586	0.7
185.04572	11.6
186.04939	0.3
191.03516	0.7
205.07126	0.5
209.04572	2.0
227.05550	0.5
233.06651	1.0
239.05739	0.4
243.08746	0.4
257.06604	0.5
261.09744	0.4
269.06720	0.4
284.03925	0.3
287.07813	1.9
289.09299	18.7
290.09650	0.8
295.08185	0.9
313.09576	0.3
327.23431	0.5
329.24863	1.0
331.10397	1.4
352.79138	0.3
373.11392	2.4
418.05292	0.3
423.32751	0.8
453.33832	1.4
469.33133	0.8
471.35287	0.3
523.33130	0.3
567.36823	2.6
568.37512	0.5
597.38007	0.4
633.40021	7.1
634.40540	1.4
639.79193	0.3
668.35583	0.3
759.43182	1.0
761.45386	0.6
762.45502	0.3
777.44574	3.5
778.45300	0.7
779.46167	29.9
780.46472	5.2
795.45837	1.8
813.42621	0.6
821.46912	2.4
822.48029	0.5
887.48444	0.7
905.49493	1.1
911.50659	1.5
923.50372	100.0
924.50745	21.5
941.51587	59.0
942.51843	12.8
983.52551	21.4
984.52917	5.4
1043.54358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	6.2
73.02953	17.2
75.00898	0.7
81.03465	4.2
83.01396	32.3
83.05030	1.2
84.02173	0.7
85.02962	39.8
86.00110	1.3
86.03278	0.8
87.00882	14.4
87.04528	1.6
89.02454	26.0
93.03469	4.3
95.01402	16.5
95.05024	1.1
96.99340	1.7
97.02968	21.0
99.00890	9.0
99.04537	1.7
101.02460	51.3
102.02800	1.0
103.04030	6.3
107.05042	0.6
108.02190	1.2
109.02212	0.5
109.02970	10.2
112.01726	0.9
113.02470	54.6
114.02811	1.2
115.04041	2.1
119.03522	7.4
119.04942	0.7
121.02952	5.3
123.00908	0.8
123.04564	2.0
124.01655	1.0
125.02462	22.2
126.02838	0.8
127.04046	5.0
129.01970	0.6
131.03516	3.0
133.02991	0.5
135.04507	0.9
137.01421	0.9
137.02464	12.8
139.04039	2.0
141.01979	1.9
142.02750	1.0
143.03525	42.5
144.03879	0.9
145.02951	0.7
145.05072	2.3
145.64902	0.5
149.02467	5.5
149.04514	0.8
151.04004	2.1
155.03539	7.1
159.02960	0.7
161.02422	1.3
161.04578	16.6
162.04924	0.4
163.04031	0.8
163.06137	4.5
165.01924	0.8
167.03516	13.9
168.03831	0.4
175.04027	0.5
179.03494	6.3
179.05600	2.7
181.05043	0.9
185.04573	17.5
186.04858	0.6
191.03513	1.0
197.04578	0.4
205.07216	1.3
209.04550	3.5
217.07182	0.4
227.05664	0.9
233.06616	1.2
239.05635	0.8
247.08241	0.5
251.29007	0.5
257.06650	1.3
269.06445	0.5
271.08167	0.5
275.07700	1.0
287.07739	4.5
288.08002	0.5
289.09293	23.6
290.09723	1.3
295.08182	1.0
297.22095	0.6
305.08850	1.0
313.21719	0.6
316.08789	0.4
331.10321	2.5
340.36258	0.4
343.10324	0.6
373.11414	3.9
391.30063	0.8
439.32208	0.4
453.30133	1.4
455.25357	0.7
455.31674	13.5
455.37979	0.9
456.31924	2.2
467.31610	4.9
468.31747	0.6
485.32803	1.1
487.35339	5.5
488.31384	0.5
499.30496	0.5
531.33179	3.0
557.34613	0.5
565.34924	0.4
583.36414	14.1
584.36493	1.8
613.37384	0.7
631.38812	1.4
633.38446	0.4
649.39636	15.9
650.40057	3.3
775.42914	2.8
776.43030	0.6
777.44043	1.1
793.44092	15.1
794.45129	3.2
795.45624	60.6
796.46039	13.7
811.45111	8.6
812.46033	2.1
837.46765	5.8
838.46954	1.6
853.46167	11.0
854.46136	2.1
861.47192	0.6
865.46698	1.0
889.63812	0.5
911.50610	0.6
921.49603	0.6
939.49817	100.0
940.50287	31.4
957.51056	77.4
958.51300	21.0
958.71063	1.0
999.52032	91.0
1000.52448	28.9
1017.97351	0.4
1043.54651	1.3
1044.94958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99314	3.2
73.02950	6.3
74.03316	0.1
75.00883	0.4
81.03456	0.4
83.01396	7.2
83.05042	0.2
84.01726	0.2
84.02180	0.4
85.02959	22.4
86.00105	1.3
86.03301	0.3
87.00887	2.7
87.04527	0.2
89.02454	13.5
90.02762	0.1
93.03482	0.1
95.01399	2.1
95.05067	0.1
97.02960	1.6
99.00898	2.9
99.04530	0.3
101.02456	28.3
102.02799	0.4
103.04017	2.0
109.02956	0.4
111.00906	0.3
112.01694	0.8
113.02465	14.0
114.02799	0.3
115.04024	0.3
119.03520	2.4
119.04984	0.2
120.50990	0.1
121.02921	0.1
123.00886	0.1
123.04545	0.1
123.08188	0.6
125.02463	1.1
127.03999	0.6
129.01953	0.3
131.03520	25.0
132.03876	0.5
135.04494	0.2
137.02467	0.2
141.01978	0.1
143.03514	1.7
145.05061	0.3
147.04535	0.1
147.08186	0.1
148.08934	0.1
149.02568	0.1
149.04568	1.7
159.03018	0.4
161.02545	0.5
161.04578	2.2
163.04048	0.2
163.06100	0.4
166.73830	0.1
167.03450	0.1
175.04059	0.1
179.03592	0.2
179.05600	0.5
191.05637	2.8
209.12025	0.1
233.06676	1.2
259.08249	0.2
289.09219	0.1
293.08798	0.4
303.05133	0.1
311.09814	0.2
313.21664	0.1
315.23349	0.2
327.23322	1.0
328.23380	0.1
329.24875	1.4
347.25836	0.3
373.23773	0.2
423.32776	1.3
424.32837	0.1
425.34180	0.4
433.31140	0.2
435.32785	0.4
453.33810	1.7
454.34250	0.2
469.33170	0.3
477.33499	0.1
513.35919	0.1
515.34143	0.1
541.35205	0.2
555.36798	0.2
556.37836	0.1
567.36725	0.5
568.36505	0.1
603.38977	2.1
604.39240	0.3
647.38123	0.3
747.43518	0.1
749.45099	21.2
750.45453	3.7
765.44672	1.8
766.44666	0.2
779.45996	0.3
795.45709	0.1
863.47662	0.1
879.47858	0.1
893.49329	8.7
894.49701	2.1
897.48584	0.8
898.48468	0.2
911.50342	100.0
912.50665	22.8
923.51025	0.8
924.50830	0.2
941.51349	0.7
942.52557	0.2
983.52966	0.3
999.50464	0.4
1000.51251	0.1
1043.54541	75.4
1044.54846	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01714	1.4
72.99311	2.8
73.02956	6.9
83.01417	4.9
84.01713	1.2
85.02962	13.6
86.00135	1.6
86.03314	2.1
87.00881	1.6
87.04504	1.0
89.02437	4.2
98.19844	1.1
99.00922	1.1
101.02462	20.4
102.02802	3.2
103.02867	2.3
103.04018	3.4
113.02422	1.7
117.03465	2.2
119.05049	4.1
125.02414	1.1
131.03522	18.1
132.03857	3.6
133.03966	2.0
145.02969	2.9
145.05106	1.1
154.06233	2.0
160.17059	0.9
161.13509	1.0
163.04008	3.8
173.26817	0.8
193.02255	0.9
243.03069	0.9
349.35339	0.9
569.36902	1.1
595.85858	1.0
751.45886	2.6
752.46417	2.0
793.46606	1.5
794.47711	1.2
873.43530	1.1
878.50476	5.3
879.50494	16.2
880.50623	15.1
896.51526	2.0
897.51862	7.5
898.51624	8.1
920.51202	4.6
921.51776	18.0
922.51825	28.0
923.51343	2.3
938.52271	3.8
939.52344	18.2
940.53021	33.3
941.52625	2.1
980.54028	6.0
981.33594	1.4
981.53717	33.5
982.54004	100.0
983.53625	7.5
1042.55078	5.2
1043.53052	1.7
1047.10510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01745	2.3
72.99330	6.1
73.02956	7.0
76.82386	1.4
78.97586	1.5
81.03481	1.9
83.01407	6.2
85.02964	16.8
86.00129	1.6
86.03318	1.9
87.00900	3.5
88.98815	6.2
89.02464	5.4
99.04510	1.7
101.02459	26.1
102.02799	2.5
103.04018	3.1
109.02959	1.7
113.02462	2.9
119.05033	2.7
125.02474	4.4
127.38599	1.6
129.01988	1.6
131.03526	20.0
132.03853	3.6
137.02448	2.1
151.04083	1.7
211.09641	1.6
223.13370	2.8
289.07309	1.9
316.57483	1.6
326.48141	1.8
516.34314	2.2
750.45520	2.9
751.45819	2.3
752.45984	2.6
794.47028	2.1
878.50275	5.3
879.50598	20.3
880.50647	21.6
895.50513	2.1
896.50507	4.5
897.51367	5.8
898.51794	9.6
920.51306	5.9
921.51318	16.3
922.51801	31.5
923.51074	4.1
938.52350	4.4
939.52484	19.4
940.53076	33.1
941.53113	2.4
979.52863	2.4
980.53748	5.0
981.53772	30.5
982.54016	100.0
983.54022	11.4
1042.51221	2.3
1043.49414	5.9
1051.06189	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	1039.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
72.80405	0.3
72.99318	3.4
73.02956	6.1
75.00897	0.4
81.03450	0.7
83.01398	4.9
83.05052	0.5
85.02962	13.7
86.00110	2.0
87.00881	1.6
88.98829	1.1
89.02456	4.9
95.01383	0.3
97.02973	0.7
99.00905	1.3
99.04526	0.5
99.21634	0.3
101.02458	20.9
101.53568	0.3
102.02776	0.4
103.04028	1.1
109.02967	0.8
113.02461	1.9
116.92880	0.3
119.03510	1.0
123.08193	0.4
127.04047	1.2
131.03525	20.6
132.03845	0.6
143.03525	0.4
145.05066	1.1
147.08145	0.4
152.87924	0.3
154.06252	0.7
163.06146	0.5
317.24823	2.1
359.25812	0.3
371.26041	0.4
389.27032	1.2
449.29376	0.5
453.33646	0.7
471.34903	1.1
487.34161	0.4
515.33557	0.5
603.39032	2.0
731.44055	1.0
749.45416	3.4
750.45624	0.7
773.45239	0.9
791.46387	1.5
792.47827	0.4
833.48254	0.4
877.49854	24.9
878.50287	4.6
895.50916	12.0
896.51538	2.7
919.50854	35.0
920.51300	8.2
937.51935	44.6
938.52222	11.8
979.53101	100.0
980.53406	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	1039.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01740	0.2
72.99314	3.5
73.02952	7.7
75.00878	0.5
81.03474	0.8
83.01395	5.4
83.05032	0.5
84.02183	0.2
85.02962	17.1
86.00105	2.2
86.03282	0.3
87.00890	1.5
87.04527	0.4
88.98815	4.2
89.02457	5.5
95.01400	0.7
97.02982	0.8
99.00911	1.2
99.04533	0.7
101.02459	22.4
102.02801	0.4
103.04023	3.6
108.30579	0.2
108.71269	0.2
109.02975	0.9
111.00911	0.4
112.01682	0.4
113.02467	2.1
115.04050	0.2
119.03520	1.2
122.79913	0.2
123.08207	0.5
125.02465	0.5
127.04007	1.2
131.03522	21.9
132.03856	0.4
143.03535	0.5
145.05124	1.3
154.06189	0.3
163.06151	1.1
229.55592	0.2
259.08240	0.2
264.65247	0.2
277.04068	0.2
304.15948	0.2
317.24872	2.0
318.25220	0.3
371.25900	0.5
389.27008	0.7
400.55298	0.2
423.32529	0.5
435.32703	0.3
453.33847	0.5
471.34802	0.8
472.35214	0.2
515.34076	0.5
585.37695	0.2
603.39020	2.1
604.39478	0.5
647.38007	0.3
712.03833	0.2
731.43854	1.1
749.45209	3.9
750.45148	0.8
773.45056	0.8
791.46228	2.2
792.46643	0.5
793.44580	0.4
833.47992	0.3
859.48706	0.7
875.48163	0.5
877.49927	27.1
878.50372	6.0
893.49298	2.6
894.49664	0.5
895.50916	12.1
896.51086	2.2
902.35272	0.2
911.51447	0.8
919.50879	37.7
920.51141	9.5
920.69733	0.3
935.49835	0.5
937.51935	43.0
938.52216	11.2
953.52173	0.9
954.51788	0.2
979.53088	100.0
980.53442	27.5
1009.02844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01700	0.2
72.99315	5.2
73.02953	8.0
75.00874	0.6
79.01908	0.1
81.03471	3.3
83.01398	9.1
83.05067	0.9
84.01709	0.2
84.02174	0.4
85.02961	29.7
86.00111	1.7
86.03304	0.5
87.00475	0.1
87.00887	6.7
87.04526	0.8
88.98818	0.6
89.02455	6.8
93.03487	1.1
95.01405	4.6
95.05026	0.4
96.01745	0.2
96.96030	0.3
97.02964	5.6
99.00893	3.8
99.04531	3.4
100.01634	0.2
101.02457	23.3
102.02812	0.4
103.04027	3.2
103.04699	0.2
105.03475	0.2
107.05047	0.7
108.02187	0.4
109.02971	3.6
111.00888	2.3
111.04528	0.8
112.01681	2.5
113.02469	25.3
114.02750	0.3
115.04041	0.6
119.01396	0.2
119.03532	2.0
119.05051	0.4
121.02969	0.7
123.00896	0.5
123.04570	0.9
123.08172	0.6
124.01649	0.8
125.02467	6.8
127.04031	4.3
129.01950	0.3
131.03525	18.5
132.03824	0.2
133.02983	0.3
134.03760	0.3
135.04572	0.7
136.01634	0.3
137.02473	4.6
137.06236	0.2
139.04059	0.7
141.01964	0.5
143.03520	3.4
145.03006	0.2
145.05092	2.0
147.04544	0.3
149.02481	0.4
149.06133	0.2
150.03201	0.2
151.04054	1.2
153.02003	0.2
153.05592	0.2
154.09413	0.2
155.03535	4.2
159.03064	0.2
161.04552	1.4
163.06143	2.5
165.05598	0.4
167.03528	0.5
169.05087	0.2
175.02740	0.2
175.03944	0.8
177.05553	0.4
179.03514	1.5
179.05060	0.2
179.05582	0.2
181.04907	0.2
185.04573	0.2
191.03433	0.2
193.04985	0.2
195.06805	0.2
197.04617	0.4
203.03604	0.2
203.05476	0.2
205.07193	0.3
217.07187	0.3
221.04556	0.4
231.08759	1.1
233.06714	1.6
241.07175	0.7
257.06613	0.7
259.08212	7.7
260.08649	0.3
275.07578	0.2
276.17416	0.1
277.09134	0.1
301.09375	0.7
305.56314	0.2
315.23416	0.4
317.24930	2.6
318.25073	0.3
327.23151	0.2
343.10626	0.2
359.25839	0.3
371.25992	0.6
389.27042	0.8
423.32773	0.4
453.33795	0.3
469.33502	0.8
471.34732	0.8
515.33679	0.5
567.36859	1.5
585.38031	0.2
603.38922	2.6
604.39575	0.3
629.37756	0.2
635.40039	0.2
645.40076	0.3
647.38055	0.4
669.40002	1.0
670.40948	0.2
673.39777	0.2
681.40253	0.4
688.81537	0.2
693.40344	0.6
699.41779	0.5
711.41736	0.2
713.43121	0.4
729.42450	1.3
730.41748	0.2
731.44104	1.6
732.43262	0.3
747.43445	4.0
748.43872	0.6
749.45129	22.3
750.45288	4.1
765.44525	1.2
766.43658	0.3
773.42175	0.4
791.46130	1.6
792.47137	0.3
807.45319	0.7
815.46558	0.2
819.45197	0.4
845.47284	1.8
846.48749	0.2
857.47406	2.6
858.47809	0.6
875.48340	27.2
876.48694	5.8
889.46393	0.2
893.49335	100.0
894.49689	21.0
911.50421	18.3
912.50824	4.2
935.50372	18.6
936.50586	5.1
953.51563	39.2
954.51794	9.7
995.52490	12.4
996.52863	3.7
1009.55811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01730	0.4
72.99313	4.6
73.02949	7.5
74.03275	0.2
75.00880	0.5
81.03465	3.0
81.03915	0.2
83.01396	9.6
83.05054	0.5
84.02189	0.6
85.02961	27.9
86.00118	1.7
86.03290	0.5
87.00883	6.8
87.04530	0.5
88.98817	4.7
89.02459	6.9
93.03491	1.2
95.01398	4.4
95.05042	0.3
97.02966	6.1
98.03307	0.2
99.00900	3.8
99.04533	3.4
101.02457	23.7
103.04016	3.3
105.03516	0.2
106.29542	0.2
107.05069	0.6
108.02190	0.4
109.02969	3.8
111.00910	2.6
111.04536	0.8
112.01680	2.2
113.02467	25.0
114.02740	0.2
115.00419	0.2
115.04018	0.7
116.92838	0.3
119.01328	0.2
119.03525	1.9
119.05019	0.6
121.02995	0.7
123.00909	0.5
123.04584	0.9
123.08154	1.1
124.01691	0.8
125.02470	6.1
127.04041	4.5
129.01981	0.3
131.03526	18.5
132.03879	0.2
133.02980	0.2
135.04575	0.7
137.02469	4.0
139.04018	0.7
141.01945	0.5
142.02771	0.2
143.03517	3.7
145.03055	0.2
145.05089	2.0
147.04543	0.4
147.08173	0.5
149.02438	0.3
149.06096	0.2
150.03215	0.2
151.04063	0.8
154.06277	0.5
155.03531	3.4
159.02982	0.4
161.04572	1.5
163.04054	0.3
163.06133	1.7
165.02016	0.2
165.05592	0.3
167.03534	0.6
169.05067	0.3
175.04018	0.6
177.05635	0.4
178.02658	0.2
179.03534	1.4
179.05695	0.3
185.04575	0.3
193.05072	0.2
195.06770	0.2
197.04640	0.3
203.03627	0.3
203.05510	0.3
209.11795	0.3
217.07204	0.2
221.04575	0.4
231.08710	1.1
233.06667	1.5
236.45776	0.2
239.05626	0.2
241.07204	0.5
257.06619	0.8
259.08203	7.3
260.08438	0.3
295.73633	0.2
301.09259	0.6
315.23151	0.3
317.24899	0.3
327.23352	1.2
329.24857	0.8
330.25214	0.2
343.10284	0.3
347.25778	0.4
371.25906	0.2
397.12265	0.2
403.12537	0.2
423.32431	1.3
425.34448	0.4
433.31305	0.3
435.32675	0.5
453.33759	1.8
461.29105	0.2
469.33426	0.7
471.34903	0.3
519.34259	0.2
541.35162	0.3
567.36890	1.6
585.37469	0.3
603.39191	2.5
604.39594	0.2
635.39661	0.2
645.40253	0.3
647.38489	0.6
663.38452	0.4
669.40955	1.0
681.40302	0.2
693.39984	0.6
699.41840	0.3
713.42865	0.3
729.42255	0.8
731.43701	1.5
732.44556	0.3
747.43445	3.4
748.44727	0.4
749.45166	21.5
750.45551	4.0
765.44946	1.5
766.44904	0.4
773.41272	0.3
775.42749	0.3
791.46100	1.6
792.46179	0.4
807.45459	0.6
815.45746	0.3
819.45770	0.6
827.46710	0.3
845.47272	1.6
846.48157	0.6
857.47125	2.4
858.47455	0.6
863.47876	0.2
875.48334	25.3
876.48755	5.3
877.49707	0.3
889.47302	0.2
893.49329	100.0
894.49701	20.8
906.99988	0.2
911.50348	17.1
912.50769	3.8
919.49255	0.3
935.50330	16.4
936.50714	3.5
937.50482	0.5
953.51526	36.2
954.51831	9.4
979.53656	0.6
980.53613	0.2
995.52454	8.2
996.52893	2.5
1009.53961	0.3
1039.55664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01714	0.6
72.99317	2.5
73.02953	6.5
75.00873	0.9
81.03482	0.4
83.01390	4.2
84.02172	0.5
85.02962	14.8
85.06585	0.2
86.00114	0.8
87.00889	5.8
87.04529	2.0
88.00401	0.8
88.01225	0.4
88.98818	89.3
89.02453	26.6
89.99149	1.0
90.02803	0.3
95.01416	3.2
95.05059	0.6
97.02966	1.7
98.20647	0.7
99.00898	3.4
99.04519	0.3
101.02457	25.9
101.06079	0.4
102.02760	0.4
103.04037	1.1
105.01944	0.4
109.02992	0.4
111.00925	0.7
111.04564	0.3
112.01675	0.8
113.02470	18.3
113.06104	0.9
114.02775	0.3
115.04057	0.5
119.03518	8.4
119.04960	0.5
125.02447	2.8
127.03968	0.3
128.03593	0.4
129.01978	0.9
129.05693	0.4
131.03514	4.7
132.02194	0.4
133.02994	0.6
134.03770	0.7
135.04539	0.7
137.02411	0.3
139.00356	0.3
141.74281	0.2
142.06606	0.4
143.03526	3.6
143.04573	0.6
145.02983	0.2
149.02380	0.5
149.04504	0.6
149.06131	0.4
150.03227	0.6
151.46010	0.2
159.03012	1.7
160.01692	1.1
161.02557	1.8
161.04575	10.7
162.02916	0.3
162.04793	0.4
163.04008	0.3
165.01955	0.3
165.05589	0.9
167.03549	0.4
175.02684	0.2
175.03981	1.3
178.02719	0.3
179.05634	26.9
180.04498	0.2
180.05974	1.0
189.21626	0.2
193.05099	0.7
195.06728	0.4
203.05884	0.2
204.06580	0.3
205.07202	0.6
209.11707	0.3
216.76605	0.2
221.04500	0.6
221.06651	7.7
229.92693	0.4
263.07703	5.9
263.10324	0.4
264.08121	0.3
292.11899	0.3
305.08847	1.8
323.09955	1.1
329.13867	0.3
341.10782	0.3
343.22778	0.3
343.26544	0.6
355.26517	0.9
357.27832	0.4
369.27911	0.5
373.27725	0.7
379.26416	0.4
381.28146	0.5
399.29224	1.5
400.29532	0.3
401.13126	0.9
429.30457	0.4
485.15097	0.7
487.34116	0.9
488.34509	0.5
489.34818	0.3
503.16165	0.3
505.35428	2.4
506.35739	0.3
561.34302	0.7
601.37207	0.4
649.40253	0.8
667.40625	0.7
697.24896	0.4
720.90656	0.3
765.45001	0.4
795.45819	3.3
796.46771	0.7
813.46558	6.1
814.47296	1.4
817.42706	0.3
829.46552	1.0
830.46594	0.3
945.50439	1.2
946.51208	0.3
947.50952	0.3
957.50909	4.1
958.50580	1.3
973.41473	0.3
975.52063	100.0
976.52368	29.4
1035.51428	2.0
1036.50220	1.1
1069.68481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01704	0.2
72.99315	1.9
73.02954	4.2
75.00879	0.4
78.98412	0.2
80.48032	0.1
81.03449	0.2
81.89065	0.1
83.01395	4.1
83.05027	0.3
84.01704	0.1
84.02182	0.2
85.02960	10.3
86.00092	0.6
86.03291	0.1
87.00883	2.3
87.04527	2.1
88.98816	1.0
89.02452	6.9
95.01396	2.9
95.05035	0.5
97.02966	2.7
98.19871	0.2
99.00891	1.9
99.04520	0.3
101.02458	15.0
101.06099	0.5
102.02814	0.4
103.04027	1.7
103.11245	0.1
109.02962	0.2
111.00875	0.4
111.04529	0.5
112.01691	1.1
113.02465	11.6
113.06094	0.5
114.02786	0.2
115.04034	0.4
119.03523	2.1
119.05006	0.3
122.03655	0.2
124.01658	0.3
125.02462	3.8
127.04028	0.4
129.01932	0.3
129.05586	0.6
129.19418	0.2
131.03532	0.6
133.02969	0.4
134.03720	0.2
135.04605	0.3
137.02480	0.3
141.32753	0.1
143.03522	5.1
145.02948	0.5
145.05040	0.4
147.04530	0.3
149.02435	0.2
150.03236	0.3
159.02911	0.2
160.01660	0.3
161.02588	1.0
161.04573	6.5
162.04959	0.2
163.04041	0.2
163.06094	0.3
165.01912	0.2
165.05548	0.5
167.03503	0.2
175.03944	0.3
179.03531	0.2
179.05638	0.4
190.02621	0.1
192.26668	0.1
193.05103	0.3
195.06711	0.2
204.06673	0.4
205.04994	0.2
205.07007	0.1
227.03433	0.2
289.09369	0.3
309.07523	0.2
343.26395	0.5
355.26453	0.5
357.27850	0.2
369.28061	0.4
373.27539	0.4
375.29047	0.3
381.28293	0.2
385.27747	0.2
397.27539	0.1
399.29254	0.8
411.29019	0.2
422.95895	0.2
429.29916	0.3
487.34189	0.3
488.34720	0.2
505.36307	1.3
517.31299	0.3
531.33124	0.2
535.32574	0.3
543.32928	0.2
555.22150	0.2
561.34412	1.3
563.32574	0.2
579.35565	0.5
583.36768	0.2
601.36963	0.8
619.38702	0.2
631.38757	0.5
649.39423	0.9
650.39893	0.2
667.40717	1.7
668.41431	0.3
769.20538	0.2
783.44971	0.2
784.47595	0.2
795.45618	4.4
796.46552	0.7
811.45587	0.4
812.46008	0.2
813.46625	12.8
814.46851	2.3
817.42407	0.4
829.46027	1.0
848.70776	0.2
957.51056	5.5
958.51550	1.0
975.52063	100.0
976.52374	21.1
1035.35803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01719	0.3
72.99316	2.2
73.02957	3.9
75.00898	0.2
81.03465	0.5
83.01398	8.7
84.02171	0.2
85.02966	11.6
86.00127	0.2
86.03284	0.2
87.00892	2.3
87.04534	0.4
88.98815	1.2
88.99300	0.2
89.02461	10.3
95.01405	3.4
97.02972	2.7
99.00900	2.4
99.04552	0.3
101.02465	16.8
102.02834	0.3
103.04040	1.9
109.02966	0.3
111.00898	0.3
113.02474	13.4
114.02778	0.3
115.04028	0.5
119.03533	3.0
119.05025	0.2
123.04527	0.2
125.02467	3.5
126.02863	0.2
127.04040	0.2
129.01945	0.3
131.03555	0.8
133.03029	0.2
135.04544	0.2
137.02425	0.3
143.03534	7.3
145.05092	0.2
149.73563	0.1
152.76582	0.1
154.32304	0.1
159.03043	0.4
161.02449	0.4
161.04584	6.1
163.06160	0.4
167.03558	0.3
167.80496	0.1
179.05652	1.1
195.79596	0.1
205.07126	0.2
233.06506	0.2
289.09213	0.4
339.09134	0.2
370.33386	0.2
459.12891	0.2
469.29767	0.3
471.31250	2.4
472.31516	0.3
483.31418	1.1
501.32211	0.4
503.34793	1.2
504.34995	0.2
547.32697	0.8
573.34827	0.3
599.35889	1.0
665.39142	5.6
666.39294	1.0
811.45087	13.1
812.45404	2.5
827.44531	5.1
828.45081	1.0
973.50568	100.0
974.50879	25.4
989.51758	0.2
1033.40576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01730	0.3
72.99313	2.6
73.02953	4.0
75.00867	0.6
75.14601	0.2
81.03466	0.4
83.01397	8.6
85.02960	12.2
86.00096	0.4
86.03262	0.4
87.00894	2.7
87.04520	0.2
88.98817	24.0
89.02452	11.8
89.99152	0.3
95.01398	4.2
95.22350	0.2
97.02969	2.1
99.00887	2.8
99.04523	0.3
101.02458	19.8
102.02822	0.5
103.00364	0.5
103.04025	1.9
103.08707	0.2
109.02961	0.3
111.00888	0.4
112.01685	0.3
113.02467	14.1
114.02788	0.5
115.04028	0.8
116.92910	0.2
118.97311	0.2
119.03527	3.3
119.04946	0.2
121.03013	0.2
125.02463	4.3
126.02843	0.2
129.01978	0.3
131.03502	0.9
133.02979	0.4
134.03795	0.3
137.02414	0.3
139.00439	0.2
143.03526	7.6
143.90361	0.2
144.03828	0.3
145.02966	0.3
145.05055	0.2
149.04562	0.3
159.03009	0.4
160.01662	0.4
161.02415	0.7
161.04587	6.6
162.04897	0.2
163.06175	0.5
165.05550	0.4
175.04019	0.3
179.05647	1.3
205.07072	0.4
289.09201	0.3
303.16138	0.2
305.03113	0.2
319.11044	0.2
383.12231	0.3
457.11130	0.2
469.29141	0.3
471.31137	2.4
472.31308	0.4
483.31247	1.0
487.34247	0.2
501.31992	0.3
503.29416	0.5
503.33722	0.9
547.32977	1.0
573.34247	0.3
599.36096	1.3
665.39044	5.2
666.39288	0.9
675.26868	0.2
811.45093	15.7
812.45447	3.4
827.44531	5.7
828.44849	1.6
929.49255	0.2
973.50519	100.0
974.50830	28.1
989.53009	0.4
1033.43469	0.8
1034.44714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71483	0.5
72.01714	0.5
72.99319	4.0
73.02955	6.6
75.00887	0.8
81.03461	1.6
83.01396	6.8
85.02962	21.0
86.00104	0.8
86.03297	0.9
87.00882	4.6
87.04527	4.1
88.98821	1.9
89.02459	7.3
93.03461	1.1
95.01408	3.1
96.95962	0.5
97.02972	2.9
99.00911	2.4
99.04543	2.2
99.92599	0.7
101.02461	19.5
102.02815	0.7
103.00370	0.7
103.04025	2.5
108.02235	0.6
109.02963	1.5
111.00887	1.7
112.01688	1.4
113.02472	19.0
114.02734	0.6
115.03996	0.6
116.92889	8.2
117.01933	1.0
119.03539	1.9
119.05035	1.1
121.02952	0.7
123.04563	0.6
125.02469	3.1
127.04018	2.6
129.01944	0.5
131.03532	15.4
132.03818	0.6
134.03847	0.4
135.04521	0.5
137.02463	2.6
137.06238	0.4
139.04095	0.4
143.03526	1.8
145.02977	0.4
147.04674	0.5
151.03999	0.4
151.79456	0.4
155.03564	2.4
160.01700	0.5
161.02437	1.2
161.04546	1.9
163.04099	0.7
163.06148	0.8
165.05595	0.7
167.03496	0.5
175.03949	0.6
179.03490	1.3
179.05661	0.8
181.12354	0.9
195.06705	0.5
207.06602	0.5
209.11893	0.5
221.06650	0.7
223.51912	0.4
225.11203	1.1
232.54710	0.4
233.06779	0.7
259.08191	3.3
281.07858	0.4
375.66479	0.4
381.27887	1.3
383.29547	1.6
399.29175	0.5
401.30652	8.4
402.30753	0.9
453.33646	1.4
456.07803	0.5
459.34738	2.7
471.34644	1.4
472.35529	0.4
487.30276	1.1
489.35690	1.7
533.34662	1.7
585.38037	1.3
591.39362	1.0
603.39166	1.2
621.39893	1.5
734.51703	0.4
747.43518	0.6
749.46155	2.0
765.44714	3.1
766.44989	1.3
767.46240	11.3
768.47083	2.0
783.45703	1.3
784.45117	0.5
785.40063	1.2
803.41534	0.7
809.47412	3.7
810.47015	0.9
881.49121	1.3
893.48682	3.0
894.49878	1.3
909.48816	0.8
910.49298	2.3
911.50360	100.0
912.50800	25.2
927.50024	2.0
928.50262	1.1
929.51434	40.2
930.51862	10.1
930.70831	0.6
945.51514	1.4
971.52612	45.4
972.52954	14.7
987.53052	2.0
988.52472	0.6
1031.44373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0039
Annotation	Malonic acid
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	2.0
70.28314	1.1
76.66035	0.3
98.20457	0.5
103.00386	5.7
107.10837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01382	100.0
60.01729	2.2
69.82131	0.3
70.01642	2.4
73.02960	4.8
75.00935	0.4
77.11969	0.3
80.85634	0.4
81.64609	0.3
98.19803	0.4
98.20422	1.0
103.00386	7.5
103.04047	1.5
109.32703	0.4
110.79993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70908	0.7
72.99317	6.2
73.02953	9.9
74.48109	0.4
75.00875	0.6
81.03460	1.8
83.01402	7.7
83.05026	1.1
83.15756	0.5
85.02961	25.6
86.00112	0.6
87.00877	4.4
87.04526	3.4
88.98801	3.1
89.02454	8.9
93.03468	1.1
95.01391	4.1
96.96031	1.0
97.02981	2.5
99.00909	3.8
99.04531	2.5
99.92601	9.1
100.92619	0.8
101.02460	23.1
102.02780	0.7
103.04021	2.5
107.05106	0.6
109.02946	2.4
111.00880	1.5
112.01675	2.2
113.02464	22.4
114.93417	1.0
116.92877	63.5
117.01958	7.2
117.37118	0.5
117.92889	3.0
119.03494	2.0
119.04979	0.6
121.02945	1.0
123.04508	0.6
125.02486	3.3
127.04023	2.6
131.03523	15.5
135.04550	0.7
137.02470	3.9
137.85106	0.6
139.00354	0.5
143.03516	2.4
145.03006	0.6
145.05168	1.1
151.04008	0.6
155.03535	3.4
161.02438	1.5
161.04553	1.4
163.04030	0.6
163.06180	0.7
164.70558	0.4
179.03491	0.6
179.05669	0.5
179.70650	0.7
208.67773	0.6
211.13271	0.8
259.08203	3.3
371.29355	0.7
381.27982	2.1
383.29391	1.4
398.95398	0.6
401.30576	10.2
402.31052	1.3
453.33456	1.9
459.34750	3.8
471.34747	1.9
479.30661	0.6
489.35892	1.3
533.34747	1.9
547.32690	0.9
585.38403	0.8
591.39252	1.8
603.39203	1.0
621.40326	1.5
625.36407	1.4
734.32690	0.5
747.43243	0.6
749.45282	2.3
765.44940	2.7
766.45288	0.7
767.46167	11.4
768.46881	2.0
769.40558	7.5
770.40863	1.6
783.45636	1.2
784.47180	0.9
787.41571	3.7
787.97852	0.5
809.47015	3.6
829.42883	3.6
881.50549	0.8
893.49274	5.9
894.50494	0.8
911.50372	100.0
912.50720	24.1
913.52209	1.1
929.51367	42.3
930.51776	9.9
953.51324	0.7
957.50940	0.7
971.52606	57.6
972.52808	16.9
987.56305	0.6
1031.49670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71139	1.6
72.99318	6.5
72.99676	1.0
73.02951	17.5
75.00879	2.7
81.03458	3.0
83.01403	12.3
83.05025	3.7
85.02962	45.4
86.00092	3.6
87.00883	12.7
87.04543	1.9
89.02460	22.6
95.01411	9.0
95.05039	3.3
96.96034	1.2
97.02966	5.0
99.00897	6.5
99.04503	3.3
101.02462	46.9
102.75569	1.1
109.02973	3.1
111.00920	5.0
112.01694	2.4
113.02474	44.1
114.02809	1.5
116.92893	5.0
119.03513	9.0
119.05038	1.3
124.01684	1.1
125.02468	7.6
127.04015	4.6
129.01935	1.8
131.03531	9.2
133.02957	2.7
133.25409	1.3
134.03716	2.1
135.04552	1.4
137.02437	4.4
139.07704	7.0
143.03532	6.7
145.02994	2.2
147.04527	1.7
151.03972	1.2
155.03540	3.3
159.03011	2.6
159.04417	1.7
160.01685	2.4
161.02480	5.6
161.04596	8.5
163.03995	1.5
165.05597	1.4
167.03423	1.8
172.05295	1.8
175.03943	1.4
179.03531	2.3
179.05566	1.9
187.03952	1.9
190.02925	1.7
194.67519	1.1
195.06642	1.4
201.14351	1.0
209.11842	3.1
211.13478	1.8
219.13943	2.0
259.08115	2.7
283.13397	11.8
301.14423	2.3
309.14926	1.3
311.12946	1.6
313.21674	1.7
327.12357	2.8
327.23233	7.6
328.23700	1.4
329.24841	10.4
330.25201	2.1
347.25992	2.7
353.14023	1.4
369.13477	1.3
369.27960	1.7
373.23825	3.5
421.31021	2.0
451.32230	2.6
469.33066	3.5
473.36356	7.9
474.36844	1.1
483.31036	1.7
487.34238	11.5
488.34494	3.1
617.40570	2.8
619.38696	2.3
639.37067	3.0
715.44080	1.2
745.41376	1.9
763.43890	4.6
765.44666	18.2
766.44568	3.5
776.36707	1.3
779.46027	3.0
781.44751	1.6
797.47327	12.4
798.47266	1.8
805.32428	1.5
817.36920	1.9
839.47772	4.0
840.49683	1.2
867.41351	1.6
877.39661	1.3
907.39337	2.4
909.48798	100.0
910.49121	27.2
925.51849	56.9
926.52313	16.7
927.49945	47.3
928.50537	14.7
937.40582	5.9
938.40887	1.7
943.53088	57.6
944.53687	14.3
969.51117	17.0
970.52307	4.9
985.54169	93.0
986.54584	34.2
997.44977	5.3
1029.43494	5.3
1030.42468	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	1029.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71703	1.8
72.99329	5.3
73.02959	16.9
75.00885	1.5
81.03479	2.0
83.01405	10.5
83.05038	2.4
85.02963	45.7
86.00143	2.1
87.00880	13.0
87.04514	2.2
88.98824	1.7
89.02453	19.1
93.03482	2.2
94.05189	1.3
95.01414	9.6
95.05028	4.0
96.96034	3.2
97.02979	6.4
99.00880	9.5
99.04563	2.1
101.02463	45.9
109.02949	3.1
111.00881	3.7
112.01685	1.9
113.02476	37.5
115.00359	1.3
115.04004	2.0
116.92866	2.8
119.03535	7.9
119.05044	2.0
120.39986	1.4
123.04523	1.8
124.01582	1.3
125.02450	5.3
127.04030	3.8
129.01974	2.6
131.03528	7.7
133.03001	3.6
134.03766	2.2
135.04518	2.7
137.02472	2.2
139.07698	5.1
143.03528	6.5
145.02988	1.5
149.02501	1.6
150.03265	2.2
151.04007	1.8
152.47444	1.3
155.03500	3.1
159.02997	3.3
160.01674	1.8
161.02504	6.0
161.04601	8.4
161.05820	1.7
163.03928	2.0
163.06097	1.4
165.05598	2.2
172.05298	3.7
175.02568	2.2
175.04041	3.2
179.03476	2.8
179.05690	1.8
185.06113	1.3
201.05544	1.7
204.04099	1.4
209.11835	4.6
219.14009	2.0
227.03535	2.0
228.04262	1.9
259.08163	2.7
266.07532	1.2
283.13409	17.4
284.13831	1.8
301.14532	4.2
311.12985	2.9
315.23221	2.1
327.12399	5.5
327.16074	2.8
327.23166	4.9
329.24875	8.2
347.25977	1.6
353.13904	2.7
357.09845	1.8
369.13217	3.6
369.28159	1.6
373.23996	2.3
421.31577	2.0
439.32401	1.7
451.32410	2.4
469.33093	3.8
473.36282	9.2
487.34229	9.0
488.34320	1.6
583.36426	2.0
619.37830	1.8
639.37628	1.8
747.22430	1.7
763.44171	3.5
765.44824	17.0
766.45129	3.8
779.46161	5.1
797.47388	10.6
798.48218	2.1
805.33771	3.2
817.36829	2.0
839.48846	3.7
877.39453	1.9
907.40906	4.3
909.48914	92.3
910.49353	25.6
925.52039	61.2
926.52087	16.3
927.49829	42.4
928.50250	9.7
937.40820	10.2
938.41895	2.5
939.41571	2.1
943.53040	52.7
944.53687	15.8
969.51514	14.5
970.51428	6.4
985.54254	100.0
986.54584	35.6
997.43414	6.6
998.43036	4.1
1029.45288	5.4
1030.46301	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	1029.531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71474	0.5
71.71848	0.4
72.99314	3.1
73.02952	5.2
75.00886	2.3
81.03473	1.9
83.01396	7.8
83.05052	0.6
84.02181	0.4
85.02962	19.6
85.76445	0.4
86.00104	1.2
87.00885	6.5
87.04548	0.4
88.00436	0.4
89.02460	5.8
93.03490	0.9
95.01395	2.9
96.96039	2.2
97.02972	3.2
97.93153	0.4
98.95572	0.6
99.00876	2.7
99.04531	1.9
101.02462	20.3
102.02756	0.4
109.02976	1.7
111.00895	1.6
111.04558	0.6
112.01687	1.2
113.02471	19.3
114.93427	2.7
115.00385	1.2
115.04053	0.6
116.92876	0.5
119.03526	2.0
119.05021	0.6
121.03002	0.6
123.04525	0.6
125.02499	3.1
127.04025	2.6
129.01952	0.5
131.03526	15.9
132.03841	0.4
133.02971	0.9
135.04547	0.7
137.02470	2.4
143.03519	1.7
151.04077	0.4
155.03520	4.0
159.02957	0.4
161.02441	1.1
161.04556	1.3
163.06186	0.9
165.05614	0.5
167.03563	0.7
179.03513	0.9
179.05615	1.0
211.13295	0.5
233.06705	0.5
259.08252	3.0
290.22003	0.3
321.08899	0.9
485.33231	0.4
583.36517	0.9
619.38641	1.9
663.38171	0.6
763.42969	2.9
764.43481	0.7
765.30719	0.9
765.44617	14.9
766.44482	1.9
781.43982	1.4
797.44135	0.5
807.44739	0.7
823.42798	0.5
897.54218	0.4
909.48853	100.0
910.49121	23.1
925.48615	2.8
926.48792	0.5
927.49896	41.1
928.31757	0.3
928.50244	9.3
941.51959	1.9
942.53027	0.6
943.50403	2.3
969.51135	24.1
970.51453	7.5
985.51044	3.1
986.50934	1.0
1029.46973	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	1029.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01740	0.5
72.99326	2.9
73.02955	21.7
75.00873	1.4
81.03459	1.3
83.01401	12.1
84.02181	0.5
85.02963	31.1
86.00110	1.6
86.03309	0.5
87.00893	6.4
87.04519	1.1
89.02458	12.0
95.01399	4.4
97.02969	3.0
99.00890	6.9
99.04510	0.8
101.02460	40.8
102.02790	0.6
103.04033	2.3
106.54401	0.5
109.02962	1.9
111.00906	1.2
112.01669	0.9
113.02472	28.4
114.02798	0.7
115.04027	0.8
116.92857	0.6
119.03532	4.4
119.05037	0.8
124.01723	0.4
125.02482	3.2
127.04007	1.7
129.01952	2.3
131.03528	5.8
133.02969	1.0
135.04518	1.1
137.02460	0.9
138.50560	0.5
142.06688	1.0
142.64424	0.5
143.03543	4.7
145.02914	0.7
145.05022	0.6
149.02487	0.8
149.04536	0.6
149.06133	0.5
150.03223	1.0
155.03505	0.9
159.03021	3.5
160.01689	0.6
161.02606	2.4
161.04588	15.2
163.04015	0.7
163.06125	0.9
165.02003	0.7
165.05573	1.4
174.01775	0.6
175.02592	1.0
175.04037	1.0
179.03436	0.8
179.03943	0.7
179.05629	6.7
189.19281	0.5
205.03426	0.6
205.07187	0.9
209.11813	0.8
259.08176	1.0
285.03949	0.5
313.21402	0.5
329.13995	0.6
329.24850	0.9
331.26364	0.8
339.08804	0.4
346.35162	0.4
384.49506	0.5
475.30746	0.7
493.31812	7.4
494.31848	0.6
603.35413	1.0
621.36554	4.0
639.37628	100.0
640.27185	0.7
640.37976	13.6
681.38763	15.7
682.39252	1.7
763.45367	0.8
765.44592	2.3
781.44604	0.6
789.80231	0.5
797.48016	0.5
909.48767	19.2
910.49628	3.5
925.51910	9.9
926.52844	2.2
927.49939	8.4
928.49939	1.8
943.53021	11.2
944.53485	2.2
967.53259	0.8
969.50830	4.0
970.50854	1.5
985.54169	39.1
986.54724	9.7
1029.42590	1.4
1030.39441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	3.0
73.02955	5.7
74.81371	0.2
75.00869	0.9
81.03480	1.4
83.01395	8.1
83.05035	0.6
84.02172	0.3
85.02963	23.3
85.08584	0.2
86.00108	1.2
86.03300	0.5
87.00384	0.3
87.00889	5.4
87.04523	0.4
89.02453	5.6
93.03468	0.8
95.01410	3.3
96.96032	1.3
97.02975	2.6
98.20662	0.4
99.00892	2.8
99.04539	1.8
101.02459	20.7
102.02805	0.4
107.05009	0.2
108.72674	0.2
109.02959	1.9
111.00902	1.3
111.04516	0.5
112.01678	1.4
113.02467	19.9
114.93496	0.3
115.04018	0.4
116.92860	0.3
119.03516	2.1
121.03000	0.4
123.04517	0.6
125.02468	2.7
127.04051	2.3
131.03525	17.1
132.03870	0.5
133.02953	0.5
135.04523	0.3
136.01665	0.3
137.02484	2.3
139.04063	0.5
143.03528	2.2
145.02988	0.3
145.05118	0.5
147.04588	0.3
151.03978	0.5
155.03520	2.9
159.02975	0.5
160.01683	0.3
161.02477	0.8
161.04597	1.5
162.48372	0.2
163.06149	1.0
167.03572	0.3
175.04065	0.4
177.01897	0.3
179.03436	1.2
179.05418	0.3
185.44986	0.3
193.04964	0.2
209.11888	0.3
213.31952	0.3
217.07104	0.2
229.81049	0.3
231.08755	0.5
233.06676	0.6
252.18713	0.3
259.08237	3.2
315.45444	0.3
321.09140	0.4
368.71927	0.2
411.29425	0.4
429.29932	0.4
485.32645	0.5
557.35260	0.3
583.36426	0.8
619.38757	1.8
620.39447	0.3
663.37250	0.4
727.89667	0.3
746.43030	0.3
747.43250	0.4
763.43018	2.5
764.42877	0.5
765.44611	15.5
766.44940	3.3
781.43848	1.6
782.45117	0.3
807.45129	1.0
873.46204	0.4
879.48645	0.3
909.48816	100.0
910.49152	26.6
925.48529	0.3
927.49884	44.8
928.50128	11.5
941.51630	0.5
943.50214	0.6
969.51074	28.9
970.51520	8.2
985.50708	0.5
1029.41443	0.3
1030.44617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	63.9
72.01717	0.9
72.99316	4.1
73.02953	27.0
75.00881	1.6
81.03485	2.0
82.44764	0.3
83.01398	26.3
83.05044	0.4
84.02174	0.7
85.02960	42.2
86.00106	2.6
86.03284	0.5
87.00883	13.5
87.04531	1.7
89.02457	11.5
93.03494	0.7
94.86476	0.3
95.01396	9.0
95.05053	0.4
97.02970	9.2
98.20701	0.8
98.54713	0.3
99.00896	12.0
99.04546	1.1
101.02458	47.5
102.02807	0.9
103.04030	2.7
107.01389	0.3
108.87421	0.3
109.02971	1.7
111.00898	2.2
111.04577	0.5
112.01687	2.2
113.02470	42.8
114.02790	0.8
114.93422	0.4
115.04028	2.2
119.03519	3.5
121.02965	0.6
123.04528	0.6
123.08173	1.0
124.01700	0.4
125.02470	15.5
127.04067	1.6
129.01959	1.3
131.03526	2.9
137.02490	0.8
139.00389	0.4
139.04045	0.5
141.01950	0.5
143.03522	14.3
145.05080	1.2
149.02444	0.5
149.04575	0.7
155.03452	0.6
159.03030	3.4
161.04591	11.4
163.06137	1.3
167.03535	1.4
179.03505	0.7
179.05653	0.8
183.06657	0.4
185.04555	0.6
203.05524	0.4
205.07115	1.3
221.06921	0.3
233.06702	2.8
268.60471	0.3
287.07483	0.3
289.09232	1.6
315.23346	0.5
327.23334	2.1
329.24902	2.7
330.25137	0.5
347.25931	0.8
349.11487	1.8
373.23788	0.7
423.32791	2.0
424.33078	0.4
425.34241	0.6
433.31131	0.7
435.32956	0.5
446.92178	0.3
453.33664	3.8
454.34216	0.4
455.35248	0.4
469.33170	0.9
540.97742	0.3
567.37128	2.2
568.36963	0.5
597.37793	0.4
633.40161	4.7
634.40063	0.5
675.41150	0.9
699.42535	0.5
741.41663	0.4
750.45282	0.4
751.45465	0.8
759.43427	1.2
777.44629	20.3
778.44653	3.7
779.46149	64.3
780.46503	10.2
795.45551	5.3
796.45392	1.1
821.47021	10.0
822.47516	1.3
837.46686	4.4
838.47498	0.7
845.47168	2.7
846.47632	0.7
875.48969	0.6
887.48016	1.0
905.49060	1.1
923.50348	57.9
924.50751	11.6
924.65143	0.3
941.51587	83.6
942.51910	16.5
983.52582	100.0
984.52936	22.4
984.82825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	51.7
72.01732	0.5
72.99314	6.6
73.02953	13.6
75.00883	1.2
77.03941	0.3
81.03463	2.7
83.01395	25.5
83.05043	1.0
84.01727	0.7
84.02186	0.7
84.95125	0.7
85.02961	34.5
86.00114	2.8
86.03288	0.7
87.00887	12.1
87.04520	1.2
89.02454	12.2
93.03471	4.0
95.01400	13.6
95.05035	0.8
96.96014	0.6
96.99339	1.3
97.02966	18.5
98.03262	0.4
98.20570	0.3
99.00901	7.6
99.04534	1.4
101.02458	40.2
102.02766	0.7
103.00351	0.3
103.04026	5.1
105.03488	0.4
107.01423	0.6
107.05007	0.4
108.02197	0.7
109.02971	8.7
111.00901	3.1
111.04530	1.2
112.01696	2.9
113.02467	42.7
114.02774	0.5
115.04030	2.2
117.01897	0.4
118.79532	0.3
119.03522	3.8
119.05024	0.7
121.02972	4.4
123.04552	1.3
123.08176	0.4
124.01685	0.6
125.02470	18.0
127.04043	3.9
129.01961	0.8
131.03503	1.9
133.03084	0.4
135.04507	0.8
137.02469	10.8
139.00432	0.3
139.04013	1.6
141.01945	2.1
142.02718	0.7
143.03522	32.1
144.03859	1.1
145.02953	0.4
145.05069	1.7
147.04568	0.8
149.02454	5.1
151.04051	1.9
155.03535	5.6
156.03830	0.4
161.02420	0.6
161.04572	14.9
162.04921	0.5
163.04010	0.7
163.06149	3.6
165.01910	0.4
165.05586	0.7
167.03520	11.8
168.03804	0.4
179.03502	5.3
179.05574	0.8
185.04564	16.1
186.04858	0.9
191.03508	0.8
197.04527	0.4
203.05577	0.4
205.07120	0.8
209.04622	3.2
217.07193	0.3
227.05594	0.9
233.06691	0.9
239.05600	0.7
257.06677	0.9
261.09698	0.4
266.62912	0.3
269.06824	0.4
275.07761	0.3
287.07767	3.0
289.09290	21.1
290.09485	1.4
294.72186	0.4
295.08176	1.1
305.08698	0.6
315.23322	0.3
327.23196	1.6
329.24896	1.3
331.10483	1.6
347.25928	0.6
373.11401	3.1
423.32434	1.7
425.33810	0.4
435.33096	0.4
453.33777	1.6
469.33261	1.0
470.33719	0.3
513.35712	0.5
541.35400	0.5
567.36957	3.6
568.37286	0.8
597.37787	0.9
633.40210	10.3
634.40491	2.0
759.43701	1.1
760.43353	0.5
761.45166	1.1
777.44470	5.7
778.44989	1.3
779.46143	73.4
780.46497	15.6
795.45209	2.6
796.44971	0.4
799.21783	0.4
821.47028	4.3
822.47467	1.2
837.46918	1.1
849.46875	0.9
875.48480	0.5
887.48010	0.7
888.48358	0.4
893.49054	0.6
905.49365	1.0
907.47485	0.4
923.50360	100.0
924.50690	31.0
941.51587	59.2
942.51831	17.5
983.52557	52.9
984.52832	17.2
1027.48743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.3
72.99329	0.2
83.01398	0.4
89.02444	0.1
89.89561	0.1
107.01420	1.1
108.02187	0.7
109.02943	0.3
121.02964	0.3
122.77186	0.1
125.02460	0.3
135.00916	0.3
135.44612	0.1
142.06641	1.7
147.00822	0.1
148.01697	0.8
149.02493	0.1
150.99187	0.2
151.00395	3.7
152.00980	0.2
153.01976	0.2
158.06123	0.4
159.04454	0.1
161.02486	0.7
163.00452	0.7
163.03993	0.2
164.01158	0.3
165.05692	0.1
169.01466	0.3
174.03259	0.1
178.99883	2.5
180.00244	0.2
183.04536	0.2
186.05626	0.5
192.00642	0.2
193.01451	0.1
199.03992	0.4
204.06647	1.2
205.07147	0.3
211.03986	0.3
215.03563	0.3
216.04237	0.4
226.02747	0.9
227.03490	1.6
228.04022	0.2
229.01485	0.1
229.05000	0.2
229.95992	0.2
230.02141	0.1
239.03201	0.2
243.02977	7.5
244.03499	0.7
245.04376	0.2
246.07722	0.5
254.02199	1.8
255.02982	19.7
256.03351	1.6
271.02469	43.8
272.02890	4.2
273.03906	0.3
283.02371	0.2
299.02020	1.9
300.02759	91.1
301.03287	13.4
302.03766	0.4
325.03433	0.1
343.04169	0.2
355.04434	0.3
429.08237	0.2
447.09351	3.0
448.09589	0.4
579.13605	100.0
580.13959	14.2
581.14630	0.1
737.23157	0.2
990.68042	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	1027.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	37.3
72.99319	3.1
73.02951	17.2
75.00883	1.3
81.03477	0.8
83.01399	16.0
84.00950	0.7
84.95137	1.1
85.02963	30.3
86.00123	1.6
87.00889	10.4
87.04527	0.6
88.00415	1.8
88.98820	100.0
89.02455	20.1
89.99184	0.8
95.01410	6.6
96.96049	1.2
97.02966	5.7
99.00881	6.3
99.04510	1.0
101.02460	29.9
103.04024	1.5
109.02990	1.3
111.00876	2.2
113.02472	26.6
114.02835	0.7
114.93430	1.4
115.00367	1.5
115.04021	0.8
119.03519	2.3
121.02972	0.8
125.02475	9.6
127.04034	1.0
131.03523	2.2
137.02464	1.6
143.03516	9.1
159.03001	1.6
161.04581	7.2
163.06194	0.8
167.03445	1.5
167.95079	0.7
170.68944	0.7
172.08194	0.7
179.03448	0.7
185.04486	0.7
207.10529	0.6
230.24239	1.0
233.06697	1.6
289.09396	2.1
298.06378	0.8
317.24802	2.5
567.36749	1.3
597.39410	0.9
610.86157	0.8
633.40137	4.2
777.44751	10.6
778.44763	3.3
779.46136	38.7
780.46411	7.7
795.45801	2.4
821.47034	4.1
822.47382	1.5
837.46930	2.8
845.47711	1.6
923.50330	41.1
924.50946	11.0
925.50793	0.9
941.51575	55.6
942.52081	16.1
983.52594	61.1
984.53094	17.7
1027.48999	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	1022.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	13.9
71.71882	1.6
72.99310	4.1
73.02937	2.5
75.00879	1.9
78.91895	1.4
83.01395	2.8
85.02972	6.0
86.03282	1.2
87.00890	2.7
88.98816	4.0
89.02458	5.6
95.01398	1.2
99.00877	2.0
101.02463	8.1
105.42178	0.9
108.60435	0.8
111.00853	1.3
113.02448	5.9
115.00396	1.5
119.03503	2.1
121.08562	0.9
123.04511	1.4
125.02426	2.0
129.01967	1.3
133.02948	1.8
134.03790	1.7
135.04556	2.6
137.02509	1.4
145.02962	2.4
149.02455	1.1
150.03206	1.9
160.01694	2.2
160.28088	0.9
161.02463	5.3
161.04608	2.0
165.05630	1.9
165.74876	1.0
175.02586	1.9
175.04041	1.8
179.03583	1.6
182.48332	1.1
193.05124	1.5
204.06558	1.2
222.03967	1.1
241.05023	1.1
337.07175	1.9
373.83337	1.0
623.63611	1.0
711.56616	1.1
782.46716	1.1
959.52350	16.3
960.52301	8.5
961.52960	5.2
962.53479	27.7
962.72424	1.8
963.53955	3.2
1022.52289	100.0
1023.53186	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	34.9
71.71774	2.9
72.01734	2.9
72.99320	5.4
73.02946	7.3
75.00887	1.7
83.01407	4.5
83.19423	1.2
85.02964	22.5
86.03281	1.5
87.00882	6.7
88.98817	20.8
89.02448	14.3
95.01413	2.2
97.02939	3.9
99.00906	5.4
101.02454	24.4
102.02769	1.9
103.02864	1.4
111.00867	1.8
113.02482	15.5
114.02878	2.1
116.05094	7.6
119.03493	3.9
119.05039	3.6
121.02985	2.6
123.66558	1.2
125.02480	4.8
128.05156	2.2
129.01967	2.0
129.05804	1.3
130.06654	6.8
131.03514	5.7
133.02954	2.7
134.03731	2.5
135.04530	3.2
137.02435	1.9
142.06642	10.6
143.03537	4.2
149.02510	3.0
149.04593	1.7
149.06104	1.5
150.03275	8.6
151.03981	1.9
158.06139	19.1
160.01764	2.5
161.02455	6.2
161.04616	9.7
161.05827	1.8
162.05011	1.5
163.03990	2.6
165.01793	1.5
165.05609	11.3
175.03976	1.5
177.05580	1.5
179.05580	2.9
181.05118	1.6
186.05655	5.9
191.07204	1.5
193.05099	1.9
195.06636	4.4
204.06674	50.3
205.07007	3.9
219.13905	5.2
221.06639	4.7
222.07079	1.4
228.06625	6.9
241.05002	1.4
262.82938	1.4
263.07800	2.3
271.09753	1.8
281.13895	2.4
323.09918	2.8
337.07245	3.2
339.08792	5.1
340.09335	1.7
359.15015	5.4
383.11966	9.9
384.12280	5.8
385.12601	3.3
431.16837	1.8
457.11417	2.9
459.13293	2.3
471.34799	21.4
471.40921	1.6
472.35150	24.9
473.35422	14.4
474.35791	7.5
485.15176	5.5
486.15295	3.9
487.15604	3.2
537.21118	3.1
585.23370	18.1
586.23615	3.1
634.41388	2.4
780.47260	3.0
797.46960	2.4
798.47760	2.8
815.27924	2.3
817.42969	11.7
818.42938	30.1
819.42755	3.0
941.50977	1.7
942.52582	4.6
957.51349	10.1
958.51190	5.5
959.52264	16.8
960.52661	100.0
961.53308	15.5
1020.50659	77.8
1021.51532	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	1022.516
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82577	0.8
71.01387	44.4
71.42146	1.9
72.01723	6.4
72.99319	3.3
73.01836	1.5
73.02946	5.0
75.00865	1.0
76.01046	0.9
83.01403	2.3
85.02970	12.1
87.00892	5.9
88.98830	2.5
89.02455	51.1
90.02781	5.5
91.02874	3.5
94.98080	1.1
95.01414	2.6
97.02964	1.8
99.00858	1.0
101.02464	28.9
102.02799	4.2
103.02940	1.1
105.01967	2.5
106.67147	0.9
113.02470	21.0
114.02831	3.4
119.03530	19.5
120.03860	3.5
121.03928	1.5
125.02458	3.6
129.02010	1.2
131.03525	5.8
132.03851	1.4
133.22374	0.9
136.07700	1.0
143.03528	7.7
144.03838	2.0
149.04575	1.2
161.04575	14.7
162.04933	3.3
177.71664	1.1
179.05627	100.0
180.05956	28.0
181.06082	16.0
182.06319	1.5
209.11992	1.0
209.15497	8.3
210.15759	1.2
221.06705	5.3
222.07011	2.6
226.53340	1.2
251.08031	1.2
253.14470	3.7
254.14938	1.7
257.12970	1.0
263.07687	1.8
277.09906	1.1
279.07727	1.9
281.09000	1.1
293.09354	2.2
305.08887	6.8
306.09149	3.9
307.09216	3.4
321.08853	5.2
323.09790	2.2
325.10306	1.6
401.13013	2.0
402.13300	1.7
487.15231	1.2
605.20758	1.9
799.49005	1.2
914.52826	1.3
944.52734	1.5
955.46191	1.0
961.55023	1.6
962.54584	2.8
991.39661	2.7
1022.52155	35.0
1023.50385	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	1020.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01281	15.3
71.01701	2.6
72.01646	1.6
72.99238	1.8
73.02850	4.7
83.01275	6.8
84.01613	1.5
85.02840	9.6
86.00015	1.3
86.03212	1.6
87.00814	1.6
88.98742	1.5
89.02319	4.9
95.01272	3.5
97.02814	2.5
98.20640	2.1
99.00790	2.0
101.02316	14.7
102.02688	1.8
103.03925	1.4
104.45226	0.7
113.02313	10.1
114.02642	2.1
119.03448	1.0
125.02435	4.2
125.16159	0.7
143.03517	5.0
144.03749	1.1
161.02242	1.0
161.04558	6.1
162.04805	1.0
163.03775	0.9
340.73495	0.8
406.75269	0.9
639.83630	0.8
650.39709	1.6
651.40894	1.7
652.41034	1.7
688.01349	0.7
795.45630	3.1
796.46045	5.4
797.46442	15.6
798.46899	13.6
814.46368	1.2
957.52112	4.3
958.51672	5.8
959.31964	1.6
959.51880	41.2
960.52136	100.0
961.52106	7.8
1020.50586	47.1
1021.50446	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	1020.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	27.2
71.71487	1.6
72.01741	3.7
72.99329	2.1
73.02942	9.2
73.24591	1.0
83.01405	6.0
84.01727	1.6
85.02961	18.9
86.03297	2.9
87.00885	2.1
88.98816	15.3
89.02451	9.0
90.02811	1.3
93.94128	1.1
95.01413	4.4
97.02969	2.8
99.00902	4.0
100.01244	1.0
101.02464	20.6
102.02779	2.8
103.02861	0.9
111.00882	1.6
113.02463	15.7
114.02787	1.7
115.09189	1.0
119.03525	1.5
119.05024	1.4
125.02486	4.1
131.03540	1.4
132.02158	1.0
137.02496	1.4
143.03505	4.4
161.02475	2.0
161.04533	5.9
181.12363	70.1
205.05069	1.4
225.11330	68.3
243.72772	1.1
310.61337	1.2
316.52478	1.2
393.77429	1.2
509.31320	2.2
510.31647	1.7
554.06305	1.3
655.37299	2.9
656.37201	3.7
781.91052	1.1
796.46228	2.7
797.46252	7.9
798.46747	8.3
813.45428	1.8
817.42511	6.8
818.42804	17.7
957.50854	7.9
958.52161	6.3
959.51941	33.2
960.52136	100.0
961.52765	13.0
1020.50568	64.8
1021.50775	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	1019.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	28.7
71.71275	0.7
72.01717	0.5
72.99309	3.0
73.02953	7.7
75.00877	1.6
83.01405	4.5
83.05032	0.4
85.02956	20.9
86.00091	0.7
86.03284	0.6
87.00878	4.4
87.04521	0.9
88.98808	5.6
89.02454	13.1
90.02808	0.4
93.03471	0.5
95.01393	3.3
97.02956	1.2
99.00887	2.9
99.04523	0.6
101.02460	21.4
102.02799	0.7
103.04023	1.2
105.01938	1.4
109.02933	0.5
111.00873	0.6
113.02458	12.9
114.02778	0.4
115.04018	1.2
116.05042	0.8
116.92860	0.7
117.03463	0.5
119.03519	4.8
119.05031	0.9
125.02457	2.0
127.04018	1.0
129.01920	0.6
131.03548	2.2
132.03777	0.4
135.04547	0.9
137.02451	0.5
142.06641	1.2
143.03502	2.9
145.02988	0.6
145.05121	0.9
147.04514	0.7
149.02434	0.8
150.03212	1.7
158.06100	1.7
159.03003	0.8
160.01634	0.7
161.02417	1.7
161.04573	4.8
163.06169	0.5
165.01871	0.5
165.05573	2.2
167.03444	0.5
174.90265	0.4
175.02612	0.5
175.04057	0.9
179.03435	0.6
179.05701	1.7
186.05630	0.7
195.06665	0.9
204.06670	5.1
205.07114	1.1
221.06665	0.9
228.06581	0.6
231.02899	0.4
247.08215	0.6
285.03934	0.4
291.10757	0.5
323.09848	0.4
337.07187	1.1
361.16589	0.5
383.11981	1.0
384.12289	0.6
411.15302	0.4
457.11508	1.1
471.34814	4.6
472.35178	3.9
473.35507	3.2
485.15100	0.6
486.15451	0.7
487.15720	0.5
525.30969	1.4
585.22961	1.1
633.40021	0.9
779.46106	5.9
780.46429	1.7
797.46967	1.3
813.45844	0.8
817.42456	33.0
818.42456	7.3
941.51593	3.5
942.52130	1.0
958.51050	0.8
959.52509	100.0
960.52893	27.7
975.55438	0.7
1019.43622	1.2
1020.50659	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	1019.6498
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	0.2
71.05054	0.3
73.02975	0.2
85.02956	0.1
88.98885	0.1
94.81831	0.1
97.02960	0.1
98.20792	0.1
101.02526	0.2
106.05281	0.1
113.02504	0.1
134.56493	0.1
171.10345	0.2
172.10588	0.1
180.20944	0.1
197.11998	0.1
211.13419	0.2
291.19711	0.1
309.20703	0.4
310.21210	0.3
327.21820	0.5
328.22086	0.3
329.22601	0.2
359.22260	0.2
367.30682	0.1
383.26059	0.3
392.18814	0.1
395.25919	0.2
397.13516	0.2
409.31589	0.7
415.14542	0.2
416.14755	0.1
423.29099	1.4
425.30573	0.8
426.31955	0.1
427.32443	1.3
428.32419	0.2
429.87247	0.1
437.30814	0.3
439.32663	0.6
440.32379	0.1
441.29993	0.3
453.29953	0.3
455.31702	1.4
456.31943	0.2
458.30029	0.1
471.31155	8.8
472.31607	1.2
473.32736	20.5
474.26297	0.2
474.33026	2.9
483.31104	1.4
485.28845	0.2
499.30695	0.6
500.30972	0.1
501.32220	28.8
502.32574	4.5
516.30609	0.2
517.31665	100.0
518.32025	14.0
827.43433	0.2
994.15924	0.1
1019.53497	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	1020.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00996	1.4
71.01392	28.0
72.01735	2.7
72.99327	2.8
73.01801	1.1
73.02956	4.3
83.01410	9.4
84.01751	1.2
85.02968	12.9
86.03321	1.0
87.00914	5.1
88.98822	3.6
89.02455	12.6
90.02794	2.3
95.01404	5.2
97.02956	2.5
98.20705	1.8
99.00898	3.4
99.05193	0.8
101.02463	22.0
102.02808	2.8
103.04029	1.7
113.02474	15.8
114.02795	2.5
119.03553	4.2
120.03884	0.9
125.02503	4.7
126.02847	1.2
131.03529	1.2
143.03539	8.8
144.03854	1.3
149.02481	1.4
161.02490	1.2
161.04590	6.8
162.04915	1.3
163.06242	0.9
164.04828	0.9
165.05408	1.0
179.05634	8.2
180.05986	1.4
190.02693	2.0
205.05127	3.7
216.09523	0.8
223.06122	2.3
225.71655	0.8
229.71077	0.9
265.07129	1.0
287.76340	0.9
323.09708	0.9
332.83719	0.8
409.49719	0.8
427.12085	1.4
455.31302	1.5
456.32074	1.5
457.32401	1.4
649.40106	1.0
650.40167	1.9
651.40179	3.1
652.40448	1.4
769.87244	1.0
795.46045	2.0
796.45880	5.0
797.46429	15.3
798.46637	14.9
812.45673	1.8
813.46130	6.8
814.46527	4.2
957.50903	8.0
958.51245	8.3
959.51666	39.7
960.51947	100.0
961.52246	9.4
973.73834	1.1
1020.50684	51.9
1021.50903	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	1019.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	25.1
71.70837	0.4
72.01711	0.4
72.99312	2.7
73.02956	6.7
75.00878	0.5
81.03473	0.6
83.01398	6.4
85.02961	16.7
86.00099	0.7
86.03325	0.4
87.00890	3.0
87.04543	0.9
88.98821	7.6
89.02459	8.1
91.02264	0.3
95.01396	4.3
97.02962	3.4
99.00884	3.8
99.04562	0.5
101.02463	21.1
103.04025	1.5
105.01921	0.5
109.02933	0.5
111.00915	0.8
112.01656	1.2
112.99890	0.4
113.02467	17.5
114.02782	0.5
115.04005	0.5
116.92822	0.5
119.03529	2.0
119.05009	0.5
119.15434	0.3
125.02479	4.6
127.04053	0.4
129.01999	0.4
131.03522	1.0
132.02200	0.4
133.02975	0.7
134.03700	0.5
135.04539	0.4
137.02490	0.7
143.03526	6.5
145.02968	0.6
145.05008	0.4
149.02429	0.7
159.03004	0.8
160.01701	0.5
160.73199	0.3
161.02415	1.2
161.04588	8.9
163.06140	0.7
165.05453	0.5
171.67807	0.4
175.03970	0.5
179.05608	1.4
181.12314	1.3
190.02739	0.7
205.07083	0.4
209.11790	0.4
217.01556	0.4
221.06645	0.8
225.11311	1.2
263.07773	0.7
266.41766	0.4
289.09244	0.3
313.21802	0.4
327.23251	2.1
328.23737	0.4
329.24796	2.4
332.08411	0.3
347.25891	1.1
361.16855	0.4
381.28253	0.4
383.29813	0.4
401.30597	1.3
418.71930	0.3
427.13141	0.3
443.27988	1.1
459.34689	0.5
489.35797	1.0
491.30148	0.7
509.31091	4.4
510.31458	1.0
585.37848	0.6
633.39362	0.4
651.41290	1.5
655.37213	9.9
656.37280	1.8
671.36444	1.3
672.38330	0.4
779.46094	2.5
780.46698	0.8
797.47296	11.0
798.47607	2.1
813.47150	0.7
817.42548	43.7
818.42792	12.3
914.51788	0.6
915.51776	1.6
933.52509	0.6
941.51636	5.1
942.52277	1.1
957.47937	0.6
959.52582	100.0
960.52924	30.5
973.55396	0.4
975.52942	1.0
1019.46613	1.2
1020.51270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	37.4
72.01721	0.2
72.99310	2.8
73.02951	3.6
75.00880	0.4
81.03471	0.1
83.01401	1.9
84.02204	0.2
85.02962	7.7
86.00098	0.3
86.03290	0.1
87.00883	4.2
88.98811	1.6
89.02455	42.5
90.02803	0.6
95.01399	3.0
97.02965	0.9
98.19855	0.4
99.00874	0.6
101.02457	26.0
102.02778	0.4
105.01945	1.2
107.03525	0.8
113.02467	17.2
114.02794	0.4
115.04027	0.2
118.24932	0.1
119.03518	18.6
120.03854	0.3
121.58630	0.1
124.62202	0.1
125.02465	3.1
129.02003	0.2
131.03525	5.1
133.01492	0.2
143.03528	7.2
144.62677	0.1
149.04576	2.1
159.03008	0.6
161.04578	13.0
162.04895	0.4
167.03592	0.1
177.05780	0.1
179.05629	100.0
180.05966	2.5
186.05502	0.1
191.07182	0.1
219.72777	0.1
221.06676	5.6
222.06862	0.2
222.35461	0.1
263.07730	2.8
281.08783	1.1
305.08801	10.0
306.09283	0.6
323.09839	3.8
324.10211	0.2
341.11041	0.8
401.13000	4.0
402.13455	0.2
443.13837	0.4
470.74481	0.1
485.15170	2.1
486.15445	0.2
503.16150	1.8
524.76178	0.1
741.03571	0.1
817.42065	0.5
833.42041	0.5
941.51300	1.5
942.52209	0.3
959.51782	0.9
960.52563	0.3
1014.69086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.6328
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74776	0.1
85.42854	0.1
95.05093	0.2
95.99036	0.1
98.19912	0.2
98.72547	0.1
100.32954	0.1
102.36034	0.1
205.59023	0.1
213.34470	0.1
294.31943	0.1
327.21991	0.1
369.31683	0.1
371.22208	0.1
395.29846	0.1
397.31003	0.2
425.30402	0.1
435.29092	0.4
441.30127	1.4
442.30292	0.3
443.31686	14.4
444.32013	1.8
453.29990	0.2
483.31076	1.5
484.31271	0.2
485.32745	10.4
486.26639	0.2
486.33194	2.2
486.39975	0.1
487.30640	85.0
488.30960	11.2
517.31824	0.2
529.31677	100.0
530.32031	15.6
531.32184	1.2
598.96002	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	1017.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	24.0
72.01730	0.3
72.99325	1.4
73.02956	7.5
73.66312	0.1
75.00875	0.3
81.03477	0.3
83.01396	5.3
84.02163	0.3
85.02962	14.5
86.00104	0.5
87.00881	2.5
87.04527	0.4
88.98824	1.4
89.02454	7.1
93.26592	0.1
95.01402	2.9
97.02959	1.7
98.20683	0.3
99.00894	3.7
99.04540	0.2
101.02459	19.1
102.02811	0.4
103.00397	0.2
103.04028	0.9
106.82857	0.1
109.02944	0.2
111.00889	0.5
112.01688	0.4
113.02469	13.9
114.02790	0.2
115.04008	0.6
119.03535	2.2
119.04989	0.2
125.02473	3.1
127.04028	0.3
129.01932	0.5
131.03520	0.9
137.02469	0.2
143.03532	2.5
145.05061	0.3
159.03026	1.8
161.04581	5.1
161.34262	0.1
167.03566	0.1
175.27670	0.1
179.05646	0.5
203.83995	0.1
205.07219	0.3
340.94055	0.1
383.12207	0.3
429.30576	0.1
467.97449	0.1
471.34613	0.7
475.21173	0.1
485.32584	0.2
579.17944	0.2
583.36469	0.4
649.39655	0.8
795.45593	15.3
796.46106	2.7
811.44910	1.6
815.40039	0.2
957.51025	100.0
958.51318	25.3
1017.52686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	20.2
71.71992	0.3
72.01723	0.3
72.99312	2.7
73.02953	4.7
75.00851	0.4
81.03461	1.1
83.01392	8.2
84.01738	0.2
84.02180	0.2
85.02959	13.9
86.00108	1.0
86.03281	0.3
87.00385	0.2
87.00885	2.8
87.04519	0.3
88.98816	2.9
89.01907	0.4
89.02456	6.2
93.03487	0.3
95.01401	3.4
97.02966	3.1
99.00898	2.6
99.04527	0.5
101.02460	16.5
102.02737	0.3
103.04012	1.6
109.02967	0.5
111.00865	0.4
111.04543	0.2
112.01710	0.9
113.02462	12.4
115.04040	0.4
115.07681	0.3
116.92902	0.2
117.03500	0.3
119.03544	1.6
119.04967	0.2
121.02911	0.3
121.06559	0.2
122.74928	0.2
125.01622	0.3
125.02467	3.9
126.02758	0.2
127.04014	0.6
129.01949	0.4
131.03540	0.8
133.02951	0.3
134.03735	0.3
135.04520	0.5
137.02423	0.2
139.00284	0.3
139.07710	0.3
142.06604	0.4
143.03526	7.0
145.03003	0.3
145.05066	0.3
147.04523	0.5
149.02429	0.4
150.03197	0.3
159.03001	0.4
160.01700	0.4
161.02582	1.0
161.04579	7.2
162.04935	0.3
163.03978	0.3
163.06148	0.3
164.68414	0.2
165.01941	0.3
165.05594	1.4
165.06786	0.2
166.02585	0.2
167.03438	0.4
175.02554	0.3
175.03996	0.4
179.03549	0.3
179.05598	0.7
180.04286	0.3
193.05019	0.3
195.06627	0.3
204.06604	0.4
205.07033	0.3
289.09412	0.5
324.10446	0.2
327.23181	0.2
389.26688	0.2
469.33322	0.3
470.33234	0.3
583.36523	0.6
649.39679	3.4
650.40558	0.8
653.35529	2.0
654.35968	0.5
665.39856	0.2
795.45618	26.4
796.45972	5.2
800.90277	0.2
811.44818	1.4
812.45514	0.3
813.46222	0.6
957.50995	100.0
958.51294	26.1
975.51685	0.3
1017.35999	0.4
1017.54425	0.4
1018.50336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84693	1.0
71.01387	30.7
71.05026	0.3
72.01717	0.7
72.99314	4.6
73.02953	8.0
75.00880	0.6
81.03463	1.9
83.00895	0.5
83.01396	8.5
83.05035	0.8
84.01698	0.3
84.02171	0.7
85.02959	30.5
86.00090	1.5
86.03284	0.7
87.00887	6.6
87.04523	4.8
88.98792	0.3
89.02452	8.3
93.03465	1.0
95.01398	5.0
96.96019	0.3
97.02972	3.5
98.03275	0.3
99.00901	3.1
99.04519	3.0
101.02456	25.3
101.06089	0.3
102.02776	0.7
103.04013	2.3
109.02983	2.0
111.00913	1.9
111.04572	0.5
112.01694	2.4
112.28307	0.3
113.02464	23.3
114.02773	0.8
115.04010	0.7
116.92859	1.2
119.03526	2.2
119.05040	0.5
123.00867	0.4
123.04525	0.7
125.02464	3.1
127.04034	4.0
129.01976	0.5
131.03517	17.1
133.03064	0.4
135.04556	0.6
137.02451	3.5
139.04062	0.4
143.03508	2.9
145.02960	0.5
145.05070	1.0
151.03961	0.5
155.03548	3.1
159.02937	0.5
161.02443	1.1
161.04576	2.7
163.04022	0.6
163.06122	1.1
165.05553	0.4
167.03482	0.4
175.03943	0.3
179.03505	1.4
179.05608	0.8
181.12358	0.5
190.02678	0.5
221.06566	0.5
225.11348	0.6
231.08708	0.5
233.06668	0.9
237.49789	0.3
259.08221	3.3
291.10916	0.3
369.28009	0.4
371.29520	0.7
373.31125	0.4
381.28000	1.9
383.11908	1.0
383.29474	2.1
399.28937	0.7
401.30615	9.4
402.30972	1.1
452.57718	0.4
453.33792	1.8
459.34714	2.6
469.33124	4.0
470.33524	0.7
471.35141	1.8
473.32870	0.4
485.14975	0.5
489.36176	1.8
515.33105	0.4
533.34784	1.6
534.35040	0.4
567.37250	0.5
585.37891	1.4
591.39117	1.1
603.38947	0.7
621.39880	1.9
747.43451	1.3
749.45349	3.4
750.45465	0.7
765.44604	4.7
766.45203	1.1
767.46118	17.6
768.46259	3.7
783.45996	1.2
784.45911	0.5
787.42133	0.8
809.47290	3.0
810.47278	0.5
863.48004	0.5
871.25983	0.3
881.49353	1.9
893.49390	4.6
894.49933	1.3
910.48773	1.0
911.50354	100.0
912.50708	26.8
913.52014	0.5
928.50305	0.5
929.51361	49.9
930.51630	13.3
946.84015	0.3
953.51807	0.5
955.50543	3.2
956.49615	1.0
959.99658	0.3
971.52612	33.7
972.52936	11.6
973.51703	0.4
1015.49902	1.6
1016.46735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55670	1.0
71.01391	34.0
71.05029	0.5
72.99316	5.4
73.02958	9.0
75.00890	0.8
80.03937	0.4
81.03484	2.5
83.01400	9.0
83.05027	1.1
84.02187	0.7
85.02966	33.7
86.00116	1.2
86.03299	0.6
87.00374	0.9
87.00882	7.9
87.04532	4.9
88.98833	1.3
89.02461	8.1
92.15667	0.5
93.03477	1.1
95.01405	6.0
95.05038	0.8
96.96020	0.6
97.02962	4.3
99.00884	3.6
99.04543	3.1
101.02462	30.9
102.02802	0.7
103.04023	2.7
108.02148	0.5
109.02996	2.5
111.00892	1.9
111.04570	0.5
112.01680	3.4
113.02477	29.2
114.02785	0.9
115.70307	0.5
116.92876	0.5
119.02777	0.5
119.03522	3.2
121.02970	0.7
123.04613	0.5
123.06199	0.5
125.02463	3.7
127.04037	4.9
131.03531	22.4
132.03914	0.5
135.04512	0.5
137.02466	3.9
139.04105	0.5
143.03510	3.2
145.05087	0.7
147.00922	0.4
148.29077	0.5
148.56114	0.4
151.04008	1.0
155.03526	4.5
160.01685	0.6
161.02455	0.8
161.04565	2.4
163.06178	0.8
175.03993	0.5
179.03546	0.6
179.05656	0.8
214.98560	0.5
221.81200	0.4
231.08775	0.6
233.06599	0.8
259.08188	5.1
325.38507	0.5
327.23395	0.7
329.24893	1.0
371.29584	1.1
381.28003	2.6
383.29648	2.2
399.29077	0.7
401.30664	10.8
402.31046	1.4
423.32614	0.7
453.33780	1.3
459.34766	4.7
460.34357	0.6
461.29611	0.6
469.33139	1.7
471.34818	2.1
472.35095	0.6
479.30380	1.0
489.35831	2.2
490.37119	0.6
515.34186	0.6
531.29956	0.6
533.34741	2.3
536.71844	0.5
585.38135	1.3
591.38788	1.7
603.38806	1.3
621.40240	2.9
622.40210	0.6
623.34412	0.6
625.36066	3.0
667.36823	0.6
737.46008	0.6
747.43719	1.3
749.44965	3.1
750.45587	0.7
753.40112	0.5
759.33600	0.6
765.44794	4.4
766.44958	1.3
767.46265	16.1
768.46539	3.4
769.40515	16.6
770.41077	4.1
783.45996	1.3
787.41547	6.4
788.41455	0.8
809.47961	2.2
818.04810	0.5
829.42877	3.2
830.43243	1.3
881.49524	1.6
882.50458	0.7
893.49420	7.6
894.50232	2.0
895.50269	1.3
911.50439	100.0
912.50787	28.6
913.52014	11.2
914.52643	2.2
929.51398	46.4
930.51831	12.4
953.51538	0.6
955.52197	4.6
956.51978	1.8
971.52612	42.4
972.53046	11.6
986.03900	0.6
1015.46552	1.5
1016.45258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.624
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31595	0.6
79.61581	0.1
82.83274	0.1
83.05037	0.6
89.02522	0.1
95.05076	0.2
96.96046	0.1
98.20571	0.1
98.28440	0.1
115.90311	0.1
125.02493	0.1
182.28946	0.1
277.65698	0.1
289.07388	0.1
297.22171	0.1
306.07770	0.2
311.23981	0.2
313.22220	0.1
313.25327	0.7
315.27057	0.3
359.26047	0.1
381.31708	0.3
383.33035	0.1
391.30347	0.1
407.29520	0.4
409.31158	3.2
410.31406	0.3
425.30829	0.2
427.32224	2.3
428.32361	0.3
437.30392	0.1
453.30045	2.7
454.30447	0.5
455.31680	15.2
456.32083	2.3
471.31100	2.1
472.31229	0.3
483.31247	0.3
485.33289	0.1
486.32849	0.2
499.30649	100.0
500.30988	14.5
529.31891	0.2
1013.54309	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	1013.7162
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24486	0.2
74.71522	0.2
75.89165	0.2
116.92875	0.6
137.16956	0.2
142.06612	0.5
180.84856	0.2
191.16731	0.2
204.06718	0.4
241.51947	0.2
295.20670	0.4
357.57895	0.2
363.27057	0.8
373.29102	0.2
391.30145	1.5
392.30426	0.3
409.31067	0.2
410.10483	0.2
419.29526	0.7
437.30835	1.1
453.33640	0.7
467.31537	0.2
499.34262	74.2
500.27014	0.4
500.34576	9.7
513.35510	100.0
514.35962	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	1013.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	30.6
72.99316	4.1
73.02956	7.5
74.17309	0.3
75.00876	0.6
81.03465	0.9
83.01396	3.3
83.05072	0.5
85.02964	15.4
86.00101	0.9
86.16512	0.3
87.00885	3.6
87.04538	0.6
88.98844	0.6
89.02461	14.0
90.02821	0.3
90.44952	0.2
93.03474	0.5
95.01402	1.1
96.96024	0.8
97.02963	0.7
98.19873	0.5
99.00890	1.1
99.04539	0.9
101.02460	13.3
103.04034	3.2
109.02972	1.1
109.80140	0.3
111.00881	0.3
112.01706	0.3
113.02468	5.3
115.04008	0.9
116.92911	0.4
117.03452	0.3
119.03518	1.9
119.05057	0.5
121.02975	0.5
121.59110	0.3
123.08149	0.4
125.02473	1.3
127.04018	1.1
128.03526	0.4
131.03525	9.4
133.02975	0.6
135.04596	0.4
136.07718	0.3
137.02458	0.3
139.07683	0.7
143.03566	1.8
145.02963	0.8
145.05093	1.5
149.02469	0.4
149.04546	0.7
150.03171	0.5
160.01747	0.3
161.02449	1.7
161.04539	0.4
163.04062	0.5
163.06143	2.0
165.05588	0.5
171.10217	0.3
174.01707	0.4
175.02513	0.3
195.06622	0.4
205.07152	0.6
209.11993	0.4
210.79143	0.3
214.67786	0.3
233.06793	0.3
236.89091	0.4
243.02885	0.3
251.08205	0.6
253.09492	0.5
255.03021	0.3
257.12979	0.7
259.08273	0.7
265.09689	0.5
274.06726	0.3
277.09628	0.7
279.07751	1.1
285.22241	0.5
293.09305	1.4
300.02618	0.7
301.03421	0.4
306.07782	0.7
321.08850	2.7
327.23343	0.7
329.24814	0.8
333.24359	1.4
341.24582	0.3
347.25705	0.4
366.52402	0.4
405.26212	0.5
439.32361	0.5
453.30344	0.6
455.32010	1.7
467.31427	0.7
487.34930	2.2
488.34836	0.4
531.33252	1.8
619.38507	1.7
620.38702	0.5
634.39203	0.3
675.39020	0.3
723.26416	0.3
747.43231	2.8
748.43524	0.5
763.43799	0.4
765.44684	4.3
766.45111	1.3
805.55127	0.3
807.45667	7.5
808.45569	1.9
851.45026	0.4
893.49298	28.6
894.49634	7.6
909.48889	7.1
910.49475	2.0
911.50397	21.6
912.50800	5.1
927.50012	3.6
928.50391	1.7
953.51599	100.0
954.51965	27.9
969.51007	2.0
970.51678	0.5
981.34845	1.4
982.33746	0.5
1013.37854	2.3
1013.91730	0.4
1014.38324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	22.9
71.05054	0.3
72.01695	0.5
72.99315	3.3
73.02954	5.6
75.00888	0.5
80.96503	0.3
81.03468	1.7
81.28558	0.3
83.01402	8.0
83.05070	0.5
84.02197	0.4
85.02962	20.3
86.00095	1.2
86.03281	0.5
86.21645	0.3
87.00872	4.6
89.02457	5.4
93.03458	0.9
95.01404	3.4
96.96011	1.4
97.02972	2.6
99.00907	3.1
99.04546	1.7
101.02460	22.1
103.04008	0.6
109.02934	1.3
111.00884	1.4
111.04506	0.4
112.01656	1.3
113.02468	20.8
114.02793	0.7
114.93407	1.3
115.00356	0.6
115.04012	0.4
116.92899	0.4
119.03522	1.7
119.46224	0.3
123.08154	0.6
125.02467	2.2
127.04023	2.7
131.03526	17.2
132.03885	0.5
137.02435	1.9
139.03984	0.4
143.03526	1.9
145.05121	0.4
147.08145	0.4
155.03534	1.2
159.02921	0.3
161.04578	1.5
163.06075	0.4
167.03531	0.3
179.03600	0.4
180.12724	0.3
187.10197	0.3
231.08740	0.4
257.06750	0.5
259.08282	2.0
289.18073	0.5
309.20667	0.3
327.23270	1.1
329.24963	1.0
397.13470	0.4
423.32770	1.0
435.32507	0.5
453.33865	1.5
469.32864	0.6
567.36542	0.7
603.39355	1.8
640.41016	0.4
729.41779	0.4
736.13202	0.3
747.43427	3.3
748.44147	0.4
749.45117	13.2
750.45502	2.3
765.44647	2.4
766.44403	0.3
893.49347	100.0
894.49664	28.2
911.50391	57.5
912.32294	0.3
912.50684	14.7
953.51508	15.3
954.51666	4.6
1013.46405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	19.7
71.05034	0.4
71.53159	0.5
72.01717	0.3
72.99314	2.9
73.02956	6.3
75.50465	0.2
81.03461	1.8
83.01396	7.8
83.22499	0.2
84.02168	0.4
85.02961	21.0
86.00117	1.2
86.03314	0.2
87.00888	4.2
87.04494	0.3
89.02457	5.0
91.00452	0.2
93.03463	0.7
95.01393	3.4
95.74905	0.2
97.02966	3.0
99.00911	2.2
99.04532	2.8
99.92598	1.2
101.02459	19.1
102.02781	0.4
103.04044	1.6
108.02163	0.4
109.02975	1.7
111.00913	1.6
111.04510	0.3
112.01696	1.5
113.02468	18.4
114.02772	0.4
115.04026	0.3
116.92879	10.3
117.01935	1.0
117.92902	0.6
119.03513	1.1
123.04497	0.4
123.08180	0.4
125.02454	2.6
127.04055	1.9
129.01965	0.3
131.03526	14.6
132.03902	0.3
137.02443	2.6
139.04042	0.4
143.03528	1.8
145.05057	0.4
151.03996	0.5
155.03534	3.4
161.04593	1.7
163.06168	1.2
179.03546	0.9
179.05466	0.5
231.08626	0.5
233.06700	0.7
259.08209	3.8
277.56430	0.3
301.08902	0.2
315.23398	0.3
317.24841	0.3
327.23312	1.1
329.24863	0.9
350.75848	0.2
358.60825	0.3
373.23776	0.3
423.32593	0.8
453.33771	1.0
469.33093	0.6
471.33975	0.4
518.28101	0.3
567.36804	1.1
603.39056	1.7
729.41687	0.5
731.44049	0.6
747.43518	4.0
748.43860	0.9
749.45129	19.6
750.45557	3.9
765.45264	1.2
766.44830	0.4
791.45776	0.9
857.47424	0.5
863.47797	0.6
893.49359	100.0
894.49670	28.9
911.50397	45.5
912.50745	14.1
953.51538	17.4
954.52100	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	1013.499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	31.3
71.04158	0.6
71.04512	1.2
72.01744	0.9
72.99308	3.3
73.02544	0.7
73.02954	12.1
74.71506	0.5
75.00883	0.7
79.95750	0.6
81.03457	2.1
83.01397	9.5
83.05013	0.9
85.02960	29.9
86.00101	1.9
86.69306	0.5
87.00886	7.6
87.04530	0.6
88.76756	0.5
89.02456	9.2
93.03474	1.1
95.01389	5.6
96.96025	0.9
97.02953	4.4
98.19894	0.6
99.00911	4.7
99.04535	2.5
101.02457	34.7
109.02958	2.1
111.00882	2.3
112.01701	1.2
113.02464	24.9
119.03517	1.8
119.05003	0.7
121.32234	0.5
121.39205	0.5
125.02464	3.7
127.04031	3.6
129.01941	3.1
131.03523	23.8
133.02994	0.7
137.02473	3.1
143.03526	3.0
145.05119	0.8
155.03519	1.4
161.02461	0.9
161.04575	3.0
163.06146	0.8
165.05557	1.1
167.03552	0.8
179.03496	1.5
181.83344	0.6
209.11864	0.8
211.13432	1.3
231.08742	0.8
239.14232	0.6
240.08023	0.6
259.08246	2.0
268.56570	0.6
269.36584	0.6
273.09656	0.6
282.01804	0.6
307.00552	0.5
308.71014	0.6
315.63092	0.6
397.53076	0.7
429.30240	1.2
431.66888	0.6
438.45834	0.6
443.13541	0.6
485.15698	0.6
485.32806	1.3
486.33105	0.9
557.34686	0.7
583.35883	0.9
615.04462	0.6
619.38434	1.9
745.42743	0.8
763.42615	3.4
765.44611	19.6
766.45111	2.7
769.40485	1.5
781.44501	2.8
782.43011	0.6
823.45020	1.3
879.48059	0.8
893.49323	2.1
909.48810	100.0
910.49207	25.9
911.50378	10.3
912.50500	2.0
927.49890	60.3
928.50311	16.0
953.51019	3.2
961.64813	0.7
969.51111	65.6
970.51361	18.2
1013.44159	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	1012.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01414	30.5
71.70718	6.6
73.02950	7.8
83.01392	9.7
85.02972	26.2
87.00883	7.3
88.17593	3.8
88.98776	4.2
89.02431	9.1
95.01367	5.0
96.75900	4.0
96.96037	7.7
97.02998	6.1
101.02462	22.1
111.00920	4.4
113.02438	30.6
116.92868	5.0
119.05079	4.2
125.02506	7.0
125.63059	3.6
131.03514	12.4
142.19339	4.0
207.10379	6.7
209.11821	20.6
210.12238	10.7
254.20325	4.3
291.19565	8.4
309.20828	9.6
310.21069	15.2
397.13528	5.6
427.02634	4.9
749.44849	16.4
893.49341	100.0
909.52313	5.1
911.50409	54.0
952.56439	5.3
953.50537	22.3
1022.55298	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	1013.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	29.6
72.01714	0.4
72.99306	3.8
73.02952	9.4
75.00883	0.5
81.03481	1.5
83.01396	10.0
83.05036	0.7
85.02959	26.6
86.00101	2.2
86.03281	0.5
87.00891	4.7
87.04514	0.7
89.02458	9.0
93.03461	0.4
95.01392	3.9
96.96028	0.5
97.02959	3.0
99.00894	3.2
99.04536	2.7
101.02456	27.9
109.02943	1.5
111.00912	1.4
111.01558	0.3
112.01663	1.1
113.02464	19.2
114.02822	0.5
115.04020	0.5
116.92850	0.4
119.03518	1.8
119.05013	0.4
121.03017	0.3
125.02456	1.9
127.04035	2.8
129.01993	0.3
131.03522	20.4
132.03856	0.4
137.02481	2.4
143.03552	2.3
145.05084	0.5
149.04475	0.3
151.04086	0.4
155.03522	3.5
161.02446	0.3
161.04562	1.5
163.06148	1.7
165.05566	0.6
179.03484	0.8
197.04504	0.3
205.07327	0.3
217.07091	0.4
231.08699	0.6
233.06670	0.8
259.08206	3.8
333.24274	0.4
360.44739	0.3
429.29871	0.7
485.32547	0.8
487.34683	0.4
557.35217	0.4
583.36212	1.1
619.38489	2.3
620.38599	0.6
663.38074	0.5
745.41473	0.5
747.43292	1.2
763.42926	4.2
764.42963	0.6
765.44635	24.9
766.44794	5.0
781.44067	1.3
782.44873	0.4
807.45721	2.7
808.45325	0.4
823.44586	0.3
835.45618	0.6
893.49500	4.4
894.50024	0.6
909.48785	100.0
910.49164	25.9
911.50311	3.2
912.50323	0.4
927.49854	44.4
928.50079	11.4
953.51526	19.0
954.52045	4.4
969.51068	33.9
970.51257	10.9
1013.45032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00993	1.4
71.01389	20.2
72.01714	2.3
72.99311	2.1
73.02960	2.5
83.01404	1.5
85.02956	6.9
86.03312	1.7
87.00897	2.2
89.02444	15.2
90.02798	2.7
95.01394	1.4
98.20712	2.5
99.00847	1.1
101.02454	12.7
102.02802	2.4
103.02838	1.0
113.02450	7.5
113.06087	1.3
114.02847	1.7
116.77515	1.2
119.03532	5.4
125.02445	1.1
127.03970	1.2
131.03537	3.1
132.03795	1.1
133.02972	1.8
135.04594	1.6
143.03539	1.8
145.02953	1.0
150.03244	1.7
161.02470	5.0
161.04562	3.4
162.02753	1.4
165.05568	1.6
165.80457	1.1
174.85144	1.0
175.02582	1.6
175.03981	1.7
179.03421	1.2
179.05707	7.6
180.05925	2.7
193.04999	0.9
195.06612	1.1
220.98166	1.0
294.18512	1.1
359.14954	1.1
485.32776	4.0
486.32983	3.0
765.44122	1.7
766.44916	3.2
767.45465	4.3
768.45190	6.4
929.49847	1.7
930.51099	3.2
945.51349	4.3
946.51068	2.9
947.52045	5.4
948.51886	22.6
972.49121	2.6
1008.50507	100.0
1009.50891	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	1008.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	38.0
71.71661	3.4
72.99273	4.5
73.02940	7.7
75.00886	4.4
81.10523	3.1
83.01396	8.8
85.02953	20.9
85.28058	2.8
87.00865	9.5
87.04527	4.8
88.98830	4.7
89.02460	15.6
95.01389	5.2
97.02967	4.8
99.00903	3.7
100.97045	2.8
101.02446	27.0
103.02844	2.9
109.02984	3.5
113.02484	16.8
115.00393	8.0
116.92862	3.6
117.03436	3.0
119.03471	5.0
119.05035	9.1
121.02942	6.8
125.02470	15.9
131.03542	11.4
133.02953	13.6
134.03819	6.8
135.04518	8.5
137.02448	10.2
143.03569	4.2
145.02927	6.4
149.02391	5.1
149.06085	3.6
150.03223	6.0
160.01692	7.6
161.02464	31.3
161.04529	4.1
162.02823	3.2
164.01038	2.8
165.01900	7.9
165.05579	10.4
167.03481	6.0
175.02498	12.9
175.04004	9.0
177.05501	3.6
179.03458	9.9
193.05090	4.5
195.06494	4.3
209.11781	11.3
219.06512	3.4
223.08748	4.2
250.02362	3.0
251.08238	12.6
257.12921	8.7
265.09933	4.5
293.09290	11.8
305.06598	9.4
337.07315	3.3
361.16458	5.4
372.46738	2.9
430.59448	3.3
513.53906	3.5
549.21271	8.7
577.21527	3.5
815.28308	3.5
847.31116	17.7
866.16248	3.3
929.50745	5.2
930.50037	15.4
946.51074	7.3
947.51715	25.3
948.34033	6.5
948.52008	100.0
949.52094	11.6
977.40375	6.9
1008.51245	75.3
1009.35394	13.3
1009.50244	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	1008.502
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	17.0
72.01717	2.4
72.99318	4.3
73.02943	2.9
75.00885	2.1
83.01384	2.1
85.02953	7.8
87.00884	3.8
88.98837	3.7
89.02448	9.9
90.02787	1.7
95.01382	2.2
96.96031	1.7
101.02455	9.7
109.02979	1.4
113.02462	5.2
114.02780	1.7
115.00394	2.0
119.03528	2.8
119.05067	1.4
121.02991	2.4
124.81874	1.1
125.02467	3.5
131.03532	3.8
133.03001	5.0
134.03735	3.7
135.04518	2.8
137.02452	2.0
143.03552	1.4
144.03851	1.4
145.03027	1.6
150.03262	2.1
152.25014	1.1
160.01695	4.3
161.02487	11.0
161.04655	1.9
163.03976	2.1
165.01913	1.5
165.05629	4.5
167.03680	1.5
174.79584	1.3
175.02501	4.3
175.04039	4.5
179.03464	1.9
179.05664	1.2
180.04474	1.5
189.05602	1.4
190.02719	1.7
193.05043	2.8
195.06635	1.2
205.05133	1.3
209.11855	3.4
211.13489	1.9
290.49771	1.3
305.06784	1.7
305.29749	1.3
345.91983	1.4
361.16510	1.5
362.17102	1.5
419.71313	1.3
593.01709	1.2
730.01105	1.2
791.36230	1.2
837.22247	1.3
945.51691	9.2
946.51440	4.4
947.51648	7.4
948.51971	38.9
949.52777	4.2
1008.50745	100.0
1009.50909	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	1006.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	22.7
71.05058	1.2
71.70491	2.0
72.01727	2.5
72.99341	1.6
73.02954	5.9
78.91885	2.0
83.01413	5.9
85.02972	14.6
86.03310	2.1
87.00888	2.5
88.98836	1.6
89.02435	5.9
95.01382	1.8
97.02982	2.0
99.00878	2.8
101.02460	17.7
102.02795	2.7
113.02461	10.2
114.02795	2.1
115.02925	1.3
119.03559	1.6
121.87649	1.0
125.02486	3.8
131.03519	1.6
132.27229	1.3
159.03030	1.4
160.01735	1.7
161.02446	1.4
161.04594	3.4
185.02943	1.1
199.76176	1.2
200.48772	1.1
204.83768	1.1
209.11951	1.3
295.53485	1.2
377.09717	1.4
419.68008	1.2
441.30099	4.9
459.31265	5.7
485.28937	9.4
501.32675	1.7
503.30090	59.6
504.30542	1.5
526.10034	1.2
582.68744	1.2
770.10931	1.6
781.47174	1.8
782.47473	2.7
783.49097	6.0
784.48523	7.3
943.52783	10.6
944.53156	9.2
945.53864	19.8
946.54193	75.5
947.54919	9.4
1006.52600	100.0
1007.52893	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	1006.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	45.2
72.99315	8.1
73.02942	8.1
75.00887	13.5
83.01413	7.8
85.02966	32.7
87.00904	10.2
88.98824	9.0
89.02463	16.3
92.44215	3.9
93.03485	6.3
95.01383	7.5
98.19875	8.3
99.00887	9.1
101.02480	27.9
108.02185	4.9
111.00838	6.0
113.02478	25.9
115.00397	6.8
117.03522	5.1
119.05036	15.9
121.02980	5.7
123.04484	4.2
131.03526	8.0
133.02962	8.3
134.03783	9.0
136.01692	6.1
137.02536	5.1
145.02951	14.8
148.18591	4.2
149.02480	7.7
150.03246	10.0
151.17775	4.5
160.01669	9.8
161.02472	19.6
161.04547	7.6
163.03967	9.3
165.05592	15.3
175.02571	5.3
175.04053	13.5
181.05045	5.3
193.05077	5.4
195.06631	9.2
205.05089	7.1
209.11922	7.5
233.04572	4.5
329.14243	7.1
334.44037	5.0
337.07126	8.7
339.08743	14.7
340.08936	6.4
361.16296	7.8
369.09836	6.0
459.12784	6.6
590.08154	4.3
764.25690	4.5
928.49786	5.5
943.53107	7.4
945.52679	14.5
946.52673	100.0
947.52985	16.6
960.53229	8.9
1006.53394	64.3
1007.51208	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	17.6
71.05046	0.2
72.01716	0.3
72.99312	1.9
73.02956	3.2
75.00878	0.7
81.03462	0.2
83.01402	3.0
83.05052	0.2
84.02166	0.3
85.02966	11.4
86.00115	0.4
86.03304	0.3
87.00887	1.7
87.04530	3.0
88.98807	0.4
89.02457	6.2
93.03474	0.5
95.01407	1.6
95.05048	1.1
97.02962	0.6
98.19847	0.5
99.00905	1.5
99.04518	0.3
101.02464	15.0
101.06090	0.6
102.02771	0.3
109.02986	0.4
111.00901	0.5
111.04550	0.6
112.01691	0.6
113.02475	8.4
113.06100	1.4
114.02764	0.3
115.00372	0.2
116.92892	0.3
117.03522	0.8
119.03539	1.4
119.05030	2.2
120.06574	0.2
121.03006	0.3
123.04573	0.3
123.26001	0.2
125.02470	0.7
127.03994	0.5
129.01938	0.2
129.05618	1.0
131.03532	10.3
132.02217	0.4
133.02968	0.5
134.03723	0.6
135.04539	0.4
137.02492	0.5
143.03540	0.6
145.02988	1.5
145.05080	0.3
149.02457	0.3
149.04552	0.3
149.06087	0.3
150.03290	0.6
159.02974	0.4
159.04428	0.2
160.01686	0.9
161.02477	1.2
161.04564	1.5
163.04018	0.5
165.05569	0.6
173.02525	0.3
175.02623	0.2
175.03967	1.0
176.04611	0.2
178.02805	0.2
179.03545	0.2
179.05626	0.6
179.07063	0.2
181.05072	0.2
189.01816	0.3
191.03566	0.2
192.21826	0.2
193.05080	0.4
195.06665	0.5
205.05118	0.2
205.07005	0.2
211.07602	0.2
217.01500	1.7
218.01855	0.3
219.13828	0.4
221.06667	0.3
226.06296	0.8
227.06635	0.2
230.04854	0.2
231.02979	0.3
241.08743	0.4
241.85297	0.2
267.07172	0.4
280.07492	0.2
327.23410	0.3
329.13922	0.3
333.24396	0.2
337.07126	3.0
338.07666	1.1
339.08630	0.3
343.22745	0.3
343.26517	0.9
353.24841	0.2
355.26440	1.2
357.14130	0.2
357.28098	0.6
361.16782	0.2
369.28076	0.8
371.25845	0.3
373.27463	0.7
375.29099	0.2
379.26492	0.4
381.27628	0.9
383.12115	0.2
387.29126	0.3
399.29126	1.4
400.29221	0.3
401.26944	0.6
411.29202	0.2
417.30402	0.2
429.30118	0.5
451.32074	0.2
457.11295	2.5
457.33041	0.6
458.11511	0.9
458.33383	0.7
459.12589	0.3
459.34085	0.4
465.28638	0.2
468.46509	0.2
475.30670	0.4
485.15726	0.2
487.34940	0.9
501.32510	0.4
505.36057	1.0
513.31921	0.2
531.33325	0.7
549.34662	0.5
571.37244	0.2
577.15369	0.3
601.37341	0.5
607.38898	0.3
619.39063	0.9
620.38477	0.2
637.39752	1.2
638.40454	0.3
641.37970	0.2
765.44391	1.9
766.45209	0.5
781.44196	1.9
782.44446	0.5
783.45648	4.5
784.46301	1.0
799.45923	1.1
809.87897	0.2
927.49890	16.5
928.49927	4.1
943.52319	0.2
944.52979	0.7
945.51129	100.0
946.51428	27.5
959.53754	0.3
1005.36957	1.6
1006.53693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	27.1
72.01734	4.4
72.99319	4.1
73.02959	6.5
74.52443	1.2
83.01398	14.1
84.01723	2.2
85.02961	17.6
86.00143	1.9
86.03300	1.8
87.00912	3.6
88.98820	9.0
89.02438	7.5
90.02789	2.1
95.01400	3.1
97.02966	3.9
98.20633	3.5
99.00891	4.6
101.02462	21.5
102.02804	4.2
103.02924	1.8
103.04014	2.0
104.70976	1.2
113.02478	15.1
113.53564	1.2
114.02821	3.9
114.47301	1.2
115.02910	1.3
119.03509	1.7
125.02470	5.1
143.03511	8.3
144.03856	2.2
161.04619	7.1
162.04938	3.4
163.04950	1.8
175.73389	1.2
215.23035	1.2
427.24219	1.7
430.56427	1.6
634.40729	1.6
635.40613	1.7
636.39880	1.4
779.46387	4.9
780.46326	11.5
781.46606	27.4
782.47198	19.8
783.47418	1.7
797.45654	2.1
825.04315	1.5
941.50897	5.5
942.52203	8.1
943.52167	59.7
944.52509	100.0
945.52191	6.7
970.50439	1.6
1004.50812	32.3
1005.51715	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	1004.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	24.2
71.41943	1.6
71.42274	3.2
72.01720	2.5
73.02953	5.9
82.27596	1.7
83.01408	5.8
85.02975	15.6
86.03293	3.7
87.73161	1.5
89.02450	6.8
95.01389	3.8
97.02992	2.7
99.00874	4.5
101.02460	16.8
102.02783	4.5
113.02470	13.0
114.02788	2.0
125.02396	2.9
143.03482	3.1
161.04573	4.3
228.36414	1.7
239.22762	1.7
501.28494	8.2
502.28864	6.0
779.46716	3.6
780.46637	7.3
781.46680	15.2
782.47491	11.4
941.51111	8.3
942.52533	9.8
943.52332	39.4
944.52606	100.0
945.52271	9.5
1004.50928	57.6
1005.51581	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	1005.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74973	3.9
71.01393	31.4
72.01722	0.8
72.11312	0.5
72.99320	3.9
73.02953	4.2
75.00883	2.3
79.59766	0.5
83.01391	2.7
84.86396	0.5
85.02966	12.4
85.68681	0.5
86.00112	0.6
87.00892	3.4
87.04523	0.5
88.98827	1.0
89.01911	1.3
89.02461	19.4
93.03472	1.8
95.00828	0.6
95.01409	2.2
97.02981	0.9
99.00887	1.2
101.02466	16.2
102.02801	0.7
105.01935	1.4
109.02916	0.7
111.00909	1.1
113.02460	9.5
115.00387	0.6
115.04055	0.8
116.92891	1.0
117.03493	1.6
119.03533	5.4
119.05029	3.1
121.02938	0.7
125.02448	1.2
127.00398	0.6
127.04038	0.8
131.03528	7.9
132.02194	1.5
133.03032	0.8
134.03784	3.2
135.04524	2.0
135.05540	0.5
136.01714	0.6
137.02507	0.9
139.04054	0.6
143.03542	1.6
144.66188	0.7
144.96196	0.6
145.02971	2.1
149.02481	0.9
149.04567	1.4
150.03221	2.1
160.01703	4.2
161.02469	3.4
161.04561	1.3
163.04022	1.6
165.05585	1.9
173.02530	0.7
175.04018	3.9
176.04422	0.6
177.05554	0.6
179.03479	1.3
179.05670	1.2
187.07616	0.6
189.02029	0.9
189.05495	0.7
191.03540	1.1
193.05130	2.3
195.06607	1.8
203.03433	0.8
205.05194	0.9
205.07126	1.2
209.11966	0.7
217.01392	1.9
219.13741	0.5
226.06317	0.9
233.04524	0.6
241.08681	1.1
254.71129	0.6
255.03125	0.6
267.06894	0.8
278.20404	0.6
283.70636	0.5
329.13977	1.5
337.07230	4.2
338.07516	1.7
339.08578	2.6
340.09244	0.6
388.41241	0.7
422.40860	0.6
455.31537	0.7
457.11447	4.0
458.11661	1.5
459.12769	1.4
487.34302	4.0
488.34485	0.6
619.38452	4.0
765.44818	7.7
766.44940	1.2
783.45563	1.0
799.45453	1.0
943.52362	0.8
944.53876	3.2
945.51276	100.0
946.51385	25.2
959.51801	0.7
1005.47839	5.1
1006.52509	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	1003.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73897	0.8
71.01387	17.3
71.05029	0.4
72.01719	0.3
72.99313	2.0
73.02953	10.0
75.00873	1.5
81.03474	0.7
82.49724	0.2
82.89841	0.1
83.01392	2.6
83.05019	0.4
85.02960	29.8
86.00101	0.7
86.03287	0.6
87.00884	6.1
87.04527	1.5
88.98816	4.2
88.99283	0.1
89.02457	3.2
95.01395	1.8
97.02969	1.8
99.00898	2.0
99.04543	2.1
101.02458	15.2
102.02808	0.4
103.04026	1.3
109.02951	0.6
111.00888	0.5
113.02468	6.7
114.02811	0.2
115.04044	1.7
116.92841	0.2
119.03507	0.9
119.04996	0.3
121.02985	0.2
123.04538	0.2
125.02479	1.4
127.04026	2.9
129.01932	0.5
131.03519	2.3
133.02974	0.7
135.04515	0.2
137.02492	0.2
139.00320	0.2
143.03529	3.9
145.03052	0.2
145.05095	2.0
159.02991	0.6
160.01642	0.2
160.07065	0.1
161.02487	1.9
161.04550	1.7
163.06128	0.7
165.05551	0.1
175.04068	0.2
175.80902	0.1
179.03571	0.2
181.04903	0.2
185.04512	0.2
205.07181	1.5
229.06989	0.2
231.08708	1.6
247.08223	1.7
291.10904	1.6
293.75928	0.1
295.05145	0.1
309.12054	0.2
337.07162	0.2
349.84399	0.1
351.12991	1.3
401.77618	0.2
455.31662	0.4
457.11362	0.2
457.33224	1.1
458.33459	0.1
469.32990	0.2
489.36478	1.6
533.34760	0.4
534.34900	0.2
569.54590	0.2
612.37201	0.2
651.41113	2.5
652.41083	0.4
679.37305	0.9
783.61444	0.1
797.47040	0.7
801.42743	2.0
802.42859	0.3
841.40540	1.8
842.41327	0.5
925.52063	0.5
929.50970	0.2
943.53088	100.0
944.53430	28.2
957.51447	0.8
958.50598	0.2
1003.41803	0.7
1004.45795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01151	0.4
71.01488	0.8
71.04766	0.4
71.05123	0.7
71.70858	0.7
81.12035	0.3
84.02315	0.4
88.98908	0.7
96.96193	1.1
99.92742	0.4
113.02573	0.4
116.93035	1.1
117.08942	0.3
125.02524	0.3
131.71313	0.4
134.04797	0.4
135.21062	0.4
171.10423	0.5
174.36560	0.3
259.98404	0.3
297.50391	0.3
309.20776	0.6
310.21265	0.5
311.21594	0.4
349.25327	3.4
350.25928	0.8
365.28714	0.7
367.26425	13.0
368.26672	1.7
377.28705	0.7
379.30020	0.5
393.31650	0.8
395.29672	0.8
403.30219	0.5
405.31720	0.3
423.33148	1.9
425.30859	1.0
437.30820	0.9
439.32434	0.9
440.32590	0.5
441.29639	0.7
441.34656	0.7
441.73373	0.5
455.31702	4.6
456.32196	0.8
467.31659	11.2
468.31995	1.4
471.35266	0.4
483.31299	2.9
484.31461	3.9
485.32724	95.9
486.33081	12.7
501.32230	14.7
502.32590	1.9
517.31683	100.0
518.32025	15.3
518.39880	0.6
519.32184	0.8
589.32074	0.5
618.94232	0.4
757.09894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	20.9
72.01737	0.2
72.99313	2.5
73.02949	5.1
75.00885	0.4
81.03459	0.3
83.01396	8.5
83.01872	0.5
84.01729	0.3
85.02959	13.1
86.00114	0.6
86.03290	0.3
87.00883	3.6
87.04515	0.8
88.00405	0.5
88.98816	36.7
89.02452	8.8
89.99150	0.4
93.03460	0.3
95.01393	3.5
97.02971	2.9
98.19736	0.5
99.00914	2.8
99.04537	0.5
101.02459	17.2
103.04025	1.9
109.02946	0.4
111.00895	0.4
112.01705	0.6
113.02463	13.2
114.02781	0.3
115.04015	0.6
116.92857	0.3
119.03525	2.2
119.05038	0.6
125.02470	4.0
127.04025	0.8
131.03514	0.7
131.09637	0.3
133.03001	0.4
134.03720	0.3
137.02429	0.3
143.03519	7.0
145.03056	0.4
145.05084	0.3
149.04626	0.3
160.01694	0.4
161.02521	0.5
161.04575	8.0
163.04079	0.4
165.05508	0.4
175.03979	0.4
179.05649	0.5
189.09312	0.7
209.11870	0.5
289.09375	0.5
344.60461	0.3
455.35489	0.4
456.35632	0.4
471.34616	0.4
473.36389	1.4
474.37051	0.3
569.38971	0.7
626.39038	0.3
635.41962	3.6
636.41901	0.9
638.78491	0.3
781.47705	22.4
782.47943	4.8
782.61212	0.5
797.47620	1.3
798.46539	0.3
817.41626	0.4
913.51709	0.7
943.53076	100.0
944.53387	25.3
1003.50513	1.0
1004.53180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	24.2
72.01746	0.3
72.99306	1.5
73.02953	6.4
74.03293	0.3
75.00876	0.6
81.03465	0.2
83.01394	5.3
84.02160	0.2
85.02959	14.6
86.00112	0.3
86.03286	0.4
86.88070	0.2
87.00886	2.1
87.04530	0.5
88.98833	0.6
89.02453	6.3
95.01402	2.6
97.02964	1.9
99.00890	4.0
99.04520	0.1
101.02457	17.8
102.02795	0.5
103.04015	0.9
104.65806	0.1
111.00913	0.3
112.01703	0.4
113.02464	13.9
114.02808	0.3
115.04031	0.4
119.03528	2.0
125.02460	2.5
125.17911	0.1
126.75314	0.1
127.04074	0.2
129.01942	0.4
131.03517	0.9
139.00352	0.2
143.03516	2.4
148.89153	0.1
159.03024	1.6
161.04573	4.3
163.06163	0.3
179.05597	0.4
205.07187	0.3
283.56042	0.2
349.29114	0.2
376.46509	0.2
385.31067	0.3
387.30872	0.2
397.42035	0.2
471.34219	0.2
473.36429	1.8
474.36658	0.4
569.38275	0.5
635.42065	0.7
779.45514	0.3
780.46484	0.4
781.47681	14.4
782.47858	2.8
784.98914	0.2
797.47089	1.3
798.47369	0.3
941.51025	0.3
942.52649	0.8
943.53033	100.0
944.53394	24.5
944.67584	0.5
1003.51868	0.2
1004.50690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	25.0
71.04234	0.5
72.01715	0.5
72.87851	0.2
72.99312	3.1
73.02954	4.5
74.39826	0.3
75.00874	0.9
75.72041	0.3
77.38560	0.2
81.03465	0.6
83.01408	2.8
83.05036	0.3
83.72681	0.3
83.98828	0.2
85.02961	14.6
86.00082	0.3
86.03267	0.3
87.00893	2.6
87.04562	0.4
88.39163	0.2
88.98817	21.3
89.02453	12.5
95.01403	1.9
95.05051	0.3
95.16194	0.2
97.02948	0.6
99.00882	2.0
99.04550	0.3
101.02458	16.0
102.02745	0.4
103.04032	1.3
105.01940	1.0
111.00910	0.6
113.02464	8.5
115.04006	0.4
116.92845	0.3
119.03523	2.6
119.05045	1.0
122.06097	0.3
125.02489	0.8
127.04039	0.9
128.29498	0.2
131.03529	8.6
133.03017	1.4
134.03749	0.5
135.04558	2.7
137.02473	0.4
143.03488	1.7
145.02972	0.5
149.04576	0.8
149.06042	0.4
150.03293	0.4
151.00407	0.3
159.03003	0.3
160.01680	0.6
161.01122	0.3
161.02477	4.9
161.04555	1.2
162.02762	0.3
163.03978	0.5
163.06140	0.5
165.05548	0.4
175.04053	0.6
177.05576	0.5
179.03539	1.9
179.05646	0.7
190.02715	0.4
205.07138	0.5
209.11858	0.3
221.04550	0.4
229.41130	0.3
247.08328	0.5
267.07300	0.4
279.60461	0.3
323.07681	1.3
324.36481	0.3
337.07233	0.3
416.24265	0.3
471.31244	1.8
483.31161	0.9
503.30469	0.5
503.32999	0.5
510.55655	0.3
519.18872	0.3
547.32715	0.8
587.80713	0.3
599.35730	0.4
609.36493	0.4
635.38080	3.5
636.38647	0.9
665.79828	0.3
679.37097	0.8
771.42078	0.4
781.44055	8.2
782.43823	1.3
797.43622	5.0
798.43536	0.9
801.42871	2.6
885.43842	0.4
895.49762	0.5
896.51605	0.5
925.49744	0.4
942.52649	0.7
943.49640	100.0
944.49951	22.6
957.51935	0.4
1003.47034	4.6
1004.46631	1.4
1022.17737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.536
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47192	0.6
71.01385	28.0
72.01725	0.3
72.99315	1.3
73.02950	8.1
75.00885	0.5
77.99377	0.1
80.40453	0.1
81.03465	0.3
83.01390	5.3
83.92138	0.1
84.02173	0.3
85.02956	17.5
85.45337	0.1
86.00096	0.7
86.03286	0.4
87.00886	2.3
87.04530	0.3
89.02453	7.2
95.01399	3.5
96.01723	0.2
97.02966	2.0
98.19928	0.2
99.00893	4.0
101.02455	19.8
102.02811	0.3
103.04043	0.7
109.02985	0.3
110.99631	0.2
111.00884	0.4
112.01692	0.4
113.02461	16.2
114.02836	0.4
115.04025	0.7
119.03510	2.3
123.08209	0.2
125.02453	2.8
127.04078	0.3
129.01962	0.4
131.03510	0.9
136.84955	0.1
139.00417	0.2
141.01927	0.2
143.03516	2.7
145.05037	0.3
159.02986	1.6
161.04575	4.5
163.06151	0.3
173.29672	0.2
175.03978	0.2
179.05608	0.7
200.63759	0.2
205.07167	0.4
221.42175	0.1
233.06621	0.2
244.49609	0.2
298.79849	0.1
325.08118	0.2
327.23273	0.5
329.24890	1.0
347.25772	0.3
377.03357	0.2
423.32654	0.7
453.33685	1.2
567.36841	0.4
620.63715	0.2
633.40198	1.0
752.45892	0.2
779.46106	21.7
780.46338	4.9
795.45587	2.5
796.46497	0.5
895.50427	0.3
896.49963	0.2
897.50873	1.4
915.52356	0.7
941.51544	100.0
942.51868	30.3
957.54108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	19.1
71.05010	0.3
71.18259	0.2
72.99311	2.3
73.02953	11.0
75.00880	1.8
81.03471	1.0
83.01399	3.6
83.05025	0.3
85.02961	26.7
86.00112	1.1
86.03317	0.6
87.00884	6.2
87.04539	1.1
88.98815	1.6
89.02459	3.5
93.03467	0.3
94.06654	0.3
95.01395	1.5
97.02951	2.0
99.00906	2.2
99.04529	2.3
101.02462	16.1
102.02856	0.3
103.04031	1.6
105.01958	0.7
109.02956	1.3
110.06136	0.3
111.00919	0.7
113.02466	7.0
115.04039	1.3
116.92876	0.3
119.03528	0.7
119.05047	0.3
120.08210	1.4
121.05350	0.3
122.06142	5.3
123.06453	0.4
125.02468	2.1
125.91404	0.2
127.04026	3.8
129.02011	0.6
131.03529	3.1
133.03014	0.5
134.03767	0.5
134.06140	0.8
135.04527	0.4
137.02446	0.4
143.03534	3.2
144.04565	1.0
145.03009	0.4
145.05093	1.8
149.02493	0.5
150.03297	0.5
159.02982	0.5
160.01657	0.5
161.02458	1.2
161.04593	1.7
162.05672	0.5
163.06125	0.8
164.07146	0.3
165.05515	0.6
167.03548	0.4
174.05508	0.3
179.03574	0.3
179.05553	0.4
188.03554	0.6
189.12889	0.4
203.05891	1.9
204.06642	0.4
205.05475	0.3
205.07129	1.6
209.10971	0.3
215.12029	0.4
223.08777	0.3
227.11803	0.4
231.08725	1.3
236.09566	0.7
237.10223	0.6
238.11079	0.4
247.08235	2.2
249.10255	0.6
250.10922	0.4
251.08292	0.3
251.11909	2.0
252.12257	0.4
253.13217	0.3
261.10178	0.6
262.07425	0.6
262.11285	0.4
263.08261	0.6
263.11926	1.1
263.63181	0.3
264.08942	0.7
265.09772	0.8
265.13571	0.5
266.10544	0.3
267.07205	0.4
267.11407	0.4
269.13007	0.8
275.08145	1.3
275.12048	0.3
276.09052	0.9
277.09808	6.0
278.10464	2.2
279.11255	0.7
287.14108	0.5
289.09747	0.4
290.10510	1.8
291.11319	5.9
292.12067	2.8
293.09442	0.5
293.12766	1.5
294.13098	0.3
305.09406	0.3
310.09631	0.6
313.12115	0.3
317.09363	0.5
317.24432	0.3
318.10046	3.4
319.10818	1.8
324.10980	0.5
325.11771	0.4
335.10449	1.2
336.11108	2.0
337.11627	0.6
343.13040	1.1
344.14020	0.7
345.14725	0.3
346.15524	0.6
350.08557	0.3
351.12805	0.5
358.15622	0.7
360.17035	0.6
372.13043	0.4
372.17249	0.7
374.18927	0.4
380.81952	0.3
384.13290	0.6
386.15091	0.8
387.15567	0.4
388.16849	0.4
398.15179	0.6
399.16013	0.5
400.16711	1.6
401.17328	0.3
406.17661	0.3
412.16962	0.5
413.17487	0.4
414.18149	2.1
415.18652	0.5
418.17734	0.9
428.16449	0.4
429.16763	0.4
440.16022	1.0
441.16888	0.4
458.17050	1.7
459.18033	0.7
460.18515	0.6
467.66043	0.3
472.18408	0.6
476.18475	0.5
481.22327	0.3
490.19818	3.2
491.20291	0.4
508.20999	0.3
509.22110	0.4
515.30365	0.6
519.29651	0.4
551.22418	0.5
563.23163	1.0
576.93768	0.3
581.23993	2.6
582.24554	0.6
599.24847	0.5
600.26141	0.3
609.36597	0.8
610.36853	1.4
611.37366	1.2
613.26550	2.1
614.27289	0.8
617.16595	0.3
631.28131	2.4
632.28015	3.5
633.18414	0.4
633.28412	2.9
657.34027	0.5
674.29315	0.9
675.29675	1.2
777.45074	0.4
779.43268	0.7
795.45673	1.0
796.45038	0.5
806.38922	0.6
846.38599	1.2
847.38715	0.5
848.40332	0.3
860.40210	0.9
878.40961	3.7
879.41113	1.5
927.44031	0.4
928.44598	0.4
941.51508	100.0
942.51788	22.7
951.44519	0.5
957.52820	0.5
969.44629	1.1
970.44836	0.5
971.47021	0.5
972.47980	0.5
983.47015	4.1
984.47314	1.0
1001.48047	15.7
1002.48633	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	1000.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94798	2.6
69.95248	2.4
71.01395	33.8
72.01715	3.3
72.99345	3.6
73.02950	17.5
74.81122	2.5
83.01413	8.1
85.02962	45.5
86.00140	3.1
87.00898	21.2
88.00443	5.7
88.98266	3.8
88.98813	63.8
88.99325	3.7
89.02464	10.6
97.03015	2.5
98.19756	2.1
99.00906	4.5
101.02467	32.2
102.02774	4.9
103.04019	2.8
113.02484	10.2
115.04013	3.3
119.03601	2.1
125.02408	3.6
127.04070	3.8
131.03514	20.4
132.03810	4.5
133.03995	2.4
143.03519	8.7
145.05049	2.6
151.43770	2.3
159.66623	2.3
161.04631	3.0
172.87794	2.4
205.07312	2.6
234.84018	2.4
247.08128	2.9
251.66695	2.6
303.05063	2.4
489.09488	2.7
577.31354	3.2
771.03589	2.8
795.46527	3.1
796.45917	7.6
878.50403	10.9
879.51172	18.2
880.50513	39.1
881.51038	3.7
896.51263	4.6
897.51501	20.8
898.51721	25.6
939.52472	18.0
940.52789	72.1
941.51642	100.0
956.53479	10.0
958.51282	6.4
1000.51648	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	1000.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	38.8
72.01717	1.8
72.99326	3.1
73.02946	12.2
75.00851	1.6
83.01393	10.6
85.02962	26.1
86.00125	2.1
87.00879	18.8
88.00415	9.4
88.01236	1.9
88.98818	98.2
89.02457	14.7
95.01411	4.6
97.02973	2.8
99.00894	4.9
101.02456	25.7
102.02807	2.1
103.04004	2.8
113.02457	17.0
117.51236	1.4
119.03527	2.0
125.02442	3.0
127.03930	1.9
128.91676	1.4
131.03529	10.5
132.03873	1.4
135.04436	1.9
143.03522	5.6
159.03012	1.7
161.04565	6.6
184.50626	1.4
317.24817	2.2
394.81735	1.4
551.23511	1.5
763.35669	1.6
779.46277	16.6
794.44836	5.5
795.44629	4.3
796.45911	4.0
812.47095	1.8
878.50079	5.4
879.50403	18.0
880.50598	28.9
896.50671	2.4
897.51892	8.8
898.52130	15.6
911.50940	4.2
938.51276	2.7
939.52795	11.1
940.52740	33.1
941.51599	100.0
958.52020	11.1
1000.51685	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	1001.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	19.1
71.05010	0.3
71.18259	0.2
72.99311	2.3
73.02953	11.0
75.00880	1.8
81.03471	1.0
83.01399	3.6
83.05025	0.3
85.02961	26.7
86.00112	1.1
86.03317	0.6
87.00884	6.2
87.04539	1.1
88.98815	1.6
89.02459	3.5
93.03467	0.3
94.06654	0.3
95.01395	1.5
97.02951	2.0
99.00906	2.2
99.04529	2.3
101.02462	16.1
102.02856	0.3
103.04031	1.6
105.01958	0.7
109.02956	1.3
110.06136	0.3
111.00919	0.7
113.02466	7.0
115.04039	1.3
116.92876	0.3
119.03528	0.7
119.05047	0.3
120.08210	1.4
121.05350	0.3
122.06142	5.3
123.06453	0.4
125.02468	2.1
125.91404	0.2
127.04026	3.8
129.02011	0.6
131.03529	3.1
133.03014	0.5
134.03767	0.5
134.06140	0.8
135.04527	0.4
137.02446	0.4
143.03534	3.2
144.04565	1.0
145.03009	0.4
145.05093	1.8
149.02493	0.5
150.03297	0.5
159.02982	0.5
160.01657	0.5
161.02458	1.2
161.04593	1.7
162.05672	0.5
163.06125	0.8
164.07146	0.3
165.05515	0.6
167.03548	0.4
174.05508	0.3
179.03574	0.3
179.05553	0.4
188.03554	0.6
189.12889	0.4
203.05891	1.9
204.06642	0.4
205.05475	0.3
205.07129	1.6
209.10971	0.3
215.12029	0.4
223.08777	0.3
227.11803	0.4
231.08725	1.3
236.09566	0.7
237.10223	0.6
238.11079	0.4
247.08235	2.2
249.10255	0.6
250.10922	0.4
251.08292	0.3
251.11909	2.0
252.12257	0.4
253.13217	0.3
261.10178	0.6
262.07425	0.6
262.11285	0.4
263.08261	0.6
263.11926	1.1
263.63181	0.3
264.08942	0.7
265.09772	0.8
265.13571	0.5
266.10544	0.3
267.07205	0.4
267.11407	0.4
269.13007	0.8
275.08145	1.3
275.12048	0.3
276.09052	0.9
277.09808	6.0
278.10464	2.2
279.11255	0.7
287.14108	0.5
289.09747	0.4
290.10510	1.8
291.11319	5.9
292.12067	2.8
293.09442	0.5
293.12766	1.5
294.13098	0.3
305.09406	0.3
310.09631	0.6
313.12115	0.3
317.09363	0.5
317.24432	0.3
318.10046	3.4
319.10818	1.8
324.10980	0.5
325.11771	0.4
335.10449	1.2
336.11108	2.0
337.11627	0.6
343.13040	1.1
344.14020	0.7
345.14725	0.3
346.15524	0.6
350.08557	0.3
351.12805	0.5
358.15622	0.7
360.17035	0.6
372.13043	0.4
372.17249	0.7
374.18927	0.4
380.81952	0.3
384.13290	0.6
386.15091	0.8
387.15567	0.4
388.16849	0.4
398.15179	0.6
399.16013	0.5
400.16711	1.6
401.17328	0.3
406.17661	0.3
412.16962	0.5
413.17487	0.4
414.18149	2.1
415.18652	0.5
418.17734	0.9
428.16449	0.4
429.16763	0.4
440.16022	1.0
441.16888	0.4
458.17050	1.7
459.18033	0.7
460.18515	0.6
467.66043	0.3
472.18408	0.6
476.18475	0.5
481.22327	0.3
490.19818	3.2
491.20291	0.4
508.20999	0.3
509.22110	0.4
515.30365	0.6
519.29651	0.4
551.22418	0.5
563.23163	1.0
576.93768	0.3
581.23993	2.6
582.24554	0.6
599.24847	0.5
600.26141	0.3
609.36597	0.8
610.36853	1.4
611.37366	1.2
613.26550	2.1
614.27289	0.8
617.16595	0.3
631.28131	2.4
632.28015	3.5
633.18414	0.4
633.28412	2.9
657.34027	0.5
674.29315	0.9
675.29675	1.2
777.45074	0.4
779.43268	0.7
795.45673	1.0
796.45038	0.5
806.38922	0.6
846.38599	1.2
847.38715	0.5
848.40332	0.3
860.40210	0.9
878.40961	3.7
879.41113	1.5
927.44031	0.4
928.44598	0.4
941.51508	100.0
942.51788	22.7
951.44519	0.5
957.52820	0.5
969.44629	1.1
970.44836	0.5
971.47021	0.5
972.47980	0.5
983.47015	4.1
984.47314	1.0
1001.48047	15.7
1002.48633	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	1000.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	26.1
72.01730	4.0
72.47854	2.4
72.94654	2.5
72.99326	7.3
73.02943	11.1
83.01409	5.8
84.40724	2.6
85.02966	26.0
86.03288	3.3
87.00898	9.9
88.00397	5.2
88.98820	45.3
89.02441	8.7
98.66454	2.7
101.02457	23.8
102.02779	6.3
103.04019	4.6
113.02475	3.9
131.03511	20.0
132.03851	4.9
133.03915	3.0
159.95067	2.5
229.37970	2.8
239.10062	3.0
266.34659	2.6
317.25195	3.7
318.24918	3.0
407.20212	2.5
752.46112	4.5
878.50537	11.6
879.50720	33.4
880.50800	56.7
896.50702	5.8
897.51862	24.7
898.52057	35.5
938.51660	5.6
939.52277	29.4
940.52893	100.0
941.52777	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	999.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	2.0
71.04978	42.8
71.05370	2.3
71.19642	2.6
73.02904	5.2
75.04453	4.6
79.05476	9.7
81.03400	17.9
81.07040	29.0
83.01347	1.4
83.04961	36.9
83.08607	5.5
85.02886	100.0
85.06500	1.1
87.00813	14.6
87.04455	2.5
91.05462	10.7
91.78654	1.0
93.07026	22.7
94.07359	1.2
95.04952	6.1
95.08591	32.6
96.08881	1.1
97.02869	68.0
97.06525	3.0
97.10130	2.7
99.04433	13.5
101.06014	1.2
103.03929	1.6
105.01196	1.8
105.01842	18.7
105.07004	16.8
107.04913	2.3
107.08570	33.6
109.02861	16.5
109.06512	4.2
109.10132	37.0
111.04419	42.8
111.08076	2.4
113.05977	2.5
115.03907	13.5
117.01818	1.3
117.06992	3.5
119.08558	27.3
121.06475	2.6
121.09251	1.7
121.10120	29.8
122.10448	1.5
123.08051	3.7
123.11681	56.0
124.11977	1.4
125.05953	1.5
127.03889	39.3
128.04193	1.0
129.01817	1.3
129.05455	26.1
129.06976	2.3
131.08548	8.9
133.04965	1.8
133.06438	1.2
133.10104	22.5
135.08020	3.9
135.11670	27.7
136.12036	1.7
137.02319	1.0
137.05975	1.1
137.09575	1.0
137.13231	5.6
139.03876	4.9
139.07448	1.3
139.11195	1.6
143.08511	6.4
145.04927	21.5
145.06125	1.7
145.10092	13.4
147.06496	13.8
147.08064	2.5
147.11656	15.2
149.05978	1.2
149.09610	2.8
149.13255	8.2
151.03848	1.4
151.07474	2.0
153.05486	1.6
153.09082	1.5
155.08539	1.4
157.04912	1.5
157.10083	6.3
159.02820	4.2
159.08023	2.1
159.11670	16.0
161.09575	2.4
161.13228	12.0
163.07509	2.0
163.11124	2.8
163.14798	8.2
165.05464	1.5
165.07550	1.1
165.09004	1.4
169.04927	1.7
169.10117	2.3
171.06468	2.9
171.11636	6.5
173.09648	4.7
173.13235	11.6
175.11163	2.3
175.14804	6.8
177.09067	1.5
177.12729	2.9
177.16367	3.5
179.10660	2.0
179.14259	1.7
183.11745	2.5
185.13164	6.4
186.05711	1.0
187.09631	1.2
187.11156	1.6
187.14778	10.1
189.03928	2.8
189.09042	1.3
189.16359	9.0
191.10628	3.6
191.17882	9.3
193.12250	2.1
195.06462	1.1
195.11656	1.1
197.13275	1.8
199.14786	4.0
201.11108	1.5
201.12794	2.8
201.16403	7.8
203.10703	1.4
203.14253	1.4
203.17914	9.0
205.12245	2.0
207.06525	1.5
207.17545	1.3
209.13286	1.1
211.14854	1.2
213.03848	5.7
213.12794	1.5
213.16339	3.9
215.05498	2.0
215.17935	4.1
217.12177	1.8
217.19402	2.3
219.13765	2.6
221.15356	1.3
221.18997	1.3
223.05943	2.6
225.07552	10.5
225.16293	1.2
227.14322	1.7
227.17841	2.6
229.15894	2.2
231.04936	14.5
231.13713	2.3
233.06541	2.3
233.15308	2.1
237.07510	2.8
241.07056	1.4
241.19452	2.0
243.08577	7.2
243.21014	1.1
245.15343	2.4
247.16856	7.9
249.06059	5.9
253.19461	1.5
255.08832	1.3
255.21017	2.9
261.09689	2.8
261.18619	1.1
267.21042	2.2
269.22437	1.3
273.06097	1.3
273.18457	1.1
273.21973	1.5
279.10678	15.9
295.23810	1.1
297.22137	1.5
299.20050	1.1
301.21729	2.0
313.21579	3.2
313.25046	1.3
314.25992	1.0
315.10730	1.3
315.23248	5.2
322.60733	1.0
323.27286	1.2
327.07050	1.4
327.23199	1.1
341.08575	1.6
341.24365	1.1
343.82620	1.1
345.08218	1.3
358.69626	0.9
359.09525	1.5
363.08997	1.1
369.27917	6.9
373.27304	4.2
381.27795	1.2
383.29599	1.1
387.28809	3.4
391.28491	12.3
391.33365	2.1
395.11746	1.2
395.33084	2.3
401.31470	1.1
409.34525	5.0
410.34268	1.2
419.33127	3.1
437.34106	27.9
438.34259	2.5
441.29926	3.3
453.33621	4.1
455.35138	89.6
456.35358	12.4
465.33408	1.5
467.35339	6.1
479.35251	1.4
481.36356	1.1
491.35596	1.2
497.36209	2.6
507.34436	2.6
509.36325	1.9
529.36499	1.4
533.36035	4.3
545.36340	1.6
547.37714	14.8
548.37781	1.3
551.37115	4.2
563.36908	1.5
565.38770	14.7
566.38617	2.3
583.39240	1.5
587.39392	2.4
642.92969	1.1
649.36945	1.4
663.90314	1.2
667.38379	1.2
772.71094	1.1
942.87000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.6675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07058	1.1
71.07366	4.8
71.08603	1.1
71.80139	0.4
71.80499	0.6
72.82487	0.4
79.05482	2.1
81.03404	1.1
81.07039	2.5
83.08609	0.9
85.02898	0.7
85.10155	1.0
86.09694	41.1
91.03985	0.5
91.05456	1.1
93.07013	1.8
95.04985	0.8
95.08596	2.2
97.02870	0.7
97.06485	0.6
97.10143	0.6
98.98481	2.3
104.10725	86.2
105.06986	1.2
105.11002	0.6
107.04961	0.6
107.08567	0.7
109.06504	0.6
109.10138	1.2
119.08568	0.8
121.10114	0.6
123.11705	0.6
124.99989	23.1
133.10143	0.8
136.17101	0.5
139.03914	0.9
147.11671	0.5
163.01529	0.7
163.03897	0.8
181.02559	0.6
184.07315	88.3
185.07642	1.0
241.41873	0.5
258.11011	0.8
273.18298	0.5
283.26126	0.6
313.27374	2.1
478.32922	8.6
496.33926	100.0
497.34192	4.2
581.71606	0.4
998.40668	1.0
998.59357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03754	0.4
70.07182	0.5
70.07605	1.3
71.01338	0.9
71.04979	21.9
71.08601	0.5
73.02905	3.4
73.06521	0.3
75.04473	2.6
77.03922	0.6
79.05473	7.4
80.65130	0.3
81.03405	6.5
81.07041	21.1
81.76626	0.4
83.04964	13.2
83.08601	4.9
85.02888	46.4
85.06517	1.2
86.03218	0.5
87.00817	4.9
87.04460	2.1
91.05457	9.2
93.06422	0.4
93.07027	19.2
95.04943	3.3
95.08591	28.5
97.02873	32.7
97.06511	3.5
97.10155	4.7
98.03225	0.5
99.04432	4.7
99.08057	0.7
103.03938	0.8
103.05417	0.8
105.01839	5.1
105.07008	15.2
107.04922	0.9
107.08572	30.3
108.08897	0.5
109.02871	4.0
109.06499	3.2
109.10137	38.2
110.10470	0.9
111.04423	8.9
111.08069	2.3
111.11686	1.5
113.05968	0.5
113.09618	0.5
115.03912	4.7
115.05478	0.4
117.05460	0.4
117.06994	3.1
119.05989	0.3
119.08559	20.9
121.06512	1.9
121.10121	24.4
122.10458	0.7
123.04418	0.5
123.08041	2.4
123.11686	20.8
125.05952	0.8
125.09612	4.8
127.03891	15.6
127.11174	1.6
128.06172	0.5
129.05455	11.6
129.06973	0.9
130.07780	0.6
131.08545	7.3
133.04971	0.8
133.06432	0.6
133.10104	19.4
135.08073	2.9
135.11665	24.6
136.11963	0.5
137.05997	0.6
137.09590	1.3
137.13228	6.0
139.03876	1.4
139.07521	1.1
139.11154	1.6
142.07773	0.4
143.08542	4.7
143.10625	0.8
144.09251	0.7
145.04935	11.4
145.10097	11.2
145.11214	0.8
147.06502	4.7
147.08012	1.3
147.11665	12.3
148.12018	0.6
149.05957	0.7
149.09616	1.7
149.13231	8.7
151.07524	1.1
151.11177	1.0
151.14822	1.4
153.05414	0.6
153.09094	1.1
153.12712	1.1
155.08559	1.5
156.09302	0.7
157.10117	6.0
158.10878	0.6
159.02866	1.0
159.08043	1.0
159.11659	11.6
160.12006	0.4
161.09586	2.2
161.13235	9.4
163.07492	3.2
163.11154	1.4
163.14798	7.0
165.05431	0.5
165.09108	1.5
165.12714	1.0
165.16371	0.5
167.10715	0.8
169.04929	0.6
169.10127	2.3
170.10869	0.5
171.06480	1.0
171.11661	5.2
173.09676	0.9
173.13228	9.3
175.07736	0.4
175.11180	1.6
175.14789	6.4
177.09071	1.9
177.12756	1.2
177.16315	3.0
179.10637	1.7
179.14308	1.5
179.17920	0.4
181.12282	0.6
183.11656	2.3
185.09590	0.5
185.13216	5.6
186.14015	0.4
187.11137	0.6
187.14775	8.9
188.15204	0.5
189.09138	1.6
189.12730	1.4
189.16364	7.2
191.10669	1.5
191.14285	1.2
191.17917	5.7
193.12209	1.0
193.15823	0.6
193.19496	1.4
195.11710	0.5
197.13246	1.9
198.13882	0.5
199.11250	0.4
199.14746	4.6
201.12666	1.1
201.16368	6.6
203.10641	1.3
203.14296	1.7
203.17908	6.2
205.12187	1.2
205.15872	1.0
205.19490	0.9
207.06494	0.4
207.13858	0.6
207.17450	2.0
209.13249	1.3
211.14821	1.5
212.15422	0.4
213.03868	0.9
213.12869	0.8
213.16325	3.5
214.41522	0.4
215.05399	0.9
215.14331	1.2
215.17883	3.0
217.12195	1.3
217.15874	1.2
217.19525	2.4
219.13788	1.6
219.21068	1.2
221.15334	0.5
221.18944	0.5
223.14716	0.5
225.07510	2.7
225.16331	1.5
227.14279	0.7
227.17874	2.0
229.15924	1.7
229.19502	1.5
231.04958	7.0
231.13745	2.1
231.17450	1.2
233.06496	0.5
233.15308	2.5
235.16942	0.5
237.07545	0.7
237.16408	0.8
239.17934	1.3
241.15927	0.8
241.19431	1.4
243.08661	2.1
243.17348	0.8
243.21039	1.7
245.15436	1.9
247.16954	2.8
247.20500	0.4
249.05978	2.3
249.18637	0.6
251.17964	1.1
253.19455	1.4
255.17447	0.7
255.20992	2.8
257.18982	0.7
257.22302	0.4
259.16806	1.0
261.09470	0.5
261.18460	0.5
265.19458	0.6
267.21051	1.1
269.18881	0.5
269.22614	1.4
271.16943	0.5
271.20547	0.6
273.18533	0.8
273.22110	0.4
275.20065	1.0
279.10687	2.0
279.21042	0.5
281.22537	0.6
283.20639	0.9
283.23981	0.7
285.18481	1.1
285.22162	0.8
289.21738	0.5
293.22388	0.6
295.20764	0.4
295.24136	1.8
297.22095	1.1
297.25607	0.9
299.20029	1.0
299.23526	0.5
301.21381	1.1
303.23132	0.9
309.25781	1.4
311.23746	0.6
313.21545	1.6
313.25262	2.0
315.23105	3.2
323.27332	1.6
325.25333	0.5
327.23340	0.6
327.26813	1.0
331.26376	0.7
333.25916	0.8
339.23148	0.7
339.26779	0.6
341.08652	0.7
341.28378	0.7
349.27863	0.5
351.26831	1.2
355.26181	0.9
357.24176	2.1
357.28058	0.5
363.26776	0.4
369.27798	9.7
369.32272	0.6
373.27417	1.6
377.31961	1.2
381.27933	1.2
387.28860	3.2
391.28534	3.3
391.33258	0.7
395.33017	3.1
399.28992	1.7
401.31955	0.7
405.29956	0.6
407.33011	1.5
409.34558	2.4
417.30048	1.5
419.32980	4.4
425.34119	2.6
427.35236	0.5
437.34113	16.9
438.34671	1.0
439.35605	3.4
443.34845	0.7
455.35147	42.4
456.35724	2.0
473.36191	100.0
474.36603	5.7
587.39233	0.6
605.40747	0.9
1015.01575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	4.8
69.07050	1.5
71.01343	1.0
71.04975	20.2
71.79166	0.2
72.05302	0.2
73.02899	2.6
75.04461	1.1
77.03891	0.2
79.05470	1.7
81.03403	0.8
81.07037	3.4
83.04960	35.5
83.08592	0.7
84.05286	0.4
85.02884	100.0
86.03233	0.7
86.06070	0.2
87.04452	1.6
87.25500	0.1
91.05455	2.4
93.06454	0.1
93.07019	3.3
95.04942	1.2
95.08578	5.0
97.02867	5.2
97.06497	0.7
97.10123	0.6
97.27169	0.1
99.04432	2.9
99.08060	0.2
101.05983	0.6
103.03888	0.2
105.07001	3.2
107.04952	0.3
107.08565	5.0
109.02850	0.4
109.06508	0.6
109.09381	0.3
109.10128	4.5
110.10484	0.2
111.04416	21.0
111.08052	0.4
111.11689	0.3
112.04745	0.3
113.05978	0.3
115.03906	3.6
115.05532	0.2
115.19820	0.2
117.05474	1.5
117.06933	0.7
118.06520	0.2
119.08555	4.4
121.06483	0.4
121.10113	4.3
123.04436	0.2
123.08036	0.8
123.11666	1.9
125.05958	0.3
125.09611	0.7
126.05482	0.1
127.03886	4.2
128.06268	0.2
129.05449	19.2
130.05774	0.2
131.08549	1.5
133.04953	0.5
133.06464	0.3
133.10109	3.5
135.08047	0.7
135.11661	3.3
137.05954	0.5
137.09612	1.4
137.13177	0.9
139.03830	0.8
139.11211	0.2
142.07782	0.2
143.08534	1.0
144.07993	0.1
144.09273	0.2
145.04909	1.3
145.06499	0.3
145.10095	2.6
146.06017	0.6
147.06499	2.9
147.08020	0.5
147.11655	2.5
148.11972	0.2
149.09586	1.0
149.13245	1.4
151.07562	0.3
151.11119	0.2
151.14793	0.2
153.05432	0.6
153.12709	0.2
155.08524	0.3
156.09293	0.2
157.04970	0.4
157.10077	1.3
159.08040	0.4
159.11649	2.3
161.05925	0.2
161.09608	0.6
161.13228	1.6
163.06001	0.7
163.07472	0.2
163.11139	0.4
163.14784	1.2
165.07840	0.1
165.09109	0.4
165.12830	0.2
169.04984	0.1
169.10136	0.6
171.06485	57.3
171.11507	1.1
172.06859	0.8
173.09666	0.2
173.13229	1.7
175.10974	0.3
175.14758	1.2
177.05392	0.1
177.09114	0.3
177.12714	0.2
177.16345	0.9
179.07129	0.2
179.10684	0.4
179.14310	0.3
181.10100	0.2
183.11652	0.8
185.09648	0.2
185.13148	1.1
187.11218	0.3
187.14777	1.6
188.07024	1.1
189.09126	0.1
189.12711	0.4
189.16380	1.7
191.10602	0.3
191.17888	1.8
193.10266	0.1
193.12224	0.2
195.11745	0.3
197.13191	0.8
199.05943	0.3
199.11145	1.0
199.14760	0.9
201.12704	0.5
201.16307	1.3
203.14296	0.4
203.17902	1.2
205.12178	0.2
205.15744	0.3
207.06532	0.3
207.11772	0.3
207.13673	0.2
207.17406	0.4
209.13203	0.3
211.11214	0.2
211.14796	0.5
213.12772	0.5
213.16315	0.7
215.14288	0.4
215.17924	0.4
217.12288	0.2
217.15955	0.2
217.19412	0.4
219.13837	0.4
223.14734	0.3
225.07524	1.6
225.12854	0.2
225.16335	0.3
227.14279	0.4
227.17937	0.4
229.15871	0.3
229.19511	0.5
231.08582	4.3
231.13750	0.4
233.15428	0.5
235.14784	0.2
235.16910	0.4
237.16426	0.3
239.17902	0.5
241.15701	0.2
241.19513	0.4
243.08603	1.2
243.13771	0.3
243.21008	0.3
245.15387	0.4
247.16939	0.4
251.18069	0.2
253.19420	0.3
255.17383	0.2
255.21130	0.4
257.19006	0.2
259.16885	0.2
261.09705	0.9
267.20929	0.3
269.22687	0.2
271.20407	0.2
273.18466	0.4
277.19473	0.2
279.10709	0.8
279.21173	0.2
283.16956	0.2
283.20502	0.2
287.20154	0.2
293.18857	0.2
293.22421	0.2
295.20703	0.1
299.20071	0.4
301.21481	0.2
303.23105	0.2
313.21558	0.7
315.23117	0.7
327.23090	0.2
329.24832	0.3
337.25336	0.2
351.26801	0.3
355.26083	0.3
359.27072	0.1
365.32205	0.3
369.27985	1.0
381.27780	0.2
383.29343	0.3
387.29169	0.2
389.31906	0.4
393.31570	0.4
397.34897	0.2
399.29324	0.3
405.31363	0.7
407.33014	0.8
417.31369	1.0
423.32349	0.6
425.34052	3.9
426.34341	0.2
435.32486	3.7
436.32953	0.2
443.34976	0.9
453.33560	5.9
454.34067	0.4
471.34601	5.1
472.35248	0.4
489.35703	0.4
553.38629	0.2
585.37524	0.9
603.38800	2.7
604.38995	0.2
621.39911	0.3
622.39734	0.2
623.38007	0.3
651.37213	0.4
677.38794	8.1
678.38800	0.7
693.46295	0.2
701.41644	0.2
703.43207	0.2
713.42596	0.3
719.42798	0.2
721.44727	0.3
731.43463	45.6
732.43768	3.9
749.44507	8.7
750.44623	0.6
997.51257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	20.2
69.07057	7.8
71.01338	1.4
71.04976	4.0
71.79282	0.3
73.02906	12.0
74.09707	0.4
75.04449	0.3
77.03918	0.4
79.05484	4.9
80.77553	0.3
81.03409	6.5
81.07041	15.8
81.07526	0.8
83.01327	0.7
83.04967	16.4
83.08617	2.2
85.02889	100.0
85.06532	0.5
86.03223	0.9
87.00813	0.4
87.04459	3.7
91.03934	3.0
91.05453	6.0
93.07028	11.4
95.04964	1.6
95.08588	19.2
96.08878	0.3
97.02876	33.5
97.06519	1.1
97.10162	1.4
99.04435	4.4
101.02349	0.5
103.03950	0.8
103.05442	0.6
105.07014	9.9
107.04913	0.7
107.08571	14.5
109.02865	6.9
109.06506	0.7
109.10137	26.8
110.10600	0.4
111.04426	9.2
111.08087	0.7
111.11699	1.1
115.03906	9.8
117.06992	1.6
119.08563	12.3
119.56452	0.3
121.06524	0.6
121.10120	15.5
123.04441	0.4
123.08076	1.1
123.11683	22.2
124.12023	0.3
125.06042	0.5
125.09612	0.5
127.03895	18.5
128.06223	0.6
129.05457	5.7
129.06926	1.5
131.08549	5.1
131.09439	0.5
133.04936	9.8
133.05884	0.6
133.10106	11.1
135.08072	1.7
135.11673	12.9
137.05931	0.3
137.09589	1.1
137.13226	6.9
139.07541	0.9
139.11186	0.7
141.07072	0.4
142.07724	0.5
143.08539	3.3
144.09340	0.4
145.04938	22.2
145.08945	0.4
145.10098	7.8
145.11194	0.5
147.08031	0.9
147.11664	7.2
149.05923	0.4
149.09630	0.9
149.13225	6.0
151.07489	0.8
151.11168	0.5
151.14790	1.5
153.05496	0.5
153.09081	0.9
153.12720	0.5
155.08501	0.6
157.10100	4.5
159.08063	0.9
159.11662	7.4
161.09605	1.0
161.13229	5.8
163.06015	2.5
163.07524	2.6
163.11150	0.7
163.14792	4.6
165.09116	1.3
165.12730	0.4
165.16458	0.4
167.10718	0.4
169.10107	1.3
171.06502	24.8
171.11632	3.9
172.06973	0.4
173.09579	0.8
173.13217	6.1
175.11237	0.5
175.14796	4.5
177.09088	2.1
177.16393	2.7
179.10699	1.0
179.14287	0.9
181.10138	0.3
183.11655	1.6
184.12372	0.3
185.13210	4.3
187.11172	0.5
187.14786	8.3
188.15218	0.4
189.09158	1.5
189.12747	0.5
189.16362	5.9
191.10597	2.5
191.17889	6.5
193.12209	0.8
193.19568	1.4
195.11719	0.6
197.13287	1.3
199.06020	0.6
199.11275	0.4
199.14812	3.1
201.12802	0.8
201.16362	5.3
203.10681	1.0
203.14352	0.5
203.17917	5.1
203.19611	0.5
205.12219	1.3
205.15794	0.5
205.19550	1.7
207.13795	0.7
207.17445	0.9
209.13232	0.4
211.14819	1.2
213.16304	2.4
215.14371	0.9
215.17897	2.0
217.12292	0.7
217.15952	0.4
217.19473	2.0
219.11903	0.4
219.13867	1.2
219.21153	0.8
221.15430	0.8
221.18930	0.4
223.06107	1.4
223.14856	0.6
225.16393	0.7
225.39795	0.3
227.14337	0.8
227.17938	1.4
229.12213	0.5
229.15965	0.7
229.19568	1.0
231.08640	2.8
231.13747	3.1
233.15302	1.9
235.16959	0.7
237.16432	0.4
239.17934	0.8
241.07077	1.4
241.19440	2.2
243.13837	0.5
243.21130	1.2
245.15305	3.4
247.16911	6.6
249.06235	0.3
253.19604	1.2
255.21085	1.4
257.19055	0.4
257.22583	0.8
259.07956	1.7
259.16891	1.5
261.18521	0.7
267.21100	1.1
269.22604	0.8
271.16827	0.7
273.18469	1.1
275.20190	0.5
281.22498	0.5
285.18451	1.3
285.21719	0.4
287.19989	0.7
295.20587	0.6
297.21909	0.4
299.20108	1.5
301.21408	1.5
303.23132	0.5
307.24133	0.4
309.22458	0.5
309.25827	1.4
313.21637	1.8
315.23203	4.2
323.27362	0.8
327.23392	0.8
327.26791	0.6
333.25494	0.5
339.26782	0.4
341.24606	0.7
351.26889	1.4
355.26355	0.7
367.26303	0.6
369.27847	14.9
377.32101	3.2
381.27783	1.6
383.29752	0.4
387.28854	2.0
390.89474	0.3
391.33591	1.1
395.33231	2.0
401.31497	0.4
409.34631	1.7
419.32974	2.9
435.32852	0.5
437.34097	28.5
438.34579	1.2
453.33755	1.7
455.35144	14.8
456.35483	0.7
471.34796	1.4
515.35358	0.6
527.36536	0.4
533.36047	1.3
551.37164	0.9
569.38239	0.4
587.39130	1.0
689.42236	0.6
719.43323	0.7
731.43842	0.8
749.44501	12.0
750.44495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	10.4
69.07054	9.6
71.01335	1.6
71.04978	36.4
73.02906	7.0
75.04466	2.1
77.03919	0.7
79.05473	8.6
81.03407	1.4
81.07040	24.4
83.04962	29.2
83.08611	4.1
85.02887	100.0
85.06526	1.1
86.03233	0.5
87.04449	2.0
89.33367	0.4
91.05460	9.3
93.07024	18.5
95.04943	5.3
95.08587	21.2
97.02872	12.6
97.06509	1.7
97.10155	1.8
98.21423	1.6
99.04434	7.7
101.06012	0.7
103.05458	0.6
105.07009	19.3
107.04926	1.2
107.08572	22.5
109.02855	1.1
109.06516	2.6
109.07192	0.4
109.10133	32.1
111.04420	29.9
111.08044	2.7
111.11700	1.0
113.05978	0.6
115.03906	6.3
115.05400	0.6
117.05479	1.3
117.06966	3.7
119.08557	22.2
120.08911	0.5
121.06505	1.8
121.09244	0.8
121.10121	20.7
123.04409	1.3
123.08078	2.3
123.11682	29.9
125.05968	1.0
125.09605	0.6
127.03897	4.0
128.06187	0.9
129.05460	22.7
129.06868	2.3
130.07779	0.8
131.08542	8.9
133.04950	0.6
133.06520	0.5
133.10103	18.0
135.08000	3.5
135.11667	9.6
137.05934	0.6
137.09581	1.4
137.13239	2.2
139.03920	1.1
139.07526	1.6
139.11150	0.8
140.07996	0.4
141.07010	0.6
142.07782	0.9
143.08551	5.1
144.09331	1.0
145.04926	1.7
145.08949	0.8
145.10101	15.2
147.06520	5.4
147.07875	0.8
147.11658	12.2
149.06035	0.5
149.09637	1.9
149.13235	9.4
151.03993	0.5
151.07539	0.9
151.11189	1.7
151.14815	1.0
153.05464	1.7
153.09109	1.6
155.08551	1.7
156.09302	0.7
157.04926	1.2
157.10094	8.7
158.10890	0.8
159.08017	1.2
159.11658	14.7
159.12915	0.8
160.12109	0.6
161.09633	1.8
161.13228	15.8
163.06123	1.0
163.07547	2.0
163.11160	1.9
163.14790	3.9
165.07797	0.4
165.09067	2.1
165.16464	0.4
167.10675	0.7
169.10091	3.0
171.06499	26.5
171.11659	6.0
172.12457	0.5
173.09576	2.5
173.13231	12.0
175.11211	1.4
175.14792	6.4
177.09109	3.2
177.12697	1.7
177.16336	4.3
179.10692	1.9
179.14282	0.9
181.10095	0.9
183.11650	3.2
185.13226	6.8
187.11177	1.2
187.14787	10.7
189.09102	1.3
189.12753	1.0
189.16313	7.1
191.10652	3.3
191.14302	0.9
191.17903	3.2
193.10242	0.5
193.12259	0.7
195.11688	1.7
195.13698	1.0
196.12439	0.5
197.13235	3.1
199.11082	0.9
199.14783	5.6
201.12714	1.7
201.16336	8.1
203.10625	1.2
203.14241	2.1
203.17883	2.5
205.12263	1.2
205.15889	2.8
207.11864	0.6
207.13724	0.9
207.17464	2.8
209.13280	1.7
211.14778	2.3
213.07581	0.5
213.12836	0.6
213.16333	4.2
215.10873	0.6
215.14381	1.5
215.17950	3.1
217.12328	1.3
217.15878	0.8
217.19537	0.8
219.13834	2.0
219.17413	1.4
221.13350	0.8
221.15346	0.9
223.14847	1.4
225.07489	2.9
225.16327	1.9
227.14314	1.0
227.17892	2.1
229.12225	0.9
229.15852	0.9
229.19510	0.7
231.08598	6.3
231.13713	3.0
231.17393	1.2
233.15399	1.4
235.16910	0.9
237.16429	1.4
239.14319	1.0
239.17975	1.9
241.12119	0.6
241.15767	0.8
241.19554	1.8
243.08487	2.4
243.13853	0.7
243.17374	0.5
243.20998	0.6
245.15384	4.7
245.17708	0.5
245.18901	0.6
247.16881	12.0
249.16331	0.7
251.17999	1.4
253.19505	2.0
255.17340	0.5
255.21049	1.0
257.15247	1.1
257.19022	0.7
259.17062	1.3
259.20483	0.7
261.09750	1.1
261.18524	0.8
265.19449	0.7
267.21017	1.6
269.19077	0.6
269.22397	0.5
271.16919	1.8
271.20496	0.6
273.18353	3.3
274.27332	4.7
275.27786	1.4
277.19293	0.6
279.10764	1.4
279.21054	0.6
281.22717	0.9
283.16992	0.5
285.18533	0.7
295.20688	0.7
295.24017	0.7
297.18478	0.9
299.20099	1.9
299.23209	0.5
301.21490	2.3
305.22614	0.6
307.24133	1.0
309.22296	0.9
309.25867	0.5
311.20129	1.2
313.21579	2.8
315.23083	0.7
321.25644	0.8
325.21573	0.9
327.23138	3.7
329.21051	1.3
331.22739	1.3
335.23810	0.5
335.27405	1.6
337.25397	0.7
339.23276	1.1
341.24844	0.9
349.25043	0.6
353.24698	1.2
355.26266	0.8
367.26202	6.9
367.30374	0.6
371.25735	0.5
375.30548	1.5
379.26425	1.4
385.27371	2.7
387.30334	0.6
393.31656	2.1
395.29333	9.3
403.28629	1.1
405.31509	1.1
405.43875	0.5
407.28088	0.9
407.33090	1.5
411.32455	4.0
415.28339	0.5
417.31610	2.3
423.32483	7.2
425.34161	1.9
435.32538	17.9
436.32999	0.9
437.34106	1.0
451.32120	0.9
453.27499	0.9
453.33591	12.5
454.34106	0.7
457.29614	0.8
469.33160	1.5
471.34631	40.5
472.35236	1.5
477.33521	0.5
481.33142	0.6
483.34747	1.8
495.34766	0.8
505.33426	0.7
523.34210	1.7
531.34326	0.7
533.36200	0.5
545.36243	3.2
549.35699	0.7
563.37134	9.0
567.36823	0.9
581.38318	7.0
582.38599	0.6
603.38818	2.8
749.44690	3.1
901.87128	0.5
914.64264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.6
69.07058	1.0
71.01346	0.4
71.04992	0.4
71.79893	0.3
73.02905	2.9
79.05482	1.8
81.03406	1.3
81.07037	2.9
83.04965	0.2
83.08632	0.4
85.02885	4.9
87.04478	0.4
91.03939	2.4
91.05474	1.6
93.07024	2.3
95.04965	0.4
95.08591	2.1
97.02872	4.3
97.03445	0.3
97.06520	0.3
99.04460	0.6
101.02360	1.0
103.45093	0.2
105.07007	0.9
107.04941	0.2
107.08565	1.2
109.02866	0.7
109.10149	0.8
115.03929	0.4
119.08546	1.1
121.10153	0.8
127.03876	1.5
129.05455	0.2
131.08548	0.5
133.10141	0.5
135.10692	0.2
135.11710	0.6
145.04948	0.4
145.10106	0.6
147.11716	0.2
149.09630	0.2
149.13229	0.2
159.11700	0.4
161.13287	0.3
171.68069	0.2
185.04112	0.8
201.03619	0.2
203.05304	0.7
243.08357	1.8
259.07788	0.3
305.08603	0.2
333.20322	1.8
335.25928	0.5
347.09369	2.4
363.09161	0.6
365.10510	1.0
389.22964	0.3
404.65213	0.2
405.13620	5.9
439.19629	0.5
453.21008	0.9
519.29242	5.8
519.36823	0.4
551.28253	2.6
615.26447	0.2
681.34442	6.1
682.34338	0.4
713.33643	2.2
764.12866	0.2
829.50861	1.3
888.55328	0.2
893.48761	1.4
991.55835	100.0
992.56342	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	991.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.5
69.07053	1.3
71.01357	0.6
71.04984	0.4
71.80752	0.3
71.81150	0.3
73.02901	2.6
78.97018	0.2
79.05484	1.9
81.03404	1.0
81.07038	2.3
83.04964	0.2
83.08630	0.6
85.02890	3.9
88.10700	0.3
91.03946	2.1
91.05468	1.2
93.07027	1.9
95.04955	0.3
95.08587	1.6
97.02875	4.1
97.03462	0.3
97.10157	0.6
99.04464	0.6
100.65364	0.2
101.02380	1.0
101.92281	0.3
102.87060	0.2
105.06994	1.2
106.40930	0.2
107.07040	0.2
107.08565	1.3
109.02891	0.5
109.10152	0.6
111.08075	0.3
117.07032	0.3
119.08585	0.6
121.10167	0.9
123.11794	0.2
127.03896	1.5
127.28353	0.2
131.08566	0.5
132.48595	0.2
133.10170	0.6
135.11646	0.4
143.46742	0.2
145.10146	0.3
147.11758	0.6
185.04294	1.0
201.03734	0.4
203.05334	0.8
243.08354	1.5
245.03850	0.2
258.75558	0.2
259.08020	0.4
295.92273	0.2
305.08682	0.3
333.16815	0.3
333.20242	1.2
335.25922	0.5
347.09445	2.3
363.09222	0.8
365.10669	0.7
405.13568	5.1
453.21326	0.3
519.29211	4.9
551.28204	2.3
605.54474	0.2
629.19476	0.2
681.34503	5.9
682.34778	0.3
697.34686	0.3
713.33240	1.6
753.35791	0.4
829.50385	0.4
893.48572	0.4
991.55853	100.0
992.56104	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	991.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.7
69.07056	2.5
70.06556	0.3
70.38142	0.1
70.71806	0.2
70.72199	0.3
71.04659	0.2
71.04987	1.7
71.08589	0.1
73.06535	0.2
77.03913	0.2
78.04700	0.1
79.05470	2.1
81.03403	1.3
81.07038	6.6
83.04945	0.4
83.08602	1.3
85.02887	0.6
85.06510	0.6
87.08073	0.1
89.03889	1.7
91.05456	2.5
93.07023	6.7
94.07339	0.1
94.18995	0.1
94.30415	0.1
95.04943	0.9
95.08585	9.4
96.08904	0.1
97.02863	0.4
97.06533	0.9
97.10155	1.0
99.04468	0.2
99.08089	0.8
103.05461	0.2
104.77956	0.1
105.07009	5.3
107.04916	0.1
107.08568	11.0
107.66358	0.1
108.08956	0.1
109.02849	0.6
109.06504	0.7
109.10132	9.8
110.10443	0.2
111.08064	1.1
111.11697	0.3
113.09614	0.3
117.03353	6.0
117.06976	0.6
119.04918	0.1
119.08556	7.7
120.08859	0.1
121.06487	0.6
121.10117	9.3
123.08038	0.5
123.11674	6.7
125.09608	2.2
127.03885	0.3
127.07513	0.3
127.11166	1.9
128.06139	0.2
129.06989	0.4
131.08545	1.9
133.10100	8.1
134.03595	0.5
134.10417	0.1
135.04372	0.6
135.08060	1.1
135.11665	8.7
136.12010	0.2
137.05972	0.1
137.09625	0.7
137.13213	1.5
139.07538	0.2
139.11143	0.6
141.06989	0.1
141.12679	0.7
143.08551	1.1
143.10643	3.1
144.09317	0.2
145.02815	19.0
145.10092	3.7
146.03114	0.3
147.04385	0.2
147.07999	0.4
147.11653	5.6
149.05940	2.6
149.09558	1.1
149.13228	3.0
151.07545	0.2
151.11163	0.6
151.14789	0.2
153.09079	0.2
153.12694	0.7
155.08507	0.3
156.09361	0.1
157.10123	1.6
158.10822	0.1
159.08044	0.2
159.11659	3.9
161.09598	1.0
161.13225	4.0
163.03845	0.2
163.07491	0.3
163.11145	0.5
163.14775	2.5
165.09045	0.3
165.12727	0.4
167.14249	0.3
169.10091	0.8
170.10854	0.1
171.11674	1.8
173.09581	0.5
173.13231	3.4
175.11156	0.6
175.14774	2.3
177.05432	38.2
177.12743	0.4
177.16354	1.2
178.05846	0.5
179.10620	0.5
179.14288	0.8
181.10078	0.1
181.12126	0.1
183.11699	0.7
185.09644	0.2
185.13191	1.7
186.05511	0.7
187.11139	0.3
187.14774	2.8
189.12740	0.5
189.16353	2.4
191.10640	0.3
191.14287	0.4
191.17899	1.5
193.12273	0.3
193.15869	0.2
195.06529	0.6
195.11690	0.2
196.12383	0.1
197.13225	0.8
199.11031	0.2
199.14778	1.7
201.12697	0.4
201.16336	2.0
203.14235	0.4
203.17912	2.7
205.12201	0.4
205.15852	0.4
207.13782	0.2
207.17523	0.2
208.12355	0.1
209.13191	0.4
211.14746	0.9
213.16357	1.0
215.14346	0.6
215.17836	1.1
217.15894	0.4
217.19423	1.1
219.13733	0.3
219.17422	0.5
221.13332	0.2
221.15300	0.2
221.18915	0.2
223.14758	0.4
225.16371	0.4
227.14310	0.2
227.17897	0.7
229.15854	0.4
229.19466	0.6
231.13699	0.2
231.17355	0.4
233.15317	0.6
233.18929	0.2
235.14822	0.2
235.16942	0.3
237.16499	0.2
239.17931	0.3
241.15781	0.3
241.19463	0.7
243.17329	0.3
243.21078	0.2
245.15356	0.3
245.19014	0.2
247.16890	1.0
247.20634	0.2
249.18555	0.2
253.19421	0.4
255.17316	0.2
255.21089	0.8
257.19006	0.3
257.22559	0.2
259.16977	0.2
259.20541	0.7
261.18500	0.3
261.22086	0.3
267.21017	0.3
269.22583	0.4
271.20544	0.4
273.18707	0.2
273.22122	0.6
275.20053	0.3
279.20944	0.2
283.20526	0.3
285.22141	0.5
287.20316	0.2
287.23489	0.3
289.21530	0.2
295.20596	0.2
295.23843	0.1
297.22049	0.4
299.23581	0.3
301.21524	0.6
301.24960	0.2
303.23123	0.4
309.25586	0.2
311.23557	0.2
313.21732	0.2
313.25153	0.2
315.23178	1.1
321.09625	1.2
323.23801	0.1
323.27530	0.2
325.25223	0.2
327.23196	0.1
327.26721	0.1
329.24707	0.2
333.25418	0.2
337.25061	0.1
339.10660	4.0
339.26791	0.2
341.24426	0.2
353.24402	0.1
353.28430	0.1
367.29980	0.2
369.27765	0.4
387.28882	0.2
391.33401	0.1
393.31393	0.2
395.33002	1.1
399.29025	0.1
409.34668	0.8
413.34262	0.3
419.33005	1.1
425.34308	0.3
437.34094	3.7
438.34375	0.1
455.35120	12.4
456.35312	0.4
473.36157	100.0
474.36557	3.2
491.37244	9.9
491.43198	0.2
492.37567	0.3
653.42737	0.6
742.81049	0.1
782.23120	0.1
1003.85547	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	991.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.7
69.07056	2.5
70.06556	0.3
70.38142	0.1
70.71806	0.2
70.72199	0.3
71.04659	0.2
71.04987	1.7
71.08589	0.1
73.06535	0.2
77.03913	0.2
78.04700	0.1
79.05470	2.1
81.03403	1.3
81.07038	6.6
83.04945	0.4
83.08602	1.3
85.02887	0.6
85.06510	0.6
87.08073	0.1
89.03889	1.7
91.05456	2.5
93.07023	6.7
94.07339	0.1
94.18995	0.1
94.30415	0.1
95.04943	0.9
95.08585	9.4
96.08904	0.1
97.02863	0.4
97.06533	0.9
97.10155	1.0
99.04468	0.2
99.08089	0.8
103.05461	0.2
104.77956	0.1
105.07009	5.3
107.04916	0.1
107.08568	11.0
107.66358	0.1
108.08956	0.1
109.02849	0.6
109.06504	0.7
109.10132	9.8
110.10443	0.2
111.08064	1.1
111.11697	0.3
113.09614	0.3
117.03353	6.0
117.06976	0.6
119.04918	0.1
119.08556	7.7
120.08859	0.1
121.06487	0.6
121.10117	9.3
123.08038	0.5
123.11674	6.7
125.09608	2.2
127.03885	0.3
127.07513	0.3
127.11166	1.9
128.06139	0.2
129.06989	0.4
131.08545	1.9
133.10100	8.1
134.03595	0.5
134.10417	0.1
135.04372	0.6
135.08060	1.1
135.11665	8.7
136.12010	0.2
137.05972	0.1
137.09625	0.7
137.13213	1.5
139.07538	0.2
139.11143	0.6
141.06989	0.1
141.12679	0.7
143.08551	1.1
143.10643	3.1
144.09317	0.2
145.02815	19.0
145.10092	3.7
146.03114	0.3
147.04385	0.2
147.07999	0.4
147.11653	5.6
149.05940	2.6
149.09558	1.1
149.13228	3.0
151.07545	0.2
151.11163	0.6
151.14789	0.2
153.09079	0.2
153.12694	0.7
155.08507	0.3
156.09361	0.1
157.10123	1.6
158.10822	0.1
159.08044	0.2
159.11659	3.9
161.09598	1.0
161.13225	4.0
163.03845	0.2
163.07491	0.3
163.11145	0.5
163.14775	2.5
165.09045	0.3
165.12727	0.4
167.14249	0.3
169.10091	0.8
170.10854	0.1
171.11674	1.8
173.09581	0.5
173.13231	3.4
175.11156	0.6
175.14774	2.3
177.05432	38.2
177.12743	0.4
177.16354	1.2
178.05846	0.5
179.10620	0.5
179.14288	0.8
181.10078	0.1
181.12126	0.1
183.11699	0.7
185.09644	0.2
185.13191	1.7
186.05511	0.7
187.11139	0.3
187.14774	2.8
189.12740	0.5
189.16353	2.4
191.10640	0.3
191.14287	0.4
191.17899	1.5
193.12273	0.3
193.15869	0.2
195.06529	0.6
195.11690	0.2
196.12383	0.1
197.13225	0.8
199.11031	0.2
199.14778	1.7
201.12697	0.4
201.16336	2.0
203.14235	0.4
203.17912	2.7
205.12201	0.4
205.15852	0.4
207.13782	0.2
207.17523	0.2
208.12355	0.1
209.13191	0.4
211.14746	0.9
213.16357	1.0
215.14346	0.6
215.17836	1.1
217.15894	0.4
217.19423	1.1
219.13733	0.3
219.17422	0.5
221.13332	0.2
221.15300	0.2
221.18915	0.2
223.14758	0.4
225.16371	0.4
227.14310	0.2
227.17897	0.7
229.15854	0.4
229.19466	0.6
231.13699	0.2
231.17355	0.4
233.15317	0.6
233.18929	0.2
235.14822	0.2
235.16942	0.3
237.16499	0.2
239.17931	0.3
241.15781	0.3
241.19463	0.7
243.17329	0.3
243.21078	0.2
245.15356	0.3
245.19014	0.2
247.16890	1.0
247.20634	0.2
249.18555	0.2
253.19421	0.4
255.17316	0.2
255.21089	0.8
257.19006	0.3
257.22559	0.2
259.16977	0.2
259.20541	0.7
261.18500	0.3
261.22086	0.3
267.21017	0.3
269.22583	0.4
271.20544	0.4
273.18707	0.2
273.22122	0.6
275.20053	0.3
279.20944	0.2
283.20526	0.3
285.22141	0.5
287.20316	0.2
287.23489	0.3
289.21530	0.2
295.20596	0.2
295.23843	0.1
297.22049	0.4
299.23581	0.3
301.21524	0.6
301.24960	0.2
303.23123	0.4
309.25586	0.2
311.23557	0.2
313.21732	0.2
313.25153	0.2
315.23178	1.1
321.09625	1.2
323.23801	0.1
323.27530	0.2
325.25223	0.2
327.23196	0.1
327.26721	0.1
329.24707	0.2
333.25418	0.2
337.25061	0.1
339.10660	4.0
339.26791	0.2
341.24426	0.2
353.24402	0.1
353.28430	0.1
367.29980	0.2
369.27765	0.4
387.28882	0.2
391.33401	0.1
393.31393	0.2
395.33002	1.1
399.29025	0.1
409.34668	0.8
413.34262	0.3
419.33005	1.1
425.34308	0.3
437.34094	3.7
438.34375	0.1
455.35120	12.4
456.35312	0.4
473.36157	100.0
474.36557	3.2
491.37244	9.9
491.43198	0.2
492.37567	0.3
653.42737	0.6
742.81049	0.1
782.23120	0.1
1003.85547	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	991.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	3.4
69.07053	2.7
69.72823	1.1
69.73222	5.0
70.06570	0.7
71.04994	0.9
72.08077	0.8
79.05482	1.0
81.03401	3.4
85.02895	3.8
91.05479	0.9
94.06536	4.3
95.04958	1.3
96.04496	0.8
97.02881	2.2
98.20515	0.7
106.06542	2.5
108.08105	10.0
109.02869	2.2
110.06049	1.3
112.03942	1.4
112.07500	0.7
120.04481	1.6
120.08096	1.8
120.38740	0.7
122.06010	10.4
123.04414	1.5
124.07587	2.9
124.33614	0.7
127.03893	1.3
132.08104	1.0
134.06015	1.1
136.07544	5.2
137.05963	1.1
138.05426	1.0
140.07045	28.1
146.06010	5.4
146.09647	1.4
147.04407	2.2
148.07547	11.7
150.09166	4.0
152.07063	3.2
162.05495	0.9
162.09154	2.9
163.03882	2.0
164.07056	9.4
166.08606	8.3
172.03925	7.5
172.07594	1.3
174.05455	8.6
176.07054	4.8
177.05513	1.5
178.08499	0.8
188.07024	0.8
190.04892	4.5
192.06548	3.5
201.10205	1.1
204.06528	12.3
204.08289	1.0
206.08153	3.3
208.09738	3.3
209.10695	1.8
210.11562	3.1
211.08742	0.8
211.12296	3.6
212.13196	1.1
216.10324	1.3
218.08203	0.8
221.10779	1.1
222.11568	2.1
223.12227	4.0
224.11037	0.8
224.13094	3.3
225.10260	2.6
225.13759	4.4
226.10875	1.3
227.11771	4.5
232.09671	0.8
235.08670	3.2
235.12338	3.1
236.09245	2.4
236.12997	0.9
237.10214	11.5
237.13834	5.1
238.10886	5.4
238.14545	1.3
239.11765	20.0
239.15410	1.0
240.12535	5.4
241.13387	3.0
243.11385	2.2
244.09464	0.7
246.07640	0.9
247.12210	1.2
248.09164	5.6
249.10182	13.6
249.13010	1.0
249.13884	1.0
250.10930	12.1
251.11760	42.0
252.12492	10.1
253.09572	1.4
253.13332	30.1
254.14084	2.5
255.11328	1.0
255.14941	2.5
261.10114	1.1
261.12546	1.5
262.10999	3.0
263.11752	43.3
264.09088	1.7
264.12546	8.0
265.09805	13.6
265.13385	56.5
266.10526	3.4
266.14124	13.0
267.11356	7.5
267.14813	6.3
268.11917	3.5
268.15488	1.6
269.12854	3.3
271.10773	0.9
271.14417	1.9
274.10846	1.9
275.11832	2.1
277.09760	14.4
277.13373	5.1
278.10440	11.2
279.11240	75.5
280.11920	9.4
281.12811	11.2
282.13608	1.4
283.10785	1.5
283.14465	2.0
285.12506	3.3
287.13791	5.5
290.10602	1.1
291.11249	20.1
292.11926	9.4
293.12787	28.1
294.10394	1.3
294.13443	5.9
295.10803	17.2
295.14362	5.5
296.11548	3.5
297.12305	17.4
297.15552	1.3
298.12860	2.1
299.13849	5.3
303.11102	1.0
305.12720	1.2
307.10751	1.2
308.11334	2.2
309.12286	39.5
310.12857	23.0
311.13840	52.4
312.14514	6.9
313.11850	3.8
313.15482	11.4
319.10709	21.8
319.14297	1.2
320.11493	3.3
321.12329	11.9
323.13919	2.7
324.14545	1.5
325.11844	1.6
325.15320	1.7
328.13968	5.8
331.12872	1.9
333.12500	0.9
335.13965	1.1
336.10889	1.6
337.11777	49.7
338.12503	17.4
338.16238	1.3
339.13342	20.3
340.13965	1.4
341.15210	1.8
344.17645	1.2
345.14514	4.8
351.13358	13.7
351.17374	1.3
352.14114	2.4
353.14880	9.3
354.11807	1.2
354.15823	1.8
355.12753	1.5
355.16611	2.2
357.14633	2.1
358.15555	1.4
369.14435	18.3
370.15121	4.1
371.15955	5.1
372.17410	1.1
374.14819	2.0
377.15237	1.0
379.12491	5.5
379.17099	1.5
380.13724	1.9
381.14365	5.0
383.15903	4.6
384.12833	1.6
384.17172	1.6
391.16617	1.3
393.14764	1.5
394.15247	1.0
395.16135	6.2
396.16757	1.0
397.18195	1.2
398.14938	3.3
399.15665	3.8
400.16257	4.9
401.13049	0.9
405.14450	1.2
411.15448	10.7
412.16281	3.0
413.17075	5.6
416.15744	1.6
417.15009	1.0
418.17810	1.2
419.16132	2.2
420.16537	0.9
421.13876	1.2
423.15536	2.1
425.17114	1.5
427.18982	1.1
430.17972	1.4
431.18210	1.9
435.15656	2.7
436.16202	1.5
437.17053	6.7
438.17731	2.1
439.14807	10.4
440.15671	4.5
441.16528	6.8
442.17404	1.3
443.18457	1.5
444.19186	1.3
445.14111	2.2
447.15628	1.0
449.19244	1.9
450.20529	0.9
452.21802	4.6
453.16483	12.7
454.17236	5.8
455.18066	25.4
456.18845	6.3
458.16943	2.1
459.17737	3.3
460.18567	2.0
463.15015	7.8
464.15784	3.7
465.16699	2.1
467.20251	3.0
471.17621	20.9
472.18326	8.7
473.19083	8.8
474.19962	1.6
475.16943	1.7
476.18246	1.0
478.20071	3.9
481.16010	40.9
482.16833	21.6
483.17365	7.8
485.20792	1.1
495.17700	1.4
496.20691	2.0
499.17044	68.1
500.17728	18.5
501.18521	8.7
510.22296	14.3
513.18750	9.0
514.19385	3.0
515.20428	3.1
518.19562	1.2
531.19629	26.1
532.20245	3.6
533.21295	6.3
552.23755	1.1
560.23517	1.1
578.24768	1.3
586.21899	1.4
596.26013	11.0
602.21252	2.2
604.22821	3.4
614.26910	9.6
615.27484	0.9
617.26306	2.4
618.24365	1.9
620.22333	2.4
622.23871	28.4
623.24182	2.1
635.27008	7.3
636.26239	2.1
638.23059	2.3
640.24902	70.7
641.25073	4.3
643.21661	1.0
654.26483	27.7
655.27246	1.8
667.29791	7.2
672.27533	100.0
673.28064	6.3
677.27881	1.2
707.26898	1.7
717.30988	1.3
722.29437	1.6
725.28040	1.8
735.33063	1.3
737.29999	1.6
743.29321	9.2
744.29138	0.8
748.27826	1.4
756.27502	0.8
758.31024	7.1
761.30237	13.1
762.30310	1.4
766.28009	1.5
769.32666	1.5
775.32202	4.7
776.31921	3.4
779.31317	28.9
780.30737	4.7
784.29102	18.5
793.32446	4.7
797.32385	13.6
798.30548	1.8
802.30164	41.9
803.30713	3.3
811.33923	15.5
812.34106	1.1
816.31622	14.7
817.32306	1.1
829.34534	12.5
830.35138	1.1
834.32806	33.8
835.32751	2.4
905.34424	3.4
923.35602	3.3
937.35815	1.3
941.36591	7.4
959.37579	1.7
973.38538	3.4
991.39825	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	991.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	2.7
69.07069	3.8
71.04245	0.8
71.04568	1.8
74.06043	1.2
79.05481	2.2
81.03400	6.2
84.08131	0.8
85.02879	2.9
89.03907	2.2
91.05443	1.7
94.06527	5.9
95.04934	2.2
97.02866	2.5
99.04436	1.3
103.05402	1.1
106.06541	4.5
107.07362	0.8
108.08099	8.6
109.02856	3.5
110.05989	1.5
111.04340	1.1
112.07560	1.3
117.03398	1.1
120.04469	1.3
120.08085	4.2
122.05998	13.5
123.04398	1.2
124.07532	1.7
127.03870	1.8
130.06403	0.9
132.08041	1.2
134.05988	1.9
135.04367	4.0
136.06169	7.2
136.07552	6.3
137.05930	2.1
138.05478	2.3
140.07031	24.7
144.04433	1.5
145.02811	3.5
146.05952	8.0
146.09639	1.1
147.04369	1.9
148.06433	1.1
148.07549	13.5
150.09108	3.4
152.07043	5.7
154.04948	0.9
154.08583	1.4
160.07536	2.1
161.05803	0.7
162.05464	1.6
162.09099	2.9
163.03877	19.1
164.07007	9.7
166.08595	8.3
167.07176	1.2
168.07993	1.0
172.03926	11.5
173.04698	1.0
174.05473	8.8
174.09085	1.7
176.07027	6.1
177.05429	1.5
178.08618	1.2
180.06447	1.0
181.05017	0.9
186.09096	1.5
188.07033	0.9
190.04987	4.1
190.08522	1.0
191.05661	0.9
192.06566	2.8
194.08099	1.0
197.10684	1.3
199.12198	1.1
200.07092	1.3
202.08557	1.9
204.06512	15.8
206.08084	6.1
208.09552	4.0
209.10706	2.5
210.11427	6.1
211.12190	4.7
212.12990	0.9
213.10207	1.3
214.08679	1.0
216.06528	0.8
216.10118	1.7
218.08150	1.6
220.09727	0.9
221.10719	2.0
222.11394	2.8
223.12312	5.5
224.12981	2.4
225.10162	3.3
225.13774	4.4
226.10965	1.1
227.11847	4.0
230.08075	0.9
232.09668	1.7
234.11339	1.0
235.08670	2.6
235.12262	5.0
236.09367	2.5
236.12988	1.8
237.10161	13.2
237.13762	5.3
238.10934	8.1
239.11708	17.2
240.12459	4.2
241.09653	1.3
241.13254	2.5
243.11237	1.8
247.12190	2.1
248.09299	6.2
249.10129	12.5
249.13786	2.4
250.10939	12.8
251.11749	39.3
252.12436	11.4
253.09642	1.7
253.13327	21.3
254.13947	2.3
255.11389	1.6
255.14816	1.2
261.10004	1.5
261.12369	2.3
262.10934	2.7
263.07654	1.0
263.08795	1.3
263.11725	40.7
264.08856	2.4
264.12451	10.4
265.09671	11.5
265.13309	44.4
266.10434	4.9
266.14032	11.3
267.11273	8.8
267.14569	4.2
268.11874	3.1
268.15668	1.7
269.12790	5.2
271.10577	1.6
271.14337	2.0
274.10559	5.8
275.11713	2.8
276.08942	1.4
276.12402	2.1
277.09695	11.8
277.13281	7.1
278.10391	11.4
278.13870	1.3
279.11215	89.8
280.11890	14.8
281.09689	0.7
281.12778	12.6
282.13361	2.1
283.10617	1.0
283.14304	3.5
284.11374	1.1
285.12292	3.5
287.05411	1.4
287.11121	1.1
287.13876	5.2
289.09677	1.4
290.10349	1.1
291.11240	19.2
291.14264	0.8
292.11862	11.2
293.12772	26.4
294.13455	6.7
295.10693	10.6
295.14297	6.5
296.11420	2.8
297.12296	22.8
297.15588	0.9
298.12964	3.6
299.13885	4.8
303.11212	1.5
305.12741	2.2
306.09900	1.5
307.10681	3.2
307.14081	1.5
308.11353	1.6
309.12268	31.2
309.15390	1.1
310.12875	22.2
311.13828	43.8
312.14481	5.5
313.11707	4.1
313.15384	7.0
317.12808	1.4
318.09607	1.1
319.10760	19.1
319.14130	1.0
320.11475	4.1
321.12283	12.6
323.13724	4.1
324.11023	1.4
324.14536	1.4
325.11792	2.5
325.15302	1.9
331.13077	2.7
335.13705	1.5
336.10754	2.7
337.11755	40.3
338.12552	9.5
339.13354	21.6
340.13986	2.4
341.14865	3.1
345.14752	4.6
349.11523	1.1
351.13162	5.3
352.14005	1.7
353.14917	5.6
354.11728	1.9
355.12680	1.2
357.14380	1.2
358.15399	1.3
369.14355	12.7
370.15265	4.2
371.15982	4.0
372.17026	1.7
377.14752	1.4
379.12433	1.9
379.16553	2.5
380.13733	1.2
381.14197	2.9
382.15265	1.5
383.15945	1.4
386.14966	1.4
388.16541	1.4
390.18286	1.0
391.16501	1.2
393.14484	1.6
394.14783	0.9
395.15955	8.9
397.17398	2.4
398.14828	2.5
399.15717	4.3
400.16669	4.6
401.13589	2.7
405.14328	2.2
407.15790	2.7
409.17593	1.2
411.15469	3.3
412.16183	1.8
413.17172	5.2
414.18179	1.3
415.18845	1.9
416.15805	1.9
417.14389	1.9
418.17319	1.3
419.15979	4.3
421.13239	1.7
422.14682	1.4
423.15329	4.8
425.16830	2.8
426.17792	1.0
430.17480	1.0
431.18011	3.6
432.18918	1.9
434.16794	1.2
435.15372	5.0
436.16116	1.3
437.17075	7.8
438.17715	2.5
439.14890	3.6
440.15405	4.1
441.16473	8.7
442.17209	2.5
445.13931	2.4
447.15579	3.0
449.18842	1.5
452.21628	2.9
453.16455	19.5
454.17288	11.8
455.18079	15.7
456.18524	2.6
457.20038	1.3
458.16473	1.9
459.17484	1.2
460.18420	2.1
462.20474	1.0
463.14859	8.4
464.15335	2.9
465.16504	6.0
467.19962	2.7
469.15610	1.8
471.17429	1.6
473.19049	1.0
476.17926	2.0
477.17758	1.1
478.19763	5.1
481.15982	61.2
482.16653	30.2
483.17508	18.6
484.17621	1.7
495.17593	1.1
496.20166	0.9
499.16855	6.3
500.17789	1.6
501.18256	2.2
510.22223	1.8
511.25034	2.1
513.18622	22.6
514.19214	4.8
515.20209	10.1
516.20319	1.1
531.19458	1.4
558.22534	1.4
560.23499	3.0
566.18054	1.0
576.22699	1.4
578.24829	4.9
579.23975	1.0
584.19818	2.2
586.21960	5.1
596.25909	18.6
597.25848	1.3
599.24609	1.9
602.21454	5.8
603.21509	1.6
604.22766	9.3
610.24744	1.2
617.25726	4.3
618.24011	3.0
620.22119	3.0
622.23834	83.8
623.24298	6.5
624.24475	1.0
634.23859	1.6
635.25970	2.5
636.25238	3.3
638.23029	5.1
639.23315	1.1
640.24762	12.8
641.24536	1.0
654.26459	75.0
655.26929	7.3
661.20117	2.0
667.29926	1.0
670.25549	1.9
672.27643	5.6
673.27216	0.9
677.28534	1.1
681.29828	0.9
683.27246	1.4
699.05988	1.0
699.29791	1.9
707.26453	3.6
717.30939	2.1
719.29443	2.3
725.28076	11.1
735.32257	4.9
743.29077	52.7
744.29346	4.6
757.29901	1.9
758.28998	1.5
761.30017	20.1
762.30042	1.4
775.31750	18.2
776.31158	7.7
777.28455	1.0
779.31128	100.0
780.31360	10.6
784.26898	1.6
793.32684	4.3
797.31921	3.0
802.27875	20.8
803.27777	2.0
811.18451	1.4
811.33759	28.9
812.33466	2.4
816.28601	1.0
834.30566	21.0
835.29926	2.1
941.31598	1.0
959.34192	2.9
991.38080	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	986.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	6.8
69.07056	26.1
69.48976	2.3
69.49397	3.0
71.04990	4.3
71.08590	0.8
73.02901	3.1
77.03912	1.1
79.05479	59.7
81.03402	9.2
81.07041	85.7
82.07371	0.5
83.04964	8.1
83.08605	14.1
85.02888	10.6
85.06534	3.8
87.04436	0.5
91.03954	4.7
91.05463	45.6
93.07027	71.6
95.04950	11.8
95.08588	54.3
97.02876	7.2
97.05927	0.9
97.06514	12.5
97.10151	7.4
98.21470	1.2
99.04442	1.9
99.08092	3.6
103.03884	0.6
103.05420	0.8
104.06234	0.6
105.04543	1.2
105.07010	36.7
107.04950	5.6
107.08571	44.9
109.02859	2.2
109.06487	5.5
109.10135	21.6
111.04467	1.1
111.08058	4.5
111.11688	0.8
113.05999	0.6
113.09623	1.2
115.05438	0.6
117.06995	17.2
119.08564	27.5
121.06484	2.5
121.10125	28.3
123.04406	0.7
123.08077	3.9
123.11688	7.1
125.05935	0.7
125.09621	5.6
127.03896	5.3
128.06198	1.3
129.05450	2.2
129.06969	5.8
130.07616	0.6
131.04913	0.5
131.08545	21.2
133.06520	1.2
133.10104	22.1
135.08009	4.3
135.11665	20.8
137.09607	2.9
137.13231	1.8
139.11127	0.9
141.06953	1.6
142.07729	0.6
143.08511	5.1
144.09285	0.6
145.05009	2.8
145.06438	1.7
145.08943	1.0
145.10095	19.0
147.08049	1.2
147.11676	13.6
149.09598	8.3
149.13223	14.6
151.11124	1.9
153.09065	0.7
155.08530	2.1
157.10123	4.7
159.08017	1.3
159.11662	17.3
161.09631	1.6
161.13228	7.0
163.05991	1.5
163.11169	5.1
163.14803	3.7
165.09062	0.7
165.12733	1.1
167.08606	0.7
167.14169	0.7
169.10115	3.1
171.11623	4.9
173.04428	3.2
173.09590	0.7
173.11824	0.8
173.13226	8.1
175.11185	1.5
175.14781	3.1
177.12682	3.5
177.16319	1.4
179.10632	0.7
179.14293	2.0
181.10196	0.6
181.12187	1.1
183.11678	2.7
185.13179	4.1
187.11220	1.2
187.14761	3.2
189.11177	2.9
189.12776	1.3
189.16325	1.2
191.14314	1.4
195.11658	1.4
195.13768	3.2
197.13126	2.5
199.11026	0.6
199.14825	1.6
201.12776	0.8
201.16438	1.4
207.13889	0.6
209.13345	0.6
211.14815	1.0
213.14708	0.6
213.16440	1.4
215.14348	1.0
215.17995	1.0
217.15804	1.1
219.13765	0.6
219.17308	1.1
227.12712	8.5
227.17955	1.0
229.14290	2.9
229.19510	1.5
233.15315	0.7
233.19002	0.5
235.16786	1.0
239.17926	2.7
241.19438	1.5
243.12224	1.0
243.21008	3.3
247.20560	2.0
255.15837	6.2
257.18973	8.0
259.20572	2.5
261.14883	0.7
261.22116	12.3
267.15948	2.4
269.17422	31.1
273.18710	0.8
275.20041	25.2
276.20322	0.6
277.21597	1.6
291.19302	0.8
293.17923	0.6
293.21002	2.7
299.23718	0.9
309.20624	2.6
315.23065	0.9
317.24670	3.1
331.22672	1.9
333.24265	3.2
335.25745	100.0
336.26108	1.1
339.18011	0.6
347.22031	0.7
349.23669	32.8
350.24039	0.8
351.25424	1.7
363.25113	0.8
367.24802	5.0
383.22131	0.8
405.26315	0.6
413.21698	2.6
431.31534	0.7
437.34097	1.4
455.35236	0.8
473.36261	1.0
487.34024	0.7
489.35779	2.5
493.27850	0.9
503.36768	0.7
505.34964	1.4
511.37643	2.2
513.39362	1.2
515.37256	18.6
517.40277	1.1
529.38812	99.6
530.39258	2.5
547.39691	2.0
555.40259	0.7
569.41925	8.2
591.43970	1.0
609.45020	48.4
610.44519	0.8
627.46039	15.4
637.40564	0.8
649.38715	1.2
651.46222	1.0
655.41718	0.6
673.42523	2.3
691.43506	1.0
693.47662	0.8
726.95679	0.6
735.47852	0.8
753.48822	1.1
771.49731	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	984.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	6.6
69.07057	25.4
70.06574	0.7
71.04978	1.6
73.02886	1.6
79.05012	1.5
79.05479	33.1
81.03394	6.2
81.07040	46.0
83.04966	3.7
83.08609	9.6
85.02888	5.3
85.06532	2.9
91.03928	2.5
91.05463	24.7
93.07028	36.3
95.04955	10.9
95.08587	28.4
97.02872	8.3
97.06509	5.6
97.10149	9.7
99.04453	0.9
99.08079	1.4
102.48379	0.8
105.04578	0.7
105.07011	17.1
106.51202	0.8
107.04935	5.1
107.08575	21.7
109.02875	1.7
109.06512	6.0
109.10141	16.6
111.04444	1.4
111.08074	2.7
115.05453	1.7
117.07000	7.2
119.04942	1.1
119.08569	15.9
120.05626	0.7
121.06485	4.0
121.10121	12.8
123.04408	0.8
123.08025	5.1
123.11705	3.8
125.05982	0.9
125.09605	6.3
127.03924	1.4
127.07533	3.9
128.06128	1.1
129.07013	4.9
131.08556	10.7
133.06499	3.0
133.10086	10.3
135.08017	3.9
135.11688	8.0
137.09621	2.4
143.08577	3.4
145.04965	1.6
145.10086	10.0
147.08035	6.4
147.11665	7.4
149.09607	1.9
149.13214	5.6
151.11174	2.0
153.09114	1.2
157.10106	4.4
159.08080	1.3
159.11658	5.3
161.09608	2.4
161.13232	4.1
163.11159	2.0
163.14830	1.8
165.09082	1.7
165.12779	0.9
169.10159	1.6
169.12242	1.1
171.11642	2.2
173.13235	3.7
175.11179	2.0
175.14780	1.5
177.12749	1.3
183.11690	0.9
185.13214	1.6
187.14812	2.1
189.11220	3.0
193.12199	1.0
195.11688	0.9
195.13667	1.1
197.36714	0.8
199.14798	1.0
211.13251	1.0
223.13245	12.7
227.12711	3.5
235.16998	2.0
243.21049	2.6
245.19044	1.5
249.14726	4.1
253.14392	3.0
255.17624	1.1
259.20618	0.9
261.22073	7.5
267.15887	1.6
273.18436	18.0
275.20163	1.1
276.45212	0.7
291.19492	92.2
292.19873	2.7
313.27252	1.0
317.24792	2.3
335.25735	69.9
336.26117	1.8
347.22235	3.5
357.84961	0.9
365.23163	70.6
366.23639	1.4
367.24582	0.8
513.35760	1.7
527.37250	2.0
529.39465	1.1
531.36749	1.3
545.38196	5.9
607.43573	5.0
625.44531	100.0
626.45087	5.0
643.45581	2.8
769.50049	0.8
787.50641	0.9
871.02368	0.8
914.92346	0.8
977.67419	1.0
984.53186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	6.4
69.07057	18.4
69.44962	2.7
70.31953	0.2
71.04984	1.6
73.02911	1.0
73.06578	0.2
73.44443	0.2
77.03920	0.6
77.79982	0.2
79.05479	28.6
80.05833	0.3
81.03407	3.2
81.07040	33.3
82.07386	0.3
83.04963	3.2
83.08605	8.2
85.02892	3.7
85.06534	1.1
91.03956	1.9
91.05463	18.9
93.07027	30.8
94.07347	0.3
95.01315	0.3
95.04950	7.3
95.08587	24.8
96.04477	0.4
96.08926	0.4
97.02873	8.7
97.06505	2.8
97.10153	9.1
99.04431	0.4
99.08071	0.9
103.05461	0.5
105.04482	0.4
105.07011	13.9
107.04939	4.4
107.08574	17.2
109.02885	0.6
109.06525	2.1
109.10136	12.2
111.04408	0.7
111.08080	2.2
111.11724	0.3
112.53417	0.3
115.05429	0.7
117.07000	6.6
119.04929	1.0
119.08563	12.2
120.05754	0.5
121.06493	2.6
121.10125	10.7
123.04381	0.5
123.08045	3.4
123.11690	2.5
125.09607	6.2
127.03905	0.8
128.06213	0.5
129.05473	0.5
129.06978	2.6
130.07790	0.7
131.04916	0.3
131.08546	8.9
132.05756	0.3
133.06470	1.9
133.10109	7.0
133.11122	0.4
134.07242	0.7
135.08046	2.3
135.11671	6.9
137.09605	2.1
137.13232	0.9
139.11157	0.5
141.06934	0.4
142.07741	0.4
143.08554	2.6
144.06679	0.3
144.09256	0.4
145.04961	0.7
145.06430	0.8
145.10094	6.2
145.11183	0.4
147.08034	4.4
147.11659	4.1
149.09598	1.6
149.13239	4.4
151.11169	0.5
153.09111	0.8
153.12741	0.3
155.08568	0.6
156.09377	0.2
157.10072	2.0
159.08044	0.6
159.10477	0.4
159.11676	3.8
161.09610	2.1
161.13242	2.4
162.10376	0.6
163.05992	0.4
163.11198	1.1
163.14813	1.4
165.09082	1.2
165.12733	0.4
167.08630	0.3
167.10387	0.2
169.10081	0.4
169.12242	0.3
171.10251	0.4
171.11644	1.3
172.08377	0.2
173.04448	0.2
173.09598	0.3
173.11774	0.5
173.13205	2.6
175.11166	1.4
175.14842	0.9
177.12770	0.9
179.10596	0.4
183.11690	0.4
185.09726	0.3
185.13220	0.8
187.11304	0.3
187.14777	1.2
189.11191	2.8
189.12741	0.6
189.16360	0.4
193.12222	1.0
195.11725	0.3
195.13828	0.6
199.14810	0.6
201.16422	0.5
203.10643	0.3
203.14302	0.4
205.12115	1.6
211.13242	0.7
213.12634	0.2
223.13255	15.0
227.12737	2.7
227.17882	0.5
231.17451	0.2
243.21002	1.6
245.13901	0.3
245.18945	1.2
246.13919	0.2
249.14816	2.0
255.17238	0.4
261.14792	0.3
261.22089	6.7
261.33087	0.2
262.15744	0.3
263.20102	0.6
267.15955	0.9
273.18451	9.0
275.20071	0.6
277.21576	0.3
279.16318	0.3
285.17068	0.6
291.19495	70.1
292.19824	1.6
299.23691	0.4
309.20532	0.7
317.24704	2.4
333.24286	0.4
335.25748	67.0
336.26111	2.0
347.22186	1.6
365.23169	41.6
366.23639	1.2
377.46353	0.3
381.31757	0.3
435.23413	0.3
505.35330	0.6
513.35370	0.3
527.36853	1.3
531.36755	0.4
545.38440	4.6
551.40869	0.6
557.38513	0.5
567.40558	0.4
607.43500	2.8
625.44531	100.0
626.44836	4.9
643.45288	1.0
649.38922	0.3
689.42395	0.9
769.48889	0.5
787.49133	0.4
924.13623	0.3
935.82739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.6
69.07059	20.7
69.07407	0.8
70.03677	2.1
71.04987	1.8
73.02866	1.0
75.19364	0.3
77.03905	0.3
79.05480	29.2
80.05787	0.3
81.03409	4.6
81.07043	36.9
83.04967	3.4
83.08604	8.6
85.02897	4.4
85.06487	1.2
87.04411	0.5
91.03951	1.6
91.05467	19.5
93.07028	29.5
95.01312	0.5
95.04398	0.6
95.04950	7.9
95.08593	26.7
97.02876	11.1
97.06500	2.7
97.10153	11.1
98.20963	0.6
99.04419	0.6
99.08044	0.5
103.05408	0.8
105.03365	0.4
105.04497	0.6
105.07015	15.0
107.04938	5.8
107.08577	20.1
107.66647	0.3
109.02832	0.8
109.06515	2.6
109.10139	13.0
111.04349	0.5
111.08059	2.6
115.05399	1.0
116.06189	0.4
117.07001	7.1
119.04861	1.2
119.08557	13.4
120.05734	0.7
121.06504	3.1
121.10121	11.1
123.04395	0.7
123.08036	3.5
123.11703	2.8
125.09607	8.1
127.03855	1.1
128.06181	0.8
129.05412	0.6
129.06992	3.6
130.07764	0.7
131.08543	10.2
133.06477	3.2
133.09189	0.5
133.10107	6.8
134.07260	0.7
135.08046	3.6
135.11671	7.0
137.09605	2.8
137.13202	0.8
137.50627	0.3
139.11079	0.5
141.06902	0.5
142.07726	0.4
143.08549	3.1
143.10603	0.3
145.04892	0.9
145.06407	0.7
145.10100	6.9
147.08020	4.9
147.11659	4.6
149.09589	2.0
149.13220	4.1
151.11145	0.6
153.09038	0.6
153.12704	0.4
155.08501	0.7
157.10110	3.2
159.07977	0.6
159.11678	4.7
161.09592	2.6
161.13260	2.7
162.10330	1.0
163.06003	0.7
163.11186	1.6
163.14760	1.0
165.09073	1.5
165.12755	0.4
169.10100	0.4
169.12227	0.6
171.10277	0.5
171.11586	1.5
171.75406	0.3
173.09537	0.6
173.11797	0.7
173.13220	2.6
175.11176	2.1
175.14799	1.0
177.12685	1.3
177.16321	0.7
181.10187	0.3
181.12228	0.4
183.11610	0.5
185.09554	0.5
185.13213	0.7
187.11095	0.5
187.14738	1.0
189.11174	3.8
189.12752	0.4
193.12218	1.1
195.11649	0.4
195.13728	1.0
201.16293	0.6
205.12239	1.8
211.13213	1.2
215.17918	0.4
223.13251	19.6
224.13576	0.4
227.12704	4.5
227.17778	0.5
231.13727	0.5
231.17317	0.5
235.13158	0.4
243.21010	3.2
245.18893	1.1
249.14819	2.9
255.17442	0.7
259.20438	0.5
261.14825	0.4
261.22113	9.5
263.16470	0.4
263.20059	0.7
264.79904	0.3
267.15869	1.1
273.18445	13.3
275.20117	0.6
291.19498	100.0
292.19772	2.5
301.25281	0.3
307.18570	0.3
309.20578	0.9
317.24710	3.5
329.20670	0.3
333.24228	0.5
335.25760	69.6
336.22641	0.3
336.26135	2.1
347.22147	2.4
349.23618	0.5
365.23178	76.6
366.23514	1.4
429.21066	0.7
513.35907	0.6
515.39026	0.4
517.34528	0.3
527.29541	0.5
527.37115	1.7
531.36859	0.6
533.40735	0.5
537.19031	0.3
543.36816	0.5
545.38293	6.1
551.41016	1.5
557.37952	0.6
567.40247	0.4
607.43542	3.2
625.44537	96.0
626.44727	4.4
643.45276	1.5
649.39496	0.5
689.41748	0.5
763.02423	0.3
787.50055	0.8
985.56616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	13.6
69.07051	6.4
69.07416	0.4
71.01339	1.9
71.04976	57.1
71.08629	0.2
71.80655	0.2
72.05299	0.4
73.02898	7.5
73.81112	0.2
74.63996	0.3
75.04465	2.6
79.05029	0.2
79.05471	4.0
79.24694	0.2
81.03397	1.6
81.07040	10.5
83.04962	41.7
83.08598	2.1
84.05318	0.5
85.02886	100.0
85.06527	0.5
86.03220	0.5
86.06023	0.4
87.04449	2.6
91.05453	3.4
91.52605	0.2
93.07025	7.0
93.96662	0.2
95.04948	2.2
95.08585	12.1
97.02871	14.5
97.06496	1.0
97.10134	1.0
98.21429	0.5
99.04437	9.2
101.05988	0.7
103.03925	0.7
105.07008	6.5
107.04958	0.9
107.08567	10.2
109.02866	0.8
109.06525	1.0
109.10134	19.2
111.04420	33.2
111.08031	0.5
111.11713	0.5
112.04772	0.3
113.02343	0.6
113.05964	0.7
113.28990	0.2
115.03909	10.1
115.05450	0.5
117.05470	5.0
117.06911	1.1
119.07708	0.5
119.08556	8.6
119.09389	0.5
121.06487	0.6
121.10116	9.5
123.04418	0.8
123.08039	0.7
123.11683	15.2
124.11987	0.2
125.05953	0.7
125.09608	0.3
127.03894	2.5
128.06129	0.3
129.05452	33.5
131.08543	3.0
133.04939	1.6
133.06433	0.3
133.10098	6.7
135.04404	0.5
135.08055	1.3
135.11664	8.6
137.06009	0.3
137.13222	5.7
139.03865	2.9
139.07497	0.6
141.05460	0.4
142.07744	0.4
143.03366	0.3
143.06949	0.2
143.08513	1.8
145.04915	4.7
145.06139	0.3
145.06540	0.3
145.10086	4.2
147.06491	10.7
147.11647	4.3
149.09581	0.5
149.13226	4.1
151.03888	0.3
151.07481	1.0
151.14799	1.0
153.05408	1.3
153.09053	0.6
155.08536	0.4
156.09280	0.3
157.04910	1.4
157.10077	2.4
159.06581	0.4
159.07988	0.5
159.11662	4.3
161.05981	0.3
161.09607	0.7
161.13210	3.4
163.05975	2.3
163.07507	2.1
163.14787	3.5
165.05472	0.4
165.07709	0.2
165.09058	0.7
167.10672	0.3
169.04895	0.4
169.10088	0.8
171.06500	9.3
171.11646	2.5
173.09532	0.7
173.13222	3.6
175.05890	0.4
175.11226	0.4
175.14781	2.7
177.09077	1.2
177.12697	0.4
177.16353	1.6
179.06985	0.3
179.10629	1.0
179.14265	0.4
181.04912	0.5
183.06427	0.3
183.11664	1.0
185.13208	2.4
187.05957	0.3
187.11198	0.2
187.14786	5.4
189.07561	0.4
189.09090	1.0
189.16353	3.1
191.10588	1.1
191.17892	5.6
193.12196	0.6
193.19463	1.3
195.06516	0.5
195.11752	0.4
197.08025	0.3
197.13251	0.7
199.05956	0.6
199.14774	1.7
201.12645	0.6
201.16350	3.8
203.10599	0.7
203.14337	0.4
203.17902	2.8
205.12183	0.7
205.15843	0.3
205.19487	0.8
207.06540	0.3
207.13742	0.5
207.17409	0.3
209.13251	0.4
211.14790	0.7
213.07513	0.5
213.12749	0.5
213.16333	1.3
215.10890	0.3
215.14252	0.6
215.17891	1.0
217.06934	0.3
217.12134	0.7
217.19447	1.3
219.13783	0.9
219.21065	0.8
221.15331	0.5
223.14758	0.5
225.07530	6.0
225.16309	0.9
227.14290	0.4
227.17903	1.3
227.66792	0.2
229.15854	0.4
229.19487	0.6
231.08615	3.7
231.13730	1.6
233.15309	1.6
235.16855	0.5
237.16394	0.3
239.17871	0.7
241.15894	0.4
241.19443	0.8
243.08598	5.2
243.20880	1.0
245.15332	2.9
247.16930	3.8
249.18497	0.3
251.17984	0.5
253.19466	0.9
255.17368	0.3
255.20978	0.6
257.15259	0.4
259.16876	0.7
261.07178	0.4
261.09647	4.1
261.18359	0.6
267.21005	0.6
271.16904	0.4
273.18369	0.5
275.20020	0.3
279.10687	2.6
279.21002	0.3
285.18402	0.8
287.20029	0.4
295.20557	0.4
299.19901	1.3
301.21680	1.1
303.22900	0.3
307.24252	0.4
309.22379	0.2
309.25671	0.9
313.21582	1.2
315.23148	3.0
321.25745	0.3
323.27225	0.9
327.23074	0.4
332.92221	0.2
333.25723	0.3
341.24374	0.4
351.26663	1.7
355.26086	0.3
363.26578	0.3
367.26132	0.7
369.27829	12.0
377.32089	1.7
381.27762	1.3
387.28937	1.2
391.33420	0.6
395.33054	1.4
401.31842	0.4
407.29129	0.2
409.34430	1.0
419.33054	1.5
437.34076	15.9
438.34268	0.7
443.91980	0.3
453.33484	0.3
455.35153	5.7
463.01001	0.2
467.35367	0.3
521.36523	0.2
529.36292	0.6
547.37903	1.3
565.38702	0.8
569.38068	0.3
587.39319	1.1
673.42346	0.7
715.44159	0.3
733.45081	9.4
733.57880	0.6
734.44220	0.6
843.48407	0.3
905.27026	0.2
981.50568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	12.4
69.07052	5.4
71.01342	1.8
71.04978	40.5
71.79244	0.5
72.05293	0.4
73.02899	6.1
74.09687	0.3
75.04465	4.1
77.03913	0.3
79.05471	4.4
81.03402	3.4
81.06616	0.3
81.07037	12.0
83.04965	21.5
83.08608	1.6
85.02888	100.0
85.06507	0.4
86.03210	0.7
87.00832	1.0
87.04451	3.1
91.05449	5.1
93.06468	0.2
93.07023	7.1
95.04959	2.5
95.08590	13.2
97.02874	17.4
97.06512	1.6
97.10123	1.3
99.04433	7.6
101.05987	1.2
103.03935	0.5
105.01842	1.1
105.07006	7.5
106.07327	0.3
107.04937	0.9
107.08571	12.3
109.02863	1.5
109.06521	1.6
109.10136	18.7
111.04422	14.7
111.08072	0.8
111.11697	0.6
113.05998	0.7
115.03908	9.4
117.05465	3.0
117.06998	1.0
118.06529	0.4
119.08553	8.2
119.75026	0.3
121.06509	0.9
121.10124	10.8
123.04404	0.7
123.08049	0.6
123.11682	17.7
124.12008	0.4
125.05962	0.8
125.09598	0.8
127.03893	7.4
129.05453	27.7
129.06987	0.9
131.08539	3.7
133.04985	1.6
133.06448	0.4
133.09131	0.6
133.10100	6.6
135.04382	0.4
135.08017	1.2
135.11670	8.9
137.05930	0.6
137.09561	0.4
137.13216	5.0
139.03912	1.9
139.07526	0.8
139.11147	0.5
143.06950	0.4
143.08548	1.8
144.09232	0.5
145.04927	4.7
145.10103	5.4
146.06058	0.4
147.06493	8.3
147.07887	0.6
147.08078	0.6
147.11661	5.1
149.05919	0.4
149.09581	1.0
149.13245	3.8
151.03857	0.5
151.07498	0.8
151.11142	0.3
151.14787	0.7
153.05406	0.7
153.09035	0.4
153.12720	0.4
155.08472	0.5
156.09296	0.5
157.04924	1.1
157.10092	3.4
159.07997	0.5
159.11670	5.5
161.09575	1.1
161.13223	3.4
163.05981	1.6
163.07504	1.6
163.11168	0.5
163.14795	2.6
165.05479	0.3
165.09064	0.8
165.12782	0.4
169.04922	0.6
169.10074	0.5
171.06497	20.7
171.11589	2.0
172.06906	0.5
173.09602	0.7
173.13242	3.5
175.11107	0.6
175.14755	2.6
177.05540	0.3
177.09106	1.5
177.16338	1.6
179.07124	0.4
179.10669	0.7
179.14310	0.4
181.10016	0.4
183.11642	0.9
185.13216	2.5
187.11133	0.7
187.14774	5.0
188.07040	0.4
189.07507	0.6
189.09084	0.9
189.12770	0.4
189.16357	3.4
191.10648	1.5
191.14191	0.3
191.17911	4.8
193.12192	0.6
193.19490	0.9
195.06570	0.4
197.13208	0.8
199.05832	0.3
199.14784	1.6
201.12642	0.4
201.16356	3.1
203.10603	0.7
203.14299	0.6
203.17914	3.7
205.12195	0.6
205.19487	0.9
207.13663	0.7
207.17406	0.5
209.13329	0.4
211.14793	0.8
213.12840	0.4
213.16368	1.5
215.10738	0.4
215.14275	0.4
215.17903	1.7
217.12111	0.5
217.15860	0.4
217.19478	1.2
219.13776	1.1
219.21027	0.8
221.15302	0.8
225.07542	5.4
225.16263	0.4
227.14291	0.4
227.17953	1.1
229.15930	0.5
229.19344	0.5
231.04942	2.0
231.08563	1.9
231.13751	1.5
233.15289	1.4
235.16869	0.6
239.17964	0.5
241.15746	0.5
241.19452	0.9
243.08603	4.3
243.21062	1.5
245.15327	2.8
247.16893	4.1
249.06049	2.1
253.19383	0.7
255.20900	1.2
257.15295	0.4
259.16895	0.7
261.09692	2.7
267.21048	0.3
269.22473	0.6
271.16882	0.5
273.18436	0.4
275.20001	0.5
279.10757	2.8
281.22446	0.4
285.18372	1.0
287.20007	0.5
297.22037	0.9
299.19907	1.0
301.21561	0.8
309.25772	0.7
313.21448	1.3
315.23148	2.9
321.25513	0.4
323.27246	0.5
327.23117	0.4
331.22754	0.4
333.25327	0.4
341.24576	0.3
351.26685	1.0
355.26013	0.3
359.09644	0.3
363.26749	0.4
367.26254	0.5
369.27835	8.6
370.27921	0.4
377.32162	1.6
378.44833	0.3
381.27655	0.9
387.28668	1.2
391.33524	0.8
395.32742	1.0
399.28500	0.4
401.31879	0.4
409.34354	0.9
419.32999	2.7
427.34482	0.3
437.34094	16.2
438.34119	1.0
455.35120	12.3
456.35355	1.2
467.34653	0.3
507.34042	0.3
529.36578	0.7
533.35919	0.4
547.37439	1.2
551.36749	0.7
565.38916	0.8
587.39484	1.9
599.38843	0.4
673.42615	0.8
679.41516	0.4
687.44623	0.3
715.42712	0.5
733.45081	6.4
734.44574	0.6
981.50903	3.2
982.48926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	24.2
69.07059	12.7
71.01341	4.9
71.04981	12.3
71.78879	0.7
73.02905	32.8
73.06543	0.5
75.04466	64.1
77.03930	0.6
79.05479	7.0
81.03387	2.7
81.07041	23.5
83.04964	39.8
83.08613	4.2
85.02888	100.0
85.06503	0.4
86.03208	0.5
87.04453	5.2
91.05455	7.2
93.07027	16.5
95.04960	4.2
95.08588	27.6
96.08893	0.4
97.02875	21.1
97.06519	2.3
97.10149	2.1
99.04441	13.2
100.04842	0.4
101.06000	13.3
103.03944	1.0
103.05473	0.5
103.89309	0.4
105.07012	14.1
106.08968	0.4
107.04930	0.9
107.08574	19.6
109.02853	1.3
109.06485	2.2
109.09051	0.6
109.10136	38.9
111.04420	41.4
111.08080	0.8
111.11710	0.9
113.02351	0.5
113.06005	1.5
115.03089	0.9
115.03908	17.7
117.05473	5.3
117.06966	2.2
119.07707	0.9
119.08562	17.3
121.06499	1.1
121.10124	23.0
123.04411	1.7
123.08058	1.4
123.11684	28.9
124.70871	0.4
125.05983	1.3
125.13221	0.5
127.03892	7.1
128.06194	0.7
129.05455	28.7
129.07031	1.5
130.07750	0.5
131.08548	7.2
133.04955	10.0
133.09138	0.9
133.10107	13.3
135.04408	0.6
135.08070	2.5
135.11667	18.5
137.05975	0.9
137.09543	0.6
137.13222	10.0
139.03883	3.7
139.07524	1.2
139.11127	0.5
142.07771	0.9
143.03352	1.0
143.07059	0.4
143.07463	0.6
143.08537	4.4
145.04922	0.4
145.06372	0.4
145.10114	10.9
147.06500	22.4
147.07790	0.8
147.11653	9.2
149.05930	1.0
149.09602	1.4
149.13229	9.1
151.03905	0.5
151.07504	1.4
151.11166	0.4
151.14835	2.6
153.05457	1.5
153.09119	0.7
153.12730	1.2
155.08553	1.2
156.09302	0.6
157.04951	3.7
157.10114	6.1
158.10800	0.5
159.08096	0.8
159.11664	10.8
161.09642	1.1
161.13223	8.5
163.03882	1.2
163.05997	1.7
163.07545	3.3
163.11150	0.6
163.14798	6.3
165.09093	1.3
167.07076	0.5
169.04958	1.5
169.10098	1.5
170.10959	0.4
171.06499	44.8
171.11635	5.1
173.08215	0.5
173.09604	0.8
173.13228	8.1
175.06001	0.5
175.11165	0.7
175.14798	7.0
177.05464	0.6
177.09096	3.2
177.16341	2.7
179.10619	2.0
179.14290	1.0
179.17967	0.5
181.04951	1.8
182.11078	0.4
183.11664	2.4
185.13237	5.7
187.11197	0.8
187.14774	11.4
189.07584	0.6
189.09033	2.1
189.12709	0.5
189.16339	6.5
191.10611	2.5
191.17911	11.1
193.12271	1.2
193.19533	1.7
195.06567	0.9
195.11601	0.6
196.12466	0.4
197.08104	0.5
197.13248	1.8
199.06017	1.9
199.11153	0.4
199.14777	4.8
201.12735	1.4
201.16345	7.1
203.10645	1.5
203.14351	1.2
203.17924	7.2
205.12180	1.2
205.19522	1.7
207.06448	0.5
207.13823	0.7
207.17395	1.0
209.13242	0.9
211.14856	1.8
213.12614	0.4
213.16296	2.9
213.59724	0.4
215.17981	2.6
217.06947	0.9
217.12300	1.0
217.19434	2.5
219.13821	1.9
219.21065	1.0
221.15338	1.4
221.18945	0.6
223.14821	1.0
225.07568	5.9
225.16356	1.4
227.14323	1.0
227.17853	2.0
229.15901	0.7
229.19524	1.5
231.08629	4.0
231.13766	4.4
231.17365	0.5
233.15286	3.7
235.16937	0.7
238.17537	0.4
239.17940	1.5
241.19409	2.8
243.08591	5.3
243.21106	1.8
245.15326	5.0
245.19089	0.5
247.16907	10.7
249.18620	0.6
253.16013	0.4
253.19466	1.9
255.21072	2.2
257.15366	1.0
257.22543	0.5
259.16977	1.8
261.09650	2.7
261.18539	0.7
267.21033	1.1
269.22659	0.7
271.16763	0.8
271.20984	0.5
273.18542	1.2
273.21973	0.5
275.20105	1.1
277.19305	0.6
279.10663	1.2
279.20978	0.7
281.22598	0.8
285.18484	1.4
285.21841	0.6
287.20050	1.2
289.21689	0.7
295.20636	0.7
295.23911	0.6
297.22083	0.7
299.19974	2.2
301.21521	2.1
303.23053	0.6
307.24283	0.8
309.25778	1.5
313.21506	2.4
315.23108	5.5
321.25830	1.1
323.27356	0.6
327.23315	1.0
327.26883	0.7
331.22662	0.5
341.24710	1.1
351.26791	1.7
353.24625	1.2
355.26425	1.0
367.26376	1.2
369.23196	0.7
369.27841	14.7
377.32083	6.6
381.27780	4.1
387.28915	2.2
391.28510	0.7
391.33569	1.3
395.33105	10.0
397.30942	0.5
399.28915	0.9
409.34521	2.1
419.33069	5.3
435.32407	0.6
437.34103	52.8
438.34277	2.0
449.34250	0.7
453.33771	0.7
455.35150	27.4
456.35455	1.5
467.35168	0.8
479.35178	0.6
509.36023	0.4
515.35278	1.1
521.36688	0.6
527.37628	0.9
529.36853	0.5
533.35999	2.0
547.37610	1.1
551.37134	1.0
565.39221	0.6
569.38257	0.9
587.39435	2.0
724.21881	0.4
733.45044	18.2
734.45221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	10.3
69.07052	4.9
71.01336	1.6
71.04975	43.2
71.08627	0.2
72.05310	0.2
73.02900	5.4
75.04462	2.1
77.67239	0.1
79.05472	2.5
81.03417	1.2
81.07036	8.9
83.01319	0.1
83.04961	18.3
83.08597	1.2
85.02884	100.0
86.03230	0.5
86.06055	0.2
87.04449	2.1
91.05447	2.7
91.06006	0.2
93.07023	5.5
95.04955	1.7
95.08582	9.8
97.02868	11.9
97.06493	0.8
97.10134	0.7
98.06081	0.1
98.21436	0.2
99.04428	7.3
101.02374	0.1
101.06011	0.6
103.03918	0.5
103.05427	0.1
105.07005	4.8
107.04948	0.4
107.08568	7.9
109.02847	0.7
109.06502	0.8
109.10129	14.7
110.10490	0.2
111.04415	12.2
111.08052	0.2
111.11666	0.5
112.04695	0.1
113.02352	0.4
113.05966	0.4
115.03903	8.2
117.05466	4.0
117.06890	0.7
119.08552	5.9
121.06470	0.4
121.10114	7.7
123.04394	0.6
123.08068	0.5
123.11674	11.5
124.11993	0.2
125.05962	0.7
125.13251	0.2
127.03888	2.8
128.06149	0.2
129.05446	27.4
130.05792	0.2
131.08537	2.5
133.04935	1.0
133.06487	0.4
133.10095	5.3
135.04456	0.3
135.08046	1.3
135.11658	6.5
137.05951	0.3
137.09645	0.2
137.13222	4.0
137.14273	0.2
139.03856	1.9
139.07536	0.3
139.11153	0.2
141.05415	0.2
141.06952	0.2
142.07707	0.3
143.03386	0.2
143.08540	1.8
144.09277	0.3
145.04929	3.5
145.10086	3.5
147.06487	9.0
147.11646	3.1
149.05968	0.2
149.09560	0.3
149.13217	3.2
149.66942	0.1
151.03864	0.2
151.07520	0.7
151.11145	0.1
151.14784	0.7
153.05437	0.8
153.09114	0.4
153.12747	0.1
155.08519	0.3
156.09248	0.2
157.04944	1.0
157.10100	2.0
158.10893	0.2
159.06517	0.2
159.08028	0.3
159.11656	4.2
161.09596	0.7
161.13226	2.7
163.03845	0.2
163.05980	2.0
163.07513	1.8
163.11075	0.3
163.14790	2.1
165.05406	0.3
165.07634	0.3
165.09096	0.4
165.12753	0.2
165.16356	0.2
167.10606	0.3
167.14299	0.1
169.04955	0.5
169.10054	0.5
170.10909	0.2
171.06485	18.7
171.11613	1.7
172.06802	0.2
173.09573	0.4
173.13226	2.9
175.06081	0.2
175.11145	0.3
175.14796	2.2
177.09079	1.5
177.10521	0.2
177.12737	0.1
177.16359	1.1
179.07019	0.3
179.10649	0.8
179.14287	0.2
179.17940	0.2
181.04881	0.3
181.10123	0.1
183.06461	0.2
183.11639	0.7
185.09607	0.2
185.13231	2.1
187.06068	0.2
187.11206	0.3
187.14769	3.7
189.05429	0.1
189.07509	0.3
189.09073	0.9
189.12723	0.2
189.16336	2.7
191.10643	1.0
191.17900	4.2
193.12227	0.4
193.19441	1.2
195.06461	0.3
195.11649	0.3
196.12560	0.1
197.08017	0.1
197.13234	0.8
199.06065	0.5
199.11174	0.1
199.14764	1.5
201.07523	0.2
201.12666	0.5
201.16341	2.8
202.16727	0.1
203.10652	0.7
203.14244	0.4
203.17903	2.3
205.12213	0.5
205.15742	0.1
205.19518	0.7
207.06480	0.3
207.11768	0.1
207.13783	0.3
207.17397	0.2
209.13199	0.3
211.14787	0.5
213.07538	0.3
213.12776	0.2
213.16321	1.0
215.14348	0.2
215.17920	1.0
217.06853	0.2
217.12102	0.4
217.15865	0.2
217.19479	0.9
219.13736	0.9
219.17488	0.2
219.21059	0.5
221.15320	0.6
221.18835	0.2
223.14748	0.3
225.07529	4.6
225.12547	0.2
225.16393	0.4
227.14247	0.4
227.17934	0.8
229.12105	0.3
229.15820	0.5
229.19453	0.4
231.08615	1.8
231.13748	1.3
231.17285	0.2
231.21001	0.2
233.15331	1.2
235.16888	0.3
237.16307	0.2
239.17854	0.6
241.15742	0.5
241.19368	0.8
243.08603	4.1
243.13779	0.3
243.21092	0.7
245.15332	2.1
247.16887	3.1
249.16301	0.1
249.18541	0.2
251.17903	0.2
253.19423	0.7
255.17511	0.4
255.20985	0.7
257.15384	0.2
259.16931	0.6
261.09634	2.8
261.18369	0.4
267.20981	0.5
269.22479	0.2
271.16891	0.4
271.20413	0.1
273.18329	0.6
275.19952	0.4
279.10687	2.1
279.20950	0.2
281.22458	0.1
283.20248	0.2
285.18384	0.5
285.22067	0.2
287.19949	0.4
295.20459	0.2
295.23849	0.1
297.22079	0.3
299.20041	1.0
301.21530	0.7
307.24057	0.2
309.25635	0.7
311.20053	0.2
313.21600	1.1
315.23114	2.2
321.25806	0.3
323.27206	0.4
325.21378	0.2
327.23163	0.2
327.26672	0.2
329.24542	0.2
333.25739	0.3
335.27200	0.2
341.24609	0.3
341.28281	0.2
343.26401	0.1
351.26706	1.3
355.26218	0.4
363.26788	0.3
367.26282	0.6
369.27817	8.9
370.28162	0.3
373.27182	0.2
377.27823	0.2
377.31976	1.7
381.27805	1.0
387.28787	1.0
391.28784	0.1
391.33435	0.5
395.33209	1.1
399.28836	0.3
401.31857	0.2
409.34351	0.5
419.33047	1.5
435.32642	0.2
437.34058	11.9
438.34244	0.4
449.34030	0.2
453.33383	0.3
455.28754	0.2
455.35098	4.0
456.35522	0.1
467.35016	0.3
483.30878	0.2
489.68680	0.2
491.34711	0.2
505.36975	0.1
509.35818	0.2
511.35229	0.1
515.33112	0.1
523.37488	0.2
529.36499	0.4
533.35986	0.2
547.37756	1.0
551.37213	0.1
565.38837	0.6
568.30121	0.1
569.37958	0.3
583.39453	0.2
587.39246	0.9
673.43109	0.6
715.43616	0.3
733.45007	7.1
734.44928	0.5
884.56378	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	977.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.4
69.07062	2.3
70.06592	0.4
71.04982	3.6
71.79761	0.2
73.02906	0.4
79.05476	2.1
79.58989	0.1
80.15983	0.1
81.03407	2.4
81.07043	6.7
83.01324	0.3
83.04985	0.8
83.08609	1.9
85.02892	9.9
85.06531	0.6
87.04457	0.6
89.03896	0.2
91.03946	0.6
91.05455	3.2
93.07028	6.8
95.04962	0.8
95.08591	9.6
97.02873	4.0
97.06528	0.8
97.10156	1.2
99.04446	0.7
99.08085	0.8
103.05462	0.4
105.07013	6.2
107.04971	0.4
107.08575	10.0
109.02856	1.4
109.06499	0.9
109.10139	9.8
110.07103	0.2
111.04433	0.3
111.08093	0.5
111.11697	0.3
112.07525	0.2
114.09162	0.5
115.03930	0.2
117.06979	1.0
119.04944	0.3
119.08563	7.8
121.06480	1.0
121.10127	10.1
122.10445	0.2
123.04463	0.3
123.08064	0.9
123.11685	6.5
125.05959	0.2
125.09612	2.6
127.03890	2.4
127.07553	0.3
127.11177	2.0
128.06146	0.3
129.05475	0.4
129.07019	0.5
130.08652	0.4
131.04907	0.3
131.08537	2.6
133.06616	0.4
133.10106	8.2
135.08032	1.2
135.11671	8.8
136.06229	0.3
136.07512	0.2
137.05977	0.8
137.09593	0.8
137.13220	2.5
139.07532	0.2
139.11211	0.5
141.12677	0.8
143.08531	1.2
143.10655	3.4
144.09424	0.2
145.02863	0.5
145.04927	1.4
145.06540	0.2
145.10101	5.2
145.11201	0.3
145.76764	0.2
147.04407	1.1
147.08037	0.7
147.11670	5.7
149.06058	0.3
149.09584	0.9
149.13237	3.1
151.03932	0.4
151.07567	0.3
151.11189	0.5
151.14839	0.5
153.05537	0.3
153.09123	0.3
153.12772	0.5
155.08546	0.4
157.10097	2.2
158.10860	0.2
159.08066	0.5
159.11665	4.2
161.06006	0.2
161.09601	1.0
161.13243	3.7
161.14503	0.3
163.03911	0.7
163.07596	0.3
163.11203	0.6
163.14806	2.4
165.09117	0.4
165.12773	0.2
167.07051	0.7
167.08417	0.2
169.10117	0.8
169.36171	0.2
170.10912	0.2
171.07985	0.2
171.11653	2.1
173.09622	0.7
173.13243	3.4
175.03874	0.4
175.11243	0.8
175.14790	2.7
177.05540	0.8
177.09122	0.4
177.12749	0.5
177.16364	1.5
179.10698	0.7
179.14323	0.4
181.04881	0.2
181.10124	0.2
181.12225	0.2
183.11650	1.0
185.09648	0.2
185.13202	2.1
187.11218	0.5
187.14786	3.5
189.09048	0.2
189.12782	0.6
189.16376	2.7
189.98740	0.2
191.10529	0.4
191.14285	0.6
191.17906	2.3
193.08525	0.2
193.12312	0.4
193.15974	0.3
195.11734	0.6
197.13168	0.8
199.11238	0.2
199.14792	2.1
201.12700	0.4
201.16368	2.8
201.18129	0.2
203.10654	0.2
203.14337	0.5
203.17949	2.7
205.12259	0.4
205.15901	0.3
207.06548	0.2
207.13789	0.2
209.13235	0.4
211.14725	0.9
213.16341	1.3
214.17006	0.2
215.14378	0.7
215.17897	1.0
217.12305	0.3
217.15953	0.5
217.19490	1.0
219.10141	0.3
219.13763	0.4
219.17493	0.4
221.15379	0.3
222.13857	0.2
223.14854	0.4
225.16432	0.6
227.14359	0.4
227.17876	1.1
229.15891	0.5
229.19585	0.4
231.13890	0.6
231.17436	0.5
233.15401	0.7
233.19023	0.2
235.16924	0.3
237.16429	0.4
239.18083	0.4
241.15839	0.3
241.19446	0.8
243.17442	0.2
243.21062	0.3
245.15416	0.5
245.19014	0.4
247.16904	1.1
249.11288	0.7
251.18161	0.4
253.19574	0.6
255.17453	0.2
255.18681	0.2
255.21016	1.4
257.19122	0.6
259.17020	0.3
259.20590	0.5
261.18604	0.3
265.09219	0.2
265.13257	0.2
265.19577	0.4
267.21164	0.4
269.22687	0.6
271.20612	0.4
273.22089	0.5
275.20261	0.3
279.11185	0.4
279.21155	0.3
281.22995	0.2
285.22021	0.4
287.23657	0.2
289.21796	0.2
295.20779	0.2
297.22211	0.7
297.25397	0.2
299.20203	0.2
299.23596	0.3
301.21671	0.5
307.24002	0.2
309.25769	0.4
311.13818	0.2
311.23795	0.2
313.21552	0.4
313.24869	0.2
315.23138	2.0
315.26566	0.3
321.25845	0.3
323.27481	0.2
325.25253	0.3
333.25876	0.3
339.26715	0.2
341.24780	0.3
351.26733	0.6
369.27911	0.4
377.32486	0.2
391.33243	0.2
395.33206	1.2
409.34509	0.9
419.32870	1.3
437.34131	4.8
453.34293	0.3
455.35175	11.2
471.34631	0.5
472.35303	0.2
473.36218	4.1
474.36325	0.2
489.35611	0.7
491.37112	0.4
551.97327	0.2
617.40381	5.1
635.41437	100.0
636.41779	3.3
653.42480	6.2
654.41968	0.2
761.30542	0.2
779.44971	0.4
797.46417	0.2
815.46509	0.3
977.50696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69678	0.4
69.03419	7.1
69.07050	5.9
69.50388	5.1
69.50798	1.1
70.06564	0.8
71.01334	1.9
71.04978	54.8
72.08118	0.6
73.02909	3.7
73.74741	0.4
75.04459	6.0
79.05475	6.7
80.04963	0.5
81.03398	3.2
81.07037	14.8
83.04963	22.6
83.08602	3.3
85.02888	100.0
85.06515	1.1
87.04459	3.5
89.06000	0.8
90.73209	0.6
91.03929	2.0
91.05453	8.5
93.06419	0.6
93.06544	0.3
93.07019	16.0
95.04949	5.0
95.08586	26.3
97.02879	8.1
97.06502	3.6
97.10138	2.0
98.20637	0.9
99.04435	2.3
99.08067	0.5
101.02377	0.7
101.06012	0.7
103.03967	0.7
103.05430	0.8
105.07011	13.4
107.04961	1.0
107.08572	22.4
109.02873	2.1
109.06493	4.0
109.10136	20.1
111.04420	13.0
111.05131	1.0
111.08083	1.4
111.11768	0.9
113.05996	1.7
114.09177	1.7
115.69097	0.5
117.03339	0.6
117.06986	3.7
118.13134	0.5
119.04885	1.1
119.08562	20.5
121.06493	2.1
121.10120	21.8
123.04439	0.9
123.08043	54.5
123.11682	9.2
124.08392	0.5
125.06001	1.0
125.09580	3.2
127.03896	5.4
127.11215	0.9
128.06212	0.6
128.64261	0.5
129.05447	30.1
129.07008	1.5
130.08691	0.7
131.08534	6.5
133.10104	20.2
135.08037	2.5
135.11664	18.4
136.06195	0.8
137.06015	2.3
137.09587	33.8
137.13216	5.4
139.03841	0.8
139.07530	1.1
139.11153	1.7
141.07025	0.9
141.09106	2.1
142.07816	0.7
143.08536	4.3
143.10678	1.0
145.02866	0.8
145.04945	3.3
145.06439	1.2
145.10100	11.7
147.04442	2.0
147.06519	8.0
147.08009	1.4
147.11664	12.5
149.05994	1.2
149.09607	1.8
149.13234	8.0
151.07536	0.5
151.11215	1.7
151.14796	1.2
153.09050	1.0
155.07346	0.6
155.08498	2.4
157.10121	5.9
158.10797	0.8
159.08054	1.8
159.11667	12.3
160.09676	0.7
161.05971	0.7
161.09587	2.6
161.13214	7.9
163.03897	1.3
163.06026	1.5
163.07532	1.9
163.11179	1.5
163.14796	4.0
165.07736	0.7
165.09135	1.8
165.12784	0.7
167.07072	1.1
167.10701	0.8
169.10175	2.0
171.07956	0.6
171.11649	5.8
173.09647	1.6
173.13222	6.5
175.03917	0.5
175.11154	3.3
175.14761	5.9
177.05440	2.8
177.09129	1.5
177.12840	0.8
177.16348	3.6
179.10695	2.3
181.08578	0.7
181.10057	0.7
183.11667	3.5
185.09714	0.6
185.13205	4.2
187.11195	1.2
187.14767	9.0
189.12759	1.4
189.16353	8.1
191.10620	3.0
191.14311	1.4
191.17918	7.9
193.10646	0.5
193.12177	2.8
193.15894	0.5
195.11717	0.8
195.13658	0.5
197.13155	2.9
199.09627	4.5
199.11185	1.0
199.14799	4.0
201.05357	0.6
201.12785	1.3
201.16362	5.5
203.14339	1.6
203.17921	5.4
205.12292	1.1
205.15936	0.6
205.19550	0.7
207.06548	1.3
207.13870	0.8
207.17455	1.3
209.13208	1.3
211.14847	1.9
213.12820	1.4
213.16342	4.6
215.14384	1.7
215.17979	2.2
217.10649	13.5
217.15868	1.0
217.19586	1.4
219.13779	1.0
223.14769	1.2
225.16356	1.4
227.14449	1.2
227.17882	2.5
229.15965	1.1
229.19522	1.3
231.13823	1.7
231.21118	0.5
233.10263	1.3
233.15379	1.7
237.16486	0.8
239.18074	0.8
241.19518	0.8
243.13879	0.7
243.17377	0.9
243.21135	1.9
245.15416	2.0
247.16872	1.1
251.18060	0.8
253.19539	1.8
255.08664	1.5
255.17560	0.7
255.21045	2.4
257.15381	0.6
257.19211	0.5
259.16827	0.8
261.18698	0.6
263.16510	0.6
265.19662	0.9
267.21185	1.7
269.19104	0.7
269.22604	0.8
271.17172	0.8
273.09644	1.2
273.18481	0.5
279.11218	1.2
281.22711	1.6
285.18570	0.8
285.22040	0.6
287.20190	0.7
291.10938	0.5
293.22717	1.9
295.20746	0.7
295.24048	0.6
299.20163	0.9
301.21570	0.6
309.11877	1.9
311.23587	1.4
311.26947	0.6
313.21600	3.2
313.24817	0.7
315.23032	2.7
321.25848	1.1
323.27365	2.3
325.25211	0.6
327.23395	0.8
339.26901	1.1
341.24713	0.8
347.27335	0.9
349.25220	0.9
357.24237	1.2
361.15100	0.9
365.28336	5.1
367.26273	1.3
383.29373	45.8
384.29767	1.2
385.27475	1.5
393.31729	1.2
401.30420	15.5
403.28543	1.5
411.32666	1.1
417.31519	1.8
423.32632	1.3
435.32407	7.0
437.34402	1.6
441.33533	1.0
453.33603	29.2
454.34174	1.0
455.35184	2.8
471.34641	56.6
472.35153	1.4
473.36383	2.0
475.32251	0.7
489.35663	21.0
490.36322	0.8
493.33289	4.1
507.36987	2.1
511.34085	7.4
529.35529	1.0
547.36572	1.3
581.37836	0.7
617.40387	0.8
633.39911	9.2
634.40601	0.6
635.41461	7.8
651.40942	11.7
673.39722	0.7
691.40295	2.8
709.41248	1.6
761.44135	4.2
779.45624	78.7
780.45703	3.3
795.44659	0.9
797.46643	40.9
798.46954	1.6
815.48578	2.8
941.50549	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	977.53
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	7.2
69.07057	7.3
70.06565	0.6
71.01331	1.4
71.04977	63.9
71.79311	0.8
71.79677	0.5
73.02901	3.7
74.92465	0.6
75.04464	6.9
79.05480	7.2
81.03414	3.6
81.06586	1.1
81.07039	15.5
83.04962	24.5
83.08607	3.0
84.08154	0.6
85.02886	100.0
85.06520	1.7
86.03202	0.9
86.06042	0.5
87.04459	3.1
91.03932	2.2
91.05459	8.5
93.07022	15.1
95.04952	5.6
95.08585	27.2
97.02868	9.3
97.06518	4.0
97.10159	2.1
99.04438	2.7
99.08098	0.9
101.06013	1.0
103.05405	0.9
105.07009	13.9
107.04941	1.5
107.08567	24.5
108.08866	0.9
109.02853	2.2
109.06490	3.5
109.10136	21.8
111.03649	0.7
111.04422	14.1
111.08053	1.3
111.11726	0.9
113.05989	1.5
113.09579	0.9
114.09131	1.5
115.05431	0.6
117.07001	2.3
119.04918	1.3
119.08553	21.0
121.06484	2.9
121.10120	21.9
121.56241	0.6
122.10513	0.5
123.08043	57.3
123.11672	9.4
125.05959	1.0
125.09576	3.4
127.03863	5.0
127.11169	1.0
129.05450	32.3
129.07027	1.8
130.08615	0.8
131.08542	7.3
133.04787	0.6
133.06493	0.9
133.10104	22.0
135.08052	2.7
135.11664	18.3
137.05983	2.4
137.09592	35.2
137.13229	6.3
137.51900	0.6
139.03851	0.9
139.07507	1.1
139.11171	2.1
140.07040	0.7
141.06990	0.6
141.09044	1.0
142.07771	1.0
143.08536	4.1
143.10628	1.1
144.09381	0.7
145.02824	1.0
145.04951	3.1
145.06508	0.7
145.10078	13.5
147.04401	2.5
147.06508	9.7
147.08005	1.7
147.11646	13.9
149.05959	0.5
149.09607	2.2
149.13222	8.1
151.03893	1.3
151.07584	0.8
151.11177	1.1
151.14818	1.4
153.09126	0.8
153.12807	0.6
155.08563	1.9
156.09319	1.2
157.10078	5.3
159.08018	1.3
159.11664	11.4
160.09669	1.3
161.05966	0.7
161.09636	2.4
161.13216	9.3
161.67842	0.6
163.03857	1.6
163.06055	1.0
163.07533	1.6
163.11147	1.6
163.14790	4.2
165.07697	0.7
165.09152	1.6
165.12688	0.6
167.07047	1.1
167.10619	0.9
169.10133	2.1
170.10826	0.7
171.07997	0.6
171.11647	6.1
172.12361	0.6
173.09663	1.2
173.13240	7.7
175.07614	0.5
175.11191	3.1
175.14772	5.6
177.05482	1.9
177.09129	1.9
177.12761	1.0
177.16368	3.9
179.10616	3.0
179.14305	1.0
181.10077	0.8
181.12242	0.6
183.11685	2.3
185.09520	0.6
185.13213	5.2
187.11200	2.1
187.14796	10.3
189.09056	0.9
189.12798	1.8
189.16341	8.4
191.10641	4.1
191.14333	1.3
191.17874	8.3
193.12189	3.2
194.56830	0.6
195.11711	1.7
195.13612	0.7
197.13226	3.2
199.09586	5.3
199.14806	3.8
201.12735	0.8
201.16328	5.7
203.14268	1.7
203.17900	5.8
205.06894	0.6
205.12198	1.0
205.15915	0.7
207.06483	1.3
207.11850	0.8
207.13773	1.2
207.17389	0.9
209.13300	2.3
211.14751	2.8
213.12790	1.4
213.16321	4.2
215.14285	1.5
215.17952	2.5
217.10651	12.3
217.15926	1.1
217.19371	1.3
219.13837	1.2
221.13251	0.6
221.15298	0.8
223.14859	1.2
225.16435	1.7
227.14319	1.2
227.17979	2.4
229.15886	1.3
229.19559	2.4
231.13826	2.4
231.17526	0.7
233.10089	0.8
233.15340	1.1
237.16434	1.3
239.17838	1.6
241.15961	1.3
241.19559	1.6
243.13806	0.7
243.21111	2.4
245.15466	2.0
247.16940	1.4
251.18159	0.7
253.19620	1.9
255.08493	1.2
255.17345	0.6
255.21086	2.9
257.15134	0.7
257.19089	0.8
259.16953	0.9
261.18689	0.6
265.19489	0.8
267.21140	2.0
268.11835	0.6
269.22330	0.7
271.16873	0.9
273.09805	0.7
273.18600	0.6
279.11319	0.9
279.20868	0.8
281.22812	1.6
291.11151	0.9
291.21097	0.7
293.22623	1.6
295.20563	1.0
309.11661	2.6
311.23795	1.0
311.27377	0.7
313.21585	5.9
315.23248	2.2
321.25671	0.6
323.23959	0.7
323.27338	2.4
327.23203	1.6
339.26785	0.8
349.25214	1.1
357.24234	1.4
365.28369	6.3
367.26309	1.8
383.29364	43.1
384.29825	1.3
385.27328	1.7
393.31644	0.9
401.30429	16.0
403.28424	1.3
407.32950	0.9
411.32553	1.0
417.31387	1.2
423.32477	1.4
435.32532	9.3
437.34064	2.0
441.33737	1.7
448.35074	0.6
453.33569	28.6
454.34012	1.0
455.35098	2.6
469.33313	0.7
471.34607	58.0
472.35010	2.9
473.36255	2.0
475.32159	1.0
489.35645	21.0
490.36282	1.5
493.33002	3.7
507.36832	1.6
511.33957	6.3
547.36401	1.1
563.35962	1.1
617.40540	1.4
633.39758	9.4
635.41449	7.6
637.90833	0.6
651.40955	12.4
653.41663	0.6
673.39099	0.6
691.40405	2.5
709.41443	1.2
761.45062	3.1
779.45599	75.3
780.45642	4.7
797.46698	39.3
798.46942	3.0
815.47943	2.2
941.50946	3.6
942.50922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.4
69.07062	2.3
70.06592	0.4
71.04982	3.6
71.79761	0.2
73.02906	0.4
79.05476	2.1
79.58989	0.1
80.15983	0.1
81.03407	2.4
81.07043	6.7
83.01324	0.3
83.04985	0.8
83.08609	1.9
85.02892	9.9
85.06531	0.6
87.04457	0.6
89.03896	0.2
91.03946	0.6
91.05455	3.2
93.07028	6.8
95.04962	0.8
95.08591	9.6
97.02873	4.0
97.06528	0.8
97.10156	1.2
99.04446	0.7
99.08085	0.8
103.05462	0.4
105.07013	6.2
107.04971	0.4
107.08575	10.0
109.02856	1.4
109.06499	0.9
109.10139	9.8
110.07103	0.2
111.04433	0.3
111.08093	0.5
111.11697	0.3
112.07525	0.2
114.09162	0.5
115.03930	0.2
117.06979	1.0
119.04944	0.3
119.08563	7.8
121.06480	1.0
121.10127	10.1
122.10445	0.2
123.04463	0.3
123.08064	0.9
123.11685	6.5
125.05959	0.2
125.09612	2.6
127.03890	2.4
127.07553	0.3
127.11177	2.0
128.06146	0.3
129.05475	0.4
129.07019	0.5
130.08652	0.4
131.04907	0.3
131.08537	2.6
133.06616	0.4
133.10106	8.2
135.08032	1.2
135.11671	8.8
136.06229	0.3
136.07512	0.2
137.05977	0.8
137.09593	0.8
137.13220	2.5
139.07532	0.2
139.11211	0.5
141.12677	0.8
143.08531	1.2
143.10655	3.4
144.09424	0.2
145.02863	0.5
145.04927	1.4
145.06540	0.2
145.10101	5.2
145.11201	0.3
145.76764	0.2
147.04407	1.1
147.08037	0.7
147.11670	5.7
149.06058	0.3
149.09584	0.9
149.13237	3.1
151.03932	0.4
151.07567	0.3
151.11189	0.5
151.14839	0.5
153.05537	0.3
153.09123	0.3
153.12772	0.5
155.08546	0.4
157.10097	2.2
158.10860	0.2
159.08066	0.5
159.11665	4.2
161.06006	0.2
161.09601	1.0
161.13243	3.7
161.14503	0.3
163.03911	0.7
163.07596	0.3
163.11203	0.6
163.14806	2.4
165.09117	0.4
165.12773	0.2
167.07051	0.7
167.08417	0.2
169.10117	0.8
169.36171	0.2
170.10912	0.2
171.07985	0.2
171.11653	2.1
173.09622	0.7
173.13243	3.4
175.03874	0.4
175.11243	0.8
175.14790	2.7
177.05540	0.8
177.09122	0.4
177.12749	0.5
177.16364	1.5
179.10698	0.7
179.14323	0.4
181.04881	0.2
181.10124	0.2
181.12225	0.2
183.11650	1.0
185.09648	0.2
185.13202	2.1
187.11218	0.5
187.14786	3.5
189.09048	0.2
189.12782	0.6
189.16376	2.7
189.98740	0.2
191.10529	0.4
191.14285	0.6
191.17906	2.3
193.08525	0.2
193.12312	0.4
193.15974	0.3
195.11734	0.6
197.13168	0.8
199.11238	0.2
199.14792	2.1
201.12700	0.4
201.16368	2.8
201.18129	0.2
203.10654	0.2
203.14337	0.5
203.17949	2.7
205.12259	0.4
205.15901	0.3
207.06548	0.2
207.13789	0.2
209.13235	0.4
211.14725	0.9
213.16341	1.3
214.17006	0.2
215.14378	0.7
215.17897	1.0
217.12305	0.3
217.15953	0.5
217.19490	1.0
219.10141	0.3
219.13763	0.4
219.17493	0.4
221.15379	0.3
222.13857	0.2
223.14854	0.4
225.16432	0.6
227.14359	0.4
227.17876	1.1
229.15891	0.5
229.19585	0.4
231.13890	0.6
231.17436	0.5
233.15401	0.7
233.19023	0.2
235.16924	0.3
237.16429	0.4
239.18083	0.4
241.15839	0.3
241.19446	0.8
243.17442	0.2
243.21062	0.3
245.15416	0.5
245.19014	0.4
247.16904	1.1
249.11288	0.7
251.18161	0.4
253.19574	0.6
255.17453	0.2
255.18681	0.2
255.21016	1.4
257.19122	0.6
259.17020	0.3
259.20590	0.5
261.18604	0.3
265.09219	0.2
265.13257	0.2
265.19577	0.4
267.21164	0.4
269.22687	0.6
271.20612	0.4
273.22089	0.5
275.20261	0.3
279.11185	0.4
279.21155	0.3
281.22995	0.2
285.22021	0.4
287.23657	0.2
289.21796	0.2
295.20779	0.2
297.22211	0.7
297.25397	0.2
299.20203	0.2
299.23596	0.3
301.21671	0.5
307.24002	0.2
309.25769	0.4
311.13818	0.2
311.23795	0.2
313.21552	0.4
313.24869	0.2
315.23138	2.0
315.26566	0.3
321.25845	0.3
323.27481	0.2
325.25253	0.3
333.25876	0.3
339.26715	0.2
341.24780	0.3
351.26733	0.6
369.27911	0.4
377.32486	0.2
391.33243	0.2
395.33206	1.2
409.34509	0.9
419.32870	1.3
437.34131	4.8
453.34293	0.3
455.35175	11.2
471.34631	0.5
472.35303	0.2
473.36218	4.1
474.36325	0.2
489.35611	0.7
491.37112	0.4
551.97327	0.2
617.40381	5.1
635.41437	100.0
636.41779	3.3
653.42480	6.2
654.41968	0.2
761.30542	0.2
779.44971	0.4
797.46417	0.2
815.46509	0.3
977.50696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.1
69.07053	3.3
70.74856	0.1
70.75198	0.4
71.04980	3.0
71.08608	0.2
73.02906	0.5
77.03889	0.2
79.05478	2.2
80.24222	0.1
81.03409	1.5
81.07041	7.1
83.01331	0.3
83.04969	0.4
83.08605	1.6
85.02888	9.4
85.06528	0.7
87.04469	0.7
91.03944	0.4
91.05456	3.0
93.07027	6.8
95.04945	0.5
95.08588	11.1
97.02874	4.0
97.06506	0.7
97.10152	1.2
98.20778	0.1
99.04433	0.7
99.08068	0.8
103.05454	0.2
105.07011	5.6
107.04951	0.2
107.08572	11.4
108.08912	0.1
109.02847	1.3
109.03419	0.1
109.06495	0.6
109.10137	10.7
111.08072	0.5
111.11693	0.4
113.09618	0.4
115.05383	0.1
117.06978	0.8
119.07840	0.2
119.08557	8.5
121.06498	0.5
121.10123	9.6
123.08051	0.4
123.11683	6.4
125.09607	2.5
127.03905	2.3
127.07522	0.3
127.11176	2.2
129.07022	0.4
130.07799	0.2
131.08534	2.7
131.20602	0.1
133.10104	9.1
134.10483	0.2
135.08051	1.2
135.11665	10.0
137.06012	0.2
137.09613	0.8
137.13223	2.7
139.07539	0.3
139.11177	0.6
141.06876	0.2
141.12730	0.9
142.07759	0.3
143.08562	1.3
143.10646	3.7
143.11707	0.3
144.09306	0.2
145.04951	1.3
145.06151	0.2
145.10098	5.1
146.07150	0.1
147.04376	0.2
147.08046	0.8
147.11656	5.9
149.09621	0.8
149.13219	3.9
151.07536	0.2
151.11179	0.6
151.14832	0.3
153.09082	0.3
153.12703	0.7
155.08530	0.4
156.09366	0.2
157.10104	2.4
159.08099	0.2
159.11664	5.0
161.09604	1.1
161.13231	4.4
163.03926	0.1
163.07477	0.2
163.11159	0.6
163.14786	2.5
165.09068	0.4
165.12772	0.4
167.10672	0.2
167.14311	0.2
169.10114	0.9
170.10895	0.1
171.08035	0.2
171.11649	2.8
172.12332	0.1
173.09622	0.6
173.13222	3.8
174.13785	0.1
175.11154	1.0
175.14790	2.6
177.05521	0.1
177.09142	0.4
177.12807	0.5
177.16389	1.4
179.10670	0.6
179.14320	0.4
179.17801	0.1
181.10086	0.3
182.08038	0.2
183.11665	1.0
185.09589	0.2
185.13229	2.4
187.11136	0.6
187.14781	3.4
189.09044	0.2
189.12750	0.5
189.16353	3.5
191.10655	0.5
191.14325	0.4
191.17906	2.6
193.12267	0.3
193.15862	0.2
195.11694	0.5
196.12440	0.2
197.13231	1.0
199.11230	0.2
199.14777	2.4
201.12758	0.5
201.16356	2.9
203.14380	0.6
203.17902	2.8
205.12158	0.2
205.15866	0.4
205.19597	0.2
207.13742	0.2
207.17543	0.2
209.13240	0.5
211.14751	1.2
213.12924	0.3
213.16348	1.6
215.14314	0.5
215.17889	1.3
217.12349	0.3
217.15981	0.6
217.19434	1.3
219.13890	0.5
219.17494	0.4
221.13307	0.2
221.15329	0.1
221.18953	0.3
223.14839	0.4
225.16309	0.7
227.14294	0.4
227.17888	1.1
229.15878	0.6
229.19482	0.6
231.13771	0.5
231.17444	0.4
233.15385	0.7
233.19023	0.2
235.14861	0.2
235.16969	0.4
235.20555	0.1
237.16380	0.5
239.17941	0.6
241.15845	0.3
241.19482	0.7
243.17435	0.3
243.21155	0.4
245.15388	0.5
245.19096	0.3
247.16948	1.2
249.16292	0.1
249.18645	0.2
251.17953	0.3
253.19489	0.6
255.17365	0.3
255.21022	1.6
257.19040	0.4
259.16953	0.4
259.20694	0.4
261.18561	0.4
265.19614	0.2
267.17694	0.2
267.21130	0.5
269.18988	0.2
269.22635	0.6
271.20502	0.3
273.18689	0.3
273.22113	0.5
275.20126	0.3
279.21069	0.3
281.22610	0.2
283.20660	0.3
283.24274	0.2
285.19382	0.1
285.21936	0.7
287.20282	0.3
287.23575	0.3
289.21622	0.2
293.22729	0.2
295.20807	0.2
295.24176	0.2
297.22098	0.6
299.20212	0.3
299.23712	0.5
301.21564	0.7
301.24808	0.2
303.23196	0.4
307.24155	0.2
309.25861	0.3
311.23792	0.4
313.21765	0.2
313.25269	0.4
315.23126	2.0
315.26480	0.2
323.27328	0.2
325.25421	0.2
327.23166	0.3
329.24872	0.2
333.25745	0.3
339.23117	0.2
339.26813	0.3
351.26785	0.4
353.24530	0.2
367.26205	0.2
367.30084	0.2
369.27945	0.3
377.32227	0.3
393.31454	0.2
395.33115	1.7
409.34793	1.0
419.32990	1.4
437.34076	5.0
438.34692	0.2
455.35123	9.8
456.35648	0.4
473.36270	2.0
491.37457	0.2
617.40302	5.7
618.40869	0.2
635.41406	100.0
636.41772	4.2
653.42444	5.9
654.42999	0.3
815.47491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00469	0.7
67.05492	32.2
69.03420	6.5
69.07055	15.2
70.06560	0.7
71.01350	0.9
71.04983	4.8
71.07985	0.8
71.08337	1.1
73.02902	1.2
77.03903	0.5
79.05478	33.0
81.03402	55.9
81.07040	37.3
83.04961	7.5
83.08601	18.8
85.02893	6.0
85.06514	2.5
91.03924	2.3
91.05459	30.9
93.07025	29.9
95.01272	0.9
95.04951	25.9
95.08586	18.8
97.02875	6.3
97.06512	8.6
97.10143	15.4
97.10782	0.7
99.04445	1.3
99.08060	2.1
103.05444	1.1
105.07008	29.1
107.04932	11.0
107.08572	28.1
107.09321	1.0
109.02855	1.6
109.05817	0.7
109.06509	7.3
109.10137	12.8
111.04443	2.2
111.08073	5.9
113.09633	0.9
115.05431	1.4
117.07004	9.2
119.04929	1.0
119.08560	20.9
121.06456	6.4
121.10121	14.4
121.16285	0.5
123.04399	2.5
123.08070	4.3
123.11682	4.1
125.09603	15.2
127.03899	2.2
128.06194	2.0
129.05510	0.6
129.06981	10.1
130.07762	0.6
131.04930	1.0
131.08543	19.2
133.06488	4.8
133.10103	17.5
135.08012	5.4
135.11662	8.6
137.05959	0.6
137.09592	4.0
139.11142	0.8
141.06979	2.3
142.07767	2.2
143.08525	7.2
145.04994	0.9
145.06467	3.8
145.10092	14.3
145.89812	0.6
147.04349	1.3
147.08014	4.7
147.11659	14.8
149.05942	0.8
149.09595	12.0
149.13239	4.7
151.07510	0.8
151.11177	2.2
153.09113	2.2
155.08540	3.4
157.10107	10.9
159.08047	1.9
159.11664	8.7
161.09641	2.1
161.13264	4.2
163.05963	1.0
163.11163	7.1
165.09035	0.9
165.12749	1.6
167.08540	1.3
169.10066	3.0
171.08028	1.4
171.10275	1.0
171.11656	4.9
173.04404	1.7
173.09589	2.3
173.11679	1.8
173.13249	4.0
175.07469	0.6
175.11162	8.1
175.14748	0.9
177.12738	3.1
179.14261	1.1
181.10106	1.6
181.12164	0.7
183.11639	3.7
185.09610	1.5
185.13246	2.9
187.11127	2.9
187.13306	0.9
187.14810	0.9
189.05475	0.7
189.11197	8.0
189.12709	1.6
191.14285	0.8
193.12213	20.5
195.11806	1.4
195.13817	1.6
197.09601	0.9
197.13268	2.5
199.11211	1.2
199.13142	0.8
199.14803	1.0
201.12808	1.2
203.14316	1.0
205.12241	1.7
207.11685	0.6
207.13628	0.9
209.13359	1.3
211.11418	0.6
211.13261	2.2
213.16310	0.8
215.14313	0.9
217.15907	1.1
219.13692	1.1
221.15271	0.7
223.11267	0.7
223.13116	0.9
223.15051	0.8
225.12807	1.3
227.12689	15.4
227.14693	1.0
229.14214	6.2
229.19475	0.9
231.13733	1.4
233.15292	1.4
239.18050	1.2
245.13654	1.3
247.20540	0.9
249.14700	2.9
255.15746	5.7
257.15341	0.8
257.18948	2.9
259.13049	0.8
267.15860	61.8
268.16330	0.7
269.17441	14.1
273.14874	1.9
273.18402	1.4
275.20010	18.5
277.14450	0.8
279.20926	0.6
291.19482	2.9
293.17960	0.6
293.20929	2.7
295.20300	0.6
297.19153	0.6
297.22208	1.7
299.19980	3.3
301.14227	2.3
309.17102	1.3
313.21631	0.7
315.23193	1.3
317.21158	1.9
319.15475	1.1
329.20938	0.7
331.22699	1.9
337.21637	1.1
347.22073	0.8
349.23666	22.4
349.27942	1.4
351.23178	1.7
355.22641	1.6
363.22064	0.7
365.23386	0.7
367.24899	3.1
369.24194	1.6
373.23749	1.8
385.23782	1.1
387.25092	1.3
393.19180	0.7
403.24866	2.3
405.27051	0.8
419.24335	2.2
421.25784	9.0
429.26480	1.2
431.29245	1.9
435.27451	2.2
437.24927	2.9
443.27814	5.0
445.29764	1.3
447.27362	23.0
449.30524	4.2
459.27509	4.9
461.28922	67.0
462.29459	1.2
463.30875	0.8
465.28452	0.7
467.31372	3.9
473.29117	0.9
475.30536	1.0
477.28174	4.5
479.30069	1.9
485.32526	2.4
489.28363	1.1
491.29990	0.7
493.31650	8.4
501.32199	1.8
503.30261	1.1
511.28433	1.2
513.35541	1.1
523.33960	5.8
527.29858	0.8
531.36755	1.0
539.30353	0.9
541.35162	100.0
542.35461	1.9
545.30994	0.6
551.29626	0.8
557.30768	1.0
559.36230	41.9
563.28540	0.8
569.31030	2.5
573.38068	3.7
581.28912	0.9
583.36304	3.6
587.31744	3.9
591.39099	5.3
601.36804	1.1
602.65179	0.7
605.33008	2.4
607.36194	1.3
623.34082	1.1
644.41718	0.8
649.36969	2.9
667.38300	3.5
685.39197	2.3
703.40790	2.8
735.43872	0.6
807.93420	0.7
961.25140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	17.1
67.05829	0.7
69.03420	4.4
69.07062	10.6
69.07410	0.4
70.06549	0.5
70.67098	0.4
70.67451	0.8
71.04991	1.8
73.02869	0.7
77.03858	0.3
79.05481	13.8
79.05919	0.4
81.03404	36.1
81.07043	15.8
82.03682	0.5
82.07368	0.3
83.04964	4.1
83.08605	10.9
85.02883	2.2
85.06490	1.1
87.04401	0.4
91.03919	0.8
91.05466	15.6
93.07030	12.9
95.01285	0.4
95.04951	15.1
95.08588	7.7
97.02878	6.5
97.06522	2.7
97.09579	0.5
97.10151	7.9
98.20817	0.3
99.04423	0.4
99.08069	0.7
99.37222	0.3
103.05431	0.4
105.03376	0.4
105.07014	13.7
107.04935	6.1
107.08571	9.3
109.02849	0.6
109.06501	3.5
109.10138	8.4
111.04390	1.6
111.08067	4.0
113.74198	0.4
115.05402	1.2
116.06245	0.3
117.07008	4.5
119.04877	0.8
119.08564	12.7
121.06482	3.3
121.09362	0.5
121.10126	5.5
123.04372	0.9
123.08050	2.8
123.11644	1.3
125.05923	0.4
125.09605	7.3
127.03860	0.6
127.07484	0.3
128.06165	0.9
129.06984	5.6
131.08539	8.8
133.05669	0.3
133.06480	3.5
133.10107	10.4
135.08028	3.4
135.11685	2.8
137.05931	0.6
137.09587	2.1
139.11044	0.3
141.06883	0.4
142.07761	1.7
143.08549	2.2
143.10744	0.3
145.06430	0.9
145.10104	4.7
146.07138	0.4
147.04369	0.4
147.08047	4.6
147.11659	4.7
149.09605	4.0
149.13162	0.9
151.07458	0.4
151.11154	2.2
151.98268	0.2
153.09074	1.0
155.08521	0.7
157.10100	6.6
159.07994	0.9
159.11691	2.5
161.09579	2.7
161.13202	0.8
163.05986	0.4
163.11168	1.8
165.09084	0.7
165.12715	0.9
165.76703	0.4
169.10091	0.8
169.12204	0.8
171.08005	0.6
171.10236	0.4
171.11642	1.7
173.09534	1.1
173.11673	0.4
173.13213	1.0
175.11169	5.5
177.09059	0.4
177.12720	1.0
179.10661	0.6
181.10100	0.3
183.11681	0.5
185.09598	0.4
185.13274	0.6
187.11130	0.8
187.14848	0.5
189.05391	0.3
189.09361	0.6
189.11176	2.7
189.12669	0.5
191.10577	0.4
193.12209	10.1
195.07973	0.3
195.11647	0.5
195.13753	0.7
195.53661	0.3
199.11147	0.7
203.14290	0.3
205.12126	2.0
211.13213	1.3
213.12659	0.3
219.13783	2.7
223.13249	9.3
227.12679	4.3
227.17819	0.3
229.16101	0.3
231.13826	0.3
231.17268	0.3
233.15401	0.5
235.13171	0.4
237.16615	0.4
243.13660	0.4
245.13678	0.4
245.18990	1.0
249.14813	3.1
253.14281	6.8
255.17525	0.8
259.13315	0.3
259.20493	0.3
263.13626	0.3
263.20093	0.6
267.15869	51.8
268.16098	0.7
273.15146	0.6
273.18439	7.8
275.20120	0.3
285.16901	0.7
287.19937	1.0
291.19495	43.0
292.19800	1.1
297.18149	0.3
301.14392	0.9
309.16928	0.9
309.20526	0.7
313.21631	2.4
315.19812	0.3
333.20505	0.4
347.21979	2.0
365.23175	30.7
366.23526	0.9
367.22601	0.5
385.23645	1.3
389.23044	0.8
403.25122	0.3
419.24185	0.7
421.25809	0.7
429.27213	0.4
437.25146	0.6
441.26160	0.4
445.25751	6.0
447.28714	0.6
449.25458	0.6
459.27390	7.0
463.26874	2.8
463.32990	0.5
465.29871	1.3
477.28467	4.2
483.31195	1.6
519.29065	0.4
529.35211	0.7
539.33588	9.3
543.36932	0.9
557.34656	100.0
558.34827	3.7
575.35657	3.9
585.30096	0.7
589.37646	0.9
599.36060	2.1
607.37555	0.6
621.32086	0.4
653.36530	0.4
665.36957	1.0
683.37994	1.5
701.38507	0.7
719.39606	0.7
758.66467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	46.9
69.03413	6.8
69.07056	22.7
69.50307	1.9
69.50735	2.5
71.01328	0.9
71.04982	3.5
71.08618	24.2
73.02919	2.7
77.03878	0.6
78.98547	0.5
79.05476	27.6
81.03403	10.8
81.07040	60.7
82.07373	0.6
83.04961	8.7
83.08091	0.5
83.08601	19.8
85.02889	12.7
85.06517	2.6
85.10165	16.0
89.06026	1.2
91.03944	4.5
91.05457	24.3
93.07024	35.3
94.07340	0.5
95.04942	9.1
95.08588	37.9
97.02868	8.0
97.06510	9.0
97.10143	7.8
99.04467	2.1
99.08057	2.3
99.11734	0.8
101.05992	0.5
103.03948	0.6
103.05404	0.8
103.07555	0.9
104.06221	0.5
105.07010	19.5
107.04929	5.1
107.08571	21.4
109.02879	2.5
109.06477	5.0
109.09386	1.0
109.10136	17.7
111.04416	1.2
111.08067	4.6
111.11705	1.9
113.06014	0.5
113.09627	1.2
115.05442	0.8
117.07006	10.5
117.09119	0.5
119.04908	0.6
119.08562	15.1
121.06495	3.1
121.10122	12.2
123.04399	0.8
123.08041	3.6
123.11685	7.2
125.05942	0.7
125.09595	3.1
125.13306	0.4
127.03896	4.5
128.06227	0.7
129.05461	1.6
129.06981	3.0
130.07780	0.5
131.08539	11.9
133.06516	1.1
133.10100	14.3
135.08043	3.5
135.11665	11.6
137.09575	2.2
137.13235	2.0
139.07594	0.4
139.11137	0.7
141.06990	1.2
143.08537	3.3
145.04906	2.8
145.06396	1.1
145.10101	9.3
147.04344	0.5
147.08047	1.1
147.11644	6.3
149.09579	8.9
149.13223	9.5
151.07523	0.4
151.11128	1.9
151.80852	0.4
155.08546	1.8
157.10091	2.8
159.08113	0.6
159.11667	10.0
161.09607	0.8
161.13199	2.2
163.05988	1.9
163.07262	0.6
163.11151	6.8
165.09135	0.7
165.12753	0.8
169.10089	1.7
171.11636	2.6
171.23497	0.4
173.04431	3.5
173.09647	0.9
173.13258	2.8
175.11234	1.0
177.12715	3.8
179.14307	1.5
181.12202	0.8
183.11665	1.3
185.13339	1.0
187.11118	1.1
187.14847	0.5
189.11197	1.4
191.05481	0.5
193.12305	0.7
195.12166	0.6
195.13762	3.6
197.09430	0.4
197.13246	1.1
199.14847	0.8
205.12109	0.7
213.14772	0.8
215.17799	0.5
217.15907	1.8
219.13736	0.9
223.13179	0.7
227.12749	3.7
229.14279	1.0
229.19521	1.6
233.15355	0.7
233.19414	0.5
239.17856	2.1
239.23648	4.1
243.12219	0.6
247.20552	1.8
251.16373	0.7
253.14169	0.7
255.15834	14.4
257.18948	5.9
257.24728	1.8
261.14847	0.6
265.14801	0.5
267.15927	1.9
269.17413	38.0
270.17731	1.4
275.20010	21.8
276.20444	0.7
285.14688	0.6
291.19522	1.2
293.17654	0.9
293.21115	2.1
303.15744	0.7
309.20547	1.0
313.27304	90.5
314.27573	3.0
321.16501	0.5
321.24158	0.9
331.22604	3.0
339.18073	1.5
341.21152	0.5
341.26346	1.0
349.23663	28.9
350.23978	1.6
353.38089	0.5
367.24792	5.1
395.20474	0.7
409.33133	0.6
413.21637	3.8
467.37299	1.8
483.36682	0.9
486.32962	0.5
491.40625	1.0
493.27805	0.8
493.38815	21.4
494.39075	1.1
507.40384	100.0
508.40695	4.6
511.29053	0.8
523.40015	0.7
531.40167	1.1
547.43494	3.5
569.45294	1.0
573.41449	0.6
587.46600	44.1
588.47211	2.7
605.47687	14.7
606.48010	0.8
615.43292	0.5
627.41010	0.9
629.47662	0.7
633.44037	0.6
651.44647	3.1
669.45233	0.6
671.48376	0.6
731.50641	1.1
749.51959	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	963.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	4.4
69.07056	2.1
70.06537	0.6
71.01328	1.4
71.04608	0.8
71.04977	5.3
73.02904	13.2
74.34947	0.2
75.04411	0.2
77.03394	0.2
79.05476	3.6
81.03336	0.9
81.07040	10.6
81.07505	0.3
81.95105	0.2
83.04912	0.8
83.08605	1.5
84.04449	0.3
84.08080	0.3
85.02886	5.5
85.06517	1.3
86.03213	0.2
87.04425	0.5
91.05465	4.3
93.07020	9.5
95.04948	1.7
95.08586	10.9
96.08020	0.3
97.02875	2.6
97.06459	0.8
97.10097	1.0
99.08060	1.1
103.05409	0.4
105.07009	10.8
106.07312	0.2
107.04875	0.6
107.08568	13.0
108.07991	0.2
109.02775	0.5
109.06508	1.3
109.10131	11.9
110.10432	0.3
111.08075	1.6
111.11652	0.5
113.05972	0.3
113.09562	0.3
114.09101	0.6
115.03908	2.4
115.05364	0.5
117.03349	0.2
117.06981	1.6
119.04886	0.5
119.08557	12.9
120.08856	0.4
121.06477	1.1
121.10117	10.6
122.10381	0.4
123.04337	0.3
123.08031	1.3
123.11680	6.2
125.05956	0.3
125.09608	4.4
127.03815	1.1
127.07496	0.5
127.11162	3.2
129.05415	0.4
129.06932	0.9
130.07730	0.3
130.08618	0.4
131.08542	6.4
133.04912	0.3
133.10101	13.6
135.04330	0.4
135.08014	2.4
135.11668	6.3
137.05891	0.9
137.09572	1.3
137.13141	1.0
139.07535	0.4
139.11081	1.0
139.44893	0.3
141.06903	0.4
141.12712	1.3
142.07686	0.6
143.08566	2.8
143.09523	0.4
143.10655	4.6
145.02742	0.5
145.04874	0.3
145.06419	0.5
145.10094	9.4
146.10397	0.4
147.04431	1.3
147.07956	0.9
147.11649	8.9
149.09599	1.3
149.12126	0.3
149.13223	4.6
151.03795	0.5
151.07445	0.6
151.11162	1.3
151.14568	0.2
153.09003	0.3
153.12682	0.5
155.08466	0.9
156.09271	0.5
157.10091	5.1
158.10869	0.3
159.07947	1.1
159.11661	11.9
160.09618	0.3
161.09599	1.6
161.13228	8.8
163.03810	0.8
163.07458	0.5
163.11151	1.4
163.14792	1.8
165.09003	0.7
165.12653	0.6
167.06958	0.6
167.08292	0.2
169.10147	1.8
171.08000	0.3
171.11658	5.0
172.12256	0.4
173.09557	1.1
173.11880	0.4
173.13239	7.1
175.03813	0.3
175.11176	1.3
175.13388	0.3
175.14789	4.8
177.05473	1.1
177.09035	0.9
177.12735	1.2
177.16370	2.0
179.10559	0.9
179.14145	0.7
181.04823	0.3
181.08493	0.3
181.10027	0.8
181.12186	0.4
183.11652	1.7
185.09538	0.5
185.13229	3.6
187.11118	0.8
187.13231	0.4
187.14790	4.5
189.08966	0.3
189.12653	1.0
189.16328	2.7
191.10580	0.6
191.14241	0.8
191.18015	0.4
193.09999	0.3
193.12204	0.3
193.15739	0.4
195.11618	1.1
195.13622	0.3
197.09459	0.2
197.11870	0.2
197.13228	3.0
199.11150	0.6
199.14783	3.4
201.12636	0.7
201.16328	4.2
201.19200	0.3
203.10533	0.4
203.14252	1.2
203.17857	1.3
205.12265	0.4
205.15814	1.5
207.06482	0.6
207.13696	0.5
207.17250	0.4
209.13171	1.3
211.14787	2.8
213.12798	0.3
213.16368	3.5
215.14233	0.8
215.17920	2.1
217.12186	0.3
217.15776	0.8
219.13716	0.6
219.17377	1.0
221.13213	0.3
223.14661	0.8
225.16280	1.8
227.14291	0.6
227.17896	1.7
229.15781	0.8
229.19434	0.7
231.13716	0.6
231.17380	0.8
233.15260	0.9
233.18858	0.7
235.14777	0.4
235.16826	0.6
237.16272	0.7
239.17899	0.8
241.15848	0.5
241.19447	1.2
243.17366	0.6
245.15314	0.9
245.19016	0.2
247.16890	1.6
249.16252	0.5
249.18524	0.4
251.17888	0.9
253.19530	1.7
255.17409	0.8
255.21030	0.5
257.18994	0.6
259.20499	0.9
261.18420	0.7
265.19528	0.6
267.17422	0.4
267.20877	0.8
269.19092	0.5
269.22739	0.3
271.16843	0.6
271.20538	1.0
273.18420	1.6
273.22025	0.7
279.11209	0.3
279.20953	0.5
281.22586	0.5
283.20505	0.7
285.18552	0.4
285.22098	0.7
291.20853	0.4
293.22498	0.4
295.20453	0.5
297.22052	0.6
299.20145	0.4
299.23621	0.5
301.21698	1.3
307.24084	0.6
309.22049	0.3
311.20081	0.3
311.23499	0.6
313.21619	1.3
315.23166	0.6
318.78137	0.2
325.25241	0.4
327.23090	0.6
329.20935	0.3
331.22867	0.4
335.27335	0.3
337.25027	0.4
339.26703	0.3
349.25162	0.5
351.26974	0.4
353.24628	0.4
353.28149	1.2
355.26294	0.6
365.28259	0.3
367.26129	0.6
367.30106	0.6
377.28183	1.1
381.31522	0.4
383.29324	0.3
385.27509	0.3
393.31430	1.5
395.29214	2.9
405.31479	0.9
407.32785	0.8
411.32486	0.3
413.30399	2.4
417.31299	0.8
423.32532	2.0
425.34064	0.3
435.32529	3.4
441.33655	1.4
453.33554	6.8
455.35223	0.5
456.35635	0.4
457.35730	0.3
459.34763	0.3
471.34647	9.5
473.36276	0.9
474.36472	0.4
489.35672	43.6
490.35980	1.6
507.36728	5.7
603.38873	5.2
619.39435	0.3
621.39850	100.0
622.40002	3.5
637.40918	0.5
639.40900	12.1
669.42499	1.1
765.46490	0.4
782.46619	0.4
783.47369	1.1
801.47192	0.5
961.65405	0.3
963.50739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68317	0.4
67.04758	1.3
67.05165	5.4
67.05456	17.7
69.03418	6.9
69.07057	20.0
69.60397	1.0
69.60817	3.1
69.95786	0.4
71.04946	0.8
71.08619	14.5
71.47655	0.4
73.02875	1.6
79.05483	11.8
81.03414	3.7
81.07042	18.8
82.07372	0.4
82.80071	0.4
83.04955	2.5
83.08608	10.2
85.02890	4.1
85.06492	1.1
85.10174	7.4
89.05994	0.9
91.03928	2.5
91.04385	0.4
91.05463	8.6
93.07033	10.2
95.04958	4.8
95.08593	15.5
96.04517	0.4
97.02323	0.6
97.02878	8.6
97.06474	1.8
97.10158	11.9
98.20675	0.6
105.03340	0.5
105.06337	0.4
105.07016	7.2
107.04956	4.6
107.07906	0.6
107.08575	8.2
108.48364	0.4
109.02810	0.8
109.06461	1.6
109.10139	9.0
111.08012	1.7
111.11671	0.7
115.05331	0.5
117.06998	5.2
119.04901	0.9
119.08559	7.8
121.06453	2.0
121.10141	3.5
123.04345	0.5
123.08054	2.4
123.11684	2.8
125.08812	0.5
125.09614	6.7
126.95487	0.5
127.03876	1.0
128.06155	0.5
129.06990	2.4
131.08545	5.6
133.06456	2.0
133.10120	3.5
134.07214	0.8
135.08043	2.0
135.11626	2.0
137.09558	1.5
143.08548	2.1
143.10590	0.4
145.04883	0.8
145.06393	0.6
145.10078	3.6
147.08046	4.2
147.11668	2.4
149.09563	1.3
149.13203	1.1
151.11188	0.5
153.09108	0.7
156.09360	0.4
157.10059	1.9
159.11642	1.8
161.09612	2.4
162.10391	0.5
163.11153	1.1
165.09055	1.2
169.10074	0.6
169.12219	0.6
171.11667	0.9
173.09602	0.5
173.11667	0.5
175.11116	1.6
177.12677	0.9
179.10767	0.7
183.11455	0.4
185.13203	0.7
189.11162	2.2
189.12683	0.6
193.12199	1.5
195.11740	0.5
195.13666	0.7
205.12164	1.5
211.13290	0.6
223.13271	16.3
227.12752	4.2
239.23695	1.7
245.18962	1.0
247.16940	0.6
249.14873	3.1
257.24664	1.1
267.15839	1.5
273.18448	10.8
283.15436	0.5
290.11404	0.5
291.19504	80.0
292.19852	2.4
309.20673	0.5
313.27313	68.0
314.27505	2.0
341.26904	0.5
347.22168	2.0
365.23172	61.6
366.23572	2.6
435.24011	0.6
505.38916	1.2
523.39899	5.8
585.45215	2.1
603.46094	100.0
604.46344	6.4
621.46735	0.6
765.51666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05432	3.6
69.07054	3.1
69.61451	2.0
70.06545	0.2
70.43333	0.2
71.01299	0.6
71.04610	0.9
71.04983	4.8
73.02903	11.6
73.03292	0.5
73.06469	0.3
77.03869	0.3
79.05474	3.5
81.03342	0.7
81.07038	9.5
81.07473	0.3
83.04900	0.8
83.08607	1.4
85.02887	4.8
85.06519	1.1
86.03162	0.3
87.04386	0.6
91.05455	4.4
93.07023	9.0
94.07285	0.3
95.04955	1.2
95.08588	10.2
96.08852	0.3
97.02876	2.4
97.06442	0.8
97.10155	1.1
99.04350	0.5
99.08065	1.1
105.07008	9.6
107.04871	0.4
107.08569	13.4
109.02800	0.5
109.06490	1.4
109.10133	10.7
110.10394	0.3
111.04321	0.5
111.08060	1.8
113.09573	0.3
114.09086	0.5
115.03925	2.0
115.05312	0.3
117.06990	1.8
119.04874	0.3
119.08556	12.0
120.08857	0.3
121.06469	1.3
121.10118	10.3
122.04764	0.2
122.05961	0.2
123.08059	1.1
123.11679	5.8
125.09600	4.5
127.03810	0.7
127.07488	0.3
127.10356	0.2
127.11153	3.3
129.05365	0.6
129.06958	1.0
130.08548	0.2
131.08537	5.6
133.04910	0.5
133.06375	0.4
133.10101	12.5
135.08035	1.9
135.11659	5.5
137.05917	0.7
137.09592	0.9
137.13141	0.8
139.07544	0.3
139.11169	1.1
139.12064	0.2
141.06883	0.3
141.12746	1.3
142.07684	0.3
143.08540	2.6
143.10643	5.7
144.59645	0.2
145.04996	0.2
145.10098	10.9
145.94612	0.3
147.04297	0.8
147.08037	1.0
147.11652	8.2
149.09601	2.0
149.13229	5.2
151.03860	0.3
151.07431	0.6
151.11176	1.1
153.12625	0.7
155.08449	0.8
155.10562	0.3
156.09245	0.6
157.06345	0.2
157.08844	0.3
157.10081	4.6
158.10741	0.5
158.68152	0.2
159.07967	0.8
159.11661	10.5
161.09584	1.8
161.13225	7.2
163.03856	0.5
163.07521	0.5
163.11104	1.1
163.14751	1.8
165.09013	0.5
165.12621	0.6
167.07022	0.4
167.10695	0.3
167.14230	0.4
169.10097	1.5
170.10895	0.3
171.07822	0.2
171.11652	3.9
172.12251	0.3
173.09532	0.8
173.13229	7.5
174.13412	0.2
175.11151	1.1
175.13374	0.3
175.14783	4.2
177.05403	0.8
177.09021	0.4
177.12708	1.3
177.16301	1.8
179.10562	0.7
179.14217	0.6
181.10031	0.6
183.11642	2.4
184.12457	0.2
185.09612	0.2
185.11743	0.3
185.13228	4.0
187.11057	0.6
187.14786	4.8
187.16386	0.2
189.09007	0.3
189.12573	0.8
189.16365	2.6
191.10649	0.7
191.14297	1.0
191.17892	0.4
193.12025	0.4
193.15781	0.2
195.11685	1.2
196.12393	0.3
197.13194	2.2
199.11075	0.4
199.14787	3.3
201.12643	0.6
201.16338	4.1
203.10483	0.4
203.14226	0.6
203.16162	0.2
203.17816	1.2
205.12109	0.4
205.15852	1.6
207.06467	0.5
207.11684	0.2
207.13731	0.3
207.17276	0.4
209.13203	1.4
211.11223	0.4
211.14764	2.6
213.12685	0.6
213.16336	3.3
215.14188	0.7
215.17894	2.3
217.15825	1.1
217.19513	0.2
219.13718	0.6
219.17450	1.2
221.13196	0.4
221.15245	0.3
222.13994	0.2
223.14830	1.2
224.41133	0.2
225.16400	1.3
227.14270	0.5
227.17897	1.5
229.12123	0.3
229.15747	0.8
229.19444	0.4
231.13745	0.6
231.17357	0.7
233.15329	1.0
233.18869	0.4
235.14679	0.5
235.16856	0.4
237.16273	0.8
239.14214	0.5
239.17946	0.9
241.15816	0.5
241.19492	0.9
243.17334	0.7
245.15276	0.6
245.18953	0.5
247.16891	1.6
249.16335	0.5
251.17821	0.8
253.19525	1.4
255.17320	0.6
255.20985	0.5
257.18918	0.4
259.16840	0.2
259.20453	0.4
261.18491	0.5
265.19385	0.8
267.17505	0.3
267.20981	0.9
269.18854	0.6
271.17023	0.4
271.20496	0.7
273.18439	1.3
273.22095	0.5
275.20209	0.4
277.19327	0.4
279.21033	0.3
281.18729	0.3
281.22446	0.3
283.20471	0.7
285.18921	0.3
285.21985	1.1
287.20047	0.4
291.20944	0.7
293.22458	0.4
295.20584	0.5
297.22003	0.6
301.21420	1.3
301.24380	0.2
303.22995	0.2
305.22537	0.5
307.20102	0.2
307.24033	0.6
309.21942	0.6
311.20251	0.2
311.23672	0.4
313.21579	1.5
315.23062	0.5
323.23685	0.3
325.25110	0.5
327.23019	0.6
331.23157	0.4
335.27341	0.2
337.25000	0.4
339.26819	0.2
341.24771	0.3
349.25125	0.6
351.26712	0.5
353.24521	0.4
353.28406	1.2
355.25961	0.3
365.28403	0.3
367.26041	0.6
367.30075	0.7
377.28333	1.1
381.31558	0.5
383.13977	0.2
383.29266	0.3
393.31726	1.0
395.29266	2.9
395.33572	0.3
405.31268	0.7
406.32144	0.2
407.32916	0.6
411.32663	0.4
413.30423	2.1
417.31247	0.8
423.32663	1.7
425.34134	0.4
435.32584	3.3
441.33762	1.8
453.33551	6.7
454.34491	0.2
455.35074	0.6
456.35263	0.4
457.35745	0.3
471.34598	9.6
472.34982	0.3
473.36035	0.6
474.36530	0.7
475.36481	0.4
487.33774	0.2
489.35675	43.7
490.36011	1.6
507.36783	6.1
507.44281	0.3
508.37271	0.3
561.66962	0.2
603.29797	0.3
603.38904	5.1
604.39508	0.3
619.40363	0.2
621.39856	100.0
622.40289	5.1
635.41455	0.3
636.40912	0.3
637.42584	0.4
639.40930	13.3
640.41412	0.5
669.42432	1.0
782.47693	0.5
783.47766	1.4
801.46173	0.7
925.14490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04758	1.3
67.05162	5.7
67.05450	16.2
69.03418	4.5
69.07056	14.9
71.04965	1.1
71.08615	13.8
73.02870	0.8
79.05478	12.1
81.03407	4.2
81.07040	17.4
83.04964	2.6
83.08609	9.8
85.02460	0.4
85.02888	4.5
85.06473	0.7
85.10164	8.6
91.03926	2.3
91.05461	7.7
93.07027	9.6
95.01248	1.0
95.04957	5.5
95.08017	0.8
95.08591	16.1
95.10168	0.5
97.02874	6.9
97.06481	2.2
97.10152	9.4
98.21423	1.4
103.07507	0.6
105.07017	6.3
107.02425	0.4
107.04929	4.1
107.07910	0.5
107.08570	7.0
109.06466	2.0
109.10137	8.3
111.04395	0.7
111.07998	1.0
111.11707	0.5
111.56359	0.5
113.71856	0.5
115.05277	0.6
117.06996	3.1
119.04839	1.1
119.08546	6.4
121.06419	1.6
121.10148	3.4
123.04314	0.8
123.08022	2.0
123.11707	2.4
125.09602	5.3
127.03887	0.7
128.06175	0.9
129.06921	1.9
131.08539	4.5
133.06441	1.4
133.10126	2.9
134.07182	0.7
134.43806	0.5
135.08023	2.6
135.11618	1.6
137.09575	0.9
137.13229	0.7
141.06921	0.5
143.08537	2.4
145.04926	0.7
145.10110	3.3
147.08040	4.0
147.11578	1.8
149.09517	1.4
149.13214	1.0
151.11171	1.0
153.09050	0.7
157.10081	1.6
159.07999	0.6
159.11606	2.2
161.09560	1.9
163.11105	1.6
165.09081	1.0
171.11642	1.0
173.09529	0.6
175.11089	1.3
177.12688	1.4
185.13226	0.7
187.13275	0.5
189.11168	1.8
193.12119	1.3
195.11754	0.6
205.12178	1.2
211.13269	0.8
223.13258	9.4
227.12741	3.0
229.98358	0.7
239.23625	1.4
245.18922	1.1
249.14748	2.2
253.14307	0.7
255.17374	1.0
257.24731	0.9
267.15799	1.2
273.18430	10.2
291.19489	58.9
292.19897	2.3
298.27591	0.5
308.16235	0.5
313.27304	66.9
314.27667	2.6
347.22128	2.8
365.23175	44.5
366.23230	2.4
483.36578	1.0
505.38861	1.8
523.39850	5.3
535.39612	0.7
585.45154	5.2
603.46082	100.0
604.46497	7.5
621.46808	1.2
744.77393	0.6
747.50446	0.8
765.50775	1.0
885.04077	0.6
962.58423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5357
Annotation	Notoginsenoside G
Peak:m/z	Relative Intensity
67.05492	7.7
69.03421	8.0
69.06721	0.6
69.07061	6.2
70.06568	0.5
71.01351	1.0
71.04980	59.3
71.08603	0.6
72.05302	0.5
73.02897	3.7
73.06540	0.5
75.04468	5.9
79.05478	5.0
81.03406	4.2
81.07039	16.0
83.04966	14.1
83.08602	3.9
85.02890	100.0
85.06538	1.5
86.03246	1.1
86.09683	0.4
87.04454	2.8
91.03905	0.4
91.05470	7.8
93.07029	16.1
95.04965	2.6
95.08590	25.0
96.08922	0.4
97.02879	7.9
97.06500	1.9
97.10143	2.8
99.04433	3.1
99.08060	1.6
101.05994	1.2
103.03986	0.8
103.05462	0.5
105.07009	13.9
107.04971	0.5
107.08573	24.7
108.08920	0.4
109.02871	2.5
109.06499	2.4
109.10139	24.4
110.10401	0.4
111.04433	7.1
111.08061	0.7
111.11739	0.7
113.05968	0.7
113.09629	0.4
114.09144	0.4
115.03905	0.4
115.05370	0.4
117.05493	1.3
117.06992	3.2
118.38218	0.4
118.97851	0.4
119.04923	0.6
119.08558	18.9
121.06475	1.9
121.10123	21.4
122.10469	0.6
123.04411	0.8
123.08057	2.4
123.11683	17.0
124.12038	0.4
125.05949	0.6
125.09597	5.8
127.03897	6.1
127.07501	0.6
127.11163	5.2
128.06143	0.4
129.05453	26.4
129.07025	1.2
130.07748	0.4
131.08545	5.7
133.06450	0.5
133.10106	19.2
134.10475	0.8
135.04385	0.4
135.08070	3.1
135.11671	20.1
136.11998	0.6
137.05974	1.3
137.09581	2.9
137.13237	8.2
139.03886	0.4
139.07549	0.7
139.11188	1.6
141.07005	0.6
141.12711	2.0
143.08554	4.1
143.10638	6.9
143.11707	0.6
144.09319	0.8
145.02849	0.6
145.04956	2.6
145.06450	0.6
145.10095	11.0
145.11188	0.7
147.04388	1.6
147.06514	8.0
147.08031	1.5
147.11662	12.5
147.12846	0.6
148.11995	0.5
149.05966	0.4
149.09575	2.7
149.13229	8.9
151.03873	0.8
151.07469	0.7
151.11156	0.9
151.14777	1.1
153.05473	0.4
153.09090	0.9
153.12761	1.1
155.08525	1.4
156.09354	0.5
157.10110	6.8
157.11368	0.5
158.10844	0.4
159.08022	0.9
159.10349	0.6
159.11671	11.2
160.12201	0.5
161.09599	2.7
161.13223	9.4
163.05997	1.8
163.07568	1.0
163.11195	1.2
163.14798	4.8
165.09105	0.7
165.12769	0.9
167.07114	0.4
167.10571	0.4
167.14235	0.6
169.04991	0.3
169.10069	2.3
170.10915	0.7
171.06491	0.5
171.11665	6.1
172.12242	0.3
173.09601	1.5
173.13232	8.2
174.13730	0.4
175.11203	1.5
175.14807	5.2
177.05453	0.9
177.09103	0.9
177.12759	1.0
177.16373	3.3
179.10692	1.1
179.14246	1.1
181.04907	0.5
181.10080	0.6
183.11662	3.0
185.09622	0.5
185.13242	5.0
187.11191	1.0
187.14783	6.8
189.09264	0.5
189.12746	1.6
189.16357	6.7
191.10696	1.1
191.14333	1.7
191.17897	4.9
193.12250	1.0
195.11684	1.1
197.13190	2.6
199.14783	4.3
201.12714	1.3
201.16342	6.9
201.18086	0.5
203.14345	1.1
203.17944	6.1
205.12219	0.7
205.15894	1.1
205.19545	0.7
207.06572	0.5
207.13765	0.5
209.13246	1.5
211.14801	2.8
213.07452	0.4
213.12749	1.0
213.16322	3.6
215.14403	1.0
215.17912	2.9
217.15880	1.2
217.19495	2.4
219.13853	1.3
219.17429	0.7
223.14888	1.4
225.16368	1.6
227.14294	1.1
227.17870	2.2
229.15886	1.5
229.19524	1.1
229.87717	0.4
231.13817	1.1
231.17493	0.8
233.15416	1.7
235.14719	0.5
235.16968	0.8
237.16379	1.6
239.17924	1.1
241.15869	0.8
241.19518	2.3
243.17403	0.9
243.21207	0.5
245.15335	1.6
245.19058	0.9
247.16867	2.9
249.18555	0.8
251.17891	0.8
253.19518	1.2
255.08673	1.2
255.17186	0.4
255.21039	3.1
257.18997	0.9
259.16986	0.6
259.20679	1.3
261.18442	0.7
263.16287	0.4
267.21210	1.1
269.19046	0.6
269.22659	1.1
271.17084	0.3
271.20505	0.7
273.09631	0.4
273.18634	0.9
273.22144	1.2
275.20129	0.6
279.21106	1.2
281.22537	0.6
283.20706	0.8
283.23843	0.4
285.21979	0.8
287.20120	0.5
287.23550	0.6
291.10776	0.5
293.22687	0.7
295.20828	0.6
295.24243	0.4
297.22195	1.7
299.23593	0.5
301.21567	1.5
303.23166	0.7
309.11874	1.0
309.22354	0.4
309.25766	1.2
311.20297	0.4
311.23834	1.1
313.21774	0.7
313.25125	0.6
315.23184	4.8
319.22751	0.5
323.27261	0.5
325.13889	0.4
327.23090	0.4
329.24854	0.6
339.26898	0.8
341.28638	0.5
349.28622	0.5
351.26791	1.5
367.26035	0.4
367.30057	0.5
369.27853	1.3
377.32193	0.8
383.29297	1.0
391.33536	0.5
393.31418	0.6
395.33127	3.3
401.32095	0.4
407.33044	0.7
409.34644	2.4
413.34103	0.5
419.33005	3.9
435.32846	0.4
437.34085	19.2
438.34454	1.6
453.33029	0.8
454.13382	0.4
454.34082	0.5
455.35138	54.3
456.35431	4.3
471.34583	1.6
472.34955	0.4
473.36191	67.7
474.36459	3.6
489.35764	1.7
490.35733	0.5
491.37006	1.5
551.33356	0.4
617.40369	3.9
618.40485	0.6
619.41901	1.4
635.41418	54.3
636.41693	4.5
651.40393	0.5
653.41937	0.9
763.46088	7.0
764.46124	0.5
779.45380	1.0
781.47168	60.7
782.47339	6.5
797.46112	1.4
798.46606	0.7
852.21631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5344
Annotation	Notoginsenoside G
Peak:m/z	Relative Intensity
67.05492	7.0
68.24402	0.2
69.03412	7.5
69.07051	6.9
70.06559	0.3
71.01346	1.5
71.04977	59.9
71.08613	0.4
71.79778	0.4
72.05305	0.7
73.02905	4.7
73.06547	0.4
74.09677	0.3
75.04461	6.2
79.05476	5.5
81.03397	2.9
81.07037	16.1
82.07365	0.2
83.04964	14.1
83.08603	3.7
85.02886	100.0
85.06525	1.5
86.03221	1.0
86.06022	0.3
87.04454	2.7
91.03931	0.5
91.05457	6.6
93.07024	14.1
94.07384	0.3
95.04949	2.7
95.08585	24.7
96.08895	0.3
97.02872	8.5
97.06484	1.6
97.10146	2.4
99.04440	3.2
99.08064	1.6
101.06006	0.9
103.03914	0.9
103.05472	0.6
105.07005	12.4
106.07310	0.3
107.04951	1.1
107.08569	23.0
108.08906	0.4
109.02854	2.4
109.06505	1.7
109.10131	22.8
110.10432	0.4
111.03642	0.4
111.04418	7.1
111.08053	0.7
111.11704	1.0
112.04715	0.3
113.05972	0.4
113.09665	0.5
114.09123	0.4
117.05486	2.4
117.06989	2.4
117.13697	0.3
119.04911	0.3
119.08555	17.3
120.08961	0.3
121.06488	1.9
121.10118	20.0
122.10479	0.4
123.04424	0.6
123.08052	2.3
123.11678	14.2
125.05970	0.9
125.09599	6.5
127.03895	5.4
127.07542	0.7
127.11176	4.8
128.06203	0.5
129.05450	26.9
129.07039	1.0
130.05788	0.4
130.08614	0.6
131.08533	6.4
133.06497	0.5
133.10100	18.9
134.10390	0.4
135.04347	0.4
135.08026	3.0
135.11662	16.7
137.05884	1.5
137.09605	2.0
137.13219	7.0
139.03893	0.8
139.07533	0.5
139.11137	1.4
141.06894	0.5
141.09088	0.8
141.12704	2.2
142.07767	0.7
143.08553	4.7
143.10638	9.9
144.09349	0.3
145.02881	0.5
145.04929	3.1
145.06508	0.4
145.10094	11.2
146.10701	0.4
147.04437	0.9
147.06519	7.4
147.08031	1.6
147.11650	11.4
148.12039	0.3
149.09615	2.1
149.13223	8.2
151.03883	0.4
151.07526	0.6
151.11232	0.8
151.14818	0.8
153.05478	0.3
153.09122	0.3
153.12691	1.5
155.08557	0.9
155.10524	0.3
155.14302	0.3
156.09241	0.5
157.10101	6.0
158.10876	0.6
159.08023	1.0
159.10266	0.8
159.11646	10.6
160.12282	0.3
161.09583	2.8
161.13223	8.5
162.13560	0.5
163.03896	0.8
163.06032	1.7
163.07542	0.9
163.11214	1.1
163.14783	4.0
165.09157	0.7
165.12746	0.5
165.16356	0.3
167.07103	0.5
167.08508	0.4
167.10745	0.5
167.14333	0.6
169.04927	0.5
169.10106	2.5
170.10889	0.5
171.06595	0.3
171.11652	6.0
171.13016	0.4
172.12337	0.5
173.09668	1.5
173.13222	8.0
175.11189	1.6
175.14795	4.9
177.05411	1.3
177.09125	0.8
177.12776	1.1
177.16342	3.4
179.10681	1.1
179.14310	1.1
180.09296	0.3
181.04967	0.4
181.10092	0.6
181.12265	0.3
183.11639	2.4
185.09605	0.4
185.13216	4.9
185.14702	0.4
187.11198	1.5
187.14775	6.6
189.12769	1.2
189.16348	6.8
191.10648	0.8
191.14349	1.0
191.17917	5.1
192.18239	0.3
193.12193	0.6
193.15826	0.4
195.11711	1.1
195.13550	0.3
196.12500	0.3
197.13226	2.6
199.11259	0.4
199.14806	4.0
201.12755	0.7
201.16344	6.7
201.18076	0.4
203.14291	1.0
203.17911	5.6
205.12190	0.6
205.15880	1.0
205.19479	0.4
207.06520	0.5
207.11920	0.4
207.13779	0.6
209.13289	1.0
209.15266	0.3
211.14771	1.6
213.07614	0.3
213.12782	1.0
213.16299	3.1
215.14400	1.5
215.17928	2.2
217.12320	0.6
217.15912	1.1
217.19490	2.0
219.13843	1.3
219.17441	0.9
221.13290	0.4
221.15269	0.5
223.14825	1.2
225.12907	0.4
225.16339	1.8
227.09088	0.4
227.14352	1.0
227.17851	2.0
229.15794	1.5
229.19513	1.1
231.13844	0.7
231.17400	0.6
233.15265	1.3
233.19012	0.5
235.14853	0.6
235.16954	0.7
237.07564	0.5
237.16428	0.8
239.14148	0.3
239.18004	0.9
241.15955	0.7
241.19453	1.8
243.17346	0.5
243.21179	0.7
245.15315	1.3
245.19083	0.5
247.16917	2.9
249.18666	0.6
251.18143	0.5
253.19478	1.5
255.08710	1.2
255.17441	0.6
255.21085	2.8
257.15158	0.3
257.19046	1.0
259.17017	0.7
259.20538	1.0
261.18585	0.6
267.21103	0.9
269.19238	0.4
269.22690	1.4
271.16898	0.5
271.20612	0.7
273.09674	0.9
273.18506	0.7
273.22079	1.0
275.20184	0.5
279.21011	1.1
281.19290	0.3
281.22543	0.4
283.20575	0.7
283.24185	0.3
285.18521	0.6
285.22110	0.8
287.20032	0.4
287.23657	0.3
291.10745	0.4
291.21069	0.5
293.22653	0.6
295.20569	0.3
295.24167	0.4
297.22165	0.9
299.20148	0.5
299.23608	0.6
301.21616	1.0
303.23099	0.3
307.24268	0.3
309.11804	1.1
309.22510	0.4
309.25821	1.0
311.23734	1.0
313.21643	0.7
315.23108	4.1
317.24686	0.3
323.23837	0.3
323.27408	0.5
325.25235	0.4
327.23160	0.4
329.24799	0.4
331.22711	0.3
333.25565	0.6
339.26862	0.8
341.24548	0.4
345.24442	0.4
349.28885	0.5
351.26880	1.1
353.24667	0.4
367.25949	0.4
369.27988	1.1
377.32156	0.4
385.31195	0.3
391.33572	0.3
393.31772	0.3
395.28644	0.4
395.33109	4.2
407.33487	0.3
409.34634	2.4
419.32990	4.1
425.34119	0.3
427.35599	0.3
437.34085	18.0
438.34552	1.0
453.33810	0.4
455.35120	57.1
456.35434	2.9
471.34857	0.6
473.36176	69.2
474.36578	3.4
489.35739	0.5
490.36237	0.6
491.37280	1.8
617.40344	1.8
619.38580	0.7
635.41431	40.0
636.41644	2.2
653.42456	1.1
751.46448	0.3
763.46149	8.9
764.46747	0.7
781.47137	93.6
782.47406	7.3
799.48291	0.8
943.52496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5349
Annotation	Notoginsenoside G
Peak:m/z	Relative Intensity
67.05492	7.0
67.43414	0.4
69.03418	7.7
69.07057	5.9
71.01338	1.0
71.04978	59.4
71.08624	0.4
71.59207	0.7
72.05314	0.6
73.02899	4.2
73.06537	0.8
75.04462	5.1
77.03899	0.4
79.05475	5.0
80.99116	0.3
81.03409	2.6
81.07040	15.0
83.04963	11.8
83.08598	3.4
85.02888	94.8
85.06510	1.5
86.03239	0.6
87.04447	2.5
91.03941	0.6
91.05459	7.2
93.07026	13.6
95.04993	1.9
95.08587	21.2
97.02874	7.6
97.06512	1.2
97.10146	2.1
99.04433	3.4
99.08087	1.8
99.08610	0.3
101.02370	0.3
101.06015	1.0
103.03944	0.9
103.05450	0.4
105.04540	0.4
105.07015	11.4
107.04943	0.5
107.08574	21.0
109.02865	2.0
109.06474	1.6
109.10136	20.2
110.10453	0.4
111.04424	7.2
111.08097	0.9
111.11717	0.7
113.05959	0.5
113.09621	0.5
117.05495	1.8
117.06971	2.1
119.08559	17.7
121.06503	1.3
121.10119	18.6
122.10449	0.3
123.08060	1.1
123.11684	13.4
125.05952	0.5
125.09612	6.1
126.66923	0.3
127.03893	4.4
127.07535	0.4
127.11174	5.0
128.06157	0.5
129.05455	25.8
129.07016	1.2
130.05835	0.4
131.08542	5.1
133.06506	0.7
133.10109	16.8
135.08044	2.4
135.11668	15.9
137.05969	0.6
137.09639	1.1
137.13225	7.9
139.07494	0.7
139.11169	1.5
141.06999	0.4
141.12735	1.6
142.07738	0.7
143.08553	4.1
143.10643	11.2
144.09315	0.6
145.04948	2.2
145.06187	0.3
145.10101	10.6
147.05330	0.4
147.06511	8.1
147.08017	1.8
147.11661	11.5
149.09618	2.2
149.13226	6.8
151.03870	0.5
151.07533	0.4
151.11191	0.8
151.14815	0.6
153.09093	0.5
153.12703	1.0
155.08560	1.3
156.09290	0.8
157.10103	5.1
158.10852	0.7
159.08057	1.0
159.11667	10.1
159.12920	0.6
160.12215	0.5
161.09631	2.6
161.13232	8.1
162.13548	0.4
163.06017	1.7
163.07545	0.9
163.11143	0.6
163.14781	3.7
165.09106	0.7
167.10707	0.4
169.10056	1.7
171.06448	0.5
171.11664	5.1
172.12477	0.5
172.49268	0.3
173.09674	0.8
173.13229	7.7
173.14726	0.4
174.13779	0.5
175.11194	1.1
175.14807	4.9
177.09222	0.4
177.12769	0.8
177.16373	3.0
179.10670	0.9
179.14310	0.7
181.04909	0.4
181.10063	0.5
182.82678	0.3
183.11687	2.0
184.12418	0.4
185.09654	0.8
185.13235	4.5
187.11226	1.0
187.14792	6.9
188.15225	0.5
189.12744	1.0
189.16365	5.8
191.10660	1.0
191.14297	0.5
191.17909	4.8
193.12309	0.6
195.11755	0.9
197.13242	2.7
199.11024	0.5
199.14780	4.2
201.12733	1.6
201.16347	5.9
201.18114	0.5
203.14317	1.1
203.17914	5.1
203.19637	0.6
205.12167	0.6
205.15884	0.8
205.19470	0.5
207.11847	0.5
207.13777	0.7
208.12547	0.4
209.13303	0.8
211.14771	2.1
212.15529	0.4
213.12837	0.4
213.16318	2.7
213.65524	0.3
215.14316	1.4
215.17906	2.3
217.12350	0.4
217.15886	1.1
217.19461	2.0
219.13837	1.2
219.17361	0.5
221.15340	0.7
223.14809	1.2
225.16371	1.7
226.20084	0.4
227.14328	1.1
227.17860	2.1
229.15884	1.4
229.19579	1.1
231.13823	0.9
231.17520	1.0
233.15367	1.2
235.16905	0.4
237.16399	0.8
239.17876	0.7
241.15912	0.8
241.19505	1.5
243.17520	0.7
243.21231	0.4
245.15402	1.3
245.19026	0.8
247.16904	3.1
249.18704	0.5
251.18024	0.8
253.19563	0.9
255.08728	1.0
255.21082	2.9
257.18958	0.9
259.20663	1.0
261.18591	0.6
265.19711	0.4
267.21017	1.0
269.18839	0.4
269.22653	1.2
271.16779	0.4
271.20660	0.5
273.09735	0.8
273.18506	0.4
273.22165	1.0
275.20294	0.5
279.20990	0.7
281.22690	0.7
283.20563	0.8
285.21979	0.8
287.20163	0.7
295.23868	0.4
297.22162	1.1
297.25394	0.4
299.23502	0.6
301.21640	0.9
303.23425	0.6
309.11755	0.8
309.25748	0.6
311.23639	0.6
313.21866	0.6
315.23215	4.0
323.23761	0.4
327.23264	0.5
329.24789	0.5
333.25534	0.4
339.26700	0.5
351.26810	1.2
359.10318	0.3
364.98053	0.3
367.26093	0.5
369.27945	0.8
377.32135	0.5
385.30811	0.4
391.34222	0.3
395.33051	4.0
409.34814	2.1
419.33005	3.6
437.34052	16.7
438.34372	1.1
439.35605	0.7
455.35135	55.9
456.35428	3.0
473.36194	64.0
474.36475	4.1
489.35736	0.5
491.37512	0.9
617.40167	1.6
635.41455	36.8
636.41638	3.2
637.42322	0.5
651.41327	1.0
653.42511	0.8
763.32690	0.7
763.45941	7.7
764.46271	0.5
765.47791	3.0
771.57208	0.4
781.47162	100.0
782.47504	8.5
799.47913	1.1
914.20990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	6.7
69.03072	0.4
69.03416	4.4
69.06680	0.3
69.07052	5.9
70.06529	0.5
71.01337	1.2
71.04977	61.4
71.08615	0.4
72.05309	0.4
73.02897	2.9
73.06541	0.7
74.09713	0.2
75.04465	6.3
77.03904	0.2
79.05473	5.6
81.03405	1.8
81.07039	15.5
82.07365	0.4
83.04964	12.9
83.08598	4.2
85.02887	100.0
85.06516	1.4
86.03229	1.1
86.06041	0.3
87.04454	2.5
91.03941	1.9
91.05453	6.1
93.07024	13.8
94.07361	0.3
95.04943	1.9
95.08585	22.1
97.02869	8.5
97.06504	1.1
97.10139	1.9
99.04424	1.9
99.08064	1.5
101.05991	1.0
103.03928	0.5
103.05424	0.7
105.07011	13.0
107.04947	0.8
107.08571	22.6
108.08203	0.2
108.08869	0.4
109.02844	1.2
109.06509	1.2
109.10132	20.8
110.10445	0.3
111.04420	5.5
111.08079	1.1
111.11714	0.8
113.05980	0.2
113.09618	0.5
114.09165	0.4
115.03896	0.3
115.05444	0.3
117.05521	0.5
117.06969	1.8
119.04922	0.4
119.08557	17.7
120.08869	0.4
121.06506	1.4
121.10118	19.7
122.10483	0.3
123.04411	0.7
123.08038	1.8
123.11678	13.9
124.12029	0.3
125.05994	0.3
125.09604	7.0
127.03889	2.6
127.07533	0.6
127.11170	5.0
129.05452	25.2
129.07010	1.4
130.05765	0.4
130.07729	0.4
131.08540	6.5
133.06470	0.7
133.10104	17.2
134.05997	0.2
134.10428	0.5
135.04355	0.3
135.08035	2.7
135.11664	18.6
136.12003	0.5
137.05963	0.7
137.09601	1.5
137.13222	7.3
139.03908	0.5
139.07529	0.7
139.11125	1.4
140.07077	0.3
141.12704	1.6
142.07777	0.3
143.08551	3.3
143.10640	9.0
144.09309	0.5
145.04944	1.6
145.06419	0.4
145.08940	0.5
145.10092	9.8
147.04610	0.2
147.06508	7.1
147.08014	1.7
147.11656	11.1
148.12003	0.2
149.05986	0.2
149.09607	2.7
149.13226	8.3
150.13594	0.3
151.07538	0.6
151.11166	0.9
151.14830	0.9
153.05418	0.4
153.06717	0.2
153.09114	0.5
153.12688	1.2
155.08549	0.9
156.09354	0.6
157.10092	6.3
158.10869	0.6
159.08032	1.3
159.10339	0.5
159.11662	9.7
160.12061	0.3
161.09596	2.5
161.13223	8.1
163.03836	0.4
163.06030	0.9
163.07539	0.6
163.11172	1.1
163.14796	4.0
165.07730	0.3
165.09087	0.7
165.12755	0.7
167.07060	1.1
167.08344	0.2
167.10620	0.4
167.14345	0.5
169.10129	2.2
169.15939	0.2
170.10837	0.5
171.06522	0.2
171.08031	0.4
171.11649	6.4
172.12355	0.4
173.09598	1.3
173.13225	8.3
174.13742	0.4
175.03853	0.3
175.11145	1.4
175.14780	4.6
177.05467	0.5
177.09093	0.8
177.12746	1.0
177.16339	3.3
179.10628	1.2
179.14256	1.2
181.04916	0.4
181.10117	0.7
181.12170	0.3
182.10864	0.2
183.11627	2.1
184.12411	0.3
185.09698	0.5
185.13223	5.2
187.11201	0.8
187.14774	6.2
188.15450	0.4
189.09093	0.3
189.12726	0.9
189.16342	6.6
189.17984	0.4
191.09079	0.3
191.10651	1.0
191.14391	1.0
191.17905	4.8
192.18343	0.2
193.12250	0.7
193.15848	0.4
195.11749	1.1
195.13615	0.2
197.13226	2.5
198.13922	0.3
199.11206	0.6
199.14775	4.0
201.12645	1.1
201.16348	6.2
203.10580	0.5
203.14360	1.3
203.17880	5.1
205.12218	0.6
205.15874	0.8
205.19524	0.3
207.06454	0.4
207.11772	0.5
207.13686	0.5
207.17426	0.5
209.13223	1.5
210.13640	0.2
211.14769	2.4
213.12717	0.7
213.16354	3.0
215.14328	1.6
215.17885	2.0
217.12335	0.4
217.15894	1.1
217.19464	2.3
219.13788	1.2
219.17421	0.7
221.15477	0.5
223.14703	1.1
224.15532	0.2
225.16353	1.5
227.14290	0.8
227.17906	2.4
229.15901	1.3
229.19414	1.3
231.13658	1.1
231.17404	0.8
233.15323	1.4
233.19003	0.5
235.14877	0.3
235.16960	0.7
237.16394	0.9
239.11835	0.3
239.14284	0.3
239.17931	1.0
241.15749	0.6
241.19440	1.3
243.17450	0.8
243.21104	0.9
245.15285	1.3
245.19116	0.5
247.16884	3.0
247.20612	0.3
249.18616	0.4
251.18005	0.9
253.19559	1.4
255.08586	0.4
255.17400	0.5
255.21037	2.7
256.21280	0.3
257.15234	0.3
257.18982	0.7
257.22653	0.3
259.17038	0.7
259.20453	1.6
261.18488	0.7
261.22192	0.4
263.11890	0.4
265.13275	0.5
265.19766	0.5
267.21088	1.1
269.18811	0.5
269.22653	1.0
271.20438	0.8
272.59964	0.2
273.09534	0.4
273.18649	0.4
273.22083	1.1
275.20139	0.5
279.11288	1.2
279.21030	0.7
280.11987	0.3
281.12729	0.3
281.22748	0.6
283.20551	0.6
283.23804	0.3
285.18976	0.4
285.22165	1.3
287.20093	0.8
287.23462	0.5
289.21622	0.5
293.12769	0.2
293.22485	0.6
295.20685	0.4
295.24045	0.4
297.22128	1.2
299.20276	0.3
299.23593	0.7
301.21591	1.3
301.24802	0.3
303.23145	0.3
307.24197	0.5
309.11902	0.7
309.25723	0.6
310.12851	0.2
311.13678	0.3
311.23865	0.5
311.27173	0.3
313.21634	0.8
313.25146	0.5
315.23096	4.5
319.22690	0.5
321.12067	0.3
321.25650	0.5
323.27170	0.4
325.25449	0.5
327.23221	0.5
327.26715	0.4
333.25204	0.5
339.23160	0.3
339.26874	0.7
341.24631	0.5
349.29303	0.3
351.26895	0.8
353.28445	0.5
355.26239	0.3
367.26123	0.3
367.29965	0.6
369.27805	0.9
377.27924	0.3
377.32053	0.8
381.27798	0.4
391.33694	0.4
393.31488	0.5
395.33142	3.7
409.34622	2.4
413.34433	0.3
419.32950	3.8
425.33951	0.4
437.34064	17.1
438.34491	1.0
453.33545	0.3
455.35129	58.3
456.35516	3.8
471.34482	0.4
473.36179	82.7
474.36530	5.0
489.35706	1.7
491.37192	2.6
507.35974	0.2
565.38916	0.3
581.52924	0.2
617.40326	1.9
622.23730	0.4
635.41412	39.1
636.24506	0.2
636.41809	3.4
640.24493	0.7
651.40472	0.5
653.42560	0.9
672.27576	0.7
745.30408	0.3
763.34027	0.3
763.45978	7.1
764.46631	0.4
781.47150	80.8
782.47516	7.4
799.47955	1.0
955.56714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05132	0.2
67.05492	3.8
69.03416	1.3
69.07059	3.6
69.51192	1.6
71.04984	4.4
71.08585	0.2
72.05325	0.2
73.02885	0.3
77.03884	0.2
79.05478	2.8
81.03400	1.9
81.07037	8.9
82.07356	0.4
83.04971	0.9
83.08607	1.8
85.02888	4.7
85.06503	1.0
86.03207	0.4
91.03933	0.5
91.04901	0.4
91.05456	6.2
93.07026	8.2
94.07358	0.4
95.04957	1.0
95.08588	11.0
96.08881	0.4
96.65775	0.2
97.02865	1.1
97.06522	1.0
97.10155	1.4
99.04455	0.3
99.08064	1.2
103.05386	0.2
105.07008	7.0
106.07331	0.2
107.04955	0.4
107.08572	13.6
108.08910	0.5
109.02847	0.7
109.06479	0.8
109.10134	12.6
110.10431	0.6
111.04400	0.5
111.08072	1.3
111.11686	0.4
113.09603	0.4
115.05386	0.2
117.06998	0.9
119.04919	8.4
119.08559	9.7
120.08904	0.4
121.06513	0.8
121.10117	10.2
122.10457	0.3
122.45538	0.1
123.04465	0.2
123.08076	0.9
123.11685	7.5
124.12025	0.4
125.05949	0.2
125.09611	3.4
126.09904	0.2
127.03887	0.5
127.07567	0.3
127.11172	1.6
128.06213	0.2
129.05482	1.0
129.06984	0.5
130.05757	0.2
131.08530	2.9
133.06522	0.4
133.10104	11.2
134.10498	0.4
135.08028	1.4
135.11664	9.8
136.12007	0.4
137.05986	0.3
137.09569	0.7
137.13219	1.9
139.07530	0.2
139.11172	1.1
141.06946	0.2
141.12721	0.8
142.07738	0.4
143.08537	1.6
143.10641	3.5
144.09181	0.2
145.04895	0.2
145.06528	0.3
145.10097	5.5
146.10500	0.5
147.04378	42.9
147.11649	6.7
148.04707	0.3
148.11975	0.3
149.09587	1.5
149.13225	4.0
150.09952	0.2
151.03966	0.2
151.07463	0.4
151.11119	0.9
151.14758	0.3
153.09067	0.2
153.12709	0.5
155.08542	0.5
155.10670	0.2
156.09314	0.3
157.10094	2.4
158.10564	0.2
159.08044	0.5
159.11659	5.3
160.12022	0.5
161.09622	1.2
161.13231	5.5
162.13620	0.3
163.03899	0.3
163.07533	0.5
163.11169	0.7
163.14792	2.8
165.05469	1.8
165.09099	0.4
165.12737	0.6
167.07053	0.2
167.10661	0.3
167.14243	0.2
169.10126	0.9
170.10765	0.2
171.11650	2.4
172.12158	0.3
173.09587	0.7
173.13225	4.2
174.13629	0.3
175.11140	0.7
175.14799	3.2
176.15071	0.2
177.05415	0.6
177.09108	0.4
177.12799	0.4
177.16411	1.7
179.10616	0.6
179.14247	0.8
182.10675	0.2
183.11646	0.7
184.12102	0.2
185.13222	2.2
186.13538	0.2
187.11145	0.6
187.14813	3.6
189.12708	0.7
189.16364	2.7
190.16693	0.2
191.10678	0.3
191.14281	0.4
191.17897	2.0
193.12230	0.4
195.11722	0.4
195.13585	0.1
197.13281	1.1
198.13954	0.2
199.14790	1.9
200.15131	0.2
201.12770	0.5
201.16335	2.4
202.16684	0.2
203.14287	0.5
203.17921	2.9
205.12309	0.4
205.15808	0.5
207.11925	0.2
207.13820	0.3
207.17328	0.3
209.13220	0.5
211.14781	1.0
213.12793	0.2
213.16302	1.4
215.14304	0.7
215.17961	1.1
217.15831	0.8
217.19447	1.0
219.13805	0.6
219.17459	0.3
221.15265	0.3
221.18933	0.2
223.14754	0.5
225.16342	0.5
227.14270	0.6
227.17961	0.9
229.15807	0.5
229.19466	0.3
231.13763	0.4
231.17412	0.4
233.15373	0.9
233.18883	0.3
235.16928	0.4
239.17827	0.5
240.18311	0.2
241.19583	0.8
243.17416	0.4
243.20955	0.3
245.15401	0.5
245.19026	0.4
247.16928	1.0
247.20569	0.4
248.17319	0.2
253.19460	0.6
255.21034	1.0
257.18936	0.3
257.22571	0.2
259.20535	0.9
261.18433	0.4
261.22067	0.2
267.20978	0.4
269.22598	0.4
271.20416	0.5
273.18634	0.2
273.22076	0.6
275.20123	0.4
279.21011	0.4
281.22638	0.3
283.20566	0.2
285.21991	0.4
287.19965	0.3
287.23730	0.2
291.08530	1.3
295.24020	0.2
297.22089	0.5
299.23663	0.6
301.21356	0.5
303.23044	0.6
309.09589	3.2
311.23419	0.4
313.21429	0.2
315.23175	0.9
323.27444	0.2
325.25180	0.3
327.22943	0.2
329.24698	0.3
334.14999	0.2
335.27417	0.2
339.26697	0.3
351.26633	0.3
369.27780	0.5
381.27780	0.2
387.28717	0.3
395.33182	1.0
407.32852	0.3
408.33649	0.2
409.34515	1.0
419.32761	1.0
423.32422	0.2
424.32794	0.3
425.33972	0.6
426.34882	0.3
427.34686	0.2
433.91058	0.2
435.32425	0.2
436.33081	0.4
437.34006	4.1
441.33649	0.3
442.33554	0.2
453.33630	0.9
454.33820	0.9
455.35110	13.0
456.35431	0.5
471.34467	1.1
472.35034	1.1
473.36169	100.0
474.36551	3.2
489.35602	1.5
490.35947	2.0
491.37122	10.6
555.49963	0.2
617.40015	0.3
619.41138	0.2
633.40216	0.3
634.40112	0.8
635.40594	1.1
653.41901	1.0
781.45654	0.3
943.51166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6955
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	11.3
69.03408	0.6
69.07053	11.8
71.04137	1.2
71.04955	0.6
71.08594	0.8
75.68325	0.4
77.03919	0.8
79.05476	9.4
81.07043	28.0
82.07358	0.4
83.04962	1.2
83.08603	12.0
85.06513	0.4
85.10214	0.4
91.04898	0.8
91.05463	12.5
93.07027	27.7
95.04935	2.2
95.08589	43.8
96.08920	0.6
97.06503	2.5
97.10155	3.9
99.08078	0.9
103.05423	1.2
105.07010	43.5
106.07354	0.5
107.08575	52.0
108.08893	0.4
109.06490	1.1
109.10136	41.8
110.10475	0.5
111.08042	1.0
111.11698	0.4
113.05975	1.5
117.06985	4.5
119.08560	63.4
120.08847	0.8
121.06489	1.1
121.10121	60.7
122.10429	0.9
123.08044	3.1
123.11681	19.0
124.12002	0.5
125.05876	0.6
125.09614	2.9
128.06146	0.5
129.06976	2.1
130.07776	0.5
131.08540	16.5
132.08832	0.6
133.10106	57.8
134.10471	1.3
134.31648	0.4
135.08035	1.8
135.11668	41.6
136.12004	0.9
137.05934	0.6
137.09601	1.9
137.13223	6.1
139.07510	1.2
139.11137	2.4
142.07765	0.8
143.08531	5.2
144.09329	0.9
145.10100	25.5
146.10643	0.8
146.91364	0.4
147.08026	1.2
147.11659	39.4
148.12032	0.9
149.05963	0.9
149.09613	1.9
149.13229	15.8
151.07449	0.5
151.11107	0.9
151.14827	1.5
153.09109	4.3
155.08534	0.9
156.09296	0.7
157.10101	6.4
158.10867	1.2
158.85924	0.4
159.08101	0.5
159.11662	20.6
160.12369	0.8
161.09660	1.9
161.13228	28.6
162.13614	0.8
163.07581	0.7
163.11113	1.2
163.14795	28.4
164.15186	0.7
165.09082	4.7
165.16312	0.8
167.10643	1.5
169.10097	1.9
170.10815	0.7
171.11649	9.2
172.12410	1.1
173.09596	0.9
173.13235	16.9
174.13947	0.7
175.07533	0.6
175.11171	1.2
175.14792	37.2
176.15231	0.8
177.09073	0.8
177.16351	48.3
178.16704	1.7
179.10616	4.2
179.14302	0.9
179.17903	0.7
181.12134	0.4
181.15932	0.5
183.11607	2.3
184.12408	0.7
185.13231	11.4
186.13965	0.7
187.11217	1.0
187.14787	33.8
188.15169	1.3
189.12741	1.7
189.16348	66.8
190.16695	1.8
191.10640	1.1
191.14275	3.0
191.17911	19.0
193.12202	0.8
193.15833	4.3
197.13222	2.3
198.13872	0.7
199.14781	14.3
201.16353	41.7
202.16736	1.3
203.14194	2.0
203.17918	83.7
204.18269	2.0
205.12299	2.6
205.15919	2.5
205.19482	3.4
207.13779	1.2
207.17426	3.5
209.13452	0.8
209.15355	3.3
211.14754	2.1
213.12943	0.4
213.16344	13.4
214.16971	2.0
215.14354	1.8
215.17914	21.9
216.18239	0.6
217.12326	0.4
217.15944	3.0
217.19505	7.7
219.13814	2.2
219.17336	2.1
221.15361	1.4
221.19072	1.3
223.14784	0.6
223.16937	0.9
225.16318	3.0
227.17868	3.8
229.15857	1.1
229.19478	4.9
231.13745	1.1
231.17375	4.0
231.21053	1.6
233.15326	4.8
233.18993	1.2
235.16899	2.7
237.14748	0.9
239.17923	3.1
241.19464	5.4
243.13730	0.5
243.17450	0.7
243.21040	2.9
245.15421	1.3
245.19040	0.5
245.22566	0.7
247.16899	3.7
249.18492	3.9
253.19420	2.0
255.21046	5.4
257.19125	0.6
257.22568	1.7
259.16858	4.4
261.18448	3.3
265.19592	0.6
267.20981	1.9
269.19296	0.5
269.22626	3.1
271.16986	1.8
271.20779	0.6
271.24203	0.8
273.18423	2.9
275.20065	1.3
281.22565	4.7
283.24142	1.1
285.18469	0.9
287.20050	1.3
291.20755	0.5
293.22580	0.8
295.24173	0.9
299.20016	1.8
301.21634	1.0
307.24130	1.6
309.25742	3.4
313.21600	0.8
321.25711	1.1
327.23236	5.0
334.35614	0.4
335.27063	0.5
341.24847	1.6
353.24664	1.4
355.26282	3.5
367.26416	1.4
377.32150	1.9
379.33456	2.6
381.27985	1.0
381.34903	0.5
387.30475	1.4
389.31903	1.1
391.33539	9.9
392.34393	0.4
395.32983	0.5
401.31812	0.6
405.31488	9.9
407.33234	2.5
409.30020	0.6
409.34674	6.1
419.33038	1.2
423.32513	57.0
424.32751	2.9
425.34128	4.8
426.34491	0.5
427.35577	1.7
433.31012	3.8
437.34088	100.0
438.34454	6.7
441.33575	4.5
451.32004	41.1
452.32266	2.7
455.35236	4.1
469.33081	53.2
470.33566	4.1
473.36206	10.2
474.37100	0.4
487.34122	6.2
500.80447	0.4
855.44849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	4.8
69.03424	5.2
69.07056	4.4
70.38644	1.1
70.39066	0.6
70.46252	0.3
71.01331	0.5
71.04979	30.6
73.02911	3.0
75.04465	2.5
79.05478	3.8
79.25698	0.3
81.03408	3.0
81.07040	8.8
83.04967	21.2
83.08598	1.6
84.05273	0.3
85.02889	59.9
85.06531	1.1
86.03223	0.3
87.04433	1.6
91.03931	4.8
91.05460	5.8
93.07024	9.7
95.04954	2.9
95.08589	17.7
97.02873	8.6
97.06523	2.2
97.10157	1.5
98.21346	0.4
99.04416	1.7
99.08075	0.7
101.02380	0.5
103.03933	0.6
103.05448	0.7
105.07016	8.2
107.04951	0.8
107.08575	13.8
109.02881	2.1
109.06489	2.1
109.09388	0.5
109.10137	10.5
109.10859	0.7
111.04425	3.8
111.08060	0.8
113.05987	1.2
113.09641	2.0
115.03941	0.5
115.05433	0.5
117.06995	1.7
119.04862	0.3
119.08556	10.2
120.08883	0.4
121.06478	2.3
121.10120	12.6
121.10953	0.8
122.07285	0.6
123.04438	0.4
123.07111	0.6
123.08041	10.5
123.11686	6.1
123.12521	0.3
125.05981	0.4
125.09589	2.5
127.03894	5.6
127.11233	0.5
128.06219	0.5
129.05452	15.3
129.07014	1.4
131.04886	0.5
131.08542	4.8
133.06474	0.5
133.10110	10.5
135.04384	0.7
135.08051	1.6
135.11670	13.3
136.11993	0.4
137.09590	53.0
137.13200	3.2
138.09964	0.8
139.11150	1.0
141.09073	4.6
142.07736	0.4
143.08513	2.3
143.10614	0.8
145.02890	0.4
145.04929	5.4
145.06174	0.6
145.06467	0.5
145.10112	6.9
147.04462	0.8
147.06496	8.6
147.07906	0.7
147.11656	7.7
149.05948	0.4
149.09592	1.7
149.13251	3.9
151.07541	0.4
151.11234	1.1
151.14790	0.4
155.08507	1.7
156.09413	0.5
157.10129	4.4
159.08046	1.4
159.10205	1.4
159.11678	6.5
161.09572	1.7
161.13211	4.3
163.03922	2.3
163.06017	2.9
163.11211	1.2
163.14769	2.9
165.07684	0.4
165.09128	1.0
165.12772	0.7
166.35069	0.4
167.07098	0.8
167.08496	0.5
169.10126	1.6
171.06509	0.4
171.07950	0.4
171.11674	4.5
173.09631	1.3
173.13269	3.6
175.07590	0.5
175.11240	2.2
175.14793	3.2
177.05467	0.9
177.09079	0.5
177.12672	1.3
177.16408	1.6
179.10612	1.8
179.14357	1.0
181.10077	0.6
183.10210	0.5
183.11598	2.3
185.13226	4.1
187.11172	1.5
187.14780	4.6
189.12773	1.1
189.16359	3.3
191.10716	1.0
191.14308	0.7
191.17896	2.6
193.12260	0.5
195.11716	1.1
197.13287	1.4
199.11133	0.7
199.14813	2.3
201.12755	1.1
201.16331	3.2
203.10695	0.5
203.14258	1.8
203.17911	2.6
205.15900	0.4
207.06604	0.5
207.11682	0.4
209.13300	0.7
211.14799	1.3
213.12785	0.9
213.16347	2.1
215.14241	1.3
215.17986	1.3
217.15828	0.9
217.19453	0.8
219.13658	0.6
221.13356	0.5
223.14818	0.9
225.12659	0.6
225.16371	1.1
227.14311	1.0
227.17987	1.1
229.12227	0.4
229.15916	1.0
229.19513	0.6
231.13773	0.8
233.15292	0.5
237.16331	0.6
239.17883	0.6
241.15848	0.9
241.19591	0.7
243.13748	0.5
243.17534	0.4
243.21039	2.6
245.15446	1.0
247.13226	0.4
247.16837	0.4
251.17914	1.0
253.19534	1.0
255.08652	1.5
255.21109	1.0
257.15262	0.4
257.18970	0.6
259.17056	0.6
261.14606	0.4
267.21075	0.7
269.22473	0.5
273.09525	0.9
273.18359	0.5
279.21030	0.6
281.22693	1.4
283.20203	0.4
283.24286	1.3
285.21774	0.4
293.22568	2.9
295.24121	0.9
297.22113	0.6
299.20071	1.0
299.23520	0.5
309.11801	2.6
311.20502	0.6
311.23526	2.4
313.21609	0.9
313.25314	1.2
315.23312	0.9
321.25806	0.9
323.27301	0.6
325.11307	0.4
327.23056	0.7
329.24768	0.8
339.23001	0.7
339.26877	0.7
349.21326	0.4
349.25223	1.6
351.26770	1.2
353.28391	0.4
357.24176	4.7
363.26779	0.9
365.28360	1.6
367.26242	0.9
375.25320	1.0
381.27890	0.9
383.29404	2.9
393.26996	0.5
393.31589	0.8
399.28757	0.8
401.30475	1.1
407.32898	0.8
411.32483	1.0
417.31543	0.8
423.32767	0.8
425.33926	1.1
435.32486	7.1
437.33966	1.2
441.33835	2.2
453.33566	22.9
454.33780	1.1
455.35110	4.0
471.34644	44.6
472.35291	1.8
473.36542	0.5
486.78714	0.4
487.34534	0.5
489.35687	100.0
490.35974	3.6
633.40021	2.8
651.40894	8.9
743.29022	0.8
779.45654	1.7
795.45172	6.0
797.45947	0.6
813.46191	2.8
878.93060	0.5
941.50610	5.3
959.50262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5191
Annotation	Asiaticoside
Peak:m/z	Relative Intensity
67.05496	5.1
69.03414	5.1
69.07052	4.8
70.84650	1.2
71.01321	0.6
71.04978	29.2
73.02909	2.9
75.04456	2.7
79.05481	4.7
79.05923	0.5
79.81014	0.5
81.03408	2.6
81.07040	9.2
81.79028	0.4
83.04964	21.6
83.08585	1.8
85.02888	56.0
85.06548	0.7
87.04440	0.9
91.03926	4.3
91.05459	4.6
93.07022	9.3
95.04957	3.0
95.08587	17.2
97.02877	8.4
97.06504	2.1
97.10153	1.3
99.04446	2.0
99.08086	1.0
101.02365	0.5
103.03923	1.0
105.07004	8.1
107.04941	0.9
107.08573	13.4
109.02863	2.3
109.06492	2.3
109.10133	11.0
110.16481	0.3
111.04411	4.0
111.08055	1.0
111.11673	0.5
113.05990	0.8
113.09651	1.9
114.09171	0.5
117.06996	1.3
119.04925	0.5
119.08554	10.1
121.06509	1.7
121.10118	12.0
121.10956	0.8
123.08047	10.7
123.11671	6.2
125.05964	0.4
125.09641	1.9
127.03892	6.7
127.11188	0.7
129.05455	15.1
129.06990	1.4
130.08667	0.4
131.08527	4.8
133.06421	0.8
133.10107	8.4
135.08061	1.3
135.11668	10.9
136.06184	0.5
137.09587	53.7
137.13173	3.2
138.09932	0.7
139.07553	0.6
139.11165	1.2
141.06938	0.6
141.09068	4.3
143.08531	2.9
143.10648	0.7
144.09386	0.4
145.04906	5.4
145.06157	0.4
145.06367	0.3
145.10083	6.2
147.04466	0.7
147.06505	7.9
147.07977	1.3
147.11656	7.3
149.09552	2.0
149.13237	5.4
151.07462	0.9
151.11116	1.2
153.12752	0.4
155.08536	1.7
157.10118	3.6
159.08037	1.6
159.10161	1.3
159.11682	6.1
161.09590	1.5
161.13251	4.7
163.03850	1.3
163.05995	3.5
163.07491	0.9
163.11171	1.6
163.14833	3.2
165.07640	0.6
165.09093	0.9
167.07072	0.5
169.10112	2.2
170.10861	0.5
171.11650	3.7
173.09622	1.1
173.13199	4.1
175.11176	1.7
175.14764	2.6
177.05510	0.5
177.09178	0.5
177.12747	1.2
177.16328	1.2
179.10664	2.1
179.14371	0.5
181.04840	0.4
181.10126	0.9
183.11598	1.9
185.09517	0.4
185.13196	3.1
187.11171	1.3
187.14780	4.2
189.12741	1.4
189.16347	2.9
191.10661	0.9
191.17917	2.5
193.12206	0.9
195.11684	1.2
197.13237	2.4
199.11179	0.8
199.14754	2.9
201.12735	1.3
201.16330	3.3
203.10638	0.6
203.14296	1.6
203.17882	2.6
205.12212	0.4
205.19505	0.4
207.11749	0.5
209.13254	0.9
211.14845	1.7
213.12746	1.0
213.16298	1.8
215.14323	1.4
215.17935	1.0
217.12256	0.5
217.15836	0.6
217.19536	0.9
220.85788	0.4
223.14891	0.7
225.16347	1.2
227.14400	0.7
227.17885	0.7
229.15863	0.9
229.19531	1.2
231.13858	0.9
237.07520	0.4
237.16287	1.0
239.17989	1.0
241.19489	0.9
243.13654	0.8
243.17416	0.6
243.21043	2.9
245.15414	1.2
245.19122	0.5
251.18086	0.5
253.19449	1.1
255.08600	1.2
255.17389	0.6
255.21072	1.4
257.15353	0.5
257.19095	0.6
265.19409	0.8
267.20911	0.5
269.22678	0.7
273.09656	1.2
279.21078	0.5
281.22687	0.6
283.24234	1.1
285.18851	0.5
293.22620	2.2
295.24188	1.2
297.22073	0.6
299.20032	0.9
309.11752	2.0
311.23691	3.0
313.21661	1.2
313.25232	1.0
315.23248	0.6
321.25687	0.7
323.27194	0.7
329.24545	0.5
335.27466	0.5
339.23041	0.9
339.26801	0.9
349.25336	1.3
351.26779	1.2
355.30447	0.4
357.24142	5.7
363.26968	0.6
365.28476	1.8
367.26105	1.0
375.25436	0.7
381.27878	1.0
383.29404	3.6
393.31464	1.0
399.28766	1.3
401.30545	0.8
407.33191	0.8
411.32544	1.0
417.31189	0.9
419.33173	0.5
423.32407	0.9
425.33929	1.3
435.32541	6.0
436.33081	0.7
437.34137	1.0
441.33737	1.9
453.33527	20.7
454.33887	1.1
455.35071	3.6
471.34631	44.3
472.34958	2.3
489.35678	100.0
490.35880	4.1
633.39996	2.7
651.40845	8.4
652.41150	0.7
761.30566	0.5
779.45227	1.7
795.45221	5.4
813.45642	3.6
941.34802	0.4
941.51379	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	957.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	3.9
69.03411	4.5
69.07055	2.2
70.06586	2.0
70.24247	2.9
71.04974	1.8
73.02892	1.1
78.97123	0.7
79.05484	2.3
80.05002	1.0
81.03403	4.2
81.07048	2.4
83.04967	1.7
84.08115	1.1
85.02881	9.5
85.91775	0.9
86.09682	1.0
91.05469	2.8
93.07044	1.1
94.02937	1.2
94.06572	4.2
95.04958	2.4
95.08617	1.6
96.04471	0.9
96.08118	1.8
97.02866	2.9
97.06509	1.6
98.06055	1.0
99.04434	1.4
105.06999	2.0
106.06542	3.3
107.04942	2.1
107.07328	0.9
108.08095	7.4
109.02850	4.9
110.06020	1.0
112.03944	2.4
112.87646	0.9
114.09144	7.5
118.06512	1.2
119.04914	1.9
119.08592	0.9
120.08080	7.1
122.06010	12.8
123.08096	1.0
124.07568	3.8
126.43854	0.9
127.03886	2.1
130.06500	1.1
130.08600	1.1
131.04939	1.2
134.05986	3.9
134.09624	0.8
135.04419	1.1
136.03958	1.0
136.06201	0.9
136.06467	1.1
136.07550	9.2
137.05960	3.1
138.05461	2.1
140.07047	20.7
142.08621	1.4
144.04457	1.7
145.02826	2.3
145.09972	1.0
146.06006	6.4
147.04346	5.2
148.07526	9.6
150.09108	2.8
151.03938	1.7
152.07025	4.6
154.08574	1.0
159.11555	1.0
160.07565	2.8
160.09691	2.5
162.05478	0.9
162.09105	1.6
163.03903	2.3
163.07504	1.1
164.07018	4.4
166.08609	4.8
167.07091	1.6
168.08078	0.9
172.03909	9.1
174.05484	6.9
174.09132	1.5
175.03868	1.4
176.07050	5.0
177.05441	3.2
178.08521	1.4
190.04871	3.9
197.10757	1.4
202.08531	1.2
204.06517	13.6
206.08105	5.4
207.06488	2.6
208.09698	3.4
210.11403	2.0
211.12262	2.4
213.10223	1.9
221.10773	2.2
222.11263	2.0
223.08682	2.5
223.12286	4.5
224.13016	2.5
225.10234	8.7
225.13788	2.9
226.10905	2.4
226.14624	1.3
227.11751	5.0
233.10826	1.0
234.11194	1.3
235.08633	3.8
235.12311	2.3
236.09431	3.5
236.12988	1.3
237.10217	12.1
237.13754	4.7
238.10878	7.2
238.14574	1.4
239.11758	20.3
240.12448	4.1
241.13301	3.6
247.12303	1.3
248.09171	4.1
249.10165	11.2
249.12703	1.0
249.13898	1.8
250.10924	13.4
251.08110	2.2
251.11769	42.1
252.12485	11.3
253.09622	2.1
253.13336	20.6
254.14008	2.5
255.11247	1.1
261.10071	1.5
262.10992	2.4
263.11777	34.3
263.14636	1.7
264.08954	2.3
264.12451	5.7
265.09763	11.2
265.13327	50.1
266.10477	6.2
266.13998	7.9
267.11215	8.7
267.14838	5.5
268.12018	2.4
269.12848	3.0
271.14377	2.2
274.10818	1.8
275.11737	3.2
276.10080	1.2
276.12695	1.4
277.09744	7.3
277.12881	5.9
278.10382	9.9
279.11237	100.0
280.11899	11.1
281.12820	16.3
282.13528	1.6
283.10721	5.5
283.14017	1.7
285.12265	3.8
287.13950	1.9
289.13162	1.4
291.11252	14.1
291.14355	1.6
292.11896	6.0
293.09467	1.6
293.12808	27.9
294.13504	3.1
295.10709	7.3
295.14346	7.3
296.11472	3.5
297.12274	16.7
298.13165	4.1
299.13815	5.5
303.11017	1.6
305.12747	1.1
307.10733	2.2
309.12286	19.1
309.15875	1.0
310.12872	11.8
311.13843	35.7
312.14590	4.2
313.11749	3.1
313.15424	7.2
319.10727	9.8
319.14166	0.9
320.11404	2.6
321.12326	20.2
322.12637	1.8
323.10315	1.4
323.13892	4.1
325.11929	1.6
325.15414	2.8
327.13464	1.4
328.13971	2.7
329.11978	1.0
331.13046	1.2
331.16687	2.2
333.12329	1.4
335.13773	1.3
337.11707	9.2
337.15417	1.0
338.12476	4.6
339.13406	21.6
340.13788	1.8
341.14886	2.3
345.14453	6.7
351.13275	9.7
352.13983	1.8
353.14877	15.6
354.15704	1.6
355.16577	1.7
356.13556	1.2
357.14514	2.8
358.15561	2.0
365.14853	1.1
367.16632	1.0
369.14432	9.5
370.15076	2.7
371.15948	15.0
372.16928	3.0
379.12762	3.4
380.13782	1.2
381.14407	6.5
382.15335	1.3
383.16083	3.0
384.17014	1.7
385.17950	1.2
387.15521	1.8
394.14679	1.3
395.16006	3.7
399.15594	3.3
400.16660	4.4
401.16293	1.1
402.18274	1.3
407.15866	1.8
411.15378	9.8
412.16168	2.6
413.17029	9.4
414.17960	4.2
415.18546	2.3
416.19611	3.7
417.14258	1.3
418.17493	1.5
419.15900	1.6
423.15204	2.5
424.15836	1.4
425.17270	1.1
432.19107	2.0
433.19531	2.7
434.20612	1.2
435.15546	2.9
437.16953	5.3
439.14294	5.6
440.15643	2.6
441.16455	12.5
442.17371	3.6
443.17932	3.0
444.19101	1.2
445.14160	1.1
447.15439	1.5
453.16568	7.0
454.17120	2.6
455.18063	11.7
456.18976	2.2
457.19965	1.1
459.17487	4.7
460.18646	6.6
463.14944	3.6
465.16498	5.1
471.17679	12.8
472.18295	3.5
473.19174	13.6
474.20325	4.6
475.16510	4.2
479.17987	1.5
480.21182	3.0
481.15964	20.7
482.16626	7.3
483.17535	16.5
484.17953	1.1
492.21201	7.1
494.22571	1.1
495.17621	2.1
497.19183	4.7
499.09778	1.7
499.17029	28.5
500.17679	7.3
501.18607	21.5
502.19360	2.8
507.19684	1.0
511.25427	2.5
513.18512	10.2
514.19415	2.1
515.20239	17.9
531.19794	12.8
533.21191	34.1
534.21930	8.5
542.22626	2.4
558.21741	1.3
560.23322	1.1
568.20471	3.8
576.23267	2.2
582.24109	1.4
586.21765	8.4
594.23944	2.6
600.23419	9.1
601.26465	4.6
604.22827	10.8
606.24536	1.5
615.27954	1.5
618.24316	14.6
619.24988	1.2
622.23846	18.6
624.25824	1.5
633.28577	1.1
636.25415	38.6
637.25739	2.6
638.26758	1.0
640.24963	5.3
641.24695	1.4
642.25916	1.8
643.26581	2.2
654.26459	29.2
655.26715	1.3
672.27002	3.0
675.29761	3.1
691.27356	1.5
709.27954	6.0
722.29059	1.3
723.29572	4.2
727.29620	5.0
730.25732	1.3
740.30438	1.3
741.30957	12.1
745.30566	11.2
748.26221	1.5
758.31158	5.1
759.32489	6.8
762.28210	2.7
763.31793	7.4
766.28174	3.0
777.33295	11.4
781.29449	1.2
784.29144	29.6
785.29004	1.8
795.34198	2.6
798.30151	1.8
802.30157	55.0
803.29871	3.1
805.32910	1.2
816.31757	10.5
817.32080	1.4
834.32782	19.3
835.32599	1.1
871.33411	3.7
879.59314	1.0
885.34570	3.2
889.34698	2.0
903.35663	3.5
907.35889	17.2
921.36127	1.1
925.20288	1.2
925.36884	13.1
939.37604	7.1
957.38586	7.2
989.00775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	3.1
68.05028	0.7
69.03407	3.4
69.07059	3.7
70.06579	3.8
71.01337	0.6
71.04964	2.6
71.14384	1.4
72.08125	0.7
72.37268	0.7
73.02890	1.0
79.05467	2.2
81.03409	6.0
81.07027	2.6
82.00940	0.6
83.04958	1.8
84.08124	1.0
85.02891	5.7
86.09680	1.3
89.03904	3.0
91.05441	2.0
93.07018	1.9
94.06554	5.0
95.04929	2.7
95.08595	1.5
96.04492	0.7
97.02852	2.7
98.91693	0.6
105.06987	1.8
106.06524	1.8
107.04932	1.6
107.08568	2.1
108.08096	6.5
109.02855	2.4
109.10108	1.8
112.07558	0.8
114.09155	2.9
117.03339	2.1
117.07011	0.8
119.08574	1.4
120.04472	0.9
120.08088	2.0
121.10107	1.6
122.06007	13.2
122.09591	0.8
123.04370	0.8
123.08039	1.0
124.07549	2.6
127.03880	2.8
129.05539	0.8
129.06929	0.8
130.08574	0.6
131.04907	0.9
131.07336	0.6
131.08490	1.4
132.08078	1.0
132.96587	0.6
133.10115	0.8
134.05956	3.6
135.04419	3.7
135.11641	1.1
136.06221	2.9
136.07550	9.7
137.05986	3.1
137.09569	0.6
138.05464	1.0
140.05991	1.2
140.07042	17.8
142.08635	1.1
144.04422	1.2
145.02824	4.1
145.10075	0.9
146.05974	8.9
146.09610	1.1
147.04362	2.7
147.06750	0.7
147.11653	0.7
148.07542	11.1
149.08330	0.7
150.05484	0.7
150.09123	3.1
152.07057	4.1
154.08548	1.2
157.10063	0.9
159.11678	1.2
160.07605	1.2
160.09666	2.8
162.05449	2.1
162.09116	2.3
163.03874	28.2
163.11055	0.6
164.04085	0.8
164.07053	6.3
166.08601	3.8
167.07025	2.0
169.10118	0.8
172.03893	11.2
172.07597	0.9
173.04614	0.7
173.09642	0.9
174.05490	8.0
174.09172	2.0
175.03859	1.0
176.07028	11.5
176.10651	0.6
177.05472	2.5
178.08606	1.8
180.10193	0.7
181.04971	1.3
186.09105	0.9
187.11168	1.1
188.07059	0.9
190.04939	3.0
190.08597	0.8
192.06496	2.5
193.08739	0.7
197.10706	1.2
198.11423	0.7
202.08662	0.7
204.06534	15.0
204.08344	1.2
204.10242	0.7
206.08072	4.0
207.06480	1.1
208.09674	5.7
209.10652	1.5
210.11530	2.2
211.08554	1.0
211.12242	2.8
212.13046	0.8
213.13896	0.7
214.08588	1.3
216.10257	0.7
218.08032	0.7
220.09747	1.2
221.10767	2.0
222.11353	2.1
223.08754	0.7
223.12151	4.0
224.12950	1.1
225.10179	6.4
225.13924	2.9
226.08670	0.7
226.10910	1.9
227.11729	3.8
228.06496	1.2
229.13519	0.7
230.08159	1.1
232.09627	1.1
234.11411	1.2
235.08678	2.3
235.12303	3.5
236.09384	1.8
236.12949	1.4
237.10207	11.4
237.13843	3.5
238.08672	1.5
238.10936	9.4
238.13542	0.7
238.14534	1.0
239.11777	15.6
239.15491	1.0
240.12479	2.4
241.13326	1.8
243.11229	1.1
244.09628	0.8
247.08818	0.7
247.12170	1.3
248.09268	5.1
249.10159	8.3
249.12662	0.8
249.13940	1.3
250.10910	8.6
251.11749	26.4
252.08954	0.8
252.09935	0.9
252.12466	6.2
253.09550	1.1
253.10454	0.9
253.13327	11.7
254.13994	1.0
255.11179	1.1
256.09686	0.8
261.10092	1.6
261.12500	1.3
262.10968	2.0
263.11761	27.0
264.09076	1.9
264.12524	6.5
265.09711	8.7
265.13315	31.3
265.16171	1.6
266.10605	4.0
266.14093	7.1
267.11249	6.6
267.14789	2.1
268.11896	1.5
269.12894	3.0
271.14511	4.4
274.10757	5.6
275.11783	3.0
276.12454	2.8
277.09683	8.1
277.13318	7.3
278.10495	8.0
279.11240	100.0
280.11926	13.1
281.09811	0.6
281.12778	10.8
282.13486	2.0
283.10620	2.2
283.14325	1.5
285.12329	2.5
287.13956	3.0
290.10468	1.1
291.11221	12.7
291.14264	0.4
292.11877	12.0
293.09467	0.7
293.12766	17.8
294.13388	5.3
295.10724	6.6
295.14291	3.1
296.11569	2.5
297.12299	32.8
298.13052	5.0
299.14014	3.8
303.11151	2.4
305.12732	1.8
307.10718	2.6
308.11389	0.9
309.12280	23.4
310.12894	17.5
311.13834	18.9
312.14413	2.2
313.11789	3.4
313.15424	2.3
314.16574	0.8
317.12631	1.0
318.09921	0.8
319.10785	9.7
320.11459	2.3
321.12305	17.2
322.12949	1.7
323.10187	1.5
323.13831	1.7
324.10901	1.6
324.14417	0.9
325.12000	3.9
325.15280	1.0
330.13205	0.9
331.13129	1.1
335.13684	1.0
336.10703	1.0
336.14478	0.8
337.11771	27.2
338.12534	11.3
339.13351	26.9
340.13803	2.5
341.15018	1.8
344.14075	1.1
345.14474	6.2
349.11502	0.8
351.05121	0.6
351.13361	3.0
352.13913	1.2
353.14990	4.5
355.16727	0.8
357.14438	1.0
358.15543	1.1
360.17206	1.3
365.15060	1.2
367.12695	1.2
369.14423	10.2
370.15192	2.2
371.16019	9.8
372.16721	1.3
377.14774	0.8
378.15332	0.8
379.12717	2.3
379.16830	0.9
380.13562	1.4
381.14261	3.3
383.15851	1.0
384.17032	1.3
388.16922	1.0
393.14288	2.4
395.16058	4.7
396.17188	0.7
397.17700	3.7
398.14746	0.9
400.16318	4.9
401.16901	0.8
402.17963	1.1
407.16037	1.3
411.15402	2.2
413.16989	3.9
414.18048	1.5
415.18607	4.1
416.19894	0.9
417.14682	1.1
418.16727	0.9
419.15958	2.2
420.18881	1.0
423.15436	4.2
424.16324	1.9
425.16977	1.3
426.17447	0.8
431.17609	0.8
432.18970	1.2
433.19553	2.0
435.15469	3.2
436.16211	1.0
437.16977	4.8
439.14069	1.0
440.15646	1.2
441.16522	7.8
442.17316	3.9
445.13840	2.2
446.15060	1.0
447.15405	2.8
453.16571	8.7
454.17380	5.4
455.17981	2.9
460.18549	12.5
461.19171	1.0
462.20105	1.1
463.14914	5.4
464.15790	2.0
465.16547	6.3
469.15918	1.2
469.33188	1.7
474.19733	1.1
478.19681	5.0
479.18497	1.1
480.20825	0.9
481.16034	25.9
482.16702	14.3
483.17551	27.7
484.17853	2.5
492.21143	1.9
495.17239	1.3
497.19211	3.3
498.19919	0.8
499.16772	1.5
502.19388	2.1
510.22183	1.1
513.18561	8.0
514.19403	1.7
515.20209	13.3
528.21246	0.8
534.21936	0.9
540.21088	1.5
542.22595	1.2
546.22278	0.9
550.19110	1.1
558.22247	1.7
560.23596	2.0
562.22498	0.7
568.20648	6.7
569.21106	0.9
574.21594	1.1
578.24811	1.6
583.25604	1.0
586.21808	13.9
587.22455	1.4
588.23132	1.5
594.24371	1.4
600.23297	6.5
601.26501	20.5
602.26550	0.9
604.22827	18.6
605.23395	2.3
606.24146	2.3
610.24115	1.5
618.24384	13.1
619.24756	2.0
620.25208	1.0
622.23859	80.4
623.24121	5.5
624.25226	1.2
636.25476	13.9
637.19769	1.8
640.24597	3.7
642.26196	0.8
643.27979	3.4
654.26508	24.7
655.26752	1.9
661.20056	0.8
672.27802	0.9
675.30511	0.9
691.27411	4.4
709.28577	43.1
710.28668	2.8
723.30548	3.3
727.29669	15.5
728.29999	1.1
741.31116	7.7
745.30658	40.3
746.31049	2.6
759.32532	3.6
763.31989	5.1
777.33167	11.1
784.26190	2.5
802.28119	9.7
803.29010	1.5
834.30420	3.5
925.34906	5.1
957.47662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	70.5
69.03423	4.0
69.06681	1.3
69.07061	24.2
69.55158	10.3
70.14754	1.0
71.04985	2.1
71.08614	2.1
73.02904	5.0
79.05477	33.7
80.98571	1.0
81.03380	1.5
81.07043	76.8
83.04943	1.3
83.08614	16.1
85.02885	19.4
85.06516	2.4
85.10191	1.3
91.03940	15.2
91.05468	18.3
93.06422	1.3
93.07028	45.2
95.04974	3.5
95.08590	60.6
96.08916	1.1
97.02876	9.5
97.06516	5.2
97.10156	8.0
99.08073	1.7
105.07013	18.1
107.08582	25.4
107.09318	1.7
109.06519	1.7
109.10138	28.4
111.08068	1.9
113.09624	1.7
113.39952	1.1
115.03915	1.3
117.07017	5.5
119.08562	15.8
121.10120	26.4
123.08080	1.2
123.11681	11.1
125.09573	1.9
127.03870	6.8
128.27716	1.0
131.08521	10.4
132.14107	1.0
133.10112	13.5
135.11662	16.8
137.09558	1.2
137.13248	4.7
139.11148	1.6
143.08583	1.4
145.04926	9.0
145.10088	9.1
147.10461	1.3
147.11656	11.5
149.13229	12.7
151.14836	1.8
157.10120	1.5
159.11716	8.5
161.13248	10.5
163.05975	11.3
163.14789	10.2
165.16428	1.8
171.11655	1.2
173.13219	7.9
175.14824	5.1
177.16379	3.2
180.08673	1.3
185.13210	1.6
187.14717	2.5
189.16476	1.5
201.16394	1.9
219.17424	1.2
219.21150	1.4
233.22618	1.8
241.19611	1.9
243.21074	7.9
245.22600	2.4
259.20566	7.7
261.22125	26.6
263.23599	5.9
273.22137	1.3
275.23706	1.3
289.25378	1.9
297.24298	1.6
305.04318	1.1
317.24698	3.9
333.24283	7.1
335.25748	91.5
336.26175	2.3
337.27307	100.0
337.72812	1.1
338.27707	1.9
339.28857	9.1
342.29996	1.0
368.50406	1.2
477.35416	1.1
497.31488	1.5
499.44974	1.4
500.91589	1.4
505.38464	1.9
517.38696	1.5
523.44934	5.4
531.40057	1.6
541.46094	3.3
545.42206	1.4
559.44434	1.2
597.48663	45.7
598.48645	1.7
615.49738	71.6
616.49835	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	955.6641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	12.4
69.03407	1.0
69.07054	10.8
71.04974	0.6
71.08618	0.7
71.19373	0.8
72.72762	0.3
77.03889	0.6
79.05473	9.2
79.05909	0.6
81.07039	25.6
83.04959	1.2
83.08598	7.1
85.06523	0.8
87.04453	0.3
91.04896	0.6
91.05462	11.1
93.07024	24.4
95.04955	4.7
95.08585	41.3
96.08881	0.5
97.05989	0.5
97.06522	4.3
97.10137	2.5
99.08078	0.8
103.05431	0.6
105.05983	0.5
105.07008	32.2
107.08571	45.0
108.08883	0.4
109.06513	2.5
109.10133	34.1
110.10454	0.5
111.08043	1.7
111.11702	1.1
113.05977	3.4
115.05417	0.5
116.06237	0.3
117.06989	3.9
119.08556	56.7
120.08872	0.5
121.06502	1.3
121.10120	63.5
122.10467	0.7
123.08053	3.7
123.11681	16.4
125.05962	1.1
125.09592	2.8
128.06215	0.8
129.07011	2.0
130.07764	0.5
131.08542	14.6
133.06470	0.9
133.10103	44.8
134.10471	0.5
135.08058	2.8
135.11662	35.4
136.12012	0.6
137.05962	0.4
137.09608	2.7
137.13234	5.5
139.07530	1.9
139.11142	3.3
142.07751	0.9
143.08528	6.5
144.09322	0.7
145.10094	25.3
146.10905	0.5
147.07990	2.9
147.11658	29.1
148.11958	0.5
149.05930	0.5
149.09613	4.6
149.13222	14.5
151.07516	1.2
151.11169	0.9
151.14809	0.9
153.09074	7.3
155.08575	1.1
156.09308	0.8
157.10100	7.6
158.10854	1.2
159.08003	1.1
159.11659	17.2
160.12367	0.6
161.09619	2.8
161.13226	19.3
162.13564	0.5
163.07523	1.5
163.11128	1.9
163.14784	21.2
165.09088	6.3
165.12712	1.4
165.16365	1.0
167.10608	3.3
169.10083	2.0
170.10886	1.2
171.11655	7.8
171.13010	0.6
172.12473	1.6
173.09630	0.5
173.13226	18.8
174.13788	0.4
175.11279	2.7
175.14786	36.2
176.15129	0.5
177.09131	1.6
177.12871	0.9
177.16348	34.7
178.16692	0.6
179.10622	4.4
179.14230	0.8
179.17908	0.5
181.10066	0.5
181.12175	0.4
182.10860	0.3
183.11635	2.4
184.12437	0.6
185.13223	9.6
186.13911	0.5
187.11270	1.0
187.14781	48.4
188.15236	1.0
189.12859	2.5
189.16347	50.1
190.16705	1.1
191.10669	1.1
191.14279	8.5
191.15964	0.8
191.17891	7.1
193.12271	1.6
193.15842	9.8
193.17520	0.6
195.11699	0.8
196.12404	0.5
197.13245	2.7
199.14780	14.4
200.15448	0.5
201.12688	1.2
201.16345	25.3
202.16640	0.6
203.14284	3.0
203.17912	56.6
204.18271	1.2
205.12213	1.4
205.15813	2.4
205.19481	3.6
207.13770	1.3
207.17403	1.2
209.13332	0.9
209.15359	3.3
211.14752	1.8
213.16333	13.3
214.17003	1.9
215.14671	1.8
215.17908	17.2
217.12305	0.5
217.15887	5.3
217.19421	3.1
219.13780	8.6
219.17236	1.8
221.15363	3.4
221.18961	1.4
223.14879	0.6
223.16924	0.6
225.16405	1.6
227.14352	0.4
227.17874	3.2
229.15953	2.1
229.19473	2.8
231.13779	1.0
231.17393	6.1
231.21053	1.4
233.15314	4.4
233.18961	0.9
235.16849	4.2
237.14758	9.0
239.17908	1.9
241.19490	4.3
243.17401	0.9
243.21002	2.7
245.15318	2.3
245.19089	0.4
245.22549	0.4
247.16905	3.8
249.18468	10.7
251.16454	1.3
253.19466	1.4
255.17265	0.4
255.20996	3.2
257.19186	0.4
257.22626	2.4
259.16898	5.0
259.24222	0.6
261.18423	3.9
265.19574	0.5
267.21060	1.1
269.22647	1.5
271.20670	0.8
271.24182	2.3
273.18460	1.0
273.22437	0.4
275.20117	0.7
279.20911	0.6
281.22549	0.9
283.20517	0.5
283.24023	0.6
285.18469	0.5
285.21942	0.5
287.20004	0.8
293.22577	0.8
295.24194	0.6
299.20013	0.4
299.23654	0.4
301.21548	0.7
307.24118	2.6
309.25714	4.1
310.26398	0.7
311.27365	1.5
315.23117	0.7
319.24191	0.5
321.25671	0.8
341.24802	0.8
349.25317	0.4
353.24744	1.9
355.26312	4.7
367.26346	0.6
369.27859	0.7
371.29285	0.4
377.32071	4.9
379.33505	3.5
381.27878	0.6
387.30365	2.4
389.31940	1.2
395.33035	4.6
405.31439	19.2
406.31805	1.0
407.33014	4.7
409.30988	0.6
415.29922	0.6
423.32495	100.0
424.32782	4.2
425.34061	8.7
433.30951	7.5
434.31406	0.4
441.33560	29.2
442.34079	1.0
443.35120	1.2
451.31992	60.4
452.32431	2.9
469.33063	70.7
470.33450	3.5
487.34116	40.3
488.34470	2.2
510.35873	0.6
528.36786	0.7
584.27100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05131	1.0
67.05492	14.9
69.03420	12.8
69.07058	10.5
70.06585	3.0
71.01351	1.9
71.04980	58.5
71.48315	1.3
72.05312	0.7
73.02902	9.4
73.06524	0.4
75.04477	3.8
79.05016	0.5
79.05480	9.3
81.03416	2.8
81.07043	25.5
83.04967	22.9
83.08619	3.4
85.02890	100.0
85.06522	1.0
86.03221	0.5
86.09703	0.9
87.04437	3.4
88.03977	0.5
91.05471	10.3
93.06429	0.5
93.07027	19.3
95.04958	6.2
95.08591	24.8
97.02880	15.2
97.06515	2.0
97.10157	1.8
99.04445	7.4
99.08073	0.5
103.03923	1.0
103.05433	1.2
105.07014	24.0
107.04935	1.3
107.08575	23.7
107.09316	0.7
109.02858	1.0
109.06499	3.4
109.10138	34.2
110.10575	0.4
111.04424	32.0
111.08073	2.5
111.11696	1.1
113.02328	0.6
113.05995	2.2
114.09145	0.5
115.03921	8.7
115.05402	1.0
117.05483	4.0
117.06985	4.4
119.08561	24.5
120.08897	0.7
121.06478	1.5
121.10126	24.2
123.04427	1.2
123.08057	3.1
123.11687	33.0
125.05977	1.6
125.09599	0.9
127.03902	3.0
128.06238	0.5
129.05461	30.4
129.06982	1.9
130.07715	1.0
130.08609	0.6
131.08551	12.8
133.04906	1.3
133.06432	0.7
133.10106	23.4
135.04424	0.8
135.08049	3.7
135.11671	12.6
136.06154	1.5
137.05968	1.8
137.09586	1.2
137.13251	2.8
139.03874	1.9
139.07521	1.1
139.11183	0.7
139.39270	0.4
142.07709	1.2
143.08536	6.3
144.09224	0.9
145.02835	0.9
145.04926	1.9
145.06374	0.9
145.10101	18.6
147.04341	0.9
147.06490	6.7
147.08000	1.4
147.11661	15.0
149.05905	0.5
149.09596	2.3
149.13229	12.2
151.07512	2.0
151.11137	1.8
151.14818	1.3
153.05389	0.6
153.09061	1.1
155.08487	2.0
156.09282	1.1
157.04962	1.0
157.10103	8.2
159.08026	2.0
159.11665	16.7
160.09689	0.5
161.05899	0.8
161.09596	2.7
161.13231	17.0
163.03867	1.3
163.06018	1.4
163.07491	3.2
163.11105	1.9
163.14787	4.4
165.09052	2.1
165.12714	0.8
167.07079	0.8
167.08487	0.7
167.10638	0.9
169.10114	3.7
170.10867	0.8
171.06509	13.9
171.07916	0.5
171.11658	7.5
173.08214	0.8
173.09578	2.7
173.13234	14.1
174.13618	0.7
175.11163	1.4
175.14796	8.8
177.05432	0.8
177.09119	2.5
177.12669	1.6
177.16353	4.5
179.08548	0.5
179.10603	1.8
181.10170	1.1
182.10812	0.5
183.06543	0.5
183.11624	3.6
185.09686	0.6
185.13234	7.5
187.09642	0.5
187.11116	1.5
187.14795	12.3
189.07562	11.2
189.09070	1.2
189.12703	1.5
189.16353	7.7
191.10661	3.8
191.14214	1.0
191.17914	4.1
193.10150	0.8
193.12204	0.9
195.06355	0.7
195.11632	1.9
195.13522	0.4
197.13226	2.4
199.11064	0.9
199.14769	5.6
201.09018	0.7
201.12663	1.1
201.16356	9.1
203.10616	1.9
203.14236	1.8
203.17921	2.2
205.12190	1.2
205.15880	3.6
207.06430	0.6
207.17424	2.4
209.13190	2.0
211.11046	0.4
211.14792	3.1
213.12721	1.1
213.16331	5.1
215.14223	1.8
215.17850	2.5
217.12163	1.6
217.15807	1.3
217.19501	1.1
219.13791	2.5
219.17400	1.6
221.13319	0.7
221.15294	1.9
223.14729	1.4
225.07558	4.0
225.12807	0.6
225.16248	2.0
227.14188	1.2
227.17845	1.6
229.12198	1.6
229.15755	1.1
229.19508	0.8
231.13832	3.1
231.17465	0.9
233.15237	2.3
233.18842	0.6
235.16794	1.3
237.16272	1.2
239.14268	0.7
239.17865	1.9
241.15938	0.6
241.19530	2.3
243.08600	2.8
243.13741	0.9
243.20985	0.8
245.15355	4.5
245.19026	0.6
247.16913	10.9
249.16290	0.5
251.17888	1.7
253.15871	0.5
253.19431	1.6
255.17307	0.7
255.21014	0.8
257.15210	1.5
259.16989	1.1
259.20483	0.5
261.09610	1.1
261.18341	0.5
265.19357	1.1
267.17648	0.5
267.20914	1.8
269.18878	0.7
271.16809	1.9
271.20419	0.6
273.18469	3.8
279.10666	2.5
279.20947	0.6
281.22458	1.1
283.16843	0.6
285.18369	1.4
287.20123	0.8
291.20889	0.8
293.22546	0.8
295.20554	0.8
295.23938	0.6
297.18552	0.5
299.19879	1.3
301.21533	2.3
307.24136	0.9
309.21970	0.9
311.19922	1.8
311.23297	0.5
313.21570	2.5
319.23929	0.6
321.25729	0.6
325.21497	0.8
325.25186	0.9
327.23062	3.6
329.21112	0.9
331.22586	1.0
335.27090	1.5
339.23102	1.2
339.26752	0.5
341.24649	0.6
349.24857	0.9
349.28745	0.6
353.24612	2.2
355.26102	1.6
363.30118	0.5
365.24500	0.7
367.22076	0.7
367.26288	7.5
371.25861	0.8
375.30380	1.5
377.28012	1.2
379.26062	1.4
385.27182	4.3
389.27002	0.6
389.31949	1.1
393.31683	2.6
395.29355	10.5
403.28156	1.0
405.31241	1.2
407.27563	1.8
407.32919	1.9
411.32715	3.3
417.31403	3.0
423.32507	6.9
425.34119	3.4
435.32520	17.5
436.32632	0.6
443.35068	0.7
451.31882	0.6
453.33612	15.7
454.33804	0.6
457.29269	0.8
465.33142	0.8
469.32620	1.5
471.34647	42.1
472.34622	1.2
473.36063	0.7
483.34454	1.6
495.34113	0.8
505.32980	0.7
513.34119	0.5
523.33649	1.3
527.34552	1.6
531.33984	1.1
545.36182	4.2
549.35498	1.1
563.37164	8.9
567.36511	0.8
581.38312	6.6
585.37085	0.6
599.39099	0.7
603.38892	3.3
615.39478	0.6
677.38623	1.1
731.43536	5.4
749.44495	6.4
793.41370	0.6
955.52881	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	954.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	58.5
69.03417	3.5
69.06672	0.8
69.07056	15.1
70.90861	1.1
71.04982	1.9
71.08636	0.6
73.02905	4.4
74.09709	0.5
79.05478	36.4
81.03413	1.3
81.07040	63.9
82.07375	0.5
82.38433	0.4
83.04967	1.6
83.08603	8.1
85.02889	17.1
85.06532	1.5
91.03939	12.0
91.05460	25.9
93.07025	46.3
95.04947	4.8
95.08588	50.6
96.04481	1.2
97.02875	10.4
97.06526	2.7
97.10175	2.6
99.04456	1.2
99.08083	1.4
103.05457	0.5
105.04502	0.9
105.07010	19.3
107.08574	26.9
109.02865	0.6
109.06522	2.2
109.10138	23.1
110.10444	0.4
111.08074	1.3
111.11700	0.6
113.09669	0.4
114.72610	0.4
115.03872	0.5
115.05451	0.7
117.06995	7.6
119.08558	19.1
121.10123	22.8
123.08070	1.7
123.11678	9.0
123.12505	0.7
125.09623	0.8
127.03909	5.2
128.06209	0.6
129.05486	0.5
129.07008	1.8
131.08543	13.5
133.10103	15.1
135.08075	0.6
135.11673	14.4
137.09566	1.0
137.13229	3.1
139.11147	0.8
143.08548	2.0
144.09349	0.4
145.04933	5.9
145.10103	11.5
145.11208	0.8
147.11664	10.8
149.09621	0.9
149.13225	10.7
150.90588	0.5
151.11180	0.5
151.14798	1.0
153.12700	0.6
155.08521	0.8
157.10104	2.2
159.11662	10.5
161.13226	9.1
161.14522	0.8
163.05991	6.4
163.11098	0.8
163.14828	4.3
165.12775	0.7
165.16331	0.5
169.10072	0.9
171.11681	2.3
173.13226	8.4
175.14806	3.9
177.12683	0.8
177.16368	1.7
179.14360	0.6
183.11674	0.8
185.13226	2.3
187.14825	3.8
189.16386	1.4
191.14227	0.6
197.13243	0.9
199.13289	0.4
199.14819	2.4
201.16370	2.0
203.17896	0.8
204.66603	0.4
205.15756	0.6
205.19452	0.6
211.14841	0.5
213.16434	0.7
215.17883	0.9
219.17587	0.5
219.21182	0.4
223.16997	0.4
229.19536	0.5
231.21046	0.6
233.22548	0.8
241.19595	4.1
243.21028	5.4
245.22620	1.1
257.18906	0.6
259.20532	11.5
261.22101	20.9
263.23746	2.4
268.62347	0.4
273.22015	0.5
277.21512	0.5
279.23264	0.8
285.22180	0.7
287.23547	0.8
291.22980	0.5
296.80746	0.5
299.23700	1.1
301.24808	0.5
309.08997	0.5
313.25247	0.5
315.23251	0.9
315.26855	0.6
317.24792	3.3
323.25778	0.6
325.25830	0.5
333.24200	9.3
333.28040	0.8
335.25742	100.0
336.26086	1.8
337.27310	15.8
341.28290	0.5
353.27286	0.6
369.24106	0.5
461.27545	0.4
489.35709	0.8
491.37070	0.6
503.36624	0.8
503.42960	0.7
521.43555	3.6
529.38806	0.8
531.40326	0.8
539.44360	1.7
543.40350	1.4
557.42120	0.7
595.47089	19.9
596.46997	0.7
613.48157	29.9
614.48254	1.3
937.16333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	100.0
68.05842	1.4
69.03415	5.2
69.07050	12.1
69.44675	6.8
70.06578	2.0
71.01339	1.0
71.04976	8.5
73.02911	4.2
77.03934	1.0
79.05480	34.0
81.03410	8.8
81.07042	51.6
82.07372	1.3
83.04967	3.9
83.08604	11.1
85.02887	10.6
85.06521	3.8
87.04453	46.5
91.03957	5.3
91.05466	24.3
93.07028	38.2
94.07357	0.7
95.04964	8.4
95.08591	37.0
96.04508	0.6
96.08966	0.7
97.02880	7.2
97.06505	4.1
97.10149	9.9
99.04453	9.4
99.08109	1.4
101.06065	0.7
105.04506	1.0
105.07011	15.8
107.04948	2.4
107.08570	25.6
108.08945	0.8
109.02847	1.0
109.06517	2.2
109.10140	66.9
110.10448	0.8
111.04422	1.5
111.08076	4.5
113.05968	0.7
115.03865	0.9
115.05424	0.7
116.07092	2.5
117.07011	6.7
119.06104	0.5
119.08564	17.6
119.09396	1.2
120.35767	0.6
121.06503	1.3
121.10124	18.9
123.04433	0.9
123.08075	1.7
123.11681	4.7
125.06045	0.6
125.09617	9.4
127.03893	2.9
127.11158	0.6
129.06985	2.4
131.08551	12.2
133.06511	0.7
133.10118	9.2
134.10603	0.5
135.08107	0.7
135.10687	0.5
135.11665	12.6
135.12633	1.0
137.09610	5.1
137.13257	1.3
141.06903	0.6
143.08559	1.8
143.10631	1.3
144.06573	0.6
144.10634	0.5
145.04976	2.8
145.10094	11.7
147.07991	0.7
147.11661	7.6
149.09604	2.5
149.13251	7.1
151.11176	0.9
153.12810	0.6
155.08537	0.6
155.10583	2.8
157.10138	3.4
159.11674	6.6
161.13245	5.5
163.06047	2.6
163.11145	4.2
163.14738	2.8
165.12724	1.5
167.10716	0.8
169.03804	0.6
169.10130	1.6
171.11699	2.1
173.04414	1.1
173.09532	1.0
173.11748	21.0
173.13252	5.1
175.14786	3.3
177.16402	0.8
181.12267	1.2
183.11681	0.9
185.13251	1.9
187.14854	2.7
189.11191	1.8
189.12808	0.6
189.16339	1.4
191.10704	1.6
193.12161	3.0
197.13351	1.2
199.13315	5.7
199.14832	1.2
201.16351	1.0
203.18022	0.6
205.15869	0.8
209.11674	1.3
209.13416	0.8
211.13335	1.9
217.14279	1.1
219.17433	0.6
227.12703	5.7
229.14310	57.1
230.14749	0.8
241.14296	3.6
241.19585	0.7
243.20998	4.9
257.13791	4.3
259.15460	2.2
259.20566	3.0
261.22113	14.4
261.24670	1.1
262.22385	0.9
267.15845	10.5
271.20538	1.8
275.20132	1.0
277.21637	2.1
283.15295	0.7
289.21671	2.4
293.21152	0.8
297.22076	1.0
299.23627	1.3
309.22119	0.9
315.17953	7.8
315.23352	0.9
317.24771	3.1
327.23001	1.4
331.22388	0.7
333.24228	1.9
335.25757	60.2
336.26172	2.3
345.24222	0.9
351.25256	1.8
363.25232	5.3
415.31503	1.0
418.86093	0.7
433.31042	1.0
435.32584	0.9
451.32126	2.1
459.34885	0.8
471.34601	0.9
477.35867	7.6
487.34134	1.1
489.35706	78.3
490.36166	3.3
507.36462	2.4
517.35162	4.7
525.35608	2.6
527.37360	1.1
543.36749	8.0
544.37201	0.7
561.37823	3.5
575.39374	4.7
593.40192	1.7
717.50153	3.6
717.99988	2.1
723.01660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.2
69.03419	1.8
69.07063	1.6
70.06545	0.3
71.01308	0.3
71.04939	0.9
71.78591	0.3
71.79038	0.3
72.08086	0.2
79.05479	3.5
79.61632	0.3
81.01947	0.2
81.03403	3.5
81.07040	4.0
83.04919	0.8
83.08602	1.2
85.02895	2.0
87.04411	0.3
88.77197	0.2
91.03897	0.8
91.05468	5.2
92.04980	4.7
93.05779	1.2
93.07025	3.4
94.06499	0.9
95.04959	1.5
95.08593	2.2
97.02864	2.1
97.06478	0.5
97.10111	0.7
99.04389	0.4
101.02333	0.6
105.07005	3.4
106.06528	1.8
107.04900	0.8
107.08567	2.4
109.02824	0.4
109.06465	0.6
109.10135	1.8
111.04388	0.2
111.08003	0.4
114.09090	0.3
117.05738	1.5
117.07001	1.0
118.06519	15.5
119.07339	1.4
119.08546	2.9
120.08086	1.6
121.06466	0.4
121.10110	1.3
123.07977	0.4
123.11559	0.2
125.09579	0.2
127.03838	0.6
128.06175	0.3
129.05453	0.2
129.06923	0.7
129.25002	0.2
130.06493	1.3
131.07239	0.6
131.08498	1.4
132.08066	2.1
133.06422	0.3
133.10100	2.5
134.09578	0.6
135.08008	0.4
135.11642	0.6
137.08255	0.3
141.06987	0.2
143.08490	0.4
144.08043	0.5
145.08997	0.3
145.10056	1.3
146.09558	1.0
147.08031	0.3
147.11623	1.6
149.09552	0.8
149.13272	0.4
150.09142	0.3
151.11093	0.3
157.10086	0.5
159.11623	0.7
160.09607	0.4
160.11171	0.3
161.13229	0.3
162.09111	16.9
163.09911	4.7
163.11154	0.5
164.10632	0.8
169.10068	0.3
171.11629	0.2
173.11813	0.2
173.13210	0.5
175.11160	0.4
176.10655	1.9
181.12154	0.2
183.11685	0.2
190.12170	0.4
193.12163	0.9
202.15880	4.4
204.13847	0.3
211.13205	0.4
214.94458	0.2
218.15347	0.8
229.14383	0.3
230.15352	32.0
231.15747	0.5
248.16513	2.0
253.14275	0.4
257.19000	0.4
262.18005	1.9
267.15869	3.8
268.16562	0.2
269.17474	0.3
274.17899	1.1
275.20020	2.1
291.19495	0.7
292.19009	71.1
293.19354	1.4
304.19034	2.5
318.20386	0.3
322.19943	0.8
332.22171	0.8
348.21643	2.0
349.23679	1.0
365.22681	0.2
421.26709	0.3
510.27057	2.9
533.34845	0.9
541.35156	7.5
541.98175	0.2
559.36346	1.5
564.40771	0.3
582.41943	0.4
591.38556	0.4
608.43896	0.3
626.44183	2.5
672.32056	3.4
770.49847	0.3
788.49292	7.6
789.50574	0.4
950.54517	100.0
951.54669	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	950.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.2
69.03419	1.8
69.07063	1.6
70.06545	0.3
71.01308	0.3
71.04939	0.9
71.78591	0.3
71.79038	0.3
72.08086	0.2
79.05479	3.5
79.61632	0.3
81.01947	0.2
81.03403	3.5
81.07040	4.0
83.04919	0.8
83.08602	1.2
85.02895	2.0
87.04411	0.3
88.77197	0.2
91.03897	0.8
91.05468	5.2
92.04980	4.7
93.05779	1.2
93.07025	3.4
94.06499	0.9
95.04959	1.5
95.08593	2.2
97.02864	2.1
97.06478	0.5
97.10111	0.7
99.04389	0.4
101.02333	0.6
105.07005	3.4
106.06528	1.8
107.04900	0.8
107.08567	2.4
109.02824	0.4
109.06465	0.6
109.10135	1.8
111.04388	0.2
111.08003	0.4
114.09090	0.3
117.05738	1.5
117.07001	1.0
118.06519	15.5
119.07339	1.4
119.08546	2.9
120.08086	1.6
121.06466	0.4
121.10110	1.3
123.07977	0.4
123.11559	0.2
125.09579	0.2
127.03838	0.6
128.06175	0.3
129.05453	0.2
129.06923	0.7
129.25002	0.2
130.06493	1.3
131.07239	0.6
131.08498	1.4
132.08066	2.1
133.06422	0.3
133.10100	2.5
134.09578	0.6
135.08008	0.4
135.11642	0.6
137.08255	0.3
141.06987	0.2
143.08490	0.4
144.08043	0.5
145.08997	0.3
145.10056	1.3
146.09558	1.0
147.08031	0.3
147.11623	1.6
149.09552	0.8
149.13272	0.4
150.09142	0.3
151.11093	0.3
157.10086	0.5
159.11623	0.7
160.09607	0.4
160.11171	0.3
161.13229	0.3
162.09111	16.9
163.09911	4.7
163.11154	0.5
164.10632	0.8
169.10068	0.3
171.11629	0.2
173.11813	0.2
173.13210	0.5
175.11160	0.4
176.10655	1.9
181.12154	0.2
183.11685	0.2
190.12170	0.4
193.12163	0.9
202.15880	4.4
204.13847	0.3
211.13205	0.4
214.94458	0.2
218.15347	0.8
229.14383	0.3
230.15352	32.0
231.15747	0.5
248.16513	2.0
253.14275	0.4
257.19000	0.4
262.18005	1.9
267.15869	3.8
268.16562	0.2
269.17474	0.3
274.17899	1.1
275.20020	2.1
291.19495	0.7
292.19009	71.1
293.19354	1.4
304.19034	2.5
318.20386	0.3
322.19943	0.8
332.22171	0.8
348.21643	2.0
349.23679	1.0
365.22681	0.2
421.26709	0.3
510.27057	2.9
533.34845	0.9
541.35156	7.5
541.98175	0.2
559.36346	1.5
564.40771	0.3
582.41943	0.4
591.38556	0.4
608.43896	0.3
626.44183	2.5
672.32056	3.4
770.49847	0.3
788.49292	7.6
789.50574	0.4
950.54517	100.0
951.54669	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	949.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	3.5
69.03414	11.9
69.07054	3.1
70.06580	0.5
71.01329	1.9
71.04977	58.4
71.38520	0.4
71.38860	0.5
72.05311	0.3
72.08141	0.3
73.02903	7.4
75.04466	2.7
79.05468	3.1
81.03413	1.6
81.07040	7.6
83.04964	9.6
83.08602	1.6
84.08107	0.3
85.02887	93.2
85.06529	0.7
86.03220	0.5
86.06088	0.4
87.04446	2.2
91.05453	3.3
93.07027	7.1
95.04953	2.2
95.08583	10.4
97.02870	12.7
97.06534	1.1
97.10159	1.2
99.04436	7.8
99.08064	0.9
101.06019	0.7
103.03948	0.5
103.05468	0.5
105.07008	5.8
107.04965	0.5
107.08572	9.4
109.02879	1.1
109.06509	0.7
109.09386	0.6
109.10132	10.9
111.04424	5.9
111.05137	0.5
111.08041	0.5
111.11691	0.6
113.02357	0.3
113.06010	0.5
114.09163	0.8
115.03906	8.3
115.05415	0.3
117.05476	4.1
117.06969	0.7
119.04948	0.7
119.08557	8.8
121.06472	0.7
121.10120	9.3
123.04422	0.9
123.08039	1.0
123.11681	7.2
125.05958	0.7
125.09591	2.7
127.03889	2.4
127.07584	0.4
127.11151	2.5
129.05453	23.5
129.07013	0.6
130.05792	0.3
130.08630	0.3
131.04884	0.3
131.08562	2.3
133.04948	0.9
133.06465	0.7
133.10101	8.6
135.04390	0.9
135.08057	1.3
135.11667	7.8
137.05962	1.1
137.09625	0.5
137.13235	3.2
139.03864	2.5
139.07521	0.5
139.11118	0.3
141.12744	0.9
143.08507	1.5
143.10646	2.8
145.02905	0.6
145.04944	2.5
145.06482	0.3
145.10095	5.1
147.04416	1.2
147.06491	6.0
147.08012	0.9
147.11661	5.3
149.05968	0.3
149.09636	1.3
149.13226	3.6
151.03886	0.8
151.07545	0.6
151.11205	0.6
151.14775	0.5
153.05473	0.7
153.09033	0.4
153.12758	0.8
155.08490	0.3
157.04935	1.1
157.10104	2.5
159.08040	0.7
159.11665	5.0
161.05951	0.5
161.09618	1.4
161.13225	4.2
163.03914	1.4
163.05983	1.8
163.07411	0.5
163.11130	0.6
163.14774	2.1
165.05473	0.4
165.09015	0.4
167.07065	0.7
169.04921	0.3
169.10098	0.9
171.06483	1.7
171.11641	2.6
172.55072	0.3
173.09602	0.6
173.13228	4.2
175.11185	0.8
175.14781	2.5
175.28316	0.3
177.05473	1.2
177.09082	0.6
177.12714	0.4
177.16351	2.2
179.07155	0.4
179.10678	0.7
179.14345	0.8
180.48418	0.3
181.04926	0.6
181.10152	0.3
183.06618	0.3
183.11688	1.0
185.13228	2.4
187.11166	0.6
187.14774	3.4
189.12743	0.8
189.16339	3.4
191.10643	0.4
191.14383	0.6
191.17889	2.6
195.11719	0.5
197.08067	0.3
197.13162	1.2
199.05972	0.5
199.14780	2.5
201.16359	2.7
203.17920	2.7
205.12265	0.5
205.15796	0.6
207.06549	0.9
207.13795	0.3
209.13342	0.3
211.14830	0.8
213.12773	0.3
213.16277	1.5
215.14357	0.4
215.17967	1.1
217.12447	0.4
217.15877	0.6
217.19525	0.8
219.13747	0.8
221.11678	0.3
223.14847	0.5
225.07503	2.8
225.09396	0.3
225.16373	0.8
227.14531	0.3
227.17950	1.0
229.15912	0.5
229.19638	0.7
231.13780	0.5
231.17513	0.5
233.15332	0.7
239.17949	0.4
241.15849	0.3
241.19479	1.3
243.08549	2.4
243.17355	0.3
243.21147	0.5
245.15434	0.8
247.16895	1.8
253.19629	0.5
255.21074	1.2
257.19037	0.3
257.22574	0.3
259.16977	0.3
259.20618	0.5
261.09601	1.7
269.18961	0.3
269.22638	0.6
271.20517	0.4
273.22214	0.3
275.20215	0.4
277.19653	0.3
279.10687	2.0
279.21085	0.6
283.06152	0.3
285.22006	0.7
287.20163	0.4
295.24301	0.3
297.22305	0.4
299.23776	0.3
301.21622	0.5
313.21762	0.5
313.32144	0.3
315.08661	0.6
315.23102	2.3
323.27353	0.4
329.24927	0.4
341.24692	0.5
345.25684	0.3
351.27109	0.5
367.29871	0.3
369.27808	0.4
377.32150	0.3
381.27802	0.4
383.29517	0.4
395.33145	2.0
409.34573	1.3
418.30365	0.4
419.33029	1.8
427.35327	0.4
437.34094	10.6
438.34427	0.3
451.22955	0.3
455.35135	26.5
456.35373	0.6
467.92236	0.3
472.34653	0.3
473.36176	42.0
474.36517	1.4
491.36832	0.3
541.10785	0.3
587.39380	0.8
605.40344	16.7
606.40924	0.7
733.44861	7.0
734.45819	0.4
751.46088	100.0
752.46393	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	947.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	4.5
69.03419	5.5
69.07053	3.1
71.01336	0.9
71.04601	0.4
71.04980	7.5
71.08626	0.3
73.02904	22.1
73.06547	0.3
75.04466	7.7
79.05476	3.4
81.03395	1.0
81.07041	8.6
82.64576	0.2
83.04969	4.2
83.08602	1.9
84.08871	0.2
84.50272	0.2
85.02889	9.2
85.06522	0.9
87.04446	1.0
88.95052	0.2
91.05451	2.7
93.07025	8.5
93.84031	0.2
95.04951	1.4
95.08588	13.1
97.02872	5.9
97.06530	1.4
97.10168	1.4
99.04438	1.8
99.08081	0.6
101.06010	1.1
103.03954	0.3
104.25349	0.2
105.07014	7.3
107.04876	0.4
107.08573	13.2
109.02878	0.4
109.06495	1.1
109.10136	13.0
111.04422	4.9
111.08068	0.7
113.05974	0.4
113.09584	0.2
114.09158	0.3
115.03912	6.0
115.05408	0.3
117.05492	0.6
117.07005	1.0
119.04912	0.3
119.08560	10.8
121.06487	0.9
121.10122	13.2
123.08047	8.6
123.11686	8.0
125.05946	0.5
125.09601	3.7
127.03886	1.1
127.07568	0.4
127.11188	2.4
129.05444	3.3
129.06949	0.5
131.08557	2.7
133.04956	1.7
133.06459	0.4
133.10107	10.6
134.10445	0.4
135.08026	1.7
135.11670	12.0
136.07565	0.3
136.12032	0.3
137.05992	0.6
137.09595	6.3
137.13222	2.9
139.07571	0.3
139.11169	0.8
139.78760	0.3
141.12659	1.1
142.07732	0.2
143.08551	1.9
143.10643	4.2
145.04962	0.3
145.06485	0.3
145.10103	6.4
147.04367	0.4
147.06500	2.1
147.08028	0.8
147.11664	7.3
148.12091	0.3
149.09578	1.4
149.13243	4.6
151.03952	0.3
151.07529	0.3
151.11160	0.7
151.14771	0.3
152.70865	0.3
153.09113	0.3
153.12688	0.9
155.07091	0.3
155.08534	0.6
157.05049	0.3
157.10115	2.7
159.08005	0.6
159.11670	6.5
159.12929	0.5
161.09641	1.2
161.13228	5.9
161.14514	0.4
163.03751	0.2
163.06145	0.2
163.07545	0.7
163.11169	0.9
163.14790	3.2
165.09113	0.6
165.12784	0.5
167.07053	0.3
167.14261	0.5
169.10043	1.2
170.10902	0.3
171.06543	0.4
171.07901	0.3
171.11647	2.9
171.12993	0.3
173.09613	0.7
173.13228	4.2
175.11165	1.4
175.14830	2.9
177.05609	0.3
177.09148	0.5
177.12733	0.6
177.16347	2.2
179.06992	0.3
179.10712	0.7
179.14311	0.6
182.10875	0.3
183.11644	1.8
185.09637	0.7
185.13240	2.8
187.11212	0.7
187.14775	4.9
189.12741	1.0
189.16380	4.9
191.10667	0.9
191.14319	0.8
191.17903	4.0
193.12291	0.8
195.11687	0.7
197.13200	1.6
199.09634	1.2
199.11252	0.4
199.14787	2.5
201.12744	0.8
201.16359	3.4
201.18094	0.3
203.10681	0.4
203.12590	0.3
203.14354	0.9
203.17917	3.5
205.12219	0.5
205.15833	0.5
205.19353	0.4
207.13780	0.4
207.17377	0.4
209.13338	0.5
211.14815	1.5
213.12833	0.5
213.16376	2.4
215.14296	0.7
215.17976	1.3
217.10658	2.6
217.12514	0.3
217.15807	0.7
217.19490	1.5
219.13838	0.5
219.17552	0.3
221.15359	0.4
223.14871	0.7
225.07596	0.6
225.16402	0.7
227.14311	0.6
227.17899	1.4
229.15828	0.9
229.19591	0.8
231.13812	0.8
231.17422	0.5
233.15309	1.2
235.16939	0.5
237.16516	0.4
239.17961	0.7
241.19534	1.0
243.08600	0.7
243.17377	0.5
243.21092	0.7
245.15292	0.5
247.16949	1.1
247.20576	0.3
249.18570	0.3
251.17967	0.3
253.19460	0.8
255.21045	1.9
257.19073	0.5
259.16898	0.6
259.20560	0.8
261.09802	0.4
261.18430	0.4
265.13559	0.4
267.21097	0.7
269.22525	0.4
271.16788	0.3
271.20380	0.5
273.18628	0.5
273.22192	0.5
275.19897	0.3
279.11063	1.0
279.21091	0.5
281.22552	0.4
283.20697	0.2
285.22159	0.8
287.23764	0.3
293.22656	0.5
297.22113	0.8
299.23599	0.6
301.21713	0.4
309.25787	0.5
311.23721	0.4
313.21628	0.6
313.25015	0.4
315.23181	2.6
321.25656	0.4
323.27271	0.5
327.23010	0.3
327.26749	0.3
333.25620	0.2
339.26764	0.6
341.18506	0.2
347.27509	0.3
351.26801	0.3
357.27820	0.3
365.28381	1.0
369.27884	0.4
377.32135	0.3
383.29373	6.9
384.29712	0.4
393.31573	0.4
395.32846	1.1
401.30518	4.0
402.30560	0.3
409.34744	1.0
419.32874	1.2
435.32626	1.4
437.34061	4.9
438.34695	0.3
453.33612	5.4
454.33728	0.4
454.40305	0.2
455.35165	6.9
455.41238	0.5
456.35495	0.5
471.34683	9.0
472.35077	0.7
473.36151	5.8
474.36795	0.5
489.35687	5.0
491.36990	1.1
507.36807	0.4
533.34869	0.3
587.39307	5.9
588.39392	0.6
603.39435	1.2
603.47546	0.3
605.40381	100.0
606.40790	7.4
606.50439	0.3
621.40076	0.8
623.41534	7.8
624.41479	0.5
638.81079	0.3
646.29742	0.3
653.42584	0.3
731.43378	0.8
749.44550	12.4
750.44727	1.0
751.46149	1.6
767.45587	8.6
768.45471	0.5
785.46625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	2.6
68.30509	0.1
69.03420	2.6
69.07054	2.3
70.06580	0.1
70.93177	0.5
71.01346	0.5
71.04980	2.6
73.02904	18.7
73.06538	0.3
74.09692	0.2
75.04469	0.5
77.03889	0.2
79.05476	2.0
81.03409	0.3
81.07041	6.2
83.04974	0.5
83.08605	1.5
85.02892	3.3
85.03440	0.2
85.06505	0.7
85.87130	0.1
87.04470	0.4
91.05453	2.1
93.07027	6.1
95.04956	0.6
95.08587	9.5
97.02876	2.9
97.06503	0.7
97.10149	0.8
99.04453	0.2
99.08067	0.7
105.07009	4.5
105.07706	0.3
107.04974	0.2
107.08573	8.6
109.06503	0.5
109.10136	10.1
110.10454	0.2
111.04452	0.2
111.08137	0.3
111.11724	0.3
113.09619	0.3
115.03912	3.7
117.06981	0.7
117.46673	0.1
119.08559	7.7
121.06503	0.5
121.10122	8.0
122.10433	0.2
123.04483	0.2
123.08059	0.6
123.11685	6.0
125.05947	0.3
125.09607	2.6
127.03904	0.4
127.07515	0.4
127.11175	2.1
129.05489	0.2
129.06999	0.5
131.08543	2.2
133.04967	0.4
133.06471	0.2
133.10103	7.5
134.10460	0.2
135.08028	1.1
135.11670	8.0
136.11978	0.2
137.06013	0.4
137.09593	0.5
137.13234	2.0
139.07536	0.4
139.11180	0.6
141.12724	0.7
142.07745	0.3
143.08531	1.3
143.09453	0.2
143.10638	3.9
145.10103	4.4
147.04424	0.2
147.08032	0.6
147.11661	4.9
149.09608	0.9
149.13232	3.2
151.11185	0.4
151.14783	0.3
153.09093	0.3
153.12730	0.6
154.26485	0.2
155.08511	0.4
156.09296	0.2
157.10121	1.8
158.10912	0.2
159.08047	0.4
159.11667	4.6
159.12930	0.3
160.12129	0.2
161.09592	1.1
161.13231	4.0
161.14514	0.3
163.07481	0.2
163.11188	0.6
163.14786	2.1
165.09142	0.4
165.12688	0.2
167.10651	0.3
167.14331	0.2
169.10117	0.7
171.11638	2.2
171.13007	0.2
172.12276	0.2
173.09605	0.4
173.13214	3.3
173.14558	0.2
175.11154	0.7
175.14793	2.5
177.05624	0.1
177.09125	0.5
177.12744	0.3
177.16333	1.4
179.10681	0.5
179.14316	0.4
183.11671	1.0
185.13243	2.0
187.11183	0.4
187.14789	2.9
187.16301	0.2
188.15504	0.2
189.12776	0.7
189.16336	3.1
191.10663	0.4
191.14386	0.2
191.17889	2.3
193.12233	0.3
195.11678	0.5
196.12399	0.2
197.13194	1.0
199.11229	0.2
199.14789	1.7
201.12767	0.5
201.16339	2.9
203.14357	0.5
203.17918	2.9
203.19820	0.2
205.12263	0.2
205.15833	0.3
205.19342	0.2
209.13281	0.4
211.14760	0.8
212.25572	0.1
213.12682	0.3
213.16333	1.3
215.14384	0.6
215.17909	1.2
217.12254	0.2
217.15939	0.6
217.19470	0.9
219.13834	0.3
219.17418	0.3
221.13237	0.2
223.14810	0.6
225.16402	0.6
227.14294	0.5
227.17923	0.8
229.15794	0.6
229.19540	0.5
231.13763	0.3
231.17500	0.4
233.15363	0.7
235.14755	0.2
235.16963	0.3
237.16399	0.3
239.14232	0.2
239.17981	0.4
241.15884	0.2
241.19373	0.8
243.17464	0.3
243.21043	0.2
245.15317	0.8
245.19052	0.3
247.16858	1.1
249.18604	0.2
251.11827	0.2
251.17986	0.2
253.19484	0.6
255.17416	0.3
255.21051	1.2
257.19110	0.3
259.16977	0.4
259.20590	0.5
261.22205	0.2
265.19519	0.3
267.21109	0.5
269.22571	0.4
271.20450	0.4
273.18649	0.2
273.21942	0.3
275.20078	0.3
279.11356	0.2
279.20969	0.4
281.19153	0.2
281.22568	0.3
283.20612	0.4
285.18607	0.1
285.22104	0.4
287.23694	0.3
289.21683	0.3
295.20819	0.2
297.22256	0.4
299.20383	0.2
299.23752	0.4
301.21619	0.5
303.23138	0.2
309.22186	0.2
309.25647	0.2
311.23703	0.4
313.21661	0.3
313.25272	0.3
315.23135	1.6
321.25952	0.2
323.27133	0.2
325.25366	0.2
327.23312	0.2
327.26685	0.2
333.25555	0.2
339.26715	0.3
341.24527	0.2
351.26727	0.2
367.30212	0.2
369.27808	0.3
395.29520	0.1
395.33200	1.5
409.34540	0.8
419.32986	1.3
435.32800	0.2
437.34076	4.7
438.34415	0.2
453.33673	0.4
455.35114	6.5
456.35663	0.2
469.08905	0.2
471.34567	0.7
473.36115	2.5
474.36740	0.2
489.35703	4.3
489.42462	0.3
490.36093	0.2
491.37198	0.3
507.37051	0.4
519.34552	0.2
587.39343	5.9
588.39630	0.4
605.40363	100.0
606.40747	6.2
606.50623	0.2
621.40021	1.7
622.23102	0.3
623.41418	7.6
624.41528	0.5
745.31244	0.2
767.45319	0.3
785.46588	0.5
848.97516	0.2
860.75128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5196
Annotation	Astragaloside VI
Peak:m/z	Relative Intensity
67.05494	6.4
69.03419	15.4
69.07066	4.7
69.47012	0.3
69.59982	3.9
71.01349	2.1
71.04980	61.5
71.08595	0.5
72.05318	0.5
72.08155	0.4
72.81942	0.3
72.89521	0.4
72.98312	0.3
73.02905	11.1
75.04464	2.5
79.05479	4.6
81.03387	2.7
81.07046	8.5
81.75408	0.4
83.04965	16.5
83.08601	2.6
85.02891	100.0
85.06519	1.3
86.03203	0.8
87.04452	3.0
89.06030	0.6
91.05457	5.1
93.07030	8.5
93.07577	0.8
95.04953	4.9
95.08592	18.4
97.02874	19.2
97.06506	2.6
97.10163	1.3
98.21414	0.7
99.04440	7.7
99.05038	0.5
99.08089	0.5
99.11404	0.4
101.05977	0.9
103.03947	0.8
103.05421	0.4
105.07008	8.8
107.04945	1.0
107.08576	14.8
109.02864	1.0
109.06487	2.4
109.10139	12.6
109.10864	0.8
111.04425	11.5
111.08086	1.2
111.11687	0.4
113.02364	0.6
113.05993	1.7
115.03911	11.1
115.07571	0.5
116.06201	0.6
117.05475	3.2
117.06989	2.0
119.08559	12.6
119.09392	0.8
121.06541	0.9
121.09245	0.8
121.10126	14.5
123.04420	1.1
123.08049	37.6
123.11693	7.1
124.08408	0.6
125.05990	0.5
125.09592	2.7
127.03905	2.8
127.11220	1.2
128.06256	0.4
129.05461	26.6
131.08540	5.0
133.04987	1.1
133.06502	0.6
133.10104	13.0
135.04425	0.6
135.08058	1.8
135.11678	10.8
137.05966	1.6
137.09596	25.4
137.13231	4.5
139.03856	2.0
139.07529	0.6
139.11201	1.1
141.09093	0.9
143.03450	0.5
143.08545	2.8
143.10680	1.5
144.09378	0.6
145.04930	2.3
145.06592	0.4
145.10109	8.9
147.06522	7.8
147.08035	1.8
147.11658	9.6
149.09647	2.1
149.13234	5.2
151.07532	1.0
151.11189	0.8
153.05498	0.9
153.09093	0.8
155.07045	0.4
155.08548	1.0
156.09334	0.5
157.04971	1.4
157.10127	4.7
159.06619	0.5
159.08092	0.9
159.10310	0.8
159.11662	8.4
161.09631	1.9
161.13248	6.1
163.06033	1.7
163.07510	1.1
163.11215	1.2
163.14761	2.8
165.05473	0.4
165.09143	1.1
165.12845	0.6
167.07072	0.5
167.10704	0.9
169.05051	0.6
169.10120	1.7
171.06543	1.3
171.11664	4.5
172.12477	0.4
173.09590	0.7
173.13213	5.1
175.11180	1.5
175.14789	4.0
175.16150	0.5
177.05441	0.9
177.09082	0.7
177.12859	0.8
177.16356	2.7
179.06978	0.6
179.10600	2.2
179.14291	0.6
182.10910	0.4
183.11659	2.0
184.12300	0.6
185.13245	4.3
187.11206	0.6
187.14798	6.6
189.12834	1.3
189.16327	5.4
191.10664	1.5
191.17917	5.4
193.12209	2.2
195.11668	0.8
197.13234	2.8
199.05995	0.7
199.09634	3.2
199.11136	0.5
199.14816	3.5
201.12810	1.3
201.16365	4.3
203.09152	1.1
203.10791	0.6
203.14359	1.1
203.17859	2.9
205.12209	0.6
205.15927	0.7
205.19484	0.4
207.06566	0.5
207.17523	1.3
209.13266	0.7
211.14879	1.8
213.12840	0.6
213.16351	2.9
215.14391	0.7
215.17979	1.4
217.10672	11.6
217.12561	0.8
217.15970	0.8
217.19522	0.9
219.13705	0.9
223.14825	1.1
225.07544	4.4
225.16379	1.1
227.14346	0.8
227.18022	1.4
229.15941	1.1
229.19553	1.3
231.13841	1.4
231.17369	0.5
233.15320	0.8
239.18027	1.0
241.15810	0.9
241.19440	1.0
243.08574	3.7
243.17351	0.7
243.21130	1.2
245.15440	1.1
247.17020	1.0
251.18036	0.5
253.16104	0.6
253.19479	1.6
255.17372	0.4
255.21056	2.1
257.19061	0.4
261.09711	2.8
265.19467	0.5
267.21167	1.6
269.19067	0.5
269.22714	1.0
271.16901	0.7
273.18637	0.6
273.22189	0.5
279.10788	4.8
281.19092	0.6
285.22247	0.5
289.21725	0.5
293.22577	1.2
295.20541	0.5
295.24124	0.6
297.22110	0.6
299.20294	0.5
301.21667	0.5
309.22421	0.5
310.12723	0.5
311.23901	1.0
313.12659	0.5
313.21548	3.3
315.23297	1.3
321.25861	0.6
323.27328	2.0
327.23318	0.9
331.14029	0.6
339.27036	0.7
349.14847	1.3
349.24988	0.7
357.24121	1.0
363.26898	0.6
365.28351	3.7
367.26413	1.5
383.29385	29.3
384.30042	0.7
385.27426	1.1
393.31866	0.8
399.29379	0.4
401.30484	8.2
403.28241	0.7
417.31143	0.8
423.32236	0.5
435.32626	5.9
437.34186	0.7
441.33499	1.0
453.33630	17.1
454.34067	0.8
455.35223	1.7
456.76315	0.4
471.34619	29.3
472.35214	1.7
473.36374	1.1
489.35715	18.1
490.35919	1.0
491.37430	0.5
493.32742	2.0
507.36945	1.4
511.34155	3.1
529.35480	0.4
547.36298	0.8
585.38019	0.4
587.39111	1.1
603.38806	9.8
605.40350	11.4
606.40894	0.7
621.39911	10.9
623.41779	1.0
643.38348	0.8
661.39374	3.7
679.40698	1.7
731.43530	2.9
749.44580	75.2
750.44965	4.3
767.45581	38.7
768.46277	2.4
785.46802	3.3
911.49902	1.3
929.49957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5194
Annotation	Astragaloside V
Peak:m/z	Relative Intensity
67.05492	4.3
69.07056	3.2
71.01340	0.9
71.04980	15.8
71.08607	0.1
71.44540	0.1
73.02904	7.8
73.06567	0.2
75.04478	0.9
77.03916	0.2
79.05476	3.9
81.03372	0.8
81.07041	9.8
82.07384	0.1
83.04966	3.7
83.08605	1.5
85.02889	20.4
85.06525	1.2
87.04458	0.6
91.05464	4.4
93.07027	10.3
95.04957	1.5
95.08588	12.3
96.08924	0.2
97.02875	4.1
97.06515	1.1
97.10153	1.2
99.04441	1.2
99.08076	1.2
101.06042	0.2
103.03958	0.2
103.05447	0.2
105.04573	0.2
105.07009	10.8
106.07317	0.3
107.04947	0.3
107.08572	13.6
108.08900	0.2
109.02847	0.3
109.06508	1.5
109.10136	13.1
110.10471	0.2
111.04425	3.1
111.08071	1.6
111.11732	0.3
113.09628	0.5
115.03905	2.7
115.05414	0.2
115.88821	0.1
117.05502	0.3
117.06995	2.1
119.04922	0.1
119.08559	12.7
120.08886	0.1
121.06482	1.2
121.10118	11.5
123.04411	0.2
123.08047	1.2
123.11682	7.2
125.05965	0.4
125.09609	4.4
127.03874	0.7
127.07561	0.5
127.11167	3.1
127.12044	0.2
128.06206	0.3
129.05461	3.3
129.06920	1.0
130.07756	0.3
131.08545	6.4
133.04959	0.6
133.06479	0.4
133.10100	12.8
135.08028	1.9
135.11662	5.9
137.05949	0.3
137.09579	1.2
137.13174	0.8
139.03868	0.4
139.07532	0.5
139.11180	1.0
141.06961	0.4
141.12717	1.1
142.07750	0.6
143.08533	2.9
143.10645	4.8
144.09312	0.7
145.02805	0.1
145.04936	0.3
145.06424	0.2
145.10098	10.6
146.10796	0.2
147.04437	0.1
147.06509	0.9
147.08046	0.9
147.11662	9.4
148.12039	0.2
149.09613	1.7
149.13223	4.8
151.07556	0.4
151.11191	1.2
151.14757	0.1
153.09114	0.3
153.12701	0.9
154.07777	0.2
155.08522	1.3
156.09319	0.5
157.04997	0.2
157.10095	4.6
158.10855	0.4
159.08080	0.8
159.11665	12.4
160.12059	0.3
161.05980	0.2
161.09584	1.8
161.13232	8.8
163.03909	0.2
163.07549	0.4
163.11143	1.0
163.14786	1.7
165.05334	0.2
165.07036	0.1
165.09088	0.6
165.12749	0.8
167.10675	0.4
167.14301	0.4
169.04906	0.2
169.10118	1.9
170.10834	0.3
171.06590	0.2
171.07973	0.2
171.11661	3.9
172.12396	0.2
173.09636	0.9
173.13228	7.3
174.13786	0.1
175.11189	1.4
175.14787	4.5
177.05548	0.2
177.09113	0.6
177.12732	1.5
177.16362	1.8
179.10648	1.0
179.14273	0.7
181.10071	0.6
182.10793	0.2
183.11662	2.4
184.12392	0.3
185.09631	0.4
185.13234	3.5
186.13834	0.2
187.11208	0.9
187.14783	5.5
189.12782	0.8
189.16350	3.1
191.10699	0.6
191.14314	0.8
191.17950	0.5
193.12227	0.4
193.15805	0.3
195.11710	1.1
195.13420	0.2
196.12366	0.2
197.09715	0.2
197.13205	2.4
198.13828	0.3
199.11157	0.5
199.14789	3.5
200.15492	0.2
201.12759	0.7
201.16348	4.8
203.10681	0.3
203.14212	0.9
203.17874	1.1
205.12198	0.4
205.15849	1.7
207.06482	0.2
207.11885	0.3
207.13840	0.3
207.17395	0.4
209.13249	1.6
211.11411	0.2
211.14786	2.6
212.15501	0.2
213.12898	0.7
213.16359	3.0
215.14304	1.1
215.17891	2.3
217.12297	0.3
217.15858	1.1
217.19374	0.2
219.13835	0.9
219.17366	1.3
221.13220	0.4
221.15398	0.4
223.14799	1.1
223.16699	0.2
224.15378	0.2
225.07516	0.7
225.12819	0.3
225.16383	1.5
227.14326	0.5
227.17899	1.9
229.12198	0.2
229.15887	1.0
229.19531	0.4
231.13693	0.8
231.17316	0.7
233.13281	0.2
233.15279	1.0
233.18874	0.7
235.14816	0.5
235.17023	0.4
237.16498	0.9
239.14281	0.2
239.17921	0.9
241.15820	0.3
241.19498	1.4
243.08548	0.3
243.13914	0.2
243.17307	0.7
243.21101	0.3
245.15291	0.8
245.19052	0.4
247.14650	0.3
247.16882	1.8
249.16364	0.5
249.18626	0.3
251.18094	0.8
253.15903	0.3
253.19484	1.6
255.17378	0.9
255.21147	0.4
257.15332	0.3
257.18942	0.7
257.22543	0.2
259.16934	0.2
259.20554	0.9
261.09805	0.2
261.16144	0.2
261.18668	0.2
263.17981	0.2
265.19510	0.6
267.17456	0.3
267.21063	1.0
269.19009	0.5
269.22534	0.2
271.17065	0.3
271.20621	0.8
273.18457	1.4
273.22064	0.5
275.20117	0.4
277.19629	0.3
279.10916	0.3
279.17935	0.2
279.21091	0.6
281.19070	0.4
281.22693	0.7
283.17670	0.2
283.20508	0.8
285.18549	0.3
285.22049	0.7
287.20081	0.4
287.23654	0.2
291.20987	0.3
293.22684	0.4
295.20581	0.7
295.23959	0.3
297.22171	0.4
299.20462	0.3
299.23749	0.6
301.21750	1.3
303.23361	0.3
305.22540	0.3
307.20828	0.2
307.24164	0.6
309.22202	0.5
311.20169	0.2
311.23700	0.6
313.21573	1.4
313.25134	0.3
315.23154	0.5
319.23920	0.2
321.22400	0.2
321.25870	0.3
323.23761	0.3
325.21771	0.2
325.25308	0.4
327.23160	0.6
329.24719	0.3
331.22565	0.2
333.25647	0.2
335.27405	0.4
337.25269	0.3
339.26807	0.2
341.24716	0.3
347.26938	0.2
349.25107	0.4
351.26831	0.3
353.24615	0.2
353.28250	1.1
355.26343	0.3
365.28421	0.3
367.26169	0.8
367.30093	0.6
371.25851	0.4
375.30771	0.2
377.28223	1.2
381.31534	0.7
383.29343	0.3
389.32138	0.2
391.30109	0.2
393.31592	1.3
395.29285	2.6
396.29388	0.2
405.31586	0.6
407.33167	0.7
411.32660	0.5
413.30508	2.1
417.31442	1.1
423.32593	2.0
425.33942	0.4
435.32550	3.0
441.33557	1.8
443.35248	0.2
453.33542	7.5
454.34113	0.3
455.34958	0.3
471.34625	15.3
472.35025	0.7
473.36246	0.5
489.35672	100.0
490.36032	3.9
507.36758	10.1
508.37094	0.4
581.38147	0.6
599.39038	0.5
603.38916	3.2
604.39343	0.2
605.40540	0.2
617.40460	0.5
621.39868	56.4
622.40155	2.3
635.41534	0.9
639.30383	0.3
639.40942	5.6
640.41632	0.2
653.42474	1.3
669.42499	1.4
713.41364	0.3
749.44098	0.3
751.46057	0.5
767.45844	1.0
785.46967	0.7
801.45691	0.2
927.78363	0.2
957.56586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.3
69.03419	1.7
69.07062	2.2
70.06565	1.7
71.79278	1.2
72.08096	0.8
79.70638	0.9
81.03403	3.7
83.04974	2.0
85.02891	1.9
88.25797	0.9
94.06557	2.7
95.04957	1.3
98.06155	0.9
99.04449	1.2
101.06033	1.1
106.06535	2.3
108.08102	14.9
109.02863	2.0
114.09144	1.0
118.52919	0.8
120.04372	1.0
120.08090	1.9
120.47646	0.8
122.06013	10.0
122.09662	1.2
124.07574	1.1
127.03911	1.3
130.08675	0.9
132.08102	1.3
134.06013	1.5
136.07587	3.6
138.05437	1.0
140.07057	15.3
146.05986	5.4
147.04358	1.6
148.07565	9.9
150.09145	5.8
152.07056	4.0
154.08685	1.4
160.07516	2.2
162.09138	1.6
163.03923	1.4
164.07043	2.9
164.10727	1.2
166.08632	4.4
167.07294	0.9
172.03993	5.0
172.07646	0.9
174.05458	8.2
174.09143	1.3
176.07027	2.8
177.05495	1.0
178.08646	0.9
190.04977	4.2
192.06566	1.9
201.10249	1.4
204.06529	8.2
206.08105	3.3
208.09705	2.5
210.11502	1.9
211.12267	3.4
221.10721	1.2
222.11488	1.6
223.12328	3.8
224.13104	1.2
225.10188	1.2
225.13841	3.6
226.10928	1.2
227.11720	2.7
231.76181	1.0
234.11353	1.4
235.08704	1.9
235.12270	1.9
236.09317	1.9
236.13065	1.2
237.10266	5.9
237.13811	3.5
238.10936	2.6
239.11755	13.2
240.12469	3.4
241.13333	2.5
243.11258	1.5
247.12222	1.2
248.09384	3.5
249.10237	7.3
249.13910	1.4
250.10843	7.8
251.11772	31.2
252.12520	8.3
253.13287	18.5
254.14001	3.3
263.08853	1.2
263.11758	22.4
264.09067	1.2
264.12457	6.7
265.09689	5.5
265.13327	31.2
266.10483	2.8
266.14047	7.0
267.11316	7.2
267.14578	4.8
268.11829	1.8
268.15903	1.4
269.12842	2.7
274.10797	1.7
275.11743	2.2
276.12503	1.6
277.09732	6.8
277.13300	3.8
278.10391	9.2
279.11249	47.1
280.11911	8.7
281.12823	12.7
282.13550	1.6
283.13873	1.0
285.12323	2.8
287.13818	2.8
289.13458	1.1
290.10355	1.7
291.11307	12.9
292.11844	5.3
293.12805	22.3
294.13547	5.8
295.10757	5.4
295.14355	5.7
296.11353	2.2
297.12299	12.0
298.13074	1.4
299.13809	3.5
305.12698	1.6
307.10687	2.1
309.12277	12.9
310.12921	12.1
311.13846	26.3
311.17462	1.3
312.14505	3.7
313.11700	3.2
313.15427	6.5
319.10751	10.7
320.11478	1.3
321.12286	10.7
323.13861	2.9
325.15442	1.3
328.13882	1.6
331.12946	1.2
335.13928	1.8
336.10623	1.8
337.11786	6.6
338.12485	3.3
339.13358	8.3
341.14825	1.4
344.17505	1.0
345.14423	1.9
351.13297	2.6
353.14932	3.9
354.11743	1.4
357.14700	1.2
369.14355	3.2
370.15463	1.3
371.15848	1.9
374.14624	1.4
379.12610	1.6
379.16879	1.6
380.13367	1.4
381.14154	1.5
383.16034	1.3
395.15936	3.1
399.15854	1.3
400.16470	1.8
409.17755	1.5
411.15286	1.1
413.16898	2.8
416.15652	1.3
419.15930	3.2
423.15329	2.1
425.16824	1.7
427.18533	1.5
431.18231	1.9
435.15314	4.3
436.15979	1.2
437.17108	7.0
438.17764	2.6
439.14471	1.7
440.16016	1.3
441.16418	4.3
442.16885	1.8
443.18246	1.2
445.13995	2.4
446.14749	1.5
446.20142	10.1
453.16519	11.9
454.17386	6.7
455.18201	15.7
456.18689	3.9
457.20068	1.7
460.18747	1.3
463.14966	5.5
464.15552	3.2
465.16354	3.8
467.20334	1.1
471.17432	4.0
472.18356	1.6
473.19370	1.4
481.16025	34.5
482.16733	18.5
483.17581	10.2
495.17569	1.3
499.17136	7.2
500.17740	2.6
501.18323	1.1
513.18805	6.8
514.19104	2.3
515.20166	3.2
520.20325	1.2
573.24249	1.9
586.22034	1.3
596.25702	3.1
599.22278	3.1
600.23297	1.6
602.21191	2.0
604.23322	1.3
617.23352	27.6
618.24255	4.5
619.24683	1.8
622.23987	20.7
624.24780	2.3
636.25098	1.4
640.24561	4.7
649.25873	3.4
654.26465	22.2
655.26520	2.0
656.27252	1.9
672.27106	1.6
714.32727	1.1
722.28992	1.3
725.27667	2.5
732.33405	1.7
740.30084	8.7
743.29095	16.4
757.30798	1.4
758.31189	100.0
759.31213	5.8
761.30493	5.9
775.31775	6.6
779.31207	26.0
780.32050	1.4
790.33807	65.9
791.34760	4.6
793.32709	1.7
811.33868	15.6
879.35718	4.3
897.37689	4.5
911.38483	1.7
915.38239	4.6
929.39355	1.4
947.40771	6.9
948.37482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.7162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	6.6
69.03400	0.3
69.07056	8.4
70.01059	0.4
70.01472	1.0
71.08612	0.4
77.03916	0.5
79.05477	5.2
81.03388	0.3
81.07042	17.6
83.08152	0.5
83.08606	6.7
85.02901	0.4
85.54031	0.2
91.05457	8.0
93.07030	16.0
95.04967	1.3
95.08591	29.7
96.08921	0.4
97.06525	0.5
97.10152	2.8
99.08061	0.3
102.03887	0.3
103.05446	0.4
104.79382	0.2
105.07014	32.5
107.08575	31.1
108.08878	0.4
109.06451	0.7
109.10140	24.2
109.18870	0.3
110.10474	0.4
111.08001	0.3
111.11698	0.6
115.05450	0.3
117.06987	2.4
117.79762	0.3
119.08563	38.0
120.08916	0.3
121.10125	28.6
122.10462	0.4
123.08031	0.5
123.11689	8.6
125.05981	0.4
125.09586	0.5
128.06210	0.3
129.06984	0.9
130.07767	0.4
131.08543	8.7
133.10107	38.4
134.10458	0.5
135.08107	0.4
135.11668	20.3
136.12009	0.4
137.09619	0.3
137.13257	2.5
139.07503	0.3
143.08540	3.0
144.09317	0.5
145.10100	12.7
146.10742	0.3
147.11661	29.5
148.12105	0.4
149.05954	0.6
149.09615	0.6
149.13229	9.2
151.07495	0.6
151.11063	0.6
151.14815	0.7
153.09088	0.4
155.08495	0.6
156.09320	0.3
157.10080	3.4
159.11673	12.0
160.12402	0.8
161.13235	25.1
162.13667	0.4
163.14796	20.1
165.09087	0.6
169.10094	0.8
171.11650	3.2
172.12424	0.6
173.09627	0.3
173.13235	7.2
174.13939	0.8
175.14798	18.5
176.15025	0.5
177.16357	32.7
178.16679	0.7
179.10667	0.7
179.14220	0.5
179.17955	0.4
183.11650	0.9
185.13232	4.9
186.14009	0.3
187.11092	0.5
187.14793	14.2
189.16357	42.9
190.16661	0.8
191.10675	0.6
191.17918	18.2
193.12166	0.5
193.15895	1.5
197.13243	1.1
199.14772	4.8
201.16356	28.1
202.16663	0.4
203.17923	73.7
204.18275	1.3
205.12259	1.3
205.15842	0.9
205.19463	2.3
207.13808	0.3
207.17398	2.4
209.13177	0.4
211.14775	1.0
213.16356	3.5
215.14432	0.6
215.17928	9.1
216.18398	0.3
217.16042	0.3
217.19484	6.2
219.13770	1.5
219.17412	1.2
221.15346	1.0
221.19077	1.2
223.16928	0.4
225.16402	1.7
227.17912	2.4
229.15894	0.5
229.19510	3.6
230.15410	0.3
231.13748	0.4
231.17366	0.7
231.21071	0.9
233.15318	3.3
233.19000	0.5
235.16920	1.4
239.17896	1.0
241.19481	1.7
243.21114	1.2
245.15308	1.0
245.19095	0.4
247.16821	2.5
249.18452	2.1
253.19406	1.3
255.21010	1.7
257.22562	0.6
259.16809	2.2
261.18518	1.3
267.21066	1.1
269.22601	1.3
271.16980	1.8
271.24078	0.4
273.18378	2.4
275.20081	1.3
279.20883	0.3
281.19470	0.3
281.22610	5.2
282.22940	0.3
283.24091	0.4
285.18436	0.6
287.20108	0.4
295.24216	0.4
299.20010	1.1
307.24081	0.3
309.22003	0.4
309.25616	0.5
313.21466	0.4
313.26929	0.3
315.23190	0.4
327.23123	5.3
335.26953	0.5
341.24689	1.4
353.24686	0.4
355.26172	0.6
367.26419	2.1
379.33548	0.5
381.27783	0.7
391.33548	7.7
392.33719	0.4
393.35202	0.5
395.29349	0.3
409.34641	4.8
419.33237	1.3
425.34073	1.8
427.35681	1.4
437.34094	100.0
438.34488	3.5
455.35214	2.2
457.54047	0.3
473.36203	6.5
789.01825	0.4
834.95392	0.3
916.35168	0.3
945.50787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	7.2
69.07056	9.7
69.54857	1.2
69.55283	2.1
71.08606	0.6
77.03899	0.5
77.58562	0.3
79.05475	6.5
81.07043	19.4
83.04938	0.4
83.08155	0.5
83.08606	6.9
91.05453	9.0
91.06018	0.6
93.07029	17.2
95.04932	1.2
95.08591	32.0
97.06528	0.3
97.10149	2.9
103.05417	0.5
105.07010	32.7
107.08575	34.1
109.06500	1.0
109.10136	25.2
111.11678	0.9
115.05427	0.4
116.65352	0.3
117.06982	2.6
119.08562	40.1
120.08879	0.5
121.10125	30.6
123.07999	0.8
123.11687	11.6
125.05950	0.4
125.09577	0.8
128.06184	0.4
129.06969	1.0
130.06502	0.5
131.08549	10.3
133.10107	41.4
135.11667	29.8
137.09557	0.7
137.13235	3.5
143.08543	2.8
144.09167	0.3
145.10103	14.9
146.10719	0.4
147.11658	29.5
149.05962	0.6
149.13234	15.5
151.11154	0.5
151.14784	1.2
153.09058	1.6
156.09331	0.4
157.10118	3.8
159.11668	13.9
160.12430	0.8
161.13228	23.9
162.13560	0.4
163.07494	0.5
163.14792	18.7
165.09106	0.4
167.10541	0.5
169.10077	0.8
169.28191	0.3
171.11661	4.3
173.09573	0.4
173.13228	7.2
174.14003	0.6
175.14798	18.6
176.15063	0.3
177.16353	32.6
178.16676	0.5
179.10587	0.9
183.11653	1.3
185.13248	4.7
186.13870	0.5
187.14786	15.4
188.15469	0.6
189.16353	46.3
191.10545	0.5
191.17915	19.2
193.12143	0.6
193.15852	1.3
197.13235	1.0
199.14787	4.0
200.79427	0.4
201.16356	28.7
202.16656	0.6
203.17917	77.0
204.18269	0.7
205.12173	1.8
205.15881	1.5
205.19467	2.9
207.17416	5.8
209.13223	0.4
211.14801	0.9
213.16367	4.6
215.08075	0.6
215.17935	11.2
217.15878	0.6
217.17589	0.5
217.19481	6.0
219.13823	0.9
219.17418	1.2
221.15315	1.2
221.18974	1.3
223.16983	0.9
225.16335	1.4
227.17931	3.2
229.19463	3.4
231.13846	0.7
231.17395	1.4
231.21013	1.1
233.15364	2.6
233.19009	0.7
235.16920	1.2
239.17885	1.3
241.19437	1.8
243.21095	1.0
245.15282	1.0
247.16879	3.2
249.18437	4.2
253.19453	1.1
255.21167	2.0
257.22565	0.8
259.16858	2.8
261.18396	1.3
267.21097	0.7
269.22714	1.5
271.16818	1.6
273.18588	2.4
275.20050	1.0
281.22635	4.8
285.18390	1.0
299.20087	0.8
309.25571	0.4
313.21500	0.4
321.25760	0.4
327.23117	4.9
335.27402	0.6
341.24667	1.1
349.28979	0.6
353.24884	0.4
355.26382	0.7
367.26306	2.1
381.27725	0.9
391.33511	7.5
409.34662	5.0
419.33011	1.0
425.34256	0.8
427.35684	3.1
437.34094	100.0
438.34402	1.8
455.35065	1.8
473.36182	8.0
756.56616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.7155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05176	0.7
67.05492	8.1
69.03415	1.3
69.06721	0.8
69.07056	8.6
71.08595	0.7
71.78988	0.7
76.78764	0.5
77.03930	0.7
77.22707	0.5
79.05476	5.4
81.03390	1.3
81.07039	18.1
83.04941	1.1
83.08604	6.7
85.02891	0.9
85.06516	0.6
91.03916	0.6
91.05460	6.8
93.07025	14.4
94.07470	0.5
94.08243	0.6
95.04946	1.4
95.08587	39.4
97.02871	0.7
97.06509	1.0
97.10135	3.1
99.08112	0.6
103.05441	0.7
105.07012	18.7
107.04954	0.5
107.08573	34.3
109.06480	1.6
109.10133	24.7
110.10435	0.5
111.08005	1.1
111.11694	0.5
117.06982	1.4
119.08556	31.5
121.10120	29.4
123.08026	1.4
123.11688	9.9
125.09567	1.2
131.08539	6.1
133.10103	29.7
135.08051	0.8
135.10612	0.7
135.11658	18.1
137.09586	2.2
137.13216	3.0
143.08533	1.6
145.10104	11.9
147.11655	24.5
148.12019	0.6
149.09613	1.2
149.13226	16.6
151.11140	1.8
151.14732	1.0
153.09073	3.4
154.82170	0.5
157.10114	1.9
159.11661	11.6
161.09604	0.9
161.13225	15.6
163.11137	5.8
163.14787	17.0
165.09065	1.1
167.10643	2.3
171.11606	2.1
173.13275	6.3
175.11189	1.2
175.14787	15.9
177.12723	1.4
177.16351	28.4
179.10645	0.9
179.14294	3.1
179.18030	0.5
183.11655	0.6
185.13232	2.0
187.14787	15.8
189.16350	61.6
190.16701	1.4
191.14288	1.3
191.17926	12.8
193.12265	1.0
193.15837	0.7
197.13194	0.8
199.14720	1.8
201.16348	12.0
203.17915	85.4
204.18289	1.7
205.15843	48.9
205.19403	5.4
207.17404	25.9
213.16298	2.4
215.17923	5.4
217.15839	1.9
217.19437	2.6
219.17427	2.7
221.15302	0.8
221.18915	2.1
223.16907	1.9
227.17876	1.4
229.19437	2.6
231.17369	3.6
231.21037	2.2
233.18799	1.2
235.16852	3.5
239.17920	0.6
241.19484	2.0
243.20988	0.6
245.18925	1.0
247.16942	2.0
249.18456	14.3
253.06464	0.6
253.19452	0.7
255.21107	1.1
257.22638	0.9
259.16974	0.8
267.21024	1.0
269.22562	0.7
271.24319	0.7
275.19965	0.7
295.24048	1.2
308.65710	0.5
313.25247	0.9
377.33923	0.6
381.35172	1.3
391.33536	8.0
407.14218	0.5
409.34573	100.0
410.35065	3.2
411.36728	1.0
417.16873	0.6
425.34274	0.8
427.35629	14.2
428.36179	0.9
437.34085	25.2
438.34470	0.9
455.35184	12.4
473.36185	92.6
474.36536	2.8
514.39154	1.6
722.59601	0.6
815.95911	0.6
855.45801	6.5
911.36816	0.6
945.48285	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	945.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	3.4
69.03418	6.3
69.07050	2.5
71.01347	1.2
71.04978	58.6
71.55029	0.5
72.05328	0.5
73.02896	2.7
73.06540	0.9
75.04468	5.1
79.00274	0.2
79.05474	3.6
81.03400	2.7
81.07043	7.8
83.04964	10.8
83.05468	0.5
83.08606	2.2
84.05305	0.3
85.02888	100.0
85.06509	2.2
86.03230	1.0
86.06036	0.2
87.04447	2.5
91.03944	0.8
91.05460	4.1
93.07030	7.2
95.04944	1.3
95.07983	0.6
95.08588	10.9
96.08920	0.3
97.02873	8.5
97.06516	0.9
97.10149	2.3
99.04445	2.3
99.08070	2.9
101.02410	0.2
101.05988	0.7
105.07014	6.3
107.04959	0.3
107.08568	17.5
108.08896	0.4
109.02843	2.5
109.06549	1.3
109.10133	9.3
111.04422	7.0
111.08067	0.7
111.11713	0.4
113.09615	0.3
115.03921	0.5
117.05515	0.5
117.06992	0.7
119.08549	6.7
119.09382	0.4
121.06486	0.9
121.10123	12.8
122.10464	0.3
123.04417	0.6
123.08058	0.8
123.11684	5.1
125.05959	0.6
125.08663	0.5
125.09604	11.2
127.03890	7.8
127.07564	1.1
127.11163	1.4
129.05453	33.9
130.05777	0.5
130.08582	0.3
131.08562	2.4
133.10107	6.6
135.04414	0.4
135.08040	4.6
135.11664	8.9
137.05931	0.3
137.09567	2.3
137.13213	1.5
139.03841	0.5
139.11198	0.8
143.08568	0.7
143.10646	16.1
144.10979	0.3
145.04932	6.5
145.10088	6.5
147.06493	14.3
147.11658	5.2
149.09590	7.4
149.10774	0.4
149.13206	3.3
151.11124	1.5
153.05489	0.3
153.12700	0.4
156.09280	0.4
157.10078	1.9
159.11655	5.7
161.09636	0.9
161.13235	3.4
163.06030	1.8
163.07365	0.4
163.11183	0.9
163.14790	2.3
165.07581	0.9
165.12750	0.3
167.10657	0.7
167.14264	0.4
169.04909	0.3
169.10133	0.3
171.06516	0.4
171.11633	2.0
173.13237	2.9
175.11197	0.7
175.14778	2.3
177.05519	0.4
177.12781	0.4
177.16406	1.0
179.14212	0.5
183.11687	0.5
184.12463	0.2
185.13205	1.4
186.13867	0.2
187.11360	0.3
187.14801	3.5
189.12733	0.4
189.16371	3.4
191.14297	0.9
191.17908	15.2
192.18349	0.6
193.15833	0.5
193.19490	0.3
197.13235	0.8
199.14783	1.9
201.13036	0.2
201.16365	3.8
203.14325	0.4
203.17905	3.0
205.15831	0.7
205.19588	0.5
207.17409	0.9
209.13516	0.2
209.15379	0.7
211.14766	0.8
213.07590	0.3
213.16319	1.7
215.14366	0.3
215.17883	1.7
217.15874	4.3
217.19432	1.9
219.13852	0.4
219.17361	0.7
219.20958	0.6
223.14868	0.4
225.07498	0.6
225.16440	0.5
227.17889	1.1
229.15944	0.4
229.19531	0.8
231.08659	0.3
231.17406	4.2
231.21001	0.3
233.15369	2.4
233.19009	0.6
235.16876	2.1
237.07570	1.4
239.18040	0.3
241.19507	0.6
243.17416	0.4
243.21021	0.6
245.18993	0.3
246.77792	0.3
249.18483	2.1
251.18240	0.3
253.19499	0.7
255.08578	2.2
255.21098	0.9
257.18933	0.4
257.22604	1.4
259.20602	0.3
269.22638	0.6
271.20544	0.5
273.09631	3.6
273.12369	0.2
281.22583	0.3
283.20544	0.6
291.10687	0.6
293.12387	0.3
297.22028	0.4
297.25406	0.3
299.23746	0.8
303.23074	0.3
309.11758	5.5
311.23318	0.3
313.25330	0.3
315.26794	0.8
323.27313	0.5
325.11499	0.4
331.43542	0.3
335.27161	1.2
341.28375	1.5
351.30396	1.1
353.28339	0.8
359.29416	0.4
365.28351	0.3
369.31531	1.2
379.29684	0.4
397.34683	0.4
403.33676	0.6
421.34589	13.7
422.34933	0.8
437.34009	0.6
438.34567	0.5
439.35657	47.2
440.36096	1.6
455.35092	0.6
456.35504	0.3
457.36700	47.0
458.37061	2.5
473.36200	0.4
474.36841	0.4
475.37894	1.3
479.34766	0.3
619.41998	6.4
765.46887	1.1
781.47211	3.8
782.47906	1.1
909.52185	1.4
910.51776	0.4
927.52942	12.0
928.53198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5395
Annotation	Khekadaengoside N
Peak:m/z	Relative Intensity
67.05491	4.3
67.99612	0.4
69.03076	0.6
69.03414	7.0
69.07054	3.4
70.06574	1.4
71.01337	1.2
71.04975	58.5
72.05311	0.7
72.55681	0.3
73.02894	3.1
73.06543	0.8
75.04456	4.8
79.05473	4.4
81.03407	3.0
81.06588	0.6
81.07036	8.6
83.04962	15.9
83.08590	2.4
84.05264	0.4
85.02885	100.0
85.06519	2.0
86.03223	1.0
86.06038	0.6
87.04459	2.7
89.03909	0.4
89.06007	0.4
91.03924	0.5
91.05450	4.8
93.07028	8.4
95.04961	3.4
95.08585	12.4
97.02867	8.7
97.06491	1.1
97.10136	2.2
99.04422	3.0
99.08073	2.1
101.02378	0.5
101.05975	1.5
105.07005	7.1
107.04940	1.0
107.08569	17.8
108.08122	0.5
108.08886	0.5
109.02839	3.4
109.06514	2.7
109.10130	9.3
110.06037	0.5
111.04424	8.5
111.08031	1.3
111.11678	0.4
113.05956	0.6
114.09150	0.8
115.03868	0.5
115.05355	0.4
117.05433	1.0
117.07015	0.9
118.61846	0.4
119.04906	0.9
119.07720	0.5
119.08556	7.8
120.08887	0.5
121.06479	1.6
121.09238	0.6
121.10115	12.9
122.05988	0.7
122.10435	0.5
123.04465	0.4
123.08044	19.0
123.11671	6.4
124.08352	0.5
125.09595	9.3
127.03889	8.3
127.07498	1.2
127.11148	1.3
129.05449	31.3
130.08620	0.8
131.04842	0.4
131.08554	3.0
133.06396	0.4
133.10098	6.5
134.10468	0.4
135.08028	4.2
135.11671	8.6
136.06152	0.8
137.05901	2.2
137.09567	3.1
137.13219	2.3
139.03877	0.5
139.11133	1.0
141.05412	0.4
141.09029	0.3
142.07674	0.6
143.08510	1.2
143.10645	11.8
145.02840	0.9
145.04918	5.7
145.10088	6.7
147.04532	2.1
147.06485	13.0
147.07849	0.7
147.11664	5.3
149.09589	7.0
149.13203	3.8
151.03857	1.1
151.11134	1.9
153.05409	0.7
153.12651	0.4
155.08455	0.6
157.10075	2.2
159.06540	0.5
159.07999	0.6
159.11671	6.0
161.05933	0.5
161.09558	1.5
161.13235	4.3
163.03876	0.6
163.05960	2.2
163.07368	0.8
163.11121	1.2
163.14774	2.7
165.07541	0.7
165.09010	0.8
165.12810	0.5
167.06996	1.1
167.10587	0.8
167.14337	0.5
169.04945	0.4
169.10088	0.8
171.06517	1.1
171.11606	1.8
173.09639	0.3
173.13203	3.0
175.07465	0.4
175.11118	0.9
175.14784	2.6
177.05479	1.6
177.12738	0.7
177.16318	1.0
179.10632	2.5
179.14270	0.4
181.04968	0.5
183.11603	0.8
185.13217	1.4
187.14777	3.2
189.08972	0.4
189.12715	0.6
189.16359	3.4
191.06966	0.4
191.14279	0.7
191.17908	14.7
192.18271	0.5
196.32545	0.4
197.13170	1.3
199.14777	1.8
201.07445	0.4
201.16359	4.1
203.14197	0.8
203.17921	3.2
205.15814	0.9
207.06487	1.1
207.17422	0.9
209.13326	0.4
209.15240	0.9
211.14635	1.0
212.16782	0.4
213.16373	2.4
215.14217	1.1
215.17850	1.7
217.15837	3.1
217.19368	2.2
219.17360	0.6
225.07458	0.8
225.16212	0.7
227.17824	1.1
229.15814	1.2
229.19470	0.8
229.56976	0.4
231.04765	0.4
231.17361	3.6
231.21004	1.1
233.15317	2.2
233.18932	0.7
235.16791	1.2
237.07536	0.9
237.09955	0.6
239.09071	1.7
239.11487	0.6
240.12149	0.4
241.19453	0.5
243.17369	0.5
243.20941	1.0
245.18930	0.5
247.16760	0.6
249.18460	1.7
251.11794	1.0
255.08609	2.5
255.20993	1.2
257.10126	0.7
257.22559	2.3
259.20432	0.4
263.11710	0.7
265.13275	1.1
269.22495	0.5
271.20483	0.4
271.23929	0.4
273.09555	2.5
274.71686	0.4
275.11148	1.0
279.11105	2.6
285.12155	0.4
285.22134	0.6
291.10715	0.6
293.12558	1.6
295.24207	1.0
297.12134	0.4
299.23569	0.4
309.11780	4.5
310.12567	0.5
311.13623	0.6
315.26584	0.7
323.27362	0.8
325.11288	0.5
327.12424	0.4
335.27185	0.6
341.28183	1.5
349.28711	0.5
351.26447	0.4
351.30423	0.6
353.28052	0.4
367.29971	0.8
369.31644	0.8
377.15192	0.3
385.30484	0.4
403.33395	0.8
419.32651	0.6
421.34592	10.2
422.34821	0.4
437.28525	0.5
437.34015	6.0
438.33972	0.6
439.35651	36.4
440.35889	2.9
455.35156	11.3
456.35095	1.6
457.36694	33.6
458.37100	2.2
459.27768	0.4
473.29865	0.6
473.36172	9.8
474.36050	1.1
475.37241	1.2
477.27252	0.5
483.17218	0.5
487.34070	0.4
489.35263	0.6
566.22937	0.4
583.39209	0.4
617.39880	1.2
618.24799	0.5
619.41809	5.6
622.22949	0.5
635.41638	2.3
636.24628	0.9
651.22314	0.5
701.55090	0.3
717.87903	0.4
763.46027	6.6
764.45654	1.0
765.46698	1.3
766.47577	0.5
781.47241	10.3
782.46649	1.3
790.26550	0.9
909.51630	3.9
910.51093	0.8
914.34351	0.6
927.53058	10.6
928.51447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.54
Annotation	Khekadaengoside N
Peak:m/z	Relative Intensity
67.05484	6.6
68.41193	0.6
68.53149	0.6
69.03416	6.8
69.07053	3.3
71.01337	2.1
71.04978	73.2
73.02917	3.9
73.06555	1.1
75.04465	4.8
79.05475	4.4
81.03394	1.9
81.07039	12.7
81.47195	0.7
83.04964	29.5
83.08613	2.7
85.02888	100.0
85.06516	3.3
86.03240	0.8
87.04467	2.8
91.03912	0.5
91.05454	5.6
93.07025	11.8
95.04961	5.0
95.08585	13.6
97.02879	4.6
97.06516	2.2
97.10155	4.2
99.04464	3.0
99.08076	5.3
101.05988	1.1
103.03901	0.8
105.07012	11.9
107.04934	1.0
107.08572	22.5
109.02869	2.6
109.06509	2.3
109.10138	11.2
111.04422	19.5
111.08073	2.7
113.05975	1.6
117.05479	1.1
117.06982	1.5
119.08556	11.1
121.06468	2.1
121.10121	16.8
123.04398	0.5
123.08017	1.6
123.11681	4.7
125.05969	1.4
125.09605	16.8
127.03886	4.7
127.07510	1.4
127.11160	2.4
129.05458	26.1
130.05788	0.8
131.08531	6.3
133.06532	0.5
133.10101	12.9
135.08018	8.2
135.11685	5.4
137.05972	1.0
137.09579	4.0
137.13268	1.4
139.11157	1.0
143.08548	1.8
143.10646	29.7
144.09247	0.8
145.04936	2.1
145.10101	12.7
147.04373	0.9
147.06494	8.9
147.07893	1.1
147.10553	0.8
147.11662	12.1
149.05908	0.7
149.09584	12.4
149.13229	12.8
151.11237	3.1
153.05452	3.6
157.04932	1.4
157.10091	5.0
158.10962	0.7
159.06381	0.9
159.11656	10.1
161.09586	1.7
161.13222	12.8
163.05954	1.3
163.11183	2.0
163.14763	2.9
165.12749	0.7
167.10638	0.8
169.10136	1.4
171.06509	1.9
171.11679	4.0
173.13234	7.2
174.65677	0.6
175.07578	0.7
175.11180	1.5
175.14815	5.1
177.05467	0.6
177.12637	1.0
177.16350	5.9
179.06935	0.6
179.14310	0.9
183.06534	0.7
183.11667	1.0
185.13190	3.0
187.14761	5.2
189.12709	1.2
189.16347	10.2
191.14261	1.8
191.17990	1.3
193.08482	0.7
195.11464	0.7
197.13199	1.9
199.14828	3.8
201.07565	1.0
201.12727	0.6
201.16376	4.9
203.14275	0.9
203.17918	2.3
205.15868	3.4
207.17413	3.8
209.13301	1.1
209.15288	1.2
211.14784	1.3
213.16342	4.3
215.14258	1.4
215.17862	4.1
217.10690	1.7
217.15826	6.0
217.19411	0.8
219.17329	1.1
223.14807	0.8
223.16858	0.6
225.16252	0.8
227.17805	1.7
229.15724	1.0
231.17415	6.8
233.15331	3.5
233.18834	1.3
235.16934	1.4
237.16080	0.5
239.09096	8.4
239.17853	0.9
241.19418	1.5
241.47528	0.5
243.17368	0.7
243.20995	0.7
245.18837	0.9
249.18396	2.1
253.19481	1.2
255.08514	1.6
255.21066	1.0
257.10095	3.7
257.18918	0.7
265.19339	0.7
267.21118	0.8
269.22382	0.9
272.91928	0.6
273.09589	1.8
273.22052	0.9
275.11197	3.5
285.21875	1.1
293.12335	3.8
293.22632	1.0
297.22028	0.9
299.23517	1.1
307.24176	0.7
309.11707	1.3
309.25543	0.8
311.23636	0.8
333.25620	0.9
339.26602	1.0
351.26581	1.1
357.27536	0.7
363.26587	0.9
367.29956	1.4
379.30005	3.3
385.30978	0.7
395.32953	0.7
397.30887	5.6
398.31094	0.8
407.33118	3.0
419.33002	6.1
425.34155	6.3
437.34055	23.7
438.34262	1.9
443.98956	0.6
455.35144	58.6
456.35345	3.7
457.36203	0.6
471.34619	0.9
473.36194	69.1
474.36523	5.0
491.36929	2.5
548.00049	0.6
583.40155	1.2
601.41119	3.4
617.39661	1.6
619.41968	32.0
620.41663	2.4
635.41437	29.8
636.42047	2.9
637.42657	0.9
763.45099	1.7
781.47174	24.8
782.46643	2.3
909.53125	1.0
927.52527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	3.3
69.03415	6.3
69.03770	0.5
69.07056	2.5
71.01344	0.8
71.04978	57.6
72.05289	0.4
73.02901	2.6
73.06554	0.5
75.04461	5.3
79.05473	3.5
81.03411	3.1
81.07040	8.3
83.04964	10.3
83.08604	2.9
85.02888	100.0
85.06515	2.1
86.03220	1.2
86.06054	0.7
87.04460	2.0
87.73952	0.3
89.06032	0.6
91.03947	0.7
91.05450	4.4
92.29089	0.3
93.06424	0.3
93.07021	7.2
95.04940	1.8
95.08584	12.3
97.02874	8.6
97.06506	0.6
97.10154	2.5
98.06001	0.3
99.04442	2.2
99.08078	3.3
101.06007	0.8
105.07019	6.1
107.04925	0.5
107.08572	17.4
108.08897	0.3
109.02869	2.7
109.06490	1.0
109.10134	10.2
111.04424	7.1
111.08048	0.7
113.09642	0.4
117.05432	0.4
117.06994	0.7
119.08553	7.2
121.06514	0.9
121.09246	0.6
121.10117	11.9
123.08026	0.6
123.11685	5.7
123.12500	0.5
125.05988	0.6
125.09607	11.8
126.09969	0.3
127.03887	8.5
127.07540	1.3
127.11159	1.7
129.05452	33.9
130.05829	0.4
130.07770	0.5
131.08539	2.4
133.10110	7.0
135.08028	4.8
135.11664	8.6
137.05984	0.4
137.09612	1.7
137.13225	2.3
139.11154	0.8
143.08543	1.1
143.10648	17.7
144.09332	0.3
145.04938	7.0
145.10089	5.9
147.06493	16.0
147.11650	4.7
149.05971	0.3
149.09590	7.7
149.13226	3.2
151.11159	1.5
157.10109	1.9
159.11670	5.3
161.09630	1.1
161.13232	4.1
163.06003	2.5
163.11176	1.1
163.14818	2.2
165.12723	0.5
167.10641	0.8
169.04990	0.3
169.10037	0.5
171.06461	0.5
171.11646	2.0
173.09563	0.3
173.13255	2.7
175.11169	0.5
175.14774	2.5
177.12767	0.6
177.16362	1.1
179.14207	0.5
183.11703	0.4
185.13257	1.2
187.14771	3.5
189.12741	0.4
189.16342	4.0
191.14288	1.1
191.17908	15.5
193.15846	0.4
193.19453	0.3
195.06436	0.4
197.13283	0.8
199.14735	1.7
200.93509	0.3
201.16338	3.8
203.14290	0.6
203.17891	3.7
205.15897	1.0
207.17450	1.2
209.15366	0.9
211.14792	0.3
213.16393	2.2
215.14368	0.6
215.17918	1.5
217.15894	3.8
217.19414	1.9
219.13831	0.3
219.17459	0.7
219.21024	0.4
225.07579	0.5
225.16318	0.6
227.17955	0.9
229.15843	0.6
229.19458	0.7
230.02158	0.3
231.08623	0.4
231.17397	4.3
233.15306	2.1
233.18935	0.6
235.16861	2.3
237.07544	0.9
237.16342	0.3
239.09258	0.4
241.19609	0.6
242.71207	0.3
243.08652	0.4
243.21117	0.8
245.19022	0.6
249.18500	2.1
255.08577	3.6
255.21069	0.5
257.22498	1.3
259.20401	0.4
261.18500	0.4
267.20947	0.4
269.22635	0.8
273.09634	3.7
273.22037	0.3
281.22559	0.4
287.23709	0.4
291.10736	0.5
293.12366	0.3
295.24338	0.5
299.23660	0.7
301.21545	0.3
305.24991	0.3
309.11765	5.3
313.25238	0.3
315.23367	0.3
315.26654	0.6
317.24350	0.3
323.27209	0.6
325.11285	0.6
329.24765	0.4
335.27112	0.9
341.28259	1.5
351.30405	0.8
353.28342	0.5
359.29675	0.6
369.31436	1.1
403.33475	1.0
421.34589	15.2
422.34625	0.3
437.34454	0.5
439.35648	48.1
440.36105	2.0
455.35181	0.6
456.35489	0.4
457.36694	49.1
458.37097	2.1
473.36575	0.4
475.37744	1.2
501.81320	0.3
619.41864	6.8
765.47583	0.9
781.46973	3.6
782.47217	0.5
909.51337	1.9
927.53027	14.2
928.53925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5242
Annotation	CHEBI:68377
Peak:m/z	Relative Intensity
65.87498	0.5
67.05494	14.8
69.03416	6.4
69.07053	14.9
69.96145	1.2
69.96554	2.3
70.06560	1.6
71.01360	1.5
71.04979	56.9
72.05322	1.2
73.02908	3.9
75.04464	5.5
77.03916	1.0
79.05476	8.3
81.03413	4.1
81.07040	27.4
83.04962	23.2
83.08615	2.9
84.56962	0.6
85.02888	100.0
85.06523	1.3
86.03202	1.2
86.06012	0.6
86.09698	0.8
87.04468	2.9
91.03943	2.1
91.05457	9.4
93.07027	20.0
95.04947	5.8
95.08589	23.1
97.02880	7.8
97.06511	5.0
97.10145	4.0
99.04442	2.9
99.08072	6.2
101.06000	0.9
103.03940	0.8
103.05457	0.7
105.04495	0.7
105.07013	20.9
107.04954	1.7
107.08572	27.6
108.08046	0.5
108.08863	0.7
109.02844	3.4
109.06509	3.7
109.10135	35.1
111.04425	16.8
111.08077	5.7
113.05991	1.8
114.18576	0.6
115.03902	1.1
115.05447	0.7
117.05527	0.6
117.06997	3.2
119.04925	1.1
119.07710	1.2
119.08559	21.8
121.06448	2.9
121.10116	18.2
121.10952	1.1
123.04382	0.9
123.08064	2.5
123.11684	16.2
125.05975	0.7
125.09602	9.8
127.03906	5.1
127.11195	1.4
128.06187	0.7
129.05455	26.2
129.06862	2.7
131.08540	12.5
133.06549	0.8
133.10098	18.8
135.08044	3.2
135.11665	13.0
137.05977	1.2
137.09601	2.9
137.13264	3.0
139.03850	0.6
139.07538	1.1
139.11153	2.0
141.06990	0.9
142.07791	1.2
143.08528	6.9
143.10654	5.7
145.02922	0.8
145.04951	3.8
145.06502	0.7
145.10104	18.0
147.04382	7.3
147.06509	9.6
147.08023	1.8
147.11662	14.6
149.05960	0.9
149.09596	4.1
149.13242	8.9
151.03905	0.8
151.07513	1.3
151.11186	2.0
151.14836	0.8
153.05450	1.5
153.12714	0.9
155.08521	2.5
156.09300	0.8
157.10094	9.4
158.10800	0.7
159.06599	0.9
159.08047	2.3
159.10341	1.1
159.11661	16.6
161.09607	2.0
161.13228	13.2
163.03902	1.0
163.05995	1.5
163.07555	1.6
163.11201	2.5
163.14717	3.3
165.07652	0.8
165.09113	1.5
165.12726	1.1
167.08487	0.8
167.10684	0.9
168.09315	0.6
169.05069	0.6
169.10060	4.1
170.10847	0.6
171.06522	1.6
171.07974	0.7
171.11679	6.8
173.09653	1.3
173.13226	11.2
175.11198	2.2
175.14790	7.0
176.19368	0.6
177.05530	1.5
177.09155	1.5
177.12766	2.4
177.16347	3.1
179.10635	1.6
179.14284	1.3
181.10136	1.7
183.11615	4.1
185.09549	0.7
185.13219	7.4
187.11140	1.9
187.14775	10.4
189.09125	0.7
189.12758	1.6
189.16322	5.1
191.10631	0.9
191.14313	1.2
191.17973	2.5
193.10141	0.7
193.15608	0.6
195.11691	2.8
195.13623	1.0
197.13219	4.7
199.11145	1.0
199.14798	6.2
201.07527	0.8
201.12796	1.5
201.16359	7.6
203.10692	0.8
203.14297	2.2
203.17957	3.2
205.12228	0.7
205.15771	2.9
207.17438	1.1
209.13269	2.7
210.13914	0.7
211.14796	3.6
213.12758	1.3
213.16347	4.9
215.14328	2.5
215.17921	2.8
217.12167	1.1
217.15916	2.1
219.13768	1.1
221.13326	1.0
221.15286	0.7
223.14803	1.6
225.12741	0.9
225.16425	2.2
227.14265	0.7
227.18051	2.8
229.15942	1.8
229.19435	1.3
231.13728	1.4
231.17430	1.4
233.15401	1.9
235.14812	0.8
236.15665	0.5
237.16451	2.4
239.09122	3.4
239.17981	2.6
241.19380	3.8
243.13889	0.7
243.17419	0.6
245.15338	2.3
247.16980	3.4
249.16414	0.9
251.17967	1.9
253.19408	2.8
254.20160	0.6
255.08482	2.6
255.17503	1.4
255.21001	1.0
257.10184	1.7
257.15518	0.7
259.17023	0.9
259.20551	2.5
265.19443	1.6
267.21072	1.3
269.19101	1.7
269.22891	0.6
271.07516	1.2
271.17056	0.9
271.20639	1.8
273.09756	1.7
273.18561	1.7
273.22183	0.7
275.11267	2.6
279.21130	1.4
281.19440	0.9
281.22427	2.7
283.20575	1.4
283.24167	1.8
285.18491	0.8
285.22348	0.6
287.20074	1.1
289.09177	0.7
291.20868	1.5
293.12329	2.6
293.19507	0.7
293.22659	2.4
295.20700	1.0
295.24088	1.0
297.18735	0.8
297.22070	1.9
299.20419	1.1
299.23730	3.3
301.21667	1.4
302.00839	0.6
307.24069	0.6
309.11966	3.8
309.22183	2.3
309.25604	0.8
311.20193	1.1
311.23572	6.3
313.21564	2.0
313.25131	1.1
315.23242	1.0
319.24338	0.7
321.25888	0.6
323.23633	0.9
325.25122	1.0
327.23169	2.2
329.21246	0.7
329.24857	2.1
331.22559	0.7
335.23651	0.7
335.27576	0.6
337.25098	0.6
339.26993	1.0
349.29135	0.6
353.24841	1.6
355.26279	1.8
357.28040	0.7
361.25381	1.0
367.25958	2.6
369.28006	1.2
377.28339	2.3
385.27393	2.5
389.27087	1.0
389.32047	0.9
393.31638	1.2
395.29330	4.3
403.28278	0.9
405.31454	2.7
407.27954	1.3
407.32974	8.3
409.34714	0.7
415.28424	0.6
417.31403	4.3
423.32437	5.9
425.34042	16.2
433.29364	0.8
435.26523	0.7
435.27768	0.3
435.32523	16.8
437.34186	4.4
441.33496	4.5
453.33569	39.4
454.34091	0.9
455.35123	8.1
469.33115	0.8
471.34631	39.9
472.35086	1.7
473.36218	11.2
487.33643	0.8
489.35672	27.6
545.36334	0.9
563.37524	3.4
581.38055	2.8
599.38855	3.3
615.39331	0.9
617.40356	6.5
633.39783	8.3
634.40820	0.9
635.41400	5.2
651.40930	21.1
652.41187	0.8
779.45563	13.6
781.47125	1.3
797.46307	3.2
925.51117	3.1
943.51581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5247
Annotation	CHEBI:68377
Peak:m/z	Relative Intensity
67.05496	7.6
69.01231	0.4
69.03413	5.2
69.07058	6.0
69.90550	0.5
70.06588	0.7
71.01352	2.0
71.04980	60.1
71.79557	0.6
73.02899	4.4
75.04469	5.4
79.05476	4.1
81.03423	3.2
81.07042	12.1
83.04965	26.0
83.08592	2.9
85.02890	100.0
85.06548	0.9
86.03220	0.5
86.06043	0.4
86.09650	0.5
87.04460	2.6
91.03938	1.4
91.05460	5.5
93.07029	11.1
95.04958	4.2
95.08590	20.6
97.02875	6.3
97.06504	3.2
97.10159	1.2
99.04445	3.3
99.08067	1.4
101.06016	0.8
103.03912	0.5
103.05369	0.5
105.07014	10.8
107.04920	1.5
107.08572	15.4
109.02863	1.6
109.06505	2.0
109.09386	0.9
109.10139	18.1
111.04427	11.7
111.08073	0.8
111.11707	1.0
113.06003	1.5
113.09633	1.2
114.09161	0.7
115.05391	0.4
117.05478	1.5
117.07012	2.0
119.04924	1.1
119.08551	12.9
121.06507	2.6
121.10123	13.9
123.04424	1.1
123.08045	7.3
123.11684	7.7
125.06004	0.7
125.09611	3.9
127.03890	5.1
127.11176	3.7
129.05455	29.7
129.07008	1.6
131.08559	5.8
133.06445	0.7
133.10098	12.0
135.04323	0.7
135.08023	2.2
135.11671	15.0
136.06194	0.5
137.05962	1.3
137.09593	27.8
137.13208	5.1
139.03893	0.6
139.11147	0.7
141.05435	0.5
141.06880	0.5
141.09056	2.7
142.07799	0.7
143.08533	4.2
143.10646	1.7
145.02797	0.9
145.04935	2.9
145.06485	1.0
145.10109	8.4
147.04449	1.1
147.06497	10.4
147.07982	1.5
147.11658	9.4
149.05965	0.6
149.09578	1.2
149.13228	5.8
151.03908	0.8
151.07503	0.8
151.11150	1.2
151.14763	0.6
153.05428	1.9
155.08519	1.6
156.09282	0.6
157.05002	0.5
157.10112	5.7
159.08008	1.5
159.10318	0.7
159.11650	8.4
161.09624	2.5
161.13223	6.3
163.03838	0.6
163.05978	2.0
163.07401	0.8
163.11160	1.9
163.14821	3.4
165.07056	0.4
165.09012	0.6
165.12801	0.5
167.07056	0.7
169.10066	2.4
170.10814	0.5
171.06474	1.2
171.11636	4.4
173.09621	1.9
173.13240	6.0
175.07553	0.6
175.11118	1.9
175.14790	4.3
177.05411	1.8
177.12715	0.9
177.16359	2.7
179.10622	1.9
179.14249	1.3
181.04985	0.7
181.10075	1.0
183.06554	0.6
183.11649	3.2
185.09534	0.8
185.13228	3.8
187.11154	1.8
187.14792	6.0
189.12688	1.9
189.16357	4.5
191.10555	0.7
191.14223	1.1
191.17911	4.9
193.12222	0.7
195.11641	1.2
196.12454	0.5
197.13280	2.6
199.11111	0.8
199.14766	2.9
201.07513	0.6
201.12697	1.3
201.16347	4.1
203.10693	0.5
203.14258	0.9
203.17952	3.8
205.12206	0.5
205.15884	0.7
207.06450	1.0
207.11609	0.5
207.17395	1.1
209.13229	2.2
211.14757	1.9
213.07399	0.7
213.12677	0.9
213.16331	2.5
215.14267	1.4
215.17921	1.5
217.10515	0.9
217.15773	0.9
217.19415	0.8
219.13684	0.5
219.17288	0.6
221.13264	0.5
223.14816	1.1
225.16212	1.7
227.14226	0.8
227.17911	1.7
229.12256	0.6
229.15822	1.3
229.19360	0.9
231.13734	0.8
231.17390	0.8
233.15289	1.2
235.14743	0.8
235.16821	0.7
237.16269	1.3
239.09113	4.3
239.17868	1.4
241.15845	0.6
241.19440	1.7
243.17384	1.1
243.21043	4.4
245.15298	1.1
247.16852	1.3
251.17903	1.0
253.19463	1.9
255.08513	1.6
255.20964	1.6
257.10034	1.2
257.19058	0.5
261.21988	0.9
267.17670	0.5
267.20813	1.2
269.18961	0.7
269.22366	0.7
271.16949	0.5
271.20490	1.1
273.09677	0.7
275.11154	2.0
279.10983	0.6
280.11609	0.5
281.18933	0.5
281.22604	1.5
283.20569	0.9
283.24045	1.6
285.18704	0.5
285.22031	1.9
293.12210	1.5
293.22491	3.1
295.24060	1.7
297.22009	0.7
301.21411	0.9
303.23102	1.0
309.11713	2.4
309.22110	0.5
311.23633	3.3
313.21506	1.5
313.24994	0.8
314.39810	0.5
315.23053	1.5
321.25516	1.3
323.27133	0.5
327.23102	0.6
329.24380	0.7
333.25500	0.8
337.25302	0.5
339.22995	0.6
339.26682	1.2
347.27136	0.6
349.25070	1.6
349.28812	1.0
351.26608	1.3
357.23969	1.4
358.15009	0.5
363.26740	1.1
365.28207	1.5
367.26056	1.2
369.27466	0.6
381.27676	1.1
383.29190	2.0
387.28580	0.7
393.31308	0.7
395.33069	1.2
398.15051	0.8
400.16550	0.6
401.30890	1.1
407.32916	3.8
409.34555	1.1
417.31161	0.8
419.33054	6.6
423.32364	1.0
425.34048	6.7
435.32486	6.9
437.34082	18.9
438.34262	0.7
439.35657	0.6
441.33566	1.1
443.35175	2.1
453.33594	20.4
455.28726	0.7
455.35156	22.6
471.34665	26.7
472.34778	0.8
473.36203	16.2
489.35672	25.3
599.39172	0.7
617.40271	4.4
633.39667	3.1
635.41425	11.1
651.40936	10.7
656.27063	0.6
707.25586	0.7
743.27905	0.9
761.44012	0.9
763.33203	0.6
763.46063	11.2
779.45551	14.5
781.47235	7.0
797.46729	24.3
798.45618	0.9
911.33459	0.8
925.51202	5.6
943.48700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5248
Annotation	Jujubasaponin IV
Peak:m/z	Relative Intensity
67.05494	9.3
69.03423	7.2
69.03786	0.4
69.07058	6.7
70.06573	0.4
71.01337	2.0
71.04984	62.4
71.08624	0.4
71.12794	0.7
71.13139	0.6
73.02904	4.3
75.04468	5.3
77.89393	0.4
79.05476	5.6
79.05855	0.5
81.03410	3.4
81.07047	14.0
83.04970	21.6
83.08622	2.6
84.08151	0.4
85.02894	100.0
85.06535	0.9
86.03235	1.1
86.06052	0.5
87.04462	2.7
89.06013	0.6
91.03968	0.9
91.05458	6.6
93.07034	12.8
95.04958	4.3
95.08593	22.1
97.02882	8.3
97.03460	0.7
97.06497	2.6
97.10149	2.3
99.04436	2.8
99.08078	1.5
101.05996	1.1
103.03932	0.9
103.05457	0.7
105.07010	10.9
107.04961	0.9
107.08578	18.1
107.19975	0.4
109.02872	2.6
109.06517	3.5
109.10143	23.3
111.04431	10.9
111.08060	1.3
111.11716	1.0
113.05984	1.7
113.09612	1.4
115.03899	0.6
115.05418	0.4
117.05484	1.5
117.07011	2.1
119.08567	16.0
121.06519	2.2
121.10128	15.8
122.07312	0.6
123.04457	0.7
123.08057	6.0
123.11688	10.9
125.05949	0.8
125.09595	4.3
127.03904	4.9
127.11179	6.1
128.06180	0.6
129.05464	30.1
129.07010	1.4
130.05734	0.5
130.08649	0.5
131.08557	6.0
133.10114	14.4
135.04437	0.5
135.08038	2.8
135.11679	14.1
137.05939	1.4
137.09598	22.3
137.13216	6.2
139.03868	0.4
139.07547	0.5
139.11223	1.1
141.07031	0.9
141.09073	2.1
141.12735	0.5
142.07715	0.5
143.08549	4.2
143.10645	1.5
145.04933	3.0
145.06445	0.8
145.10106	9.0
147.04372	0.9
147.05342	0.5
147.06494	9.5
147.08015	1.5
147.11656	9.9
149.09621	2.1
149.13237	7.8
151.03877	0.9
151.11153	1.2
151.14862	0.6
153.05481	1.9
153.09120	0.6
153.12740	0.6
155.08521	1.6
155.10609	0.8
156.09311	1.0
157.04945	0.7
157.10126	6.5
159.06583	0.5
159.08032	1.5
159.10332	0.9
159.11664	10.2
161.09634	2.8
161.13242	7.6
163.03883	0.7
163.05981	2.0
163.07297	0.8
163.11165	1.4
163.14799	3.7
165.07600	0.5
165.09058	0.5
165.12737	0.6
167.07056	0.7
169.10086	2.6
170.10818	0.8
171.06511	1.5
171.11691	5.1
172.12390	0.5
173.04434	0.4
173.09575	1.6
173.13232	6.6
174.05469	0.4
175.07559	0.7
175.11169	1.7
175.14795	5.1
177.05481	0.8
177.12692	1.1
177.16379	2.9
179.10637	1.6
179.14258	0.9
181.04922	0.6
181.10068	0.8
183.11655	3.6
184.12228	0.4
185.09651	0.6
185.13245	5.6
187.11110	1.3
187.14809	5.6
188.09016	0.4
189.12682	2.1
189.16364	5.7
191.10652	0.6
191.14221	1.2
191.17926	6.0
193.12132	0.5
195.06534	0.4
195.11781	1.9
195.13530	0.6
196.12384	0.4
197.09499	0.5
197.13210	3.8
199.11154	0.8
199.14781	4.2
201.07402	1.0
201.12711	1.0
201.16360	5.0
203.14258	1.5
203.17943	4.0
205.12155	0.5
205.15800	0.4
207.13562	0.5
207.17329	0.8
209.13269	1.5
210.13918	0.5
211.14777	3.0
213.07529	0.8
213.12660	0.9
213.16356	2.8
215.14281	2.2
215.17924	2.3
217.15773	1.4
217.19499	1.1
219.13765	0.7
223.14752	1.7
225.16304	1.5
227.11853	0.9
227.14058	1.0
227.17882	2.6
228.18553	0.5
229.15776	1.8
229.19449	1.5
231.13692	1.0
231.17380	0.7
233.15286	1.4
235.14749	0.7
237.16295	1.2
239.09155	3.5
239.11382	0.7
239.17883	1.5
241.15768	0.9
241.19476	1.6
243.17381	0.7
243.21053	3.8
245.15233	0.8
245.19095	0.7
247.16878	1.8
251.11862	0.6
251.17702	0.6
253.15663	0.5
253.19582	3.0
255.08495	1.7
255.17279	0.9
255.21121	2.1
257.10135	1.0
257.18967	1.3
257.22589	0.7
259.16956	0.7
259.20428	0.8
261.18552	0.6
261.22031	0.7
265.19507	1.1
267.21039	1.1
269.15454	0.4
269.18756	0.7
269.22543	0.9
271.20529	0.8
273.09598	1.0
273.22134	0.7
275.11063	1.1
279.11075	0.7
279.21017	0.9
280.11472	0.5
281.22592	1.0
283.20435	0.9
283.24130	1.6
285.19019	0.6
285.22025	3.0
287.20053	0.7
287.23376	0.5
293.12210	1.6
293.22662	3.1
295.20633	0.7
295.23935	1.0
297.22095	0.9
299.19986	0.9
299.23251	0.4
301.21500	0.8
303.23123	0.8
305.22543	0.5
309.11780	2.1
309.22305	0.4
311.23709	3.2
313.21576	0.5
313.25113	0.8
315.23093	1.9
321.25565	1.3
323.27060	0.6
327.23105	0.6
329.24658	0.9
333.25290	0.7
337.25174	0.5
339.26801	0.9
347.27307	0.8
349.24924	0.9
349.28714	1.6
351.26624	1.7
357.23996	1.3
363.26776	0.6
365.28253	1.1
367.26147	1.0
367.30154	0.5
369.27695	1.0
377.32123	0.6
381.27518	0.8
383.29501	1.9
387.28564	0.5
389.31702	0.7
393.13037	0.4
393.31320	0.6
395.32928	1.1
399.15356	0.5
399.28479	0.4
400.16159	0.8
401.31323	0.8
407.33185	4.0
409.34415	1.3
411.32327	0.9
413.17047	0.6
417.31296	0.6
419.33020	9.3
425.28696	0.5
425.34116	8.4
435.32520	5.8
437.34116	25.0
438.34207	1.2
439.35605	1.0
441.33252	0.9
443.35254	2.7
443.77701	0.5
453.33606	17.0
454.34085	0.7
455.35172	28.8
456.35654	2.0
465.27814	0.7
471.34680	19.8
472.35178	0.5
473.36224	21.5
474.36243	0.9
489.35693	17.0
574.13104	0.5
599.22577	0.4
599.38806	0.5
611.33618	1.0
615.38416	0.8
617.40308	6.7
633.39978	2.6
635.41467	14.6
636.41278	1.0
651.40887	8.2
652.40637	0.7
743.28296	1.1
745.44434	0.4
751.45349	0.7
763.46161	14.1
764.45380	1.1
764.89032	0.5
779.45728	10.6
780.45288	0.7
781.47198	8.9
797.46729	18.0
798.45819	1.0
925.51654	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	943.5248
Annotation	CHEBI:68377
Peak:m/z	Relative Intensity
67.05132	0.7
67.05492	14.6
69.03415	6.9
69.07056	17.4
70.06580	1.0
71.01337	1.4
71.04978	61.9
71.79956	0.7
73.02904	5.4
75.04472	6.0
79.05471	10.3
81.03398	2.7
81.07042	26.9
83.04965	23.1
83.08601	3.9
85.02889	100.0
85.06508	1.1
86.06055	0.8
87.04467	3.4
91.03934	4.9
91.05454	12.1
93.07028	24.0
95.04946	6.1
95.08589	27.5
97.02876	8.3
97.06520	6.1
97.10139	5.6
99.04434	3.1
99.08074	6.5
101.06000	1.2
102.04819	0.7
103.05506	0.7
105.07013	23.6
107.04953	2.2
107.08573	31.7
109.02864	2.5
109.06489	4.5
109.10138	44.7
110.28728	0.7
111.04423	17.4
111.08055	6.4
111.11702	1.1
113.06001	2.4
113.09620	1.1
115.03881	0.9
117.05503	0.8
117.07005	3.6
119.04939	1.8
119.08559	23.4
121.06500	3.7
121.10123	24.0
123.04409	1.4
123.08047	3.0
123.11686	19.3
125.06012	1.1
125.09603	13.1
127.03896	6.7
127.11190	2.1
128.06223	0.7
129.05460	28.0
129.06873	3.2
131.08540	13.4
133.06487	1.3
133.10101	25.0
135.08069	3.4
135.11670	13.8
135.12616	1.1
136.06186	1.1
137.05942	1.3
137.09639	2.5
137.13248	2.4
139.03908	1.0
139.07516	1.9
139.11128	1.0
141.06999	1.1
142.07796	0.9
143.08545	8.6
143.10594	6.9
144.09314	0.8
145.02849	0.8
145.04926	3.5
145.06493	0.8
145.10098	21.0
147.04407	5.9
147.06496	11.2
147.08022	2.3
147.11650	19.3
149.06108	1.0
149.09592	3.7
149.13225	11.4
151.07584	1.5
151.11166	2.3
151.14874	0.9
153.05467	2.8
153.09067	0.8
153.12801	0.7
155.08531	3.5
156.09299	0.9
157.04984	0.7
157.10110	10.9
159.08044	1.9
159.11662	18.4
161.09584	2.8
161.13217	16.1
163.03909	1.4
163.06029	1.8
163.07541	2.4
163.11194	2.9
163.14796	4.9
165.07574	0.9
165.09068	1.9
165.12788	1.7
167.07083	0.7
167.08478	0.8
167.10677	1.4
169.05115	0.9
169.10057	5.1
171.06589	1.6
171.11671	10.7
172.12038	0.7
173.09665	2.3
173.13231	13.5
175.11201	2.5
175.14796	7.2
177.05476	2.4
177.09082	2.2
177.12686	3.5
177.16307	4.2
179.10672	2.4
179.14276	1.8
181.10143	1.9
183.11670	4.8
184.25192	0.7
185.13225	9.6
187.11234	1.3
187.14781	11.4
189.09065	1.0
189.12732	1.2
189.16322	8.3
191.10696	1.7
191.14345	1.5
191.17941	3.2
193.12288	0.9
195.11702	3.8
195.13589	1.1
197.13249	5.1
199.11319	0.8
199.14830	8.5
201.12802	2.0
201.16370	9.1
203.10641	1.0
203.14288	3.0
203.17868	3.4
205.12164	1.0
205.15871	2.7
205.19638	0.8
207.11772	0.9
207.17474	2.5
209.13295	3.1
211.14865	4.1
213.12729	1.9
213.16310	5.0
215.10683	1.2
215.14337	2.6
215.17957	3.0
217.12236	1.3
217.15903	2.9
219.13815	1.4
219.17436	1.5
221.13269	1.2
221.15315	0.7
223.14781	2.8
225.16312	3.4
227.14365	1.2
227.17944	3.8
229.15866	2.4
229.19507	1.6
231.13832	1.7
231.17487	2.0
233.15350	2.0
235.14778	1.5
237.16338	2.7
239.09140	3.6
239.17859	3.3
241.19458	4.7
243.13757	0.9
243.17389	1.4
245.15431	1.8
245.19040	1.0
247.16887	5.0
251.17952	2.8
253.19505	4.2
255.08661	2.1
255.17448	1.5
255.21025	1.8
257.10193	2.0
257.15323	1.5
259.20624	3.5
265.19553	1.6
267.17688	0.8
267.20966	1.6
269.18970	1.6
271.17084	1.0
271.20624	1.8
273.09769	1.6
273.18561	1.8
275.11200	1.5
277.19400	0.9
279.21057	1.8
281.22604	3.8
283.20569	1.5
283.23987	0.9
285.18561	0.8
291.21027	1.9
293.12347	2.6
293.19250	0.7
293.22531	3.9
295.20587	1.7
297.22137	1.7
299.20392	1.1
299.23514	4.1
301.21545	2.1
307.20657	0.7
309.11899	3.3
309.22034	2.5
309.25482	0.8
311.20224	1.1
311.23639	7.4
313.21667	1.6
313.25134	1.9
315.23032	1.1
321.22266	0.9
321.25861	1.5
323.23703	0.9
325.25385	1.2
327.23245	2.6
329.24615	3.2
331.15625	0.7
339.26727	1.2
341.24814	0.9
351.26825	0.9
353.24805	1.2
355.26306	1.3
367.26129	3.8
369.27948	1.1
371.25763	1.0
377.28317	2.0
379.26285	0.9
385.27301	2.7
389.32138	1.0
393.31613	1.1
395.29120	5.0
395.33755	1.0
399.31171	0.8
405.31369	1.9
407.28009	1.6
407.32962	10.7
411.32715	1.3
415.28528	0.8
417.31287	4.1
419.33273	0.8
421.27521	0.9
423.32605	7.1
425.34064	18.8
435.32578	22.6
436.33276	1.1
437.33945	5.3
441.33640	4.9
453.33551	49.3
454.34097	1.2
455.35181	10.3
469.33090	1.9
471.34631	47.6
472.35269	2.2
473.36227	11.5
487.34097	0.8
489.35703	42.8
490.35855	0.8
563.36987	2.7
581.38385	2.6
599.39111	4.1
615.39618	0.9
617.40521	7.6
633.39880	12.6
635.41498	8.9
651.40918	32.7
779.45551	16.8
781.46326	3.0
797.46246	2.7
925.51038	4.1
943.50812	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	943.5245
Annotation	23-Hydroxyursolic acid 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
67.05494	9.5
69.03035	0.4
69.03418	9.8
69.07056	11.6
71.01337	1.0
71.04980	40.2
71.08626	0.4
73.02898	2.6
74.09692	0.3
74.15923	0.3
75.04468	4.5
75.20831	0.3
79.05478	5.1
81.03408	4.7
81.07043	17.1
83.01338	0.4
83.04964	12.2
83.08608	3.1
85.02889	100.0
85.06513	0.7
86.03254	0.4
86.06042	0.3
87.04442	2.5
91.03944	1.3
91.05459	6.5
93.07028	13.2
95.04959	2.1
95.08590	21.3
97.02875	13.6
97.06512	2.3
97.10154	4.1
98.03275	0.3
99.04447	2.9
99.08068	0.8
101.06030	0.5
103.03923	1.0
105.07012	12.0
107.04948	0.5
107.08573	22.2
109.02863	4.2
109.06522	1.9
109.10139	27.3
110.10432	0.4
110.69189	0.3
110.97735	0.3
111.03657	0.3
111.04424	6.4
111.08066	1.1
111.11710	0.9
115.03922	0.4
117.06990	2.3
119.08561	15.6
121.06516	1.7
121.10129	17.3
123.04443	0.4
123.08029	1.3
123.11687	15.0
125.09602	5.6
127.03889	11.9
127.11163	0.8
129.05457	26.5
129.07014	1.3
130.07762	0.3
131.08534	6.5
133.06459	0.7
133.10107	12.5
135.08043	2.0
135.11670	15.5
137.09590	1.0
137.13231	6.0
139.03885	0.3
139.07530	0.7
139.11160	0.9
141.07016	0.5
143.08521	4.0
143.10614	0.6
144.09346	0.6
145.04935	12.1
145.10098	8.6
147.04356	0.9
147.06494	13.2
147.07994	1.5
147.11662	8.8
148.11983	0.4
149.05919	0.4
149.09567	2.0
149.13232	6.4
151.07503	0.9
151.11124	0.5
151.14777	0.8
153.09071	0.5
153.12712	0.8
155.08482	1.4
156.09335	0.4
157.10117	4.5
159.06631	0.3
159.07999	1.0
159.11662	9.7
161.06013	0.3
161.08372	0.3
161.09564	1.6
161.13223	5.9
163.05984	3.2
163.07494	1.8
163.11133	1.1
163.14799	5.0
165.07649	0.7
165.09068	1.2
165.12706	0.6
167.08531	0.3
167.10590	0.6
169.10080	1.6
170.10852	0.4
171.06483	0.5
171.11647	4.3
173.09567	1.0
173.13214	5.9
175.11121	1.3
175.14793	5.3
177.09090	1.9
177.12706	1.0
177.16374	2.2
177.17685	0.3
179.05493	0.3
179.10678	1.1
179.14235	0.7
181.10173	0.5
183.11671	2.0
185.13225	4.5
187.11104	0.9
187.14787	6.8
189.09064	0.6
189.12761	0.8
189.16351	4.8
191.10661	1.5
191.14246	0.9
191.17920	5.6
192.18091	0.4
193.12180	0.7
193.16045	0.4
193.19444	0.5
195.11592	0.9
197.13246	1.9
199.14816	3.1
201.12610	1.0
201.16357	4.4
203.10677	0.4
203.14233	0.9
203.17931	4.5
205.12193	0.8
205.15807	0.7
205.19379	0.8
207.13763	0.4
207.17358	1.1
209.13228	1.0
211.14742	2.2
213.12764	0.7
213.16284	2.0
215.14259	1.1
215.17899	2.3
217.12189	0.6
217.15828	0.6
217.19489	1.6
219.13680	1.5
219.17258	0.4
219.21144	0.3
223.14658	0.9
225.07542	0.3
225.16217	1.0
227.14351	0.6
227.17955	1.1
229.15828	1.6
229.19455	0.9
231.13831	1.6
231.17348	0.7
231.21039	0.4
233.15320	1.1
235.14868	0.5
235.17015	0.5
237.07500	0.8
237.16330	0.9
239.17827	1.2
241.15656	0.5
241.19502	1.6
243.17368	0.4
243.21019	2.5
245.15366	1.5
247.16936	2.4
251.17851	0.5
253.19380	0.9
255.08641	2.6
255.21075	2.1
257.18982	0.4
257.22485	0.5
259.16934	0.8
261.18353	0.4
267.21069	0.7
269.18860	0.4
269.22543	1.0
271.20291	0.4
273.09622	2.7
273.18423	0.6
273.22269	0.4
279.21069	0.4
281.19318	0.3
281.22537	0.9
283.20673	0.4
283.24054	1.1
285.18304	1.0
285.21921	0.4
287.19986	0.5
293.22623	0.8
295.20605	0.4
295.24005	1.7
297.22043	0.8
297.25479	0.6
299.20322	0.5
299.23804	0.5
301.21634	1.4
307.23975	0.4
309.11771	3.7
309.25540	0.4
311.23520	1.1
311.26865	0.4
313.21487	1.2
313.25162	1.8
315.23102	3.0
321.25684	0.6
323.27237	0.7
325.11203	0.4
327.23224	0.4
329.24561	0.7
331.26074	0.5
335.27585	0.4
337.25092	0.5
339.26761	0.4
341.24530	0.5
349.28629	0.3
351.26611	1.0
355.26086	1.0
357.24133	1.5
363.26508	0.5
369.27878	7.9
373.27191	1.7
377.31760	1.6
381.27643	1.9
387.28833	1.9
391.28186	2.5
391.33469	1.4
395.32837	1.3
399.28784	1.0
401.31763	0.9
407.32953	2.2
409.34592	3.9
417.29532	0.5
419.32974	5.4
425.34015	1.8
427.35745	0.5
437.34091	23.5
438.33884	0.6
439.35205	1.0
455.35129	23.9
456.35046	0.9
473.36179	29.3
474.36179	0.5
534.17346	0.4
547.37708	0.7
565.38940	0.8
617.40546	2.0
635.41211	3.9
763.46008	0.5
779.45532	4.0
797.46655	7.8
798.46350	0.4
904.15625	0.3
925.51251	2.7
943.48932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5241
Annotation	Pharbitoside A
Peak:m/z	Relative Intensity
67.05494	14.5
69.03086	0.6
69.03424	7.7
69.07058	17.4
69.07417	1.2
71.01353	1.4
71.04980	44.3
71.08618	0.7
71.15826	0.8
71.16151	0.8
72.05300	0.7
73.02897	5.0
75.04465	4.1
77.03911	0.6
79.05479	8.1
81.03402	2.8
81.07043	25.6
83.04968	12.2
83.08601	4.9
85.02891	100.0
85.06523	1.7
87.04453	1.5
91.03941	7.7
91.05460	9.8
93.06430	0.8
93.06589	0.5
93.07031	23.4
95.04947	2.6
95.08591	33.9
97.02875	15.3
97.06528	2.7
97.10149	6.0
99.04435	3.0
99.08074	1.2
101.02340	0.7
103.03958	0.7
103.05441	1.0
105.04428	0.6
105.07018	18.0
105.07709	1.3
107.08018	0.6
107.08577	35.2
109.02847	3.8
109.06489	2.5
109.10140	45.9
110.10484	0.6
111.04418	8.1
111.08060	2.1
111.11678	1.6
115.03966	0.7
115.05425	0.7
117.07014	2.5
119.08563	24.5
121.06506	3.4
121.10126	28.2
123.08060	2.8
123.11679	24.4
125.05959	0.8
125.09613	7.6
127.03899	12.3
127.11178	0.9
129.05457	26.6
129.06993	1.4
131.08540	9.3
131.74464	0.5
133.04962	0.7
133.06514	0.8
133.10107	20.4
133.11115	1.1
135.08029	3.4
135.11670	28.6
137.09604	1.8
137.13229	8.8
139.07497	1.3
139.11151	1.7
141.07025	0.7
143.08556	5.6
143.10675	0.8
144.09320	0.6
145.04935	10.5
145.10100	12.2
145.11188	0.9
147.04454	1.2
147.06491	13.9
147.07968	1.3
147.11656	12.8
149.05975	0.6
149.09605	3.0
149.13229	11.1
151.07550	1.5
151.11133	1.4
151.14836	1.5
153.12744	1.2
155.08554	1.7
156.09286	1.0
157.10083	6.4
159.07994	1.1
159.11661	14.9
161.09586	1.5
161.13231	10.6
163.06010	5.8
163.07524	3.0
163.11180	2.1
163.14799	7.8
165.07698	0.7
165.09071	1.7
165.12767	1.5
167.10643	1.2
169.10063	2.8
170.10887	0.7
171.11667	6.2
172.12564	0.6
173.09627	0.5
173.13232	10.4
175.11142	1.2
175.14792	7.7
177.09140	2.6
177.12738	1.1
177.16364	3.9
179.10583	3.3
179.14273	1.7
179.18056	0.6
183.11676	2.2
185.13251	5.8
187.11238	1.5
187.14796	11.8
189.09116	1.1
189.12770	1.3
189.16357	8.6
191.10645	2.1
191.14313	1.2
191.17906	8.5
193.12302	0.7
193.19518	1.6
195.11804	1.2
197.13174	2.8
199.14792	5.2
201.12730	1.7
201.16338	7.3
203.10632	0.8
203.14333	1.7
203.17912	6.5
205.12279	1.5
205.15849	1.5
205.19479	1.7
207.13885	1.0
207.17462	1.9
209.13263	1.3
211.14699	2.7
213.12784	1.2
213.16373	3.9
215.10776	0.7
215.14369	2.0
215.17944	3.0
217.12296	1.6
217.15834	1.4
217.19435	3.0
219.13766	2.5
219.21014	0.9
221.15463	0.7
223.14815	1.4
225.16377	2.2
227.14352	0.8
227.17931	2.2
229.15895	2.1
229.19443	1.3
231.13809	2.3
231.17366	1.1
233.15265	2.9
235.16919	1.1
237.16399	1.1
239.17867	1.3
241.15782	1.0
241.19556	2.3
243.17432	0.9
243.21149	2.1
245.15334	4.0
247.17004	4.4
253.19574	1.7
255.08714	2.6
255.17456	1.0
255.21075	3.6
259.16943	1.6
261.18613	0.7
261.22153	0.7
267.21100	0.9
269.19141	0.7
269.22668	1.1
271.16852	0.6
273.09705	1.9
273.18729	1.0
275.20117	0.9
279.20956	1.0
281.22699	1.2
283.20569	0.7
283.24219	1.7
285.18613	1.0
285.22089	1.4
287.20166	0.9
289.22000	0.7
293.22604	0.9
295.21097	1.1
295.24100	3.3
297.22128	1.8
297.25467	0.8
299.20145	1.6
299.23694	0.8
301.21671	1.0
303.23123	0.8
309.11844	2.0
309.25677	1.2
311.23831	1.6
313.21597	2.4
313.25262	2.4
315.23135	5.0
321.25989	0.7
323.27420	1.3
327.26443	0.6
331.26233	0.8
337.25153	0.8
339.22894	0.8
339.26788	0.7
341.28323	0.9
351.26761	2.0
355.26282	1.9
357.24081	2.9
367.26065	0.6
369.27841	12.3
373.27466	2.8
377.32114	2.2
381.27875	2.3
387.28912	3.6
391.28433	3.8
391.33109	1.1
395.33255	3.1
399.28821	2.5
401.31857	1.6
405.29916	0.7
407.33084	2.2
409.34665	5.1
417.30148	1.2
419.33115	8.7
425.34073	3.6
437.34076	34.6
438.34348	1.0
439.35748	2.5
453.33124	0.6
455.35165	50.3
456.35513	1.4
473.36203	86.0
474.36627	1.4
497.36392	0.7
617.40363	2.3
635.41418	5.2
779.45752	4.8
797.47192	4.4
900.15259	0.6
925.50861	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	942.5979
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	10.2
69.03417	1.7
69.07057	5.3
69.99400	1.1
69.99834	1.0
71.01344	0.3
71.04978	1.3
71.08618	17.6
73.02893	1.2
77.65230	0.3
79.05066	0.4
79.05482	4.9
81.03401	44.9
81.07040	12.3
83.04964	2.2
83.08601	14.9
85.02886	4.4
85.06540	0.8
85.10167	11.1
89.06007	0.8
91.03935	3.2
91.05465	8.8
93.07020	4.9
95.04951	13.7
95.08585	13.3
97.02882	3.5
97.06490	1.1
97.10154	5.9
99.04390	0.3
99.08085	0.7
99.11738	0.8
103.07552	0.8
105.07008	6.5
107.04929	2.8
107.08567	2.4
109.02839	0.5
109.06522	1.8
109.10134	6.2
111.04447	1.2
111.08057	3.4
111.11668	1.7
113.13279	0.4
115.05433	1.0
117.06996	0.8
119.04922	0.7
119.08559	7.1
121.06503	2.0
121.10130	3.6
123.04441	1.4
123.08025	1.1
123.11668	2.5
125.09571	0.5
125.13301	0.3
127.03899	1.3
129.06979	5.1
131.08530	5.2
133.06474	1.8
133.10109	2.6
135.08044	0.5
135.11670	0.7
137.05899	0.5
137.09612	0.8
137.13229	1.3
142.07773	1.3
143.08597	0.4
145.04942	1.2
145.10069	1.5
145.12268	0.3
147.04408	0.8
147.08015	1.8
147.11661	4.8
149.09575	2.8
151.14790	0.4
157.10088	6.5
159.11639	0.3
163.05983	2.6
163.11162	1.0
165.12714	1.2
171.11642	0.3
172.90582	0.3
175.11139	6.3
187.10994	0.3
189.12683	0.4
193.12206	22.4
193.61433	0.3
205.12260	0.3
207.13806	0.5
211.13307	1.3
212.84341	0.3
223.13113	0.4
231.13802	0.4
235.13251	1.6
237.15019	0.6
249.14783	1.5
259.13364	1.6
267.15860	100.0
268.16171	1.7
273.14862	1.0
285.27832	1.7
301.14429	1.8
309.16867	2.8
319.15311	1.0
331.72189	0.3
333.16833	0.5
341.30441	96.0
342.30826	2.4
359.31042	0.3
375.18002	0.5
393.18832	0.7
533.41931	86.8
534.42291	3.3
551.43188	2.7
575.42963	5.7
576.42633	0.5
593.44110	0.9
597.14606	0.3
617.43695	1.1
629.44098	2.9
641.43964	2.0
659.45062	2.3
677.46332	1.7
877.88391	0.3
883.01581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	10.5
69.03413	4.0
69.07056	9.0
69.84209	1.0
69.84618	2.3
70.06554	0.9
71.04949	1.7
71.08594	1.1
73.02905	4.4
75.13902	0.5
75.77169	0.5
79.05482	7.8
81.03395	4.5
81.07041	19.0
83.04935	1.3
83.08611	5.9
85.02889	6.5
85.06489	1.0
86.09668	0.9
87.04377	0.5
91.03934	4.7
91.05465	7.6
93.07026	16.9
93.93179	0.6
95.04903	2.3
95.08591	34.6
96.08894	0.7
97.02876	6.5
97.06509	2.6
97.10143	3.8
99.04393	1.5
99.05044	0.5
99.08042	1.0
100.08486	0.5
101.02312	1.7
104.10706	1.1
105.07010	28.6
106.07310	0.5
107.04905	0.5
107.08577	31.4
108.08882	0.8
109.02840	1.1
109.06496	1.2
109.10138	20.2
111.04403	0.5
111.08012	1.4
111.11704	0.4
115.03869	0.7
115.05471	0.6
117.06940	2.3
119.08563	38.2
121.06436	1.0
121.10123	28.7
121.94701	0.5
122.10381	0.8
123.08006	2.2
123.11679	7.3
125.05974	0.6
125.09580	1.5
127.03916	2.6
129.06963	2.0
130.14214	0.6
131.08537	7.3
133.10106	35.7
135.08022	3.3
135.11667	11.4
137.09532	1.7
137.13240	1.2
139.07474	1.4
142.07755	0.9
143.08586	2.7
145.10103	13.4
147.07948	0.8
147.11667	27.4
149.09572	4.6
149.13234	13.8
151.07491	0.8
151.11122	2.5
151.14798	1.0
153.09076	5.6
156.09267	0.9
157.10103	5.7
158.10840	0.8
159.11673	10.3
160.12373	0.8
161.09564	1.5
161.13235	14.8
163.11128	1.5
163.13472	0.9
163.14803	14.6
165.09079	1.3
165.12740	1.0
167.10649	4.0
169.10112	1.2
170.10883	0.7
171.11655	2.9
173.11809	0.9
173.13208	7.1
174.13988	0.8
175.11159	2.2
175.14798	33.4
176.15100	0.6
177.12752	1.4
177.16351	30.9
178.65332	0.5
179.10623	1.4
179.14304	0.8
181.12279	0.7
183.11658	1.0
184.07312	2.3
184.12398	0.6
185.04153	0.8
185.13223	3.0
187.14792	18.6
188.15144	0.7
189.16351	37.0
190.16682	1.1
191.14328	3.0
191.17885	5.4
193.12172	2.5
193.15878	6.0
197.13239	0.9
199.14757	2.9
201.16365	9.8
203.14224	3.7
203.17918	100.0
204.18274	3.1
205.15855	7.1
205.19441	5.0
207.13863	0.6
207.17438	2.7
211.14862	1.3
213.16341	6.7
215.17918	11.2
216.18224	0.8
217.15817	2.2
217.19478	1.8
219.13753	0.7
219.17397	2.0
221.15361	10.6
221.18877	5.1
223.14783	1.2
223.16891	13.1
225.16377	1.3
227.17857	2.7
229.15855	1.7
229.19370	2.4
231.17432	7.0
231.20984	1.0
233.18947	4.1
235.16876	4.5
239.17964	1.1
241.19524	2.6
243.08394	1.7
243.17589	0.6
243.20953	1.2
245.18933	0.6
247.17017	1.8
249.18459	36.1
253.19554	0.6
255.21112	0.7
259.16983	0.9
259.20352	0.8
261.18582	0.8
267.15866	0.9
267.20871	0.5
271.24167	0.6
281.22552	1.1
283.15021	3.6
293.22537	0.7
307.24194	1.7
309.25589	1.2
311.23492	0.8
335.26346	0.5
347.09473	3.8
353.24582	1.6
355.26163	1.5
363.08640	0.8
365.10413	1.3
379.33630	2.3
381.27362	0.7
389.31982	11.1
390.32220	0.7
397.34927	0.7
399.28879	2.3
405.13672	6.0
407.33020	40.0
408.33411	1.7
417.31326	1.1
423.32321	0.7
425.34073	36.5
426.34293	1.9
435.32526	38.3
436.33020	1.5
443.35141	5.9
453.33585	21.5
454.33920	1.0
471.34631	98.2
472.34897	4.6
496.33945	1.2
501.23041	6.3
512.37415	1.6
519.29297	7.6
520.29315	1.1
663.28223	5.5
681.34540	7.5
682.34723	0.7
779.45862	1.7
941.50629	94.9
942.50977	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	941.6848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	6.6
69.03405	1.2
69.06727	0.8
69.07062	8.8
71.04959	1.0
71.08629	0.9
71.79174	1.0
73.02846	0.6
75.26231	0.7
79.05473	6.5
79.21879	0.6
81.06590	1.4
81.07043	19.9
83.04971	1.2
83.08609	6.1
85.02905	1.2
85.06506	0.6
89.35697	0.6
91.05456	8.5
93.07030	16.1
95.04983	1.3
95.08590	28.2
97.06506	1.8
97.10159	2.4
99.08077	1.7
105.07014	26.2
107.08577	30.6
109.06487	2.2
109.10139	15.7
111.11698	0.9
117.07001	2.3
119.08563	32.1
121.09238	1.4
121.10127	27.7
123.08050	2.4
123.11690	6.4
125.09632	1.5
129.06952	1.1
131.08534	7.2
133.10112	28.5
135.08044	2.6
135.11678	14.1
137.09593	1.6
137.13245	1.2
143.08545	3.3
144.09328	0.8
145.08971	0.9
145.10101	15.4
147.08025	1.0
147.11665	21.6
149.09602	2.8
149.13229	14.6
151.11162	1.5
153.09126	2.5
155.08488	0.7
157.10092	6.8
158.10902	1.2
159.11682	13.2
160.12335	1.2
161.09596	1.7
161.13251	9.7
163.07494	0.8
163.11206	2.5
163.14798	19.6
165.12756	1.1
167.10643	2.0
169.10135	1.6
171.11658	6.1
172.12436	1.4
173.11789	1.3
173.13226	10.8
175.14798	61.9
176.15152	1.5
177.12871	1.7
177.16360	41.5
178.16759	1.5
183.11565	1.3
185.13226	4.0
187.11263	0.7
187.14799	22.7
188.15144	0.8
189.16357	33.8
190.16734	0.9
191.14250	5.5
191.17889	3.6
193.15884	5.2
197.13240	1.4
199.14796	3.6
201.16347	11.1
201.18082	0.7
203.14354	4.6
203.17924	41.2
205.15825	12.2
205.19302	3.4
207.17468	1.7
209.13303	1.0
209.15216	0.8
211.14790	1.9
213.16333	13.6
214.16853	1.0
215.17920	19.9
216.18265	0.8
217.15965	3.4
217.19360	3.8
219.13765	1.1
219.17520	2.0
221.15384	5.4
221.18953	1.0
223.16898	34.9
225.16367	0.8
227.17967	4.5
229.15976	3.4
229.19376	1.8
231.17403	12.9
233.15422	0.9
233.18987	2.5
235.16907	7.6
239.17902	1.2
241.19530	3.2
243.17546	1.1
243.20906	0.9
245.19040	2.1
247.16959	1.6
249.18440	6.6
253.19492	1.4
257.18997	1.2
259.16962	1.0
261.18549	1.3
265.19412	1.7
279.21341	0.8
293.22739	0.8
301.16241	1.2
309.25818	1.1
311.23901	0.7
355.26447	2.1
373.09430	0.7
379.33609	2.6
383.29706	1.1
388.90161	0.7
389.31961	12.7
389.36609	1.1
397.34781	3.4
407.33057	36.7
408.33502	1.5
409.34497	0.7
417.31622	1.3
425.34052	20.2
426.34515	1.2
435.32535	75.2
436.32800	3.6
443.35382	3.1
453.33603	18.7
454.33838	0.9
471.34653	100.0
472.28720	0.8
472.35052	4.3
512.37445	1.3
517.34351	0.8
696.98767	0.8
941.48938	6.3
942.48969	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	941.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	4.5
69.03416	7.1
69.07056	6.7
70.06580	0.4
70.34430	1.2
71.01340	1.2
71.04978	57.2
72.05309	0.5
73.02900	3.5
73.71088	0.2
75.04465	4.4
79.05478	6.3
81.03405	3.4
81.07040	8.7
83.04966	10.5
83.08591	1.9
85.02888	100.0
85.06489	0.5
86.03244	0.8
86.06065	0.3
87.04460	2.5
89.16901	0.3
91.03937	4.4
91.05457	7.6
93.07029	5.7
95.04961	2.1
95.08588	9.8
95.09181	0.5
97.02871	10.7
97.06509	0.8
97.10146	8.8
97.86865	0.3
99.04443	2.0
101.02363	0.5
101.05990	0.7
103.03933	0.8
103.05446	0.5
103.08647	0.3
105.06396	0.2
105.07008	14.0
107.04961	1.7
107.08571	28.4
108.08923	0.4
109.02859	3.0
109.06487	2.4
109.10132	7.8
109.10853	0.5
111.04423	5.7
111.08062	0.8
111.11726	0.7
112.07510	0.2
114.09142	0.4
115.03954	0.8
115.05440	0.5
117.05468	0.4
117.07008	1.6
119.08558	6.4
121.06498	1.4
121.10123	7.8
123.08064	1.0
123.11689	2.3
125.09607	13.0
127.03890	6.8
128.06194	0.5
129.05455	23.5
129.07025	1.3
130.05800	0.3
130.07767	0.3
131.08543	5.8
133.06499	0.9
133.10104	5.9
135.08072	0.8
135.11667	2.7
137.05896	0.4
137.09639	0.6
137.13261	0.5
139.11249	0.3
141.06987	0.4
142.07819	0.7
143.08540	2.5
143.10638	0.7
144.09369	0.5
145.04961	5.8
145.06465	0.9
145.08958	0.4
145.10104	6.8
145.11195	0.5
147.04439	0.6
147.06487	8.2
147.08012	1.0
147.11646	6.1
148.11989	0.3
149.09615	0.9
149.13239	2.2
151.07498	0.3
151.11215	0.7
155.08546	1.0
156.09390	0.5
157.06525	0.3
157.10088	4.5
157.11351	0.3
159.08061	1.2
159.11658	6.4
161.09641	1.0
161.13243	2.6
163.03883	0.3
163.05997	2.8
163.11209	1.1
163.14865	0.6
163.47697	0.3
165.07584	0.5
165.12816	0.5
165.57262	0.3
169.05006	0.3
169.10147	1.1
171.06627	0.3
171.08031	0.6
171.11646	3.6
173.09613	1.1
173.13243	2.6
175.11186	0.7
175.14847	0.8
176.41325	0.3
177.05524	0.4
177.12715	3.7
177.14104	0.3
177.16383	0.2
179.08640	0.3
179.14375	0.4
181.10182	0.3
183.11684	0.8
185.09656	0.6
185.13217	2.8
185.14754	0.3
187.11263	0.4
187.14787	1.3
189.12762	0.7
189.16373	0.8
191.14285	0.3
191.18018	0.4
193.10112	0.4
195.06462	0.3
195.13901	0.5
197.09599	0.4
197.13301	1.1
199.11206	0.7
199.14772	2.9
201.12683	0.4
201.16350	7.6
203.14366	0.8
203.17976	0.5
207.11807	0.3
207.17470	0.5
209.13321	0.5
211.14854	0.8
213.07510	0.3
213.12785	1.0
213.16299	1.2
215.14420	0.6
215.18111	0.3
217.12347	0.3
217.15761	1.3
221.13272	0.4
223.14848	0.4
225.07483	0.3
225.12828	0.4
225.16495	0.4
227.14240	0.4
227.17995	0.4
229.07268	0.3
229.15895	0.7
229.19498	1.2
231.17375	0.3
231.21082	0.5
237.07635	0.6
237.16418	0.5
239.14459	0.2
239.18039	0.8
241.15977	0.6
241.19449	5.7
243.21049	0.5
245.18878	0.3
251.17934	0.5
253.19571	1.3
255.08501	1.7
257.19034	0.7
259.20547	12.2
265.16074	0.3
269.19061	0.6
271.20636	1.0
273.09717	1.2
277.21750	0.6
281.19165	0.3
289.09451	0.3
291.10602	0.4
293.22650	1.0
295.20541	0.5
299.23865	1.0
307.24634	0.3
309.11780	2.6
309.22232	0.5
311.23611	3.5
325.21686	0.3
329.24738	2.6
335.23596	0.4
341.25000	0.3
347.26016	0.7
349.25186	0.5
351.23334	0.4
353.24866	0.6
365.24655	0.4
371.25565	0.3
377.29028	0.4
379.26550	0.4
383.26053	0.3
387.25513	0.6
395.25278	0.3
395.29721	0.5
402.33011	0.3
403.25443	0.3
405.26663	0.5
405.31491	0.5
407.26093	0.4
409.27261	0.4
417.31537	1.0
419.25729	0.4
421.27197	0.8
423.32828	0.8
435.32529	4.7
437.26953	0.9
437.33884	0.3
439.28381	1.2
451.32275	0.5
453.33554	12.1
455.28217	0.9
457.29456	1.4
459.32922	0.3
464.21829	0.3
465.33908	0.3
471.34631	12.8
473.29141	0.9
475.30621	1.1
491.30142	0.7
495.34937	0.6
513.35382	0.4
543.34521	0.3
563.36646	0.6
579.37024	0.5
581.38208	1.6
597.37958	0.5
599.39380	2.6
615.38867	1.2
617.40204	4.3
633.39868	2.0
637.35693	0.5
761.45038	0.4
779.46259	1.2
795.44843	0.6
923.49957	0.4
941.50891	77.1
942.50928	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	940.582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	16.1
69.03387	1.9
69.07056	19.6
71.04951	1.9
71.08612	3.5
71.80119	0.7
73.02886	0.8
76.51399	0.5
77.00199	0.5
79.05476	9.2
81.03402	50.9
81.07040	20.9
81.83109	0.4
83.04965	3.1
83.08604	25.2
85.02892	4.5
85.06492	1.4
85.10145	1.5
91.03951	3.8
91.05467	10.3
93.07030	10.3
95.04948	16.2
95.08585	18.3
97.02877	3.3
97.06509	3.4
97.09584	0.8
97.10149	10.2
99.08038	1.3
100.01469	0.5
105.06416	0.7
105.07012	7.8
107.04933	4.3
107.08578	7.1
109.06518	3.2
109.07154	0.6
109.10143	9.0
111.04398	1.2
111.08054	5.1
111.11731	2.6
113.05939	0.5
115.05406	0.8
117.06966	0.8
119.01294	0.5
119.04927	0.8
119.08556	8.3
121.06448	1.9
121.10127	9.9
123.04407	1.5
123.08017	1.5
123.11674	2.8
125.09563	1.5
125.13239	0.6
127.03847	1.4
128.06364	0.5
129.06967	6.0
131.08540	5.5
133.06433	2.1
133.10124	3.2
135.07993	0.6
135.11662	5.1
137.09529	1.0
137.13213	1.3
139.11087	0.9
142.07771	0.8
145.04910	2.2
145.10040	1.3
147.04402	1.0
147.07976	2.4
147.11656	5.5
149.09595	4.0
149.13248	3.0
151.14766	0.9
157.10118	7.1
159.11658	0.6
163.05986	2.2
163.11113	1.6
163.14856	0.9
165.12715	1.0
175.11162	6.8
193.12215	21.8
203.14114	0.6
205.12231	1.0
205.19493	0.5
211.13171	1.7
227.12724	0.8
235.13202	1.6
247.24199	1.5
249.14870	2.4
259.13309	1.6
265.25247	2.3
267.15866	100.0
268.16260	1.9
273.14798	0.9
292.28629	0.5
301.14215	1.6
309.16913	3.7
319.15399	0.8
333.17377	0.6
339.28879	84.3
340.29218	2.0
439.17255	0.5
457.36835	1.4
531.40375	83.1
532.40918	4.4
549.41431	17.0
550.41962	1.1
563.42920	1.9
573.41418	7.4
581.44141	1.4
591.42041	0.9
615.42529	1.1
627.42096	2.7
639.42017	2.6
657.43317	2.5
675.44318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.4
69.03420	0.9
69.07059	2.3
69.59796	3.1
70.06568	0.5
73.20922	0.4
79.05497	0.7
81.03397	1.2
82.06564	4.1
84.08132	2.0
85.02883	0.8
85.55986	0.3
91.03968	0.3
91.05517	0.4
93.05789	0.6
94.06550	1.4
95.04926	0.4
97.02896	0.8
98.06042	0.6
106.06551	1.0
108.08105	15.4
109.02891	0.9
109.05261	0.7
110.06026	41.7
112.07585	6.1
114.09149	0.7
116.07077	0.5
118.06522	0.6
120.04469	0.7
120.08086	2.4
121.02900	0.3
121.05202	0.4
122.06007	6.0
122.09685	1.6
124.07607	0.6
128.07071	0.8
130.08623	20.2
132.08128	0.5
132.65746	0.3
134.06018	1.0
134.09663	1.3
136.07549	0.6
138.05493	0.5
140.07045	7.3
146.05975	2.3
148.07539	6.5
150.09103	5.8
152.07089	0.8
157.73807	0.4
158.05988	0.4
160.07603	1.1
162.09106	3.6
163.03888	0.4
164.07080	0.4
166.08652	1.4
172.03923	1.6
172.07555	0.5
172.09738	0.4
174.05513	3.3
174.09206	0.5
176.07040	2.6
177.05522	0.4
190.05037	0.4
191.05879	0.5
192.06654	0.8
197.10812	0.4
199.12309	0.7
200.07080	0.9
201.10234	0.5
202.08617	0.6
203.11870	0.6
204.06528	3.4
206.08212	0.8
208.09720	1.2
209.10605	0.5
210.11563	1.2
211.08623	0.5
211.12357	1.4
212.13135	0.5
213.10310	0.5
213.13741	0.5
215.11749	0.4
216.10303	0.8
221.10706	0.7
223.12262	2.7
224.13136	1.3
225.10211	0.9
225.13809	3.1
226.10905	0.4
226.14639	0.5
227.11752	6.4
228.06581	0.9
228.12242	0.5
233.84322	0.4
234.11502	0.4
235.08665	0.6
235.12254	2.9
235.14444	0.4
236.09386	0.5
236.12993	2.3
237.10214	2.8
237.13747	2.3
238.10919	1.3
238.14651	1.4
239.11742	4.7
239.15520	0.4
240.12573	1.4
241.13345	2.9
243.11276	3.2
243.79832	0.4
245.12874	0.6
247.12520	0.5
248.09526	1.2
249.10216	6.7
249.13873	0.8
250.10968	3.8
251.09128	0.8
251.11771	16.3
252.10152	0.8
252.12543	4.7
253.10570	0.6
253.13338	10.2
254.14040	1.7
255.11479	0.5
255.14810	0.8
259.10855	1.5
261.12485	1.2
262.11078	1.3
263.07614	0.7
263.08429	1.0
263.11752	17.9
264.09116	2.2
264.12549	14.0
265.09848	4.6
265.13397	17.3
266.10583	2.0
266.14151	4.3
267.11273	5.5
267.14670	2.9
268.12177	0.4
268.15811	1.0
269.12833	2.9
275.11679	4.4
276.12631	0.6
277.09830	9.3
277.13391	4.7
278.10492	8.9
278.13641	0.7
279.11246	41.0
280.11996	6.0
281.12805	6.2
285.12338	2.1
287.13934	1.4
289.13361	0.4
291.11234	17.6
292.11951	10.2
293.12799	22.4
294.13586	4.0
295.10834	5.8
295.14478	4.7
295.17429	0.5
296.11606	1.4
296.14920	0.5
297.12335	5.8
298.13290	0.5
299.14038	1.4
303.10883	0.5
305.09622	0.6
305.12686	2.1
307.10858	1.4
307.14395	1.0
309.12320	5.4
310.12927	2.4
311.10449	0.7
311.13812	5.9
312.14548	1.8
313.11823	1.0
313.15527	3.6
319.10745	21.1
320.11499	14.1
321.12326	12.2
323.14059	0.9
324.14560	0.6
325.11832	0.8
325.15515	0.9
333.12427	1.3
337.11810	3.7
338.12589	3.0
339.13367	6.5
340.14093	0.6
345.14615	0.8
347.16458	0.7
351.13339	1.7
352.14316	0.6
353.15109	1.4
355.12939	0.6
355.16873	0.5
356.13718	0.5
357.14999	0.6
358.15408	0.5
358.98502	0.5
369.14832	0.9
370.15555	0.5
372.17258	0.8
374.14908	0.7
377.14798	0.5
379.12750	0.8
380.13696	1.3
381.14511	1.3
382.15363	0.4
384.13376	0.6
390.18408	0.6
393.13864	0.5
395.16199	1.3
396.17227	0.6
398.15091	1.2
399.15866	1.1
400.16574	3.0
403.16348	0.5
407.16296	0.5
413.16888	0.7
416.15909	2.2
418.17780	1.4
419.16113	1.0
420.18112	0.4
423.15414	1.0
431.18066	0.5
432.19153	0.6
435.15585	1.6
436.16284	0.6
437.17044	1.9
438.18219	0.5
439.20737	22.0
440.15961	1.3
441.16803	0.7
442.17554	0.7
445.14218	0.8
446.14786	0.5
447.15543	0.6
453.16565	1.7
454.17578	0.5
455.18198	1.6
457.19550	0.4
458.17303	0.8
460.18695	3.3
463.14868	4.5
464.15503	2.1
465.16388	2.9
473.19214	1.4
475.20316	0.8
478.19788	0.7
481.15985	8.0
482.16879	5.3
483.17526	5.9
484.18182	0.4
495.17734	0.5
499.17239	1.0
500.17847	0.5
501.18732	2.2
520.21124	0.8
534.24170	0.5
560.25903	6.4
570.24634	0.7
576.25513	3.5
578.26904	2.5
582.24316	1.1
584.26080	1.9
585.26892	1.4
586.21301	0.8
588.25299	0.7
596.27881	2.7
598.23541	0.8
599.25513	0.4
604.22546	1.8
610.23981	6.6
611.24744	2.7
612.25317	3.2
617.26489	0.8
622.23920	7.0
630.25952	0.7
636.26001	0.4
638.23102	0.5
642.26672	3.1
644.28528	1.5
654.26404	1.4
674.25153	1.1
707.30524	0.4
711.32166	0.4
725.34009	13.3
726.34454	0.7
731.28650	0.8
733.31165	0.9
743.29041	2.0
749.30096	0.9
751.31757	100.0
752.31891	4.4
761.31055	0.7
767.30945	1.0
779.31403	2.4
783.34302	23.1
784.34467	0.9
811.33942	0.6
846.38696	0.5
848.36615	0.7
872.37018	7.6
890.37897	2.4
904.39093	1.6
908.39148	6.4
922.40753	1.2
940.41370	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	939.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.5
67.05491	16.0
69.03415	25.0
69.07054	14.0
70.06575	1.5
71.01350	5.8
71.04979	15.6
71.08565	0.6
71.79544	1.3
73.02905	34.1
75.04466	69.2
79.05479	9.5
81.03395	3.0
81.07041	24.1
83.04964	40.4
83.08600	4.3
85.02888	100.0
85.06525	1.7
86.09683	0.6
87.00826	0.8
87.04458	6.3
91.05463	8.5
93.07028	16.0
95.04964	4.8
95.08589	29.9
97.02872	23.1
97.06512	1.9
97.10155	2.1
99.04435	13.3
99.05044	1.1
101.05997	13.2
103.03925	1.6
105.07007	13.2
107.04957	1.7
107.08573	23.6
109.02860	1.6
109.06519	2.3
109.10135	40.4
110.10471	0.7
111.04420	40.2
111.08060	1.1
111.11705	1.4
113.06011	1.7
115.03911	17.0
117.05470	4.8
117.07002	2.0
119.08560	15.9
121.06496	1.7
121.10128	22.4
123.04431	1.4
123.08044	1.1
123.11682	27.7
124.12038	0.8
125.05997	2.8
127.03899	7.0
129.05452	32.9
129.06966	1.6
131.08553	8.0
133.04944	10.6
133.10106	14.8
135.04393	1.3
135.08038	3.4
135.11674	20.5
137.05908	0.7
137.09549	0.8
137.13228	11.4
139.03859	3.7
139.07510	1.9
139.11078	0.7
141.06937	0.7
143.08524	4.7
145.04973	0.9
145.10080	10.5
147.04562	1.0
147.06502	20.0
147.07864	1.1
147.08118	1.4
147.11673	8.8
149.05978	1.2
149.09625	2.0
149.13229	9.4
151.03915	1.1
151.07536	2.5
151.14819	1.9
153.05461	1.4
153.09081	1.5
155.08513	1.1
157.04956	3.4
157.10080	4.6
159.07999	1.4
159.11671	12.7
161.09657	2.1
161.13240	8.6
163.03857	1.0
163.06026	2.4
163.07559	4.1
163.14847	6.9
165.09116	2.2
169.04944	1.5
169.10013	1.7
171.06505	34.4
171.11624	3.9
173.08083	0.8
173.13226	9.2
175.11188	1.1
175.14755	6.9
177.05472	1.6
177.09103	3.4
177.16357	3.4
179.10672	1.5
179.14233	1.2
181.04929	1.6
183.11737	2.4
185.13261	6.8
187.06082	0.9
187.14772	11.9
189.07553	14.2
189.09103	2.1
189.12723	1.0
189.16341	8.9
191.10687	2.0
191.17902	11.7
191.19473	1.1
193.12204	1.0
193.19496	1.8
195.11716	0.8
197.13225	1.3
199.06079	1.5
199.11250	1.1
199.14787	5.0
201.12698	0.9
201.16374	6.2
203.10683	2.3
203.14294	2.0
203.17929	8.4
205.12259	1.6
205.19452	1.5
207.06516	1.0
207.17375	0.9
209.13216	1.0
211.14801	1.5
213.12878	0.8
213.16367	3.9
215.17979	2.9
217.07097	1.9
217.19466	3.7
219.13814	2.5
219.21013	1.0
221.15448	1.5
225.07542	6.7
225.16321	1.3
227.14288	1.0
227.17934	1.9
229.15891	1.4
229.19514	2.0
231.13805	5.0
233.15239	3.7
239.18019	1.1
241.15930	1.1
241.19533	2.5
243.08583	5.0
243.21021	1.9
245.15353	7.2
247.16861	9.6
249.18428	0.9
253.19467	1.1
255.21117	2.4
259.17007	1.7
261.09424	3.0
267.21121	1.3
271.17081	1.1
273.18500	1.7
275.20145	1.8
279.10742	1.0
281.22589	1.1
285.18509	0.9
287.20102	1.2
295.20776	1.1
297.21921	0.8
299.20032	2.3
301.21616	2.3
309.25845	1.3
313.21628	2.1
315.23175	5.5
321.25702	1.0
323.27386	0.8
327.23083	1.4
341.24915	0.9
351.26962	1.8
353.24716	1.2
355.26303	1.1
367.26337	1.4
369.27826	16.1
369.32230	1.1
377.32040	6.7
381.27731	4.2
387.28967	2.3
391.33609	1.3
395.33066	10.2
401.31888	1.1
409.34546	2.0
419.33060	5.2
431.34341	0.7
437.34100	54.4
438.34485	2.2
455.35156	30.8
456.35388	1.3
467.35147	0.9
473.35422	0.7
533.36475	2.4
544.37354	1.0
547.38025	1.1
551.37329	1.1
569.38647	0.8
587.39648	1.8
617.80017	0.6
733.45007	21.8
734.45520	1.2
775.97571	0.7
785.34467	0.8
939.49567	14.0
940.49988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.4
67.05119	0.3
67.05489	6.0
69.03415	10.9
69.07055	5.5
70.06577	0.1
71.01348	1.4
71.04977	47.9
71.08631	0.2
71.30859	0.3
72.05315	0.2
73.02499	0.3
73.02901	5.4
75.04462	2.1
77.03913	0.1
77.58424	0.1
79.05472	2.6
81.03400	1.4
81.07038	8.9
83.01287	0.2
83.04961	17.4
83.08601	1.6
84.05275	0.1
85.02885	100.0
86.03219	0.6
86.06044	0.4
87.04454	2.0
87.59861	0.1
91.05459	2.5
93.07025	5.4
95.04939	1.9
95.08585	9.7
97.02869	11.5
97.06499	0.8
97.10141	0.8
99.04433	7.5
99.08039	0.1
101.06007	0.6
103.03921	0.5
103.05433	0.3
105.07007	5.2
107.04929	0.5
107.08569	7.8
109.02872	0.7
109.06493	0.8
109.10132	15.4
110.10477	0.1
111.04417	11.8
111.08082	0.3
111.11705	0.6
113.02372	0.5
113.06001	0.5
115.03904	8.7
117.05469	4.0
117.06943	0.9
119.04949	0.2
119.08553	6.2
121.06493	0.5
121.10118	7.9
122.10405	0.1
123.04413	0.8
123.08060	0.6
123.11679	12.9
124.12010	0.2
124.40479	0.1
125.05922	0.7
125.09570	0.2
127.03891	2.5
129.05449	28.6
130.05809	0.2
130.07741	0.1
131.08536	2.3
133.04932	1.2
133.06461	0.2
133.10092	5.4
135.04399	0.3
135.08037	1.3
135.11662	7.1
137.05965	0.4
137.09566	0.2
137.13225	4.4
139.03864	1.8
139.07497	0.7
141.05450	0.3
141.06987	0.2
142.07803	0.2
143.03418	0.3
143.08528	1.7
144.09280	0.2
145.04927	3.5
145.10089	3.9
145.11203	0.3
147.06493	7.8
147.07791	0.3
147.11658	3.1
149.05972	0.1
149.09586	0.5
149.13219	3.4
151.03925	0.4
151.07533	0.6
151.11154	0.3
151.14815	0.7
153.05424	0.5
153.09088	0.4
153.12701	0.4
155.08525	0.5
156.09293	0.3
157.04941	1.2
157.10086	2.3
158.10898	0.1
159.06552	0.2
159.08035	0.4
159.11653	4.3
161.05916	0.3
161.09595	0.6
161.13232	2.7
163.03886	0.2
163.05986	1.8
163.07506	2.1
163.11102	0.3
163.14790	2.6
165.05486	0.3
165.07629	0.3
165.09090	0.8
165.16345	0.3
167.10622	0.2
169.04955	0.4
169.10007	0.8
170.10919	0.1
171.06493	14.0
171.11626	2.1
173.09596	0.3
173.13231	3.1
174.43207	0.1
175.11122	0.2
175.14790	2.4
177.09090	1.5
177.12730	0.2
177.16328	1.5
179.06989	0.3
179.10693	0.8
179.14279	0.4
179.17868	0.2
181.04924	0.3
181.10049	0.2
182.10883	0.1
183.06499	0.3
183.11652	0.9
185.09601	0.2
185.13206	2.0
187.06017	0.2
187.11150	0.3
187.14772	4.1
189.05717	0.3
189.07562	5.0
189.09094	1.1
189.12682	0.2
189.16344	2.6
191.10641	1.2
191.17908	4.3
193.12242	0.4
193.19499	1.1
195.06563	0.4
195.11642	0.3
197.08073	0.2
197.13200	0.7
199.05940	0.5
199.11140	0.2
199.14767	1.7
201.12679	0.4
201.16347	2.5
203.10626	0.6
203.14232	0.5
203.17934	2.5
205.12230	0.7
205.15704	0.1
205.19498	0.9
207.06491	0.4
207.13770	0.3
207.17371	0.3
209.13248	0.3
211.14861	0.7
213.07562	0.3
213.12717	0.2
213.16302	1.3
215.14290	0.2
215.17935	0.9
217.07024	0.2
217.12181	0.5
217.15863	0.2
217.19489	1.0
219.13730	1.0
219.17445	0.2
219.21144	0.4
221.13321	0.2
221.15349	0.5
221.18904	0.2
223.14807	0.3
225.07532	4.8
225.16444	0.6
227.14291	0.4
227.17865	0.7
229.12106	0.2
229.15717	0.3
229.19505	0.5
231.08614	0.3
231.13745	1.0
231.21095	0.2
233.15311	1.5
235.16837	0.3
237.16374	0.3
239.17914	0.5
241.15903	0.2
241.19444	0.7
243.06097	0.2
243.08592	4.4
243.13678	0.2
243.17455	0.3
243.20979	0.8
245.15302	2.3
245.19113	0.2
247.16898	3.2
249.18503	0.2
253.19467	0.5
255.17322	0.2
255.21053	1.0
257.15338	0.3
259.16803	0.9
261.09647	3.0
261.18347	0.3
267.20987	0.5
269.15344	0.2
269.22592	0.3
271.16888	0.3
273.18393	0.6
275.19907	0.4
279.10730	2.0
279.20972	0.2
281.18924	0.2
281.22287	0.2
283.20294	0.2
285.18439	0.8
287.19949	0.3
289.21542	0.2
295.20459	0.4
295.23969	0.2
297.22046	0.3
299.19974	0.8
301.21487	0.5
307.24149	0.3
309.22412	0.2
309.25687	0.9
313.21521	1.2
315.19717	0.2
315.23102	2.2
321.25711	0.3
323.27301	0.6
327.23093	0.5
327.26541	0.3
329.24585	0.2
333.25729	0.2
339.26776	0.2
341.24622	0.3
351.26709	1.3
353.24548	0.3
355.26117	0.4
367.26401	0.3
369.27817	9.2
370.27844	0.2
373.27039	0.2
377.32007	1.4
381.27866	1.1
387.28867	1.1
391.28571	0.3
391.33401	0.4
395.33173	0.9
399.28891	0.3
401.31998	0.3
409.34622	0.9
419.33008	1.2
435.32751	0.2
437.34070	11.7
438.34213	0.6
449.33801	0.3
453.33527	0.3
455.35117	5.0
456.35324	0.3
467.34647	0.3
515.33801	0.2
527.37390	0.2
529.36383	0.4
533.35760	0.2
547.37689	1.1
565.38300	0.9
569.37708	0.4
583.39478	0.3
587.39520	0.6
613.49768	0.1
673.43127	0.7
679.41437	0.3
715.43524	0.4
733.45007	8.1
734.44257	0.5
937.19354	0.1
939.51080	0.2
955.37299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.3
67.05494	19.1
69.03036	1.5
69.03418	35.1
69.07056	18.4
71.01338	6.6
71.04979	37.2
71.08616	1.1
73.02904	56.1
73.06538	1.1
75.04466	100.0
75.52619	0.9
77.17007	0.8
79.05484	10.7
81.03398	4.1
81.07042	32.8
83.04967	35.9
83.05465	1.7
83.08591	5.0
85.02889	76.1
87.04449	9.8
91.05458	9.9
93.07025	23.5
95.04957	6.1
95.08589	37.9
97.02875	31.0
97.06503	3.7
97.10134	3.3
99.04431	21.5
101.02343	1.0
101.05999	19.8
103.03913	1.9
105.07017	18.9
107.04955	1.1
107.08571	29.8
109.02866	1.7
109.06465	2.9
109.10137	50.7
111.04422	53.7
111.08006	1.3
111.11729	1.2
113.02341	1.0
113.06020	4.8
115.03916	25.0
115.05434	1.0
117.00016	0.9
117.05485	8.6
117.06940	2.3
119.04937	1.1
119.08564	23.7
121.06504	2.2
121.10123	30.9
123.04438	1.6
123.08027	1.9
123.11684	38.8
125.05954	2.3
127.03903	5.8
129.05453	50.0
129.06967	2.3
131.08560	10.1
133.04947	16.6
133.06400	1.2
133.09154	1.5
133.10106	20.8
135.04350	1.3
135.08014	3.1
135.11665	27.2
137.05988	1.2
137.09567	1.6
137.13229	18.2
139.03883	5.2
139.07542	1.6
143.08559	7.8
145.10086	14.1
147.06508	30.3
147.07838	1.7
147.11655	12.1
149.05916	2.1
149.09601	1.9
149.13225	14.9
151.03983	1.1
151.07455	1.8
151.11115	1.4
151.14803	3.1
153.05434	3.0
153.09061	1.2
153.12679	1.5
155.08583	1.0
157.04964	5.4
157.10115	8.6
159.08002	1.2
159.11667	17.0
161.09625	1.6
161.13216	9.8
163.03868	1.4
163.06010	3.1
163.07515	6.0
163.11075	1.2
163.14812	9.0
165.09058	2.5
165.16350	1.2
167.10571	0.9
169.10088	2.0
171.06512	12.5
171.11650	7.5
173.08107	1.0
173.13219	11.0
175.14838	9.1
177.09052	5.8
177.16339	4.0
179.10611	2.2
179.14172	1.0
181.04904	1.9
181.10152	0.9
183.11681	2.6
185.13281	7.7
187.05956	1.1
187.11185	1.8
187.14786	16.0
189.07539	19.2
189.09030	2.3
189.12717	1.2
189.16357	9.8
191.10646	4.1
191.17909	16.5
193.12265	1.2
193.19499	2.9
195.06464	2.0
197.13202	3.1
199.05972	3.1
199.14781	5.7
201.16351	10.7
203.10677	2.0
203.14268	1.9
203.17889	11.9
205.12132	1.9
205.19513	1.8
207.17448	1.6
209.13107	1.5
211.14780	2.2
213.16324	3.6
215.14314	1.2
215.17915	3.2
217.06990	1.1
217.12231	2.6
217.19521	5.2
219.13745	3.2
219.21008	2.6
221.15271	1.5
223.14769	1.3
225.07545	8.5
225.16301	1.2
227.17870	3.2
229.15817	1.7
229.19519	1.5
231.13739	6.9
233.15320	4.8
235.16782	2.1
237.16350	1.4
239.17940	1.4
241.19411	2.8
243.08583	7.1
243.13885	1.2
243.21036	2.7
245.15294	8.1
247.16864	15.5
249.18515	1.5
253.19521	2.6
255.17191	1.5
255.21080	2.1
257.15247	1.3
257.22684	1.0
259.16922	1.9
261.09610	5.2
261.18396	1.6
265.19601	1.1
267.21124	1.9
273.18478	2.3
279.10654	3.1
281.22614	1.6
283.20465	1.1
285.18301	2.2
287.19891	1.4
297.22073	1.0
299.20004	3.2
301.21512	4.5
303.23276	1.2
309.25745	2.1
313.21609	3.5
315.23157	8.0
323.27228	1.5
327.23108	1.3
327.26694	1.2
341.24698	1.6
351.26709	2.6
353.28284	1.0
355.26279	2.2
367.26263	1.7
369.27820	23.7
377.31961	9.1
381.27905	5.6
387.28745	2.5
391.28745	1.2
391.33597	2.1
395.33130	14.7
399.28558	1.3
409.34601	2.6
419.33072	6.6
437.34082	83.2
438.34259	1.7
449.34348	1.1
453.33200	1.1
455.35159	43.4
527.37006	1.1
529.90643	1.0
533.36053	3.1
547.37274	2.2
551.36816	2.2
553.98547	1.1
565.38080	1.5
569.37988	1.5
587.39160	1.7
733.45020	32.8
939.51520	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	937.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.3
69.03408	3.0
71.08636	0.9
71.78413	0.5
73.02906	3.9
74.28840	0.5
79.05491	1.1
81.03378	0.8
81.07058	2.5
85.02892	5.4
85.10172	0.7
91.03935	4.1
93.07047	1.3
94.19609	0.5
94.22131	0.5
95.05011	0.5
95.08598	2.0
97.02870	5.9
101.02388	1.8
105.07028	1.0
107.08553	1.2
109.02880	0.7
109.10156	0.8
116.01866	0.5
121.10149	0.8
127.03918	1.5
159.11464	0.5
185.04265	1.1
203.05301	0.7
243.08463	1.6
291.09341	0.7
347.09372	3.0
364.04285	0.6
365.10654	1.1
405.13632	6.1
497.30896	4.5
519.29315	6.2
575.12384	0.6
659.36096	4.5
681.34521	6.6
775.52985	1.2
935.23883	0.7
937.58417	100.0
938.58649	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	939.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.6
66.80042	0.2
67.05495	6.5
69.03418	13.0
69.07053	5.9
69.48653	2.6
69.48986	0.5
71.01340	1.8
71.04978	61.0
72.05312	0.3
73.02902	6.9
75.04459	3.6
77.03969	0.3
79.05482	2.9
81.02991	0.2
81.03395	1.5
81.07040	10.5
83.04964	13.3
83.08601	2.0
85.02888	100.0
85.06495	0.4
86.03200	0.3
86.06080	0.3
87.04453	2.6
91.05453	2.7
93.07030	6.7
95.04957	2.1
95.08590	11.4
97.02874	14.6
97.06512	1.1
97.10150	1.0
99.04436	8.6
101.02380	0.2
101.05970	0.6
103.03925	0.7
103.05436	0.3
105.07017	6.2
107.04965	0.5
107.08572	8.2
109.02852	0.9
109.06515	0.8
109.10135	18.2
111.04420	13.0
111.08050	0.6
111.11703	0.5
111.67014	0.2
113.02373	0.7
113.05987	1.9
115.03908	10.7
116.06249	0.2
117.05473	6.0
117.06988	0.9
119.08559	6.5
121.06489	0.7
121.10122	9.7
123.04386	0.6
123.08052	0.5
123.11684	12.9
125.05966	0.5
125.09674	0.2
125.13242	0.3
127.03872	2.1
129.05455	35.8
131.08545	3.1
133.04968	1.2
133.06512	0.3
133.09140	0.5
133.10109	6.9
135.04370	0.5
135.08090	1.4
135.11674	7.8
137.05948	0.4
137.13243	3.8
139.03879	2.5
139.07544	0.4
142.07722	0.5
143.07019	0.4
143.08521	1.8
144.09198	0.3
145.04929	4.1
145.10104	4.3
146.10599	0.3
147.06494	10.6
147.11655	3.6
149.09552	0.6
149.13223	3.6
151.07504	0.5
151.11121	0.3
151.14801	1.0
153.05437	0.8
153.09082	0.4
153.12729	0.3
155.08495	0.5
157.04948	1.7
157.10106	2.4
159.07985	0.4
159.11664	5.0
161.09607	0.6
161.13213	3.5
163.05989	2.4
163.07513	1.9
163.11128	0.4
163.14796	2.6
165.07607	0.3
165.09076	0.6
167.10593	0.3
169.04887	0.7
169.10056	0.5
170.10831	0.3
171.06497	3.8
171.11629	2.2
173.09569	0.5
173.13217	3.4
175.06146	0.3
175.11110	0.3
175.14813	2.5
177.09053	1.5
177.16319	1.3
179.06966	0.3
179.10631	0.8
179.14250	0.5
181.04874	0.5
181.09966	0.3
183.06464	0.4
183.07961	0.2
183.11644	0.8
185.13258	2.3
187.06010	0.4
187.14772	4.3
189.07553	6.9
189.09087	1.0
189.12669	0.3
189.16364	2.6
191.10637	1.2
191.17903	4.9
192.18227	0.3
193.12265	0.5
193.15839	0.3
193.19463	1.5
195.06439	0.7
197.13191	0.8
199.06056	0.5
199.14737	1.6
201.12703	0.5
201.16371	3.5
203.10585	0.5
203.14249	0.6
203.17911	2.7
205.12164	0.8
205.19455	0.8
207.06433	0.5
207.13795	0.4
207.17386	0.3
211.14848	0.8
213.07590	0.3
213.12558	0.3
213.16344	1.6
215.14366	0.3
215.17950	1.0
217.12172	0.6
217.19467	1.0
219.13742	0.8
219.21053	0.7
221.15392	0.4
223.14854	0.4
225.07542	5.3
225.16225	0.3
227.14232	0.5
227.17888	1.0
229.15839	0.3
229.19537	0.5
231.13765	1.0
233.15363	1.2
235.16838	0.6
237.16296	0.3
239.17905	0.7
241.15752	0.4
241.19438	0.8
243.08615	5.4
243.13663	0.3
243.20975	0.9
245.15337	2.6
247.16904	3.0
253.19376	0.8
255.17363	0.3
255.20969	0.9
257.15286	0.4
259.16873	0.9
261.09653	3.2
261.18491	0.6
263.17584	0.3
267.21072	0.4
273.18430	0.4
275.20010	0.5
279.10721	2.3
285.18417	0.7
287.19925	0.7
295.20450	0.2
297.22214	0.3
299.19946	1.2
301.21552	0.7
307.24084	0.3
309.25674	1.2
313.21497	1.1
315.23157	2.6
323.27231	0.7
327.23096	0.5
333.25565	0.4
351.26776	1.3
355.26297	0.3
367.26132	0.9
369.27823	11.7
370.28040	0.3
377.32077	1.9
381.27878	1.3
387.29095	1.2
391.33511	0.5
395.33038	1.0
399.28757	0.3
409.34619	0.7
419.32840	1.8
437.34076	14.2
438.34467	0.4
453.33615	0.5
455.35153	4.7
529.36188	0.4
547.37335	1.1
565.38477	0.6
569.38043	0.4
583.39508	0.4
587.38928	0.7
673.42285	0.9
715.43573	0.7
733.45056	10.4
734.44659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.4
68.53255	0.1
69.03429	0.2
69.07052	0.2
70.06593	0.3
70.54222	0.6
70.61552	0.1
70.63230	0.2
71.04958	0.3
79.05473	0.3
81.03421	0.3
81.07048	0.5
83.04977	0.2
85.02899	0.6
86.09725	0.2
87.04474	0.2
91.05482	0.4
93.07030	0.3
93.22672	0.1
95.04945	0.3
95.08615	0.3
97.02912	0.3
99.04475	0.2
105.07011	0.3
107.08576	0.5
109.10159	0.3
119.08589	0.3
119.69260	0.2
120.08150	0.2
121.10114	0.2
123.78320	0.1
125.09637	0.2
127.03957	0.2
130.21564	0.2
133.10123	0.3
135.11638	0.2
145.10123	0.2
147.11668	0.2
149.09566	0.2
149.35754	0.2
160.11043	0.1
177.05537	0.2
178.05768	0.2
234.75465	0.2
248.71863	0.2
266.85074	0.2
267.15778	0.2
343.06393	0.2
447.14719	0.5
465.16080	0.4
465.34055	0.2
495.34631	0.4
504.30774	0.2
513.35547	2.0
542.35162	0.2
547.80811	0.2
559.36658	0.2
645.39691	1.6
791.45239	1.4
937.51086	100.0
938.51288	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	936.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	2.4
67.05495	56.7
69.03389	3.3
69.06682	0.8
69.07058	13.5
69.64998	2.8
69.65430	2.9
70.28581	0.7
71.01322	1.0
71.04980	4.2
71.77079	0.6
73.02880	2.8
77.03899	0.9
77.05037	0.8
79.05014	1.4
79.05480	42.1
81.03405	77.7
81.07043	61.3
83.04974	4.7
83.08608	20.6
85.02886	9.1
85.06525	1.3
91.03945	5.8
91.05463	30.0
93.07029	46.6
95.04956	28.1
95.08590	43.1
97.02878	6.2
97.06519	5.5
97.10158	7.6
99.04429	0.8
99.08060	1.8
103.05383	0.9
105.06326	1.6
105.07017	30.3
107.04945	8.0
107.08576	26.6
107.53021	0.7
109.02865	1.6
109.06509	5.0
109.10137	23.2
111.04407	1.9
111.08062	8.5
113.09713	1.0
115.05412	1.6
117.07005	7.1
119.04917	1.3
119.08562	24.4
121.06492	3.7
121.10126	23.3
122.10466	0.8
123.04388	2.4
123.08017	3.1
123.11694	7.6
125.09612	5.2
127.03871	3.4
128.06169	0.9
129.06985	9.9
131.08542	18.3
133.06425	2.9
133.10110	13.6
135.07994	2.6
135.11679	14.6
137.09569	3.2
137.13206	1.9
141.06943	1.3
142.07716	2.6
143.08537	3.0
145.04910	4.2
145.06432	1.0
145.09091	1.3
145.10106	13.2
147.04387	2.0
147.08034	4.1
147.11685	13.9
149.09595	7.3
149.13237	8.8
151.11133	1.1
155.08563	1.8
157.10100	12.7
159.08034	1.1
159.11687	8.0
161.06010	0.9
161.09642	0.9
161.13237	7.5
163.05994	4.8
163.11168	4.2
163.14795	4.1
165.12691	1.4
166.07820	0.7
171.11664	2.7
173.09561	1.3
173.11807	1.0
173.13217	6.9
175.11159	9.4
175.14769	2.8
177.12701	1.0
177.16400	0.9
181.10033	1.2
183.11656	1.4
185.13200	2.9
187.10999	0.9
187.14847	3.9
189.11174	3.8
189.16327	0.8
193.12218	22.0
195.11705	0.8
199.14787	1.4
201.16304	1.0
203.14410	0.8
205.12248	1.4
207.13762	1.4
211.13210	2.6
213.14760	0.9
215.14403	0.7
217.12140	0.9
223.05988	0.8
223.13098	0.9
227.12671	7.7
231.13741	1.0
233.22726	1.0
235.13219	2.8
235.16986	0.9
243.21051	6.7
249.14813	2.1
259.13327	1.7
259.20569	1.3
261.22104	22.6
267.15878	98.8
268.16168	3.1
273.14905	1.5
279.23227	2.1
285.22046	0.9
299.23544	1.2
301.14301	2.1
301.25070	5.8
309.17032	5.4
317.24588	2.1
319.15182	1.3
328.79803	0.8
333.17001	1.3
333.24857	0.9
335.25757	100.0
336.26086	1.8
403.24673	2.1
407.24503	1.0
417.26410	0.9
421.25671	3.3
435.27332	3.3
435.32693	3.9
449.29233	1.1
453.33569	8.9
461.28983	1.4
471.34998	3.8
473.34143	0.9
475.30948	1.6
489.35361	1.1
509.36008	2.5
527.37250	78.3
528.37555	4.2
545.38312	92.4
546.38483	5.0
559.39722	2.8
569.38129	11.8
570.38568	1.1
577.40497	2.1
587.39264	2.8
611.39508	2.6
623.39630	3.5
635.39203	5.1
653.40533	4.1
671.41614	3.8
689.42523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.4
67.05496	57.7
69.03424	12.2
69.07057	28.0
70.06587	1.5
71.04987	8.6
71.79487	1.7
73.02895	4.1
76.02254	1.0
77.03931	1.1
79.05481	56.1
81.03407	63.5
81.07040	58.1
81.07539	1.9
82.03696	1.2
83.04498	1.5
83.04971	20.5
83.08608	33.1
85.02378	1.5
85.02892	33.0
85.06518	3.3
91.03938	5.4
91.05466	55.3
93.07030	43.3
95.01319	1.0
95.04957	32.2
95.08595	32.7
97.02882	13.8
97.06518	17.7
97.10148	20.0
99.04428	1.9
99.08081	2.3
100.79226	0.9
101.06025	1.3
103.05453	1.5
105.04485	1.4
105.07014	46.8
107.04937	13.6
107.08575	38.6
109.02863	3.3
109.06493	8.7
109.10145	16.6
111.04442	4.5
111.08058	12.5
113.05972	2.8
113.09662	1.9
115.03947	1.2
115.05424	2.7
117.07006	13.8
119.04916	1.1
119.08563	34.7
121.06493	6.3
121.10130	21.7
123.04404	1.3
123.08034	4.2
123.11690	5.6
123.12491	0.9
125.05924	1.1
125.09613	13.1
127.03893	5.6
128.06190	2.1
129.05463	2.8
129.06989	14.1
131.08548	22.5
133.06470	2.9
133.10110	28.5
135.08009	5.9
135.11694	10.9
137.09583	3.8
137.13281	1.0
139.11139	1.2
141.06967	2.0
142.07762	3.1
143.08522	4.6
145.04951	4.2
145.06424	2.2
145.10094	16.9
145.11197	1.2
147.08040	4.2
147.10565	1.6
147.11668	26.6
149.09596	17.6
149.13213	5.7
151.11134	2.3
153.09109	1.8
155.08525	3.0
157.10117	18.1
159.08025	1.2
159.11687	11.8
161.09650	2.6
161.13252	5.4
163.05998	1.5
163.11183	8.6
165.09077	1.0
165.12692	4.4
166.05240	1.0
169.10080	3.9
171.10240	1.4
171.11674	3.5
173.04497	1.5
173.09645	2.0
173.11891	1.2
173.13165	5.5
175.11163	14.6
175.14751	1.2
177.12741	2.9
179.14304	2.3
181.10144	1.2
183.11670	2.8
185.13164	1.5
187.11165	2.5
189.11232	8.7
189.12796	1.4
193.12219	44.1
195.13760	1.7
197.13237	2.0
199.14880	1.9
201.12712	1.4
205.12169	1.2
209.13329	1.1
211.13258	60.3
212.13429	1.5
215.14336	1.7
227.12744	23.1
229.14340	3.0
229.19461	2.6
239.17896	2.5
245.13708	1.8
247.20531	2.6
253.18062	1.1
255.15816	4.7
257.18954	9.3
267.15878	35.2
269.17410	14.5
275.20032	44.0
276.20203	1.4
285.16925	66.8
293.21155	3.3
297.22168	1.2
313.21454	2.1
321.24081	1.0
331.22647	3.3
347.21518	1.1
349.23700	49.6
350.23886	1.4
367.24664	2.4
373.23727	1.1
381.22824	1.7
413.21466	1.3
419.24072	1.9
421.25848	1.8
431.29300	1.5
437.25409	4.4
437.33990	1.4
439.26898	8.5
445.29758	1.2
447.27487	7.1
449.30392	2.5
455.26398	6.8
461.28915	20.4
463.30331	3.8
465.28445	5.9
473.36005	1.9
474.36670	1.3
477.28308	1.1
479.30008	37.8
480.29974	1.7
501.32336	1.0
523.33966	3.3
531.36383	1.8
541.35205	50.0
542.35059	1.6
559.36237	100.0
560.36359	4.1
577.37256	15.5
581.30310	1.1
599.30688	1.8
623.33716	3.3
703.40021	2.8
713.88654	1.0
721.41565	2.2
836.65387	1.2
874.63733	1.2
929.38293	1.1
936.48047	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	933.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.05495	14.4
67.99187	0.3
69.03417	7.9
69.07055	6.4
70.03755	0.4
70.06590	0.3
70.70197	0.3
70.84422	0.4
70.84775	1.0
71.01334	1.2
71.04983	1.8
71.08617	0.6
73.02903	8.5
79.05479	8.8
81.03401	3.8
81.07038	14.8
82.07393	0.6
83.01328	0.4
83.04965	1.5
83.08607	4.0
85.02891	20.1
85.06542	0.8
87.04464	1.0
91.03941	11.3
91.05460	9.1
91.44233	0.3
93.07028	11.1
94.07361	0.5
95.04947	2.9
95.08588	12.0
97.02873	17.8
97.06519	1.6
97.10155	2.5
99.04459	1.8
99.08070	0.7
101.02357	2.2
103.05450	0.7
103.18390	0.4
105.07011	8.8
107.04961	0.7
107.08570	7.1
109.02882	1.7
109.06503	0.8
109.10127	5.5
111.04409	0.5
111.08069	0.7
115.03902	1.2
115.05408	0.7
117.07005	5.5
119.08559	7.8
121.06506	0.5
121.10130	5.4
123.08087	1.2
123.11671	1.6
125.09601	1.0
127.03896	4.8
128.06206	2.1
129.05467	0.8
129.06979	5.6
130.07803	0.4
131.08545	7.9
133.06465	0.4
133.10100	6.2
135.08051	0.7
135.11685	2.9
137.13264	0.5
141.06956	3.2
142.07773	1.5
143.08534	7.4
144.09030	0.4
145.04921	3.2
145.06006	0.3
145.06520	0.4
145.10106	6.9
147.11661	3.8
149.09581	0.5
149.13289	1.7
153.06989	0.5
154.07736	0.9
154.35788	0.4
155.08539	6.2
156.09293	0.7
157.10098	8.2
158.10646	0.5
159.07996	0.4
159.11665	5.7
161.09485	0.4
161.13222	1.9
163.05995	1.4
163.11169	0.5
163.14780	0.5
165.07025	0.7
166.07753	0.6
167.08536	4.2
168.09308	1.2
169.10106	7.8
170.10855	0.8
171.08099	0.4
171.11662	6.4
173.13252	3.1
175.11078	0.5
175.14841	1.3
179.08519	1.7
180.09354	0.8
181.10080	4.9
182.10829	0.7
183.11661	8.8
184.12157	0.5
185.09650	0.5
185.13240	4.4
187.14781	1.8
189.16431	0.6
191.08647	0.4
192.09286	0.4
193.10144	2.0
194.10921	0.5
195.11650	5.6
196.12495	0.8
197.09526	0.5
197.13239	5.8
198.13914	0.5
199.11287	0.4
199.14777	3.6
201.16452	1.3
205.10043	0.5
207.11620	1.9
208.12444	0.5
209.09624	0.4
209.13203	4.0
210.13875	0.5
211.14784	4.8
213.14702	0.4
213.16394	2.2
215.17950	0.4
219.11755	1.2
221.13231	2.1
222.13916	0.5
223.14754	4.1
225.16345	3.4
227.18036	1.6
233.13289	0.8
235.14790	1.4
237.16373	2.0
238.16792	0.4
239.17964	2.1
241.19597	1.0
243.11661	0.4
243.21114	0.4
247.14928	1.0
249.16409	1.5
251.17973	1.3
253.15634	0.4
253.19542	0.7
259.14880	0.4
261.16461	0.6
261.22134	0.7
263.18021	1.1
265.19559	0.9
271.20709	0.4
273.22086	0.4
275.17819	0.5
279.20837	0.4
281.22635	0.4
289.19388	0.5
291.20984	0.5
293.22604	0.4
295.20404	0.6
297.21890	0.5
299.20093	0.5
299.23392	0.4
303.21140	0.4
307.20657	0.6
309.21887	0.5
311.20218	0.5
311.23633	0.5
313.21729	0.7
313.27383	1.5
314.27615	0.8
321.22113	0.9
323.23666	0.6
325.21338	0.4
325.25198	0.4
335.26004	2.4
336.26007	1.6
337.25308	1.0
339.27100	0.5
349.25333	0.7
351.26874	1.4
361.25296	0.6
363.27048	0.7
365.28317	0.6
369.27963	0.6
375.26651	0.4
377.28540	0.5
379.30338	0.4
381.27637	0.4
391.29877	0.4
421.30579	0.5
449.33917	0.4
459.30350	0.4
473.33057	0.5
487.34067	0.4
501.35477	0.7
513.35614	0.5
515.38165	0.6
517.40454	3.5
525.35394	0.6
527.37256	0.9
528.37830	0.5
535.41656	1.6
539.37384	1.5
541.38971	1.2
553.39636	0.6
565.38910	0.4
591.44104	5.0
607.43243	2.9
609.45020	100.0
610.45343	8.8
611.46411	0.6
621.45001	2.3
633.44910	1.3
643.44513	0.4
645.44952	0.9
651.46313	1.7
663.46130	0.4
675.47333	0.6
681.45410	0.4
686.39319	0.9
693.46539	0.4
699.45966	1.4
704.40692	0.7
717.47180	1.5
735.48175	2.6
753.49023	2.9
754.48389	0.4
771.50275	27.1
772.50714	2.7
933.55585	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	932.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	1.0
67.05496	31.0
67.05830	1.1
67.10333	0.3
69.03426	2.1
69.07059	11.0
71.03825	0.6
71.04180	0.6
71.04930	0.9
71.08620	17.8
73.02898	3.2
73.07721	0.3
79.05482	16.7
81.03374	1.2
81.07044	37.8
81.07752	1.0
83.04924	1.3
83.08609	9.7
85.02892	14.4
85.06489	1.3
85.10172	9.7
85.34109	0.3
87.04443	0.3
89.05972	1.3
91.03943	9.3
91.05466	9.4
93.07032	22.4
94.07323	0.6
95.04961	1.4
95.08593	36.0
96.08883	0.7
97.02877	8.8
97.06483	0.9
97.10153	5.0
99.04403	0.9
99.08023	1.0
99.11711	0.7
101.05976	0.3
103.07516	1.0
105.07019	6.9
107.08578	15.0
109.02875	0.5
109.06457	0.9
109.10142	18.3
111.08002	1.0
111.11675	1.1
113.09557	0.4
115.03871	0.4
117.06998	3.7
119.07755	0.3
119.08566	5.7
121.10131	12.2
123.08052	0.7
123.11691	7.0
125.09587	0.7
125.13323	0.3
127.03904	4.0
129.05455	0.4
131.07642	0.6
131.08549	7.2
133.09167	0.5
133.10109	6.0
135.11667	9.3
137.09550	0.3
137.13223	2.3
139.11201	0.5
145.04955	5.8
145.10117	4.8
147.10538	0.5
147.11659	4.6
149.13225	6.1
151.11093	0.3
151.14755	1.0
157.10149	0.3
159.11667	4.4
161.13248	3.9
163.06010	6.5
163.11118	0.4
163.14801	3.7
164.15150	0.3
165.12682	0.3
165.16260	0.3
171.11623	0.3
173.13260	4.9
175.14722	1.4
177.16426	1.5
180.08598	0.7
185.13254	0.4
187.14809	2.3
189.16269	0.4
191.14194	0.3
201.16351	1.1
205.15852	0.3
205.69418	0.3
215.17824	0.4
219.17430	0.3
233.22659	1.5
236.41510	0.3
239.23636	2.5
243.21048	8.0
257.24680	1.4
259.20538	0.3
261.22107	36.1
262.22412	2.2
277.21512	0.4
279.23035	0.9
291.23145	0.7
299.23651	0.7
313.27316	100.0
314.27716	4.0
317.24716	6.0
333.24194	0.4
335.25757	78.8
336.26096	4.2
353.26764	0.4
381.63940	0.3
499.45151	0.9
573.48700	43.7
574.48999	3.4
591.49768	10.8
592.50153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	4.6
69.03418	11.8
69.07071	3.6
71.01335	2.3
71.04979	69.8
71.79469	1.3
72.05318	1.4
73.02905	10.0
73.06539	0.9
75.04460	5.3
79.05470	5.3
81.03414	2.6
81.07046	10.2
82.07393	0.9
83.04967	27.5
83.08585	2.8
85.02891	100.0
85.06532	2.3
86.03230	2.7
87.04456	2.7
91.05434	4.4
93.07028	8.7
95.04949	6.2
95.08586	12.5
97.02882	10.6
97.06526	2.4
97.10155	2.6
99.04430	5.3
99.08050	4.9
101.05982	1.6
105.07015	8.1
107.04926	1.8
107.07893	1.4
107.08578	16.9
109.02854	1.8
109.06514	3.0
109.10144	10.6
111.04427	21.7
111.08054	1.9
112.04763	1.4
113.02288	0.9
113.05996	1.7
115.03915	7.5
117.05470	1.5
117.06990	1.2
119.08560	8.3
121.06493	2.3
121.10130	11.6
123.04425	1.2
123.08054	2.1
123.11673	5.5
125.05946	1.6
125.09610	14.5
127.03880	4.4
127.07543	1.8
127.11160	2.3
129.04532	1.7
129.05461	27.8
129.06990	1.7
130.05791	1.0
131.08542	3.6
133.04964	2.1
133.10091	10.6
134.10431	0.8
135.08012	5.2
135.11653	4.3
137.05939	1.3
137.09610	3.7
137.13315	1.0
139.03873	1.6
139.11203	1.0
141.05475	1.0
143.08511	2.2
143.10652	26.3
144.10921	1.3
145.04929	1.3
145.10115	11.3
147.06500	8.4
147.11653	8.4
149.02306	2.7
149.09607	9.1
149.13235	8.1
151.03816	0.8
151.07542	0.9
151.11157	2.1
153.05469	4.2
157.04947	2.5
157.10086	3.5
159.06558	1.3
159.11649	7.5
161.09549	1.6
161.13214	8.5
163.05984	1.7
163.11201	1.5
163.14790	2.1
165.05602	0.8
169.04973	0.8
171.06551	2.4
171.11656	3.0
173.13275	5.7
175.14761	3.8
177.05493	1.3
177.16350	4.2
179.07098	0.9
181.10118	0.9
183.06496	0.9
183.11566	1.4
185.13242	2.8
187.14816	3.6
189.16356	7.8
189.28850	0.9
191.14319	1.1
191.17943	1.2
197.13246	1.2
199.14803	3.4
201.12677	1.0
201.16263	3.7
203.14511	0.9
203.17989	1.2
205.15874	3.5
207.17366	4.0
211.14873	1.3
213.07614	1.7
213.16440	2.4
215.14305	1.1
215.17834	3.9
217.10692	1.7
217.15848	5.7
219.13718	0.8
219.17513	1.0
225.07561	4.4
227.17918	1.8
231.17372	4.6
233.15346	1.8
235.16930	2.1
239.09105	6.6
241.19510	0.8
243.08604	4.9
249.18445	1.0
257.10193	3.7
261.09564	1.8
267.21094	1.0
275.11194	2.6
277.14337	1.2
279.10773	6.1
293.12244	4.3
379.29953	3.4
397.30914	3.7
407.33224	1.2
419.33206	3.4
425.34076	3.6
437.34125	16.1
438.34509	1.2
440.35944	1.3
455.28644	1.7
455.35150	40.2
456.35474	5.5
473.36176	68.7
474.36447	9.6
491.37161	3.8
565.38702	1.6
601.40521	3.5
605.40338	26.8
606.40497	4.3
619.41937	38.5
620.42480	4.9
622.41998	0.9
623.41333	2.2
637.43048	3.7
733.44855	1.3
751.46112	34.6
752.46216	5.0
765.46588	1.2
768.47668	1.0
769.45703	1.6
879.50122	1.5
897.52130	5.2
898.51038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5246
Annotation	Astrasieversianin XVI
Peak:m/z	Relative Intensity
65.03935	0.9
67.05495	5.9
69.03417	11.8
69.07061	2.9
70.06572	0.9
70.24843	0.8
70.25245	0.8
71.01337	1.8
71.04980	46.3
72.08141	0.5
73.02907	6.9
75.04471	4.2
77.03912	0.3
79.05471	3.2
81.03388	2.3
81.07043	6.1
83.04965	22.8
83.08620	1.1
85.02889	78.5
85.06539	0.6
86.03226	0.6
87.04469	2.3
91.05456	3.8
92.05034	0.4
93.07028	8.4
95.04950	6.0
95.08591	12.9
95.43168	0.4
97.02873	11.9
97.06532	2.0
97.10125	0.8
98.06898	0.3
99.04443	4.4
101.06015	1.0
103.03895	0.7
103.05440	0.6
105.07014	6.6
107.04944	1.2
107.07901	0.6
107.08578	9.0
108.05719	0.6
109.02853	1.8
109.06499	2.1
109.10136	8.6
111.04421	20.4
111.08080	0.6
113.02301	0.4
113.05950	1.8
114.09182	0.7
115.03909	8.3
117.05492	1.5
117.07014	1.3
119.08550	7.8
121.06468	1.6
121.10119	9.7
121.10957	0.6
123.04433	1.3
123.08046	100.0
123.11651	3.4
123.34125	0.4
124.08381	1.6
125.05946	1.0
125.09618	2.6
127.03899	3.5
127.07564	0.5
127.11169	0.7
129.05457	23.7
129.06984	1.0
130.08624	1.0
131.08556	2.3
133.04939	1.4
133.06442	1.0
133.10110	8.1
135.04410	0.6
135.08003	1.0
135.11685	6.2
137.05937	1.6
137.09547	2.1
137.13229	2.6
139.03844	1.2
139.11137	1.1
141.05502	0.5
141.09151	0.4
143.08572	2.0
143.10645	1.0
145.02882	0.4
145.04947	2.5
145.10088	4.8
146.08127	0.6
147.04430	0.5
147.06496	6.9
147.08002	1.1
147.11655	4.4
149.05927	0.8
149.09612	1.6
149.13240	3.0
149.73920	0.4
151.03870	0.6
151.07565	1.0
151.11171	0.5
151.14722	0.4
153.05449	1.4
155.08549	0.6
157.04944	1.8
157.10083	1.9
159.06483	0.5
159.07977	0.6
159.11673	4.5
161.09618	1.4
161.13251	3.3
163.03856	1.1
163.06012	1.0
163.07532	0.6
163.11177	0.8
163.14815	1.8
165.05505	0.5
165.09094	1.0
167.06982	0.5
167.10690	0.5
169.05002	0.5
169.10066	0.8
171.06522	2.1
171.11691	1.9
173.09506	0.7
173.13222	3.4
173.39940	0.4
175.07529	0.4
175.11140	1.0
175.14812	2.1
177.05403	1.5
177.09134	0.9
177.16367	1.4
179.06990	0.5
179.10623	0.4
183.06468	0.9
183.11665	1.3
185.09605	0.4
185.13203	2.0
187.11107	0.5
187.14786	3.6
189.09055	0.5
189.12688	0.6
189.16321	3.6
191.10619	1.7
191.14467	0.6
191.17906	3.5
193.12222	1.6
197.13213	1.1
199.14767	1.9
201.12607	0.6
201.16341	2.2
203.14360	0.6
203.17873	2.4
204.06491	0.4
205.12167	0.6
205.15898	0.5
207.06479	0.9
207.17317	0.8
211.14745	1.2
213.07428	0.4
213.12758	0.4
213.16335	1.7
215.14328	0.8
215.17896	1.2
217.10634	1.2
217.19426	0.5
219.13805	0.8
221.08095	0.4
225.07558	4.7
225.16307	0.5
227.17876	0.8
229.12083	0.4
229.19577	0.5
230.15413	1.0
231.08600	0.5
231.13625	0.6
239.09087	5.3
239.17989	0.6
241.19530	0.7
243.08578	4.3
245.15291	0.6
247.16936	0.6
251.11752	0.4
251.17731	0.5
253.19482	0.8
255.21083	0.9
257.10107	2.2
261.09650	2.3
271.17148	0.5
275.11230	2.0
279.10770	5.4
281.21997	0.4
285.21860	0.5
287.19864	0.4
293.12405	1.8
299.20074	0.5
301.21606	0.6
308.06033	0.4
311.13849	0.5
313.21808	2.1
315.23022	1.0
323.27145	0.9
327.22986	0.8
347.27310	0.4
351.26831	0.4
352.99185	0.4
353.28302	0.6
355.26230	0.8
360.18112	0.5
365.28198	0.5
373.27280	1.2
381.27725	0.6
383.29404	17.5
384.29868	0.8
399.28793	1.6
401.25641	0.5
401.30463	8.2
403.79654	0.4
417.30032	3.3
419.32724	0.5
419.96964	0.4
425.34222	0.5
435.32504	1.8
437.34146	2.0
443.31091	0.7
453.33621	6.6
455.35141	8.9
469.32913	0.8
471.28311	0.6
471.34543	7.6
473.36203	21.9
474.36349	1.1
489.35327	2.2
491.36884	1.1
493.32803	1.6
507.36465	0.7
511.34171	3.9
511.60324	0.4
529.34802	0.5
533.34467	0.8
547.35883	1.4
549.34149	0.8
599.38568	0.6
603.38660	3.2
605.40387	2.3
607.32904	0.9
617.02576	0.4
617.40149	0.4
621.39685	0.6
625.36707	0.4
643.37347	0.5
651.37451	4.4
679.40076	0.5
695.39709	4.0
731.41528	1.0
733.44543	0.6
749.44623	11.3
751.46027	2.0
767.45538	2.2
769.35773	0.5
789.42896	0.7
859.45435	0.5
877.48206	1.0
895.50305	45.2
896.50854	2.4
931.46924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
67.05492	4.1
67.66751	0.2
69.03416	13.1
69.07057	3.6
71.01338	1.5
71.04980	9.8
71.05299	0.1
71.08617	0.3
72.05331	0.3
73.02901	10.3
73.06536	0.5
74.09695	0.2
75.04465	16.4
77.03892	0.2
79.05476	2.7
81.03403	3.1
81.07040	7.9
81.29184	0.2
82.07362	0.4
82.76865	0.2
83.04962	7.1
83.08594	1.6
85.02888	41.8
85.06528	1.1
86.03224	0.7
87.04457	2.1
91.03928	0.7
91.05456	3.4
93.07028	6.2
95.04930	1.4
95.08097	0.2
95.08591	10.4
96.08913	0.6
97.02872	17.9
97.06531	1.0
97.10139	1.3
99.04429	3.6
99.08074	1.0
100.08390	0.2
101.02349	0.5
101.05998	5.1
103.03918	0.8
103.77792	0.2
105.06318	0.4
105.07011	6.0
107.04956	0.3
107.08572	11.2
108.08900	0.3
109.02867	2.7
109.06503	0.9
109.10136	10.0
110.10462	0.6
111.04421	8.1
111.08081	0.7
111.11685	0.3
113.05987	0.5
115.03906	7.7
117.05492	0.5
117.07010	1.4
119.08557	8.8
120.08913	0.3
121.06486	0.5
121.10120	9.8
122.10464	0.4
123.04430	0.5
123.08041	0.8
123.11686	6.8
124.12008	0.3
125.05932	0.3
125.09605	4.6
127.03888	6.1
127.07578	0.4
127.11164	2.2
128.04236	0.3
129.05457	7.7
129.06999	0.7
131.08537	2.5
133.04941	5.5
133.06482	0.5
133.10098	7.8
133.11104	0.4
135.04401	0.3
135.08029	1.2
135.11665	8.1
137.05923	0.5
137.09613	0.7
137.13237	2.6
139.03857	1.4
139.11156	0.6
141.12709	0.7
142.07735	0.3
143.08577	1.6
143.10637	5.8
144.09241	0.3
145.04942	6.2
145.10095	4.8
146.10495	0.5
147.06499	8.4
147.07840	0.4
147.11656	6.0
148.11989	0.3
149.09601	1.5
149.13225	3.5
151.03880	0.4
151.11145	0.8
151.14807	0.4
153.05484	0.4
153.12698	0.6
155.08498	0.4
157.04929	0.7
157.10081	2.8
159.06650	0.3
159.08005	0.5
159.11659	4.3
160.12445	0.3
161.09607	1.3
161.13234	4.9
162.13658	0.3
163.03920	0.5
163.05998	1.9
163.07219	0.3
163.11201	0.6
163.14772	2.3
165.05505	0.3
165.12755	0.5
167.10625	0.3
167.14302	0.2
169.04904	0.5
169.10042	1.1
171.06506	0.8
171.11678	2.4
173.09666	0.6
173.13248	3.7
175.11171	0.6
175.14792	2.3
177.05472	0.3
177.09036	0.2
177.12775	0.6
177.16377	1.8
179.10617	0.4
179.14354	0.3
183.06480	0.2
183.11641	1.1
185.09599	0.3
185.13257	2.2
187.05954	0.2
187.11143	0.4
187.14795	3.0
188.15244	0.3
189.12691	0.6
189.16371	3.1
190.16858	0.2
191.10651	0.5
191.14243	0.6
191.17889	2.7
192.18353	0.3
193.12221	0.4
193.15948	0.3
195.06480	0.3
196.12277	0.3
197.13258	1.3
198.13844	0.3
199.06047	0.6
199.11159	0.3
199.14763	2.1
201.07582	0.3
201.12775	0.7
201.16365	3.0
202.16847	0.3
203.14398	0.5
203.17902	2.4
205.15814	0.4
207.17416	0.6
209.13249	0.7
211.14806	1.0
213.07510	0.3
213.12761	0.3
213.16360	1.7
215.14253	0.5
215.17897	1.1
217.07106	0.8
217.15887	0.8
217.19437	1.3
219.17413	0.5
221.19028	0.4
223.06039	0.6
223.14757	0.6
225.07616	1.8
225.16356	0.6
227.14391	0.4
227.17949	0.8
229.15936	0.4
229.19576	0.3
230.19164	0.3
231.13739	0.5
231.17470	0.7
233.15379	0.8
233.18983	0.2
235.16879	0.3
237.16397	0.5
239.17915	0.6
241.06978	1.1
241.19511	0.9
243.08583	2.0
243.17496	0.3
245.15417	0.4
247.16945	1.4
253.19513	0.7
255.17413	0.4
255.21048	1.0
257.18954	0.5
259.08173	1.0
259.16870	0.3
259.20529	0.4
261.09747	1.1
261.18277	0.3
261.22266	0.3
267.21057	0.5
269.22656	0.6
271.20718	0.4
273.09537	0.2
273.18634	0.3
273.22125	0.6
275.20068	0.3
279.10696	1.1
279.20950	0.3
283.20563	0.4
285.22104	0.6
287.20056	0.3
293.22705	0.3
297.22101	0.5
299.23700	0.4
301.21497	0.6
303.23300	0.3
306.09741	0.2
309.25687	0.4
311.23639	0.5
313.25031	0.3
315.23090	1.8
327.23047	0.3
339.26877	0.6
351.26724	0.5
353.28226	0.3
369.27856	0.6
379.29651	0.3
387.28659	0.3
395.33133	1.7
397.31085	0.5
401.31296	0.3
407.32968	0.5
409.34592	1.7
413.34048	0.5
419.32977	2.4
423.32895	0.3
425.33878	0.8
426.34192	0.4
427.34650	0.2
435.32114	0.3
437.34088	8.6
438.34491	0.6
443.34546	0.2
453.33652	0.9
454.33899	0.6
455.35132	37.1
456.35443	2.4
471.34592	0.9
472.34967	0.6
473.36172	100.0
474.36548	5.7
489.35980	1.2
490.35956	0.8
491.37061	2.1
527.84747	0.2
587.39331	0.3
603.38715	0.5
604.39185	0.4
605.40289	6.4
606.39935	0.4
619.41260	0.6
621.39636	0.6
622.40302	0.5
623.40417	0.8
751.46405	1.5
767.45239	1.3
882.27393	0.2
895.49762	0.5
913.49976	0.6
962.70190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
67.05493	3.5
69.03417	9.1
69.06722	0.3
69.07061	3.2
70.06544	0.2
71.01337	1.8
71.04596	0.4
71.04984	8.0
73.02904	14.8
73.06531	0.6
75.04467	27.2
76.04821	0.2
79.05479	2.2
81.03403	1.0
81.07046	7.5
83.01321	0.2
83.04964	6.3
83.08603	1.8
85.02890	18.7
85.06525	1.2
87.04449	2.2
91.03922	0.2
91.05461	2.8
93.07025	6.8
95.04937	1.2
95.08590	11.0
97.02878	7.3
97.06496	0.8
97.10146	1.1
98.20597	0.2
99.04437	5.3
99.08083	0.9
101.06000	4.5
103.03905	0.5
105.07014	5.5
107.04939	0.3
107.08574	10.9
109.02854	0.6
109.06493	0.8
109.10138	10.7
111.04424	11.1
111.08070	0.5
111.11685	0.4
113.02419	0.3
113.06006	0.4
113.09628	0.2
115.03905	6.9
117.05477	1.4
117.07010	0.8
119.08560	7.6
121.06494	0.7
121.10127	9.0
121.51009	0.2
122.10506	0.2
123.04403	0.4
123.08049	0.8
123.11687	7.4
125.05976	0.7
125.09610	3.4
127.03905	1.7
127.07529	0.3
127.11185	2.3
128.06247	0.2
129.05452	7.5
129.06990	0.4
131.08540	2.4
133.04941	3.5
133.06506	0.5
133.10106	8.5
135.04416	0.3
135.08026	1.3
135.11670	8.7
137.05957	0.2
137.09628	1.0
137.13240	4.2
138.30794	0.2
139.03894	1.3
139.07553	0.3
139.11174	0.7
141.12697	0.9
142.07768	0.3
143.03346	0.3
143.08571	1.6
143.10645	6.1
145.04877	0.2
145.10095	4.3
145.11185	0.3
147.06503	5.6
147.08012	0.5
147.11662	5.4
149.05940	0.2
149.09569	1.1
149.13217	3.5
151.03864	0.4
151.07484	0.4
151.11179	0.4
151.14775	0.7
153.05460	0.5
153.09088	0.3
153.12729	0.5
155.08539	0.5
155.10677	0.2
156.09364	0.2
157.04964	1.2
157.06125	0.2
157.10107	2.5
157.69814	0.2
158.10805	0.3
159.08029	0.4
159.11681	4.7
160.12502	0.2
161.09599	1.1
161.13234	4.4
161.14513	0.3
163.03908	0.4
163.06010	0.7
163.07472	0.5
163.11128	0.6
163.14799	2.3
165.09090	0.2
165.12769	0.3
167.07059	0.2
167.14377	0.2
169.05000	0.4
169.10059	1.1
170.10823	0.3
171.06572	1.1
171.11653	2.7
173.09653	0.5
173.13239	3.9
175.11162	0.9
175.14790	2.4
177.05498	0.3
177.08998	0.2
177.12834	0.3
177.16344	2.0
179.07024	0.3
179.10677	0.6
179.14304	0.5
179.17743	0.2
181.04848	0.4
181.10083	0.2
183.11650	1.0
185.09616	0.3
185.13248	2.2
187.05997	0.2
187.11224	0.5
187.14790	3.3
188.11852	0.2
189.12700	0.5
189.16354	3.0
191.10687	0.4
191.14273	0.5
191.17896	2.7
193.12167	0.3
195.06570	0.2
195.11688	0.5
197.13231	1.3
199.06024	0.6
199.14780	1.8
201.12700	0.5
201.16333	2.5
203.14304	0.5
203.17924	3.3
205.12183	0.3
205.15790	0.3
205.19400	0.2
207.13737	0.3
209.13290	0.4
211.14761	1.1
213.07574	0.2
213.12877	0.3
213.16373	1.5
215.14328	0.7
215.17885	1.1
217.07149	0.3
217.12262	0.2
217.15880	0.6
217.19505	0.9
219.13791	0.5
219.17448	0.6
221.15427	0.2
223.14830	0.6
225.07513	1.8
225.16423	0.7
227.14365	0.5
227.17877	0.9
229.15892	0.6
229.19479	0.6
231.13799	0.2
231.17461	0.3
233.15279	1.0
233.19110	0.3
235.16843	0.4
237.16461	0.4
239.17921	0.6
241.15871	0.4
241.19458	1.1
243.08568	1.4
243.17380	0.3
243.21074	0.3
245.15341	0.8
245.19032	0.3
247.16890	1.4
251.17923	0.3
253.19577	0.6
255.17365	0.3
255.21120	1.1
257.18945	0.5
259.16983	0.3
259.20499	0.6
261.09671	1.0
261.18546	0.3
261.21924	0.2
267.17328	0.2
267.21072	0.4
269.19058	0.4
269.22568	0.5
271.20535	0.6
273.22144	0.6
275.19949	0.4
279.10730	0.8
279.21042	0.5
281.22467	0.3
283.20663	0.4
285.18503	0.2
285.22134	0.6
289.21555	0.3
297.22061	0.6
299.23685	0.5
301.21619	0.7
309.25787	0.4
311.23721	0.4
313.21671	0.4
313.25079	0.4
315.23090	1.9
333.25845	0.2
341.24567	0.3
346.26068	0.2
349.28732	0.2
351.26700	0.3
353.28467	0.3
355.26276	0.2
359.25803	0.2
363.26871	0.3
367.30127	0.3
369.27835	0.5
377.32040	0.4
387.29065	0.3
391.33496	0.3
395.33139	2.2
409.34750	1.2
419.32944	1.5
425.34344	0.2
437.34085	9.3
438.34372	0.3
455.35150	55.3
456.35507	2.8
473.36188	100.0
474.36542	5.4
491.37134	1.4
567.59943	0.2
587.39423	0.3
605.40387	11.1
606.40546	0.7
653.42633	0.3
733.45099	4.5
734.44916	0.4
735.46564	1.0
751.46106	28.4
752.46564	2.5
768.65216	0.2
769.46948	1.3
838.12744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5241
Annotation	ARDISIANOSIDE E
Peak:m/z	Relative Intensity
65.03921	0.5
67.05489	3.9
67.12154	0.1
69.03413	11.0
69.07058	2.8
69.72320	1.0
69.72738	0.3
71.01337	1.7
71.04976	57.3
71.08613	0.2
72.05293	0.3
73.02899	6.8
73.06554	0.3
75.04468	2.2
77.03910	0.2
79.05476	2.9
81.03410	1.0
81.07034	7.6
83.04960	9.0
83.08128	0.3
83.08595	2.2
85.02885	89.5
85.06500	1.0
85.49847	0.2
86.03237	0.3
87.04448	2.4
91.05456	2.9
93.07024	7.6
95.04947	1.8
95.08584	10.5
97.02871	11.6
97.06498	0.9
97.10152	1.4
98.21375	0.3
99.04431	7.7
99.08064	0.7
101.05989	0.4
103.03926	0.4
105.07007	5.6
107.04947	0.5
107.08570	11.1
107.21548	0.2
109.02826	0.8
109.06513	0.8
109.10131	10.8
111.04415	5.6
111.08060	0.5
111.11675	0.4
113.02341	0.3
113.05999	0.5
113.09624	0.2
115.03905	7.2
117.04686	0.3
117.05470	3.6
117.06997	0.7
119.04917	0.2
119.08555	7.8
121.06488	0.8
121.10112	9.2
123.04402	0.6
123.08052	0.7
123.11678	7.4
125.05986	0.5
125.09595	4.3
127.03882	2.1
127.07516	0.4
127.11157	2.8
129.05449	21.5
130.07762	0.2
131.08533	2.7
133.04953	0.7
133.06482	0.3
133.10100	8.9
135.04411	0.4
135.08063	1.1
135.11662	8.5
137.05948	0.5
137.09595	0.5
137.13219	3.1
139.03857	2.2
139.07510	0.3
139.11166	0.7
141.05484	0.4
141.12717	0.8
142.07756	0.3
143.03436	0.4
143.08586	1.6
143.10641	7.6
145.04922	2.2
145.10092	4.9
147.04448	0.2
147.06496	5.3
147.07922	0.4
147.11653	6.0
149.05960	0.2
149.09567	0.9
149.13232	4.1
151.03851	0.2
151.07552	0.5
151.11128	0.4
151.14812	0.4
153.05450	0.6
153.09062	0.4
153.12717	0.8
155.08508	0.5
156.09230	0.2
157.04942	1.1
157.10097	2.8
158.10909	0.2
159.06595	0.2
159.08051	0.4
159.11667	5.2
161.05984	0.2
161.09599	1.2
161.13228	4.1
161.14503	0.3
162.13605	0.2
163.03865	0.3
163.05995	1.8
163.07465	0.3
163.11185	0.6
163.14781	2.4
165.05457	0.4
165.09100	0.4
165.12700	0.3
167.10715	0.2
167.14279	0.3
169.04988	0.4
169.10124	0.8
170.10957	0.2
171.06487	1.5
171.07814	0.2
171.11639	2.7
171.13055	0.3
173.09608	0.4
173.13217	3.7
174.13760	0.2
175.11073	0.8
175.14789	2.3
177.05527	0.2
177.09081	0.4
177.12724	0.3
177.16359	1.8
179.06912	0.2
179.10654	0.5
179.14317	0.7
181.10181	0.4
181.12073	0.2
183.06567	0.2
183.11638	1.2
185.13234	2.7
186.13631	0.2
187.11125	0.5
187.14778	3.5
187.16496	0.2
189.12766	0.6
189.16339	3.7
191.10739	0.4
191.14256	0.4
191.17902	3.1
191.19626	0.2
193.12198	0.3
193.15921	0.2
195.06595	0.3
195.11713	0.6
197.13242	1.2
199.05919	0.3
199.11237	0.4
199.14760	2.1
201.07593	0.2
201.12752	0.2
201.16362	3.2
202.16998	0.2
203.14319	0.5
203.17921	3.1
205.12242	0.3
205.15863	0.6
205.19453	0.3
207.06383	0.2
207.13834	0.2
207.17448	0.2
209.13290	0.5
211.14807	1.0
213.12785	0.4
213.16354	1.5
215.14311	0.7
215.17834	1.3
217.12268	0.3
217.15889	0.7
217.19475	1.4
219.13786	0.4
219.17368	0.3
221.15372	0.5
223.14861	0.5
225.07516	2.3
225.16309	0.8
227.14346	0.5
227.17862	1.2
229.15723	0.7
229.19514	0.6
231.13802	0.4
231.17186	0.3
233.15295	0.8
233.18948	0.4
235.14827	0.3
235.16971	0.5
237.16444	0.5
239.17976	0.5
241.15776	0.4
241.19527	1.2
243.08577	1.8
243.17372	0.3
243.21056	0.3
245.15373	0.6
245.19055	0.2
247.16856	1.6
249.16190	0.2
249.18550	0.3
251.18033	0.3
253.19533	0.7
255.21039	1.5
257.19064	0.4
259.16934	0.5
259.20551	0.8
261.09644	1.3
261.18533	0.4
267.21045	0.4
269.18924	0.3
269.22675	0.6
271.20648	0.4
273.18723	0.2
273.22186	0.6
275.20013	0.3
279.10651	1.2
279.20947	0.5
281.22604	0.2
283.20560	0.4
283.23969	0.2
285.18762	0.2
285.22049	0.7
287.20111	0.3
289.21829	0.2
293.22504	0.2
297.22183	0.8
299.23636	0.4
301.21582	0.9
301.24838	0.2
303.23248	0.3
309.25885	0.4
311.23636	0.4
313.21634	0.3
313.25027	0.3
315.23099	2.3
319.22794	0.4
321.25751	0.2
327.23035	0.3
329.24622	0.2
333.25461	0.6
339.26926	0.3
341.24731	0.3
351.26917	0.4
367.26181	0.2
367.30188	0.2
369.27829	0.6
377.32199	0.2
385.31003	0.2
387.28961	0.2
391.33453	0.3
393.31445	0.2
395.28549	0.2
395.33044	2.1
401.31894	0.3
407.32965	0.3
409.34555	1.5
419.32993	2.0
437.34070	10.0
438.34225	0.4
455.35126	26.8
456.35278	1.0
472.05518	0.2
473.36163	41.4
474.36652	1.5
491.37527	1.1
565.38556	0.2
583.39868	0.2
587.39398	1.1
605.40344	16.9
606.40826	0.8
623.41730	0.3
653.42468	0.3
733.45044	7.0
734.45099	0.3
751.46063	100.0
752.46497	5.2
769.47192	1.3
922.87964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5452
Annotation	Rotundifolioside C
Peak:m/z	Relative Intensity
67.05495	5.7
69.03409	6.2
69.07040	3.1
69.46582	1.8
69.47002	4.1
71.01331	1.4
71.04979	62.5
73.02907	3.3
73.91576	0.6
75.04472	5.4
79.05476	3.6
81.03390	2.8
81.07037	8.7
83.04964	26.6
83.08595	2.6
83.86822	0.6
85.02888	100.0
86.03215	1.1
86.06043	0.7
87.04465	2.6
91.05459	5.3
93.07022	8.7
95.04954	6.2
95.08592	13.8
97.02871	5.1
97.06512	2.3
97.10161	1.9
99.04436	3.7
99.08073	2.7
101.05988	1.2
103.03946	0.8
105.07011	6.5
107.04938	0.7
107.08571	21.4
109.02881	2.1
109.06496	2.2
109.10135	9.7
111.04421	20.7
111.08024	1.0
111.11692	0.6
113.05988	2.8
115.03914	0.6
117.05506	1.3
117.06974	0.8
119.05058	0.6
119.08559	7.5
121.06496	2.5
121.10126	12.9
123.04416	0.8
123.08066	1.8
123.11687	5.7
125.06026	0.8
125.09608	11.4
127.03899	6.7
127.11193	2.0
129.05455	34.4
130.00264	0.5
131.08551	3.4
131.40694	0.6
133.06401	0.6
133.10118	6.0
135.08012	3.8
135.11670	9.6
137.09612	3.0
137.13217	3.0
139.03885	1.2
141.05481	0.9
143.08505	0.6
143.10645	11.3
145.05023	1.4
145.10086	6.9
147.04475	2.9
147.06493	14.6
147.07977	1.3
147.11642	6.7
149.05994	0.8
149.09586	11.1
149.13228	5.3
151.07516	0.7
151.11168	1.8
153.05455	4.5
157.04990	1.8
157.10088	2.4
159.06570	1.6
159.11659	4.6
161.09608	2.1
161.13254	4.1
163.06003	1.8
163.11166	1.3
163.14810	1.9
169.04977	1.0
171.06540	2.8
171.11678	1.3
173.13300	2.5
175.07503	0.8
175.11258	0.9
175.14758	3.2
177.05505	1.0
177.16452	1.2
183.06541	0.7
185.13263	1.3
187.14806	3.6
189.12663	0.7
189.16351	3.6
191.17908	12.4
193.08611	1.0
195.06509	0.7
199.14902	1.6
201.07632	1.9
201.16335	4.3
203.17876	3.2
205.19525	0.8
211.14769	1.3
213.07600	1.0
213.16425	2.1
215.14363	1.0
215.17964	1.3
217.15875	3.9
217.19505	1.6
219.13667	0.6
219.17480	0.6
219.21181	0.7
225.16367	0.8
227.17958	0.7
229.15756	0.7
229.19455	0.7
231.17352	4.2
233.15411	2.4
233.18948	1.0
235.16940	1.7
237.07558	0.9
239.09103	15.3
239.18019	0.7
243.17467	0.6
243.21248	1.1
245.19052	0.8
249.18582	1.7
255.08699	2.4
255.20973	1.0
257.10181	8.2
257.22751	1.2
261.18613	0.6
265.19580	0.5
267.20908	0.7
273.09616	3.0
275.11212	7.0
275.13913	0.7
283.20612	0.8
285.21967	0.7
291.10666	0.6
293.12372	7.1
309.11804	3.1
315.26926	1.2
335.27499	0.6
341.28528	0.7
351.30600	0.9
369.31509	1.6
403.33887	0.8
416.13409	0.7
421.34631	14.5
422.35123	0.7
439.35660	56.0
440.36209	2.3
455.35410	1.2
457.36716	46.4
458.37048	2.2
471.35199	0.8
473.35883	0.7
477.13110	0.7
477.32529	0.6
489.35562	0.8
601.41437	1.2
619.41992	16.3
620.42426	1.1
620.94379	0.6
747.45911	1.2
765.47705	18.4
766.47797	1.3
893.52155	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	929.5451
Annotation	Rotundifolioside C
Peak:m/z	Relative Intensity
65.03931	0.9
67.05489	5.1
69.03413	7.0
69.07059	3.5
69.67735	2.5
71.01346	1.9
71.04977	65.1
72.05365	0.5
73.02894	3.7
73.06524	0.7
75.04465	5.5
79.05478	3.5
81.03386	2.1
81.07037	9.0
83.04961	25.9
83.08607	2.5
85.02886	100.0
85.05434	1.0
85.06509	2.4
86.03230	0.4
86.06081	0.6
87.04459	2.8
89.06049	0.3
91.05457	3.9
92.67101	0.3
93.06484	0.6
93.07028	7.3
95.04951	5.5
95.08585	15.0
97.02865	4.9
97.06512	2.3
97.10152	2.8
99.04433	4.2
99.08072	3.0
101.05994	1.3
103.03937	0.9
103.05418	0.4
105.07013	6.4
107.04956	0.5
107.08570	19.1
109.02858	2.2
109.06510	1.6
109.09389	0.5
109.10135	9.2
111.04419	21.3
111.08076	0.8
111.11666	0.4
113.05984	2.7
115.03890	0.6
117.05482	1.6
117.07002	0.8
119.08552	7.0
119.09387	0.5
121.06482	1.9
121.10118	13.9
123.04435	0.8
123.08064	1.2
123.11685	5.8
125.05989	1.2
125.09608	11.5
127.03891	6.3
127.07554	1.2
127.11169	1.7
129.05449	37.0
131.08543	2.4
133.06477	0.7
133.10091	7.4
135.04402	0.4
135.08040	5.3
135.11661	9.7
137.05991	0.7
137.09590	4.3
137.13234	3.3
139.03848	0.7
139.11166	0.9
141.05446	0.9
143.08556	1.3
143.10641	16.4
144.09361	0.3
144.11008	0.3
145.04929	2.4
145.10098	6.5
147.06494	14.3
147.07816	0.6
147.11647	6.1
149.05957	1.1
149.09592	7.1
149.13214	4.3
151.03934	0.5
151.07538	0.5
151.11160	1.6
151.14757	0.4
153.05437	4.6
153.12729	0.3
157.04938	2.7
157.10126	2.3
159.06529	1.7
159.07861	0.4
159.11661	5.1
161.09557	1.4
161.13235	3.8
163.05995	2.6
163.11101	1.5
163.14774	2.2
165.07567	0.6
165.09029	0.3
167.07117	0.4
167.10655	0.6
167.14351	0.4
169.04970	0.4
169.10091	0.6
171.06514	3.4
171.11629	1.6
173.04462	0.3
173.09554	0.5
173.13190	2.6
175.11180	0.8
175.14772	2.2
177.12778	0.6
177.16399	0.9
179.07007	0.4
179.14322	0.6
183.06549	1.2
183.11673	0.8
185.13258	1.2
187.14783	3.4
189.07614	0.7
189.12697	0.6
189.16354	4.1
191.14301	0.9
191.17903	14.5
192.18266	0.3
193.08549	1.0
193.15848	0.4
195.06528	0.6
197.13286	1.0
199.05978	0.4
199.14764	1.7
201.07486	2.0
201.12701	0.4
201.16342	3.8
201.18088	0.4
203.14232	0.7
203.17912	3.2
205.15842	0.9
205.19452	0.4
207.17444	1.0
207.21034	0.5
209.13461	0.3
209.15363	0.8
211.09665	0.4
211.14873	0.4
213.07588	1.6
213.16386	2.5
215.14301	0.7
215.17868	1.7
217.10788	0.4
217.15858	3.7
217.19339	1.8
219.13885	0.6
219.17441	0.5
221.08043	0.8
225.16425	0.3
227.17958	0.9
229.15860	0.5
229.19444	0.5
231.08626	0.8
231.17426	4.6
231.21069	0.7
233.15271	2.0
233.19003	0.7
235.16891	1.6
237.07486	0.7
239.09087	16.6
239.17975	0.4
241.19550	0.4
243.08620	0.4
243.17603	0.6
243.20947	0.7
245.19043	0.4
249.18564	1.8
253.19553	0.4
255.08664	2.2
255.21092	0.9
257.10178	6.7
257.12750	0.5
257.19470	0.4
257.22632	1.6
259.20523	0.5
261.18478	0.7
269.22443	0.6
273.09653	2.9
275.11194	6.5
279.21069	0.5
281.22644	0.4
283.20438	0.4
285.22006	0.6
291.10736	0.9
293.12262	8.6
295.24313	0.4
299.23764	0.5
305.24707	0.3
309.11780	2.8
311.23987	0.3
315.26895	0.5
329.24811	0.4
335.27182	0.6
341.28506	1.1
349.28830	0.3
350.00009	0.3
351.30499	0.9
353.28430	1.0
355.26590	0.3
369.31448	2.1
383.29269	0.4
403.33459	1.0
421.28940	0.7
421.34579	12.6
422.34753	0.6
439.35638	55.6
440.35959	3.0
453.33633	0.6
457.36694	50.8
458.37210	2.5
471.34622	1.2
475.37286	0.7
489.35690	4.4
531.38293	0.4
601.40350	0.7
619.41943	19.3
620.42078	0.9
739.91119	0.4
747.46210	0.7
765.47644	20.6
766.48206	1.4
893.51758	1.0
911.53137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.9
67.05497	7.1
69.03420	13.1
69.07056	5.8
69.45066	3.4
69.45492	1.8
70.06571	3.8
71.01355	2.5
71.04983	70.0
73.02908	12.4
73.06536	0.6
75.04464	4.2
77.35055	0.5
79.05483	6.4
81.03411	2.7
81.06589	0.9
81.07047	13.7
83.04969	38.6
83.08605	2.9
85.02893	100.0
85.06537	1.8
85.44112	0.5
86.09708	1.2
87.04466	3.4
88.04003	0.6
91.05458	6.0
92.73627	0.5
93.07034	12.8
95.04963	5.6
95.08594	22.4
97.02878	12.3
97.06530	2.7
97.10157	2.5
99.04443	5.3
99.08080	1.9
101.05991	1.4
103.03945	0.7
103.05481	0.5
105.07015	9.9
107.04937	0.7
107.08579	22.8
109.02852	2.2
109.06518	3.2
109.10143	14.2
109.10722	0.3
110.26811	0.5
111.04433	15.6
111.08076	1.7
111.11721	1.0
113.02386	0.5
113.05997	2.3
113.09617	2.8
115.03912	7.5
117.05480	2.7
117.07012	2.0
119.04903	0.6
119.08569	16.0
121.06490	2.7
121.10132	18.3
122.07262	0.5
123.04440	0.7
123.08052	12.1
123.11691	8.2
125.05979	1.0
125.09615	8.5
127.03896	5.0
127.11171	1.2
129.05460	30.1
129.07002	1.4
131.08539	5.7
133.04929	1.7
133.06487	1.2
133.10117	12.6
135.08038	4.6
135.11678	15.8
137.05978	1.2
137.09595	61.6
137.13206	5.0
138.09930	0.6
139.03911	1.6
139.07570	0.7
139.11166	1.5
141.05539	0.5
141.06973	0.4
141.09077	5.1
143.08585	3.4
143.10669	7.7
145.04958	2.3
145.06438	0.6
145.10104	10.5
147.06508	10.9
147.08012	2.2
147.11670	9.2
149.05862	0.6
149.09602	5.1
149.13249	6.9
151.07532	1.5
151.11208	1.7
151.14867	0.6
153.05443	2.4
155.08495	1.8
157.04965	1.7
157.10101	5.7
159.06659	1.0
159.08031	1.5
159.10176	2.4
159.11688	10.4
161.09592	3.3
161.13237	7.3
163.06003	2.0
163.07320	0.5
163.11191	2.9
163.14796	4.1
165.12668	0.6
167.06975	0.6
167.10657	0.6
169.10121	2.1
171.06523	2.2
171.11690	4.6
172.79060	0.5
173.09641	1.6
173.13249	5.8
175.11172	1.7
175.14789	4.3
177.05634	0.6
177.09218	0.7
177.12715	2.3
177.16373	2.4
179.10631	3.1
179.14302	0.7
181.10069	1.0
183.11684	2.3
185.13232	4.4
187.11246	1.2
187.14801	5.7
189.12764	2.1
189.16365	5.4
191.10707	1.1
191.14224	1.2
191.17908	10.4
193.12242	0.7
195.11650	1.6
197.13228	3.3
199.11246	0.9
199.14799	4.1
201.07603	1.2
201.12819	1.2
201.16374	5.7
203.14230	2.4
203.17911	4.0
205.12180	0.6
205.15840	0.8
205.19649	0.5
207.06540	0.8
209.13251	1.6
211.14835	1.7
213.07538	0.7
213.12880	1.0
213.16327	3.0
215.14279	1.3
215.17986	2.2
217.10526	0.9
217.15825	2.5
217.19537	1.4
219.13799	1.3
219.17560	0.8
223.14818	1.1
225.07578	3.4
225.16417	1.4
227.14287	1.2
227.17949	1.7
229.12253	0.5
229.15834	1.8
229.19525	1.2
231.13838	1.1
231.17453	2.7
231.21237	0.6
233.15363	1.4
233.18996	0.6
235.16930	0.6
237.16354	1.1
239.09106	7.1
239.17880	1.6
241.15898	0.7
241.19458	1.2
243.08665	2.7
243.17442	0.9
243.21057	2.4
245.15317	0.9
248.32875	0.5
249.18513	0.6
251.17992	1.0
253.16037	0.8
253.19522	1.5
255.08604	1.2
255.20988	2.6
257.10202	2.9
257.15323	0.7
257.19055	0.8
257.22690	0.9
259.20514	0.7
261.09738	1.2
267.17325	0.5
267.21060	0.7
269.19119	0.6
269.22604	0.8
271.20526	1.1
273.09702	1.8
275.11282	2.4
279.10742	1.6
279.21060	0.9
281.22693	1.2
283.24109	0.9
285.18674	0.5
293.12299	3.5
293.22473	3.5
295.21124	0.7
295.24115	3.3
297.22092	0.9
299.20068	1.0
302.57718	0.5
309.11899	1.8
309.22101	1.0
311.20367	0.6
311.23581	3.0
313.21967	0.8
313.25256	1.1
315.23169	1.3
321.25821	1.0
323.27133	0.8
329.24612	1.2
335.27115	0.7
339.26773	0.8
341.28445	1.4
349.25140	0.9
349.28891	0.8
351.26733	0.9
351.30591	0.8
353.28366	1.1
357.24213	5.6
363.26764	0.6
365.28354	2.8
367.26120	0.7
367.30142	0.7
369.31622	0.7
375.25507	0.7
381.27762	0.9
383.29343	4.8
399.29095	0.7
401.30444	1.2
407.33102	0.9
411.32617	1.4
417.31177	0.6
419.33240	1.2
421.34583	6.1
423.32413	1.1
435.32568	7.5
437.34360	2.5
439.35730	23.5
441.33624	1.0
451.32132	1.2
453.33606	21.8
454.34024	0.6
455.35245	5.0
457.36728	21.4
469.33301	3.9
471.34641	27.0
472.34833	1.0
475.38406	0.5
487.33899	3.2
489.35709	84.3
490.36154	1.7
505.35297	1.8
585.37720	1.2
587.39307	1.1
601.40253	0.6
603.38739	10.1
619.41992	8.7
621.39929	40.2
622.39880	1.8
633.40228	0.7
637.39288	2.1
661.39478	1.0
731.43634	1.7
733.45209	1.0
749.44702	19.2
750.44629	0.8
765.47552	10.2
767.45605	26.0
768.45905	0.8
783.44946	1.0
893.51666	0.7
911.49457	0.9
929.50690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.8
67.05491	12.7
69.03370	1.8
69.07053	6.6
71.04947	1.0
71.08617	17.9
71.80908	1.2
73.02859	1.5
79.05482	7.2
81.03404	48.1
81.07043	15.9
83.04932	2.3
83.08610	12.9
85.02885	4.9
85.06500	1.0
85.09759	0.8
85.10165	10.6
87.04417	0.7
89.06003	1.0
91.03944	3.0
91.05467	8.9
93.07013	6.1
95.04951	14.8
95.08594	15.9
97.02887	3.5
97.06476	1.7
97.10149	4.8
99.11690	0.6
105.07005	8.6
107.04932	3.4
107.08586	4.3
109.06450	2.0
109.09489	0.7
109.10149	7.7
111.04414	1.1
111.08083	5.2
111.11659	1.8
114.09126	0.6
115.03844	0.9
117.06979	1.3
119.07867	0.6
119.08565	8.0
121.06465	1.6
121.10108	4.6
123.04356	1.1
123.07988	0.9
123.11634	2.3
125.09617	0.6
127.03922	1.5
129.06979	6.2
131.08549	4.1
133.06422	1.0
133.10110	3.1
135.08081	0.7
135.11644	1.5
137.09531	0.9
137.13203	1.5
139.11145	0.8
142.07683	1.3
145.04910	1.8
145.10114	1.4
147.08003	2.3
147.11673	5.7
149.09593	3.7
151.14746	0.5
153.51831	0.7
157.10106	6.4
160.09673	1.5
163.06029	3.4
163.11156	0.9
165.12711	0.9
171.11671	1.2
175.11171	6.4
193.12216	20.8
200.14224	0.6
211.13275	2.0
231.13652	0.8
235.13223	1.1
239.13371	0.6
240.72643	0.6
249.14821	1.6
259.13376	1.1
267.15872	100.0
268.16147	2.1
285.27768	1.4
301.13925	0.8
309.16925	3.0
313.27374	1.2
319.15549	0.7
325.12820	0.7
341.30460	96.2
342.30759	2.3
436.88107	0.7
497.18878	0.6
533.41943	87.3
534.42291	4.3
551.42798	1.7
575.42755	5.7
617.44128	1.4
629.44092	1.9
641.43872	1.4
659.44958	2.0
677.46320	1.5
902.24408	0.8
928.54260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5291
Annotation	Rotundioside M
Peak:m/z	Relative Intensity
65.03918	0.6
67.05492	6.9
69.03414	6.4
69.07053	8.2
70.06563	0.3
71.01358	1.4
71.04977	58.0
71.08621	0.3
72.05322	0.3
73.02897	3.5
75.04459	5.1
77.78957	0.2
79.05475	4.3
81.03413	2.7
81.07040	12.5
83.04963	20.7
83.08605	2.0
84.05288	0.4
85.02887	100.0
85.06522	0.6
86.03220	0.9
86.06076	0.4
87.04440	2.9
91.05457	5.0
93.07031	8.6
95.04947	3.2
95.08585	14.0
96.08921	0.3
97.02869	5.9
97.03452	0.5
97.06507	1.9
97.10139	2.3
99.04441	3.1
99.08073	1.2
101.05951	1.5
103.03930	0.9
103.05424	0.3
105.07005	8.1
105.07706	0.5
107.04938	0.9
107.08569	16.2
109.02866	2.3
109.06503	1.7
109.10133	18.2
110.10497	0.4
110.17595	0.3
111.04420	13.9
111.08045	0.7
111.11697	0.7
113.05996	1.1
117.05499	1.7
117.07002	1.6
119.08557	9.9
121.06516	1.7
121.10116	10.9
123.04415	0.6
123.08054	1.2
123.11680	10.4
125.05978	0.6
125.09611	5.1
127.03880	5.2
127.11178	0.9
128.06161	0.3
129.05452	35.5
129.07001	1.0
130.05792	0.4
131.08562	3.6
133.10095	7.9
135.04384	0.5
135.08011	1.6
135.10609	0.5
135.11662	10.5
136.12050	0.3
137.05870	0.6
137.09615	0.6
137.13216	4.4
139.03923	0.5
139.07504	0.7
139.11169	0.8
142.07706	0.5
143.08534	2.1
143.10654	0.8
144.09337	0.5
145.04935	3.3
145.06148	0.3
145.06508	0.2
145.10092	5.7
147.04539	0.5
147.06493	12.7
147.07761	0.6
147.11661	5.9
148.06844	0.4
149.05951	0.9
149.09601	2.4
149.13223	5.2
151.03937	0.6
151.07521	0.9
151.11169	0.5
151.14742	0.7
153.05434	2.9
153.08987	0.3
153.12668	0.3
155.08546	0.7
156.09309	0.5
157.04955	1.1
157.10078	3.2
158.10803	0.3
159.06488	0.6
159.07970	0.4
159.11671	5.3
161.09608	0.9
161.13216	4.4
163.05974	2.0
163.07497	1.4
163.11153	1.0
163.14786	3.3
165.07640	0.6
165.08995	0.6
165.12753	0.4
167.10663	0.3
169.04959	0.6
169.10118	1.2
171.06493	1.6
171.11670	2.6
173.09564	0.7
173.13220	3.7
175.11124	0.9
175.14774	3.1
177.05429	0.4
177.09047	1.0
177.12750	0.5
177.16368	2.2
179.07039	0.3
179.10707	0.7
179.14316	0.7
183.06456	0.7
183.11591	1.4
185.13226	2.8
187.11122	0.7
187.14780	4.6
189.07562	0.4
189.09099	0.4
189.12717	0.6
189.16341	3.6
191.05568	0.3
191.10629	0.9
191.14273	0.6
191.17915	5.5
193.08539	0.5
193.12175	0.3
195.06482	0.5
195.11595	0.4
197.13245	1.4
199.05956	0.4
199.11166	0.4
199.14763	2.4
200.27319	0.3
201.07590	0.6
201.12663	0.6
201.16359	3.7
203.10660	0.7
203.14255	0.4
203.17888	3.0
205.12245	0.6
205.15892	0.6
205.19511	0.5
207.17409	0.8
209.13272	0.4
211.09599	0.3
211.14783	1.1
213.07573	0.9
213.12755	0.4
213.16325	1.8
215.14244	0.8
215.17870	1.4
217.12263	0.4
217.15817	0.8
217.19456	1.4
219.13690	0.7
219.21059	0.3
221.08125	0.4
221.15341	0.5
223.14691	0.4
225.07498	0.4
225.16292	0.9
227.14272	0.4
227.17953	1.1
229.15846	1.1
229.19458	0.9
231.08719	0.6
231.13785	1.3
231.17426	0.7
233.15285	1.1
235.16855	0.6
237.07457	0.8
237.16220	0.9
239.09105	6.2
239.17882	0.9
241.19449	0.8
243.17381	0.5
243.20992	1.9
245.15295	1.1
247.16878	2.0
249.18475	0.3
251.17822	0.3
253.19495	0.9
255.08655	2.2
255.17345	0.4
255.21068	1.7
257.10196	3.5
257.22568	0.4
259.16882	0.5
261.18445	0.3
265.19632	0.4
267.20926	0.7
269.18878	0.3
269.22589	1.0
271.16833	0.4
273.09586	2.7
273.18643	0.3
275.11194	2.6
275.19943	0.3
279.21069	0.5
281.19092	0.3
281.22595	0.7
283.24091	0.9
285.18491	0.5
287.20016	0.5
291.10831	0.6
293.12274	2.8
293.22495	0.7
295.24048	1.3
297.22278	0.3
297.25540	0.5
299.20145	0.6
299.23544	0.5
301.21475	0.6
309.11832	2.9
309.25638	0.4
311.23602	1.2
311.27194	0.3
313.06863	0.3
313.21460	0.9
313.25104	1.8
315.23166	1.9
323.27374	0.5
331.26099	0.4
335.27264	0.4
337.28500	0.4
339.26770	0.5
341.24649	0.4
351.26816	0.6
355.26089	1.1
357.24057	0.6
357.28012	0.3
367.26187	0.4
369.27847	4.3
373.27194	1.0
377.32025	1.3
381.27747	0.9
381.35556	0.3
387.28857	1.3
391.28195	1.1
391.33627	1.1
395.33005	0.7
399.28958	0.5
401.31888	0.6
403.33224	0.3
407.33185	1.5
409.34555	3.2
419.33069	4.6
421.34689	1.4
425.33868	0.9
435.32016	0.3
437.34088	18.9
438.34262	0.9
438.65631	0.3
439.35699	4.0
455.35126	11.5
456.35486	0.4
457.36728	2.5
467.35522	0.3
471.34647	0.4
473.36288	5.7
500.07098	0.3
529.36206	0.5
547.37061	0.9
557.15155	0.3
565.38678	0.6
583.39795	0.5
617.39905	1.1
619.42432	0.4
635.41681	2.2
707.39282	0.5
747.46094	0.4
763.46179	7.9
764.45758	0.5
781.47137	14.3
782.46716	1.0
909.52032	3.0
927.52875	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	926.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03888	0.9
67.05424	24.6
67.05827	1.9
68.05769	0.6
69.03368	0.6
69.06987	5.7
69.61899	3.4
69.62313	0.7
71.04913	12.2
71.05328	0.9
71.08551	14.1
71.08980	0.7
73.02839	1.6
79.05484	6.0
81.03360	1.1
81.07043	49.3
83.04891	1.9
83.08607	8.6
85.02896	5.0
85.06528	5.9
85.10169	8.0
87.04417	0.8
91.03944	3.7
91.05460	8.0
91.13869	0.5
93.07034	6.4
95.04897	1.1
95.08590	13.5
97.02883	3.6
97.06440	1.5
97.10155	4.7
99.08041	0.6
99.11657	0.7
103.03878	0.6
105.07021	3.9
107.08592	4.7
109.06397	0.8
109.10143	9.2
109.43382	0.5
111.07993	1.0
111.11610	2.0
117.06963	1.2
118.46085	0.4
121.10030	1.9
123.11689	11.7
125.13179	0.5
127.03809	2.0
131.08466	1.8
133.10117	8.9
135.11577	1.8
137.13181	1.3
145.04845	1.2
149.13278	2.8
151.11156	5.0
159.11575	2.1
163.05904	1.6
169.12181	0.9
177.12695	1.3
183.13695	1.8
187.13225	3.9
195.13663	0.9
242.97441	0.5
257.17334	1.3
267.26752	1.0
269.17380	4.0
296.21066	0.5
301.20056	13.0
341.30457	12.4
400.47070	0.5
445.24484	1.1
509.41962	63.3
510.42395	3.1
523.43555	2.1
535.43408	6.3
537.45093	0.7
567.46118	100.0
568.46667	4.4
711.50909	0.7
823.72400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.674
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.0
67.05492	16.2
69.03385	0.9
69.07054	12.4
71.08629	0.7
73.71135	0.7
77.03922	0.9
79.05014	1.0
79.05473	13.3
81.07039	34.0
83.04958	0.9
83.08607	12.5
91.05457	16.2
93.06430	0.9
93.07022	32.3
95.04929	3.1
95.08585	60.1
97.06541	3.7
97.10146	4.1
98.21550	1.3
99.08062	0.7
100.33139	0.7
103.05441	1.0
105.07006	50.7
107.08571	54.9
109.06490	2.1
109.09386	1.7
109.10134	34.4
111.08046	2.6
112.01977	0.7
115.05386	1.1
117.06998	7.5
119.08553	64.5
121.10117	64.7
122.10489	0.8
123.08031	2.6
123.11681	23.7
125.09596	2.9
128.06236	1.0
128.56985	0.6
129.06982	3.7
130.07774	1.8
131.08537	30.3
133.10100	69.5
135.08038	2.8
135.11664	29.4
137.09586	2.0
137.13217	4.0
139.07599	1.0
142.07713	1.2
143.08537	10.6
144.09337	2.1
145.10092	40.2
147.08038	1.0
147.11653	36.3
149.09581	10.9
149.13226	20.0
151.11130	7.3
151.14793	1.8
153.09070	2.3
155.08578	2.7
156.09291	1.7
157.10088	14.7
158.10847	2.6
159.11662	38.6
160.12312	1.3
161.09628	1.4
161.13228	20.2
163.07376	0.8
163.11163	2.6
163.14786	16.2
165.09058	0.8
165.12743	1.5
165.16354	2.4
167.10641	1.4
167.14250	1.0
168.09355	0.9
169.10112	3.3
170.10931	2.2
171.11641	16.1
172.12407	2.3
173.13223	30.2
175.14784	79.5
176.15161	1.2
177.09077	1.0
177.12811	2.4
177.16342	29.7
179.10745	1.0
179.14268	1.1
183.11708	4.4
184.12488	1.6
185.13226	15.3
186.14050	1.7
187.14781	65.2
188.15242	1.1
189.16342	47.1
191.14276	5.3
191.17902	8.5
193.12115	1.2
193.15854	10.1
195.11652	1.1
197.13229	5.4
198.14020	1.0
199.14790	18.1
200.15355	0.8
201.16345	49.6
202.16759	0.9
203.14259	3.7
203.17911	43.5
204.18260	1.1
205.12247	2.5
205.15851	18.5
205.19505	2.9
207.17410	2.4
209.13289	2.0
211.14819	4.6
212.15585	2.1
213.14272	0.8
213.14735	0.4
213.16331	22.0
214.17082	5.2
215.14601	1.3
215.17909	35.1
217.15910	3.8
217.19514	2.9
219.13847	5.0
219.17358	6.8
221.15300	4.7
221.18924	1.6
223.14906	1.4
223.16896	3.7
225.16333	3.9
227.17909	9.7
227.19954	1.2
229.16048	1.4
229.19499	5.6
231.17421	7.5
231.21059	1.5
233.15337	2.9
233.19026	2.6
235.14809	1.0
235.16833	5.0
237.16415	2.1
239.17900	4.0
241.19496	7.0
242.33485	0.7
243.17432	1.1
243.21001	3.4
245.15468	0.8
245.19072	0.8
247.16949	2.9
249.18491	10.6
251.17963	1.9
253.19472	2.7
255.21092	4.1
257.22595	2.0
259.16888	7.9
261.18472	3.9
265.19553	1.7
267.20987	5.0
269.22635	2.5
271.16837	0.8
271.24045	1.1
275.07138	0.7
275.19952	1.0
279.21112	1.2
281.22531	1.6
283.24167	1.0
285.18558	1.1
293.22665	1.2
295.24033	1.0
299.20084	1.2
301.21533	1.3
305.22696	1.4
307.24033	1.4
309.25806	2.1
311.27643	0.9
313.21555	1.1
319.24167	1.7
327.23083	1.7
341.24759	5.0
351.23212	2.4
353.24738	1.7
355.26346	3.9
365.24808	1.4
369.27789	3.5
375.55283	0.8
379.26144	1.4
379.33530	4.1
383.29672	0.7
389.31946	20.2
390.32388	0.8
391.33609	2.6
399.30438	0.8
407.33023	70.2
408.33252	2.3
409.30786	2.5
409.34839	2.2
417.31445	1.6
423.32330	4.5
425.34085	17.0
435.32510	100.0
436.33029	3.5
437.34064	5.1
453.33566	37.3
454.34039	1.6
471.34607	12.0
496.01440	0.8
564.39661	0.9
697.18927	0.9
887.65088	0.9
905.66675	1.4
923.44305	4.8
924.43872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.5
69.03441	0.2
69.07042	0.3
70.06576	0.2
71.04981	0.1
71.79723	0.2
71.80139	0.2
74.37511	0.1
79.05482	0.3
81.03387	0.2
81.07045	0.3
83.04968	0.6
85.02900	1.3
85.78983	0.1
91.05466	0.3
93.07015	0.4
95.08617	0.4
97.02860	0.2
97.82465	0.1
105.07030	0.4
107.08568	0.9
109.02809	0.1
109.10148	0.4
111.04414	0.4
119.08608	0.4
121.10132	0.3
123.11674	0.3
131.08566	0.2
131.56827	0.1
131.63168	0.1
132.84476	0.1
133.10101	0.3
147.04367	0.2
157.10178	0.2
171.06523	0.6
173.13382	0.2
189.07622	0.4
246.32303	0.1
264.68796	0.1
447.14859	0.2
455.35309	0.2
465.15817	0.2
473.36563	0.2
479.35059	0.6
497.35944	0.9
528.77692	0.2
604.81116	0.2
629.40350	0.7
712.60602	0.2
775.46326	0.9
921.51611	100.0
922.52075	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	923.6743
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.1
67.05492	17.1
67.98962	0.6
69.03383	1.0
69.07055	13.9
69.58793	6.0
70.06581	0.7
71.04961	0.9
71.08600	1.2
77.03893	0.9
79.05476	12.8
81.03403	1.7
81.07039	38.9
83.04988	0.7
83.08607	7.2
85.02889	0.8
85.06528	0.8
91.05457	17.9
93.07027	35.8
95.04946	3.9
95.08588	51.9
97.06506	5.6
97.10146	2.9
99.08077	1.2
103.05470	1.0
105.07008	41.7
107.08571	52.5
109.06509	1.8
109.10132	42.7
111.08051	2.1
113.09620	1.5
116.06226	0.8
117.06998	7.0
119.08556	55.9
121.06510	1.3
121.10118	77.8
122.10412	1.1
123.08044	3.2
123.11681	31.8
125.09605	2.9
128.06163	1.3
129.06975	3.7
130.07735	1.5
131.07520	0.7
131.08540	24.4
133.10101	57.8
134.10414	0.9
135.08099	3.3
135.11665	41.2
137.09564	5.2
137.13216	4.8
142.07791	1.5
143.08525	9.8
144.09334	1.4
145.10100	34.4
147.07988	1.9
147.11658	38.9
149.09593	34.4
149.10789	1.6
149.13225	20.0
151.07668	0.9
151.11148	37.0
151.14763	1.6
153.09071	3.2
155.08511	1.8
156.09338	1.9
157.10103	11.8
158.10886	2.1
159.11664	29.0
160.12399	1.0
161.09561	1.3
161.13222	20.1
161.14494	1.3
163.11156	8.0
163.12448	0.8
163.14780	14.4
165.09038	0.7
165.12704	1.5
165.16368	2.9
167.10655	1.4
167.14198	0.8
169.10115	2.7
170.10881	0.9
171.11661	13.2
172.12422	2.7
173.09622	0.8
173.13239	24.3
175.14789	57.8
176.15102	1.1
177.12796	1.6
177.16357	23.1
177.17914	1.2
179.10585	0.9
179.14307	0.9
183.11700	2.7
184.12476	0.9
185.13200	11.2
186.14012	1.6
187.14786	54.2
189.12756	1.5
189.16350	34.5
190.16583	0.8
191.14325	3.7
191.17914	5.7
193.12190	1.2
193.15854	9.2
195.11656	0.7
197.13202	4.9
198.13956	0.8
199.14786	16.9
200.15427	1.0
201.14745	0.8
201.16345	42.9
203.14275	2.5
203.17915	47.9
204.18254	0.8
205.12225	1.1
205.15817	7.3
205.19449	2.0
207.17416	1.4
209.13280	1.3
211.14807	4.1
213.16330	25.8
214.17081	5.8
215.14368	2.4
215.17899	31.5
216.18216	1.0
217.15912	3.4
217.19499	3.2
219.13860	1.6
219.17398	6.4
221.15311	3.6
221.18954	1.8
223.14859	1.0
223.16939	2.3
225.16382	2.9
227.17860	4.8
229.15942	1.3
229.19484	3.1
231.17375	8.6
231.21019	0.8
233.15332	2.4
233.18907	3.6
235.14888	0.9
235.16762	3.9
239.17949	3.0
241.19496	8.0
243.17442	0.6
243.20934	3.5
245.19162	0.8
245.22594	1.5
247.16927	2.8
249.18460	13.6
251.17987	1.1
253.19505	2.6
255.20955	4.1
257.19711	0.8
257.22614	8.5
259.16891	10.8
261.18582	3.9
265.19559	1.7
267.20978	6.2
269.22595	2.9
271.24167	1.5
273.18414	1.0
279.21167	0.9
281.22598	1.4
287.20081	0.9
293.22794	0.7
295.24155	0.9
297.18362	1.3
299.20050	1.2
303.23062	1.9
307.23990	1.0
309.25760	1.3
311.27426	0.9
315.23288	0.9
319.24121	0.9
323.26999	1.1
327.23065	0.8
333.25858	1.3
341.24796	2.3
349.29333	0.8
355.26297	4.1
379.33533	6.2
383.29465	2.2
389.31979	17.1
391.33502	1.8
407.33023	100.0
408.33350	2.6
409.30319	5.7
409.35367	1.7
417.31323	1.0
423.32510	1.3
425.34085	19.7
425.39822	1.2
426.34668	1.2
435.32516	85.0
436.32816	2.3
437.34003	2.5
453.33588	56.8
454.33841	1.7
471.34683	13.7
546.38214	1.0
547.39063	0.7
663.65802	0.9
783.63220	0.8
923.47534	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	920.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.0
67.05494	49.3
68.05817	0.3
69.03419	1.9
69.07058	9.4
70.91666	0.3
70.92008	0.4
71.01324	0.2
71.04980	15.8
71.08591	0.3
73.02901	2.6
73.06557	0.4
77.03918	0.3
79.05480	26.4
80.06302	0.2
81.03415	1.7
81.07041	72.1
82.07391	0.4
83.04971	3.1
83.08604	6.0
85.02888	8.2
85.06527	6.2
87.04448	0.5
91.03944	4.7
91.04494	0.3
91.05009	0.3
91.05466	20.8
93.07029	30.3
94.68553	0.2
95.04957	3.4
95.08589	22.9
96.04485	0.4
97.02871	5.3
97.06514	3.8
97.10134	1.8
99.04459	0.8
99.08092	1.1
103.05463	0.3
105.04528	0.3
105.07015	12.7
107.04955	0.4
107.08572	17.4
109.02888	0.6
109.06495	1.9
109.10139	11.1
111.04459	0.3
111.08054	1.9
111.11687	0.3
112.40766	0.2
113.06002	0.4
113.09631	0.3
115.03917	0.5
117.06997	4.2
119.08556	7.3
119.09386	0.4
121.06535	0.5
121.10125	12.8
123.08042	1.2
123.11687	12.2
125.09610	0.9
127.03883	2.2
127.07545	0.4
129.05490	0.5
129.07028	0.6
130.07834	0.4
131.08546	6.9
133.10107	15.1
135.08031	0.5
135.11668	8.7
137.09583	0.5
137.13248	0.5
139.07484	0.2
139.11186	0.7
143.08549	0.6
145.04929	2.2
145.10097	4.1
147.11664	3.8
149.09663	0.5
149.13229	5.9
151.11157	5.2
153.12746	0.5
157.10074	1.1
159.11673	4.9
161.13228	2.6
163.06024	2.0
163.11189	0.5
163.14815	0.8
167.14345	0.3
169.10100	0.4
169.12222	1.0
171.11708	0.8
173.04350	0.4
173.11775	0.3
173.13222	2.5
175.14819	0.9
177.12735	1.5
177.14084	0.2
177.16241	0.3
179.14320	0.6
183.11766	0.3
183.13771	2.5
185.13295	0.6
187.13280	3.1
187.14839	1.2
191.14378	0.3
193.12251	0.2
195.13803	0.7
197.13248	0.3
199.14948	0.4
200.22229	0.2
201.14832	0.5
201.16447	0.4
213.14746	0.3
219.17357	0.3
222.56648	0.2
227.16328	1.1
229.14342	0.5
241.19739	0.3
243.15756	1.0
243.21109	0.6
253.17906	0.4
257.17435	1.5
259.20547	0.7
261.22104	2.3
263.23950	0.2
267.15903	0.3
269.17441	4.8
283.19135	0.3
285.17166	0.3
287.02158	0.2
287.23566	0.3
301.17236	0.2
301.20050	10.8
317.24747	0.8
335.25757	21.2
336.25739	0.2
349.27502	0.2
361.27499	0.3
363.25198	0.3
411.32455	0.6
413.21539	0.3
429.33459	0.3
437.34149	0.8
445.24286	1.0
455.35037	0.2
475.34216	0.3
485.36215	2.0
489.35666	0.2
503.37238	61.4
504.37894	1.4
511.37979	1.0
517.38837	2.8
529.38818	17.3
531.40454	0.3
547.40045	1.1
561.41412	100.0
562.41937	2.1
629.40692	0.3
637.41144	0.3
647.41290	1.0
673.42657	0.6
691.43689	0.5
705.45630	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.2
67.05494	55.4
69.03420	2.4
69.07059	10.7
71.00981	0.9
71.04983	18.2
71.08616	0.7
73.02898	2.5
73.06550	0.5
77.03918	0.3
79.05479	29.0
81.03422	2.0
81.07042	81.7
82.07369	0.5
83.04961	3.4
83.08609	7.9
83.76802	0.3
85.02888	10.6
85.06531	7.0
85.07021	0.5
87.04446	0.6
91.03946	6.3
91.05467	25.1
93.07029	34.4
95.04962	4.0
95.08592	24.3
96.04489	0.5
97.02873	5.4
97.06517	4.1
97.10151	2.5
99.04435	0.7
99.08079	1.0
101.04493	0.3
101.06076	0.3
103.05427	0.6
105.04527	0.5
105.07013	13.6
107.04964	0.6
107.08575	20.0
109.02899	0.5
109.06519	1.9
109.09385	0.6
109.10139	13.3
111.08060	1.9
111.11671	0.5
113.09673	0.3
115.03936	0.5
117.05547	0.3
117.06997	5.0
119.08562	8.0
119.09387	0.5
121.06521	0.4
121.10128	14.5
121.43281	0.3
123.04443	0.3
123.08082	0.7
123.11692	13.8
125.09612	1.5
127.03913	2.6
127.11229	0.3
129.05513	0.6
129.06992	1.1
131.08545	8.5
131.09560	0.4
133.10107	18.0
135.08067	0.4
135.11670	10.6
137.09618	0.6
137.13229	0.6
139.11156	0.6
143.08585	0.8
144.06587	0.4
145.04921	2.9
145.10107	4.5
147.11652	4.4
147.31001	0.3
149.09526	0.4
149.13240	6.8
151.11157	7.6
153.12729	0.8
157.10138	1.0
159.11684	6.8
159.12935	0.5
161.13257	3.1
163.06018	3.1
163.11197	0.5
163.14813	1.0
165.12715	0.5
169.10106	0.4
169.12210	0.9
171.11699	0.9
173.11797	0.7
173.13206	3.0
175.11214	0.4
175.14862	1.2
176.85590	0.3
177.12682	1.8
177.16393	0.4
179.14253	0.5
183.11819	0.4
183.13757	2.7
185.13295	0.9
187.13297	4.1
187.14833	1.5
195.13715	1.4
199.14871	0.8
201.14885	1.0
201.16502	0.5
213.14746	0.4
217.15947	0.4
227.16333	2.3
229.14388	1.3
241.19672	0.4
243.15904	0.9
243.21133	0.7
253.18079	1.0
257.17456	2.4
259.20639	0.8
261.22119	2.5
263.23425	0.3
266.13770	0.3
267.15854	0.3
269.17416	5.3
273.21979	0.3
285.17117	0.6
299.23538	0.6
301.20047	17.1
313.25296	0.3
317.24835	0.8
333.24500	0.5
335.25748	18.2
339.18152	0.4
355.26117	0.3
393.31396	0.5
399.23834	0.4
411.32581	1.5
429.33786	0.6
437.34171	1.5
445.24387	1.2
455.35223	0.8
475.35043	0.3
485.36169	3.9
503.37234	72.5
504.37695	1.3
511.37695	2.7
517.38641	2.8
529.38818	30.0
530.39282	0.9
543.39966	0.6
547.40045	1.7
561.41418	100.0
562.41840	2.6
579.42438	0.4
647.42328	0.3
655.41217	0.4
673.43195	1.1
691.43958	0.5
705.45734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.7
67.05495	63.1
69.03423	7.3
69.07056	25.0
70.06577	3.2
71.04985	6.7
71.79611	2.0
73.02898	3.8
74.06038	1.2
79.05479	49.2
81.03410	10.3
81.07043	80.1
83.04960	9.3
83.08602	19.8
85.02892	13.9
85.06513	4.9
91.03934	6.0
91.04908	2.1
91.05459	33.3
93.07027	58.9
94.07375	1.4
95.04954	13.3
95.07999	1.6
95.08593	28.7
97.02867	8.5
97.06507	15.1
97.10150	11.5
99.04424	1.6
99.08056	3.3
105.07005	29.8
107.04945	6.5
107.08575	41.3
109.02856	1.9
109.06493	5.4
109.10147	13.9
111.04403	1.3
111.08064	7.3
113.09613	1.5
115.05383	2.0
117.06992	13.0
119.04861	1.1
119.08558	20.7
121.06474	3.7
121.10131	22.4
123.08030	4.0
123.11672	5.3
125.09592	10.2
127.03867	5.3
128.06171	1.5
129.07005	3.7
130.08644	1.7
131.08545	20.4
133.06454	1.6
133.10094	21.2
135.07996	4.5
135.11665	13.2
137.09579	2.4
143.08528	5.4
145.04951	1.4
145.10097	14.3
147.11682	12.4
149.09589	10.8
149.13231	19.6
151.11160	2.4
153.09064	1.3
155.08527	2.2
157.10083	5.9
159.11693	18.3
161.09532	2.2
161.13217	3.5
163.06000	1.3
163.11206	6.4
169.10121	3.0
171.10211	2.3
171.11667	4.8
173.04408	2.2
173.11819	1.4
173.13216	4.8
175.11121	2.1
177.12704	5.7
179.14322	2.4
183.11601	3.6
185.13222	2.4
187.14766	1.5
189.11195	5.2
193.12187	2.1
195.13754	8.5
197.13156	1.6
211.13228	2.8
227.12724	23.2
227.14778	1.8
229.14314	3.2
239.17912	2.9
243.15686	1.4
247.20482	1.4
255.15834	2.4
257.19040	9.0
259.20651	3.2
262.18088	3.9
267.15891	2.7
269.17441	65.6
275.19983	28.6
276.20395	1.9
285.16910	3.8
291.19577	1.5
293.21158	2.4
331.22647	3.6
333.24246	3.2
349.23706	25.9
350.24091	1.6
365.23065	1.5
389.18549	1.2
413.21976	2.2
423.27206	6.2
433.30829	1.5
439.26801	6.4
445.29373	2.0
447.30667	2.0
449.29034	12.9
463.30481	66.0
464.30670	2.6
515.37109	2.8
517.34967	1.5
525.35583	8.6
543.36713	100.0
544.36774	3.5
561.37860	17.4
573.36389	1.3
583.30957	2.8
607.34869	6.4
687.40039	3.0
705.41888	2.8
874.56671	9.0
920.54340	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	919.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.4
69.03426	2.8
69.07050	0.5
69.54687	0.6
69.55116	1.3
70.86739	0.2
71.01347	0.4
71.04971	1.0
71.08624	0.9
73.02905	3.0
79.05494	1.2
81.03403	3.3
81.07037	1.7
83.04995	0.5
83.08597	0.9
85.02891	4.9
85.10187	0.8
87.04436	0.5
91.03941	2.5
91.05460	1.4
93.07009	1.0
95.04963	0.9
95.08574	1.6
97.02874	5.1
97.06512	0.2
98.20660	0.4
99.04459	0.7
101.02366	1.6
103.03951	0.4
105.07032	0.8
107.04964	0.2
107.08598	0.7
109.02885	0.7
109.06507	0.4
109.10191	0.6
111.08085	0.3
115.03934	0.5
119.08581	0.7
121.10136	1.0
123.11729	0.4
127.03916	1.3
129.06985	0.5
131.08517	0.9
133.10139	0.7
145.04956	0.6
147.11705	0.6
149.09576	0.9
157.10124	0.7
163.11191	0.2
167.10574	0.2
175.11252	0.6
185.04224	0.7
193.12236	1.3
201.03735	0.2
203.05302	0.8
225.14799	0.4
239.23631	0.2
243.08400	1.5
267.15891	1.0
273.76788	0.2
283.15149	3.0
313.27417	0.9
339.17545	1.0
347.09448	3.3
354.32788	0.2
363.09003	0.3
365.10684	1.2
405.13617	5.9
406.14395	0.2
430.16544	0.2
469.20599	0.5
497.30829	5.4
501.22992	10.4
502.23422	0.4
603.26117	0.3
659.36060	5.6
660.36633	0.4
663.28253	10.7
664.29102	0.5
757.46912	3.0
758.47260	0.3
887.47681	0.2
919.52191	100.0
920.52557	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	918.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.6
67.05495	15.0
69.03417	3.5
69.07059	4.3
70.03763	0.3
70.06564	0.5
70.31973	1.8
71.01325	0.4
71.04984	3.4
72.15849	0.4
73.02904	1.3
77.03916	0.3
79.05479	17.9
81.03403	43.1
81.07039	16.7
81.07531	0.5
82.03745	0.4
82.23083	0.4
83.04976	4.0
83.08603	14.6
85.02893	4.1
85.06525	1.4
91.03950	1.2
91.05461	13.7
93.07026	13.0
94.07368	0.4
95.04951	20.2
95.08592	7.7
96.08109	0.5
97.02878	3.0
97.06516	3.0
97.10151	13.2
98.20664	0.4
99.04445	0.7
99.08067	0.7
103.03919	0.3
103.05439	0.5
105.03385	0.5
105.07014	11.1
107.04936	11.8
107.08570	10.5
108.08149	0.4
109.02870	1.2
109.06506	8.4
109.10138	5.0
110.10481	0.5
111.04453	1.4
111.08059	5.3
113.05984	1.0
114.09166	0.4
115.03902	0.5
115.05426	1.3
117.06992	4.5
119.04928	1.4
119.08562	10.4
121.02828	0.5
121.06482	8.6
121.10124	8.8
123.04397	1.9
123.08054	3.5
123.11700	1.4
125.05972	0.7
125.09615	13.4
127.03911	0.9
128.06210	0.8
129.05502	0.4
129.06981	7.3
131.04932	1.9
131.08546	9.4
133.06467	4.2
133.10104	5.2
135.04378	0.8
135.08037	4.7
135.11665	2.1
137.05951	1.5
137.09612	2.1
139.07527	0.5
139.11171	0.7
141.06964	1.7
142.07780	1.1
143.08505	2.4
143.10645	0.8
145.04968	0.9
145.06470	6.0
145.10107	5.1
147.04369	2.7
147.08029	4.1
147.11658	6.3
147.12704	0.6
149.05933	0.6
149.09592	5.5
149.13234	0.3
151.07504	0.9
151.11194	0.7
153.09091	3.3
153.12709	1.2
155.08498	2.0
157.06451	1.4
157.10106	7.2
159.07986	2.2
159.11682	2.1
161.05966	1.6
161.09612	1.4
161.13303	0.6
163.03914	0.5
163.06000	1.1
163.07521	0.5
163.11165	4.4
165.12770	1.1
167.07124	0.4
167.08531	0.9
167.10660	1.0
169.10104	1.7
171.07986	1.7
171.10185	0.8
171.11708	1.9
173.09608	1.3
173.11847	0.6
173.13261	1.6
175.03862	0.4
175.07529	0.7
175.11160	7.0
175.12630	0.5
177.05408	0.8
177.12735	1.3
179.08469	0.4
181.06403	0.4
181.10086	1.1
183.08069	0.6
183.11688	1.0
185.09700	1.1
185.13214	1.9
187.07535	0.4
187.11125	1.7
187.14819	1.1
189.09236	0.7
189.11203	8.2
189.12744	1.5
191.10701	0.7
191.14282	1.4
193.12209	17.2
195.08017	0.6
195.11702	1.4
197.09598	1.0
197.13257	1.5
197.15164	0.3
199.11212	2.0
199.13269	1.1
201.12787	0.9
203.14333	0.7
205.12091	2.1
205.15948	0.6
207.11864	0.8
207.13776	0.7
209.13312	0.5
211.11165	0.9
211.13248	1.8
213.12665	1.4
215.14278	2.5
217.12202	1.7
219.13744	3.3
223.11206	0.7
223.13287	1.5
225.12753	1.3
227.12518	2.2
227.14630	0.7
231.13817	1.3
233.15326	3.6
235.11205	0.5
235.13036	1.6
237.12662	1.5
239.14330	0.8
241.12195	0.5
241.14297	0.7
243.13866	0.9
245.15411	1.2
247.17044	0.5
249.14909	1.8
255.13795	2.1
257.15372	0.9
259.13220	1.9
261.14850	0.7
263.16495	0.5
267.15869	47.7
268.16217	1.1
269.15369	0.8
271.16812	0.5
273.14719	7.2
275.16437	0.9
277.14291	0.5
281.15482	0.5
283.16776	0.7
285.12524	0.4
287.16458	0.8
289.14432	0.7
289.17932	0.9
291.16080	0.4
293.17563	1.2
299.16223	0.5
301.14145	0.4
301.17551	0.4
303.04974	0.6
309.17041	1.1
311.16443	0.5
321.22131	0.8
331.20636	0.7
339.23126	3.1
349.21603	5.9
357.24197	2.7
367.22644	12.9
368.22882	0.7
385.23657	20.2
386.24088	1.4
397.22870	0.3
403.24759	5.9
403.29840	0.2
405.24319	0.6
423.25293	1.0
441.16968	0.4
441.26291	11.1
459.27347	99.7
460.27686	3.7
465.82095	0.4
474.36365	0.7
477.28403	100.0
478.28714	3.6
491.29971	15.4
501.28369	5.5
509.31039	8.0
513.28278	1.8
519.29474	1.1
525.28217	0.5
531.29437	1.9
541.33710	1.0
543.29407	2.5
555.29449	1.1
567.29486	5.4
573.30914	0.6
585.30426	2.3
603.30859	1.6
621.31952	0.6
729.34924	0.5
918.46936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90926	0.7
67.05493	4.7
69.03419	11.6
69.07047	2.9
70.89226	0.7
71.01341	2.5
71.04980	65.6
72.05295	0.8
73.02905	10.0
73.06537	1.1
74.51559	0.9
75.04465	6.0
79.05472	3.3
81.03408	2.4
81.07045	9.3
83.04962	27.0
83.08600	2.1
85.02889	100.0
85.06513	2.6
86.03252	1.0
87.04458	3.3
91.05481	4.3
93.07030	5.7
95.04952	5.1
95.08587	10.0
97.02872	13.5
97.06506	3.0
97.10156	2.4
98.20566	1.6
99.04453	5.2
99.08094	2.4
101.06000	1.2
103.03934	1.5
105.07012	5.2
107.04945	1.2
107.08576	17.0
109.02874	1.6
109.06502	2.0
109.10135	6.4
111.04418	26.8
113.02402	1.1
113.05988	3.2
115.03919	8.6
117.05485	1.7
117.06972	1.1
119.08557	6.4
121.06477	2.4
121.10131	11.9
122.39622	0.7
123.04404	1.0
123.08074	1.4
123.11668	4.3
125.05956	1.1
125.09610	10.6
127.03894	4.0
127.07607	0.8
127.11230	0.8
129.05455	34.1
131.08582	2.2
133.04935	1.6
133.10094	5.2
135.04430	1.2
135.08047	3.2
135.11665	7.0
137.06029	1.0
137.09605	1.8
137.13208	3.7
139.03857	3.4
141.05550	0.7
143.08429	0.8
143.10645	18.1
143.11703	1.3
145.04947	1.2
145.10094	6.3
147.06497	12.1
147.07713	1.0
147.08090	1.0
147.11656	3.4
149.06004	1.1
149.09579	7.8
149.13249	3.5
151.07533	1.5
151.11162	1.3
153.05452	4.1
157.04912	3.7
157.10117	1.4
159.06543	1.6
159.11678	4.9
161.09622	0.9
161.13248	3.8
163.05997	1.4
163.14825	1.3
165.05519	1.1
165.07625	1.0
169.04840	1.0
171.06555	2.7
171.11653	1.4
173.13264	2.9
175.14815	1.4
177.16377	0.9
178.05057	0.9
183.06584	1.1
183.11728	0.7
185.13210	1.2
187.14786	3.8
189.12709	0.9
189.16391	2.9
191.14297	1.1
191.17905	10.8
195.06509	1.1
199.14830	1.0
201.16385	3.2
203.17947	2.4
213.07529	1.6
213.16478	1.8
215.17769	1.1
217.15919	3.5
217.19728	0.8
225.07541	8.0
231.17430	3.0
233.15390	1.8
235.16939	1.1
239.09120	12.0
243.08609	6.6
249.18544	1.4
257.10202	6.8
257.22507	0.9
261.09650	4.5
275.11188	6.5
279.10718	10.7
293.12280	7.0
341.28494	0.9
351.30603	0.8
353.27957	1.0
421.34503	8.7
427.10406	0.7
439.35657	46.4
440.36102	2.7
457.36694	73.9
458.37112	5.1
473.36346	1.0
474.36639	1.5
475.37805	1.6
559.32617	0.8
589.40887	24.2
590.41364	2.2
688.22687	0.8
735.46643	28.0
736.46710	2.1
863.51379	1.3
881.52319	11.9
882.51630	1.1
898.50525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.1
67.05495	8.4
69.03410	17.4
69.07057	4.2
70.06594	1.0
70.20109	0.6
71.01337	1.9
71.04977	56.6
72.05314	2.9
73.02900	9.3
73.55672	0.7
75.04456	4.2
79.05475	6.0
81.03400	5.8
81.07040	12.6
83.04961	24.7
83.08601	2.9
85.02887	100.0
85.06535	0.7
86.03204	5.7
87.03316	1.1
87.04468	3.5
91.03930	1.0
91.05460	6.6
93.07027	8.7
95.04960	6.2
95.08583	14.6
96.08919	1.3
97.02872	17.7
97.06525	3.3
97.10167	2.1
98.03198	1.0
99.04434	6.9
99.08059	1.3
101.05984	0.8
103.03937	1.1
103.05447	1.2
105.07010	7.7
106.07308	0.8
107.04932	1.9
107.08576	12.7
108.08921	2.1
109.02856	3.4
109.06502	4.1
109.10133	11.9
110.10479	1.6
111.04424	13.9
111.08076	0.9
112.04730	0.8
113.05981	3.0
114.09167	1.2
115.03901	8.1
115.05477	0.9
117.05477	2.1
117.07013	1.9
117.26096	0.7
118.09219	0.7
119.04938	2.8
119.08556	11.9
120.08087	0.8
120.08871	0.9
121.06453	2.7
121.10126	12.1
122.10438	1.8
123.04366	1.4
123.08042	49.5
123.11664	5.6
124.07506	1.1
125.05958	1.6
125.09615	3.0
127.03889	6.0
129.05457	25.5
129.06921	1.4
130.05818	1.6
131.08524	4.5
133.04951	2.3
133.06435	0.9
133.10110	8.0
135.04414	1.2
135.08032	2.3
135.11681	9.3
136.12030	1.4
137.05972	3.2
137.09569	6.5
137.13237	3.0
139.03918	1.5
139.11166	0.9
141.05409	1.0
143.08531	1.0
143.10634	2.1
145.02815	1.9
145.04919	4.0
145.10098	5.3
146.10402	0.8
147.04477	4.0
147.06490	9.8
147.08046	1.2
147.11681	4.5
149.05974	1.8
149.09593	2.7
149.13211	4.3
151.03928	1.0
151.11108	1.2
153.05518	1.0
153.12746	1.0
157.04922	1.2
157.10124	2.6
159.08148	1.0
159.11688	5.0
160.09674	1.0
160.12024	1.0
161.09564	1.8
161.13232	4.2
163.03868	1.8
163.06047	1.8
163.11163	2.3
163.14801	2.2
165.09122	2.1
165.12723	1.0
167.07053	1.2
169.10138	0.9
171.06519	2.2
171.11679	2.1
173.09599	1.3
173.13185	3.9
175.07570	0.8
175.11154	0.9
175.14813	3.0
177.05440	4.5
177.12726	1.5
177.16333	2.0
179.10649	7.7
179.14343	0.9
183.11621	1.4
185.13278	2.0
187.05920	0.8
187.11086	0.9
187.14777	4.8
189.12695	1.2
189.16342	3.2
191.10562	0.9
191.17909	7.7
193.12219	1.5
197.13199	0.9
199.14781	1.2
201.16373	3.5
203.17940	2.0
205.06847	0.9
207.06624	1.1
207.13835	1.6
213.16345	1.7
215.14291	0.9
215.17944	1.5
217.19566	1.4
225.07584	4.2
229.15901	2.0
231.20917	1.0
239.09068	4.3
239.11475	0.8
239.18025	1.1
243.08601	2.5
247.16800	1.5
257.10132	2.0
257.22556	3.8
261.09763	2.1
265.09003	0.9
267.15701	1.1
271.24109	1.2
273.18427	1.0
275.11328	1.5
279.10846	4.0
293.12378	2.1
295.24084	1.5
299.23114	0.8
301.16479	0.9
313.25220	1.4
351.26855	1.0
367.29926	1.3
369.27823	1.0
381.93033	0.9
385.30765	1.6
409.83453	0.8
410.91541	0.8
419.33167	1.1
420.50638	0.9
437.34073	18.3
438.34192	2.5
439.35098	2.8
453.33456	1.2
455.35104	35.9
456.35422	5.4
457.35895	7.1
471.34515	2.4
473.36182	41.6
474.36603	19.4
475.36838	16.2
489.35416	4.2
491.36969	1.5
525.83875	0.8
587.39313	5.5
591.32886	1.2
605.40369	11.6
606.24207	2.4
606.40784	1.7
607.41223	1.6
693.28772	1.2
729.30225	1.2
733.44965	24.0
734.45148	1.6
735.46313	1.4
751.46014	34.1
752.46661	1.6
753.45789	3.1
769.45721	1.8
879.50879	9.6
897.49646	1.9
915.48907	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	915.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.8
67.05485	6.2
69.03415	10.1
69.07042	3.3
70.98955	1.7
71.01340	2.3
71.04981	79.6
73.02903	13.2
74.45700	0.5
75.04469	5.3
79.05487	5.0
81.03389	1.5
81.07042	13.0
82.77618	0.6
83.04966	28.4
83.08588	3.3
85.02889	100.0
85.06522	2.6
86.03245	0.8
87.04446	3.1
87.54166	0.6
91.05456	6.0
93.07025	10.4
95.04966	6.4
95.08595	13.4
97.02877	9.8
97.06525	2.1
97.10149	3.3
99.04428	3.9
99.08086	4.5
101.06020	1.3
101.22758	0.6
103.03912	1.3
105.07005	12.1
107.08573	27.3
109.02867	0.8
109.06497	2.5
109.10136	13.2
111.04426	20.1
111.08089	1.7
113.02316	0.9
113.05963	2.7
115.03908	8.1
117.05476	1.1
117.06979	1.8
119.08558	12.4
121.06473	1.9
121.10127	17.3
123.04419	1.3
123.08036	2.0
123.11700	5.4
125.06020	1.2
125.09608	18.6
127.03922	2.9
127.07547	1.9
127.11189	2.2
129.05455	28.7
129.06918	1.2
131.08542	6.6
133.04941	2.0
133.06473	1.0
133.10101	12.9
133.11130	0.8
135.04462	0.9
135.08032	7.0
135.11671	6.0
137.05992	0.9
137.09613	4.2
137.13266	1.0
139.03865	2.2
139.11189	1.7
142.07718	0.6
143.08536	2.7
143.10651	35.5
145.10110	14.5
147.06496	9.5
147.08113	1.2
147.11664	9.8
149.06032	1.3
149.09590	18.2
149.13232	12.7
151.11174	2.1
153.05460	3.4
157.04962	2.1
157.10083	4.4
159.06555	1.3
159.11653	10.2
159.12910	0.7
161.09622	2.1
161.13251	13.4
163.06006	1.3
163.11203	2.3
163.14819	2.7
165.12787	1.1
167.10730	2.2
169.10094	1.0
171.06520	3.2
171.11591	3.5
173.09647	0.9
173.13220	9.2
175.11163	1.7
175.14769	5.0
177.12762	1.4
177.16360	4.0
183.11665	1.3
185.13235	3.0
187.14784	6.8
189.12749	1.1
189.16354	12.1
189.18018	0.9
191.14311	1.8
191.17944	1.5
197.13243	1.9
199.09659	0.8
199.14801	4.8
201.07578	1.2
201.16344	4.2
203.14340	0.8
203.17989	2.1
205.15858	5.2
207.17455	4.9
209.13327	0.8
211.14813	0.9
213.07524	1.0
213.16354	5.0
214.01765	0.7
215.14389	1.4
215.17941	4.6
217.10692	2.9
217.15823	7.6
217.19499	1.4
219.17473	1.8
223.14810	1.2
223.16891	0.9
225.07567	4.2
227.18039	0.9
229.15881	1.7
229.19481	1.0
231.17410	7.5
233.15302	3.6
233.18965	1.6
235.16924	2.1
239.09062	6.5
239.17914	1.8
241.19600	1.3
243.08690	3.2
245.18684	0.7
249.18541	2.6
253.19469	1.7
255.21053	1.7
257.10217	2.2
261.09784	2.3
265.19586	1.0
271.20706	1.0
273.22198	1.4
275.11346	1.8
279.10730	5.2
281.22711	0.7
285.22021	0.8
293.12173	4.6
293.22720	0.9
299.23651	1.4
309.25775	1.1
311.23752	1.5
313.25183	1.0
331.26346	1.8
339.26965	1.1
351.26804	1.0
357.28171	1.0
361.29071	0.8
367.29874	1.6
379.29993	5.8
385.31339	0.7
397.30847	8.4
407.33191	2.7
419.33136	7.7
421.34613	0.8
425.34061	6.8
437.34097	28.5
438.34247	1.5
439.35803	1.4
442.42963	0.7
446.19067	0.7
455.35144	56.9
456.35397	3.5
457.36658	1.6
473.36194	68.7
474.36789	2.7
491.37253	3.9
531.36975	0.6
583.39746	1.5
587.39282	4.9
601.40784	7.4
605.40381	31.9
606.40692	2.8
619.41949	47.0
620.41797	3.8
637.43500	0.7
713.11316	0.7
733.45166	8.9
751.46130	35.1
752.46472	3.7
879.50214	1.2
897.51404	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.1
67.05495	8.4
69.03410	17.4
69.07057	4.2
70.06594	1.0
70.20109	0.6
71.01337	1.9
71.04977	56.6
72.05314	2.9
73.02900	9.3
73.55672	0.7
75.04456	4.2
79.05475	6.0
81.03400	5.8
81.07040	12.6
83.04961	24.7
83.08601	2.9
85.02887	100.0
85.06535	0.7
86.03204	5.7
87.03316	1.1
87.04468	3.5
91.03930	1.0
91.05460	6.6
93.07027	8.7
95.04960	6.2
95.08583	14.6
96.08919	1.3
97.02872	17.7
97.06525	3.3
97.10167	2.1
98.03198	1.0
99.04434	6.9
99.08059	1.3
101.05984	0.8
103.03937	1.1
103.05447	1.2
105.07010	7.7
106.07308	0.8
107.04932	1.9
107.08576	12.7
108.08921	2.1
109.02856	3.4
109.06502	4.1
109.10133	11.9
110.10479	1.6
111.04424	13.9
111.08076	0.9
112.04730	0.8
113.05981	3.0
114.09167	1.2
115.03901	8.1
115.05477	0.9
117.05477	2.1
117.07013	1.9
117.26096	0.7
118.09219	0.7
119.04938	2.8
119.08556	11.9
120.08087	0.8
120.08871	0.9
121.06453	2.7
121.10126	12.1
122.10438	1.8
123.04366	1.4
123.08042	49.5
123.11664	5.6
124.07506	1.1
125.05958	1.6
125.09615	3.0
127.03889	6.0
129.05457	25.5
129.06921	1.4
130.05818	1.6
131.08524	4.5
133.04951	2.3
133.06435	0.9
133.10110	8.0
135.04414	1.2
135.08032	2.3
135.11681	9.3
136.12030	1.4
137.05972	3.2
137.09569	6.5
137.13237	3.0
139.03918	1.5
139.11166	0.9
141.05409	1.0
143.08531	1.0
143.10634	2.1
145.02815	1.9
145.04919	4.0
145.10098	5.3
146.10402	0.8
147.04477	4.0
147.06490	9.8
147.08046	1.2
147.11681	4.5
149.05974	1.8
149.09593	2.7
149.13211	4.3
151.03928	1.0
151.11108	1.2
153.05518	1.0
153.12746	1.0
157.04922	1.2
157.10124	2.6
159.08148	1.0
159.11688	5.0
160.09674	1.0
160.12024	1.0
161.09564	1.8
161.13232	4.2
163.03868	1.8
163.06047	1.8
163.11163	2.3
163.14801	2.2
165.09122	2.1
165.12723	1.0
167.07053	1.2
169.10138	0.9
171.06519	2.2
171.11679	2.1
173.09599	1.3
173.13185	3.9
175.07570	0.8
175.11154	0.9
175.14813	3.0
177.05440	4.5
177.12726	1.5
177.16333	2.0
179.10649	7.7
179.14343	0.9
183.11621	1.4
185.13278	2.0
187.05920	0.8
187.11086	0.9
187.14777	4.8
189.12695	1.2
189.16342	3.2
191.10562	0.9
191.17909	7.7
193.12219	1.5
197.13199	0.9
199.14781	1.2
201.16373	3.5
203.17940	2.0
205.06847	0.9
207.06624	1.1
207.13835	1.6
213.16345	1.7
215.14291	0.9
215.17944	1.5
217.19566	1.4
225.07584	4.2
229.15901	2.0
231.20917	1.0
239.09068	4.3
239.11475	0.8
239.18025	1.1
243.08601	2.5
247.16800	1.5
257.10132	2.0
257.22556	3.8
261.09763	2.1
265.09003	0.9
267.15701	1.1
271.24109	1.2
273.18427	1.0
275.11328	1.5
279.10846	4.0
293.12378	2.1
295.24084	1.5
299.23114	0.8
301.16479	0.9
313.25220	1.4
351.26855	1.0
367.29926	1.3
369.27823	1.0
381.93033	0.9
385.30765	1.6
409.83453	0.8
410.91541	0.8
419.33167	1.1
420.50638	0.9
437.34073	18.3
438.34192	2.5
439.35098	2.8
453.33456	1.2
455.35104	35.9
456.35422	5.4
457.35895	7.1
471.34515	2.4
473.36182	41.6
474.36603	19.4
475.36838	16.2
489.35416	4.2
491.36969	1.5
525.83875	0.8
587.39313	5.5
591.32886	1.2
605.40369	11.6
606.24207	2.4
606.40784	1.7
607.41223	1.6
693.28772	1.2
729.30225	1.2
733.44965	24.0
734.45148	1.6
735.46313	1.4
751.46014	34.1
752.46661	1.6
753.45789	3.1
769.45721	1.8
879.50879	9.6
897.49646	1.9
915.48907	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	915.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.6
66.20079	0.5
67.05493	5.5
69.03416	12.5
69.07053	3.7
71.01350	2.6
71.04979	62.8
73.02902	8.5
73.06536	0.6
75.04473	4.3
79.05477	3.7
81.03410	2.2
81.07044	7.8
83.04967	26.7
83.08604	2.4
85.02888	100.0
85.06524	1.3
86.03212	0.5
87.04440	3.6
91.05436	2.5
93.07024	7.4
95.04957	4.5
95.08589	12.0
95.66083	0.4
96.08880	0.6
97.02876	13.4
97.06516	1.9
97.10162	1.2
97.25359	0.5
99.04434	6.4
99.08081	1.1
101.06006	1.1
105.07024	6.0
107.04953	1.0
107.08571	12.1
109.02863	1.5
109.06512	1.4
109.10135	11.0
111.04421	22.8
113.02357	0.6
113.05994	2.4
115.03891	8.4
117.05458	2.8
117.06979	1.1
119.08553	8.8
120.02306	0.5
121.06487	1.5
121.10121	8.5
123.04401	0.8
123.08104	0.9
123.11686	7.6
125.05953	0.8
125.09605	4.6
127.03905	1.9
127.11131	2.8
129.05452	27.4
129.06938	1.0
131.08562	1.9
133.04945	1.8
133.06416	1.0
133.10104	9.6
135.08066	1.5
135.11668	9.3
137.05930	0.6
137.13258	2.9
139.03885	3.0
139.11218	0.8
141.05542	0.8
141.12685	1.2
143.08549	1.6
143.10648	9.7
145.04930	2.0
145.10100	5.1
147.04527	0.5
147.06494	10.7
147.08080	1.0
147.11682	5.8
149.05948	1.2
149.09604	0.8
149.13220	4.3
151.07474	0.8
153.05466	2.3
157.04959	2.1
157.10168	2.4
159.11649	5.3
161.09619	1.1
161.13210	4.7
163.06017	0.8
163.11142	0.6
163.14786	2.8
165.07684	0.7
165.09068	0.6
171.06516	2.6
171.11642	2.8
173.13226	4.2
175.11179	0.7
175.14810	2.3
177.16403	1.8
179.06993	0.8
179.10681	1.2
183.06581	0.7
183.11679	0.8
185.13252	2.4
187.11177	0.6
187.14780	3.6
189.16370	2.6
191.17865	2.9
195.06537	1.1
197.13260	1.1
199.14796	2.8
201.07506	1.2
201.16377	4.1
203.17894	2.7
211.14835	1.4
213.07727	0.7
213.16446	1.6
215.17967	1.4
217.19514	1.2
225.07527	6.5
225.16348	1.0
227.18044	0.9
229.19531	0.6
233.15388	0.7
239.09109	9.7
241.19537	1.2
243.08620	3.9
245.15550	0.7
247.17091	1.1
253.19548	0.9
255.21133	1.7
257.10107	3.7
261.09644	3.2
267.21307	0.8
269.22702	0.8
273.22333	0.8
275.11230	3.2
279.10672	4.2
293.12344	1.7
301.21570	0.9
315.23199	2.7
367.30124	0.8
369.27884	0.6
395.32980	2.5
409.34610	1.6
419.33133	2.2
437.34116	10.5
438.34824	0.7
455.35159	35.0
456.35583	2.7
457.36649	1.0
473.36179	73.3
474.29947	0.7
474.36606	5.5
475.37085	1.0
491.37283	2.3
587.39227	1.2
605.40369	28.9
606.41125	1.8
623.40985	0.6
715.43964	0.8
733.44855	5.0
747.76929	0.6
751.46100	80.9
752.46344	7.3
769.46637	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	915.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.0
67.05487	5.6
69.03416	11.3
69.07057	2.6
71.01342	2.6
71.04978	77.9
71.08617	0.3
72.05298	0.4
73.02901	11.1
73.03312	0.6
73.06534	1.1
75.04469	4.9
76.33328	0.2
79.05057	0.5
79.05479	5.0
81.03407	1.8
81.07041	10.3
81.07529	0.5
83.04963	31.1
83.08590	2.5
84.09644	0.3
85.02888	100.0
85.06526	3.4
86.03221	0.6
87.04449	3.3
89.06026	0.5
91.05449	4.1
93.07028	9.2
95.04951	6.3
95.08591	10.8
96.08902	0.3
97.02869	10.5
97.06517	2.5
97.10144	2.9
98.20694	0.4
99.04427	4.2
99.08078	4.5
101.05991	1.2
103.03925	1.1
105.06307	0.6
105.07008	10.3
105.07697	0.6
107.04940	1.1
107.08570	21.9
109.02869	1.2
109.06498	2.0
109.09382	0.6
109.10133	11.0
111.04422	23.7
111.08057	1.6
113.02361	0.5
113.05972	2.8
115.03911	7.8
115.05434	0.4
116.65515	0.2
117.05477	1.2
117.06993	1.4
119.07707	0.6
119.08558	10.1
121.06499	1.5
121.10117	14.3
123.04390	0.7
123.08043	1.7
123.11687	4.2
125.05971	1.4
125.09604	16.9
126.09966	0.3
127.03893	2.0
127.07556	1.8
127.11149	2.1
129.05450	27.8
129.07028	0.8
130.05763	0.3
130.07753	0.3
131.08533	5.2
133.04990	1.8
133.06467	0.6
133.10106	10.8
135.04388	0.6
135.08026	6.5
135.11665	4.9
137.05969	1.0
137.09586	3.4
137.13235	1.0
137.50488	0.2
139.03888	2.7
139.11153	1.3
141.05449	0.8
142.07713	0.5
143.08563	2.1
143.10646	29.9
144.11032	0.4
145.04900	0.8
145.08931	0.6
145.10092	12.1
147.06490	9.8
147.08009	0.7
147.11652	9.9
149.05959	0.6
149.09592	12.1
149.13220	10.7
151.03877	0.6
151.07558	0.6
151.11147	2.1
153.05428	3.4
153.12706	0.3
155.08495	0.4
157.04939	2.9
157.10098	3.9
158.10881	0.3
159.06516	1.0
159.07881	0.3
159.11670	9.2
161.06076	0.3
161.09634	1.6
161.13226	12.0
163.05983	1.2
163.11177	1.5
163.14845	1.4
165.05472	0.6
165.07610	0.2
165.09146	0.3
165.12735	0.7
167.07037	0.3
167.10657	1.0
167.14331	0.6
169.04929	0.7
169.10124	0.9
171.06529	2.5
171.11638	3.2
172.12405	0.3
173.08099	0.3
173.09587	0.5
173.13219	6.3
175.11156	0.8
175.14789	4.8
177.05490	0.4
177.12753	0.8
177.16350	4.9
179.06990	0.8
179.14246	0.7
181.10243	0.4
183.06583	0.8
183.11629	1.0
185.08150	0.4
185.13242	2.6
187.06079	0.3
187.11176	0.5
187.14780	4.8
189.07591	0.5
189.12747	0.7
189.16356	8.5
191.14301	1.0
191.17986	0.7
193.08575	0.7
195.06535	0.7
195.11711	0.4
196.12413	0.5
197.13182	1.3
198.14081	0.3
199.05907	0.3
199.09596	0.6
199.14767	3.4
201.07549	1.0
201.12679	0.5
201.16351	4.6
203.09087	0.3
203.14305	0.6
203.17961	1.7
205.15845	3.9
205.19194	0.2
206.16158	0.3
207.06511	0.5
207.17407	3.6
209.13324	0.5
209.15359	0.6
210.14055	0.3
211.14848	1.1
213.07611	1.0
213.16342	3.9
215.14343	1.2
215.17909	3.0
217.10718	1.9
217.15842	6.5
217.19412	0.5
218.95808	0.3
219.13861	0.4
219.17465	1.1
223.14755	0.7
223.16885	0.3
225.07535	5.5
225.16354	0.9
227.17940	1.0
229.15842	0.9
229.19478	0.9
231.08667	0.7
231.17386	6.2
233.15309	2.9
233.18872	1.2
235.16827	1.7
237.16350	0.7
239.09099	8.4
239.17975	0.8
241.15881	0.3
241.19534	0.7
243.08592	4.0
243.17442	0.7
243.20949	0.5
245.19020	0.5
249.18559	2.0
251.18011	0.5
253.19499	1.2
254.99068	0.3
255.21101	1.1
257.10184	3.0
259.20648	0.4
261.09662	2.4
263.17950	0.3
265.19595	0.6
267.21106	0.8
269.18854	0.4
269.22601	0.5
271.20584	0.9
273.22000	0.6
275.11160	2.4
279.10699	4.7
279.20956	0.6
281.22717	0.4
283.20328	0.3
285.22098	0.4
287.23749	0.4
289.21927	0.4
293.12271	3.4
293.22617	0.8
297.22095	0.8
299.23669	0.8
309.25784	0.5
311.23621	0.6
313.25354	0.8
319.24149	0.3
321.25705	0.4
327.26865	0.5
331.26230	0.6
333.25742	0.7
339.26883	0.9
349.25052	0.3
349.28979	0.8
351.26575	0.7
357.27945	0.7
361.28818	0.4
367.29797	0.6
371.13416	0.5
379.29855	4.7
385.31168	0.6
397.30951	6.4
401.31860	0.4
407.32980	2.1
419.33044	6.3
425.34058	6.2
427.35385	0.3
437.34085	20.1
439.35864	0.4
453.33551	0.4
455.35135	46.7
456.35516	1.9
473.36179	63.4
474.36685	2.0
491.37247	2.0
531.36206	0.4
547.37683	0.5
565.38708	0.8
569.38287	0.4
583.39520	1.2
587.39673	1.6
601.40881	3.7
605.40381	24.4
606.40839	1.0
619.41925	38.0
620.42078	1.8
623.41681	0.6
637.42780	1.6
663.40973	0.3
733.44922	2.1
751.46075	26.0
752.45844	1.1
753.47406	0.3
765.47443	0.6
772.56244	0.3
796.98822	0.3
879.50244	0.8
897.51886	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	915.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83533	0.3
65.03922	0.7
67.05495	5.3
68.99811	0.3
69.03416	13.0
69.07047	3.7
70.32488	1.1
71.01340	2.3
71.04978	63.7
72.05286	0.4
73.02901	8.6
73.03308	0.5
75.04457	4.8
79.05470	3.8
81.03398	1.6
81.07043	8.8
83.04962	30.4
83.08607	1.7
84.05309	0.4
85.02887	100.0
85.06524	1.4
86.03224	0.4
87.04449	2.8
91.05459	3.3
93.07030	8.4
95.04948	5.2
95.08590	12.3
97.02873	16.0
97.06509	2.7
97.10147	1.7
98.20749	0.4
99.04431	6.3
99.08073	1.1
101.05966	1.4
103.03946	1.1
105.07004	5.8
107.04948	0.5
107.08569	13.4
109.02871	1.5
109.06512	1.1
109.09386	0.7
109.10135	13.2
111.04418	21.9
111.08093	0.6
111.11682	0.8
113.02386	0.9
113.05998	2.1
115.03911	11.0
115.94961	0.3
116.11069	0.3
117.05454	2.7
117.07021	0.9
119.04939	0.3
119.08560	10.5
121.06513	1.6
121.10117	11.4
123.04417	0.9
123.08071	1.1
123.11677	7.5
125.05958	0.7
125.09602	4.0
127.03909	3.3
127.07638	0.5
127.11160	2.9
129.05455	28.6
129.07031	1.0
131.08556	3.5
133.04941	1.4
133.06487	0.5
133.10100	10.1
135.04399	0.8
135.08047	1.5
135.11667	10.4
137.06006	1.0
137.09625	1.1
137.13222	3.3
139.03886	2.8
139.07520	0.5
139.11162	1.1
141.05469	0.7
141.09128	0.3
141.12733	0.8
142.07767	0.4
143.03395	0.5
143.08563	1.6
143.10649	5.9
143.11691	0.4
145.04907	2.0
145.10104	5.6
147.04491	0.6
147.06494	8.2
147.07852	0.6
147.08080	0.7
147.11659	7.0
148.06871	0.3
148.88901	0.3
149.05957	0.9
149.09619	1.3
149.13226	4.8
151.03847	0.4
151.07501	0.7
151.11118	0.5
151.14798	0.6
153.05438	3.0
153.12733	1.0
155.08499	0.5
157.04964	2.9
157.10091	2.7
159.06557	0.6
159.08073	0.9
159.11659	5.5
161.09628	1.2
161.13223	5.4
163.06000	1.2
163.07422	0.5
163.11194	0.6
163.14781	2.7
165.05461	0.7
165.07697	0.4
165.09128	0.9
165.12766	0.4
167.07047	0.3
169.04947	0.5
169.10126	0.9
171.06526	2.7
171.11664	3.0
172.12263	0.3
173.09637	0.7
173.13242	4.5
175.11189	1.1
175.14769	2.8
177.05531	0.4
177.09114	0.8
177.12700	0.7
177.16371	1.7
179.07024	0.8
179.10681	0.5
179.14331	0.8
183.06511	1.1
183.11711	1.2
185.09666	0.5
185.13182	2.7
187.11139	0.8
187.14783	4.1
189.12743	0.7
189.16368	3.0
191.10599	0.7
191.14302	0.6
191.17923	3.5
193.08669	0.5
195.06543	0.8
195.11647	0.5
197.07996	0.4
197.13269	1.6
198.14011	0.3
199.06100	0.4
199.14804	2.1
201.07593	0.8
201.12814	0.6
201.16360	3.8
203.14172	0.7
203.17967	3.5
205.15836	0.5
205.19597	0.4
207.06525	0.6
207.17551	0.4
209.54599	0.3
211.14694	1.4
213.07614	1.0
213.16301	1.7
215.14363	0.8
215.17924	1.7
217.15834	0.7
217.19527	1.3
219.13788	0.7
219.17435	0.3
221.15445	0.5
223.14828	0.6
225.07498	6.3
225.16385	1.1
227.14316	0.5
227.17932	1.0
229.15901	0.9
229.19449	0.7
231.13724	0.4
231.17603	0.7
233.15324	0.9
239.09077	9.0
239.18022	0.5
241.15630	0.4
241.19527	1.0
243.08612	4.9
245.15329	0.9
245.19084	0.4
247.16859	1.7
253.19366	0.6
255.21115	1.3
257.10135	3.7
259.20618	0.8
261.09601	3.3
261.18387	0.3
267.21173	0.6
271.20459	0.4
271.80267	0.3
273.18539	0.5
273.22177	0.6
275.11276	2.7
275.19995	0.5
279.10699	4.2
279.21115	0.4
281.22311	0.4
283.20599	0.4
285.22116	0.8
289.21783	0.6
293.12134	1.9
297.22211	0.7
299.19995	0.5
299.23648	0.4
301.21643	0.8
303.23065	0.4
311.23865	0.6
313.21359	0.5
315.23175	2.2
317.24866	0.3
319.22977	0.4
321.25815	0.4
369.28012	0.7
387.28848	0.4
395.33087	2.1
396.33716	0.4
407.32986	0.5
409.34711	1.3
419.33005	2.3
425.34174	0.7
427.35855	0.9
437.34079	12.1
445.37244	0.3
453.33670	0.7
455.35132	36.4
456.35342	1.7
471.34848	0.8
473.36182	70.3
474.36734	2.6
489.35654	0.6
491.37262	0.5
547.37634	0.7
565.39343	0.5
583.39075	0.5
587.39087	1.7
605.40369	28.3
606.40845	1.0
715.44598	0.3
733.45026	4.6
751.46100	65.5
752.46552	4.2
843.48883	0.5
940.90155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.1
67.05495	8.4
69.03410	17.4
69.07057	4.2
70.06594	1.0
70.20109	0.6
71.01337	1.9
71.04977	56.6
72.05314	2.9
73.02900	9.3
73.55672	0.7
75.04456	4.2
79.05475	6.0
81.03400	5.8
81.07040	12.6
83.04961	24.7
83.08601	2.9
85.02887	100.0
85.06535	0.7
86.03204	5.7
87.03316	1.1
87.04468	3.5
91.03930	1.0
91.05460	6.6
93.07027	8.7
95.04960	6.2
95.08583	14.6
96.08919	1.3
97.02872	17.7
97.06525	3.3
97.10167	2.1
98.03198	1.0
99.04434	6.9
99.08059	1.3
101.05984	0.8
103.03937	1.1
103.05447	1.2
105.07010	7.7
106.07308	0.8
107.04932	1.9
107.08576	12.7
108.08921	2.1
109.02856	3.4
109.06502	4.1
109.10133	11.9
110.10479	1.6
111.04424	13.9
111.08076	0.9
112.04730	0.8
113.05981	3.0
114.09167	1.2
115.03901	8.1
115.05477	0.9
117.05477	2.1
117.07013	1.9
117.26096	0.7
118.09219	0.7
119.04938	2.8
119.08556	11.9
120.08087	0.8
120.08871	0.9
121.06453	2.7
121.10126	12.1
122.10438	1.8
123.04366	1.4
123.08042	49.5
123.11664	5.6
124.07506	1.1
125.05958	1.6
125.09615	3.0
127.03889	6.0
129.05457	25.5
129.06921	1.4
130.05818	1.6
131.08524	4.5
133.04951	2.3
133.06435	0.9
133.10110	8.0
135.04414	1.2
135.08032	2.3
135.11681	9.3
136.12030	1.4
137.05972	3.2
137.09569	6.5
137.13237	3.0
139.03918	1.5
139.11166	0.9
141.05409	1.0
143.08531	1.0
143.10634	2.1
145.02815	1.9
145.04919	4.0
145.10098	5.3
146.10402	0.8
147.04477	4.0
147.06490	9.8
147.08046	1.2
147.11681	4.5
149.05974	1.8
149.09593	2.7
149.13211	4.3
151.03928	1.0
151.11108	1.2
153.05518	1.0
153.12746	1.0
157.04922	1.2
157.10124	2.6
159.08148	1.0
159.11688	5.0
160.09674	1.0
160.12024	1.0
161.09564	1.8
161.13232	4.2
163.03868	1.8
163.06047	1.8
163.11163	2.3
163.14801	2.2
165.09122	2.1
165.12723	1.0
167.07053	1.2
169.10138	0.9
171.06519	2.2
171.11679	2.1
173.09599	1.3
173.13185	3.9
175.07570	0.8
175.11154	0.9
175.14813	3.0
177.05440	4.5
177.12726	1.5
177.16333	2.0
179.10649	7.7
179.14343	0.9
183.11621	1.4
185.13278	2.0
187.05920	0.8
187.11086	0.9
187.14777	4.8
189.12695	1.2
189.16342	3.2
191.10562	0.9
191.17909	7.7
193.12219	1.5
197.13199	0.9
199.14781	1.2
201.16373	3.5
203.17940	2.0
205.06847	0.9
207.06624	1.1
207.13835	1.6
213.16345	1.7
215.14291	0.9
215.17944	1.5
217.19566	1.4
225.07584	4.2
229.15901	2.0
231.20917	1.0
239.09068	4.3
239.11475	0.8
239.18025	1.1
243.08601	2.5
247.16800	1.5
257.10132	2.0
257.22556	3.8
261.09763	2.1
265.09003	0.9
267.15701	1.1
271.24109	1.2
273.18427	1.0
275.11328	1.5
279.10846	4.0
293.12378	2.1
295.24084	1.5
299.23114	0.8
301.16479	0.9
313.25220	1.4
351.26855	1.0
367.29926	1.3
369.27823	1.0
381.93033	0.9
385.30765	1.6
409.83453	0.8
410.91541	0.8
419.33167	1.1
420.50638	0.9
437.34073	18.3
438.34192	2.5
439.35098	2.8
453.33456	1.2
455.35104	35.9
456.35422	5.4
457.35895	7.1
471.34515	2.4
473.36182	41.6
474.36603	19.4
475.36838	16.2
489.35416	4.2
491.36969	1.5
525.83875	0.8
587.39313	5.5
591.32886	1.2
605.40369	11.6
606.24207	2.4
606.40784	1.7
607.41223	1.6
693.28772	1.2
729.30225	1.2
733.44965	24.0
734.45148	1.6
735.46313	1.4
751.46014	34.1
752.46661	1.6
753.45789	3.1
769.45721	1.8
879.50879	9.6
897.49646	1.9
915.48907	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	914.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.4
67.05489	11.3
69.03414	1.8
69.07057	6.3
70.17612	0.9
70.18030	1.1
71.01373	0.4
71.04984	1.1
71.08619	17.5
73.02913	1.3
74.14860	0.3
79.05479	5.7
81.03403	53.2
81.07038	14.2
83.04967	3.1
83.08603	17.3
85.02885	5.1
85.06527	0.9
85.10167	10.9
85.46021	0.3
89.06020	1.5
91.03941	4.0
91.05463	8.9
93.07027	5.9
93.26328	0.3
95.04951	17.6
95.08591	14.3
97.02878	4.1
97.06504	0.8
97.10155	5.3
99.04419	0.6
99.08071	0.6
99.11744	0.6
103.03904	0.4
103.07535	0.8
105.07006	6.7
107.04948	3.7
107.08594	2.4
109.02852	0.6
109.06489	1.6
109.10137	7.3
111.04442	1.4
111.08068	4.8
111.11695	0.6
115.05447	1.0
117.06961	0.9
117.09064	0.5
119.04891	0.5
119.08562	8.4
120.40046	0.3
121.06492	1.9
121.10132	4.3
123.04435	1.7
123.08044	1.2
123.11652	2.7
125.09606	0.8
125.13200	0.6
127.03922	1.7
128.06197	0.4
129.06987	6.2
131.08551	6.1
133.06487	2.4
133.10132	2.9
135.11681	0.7
136.71619	0.3
137.05917	0.7
137.09630	1.1
137.13248	1.1
142.07756	1.5
145.04936	1.6
145.10104	1.1
147.04460	0.4
147.08022	2.1
147.11642	4.7
149.09581	3.9
151.14796	0.7
157.10097	6.5
161.06087	0.5
161.13144	0.4
163.05983	3.2
163.11180	1.4
165.12740	1.2
165.16434	0.5
175.11153	7.0
187.11041	0.3
193.12210	22.1
203.17915	0.4
205.12183	0.6
211.13281	1.6
221.22632	0.6
231.13768	0.5
235.13225	1.3
239.23621	1.8
249.14903	1.6
257.24747	2.3
259.13254	1.6
260.80414	0.3
264.79175	0.3
267.15863	100.0
268.16348	1.8
273.14859	0.7
298.27191	0.5
299.18597	0.5
301.14206	1.9
309.16867	2.7
313.27307	95.3
314.27744	2.1
319.15390	0.7
331.28235	0.4
333.16818	0.5
375.17999	0.5
409.07336	0.4
459.44992	0.3
505.38797	80.9
506.39114	3.3
523.39661	3.1
544.83777	0.4
547.32233	0.6
547.39886	6.8
555.40326	0.5
565.40778	0.9
589.40857	1.2
601.40826	3.3
613.40710	1.6
631.42175	3.3
649.43048	1.5
830.44452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.3
67.05495	11.6
69.03419	13.4
69.07059	12.5
69.51147	1.7
69.51575	2.9
71.01340	2.1
71.04981	65.1
72.05306	1.2
73.02905	14.0
75.04464	4.9
79.05480	7.6
81.03416	3.5
81.03837	0.6
81.07045	23.3
83.04966	24.1
83.08611	3.2
83.92137	0.5
83.97137	0.5
85.02892	100.0
85.06539	1.3
87.04463	3.3
91.05464	9.7
93.06419	0.7
93.07027	17.9
95.04961	6.0
95.08595	19.3
97.02873	13.2
97.06522	3.4
97.10137	3.2
98.21368	1.0
99.04445	5.3
99.08079	5.2
101.06038	0.5
103.03936	1.2
103.05435	0.6
105.07012	19.9
107.04933	1.2
107.08578	24.7
109.02864	0.8
109.06505	3.9
109.10138	29.8
110.10464	0.9
111.04425	21.3
111.08081	3.9
111.11713	0.6
113.05997	1.4
113.09665	0.6
115.03912	12.4
115.05390	0.7
117.05449	2.0
117.07009	3.5
119.08563	18.6
121.06515	2.7
121.10124	17.7
123.04449	0.9
123.08047	2.4
123.11687	14.7
125.05972	0.8
125.09621	8.4
127.03880	3.4
127.11206	1.5
128.06230	0.8
129.05458	26.2
129.06879	2.5
131.07640	0.8
131.08553	12.1
133.04950	2.1
133.06450	1.4
133.10110	18.0
134.10399	0.6
135.04366	0.6
135.08041	2.1
135.11665	9.0
137.06024	0.9
137.09619	1.9
137.13237	2.2
139.03859	1.6
139.07504	0.8
139.11160	0.9
141.05473	0.7
141.06931	0.7
142.07736	0.7
143.08546	6.2
143.10651	5.3
144.09253	0.6
145.04929	1.2
145.10104	16.5
147.04327	0.8
147.06488	8.3
147.08031	1.6
147.11668	12.8
149.05908	0.7
149.09604	3.4
149.13223	7.7
151.07512	1.0
151.11143	1.6
151.14687	0.6
153.05429	2.6
153.09096	0.9
155.08525	2.0
156.09258	0.9
156.12891	0.6
157.04921	1.3
157.10104	8.6
159.06512	1.0
159.08026	1.7
159.11682	13.3
160.70732	0.5
161.05949	0.5
161.09608	2.5
161.13242	13.6
163.05963	1.3
163.07512	1.6
163.11131	2.9
163.14810	2.7
165.05464	0.5
165.07689	0.6
165.09129	1.0
165.12747	0.9
167.08473	0.9
167.10634	1.2
169.10109	4.5
170.10907	0.6
171.06548	2.9
171.07855	0.7
171.11687	6.8
173.09586	1.5
173.13229	10.1
175.11110	1.8
175.14787	6.0
177.09090	1.4
177.12758	2.3
177.16389	3.6
179.10654	1.1
179.14197	0.8
181.10083	1.3
183.11661	3.6
185.09590	1.1
185.13232	5.6
187.11169	1.6
187.14775	8.6
189.09073	0.9
189.12672	1.8
189.16374	5.3
191.10652	2.0
191.14299	1.3
191.17894	2.1
193.12204	1.5
193.15764	0.8
195.11700	2.3
195.13641	0.6
197.13200	4.0
199.11142	1.4
199.14810	6.0
201.07475	0.8
201.12735	2.5
201.16354	7.3
203.10617	0.7
203.14297	1.9
203.17888	2.7
205.12149	0.6
205.15857	2.9
207.06554	0.6
207.11865	0.6
207.13721	0.7
207.17421	1.8
209.13194	2.3
211.11122	0.6
211.14798	3.9
213.07430	0.6
213.12714	1.0
213.16328	3.6
215.14261	1.9
215.18053	2.4
217.12276	0.9
217.15773	1.7
217.19362	0.6
219.13728	1.0
219.17363	1.0
221.13205	1.2
221.15286	0.5
223.14775	1.9
225.07581	6.1
225.12724	0.7
225.16405	2.7
227.14227	1.2
227.17953	2.7
229.15775	1.9
229.19402	0.6
231.13693	1.5
231.17377	1.4
233.15303	1.2
233.18933	0.6
235.14769	0.6
237.16295	1.9
239.09032	2.7
239.17877	2.0
241.15849	0.9
241.19527	3.7
243.08607	4.6
243.17314	0.9
243.21042	0.5
245.15331	2.0
245.19305	0.6
247.16917	3.8
248.12991	0.5
249.16164	0.7
251.17891	1.8
252.18539	0.6
253.19514	3.6
255.17363	1.1
255.20946	1.3
257.10120	1.3
257.15173	0.7
257.19189	0.9
259.20468	1.6
261.09637	2.0
265.19363	1.8
267.15799	1.5
267.20837	0.8
269.18848	1.0
271.16864	1.2
271.20398	1.4
273.18555	3.6
275.11105	1.8
277.19479	0.8
279.10730	6.1
279.20889	1.5
281.19394	0.5
281.22540	2.5
283.20547	1.0
283.24094	1.5
285.18381	0.9
287.20251	0.5
291.20874	1.0
293.12320	2.7
293.22482	2.6
295.20535	0.7
297.22061	1.7
299.20175	0.8
299.23557	2.5
301.21539	1.2
301.33936	0.5
307.23956	0.7
309.21918	2.2
309.25027	0.6
311.23618	4.3
313.21539	1.5
313.25125	1.1
315.23062	0.8
325.21582	0.5
327.23178	2.5
329.24551	2.0
337.25183	0.5
339.26678	0.7
341.24692	0.6
353.24493	1.1
355.22229	0.8
355.26163	1.0
367.26074	2.4
377.28229	2.3
379.26053	1.0
385.27127	1.9
389.26294	0.6
393.31372	0.7
395.29327	4.2
397.27295	1.0
403.28061	1.7
405.31479	2.3
407.27667	1.9
407.32828	7.2
408.33072	0.8
417.31619	3.4
423.32462	5.6
424.32843	0.6
425.28601	0.7
425.34082	12.0
433.30243	0.8
435.32526	17.0
436.32590	0.9
437.34042	1.5
441.33359	2.2
451.31656	0.8
453.33578	37.8
454.33710	1.6
455.34839	1.7
469.32678	1.7
471.34634	40.6
472.34726	2.1
473.36465	2.4
487.33731	1.5
489.35727	25.1
490.35703	1.0
495.34604	0.9
539.33575	3.7
545.35559	0.8
547.31921	0.6
549.35809	0.7
557.34332	1.3
563.37054	3.4
571.35413	1.7
581.38397	2.7
585.37579	1.0
599.39386	3.2
603.30023	0.6
603.38708	6.4
617.40472	5.1
621.39807	13.2
635.41400	6.4
749.44684	6.3
751.45514	0.7
767.45642	7.0
895.48779	2.2
913.49683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.2
67.05492	17.6
69.03075	1.3
69.03420	14.4
69.07054	14.6
70.06566	0.7
71.01342	2.3
71.04980	62.3
73.02901	12.7
75.04488	4.2
77.03924	0.9
79.05476	11.8
81.03390	3.7
81.07040	40.3
82.07354	0.8
83.04533	0.5
83.04967	20.7
83.08595	5.2
85.02889	100.0
85.06525	1.4
86.03229	1.7
87.04452	2.9
91.05460	14.5
91.06026	1.3
93.07026	26.9
95.04951	7.0
95.08590	35.5
96.08945	0.9
97.02874	17.2
97.06511	2.4
97.10162	2.5
98.03197	0.7
99.04450	7.1
101.05972	1.2
103.03867	0.9
105.07014	31.1
106.07391	0.9
107.04916	2.2
107.08572	32.1
109.02848	2.0
109.05891	0.7
109.06503	4.3
109.10139	43.1
110.10493	1.1
111.04425	28.8
111.08078	2.1
111.11694	1.3
113.05965	1.0
114.09126	1.0
115.03918	9.3
117.03374	1.6
117.05474	2.7
117.06985	3.7
119.04913	1.1
119.08557	31.5
121.02877	0.7
121.06493	4.0
121.10123	29.1
123.04365	1.3
123.08069	5.0
123.11687	45.1
124.12082	0.8
125.05958	1.9
125.09608	1.9
127.03915	3.5
127.07578	0.7
128.06122	1.1
129.05458	26.3
129.06984	1.9
130.08589	3.4
131.04872	1.1
131.08528	15.7
133.04947	2.6
133.06480	1.4
133.10101	27.5
134.10406	0.9
135.08018	4.4
135.11668	14.1
137.05914	4.9
137.09581	2.7
137.13243	3.2
138.05484	0.9
139.03873	1.9
139.07529	1.0
139.11179	0.7
140.07037	0.8
142.07748	1.0
143.08530	8.0
144.09317	1.1
145.02789	3.7
145.04930	2.6
145.06441	1.3
145.10098	24.6
146.03181	0.8
147.04445	2.3
147.06514	8.5
147.07971	1.7
147.11661	21.6
149.05981	1.5
149.09598	3.9
149.13229	15.3
151.03922	1.1
151.07509	3.1
151.11156	2.1
151.14732	0.7
153.09140	1.5
155.08553	2.6
156.09384	1.5
157.10098	10.9
159.06746	0.7
159.08049	2.0
159.11671	22.5
161.05957	1.1
161.09592	3.9
161.13232	23.6
162.13547	0.8
163.03908	1.2
163.06140	1.6
163.07556	4.9
163.11147	2.5
163.14801	4.3
165.09097	3.2
165.12718	1.1
167.07060	1.6
167.08511	1.0
167.10764	1.0
169.10112	3.9
170.10809	0.8
171.06544	2.3
171.11665	9.9
173.08154	1.1
173.09605	3.4
173.13229	16.6
174.13535	1.0
175.07527	1.0
175.11107	2.0
175.14792	9.0
177.05453	7.2
177.09109	3.0
177.12770	2.7
177.16367	4.3
178.05779	1.6
179.10660	1.1
181.04945	1.3
181.10118	1.1
183.11630	4.0
185.09511	0.9
185.13219	9.2
187.11192	2.6
187.14786	15.3
189.09100	2.0
189.12724	1.6
189.16357	8.0
191.10605	4.5
191.14345	1.5
191.17949	4.7
193.12209	1.0
194.10890	0.7
195.11682	1.7
195.13583	0.7
197.13142	4.2
199.11134	1.4
199.14793	5.3
201.12770	2.4
201.16364	11.1
201.18105	0.9
203.10582	0.7
203.14337	3.0
203.17897	4.6
205.12253	2.1
205.15849	5.7
207.06543	1.6
207.17334	3.6
209.13254	2.2
211.14853	4.2
213.12714	1.6
213.16341	7.1
215.10727	1.7
215.14351	1.9
215.17946	4.3
217.12270	1.7
217.15848	1.5
217.19412	1.3
219.13840	2.6
219.17485	1.9
221.15396	1.8
223.14789	1.3
225.07529	5.2
225.16360	2.9
227.14288	1.8
227.17906	2.9
229.12196	1.8
229.15878	1.4
229.19373	1.2
231.13737	3.5
231.17500	1.4
233.15361	2.5
235.14717	1.1
235.16911	1.5
237.16412	2.0
239.09123	0.9
239.14378	0.8
239.17886	2.1
241.19586	2.3
243.08655	3.0
243.17331	0.9
243.21294	0.9
245.15363	4.3
247.16888	14.1
251.17903	1.6
253.19463	3.4
255.21048	0.8
257.15271	1.6
259.16995	2.1
261.09753	1.7
265.19479	0.9
267.21140	1.7
271.16968	1.9
271.20520	0.9
273.18527	5.2
279.10699	2.1
281.19107	0.9
281.22519	0.9
283.20453	1.4
285.18454	1.4
285.22232	0.9
293.22488	1.3
295.24146	1.0
297.18445	0.9
299.20105	1.5
301.21579	2.9
307.24124	0.8
309.22147	1.1
311.20459	1.8
311.23572	1.2
313.21622	5.0
315.23157	1.6
321.25748	1.0
325.25229	1.2
327.23248	2.7
329.21027	1.4
331.22940	1.1
335.27417	1.3
339.23163	1.5
339.26752	1.1
341.24814	1.7
349.25119	0.8
353.24707	3.2
355.26328	1.7
367.26288	6.5
371.25748	2.6
375.30698	1.2
377.28207	1.5
379.26483	1.5
381.27530	0.9
385.27408	4.2
389.26767	1.6
393.31656	1.8
395.29306	13.1
403.28256	1.1
405.31451	1.4
407.27893	9.7
407.33005	2.0
411.32544	4.3
417.31497	1.9
423.32465	9.1
425.34094	2.7
435.32538	22.0
436.32724	1.2
437.33978	1.7
453.33582	15.4
455.34976	3.7
469.33081	2.0
471.34641	61.7
472.34891	2.3
473.36057	1.2
483.34586	1.5
489.34415	0.9
499.30072	1.0
505.32999	0.8
509.07419	0.8
513.34717	1.0
523.34210	1.6
525.36115	0.9
531.34552	1.1
545.36176	3.9
549.35736	1.9
563.37195	13.5
567.37067	1.3
581.38318	8.8
599.39728	0.9
603.38806	4.3
604.21436	0.9
749.44263	4.6
913.49298	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	913.5133
Annotation	Akeboside Stf
Peak:m/z	Relative Intensity
65.03944	0.5
66.25500	0.3
67.05490	8.6
68.34590	0.3
69.03417	15.0
69.07057	9.3
71.01350	2.0
71.04979	54.5
72.05320	0.4
73.02902	7.8
74.09675	0.4
75.04462	4.5
77.03887	0.3
79.05474	4.8
80.06280	0.3
81.03410	3.4
81.07040	13.0
82.07405	0.4
83.04967	13.9
83.08603	2.2
85.02888	100.0
85.06535	0.8
86.03212	0.6
86.06054	0.9
87.04456	3.1
91.03926	0.3
91.05465	5.4
93.07030	12.4
95.04939	2.8
95.08590	17.6
97.02875	19.9
97.06536	2.0
97.10134	1.8
99.04442	3.8
99.08083	1.4
101.05992	1.0
103.03925	0.8
105.07008	9.3
107.04930	0.7
107.08577	17.1
109.02858	2.0
109.06484	2.4
109.10137	22.1
111.04422	9.2
111.08072	1.1
111.11714	0.7
113.02361	0.6
113.05970	0.8
113.09604	0.3
113.49826	0.3
115.03909	8.4
117.05496	0.8
117.06987	1.8
119.04871	0.3
119.08561	12.0
121.06464	1.8
121.10124	14.6
123.04391	0.9
123.08053	2.4
123.11680	11.6
123.12589	0.4
125.05961	0.6
125.09611	3.8
127.03896	5.9
127.07598	0.3
127.11161	3.5
129.05457	27.7
129.07013	0.8
130.05824	0.6
131.08545	4.8
133.04953	3.5
133.06413	0.4
133.10101	11.2
135.04367	0.6
135.08063	2.0
135.11665	14.3
137.05968	0.6
137.09599	5.8
137.13229	4.5
139.03870	1.8
139.11131	0.9
141.05482	0.4
141.09064	0.8
141.37120	0.4
142.07813	0.5
143.08553	2.4
143.10666	0.8
144.09279	0.5
145.04933	5.3
145.10095	7.3
147.04529	0.7
147.06490	12.2
147.07971	0.9
147.11652	8.2
149.04465	0.6
149.05963	0.5
149.09563	1.9
149.13222	5.5
151.07564	0.8
151.11172	1.0
151.14798	0.6
153.05466	0.9
153.09134	0.7
153.12733	0.9
155.08578	0.9
155.10625	0.7
156.09393	0.5
157.04930	1.0
157.10104	3.8
158.10915	0.4
159.08031	0.9
159.11670	7.4
161.09608	2.2
161.13232	5.5
163.06012	0.9
163.07504	1.2
163.11194	0.7
163.14804	3.7
165.05577	0.4
165.07578	0.5
165.09088	0.7
165.12836	0.5
165.16312	0.4
169.04947	0.9
169.10080	1.7
170.72110	0.3
171.06526	1.9
171.07849	0.4
171.11655	3.3
173.09552	0.5
173.13228	5.1
175.11208	1.4
175.14772	4.6
177.05464	0.4
177.09128	0.7
177.12733	0.7
177.16318	1.8
179.07027	0.4
179.10670	0.9
179.14278	0.8
181.04935	0.7
183.11571	1.7
185.13232	3.2
187.05954	0.3
187.11250	0.8
187.14790	6.0
189.09187	0.3
189.12773	0.8
189.16342	4.2
191.10658	1.0
191.14333	0.8
191.17938	5.0
193.10233	0.3
193.12167	0.4
193.19551	0.4
195.06541	0.5
195.11801	0.7
195.13885	0.7
197.13252	1.6
199.05891	0.3
199.14758	2.8
201.12697	0.7
201.16354	3.8
203.14262	1.0
203.17906	3.9
205.12231	0.4
205.15874	0.8
205.19516	0.7
207.06613	0.3
207.13712	0.4
209.13300	0.6
211.13145	0.3
211.14738	1.6
213.12811	0.5
213.16350	1.9
215.14317	1.1
215.17923	1.7
217.07135	0.4
217.12328	0.6
217.15981	0.9
217.19511	1.3
219.13858	0.5
221.15417	0.6
223.06004	0.7
223.14799	0.7
225.07541	4.7
225.16377	1.1
227.14290	0.8
227.17906	1.6
229.15932	1.1
229.19519	1.0
231.13698	0.7
233.15373	1.2
233.19011	0.5
235.17001	0.6
237.07436	0.4
237.16321	0.5
239.09090	0.9
239.17986	0.7
241.07100	0.6
241.15930	0.3
241.19466	1.3
243.08635	4.0
243.11015	0.6
243.17389	0.8
243.21028	2.1
245.15366	1.0
247.16905	2.2
251.17770	0.4
253.19547	1.2
255.08632	0.8
255.21025	1.5
257.15323	0.3
259.08087	0.9
259.16879	0.7
261.09610	1.7
261.22153	1.0
265.19650	0.5
267.21057	1.2
269.18948	0.4
269.22626	0.6
271.16989	0.4
271.20572	0.3
273.09738	0.9
273.18607	0.5
273.21994	0.4
275.20227	0.7
279.10709	3.3
279.21088	0.4
281.22562	0.6
285.18826	0.6
285.22107	2.1
287.20007	0.7
293.22571	0.7
295.20789	0.5
295.24292	1.0
297.22211	0.6
301.21582	1.4
303.23154	3.3
303.44235	0.3
309.11676	0.5
309.22488	0.4
309.25720	0.6
311.23682	1.0
313.21722	0.7
313.25256	0.9
315.23077	2.1
323.27356	0.6
327.23203	0.4
329.24823	0.4
331.26428	0.4
333.25601	0.5
339.26990	0.6
341.28497	0.4
349.28922	0.5
351.26797	0.8
355.26218	0.4
357.24200	1.2
367.29929	0.4
369.27875	3.9
373.27322	0.7
377.32239	0.4
381.27960	0.5
383.29538	0.5
387.28958	1.7
389.31540	0.3
391.28314	1.1
391.33282	0.3
395.33066	1.6
399.28906	0.6
401.31882	0.5
407.32803	1.5
409.34750	1.7
417.30408	0.5
419.33072	4.7
425.33951	2.9
435.32550	0.7
437.34082	15.8
438.34460	0.6
439.35748	1.0
443.35205	2.4
453.33444	2.6
455.35135	39.3
456.35330	1.9
471.34711	2.6
473.36185	66.4
474.36630	3.3
489.35651	2.2
547.38086	0.3
574.03821	0.4
579.13043	0.4
587.39124	1.3
603.38776	0.7
605.40405	2.9
621.39716	0.8
676.93640	0.4
687.45764	0.3
746.23126	0.4
749.44592	4.6
751.45367	0.9
767.45551	4.8
768.46149	0.4
895.34515	0.4
895.50452	5.1
913.51837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5139
Annotation	Latifoloside B
Peak:m/z	Relative Intensity
65.03927	0.6
67.05163	0.6
67.05491	4.6
69.03416	12.0
69.07056	3.0
71.01351	2.3
71.04980	66.1
72.05315	0.6
73.02901	8.2
75.04465	4.9
75.08995	0.3
79.05476	2.9
81.03410	2.0
81.07040	7.7
83.04964	35.8
83.08603	1.3
84.05294	0.3
85.02889	100.0
85.06525	0.8
86.03215	0.9
87.04447	3.0
88.61665	0.3
89.49010	0.3
91.05460	3.4
93.07029	6.6
94.61764	0.3
95.04954	5.1
95.05502	0.4
95.07983	0.7
95.08591	13.2
96.08921	0.3
97.02875	12.6
97.06505	2.4
97.10166	0.8
98.21484	0.5
99.04433	5.9
99.05035	0.5
99.08092	0.4
101.06023	1.3
103.03926	0.9
103.05456	0.6
105.07014	6.4
107.04959	0.8
107.08575	9.6
109.02875	1.3
109.06499	2.7
109.10136	8.0
109.10851	0.6
111.04422	15.9
113.02340	0.3
113.05973	3.3
113.09619	1.1
114.09188	0.4
115.03910	8.3
115.04678	0.6
117.05467	3.0
117.06075	0.3
117.07022	1.2
119.04913	0.4
119.08559	7.7
121.06483	2.3
121.10121	7.5
121.10945	0.5
122.07302	0.9
123.04446	1.2
123.08050	8.1
123.11684	4.5
125.05977	1.1
125.09595	2.1
127.03912	2.8
127.11172	0.5
128.06219	0.7
129.05455	28.5
129.07042	0.9
130.05821	0.5
130.08659	1.1
131.08539	3.2
133.04944	1.5
133.06505	0.8
133.10107	6.8
135.04414	0.9
135.08051	1.4
135.11679	6.7
135.12721	0.4
137.06026	1.6
137.09592	36.6
137.13171	2.1
138.09959	0.8
139.03854	2.1
139.11200	0.8
141.05449	0.7
141.09093	2.6
142.07753	0.5
143.03378	0.4
143.08540	2.4
143.10629	0.7
145.04907	1.6
145.06517	0.4
145.10098	5.0
147.04428	1.0
147.06499	10.2
147.07982	0.9
147.11652	4.4
149.06000	0.9
149.09637	1.0
149.13231	2.5
151.07578	1.1
151.11223	1.3
153.05447	2.5
153.09116	0.5
155.07471	0.3
155.08585	1.3
156.09364	0.5
157.04944	2.2
157.10107	2.4
159.06628	0.6
159.08057	1.2
159.10229	0.8
159.11713	4.3
159.12724	0.3
161.05966	0.5
161.09547	1.7
161.13255	3.2
163.03983	0.3
163.06023	1.1
163.07378	0.3
163.11214	1.3
163.14761	2.0
165.05519	0.7
165.07640	0.4
165.09094	0.6
165.12819	0.4
167.07053	0.5
167.08559	0.3
167.51817	0.3
169.05025	0.9
169.10172	1.3
171.06526	2.6
171.07846	0.5
171.11626	3.0
173.09622	0.9
173.13228	2.6
175.05942	0.4
175.11153	1.4
175.14771	2.5
177.05504	1.1
177.09120	0.6
177.12785	1.0
177.16440	1.0
179.07123	0.8
179.10669	1.8
179.14325	0.6
181.05078	0.5
181.10149	0.7
183.06529	0.9
183.11597	1.5
184.27229	0.3
185.09668	0.7
185.13242	2.7
187.11241	1.2
187.14796	3.2
189.12788	1.2
189.16325	2.6
191.10541	0.3
191.14313	0.4
191.17935	2.5
193.08592	0.6
193.12311	0.7
195.06572	0.8
195.11752	0.9
197.13219	1.5
199.06035	0.6
199.14789	2.3
201.07617	1.3
201.12689	0.7
201.16364	2.7
203.14311	0.6
203.17877	1.6
207.06506	0.8
209.13307	1.0
211.14923	1.1
213.07545	0.5
213.12671	0.7
213.16470	1.0
215.10870	0.3
215.14401	1.1
215.17982	0.9
217.07114	0.4
217.10735	0.8
217.12453	0.5
217.19550	0.5
219.13818	0.5
221.08038	0.6
223.14893	0.9
223.54062	0.3
225.07526	5.1
225.12833	0.4
225.16451	0.7
227.14392	0.5
227.17964	0.8
229.15895	0.7
229.19458	0.7
229.93904	0.4
231.08678	0.5
231.13887	0.5
235.14864	0.5
237.16522	0.9
239.09109	5.6
239.17896	0.7
241.15952	0.4
241.19522	0.8
243.08592	3.9
243.13849	0.7
243.21025	2.9
245.15385	0.9
247.13187	0.4
247.16985	0.5
251.18088	0.7
253.15842	0.4
253.19434	0.4
255.21265	1.1
257.10138	2.4
261.09653	2.5
263.18335	0.4
267.21234	0.5
269.18991	0.5
275.11267	2.3
279.10754	4.4
279.21228	0.6
280.11450	0.3
281.22775	1.2
283.24084	1.6
293.12326	2.3
293.22565	2.9
295.24176	1.0
297.22171	0.5
309.21960	0.4
309.25363	0.4
311.23660	3.0
311.27057	0.4
312.24353	0.4
313.21930	0.4
313.25266	0.8
321.25815	0.8
323.23734	0.3
323.27435	0.4
329.24808	0.5
339.27011	0.9
349.25446	1.2
351.26804	1.2
357.24185	2.6
363.26965	0.6
365.28464	1.3
367.26062	0.7
381.27887	0.7
383.29364	2.2
393.31561	0.7
399.28870	0.4
401.30569	0.4
407.33041	0.7
411.32861	0.5
417.31442	1.0
419.33157	0.4
423.32648	0.6
425.34293	0.9
435.32477	6.6
436.33051	0.4
437.34344	2.2
441.33871	1.2
453.33588	20.9
454.33847	0.7
455.35046	2.9
471.34637	22.3
472.35187	1.2
473.36136	2.6
489.35693	20.6
490.36075	1.2
585.37616	0.7
603.38959	3.1
621.39954	4.7
622.40070	0.4
636.24884	0.4
731.43121	1.6
733.45160	0.6
749.44598	16.4
750.44647	1.5
767.45599	50.0
768.45953	3.7
772.32190	0.3
877.48981	0.6
895.50391	8.1
896.50806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5137
Annotation	Macranthoside A
Peak:m/z	Relative Intensity
65.03931	0.6
67.05495	8.6
69.03417	13.8
69.07063	5.7
71.01354	2.4
71.04980	64.7
73.02906	11.7
75.04469	3.5
77.03837	0.5
79.05476	5.5
81.03412	2.6
81.07043	14.8
82.82839	0.4
83.04493	0.9
83.04967	12.0
83.06062	0.6
83.08602	2.8
85.02890	100.0
85.06508	0.9
86.03212	0.9
87.04449	2.7
91.05454	5.7
93.07029	13.4
95.04952	3.2
95.07981	1.0
95.08588	18.3
97.02872	16.2
97.03516	0.5
97.06525	2.3
97.10167	1.4
99.04436	7.3
99.08076	1.2
103.03901	0.9
103.05378	0.5
105.07018	11.0
107.04939	0.5
107.08574	18.1
109.02861	1.3
109.06489	1.6
109.10136	27.0
110.07150	1.5
110.10470	0.7
111.04420	8.2
111.08050	1.2
111.11684	0.5
113.02300	0.6
113.06003	0.5
113.09684	0.5
115.03912	10.5
115.05387	0.4
117.05466	3.5
117.07002	2.2
119.08557	13.9
121.06499	2.1
121.10127	15.7
123.08035	1.8
123.11681	9.7
125.09607	4.3
127.03910	2.9
127.11178	7.9
128.06174	0.8
129.05458	24.4
129.06978	1.2
130.05795	0.7
131.08543	5.8
133.04918	1.3
133.10109	12.2
135.04330	0.8
135.08057	2.2
135.11673	15.4
137.05972	0.6
137.09572	1.0
137.13229	4.5
139.03851	2.7
139.11154	1.1
141.06923	0.8
142.07735	1.0
143.08542	4.0
143.10641	1.3
145.04927	3.7
145.06010	0.5
145.06482	0.6
145.10095	11.5
147.06479	7.6
147.07971	1.4
147.11649	8.5
149.09564	2.1
149.13228	6.2
151.11067	0.5
151.14807	0.7
153.05515	0.7
153.12740	0.6
155.08461	1.0
155.10622	1.0
156.09363	0.5
157.04929	1.3
157.10118	5.8
159.08018	0.9
159.11671	8.4
161.09602	2.5
161.13228	7.5
163.05981	2.0
163.07309	0.4
163.11124	1.3
163.14819	3.4
165.07698	0.6
165.09079	0.5
165.12711	0.8
167.08476	0.6
169.10086	1.8
171.06477	1.8
171.11650	4.7
173.09547	1.4
173.13229	6.3
175.11136	1.7
175.14809	3.9
177.05528	0.7
177.12717	0.8
177.16386	2.3
179.10489	0.5
179.14287	0.9
181.10023	0.7
183.11647	3.1
185.13213	5.2
187.05827	0.5
187.11043	1.3
187.14790	7.9
189.12662	0.9
189.16365	5.9
191.14201	1.5
191.17963	5.2
193.12224	0.5
195.06447	0.7
195.11609	0.6
196.12427	0.7
197.13271	3.2
198.14053	0.7
199.14754	4.1
201.12715	1.1
201.16356	5.1
203.14212	1.6
203.17894	5.0
207.13737	0.5
207.17398	0.7
209.13155	1.7
211.14792	2.8
213.16335	3.0
215.14209	2.1
215.17876	1.7
217.15810	1.3
217.19408	1.4
219.13715	0.6
223.14784	1.1
225.07529	4.1
225.16313	2.3
227.17912	2.8
229.15778	1.2
229.19470	1.3
229.50015	0.7
231.13622	0.6
231.17267	0.8
233.15237	1.3
233.18890	0.7
235.16786	0.6
237.16443	1.0
239.17921	1.0
241.19424	1.8
243.08577	4.1
243.17345	1.5
243.20996	2.7
245.18977	0.5
247.16856	2.1
251.17896	0.9
253.19380	2.7
255.17381	0.7
255.21034	2.1
259.20401	0.6
261.09717	2.8
261.22037	2.2
265.19357	1.0
267.17557	0.6
267.20908	2.3
269.19113	0.8
269.22488	1.2
271.20477	1.2
273.22186	0.7
275.19977	0.9
277.19479	0.7
279.10797	2.7
279.20865	1.0
281.18817	0.7
281.22449	0.9
283.20361	1.1
285.22025	3.6
293.22498	1.1
297.21982	1.4
299.23535	0.8
301.21451	1.7
303.23102	1.3
306.23105	0.5
311.23508	1.4
313.21359	0.6
315.23041	1.5
321.25613	1.0
333.25400	1.8
335.23593	0.5
337.24997	0.7
339.26495	0.6
341.24365	0.5
347.27066	0.8
349.28934	2.6
349.32217	0.5
351.26563	1.4
367.29782	0.9
369.27573	1.0
376.27264	0.7
377.31790	1.0
381.27667	0.5
387.28845	0.6
395.33038	2.3
401.31873	0.8
407.28363	0.5
407.33044	6.5
409.34311	1.5
419.33029	17.2
420.33017	1.3
425.34085	12.6
435.27124	1.0
437.34094	42.2
438.34171	1.7
443.35233	4.9
453.33099	1.0
455.35159	47.5
456.35587	2.2
456.43146	0.4
473.36194	43.8
474.36301	1.7
489.35376	0.6
530.01355	0.5
552.50397	0.6
569.37982	0.6
575.38690	0.8
581.32697	3.0
587.31036	0.6
587.39349	10.1
605.40424	18.7
606.40100	0.9
617.40057	0.8
648.18494	0.5
721.44409	1.6
733.45026	25.5
734.45081	1.3
749.42786	0.6
751.46094	25.2
752.45099	1.8
767.44269	0.5
880.32556	0.5
913.48425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5133
Annotation	Latifoloside B
Peak:m/z	Relative Intensity
65.03939	0.3
67.05489	4.5
67.47957	0.3
69.03416	10.2
69.06779	0.3
69.07056	3.2
71.01345	2.7
71.04977	63.0
71.08610	0.4
73.02903	8.2
75.04462	4.0
79.05470	2.9
81.03409	1.6
81.07037	5.2
83.04963	34.0
83.08588	1.3
84.05305	0.5
85.02886	100.0
85.06516	0.9
86.03253	0.7
87.04452	2.7
91.05442	3.4
93.07025	5.2
95.04950	5.0
95.07983	0.6
95.08587	12.0
97.02872	11.5
97.06493	2.5
97.10148	0.8
99.04425	5.9
99.08062	0.5
101.06012	0.8
103.03915	0.9
103.05487	0.3
105.07004	5.1
107.04952	0.5
107.08573	7.8
109.02833	0.7
109.06493	2.4
109.10134	6.6
111.04419	16.4
111.08046	0.5
113.02325	0.4
113.05987	3.0
113.09621	1.0
115.03906	8.8
117.05482	2.6
117.06997	1.2
119.08547	6.5
121.06479	2.3
121.10118	6.8
122.07269	1.0
123.04436	0.6
123.08044	8.0
123.11668	3.3
125.05963	0.7
125.09612	1.6
127.03906	2.7
129.05453	28.1
129.07024	1.0
131.08533	3.1
133.04948	1.1
133.06480	0.5
133.10097	5.8
135.04399	0.5
135.08028	1.2
135.11667	7.1
137.05988	1.2
137.09584	37.3
137.13173	2.4
138.09886	0.5
139.03893	2.0
139.07597	0.4
139.11137	0.6
141.05376	0.5
141.09077	3.0
142.07791	0.5
143.03416	0.7
143.08508	2.1
143.10649	0.6
145.04947	1.6
145.06425	0.5
145.10077	4.2
147.06496	10.3
147.07986	1.1
147.11667	4.4
149.05977	0.7
149.09601	1.1
149.13235	2.9
151.07535	0.6
151.11143	0.9
153.05434	2.3
155.08510	1.0
157.04959	1.9
157.10089	2.4
159.06546	0.8
159.08067	1.0
159.10181	1.0
159.11687	4.3
161.06021	0.4
161.09612	1.5
161.13235	2.9
163.05966	1.4
163.07301	0.4
163.11130	0.7
163.14844	2.0
165.05415	0.5
165.07637	0.4
165.09062	0.5
165.12724	0.4
169.04926	0.5
169.10132	1.4
171.06514	2.5
171.11655	2.9
173.09590	1.1
173.13193	2.9
175.11194	1.2
175.14790	2.0
177.09230	0.3
177.12733	0.9
177.16400	1.4
179.06972	0.8
179.10646	1.9
179.14195	0.5
183.06520	0.8
183.11658	1.6
185.09648	0.6
185.13229	1.6
187.11142	0.5
187.14742	3.0
189.07492	0.3
189.12744	0.8
189.16344	2.6
191.10570	0.4
191.17912	2.7
193.08498	0.4
195.06563	0.9
195.11697	1.1
197.13301	1.2
199.05913	0.7
199.11209	0.4
199.14764	1.7
201.07574	1.3
201.12730	0.6
201.16338	2.6
203.14320	1.0
203.17931	1.8
205.05487	0.3
205.12210	0.4
205.15836	0.3
209.13274	1.1
211.14807	1.0
213.07607	0.7
213.12717	1.2
213.16354	1.6
215.14299	0.6
215.17960	1.0
217.10687	1.1
217.15759	0.4
217.19438	0.7
219.13863	0.5
221.07947	0.5
223.14795	0.5
225.07544	5.9
225.16350	0.8
227.14307	0.7
229.15878	0.7
229.19508	0.9
231.08670	0.5
231.13786	0.6
231.17352	0.6
235.14890	0.4
237.16403	1.1
239.09120	5.6
239.17926	0.5
241.15862	0.5
241.19519	0.7
243.08618	3.7
243.20985	2.5
245.15369	0.8
251.17978	0.6
253.19447	0.8
255.17339	0.5
255.21033	0.9
257.10156	2.7
261.09625	3.1
265.19510	0.5
267.21082	0.5
268.22156	0.4
269.22604	0.5
271.20508	0.4
273.18396	0.4
275.11246	2.0
279.10693	4.3
279.21021	0.4
281.19339	0.3
281.22699	1.3
283.21146	0.4
283.24023	1.7
285.18689	0.4
293.12204	1.9
293.22614	4.0
295.24207	1.1
297.22003	0.4
299.19992	0.4
301.21677	0.5
311.23608	3.3
311.27017	0.5
313.21707	0.5
313.25211	0.6
315.23233	0.5
321.25690	0.7
323.27463	0.5
339.23068	0.6
339.26840	0.9
349.25067	1.6
351.26703	1.5
357.24121	2.6
358.69101	0.3
363.26907	0.3
365.28275	1.6
367.26111	1.1
367.30179	0.5
375.25696	0.4
381.27988	0.4
383.29346	2.5
393.31534	0.4
401.30667	0.6
407.32730	0.8
411.32959	0.5
417.31454	0.8
425.34207	1.2
435.32471	7.8
437.34229	1.6
441.33572	1.2
453.33554	23.1
454.34076	1.1
455.35031	2.4
461.28891	0.5
464.20163	0.4
467.94333	0.3
471.34631	24.0
472.35010	1.4
473.36298	1.7
489.35641	23.2
490.36121	1.1
585.38000	0.8
603.39038	3.4
621.39807	6.3
622.39899	0.5
661.38782	0.4
731.43427	1.2
733.44916	0.8
749.44586	16.2
750.44470	1.1
751.45654	0.7
767.45581	52.9
768.46033	4.1
805.43701	0.7
877.49207	0.7
895.50385	9.6
895.67670	0.7
896.50928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5142
Annotation	Kalopanaxsaponin H
Peak:m/z	Relative Intensity
65.03915	0.8
67.05495	12.0
69.03417	21.6
69.03765	1.0
69.07060	9.4
71.01344	4.6
71.04980	24.8
71.08565	0.6
73.02902	31.9
73.06499	0.9
75.04465	59.8
75.05073	1.5
79.05476	7.2
81.03400	4.9
81.07042	21.6
82.07352	0.6
83.04965	17.9
83.08604	4.6
84.08073	0.5
85.02887	57.3
85.06493	1.9
87.04445	5.4
89.05996	1.0
91.05458	7.8
93.07024	18.4
95.04958	5.6
95.08589	29.9
97.02871	23.2
97.06508	3.1
97.10134	3.5
98.20715	1.2
99.04434	13.0
99.08060	2.7
101.05995	11.3
103.03877	1.2
103.05437	1.0
105.07016	15.6
107.04897	1.8
107.08570	27.9
108.08794	0.5
109.02812	2.2
109.06498	3.7
109.10137	38.5
110.07098	1.1
110.10387	0.8
111.04418	26.1
111.08020	1.7
111.11665	0.9
113.05937	1.2
113.09582	0.6
115.03909	14.1
115.05408	0.5
117.05496	2.6
117.06985	4.2
118.06473	1.3
119.04906	0.8
119.08555	19.5
120.08890	0.6
121.06495	2.9
121.10121	23.1
122.05917	0.5
123.04341	1.4
123.07992	1.9
123.11679	17.0
125.05887	1.5
125.09605	6.3
127.03889	5.9
127.07478	0.5
127.11171	12.3
128.06186	0.9
128.11433	0.5
129.05455	22.2
129.06889	2.7
131.07629	0.6
131.08536	8.9
133.04939	10.9
133.06451	1.3
133.10104	19.9
134.10339	0.6
135.04338	0.9
135.08002	3.3
135.11667	22.7
137.05878	1.3
137.09628	2.8
137.12401	0.6
137.13228	7.3
139.03874	3.2
139.07489	0.8
139.11061	1.2
141.06891	0.7
141.12619	1.0
142.07698	0.9
143.03259	0.5
143.08519	4.9
143.10561	1.9
144.09314	0.6
145.02802	0.5
145.04860	2.0
145.06450	1.1
145.10106	14.8
145.28783	0.5
146.05925	2.2
147.04347	1.7
147.06496	17.1
147.07930	2.0
147.11661	14.6
149.09575	3.4
149.13220	8.9
151.03868	0.6
151.07457	1.1
151.11050	1.3
151.14754	1.2
152.84042	0.5
153.05374	1.4
153.12666	1.7
155.08472	2.0
155.10551	1.6
156.09229	0.7
157.04961	2.7
157.08879	0.6
157.10098	8.4
158.10779	1.5
159.07968	1.6
159.10359	0.7
159.11659	13.1
160.12321	0.6
161.09633	2.9
161.12064	0.7
161.13243	10.5
162.13542	0.5
163.03882	1.1
163.05946	1.8
163.07373	1.0
163.11124	1.5
163.14775	5.0
165.12694	1.3
167.08548	0.7
167.14317	0.6
169.04916	0.7
169.10115	3.4
170.10881	0.7
171.06462	2.6
171.07872	1.0
171.11652	8.1
173.09518	2.2
173.11862	0.7
173.13240	9.2
175.11208	2.4
175.14810	8.0
177.05421	1.3
177.08965	0.7
177.12648	1.9
177.16299	4.0
179.07027	0.6
179.10629	0.7
179.14236	1.6
180.09285	0.5
181.04854	0.9
181.10071	0.9
182.10934	0.7
183.11644	4.1
184.12386	0.6
185.13220	6.7
187.05969	0.6
187.11092	1.5
187.14792	11.1
188.06950	0.9
189.08989	0.5
189.12656	1.8
189.16348	10.1
191.10612	0.8
191.14165	1.5
191.17905	7.2
193.12131	1.3
193.15807	0.6
195.06482	0.9
195.11589	2.1
195.13741	0.7
197.08054	0.6
197.13210	4.7
199.05917	1.6
199.10974	0.8
199.14767	5.7
201.12657	1.6
201.16360	7.5
203.14195	1.8
203.17920	7.8
205.11977	0.6
205.15804	1.2
207.11714	1.1
207.13731	1.0
207.17346	1.3
209.13194	2.5
210.13930	0.6
211.14822	4.6
212.15491	1.4
213.12682	1.1
213.16335	4.9
215.14238	1.9
215.17914	3.7
217.06989	1.1
217.15904	2.6
217.19424	1.9
219.13733	1.2
219.17374	0.9
220.01907	0.5
221.13251	0.6
221.15266	0.7
223.14778	2.3
225.07559	5.7
225.16310	3.0
226.17122	0.5
227.11929	0.6
227.14278	1.6
227.17918	4.6
229.15871	3.1
229.19406	1.8
230.15395	2.4
231.13663	0.8
231.17360	1.5
233.15274	2.6
233.18842	0.8
235.16939	1.2
237.16255	1.5
239.09000	0.7
239.17964	2.5
241.15834	1.1
241.19492	3.6
243.08620	5.6
243.17369	2.2
243.20992	3.6
245.15273	1.0
245.18982	1.2
247.16891	3.5
249.18587	1.2
251.17902	1.0
253.19511	3.9
255.17416	1.0
255.20961	4.0
257.18817	0.9
259.16895	1.1
259.20465	0.9
261.09671	2.6
261.18561	1.0
261.22046	2.4
263.17935	0.6
265.19595	1.3
267.17905	0.6
267.20874	2.6
269.19003	1.2
269.22559	1.0
271.20465	1.7
273.18512	0.8
273.22015	0.8
275.19962	1.4
277.19379	0.9
279.10730	2.7
279.20685	0.9
281.22491	1.1
283.20560	1.7
283.24088	0.8
285.18784	0.9
285.22046	6.9
287.19864	0.8
293.22452	1.0
295.20569	0.8
295.23999	0.9
297.22046	2.1
297.25348	0.6
299.19998	0.7
299.23505	0.8
301.21582	2.1
303.23187	4.0
305.22473	0.7
307.23880	0.7
309.22006	1.1
309.25446	0.6
311.23782	2.4
313.21692	0.7
315.23105	3.2
321.25641	1.6
323.27109	0.7
329.24698	1.3
333.25665	1.9
339.26886	1.0
347.27014	1.0
349.28821	4.2
351.26880	1.2
355.26358	0.8
363.26639	1.2
367.29883	0.7
369.27744	1.0
377.31894	1.4
379.30127	0.8
381.28003	0.7
387.29071	1.0
389.32132	1.1
391.33200	1.1
395.33224	3.4
400.16397	0.9
401.31964	1.8
407.33051	10.3
409.34518	2.4
419.33008	25.1
425.34061	23.9
426.34421	0.9
427.35876	0.7
435.27475	0.9
437.34073	67.5
438.34515	3.1
443.35092	8.3
453.33365	1.9
455.35135	89.5
456.35599	4.5
461.28888	1.1
471.34729	1.2
473.36179	100.0
474.36508	4.3
479.34836	0.5
489.35641	1.7
569.38391	0.7
581.33087	2.3
587.39258	5.9
599.38837	0.7
603.37769	0.5
605.40381	14.0
606.41052	0.7
617.40405	0.9
621.39917	0.8
665.38348	0.8
701.37646	0.9
707.26733	0.8
721.45203	1.3
733.45074	43.3
734.45618	2.1
743.29291	1.4
749.44543	1.4
751.46100	17.0
751.59760	0.9
752.46002	1.1
767.45441	1.3
863.43121	1.1
895.50800	1.0
913.50470	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	913.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
67.05492	2.8
69.03416	6.4
69.07049	1.4
70.06579	0.2
70.40833	0.8
71.01338	0.6
71.04977	35.0
71.13139	0.2
72.05313	0.4
73.02904	2.6
73.06542	3.1
75.04469	1.5
77.03907	0.2
79.05470	2.6
81.03395	1.0
81.07044	3.8
83.04964	8.7
83.08595	3.8
85.02888	25.9
85.06525	10.7
86.03213	0.3
86.06068	0.2
87.04482	1.0
91.05459	2.0
93.07033	2.8
95.04948	1.5
95.08588	4.0
97.02875	3.8
97.06517	0.8
97.10149	9.3
99.04438	1.7
99.08029	0.2
103.03912	0.4
105.06293	0.3
105.06999	3.1
107.04945	0.6
107.08572	25.5
108.08901	0.6
109.02826	0.4
109.06517	1.3
109.10133	3.7
110.07120	0.3
111.04421	5.3
111.08054	0.3
113.05936	0.5
114.09183	0.2
115.03904	2.5
115.05372	0.2
117.05482	0.6
117.06962	0.5
119.08559	2.6
121.06491	0.8
121.10126	2.9
123.08090	0.9
123.11704	1.5
124.07478	0.2
125.09608	43.2
126.09949	0.5
127.03915	1.1
127.11141	0.8
128.06169	0.4
129.05455	7.6
129.06975	0.5
130.08606	0.3
131.04820	0.3
131.08543	1.4
133.04924	0.5
133.06477	0.4
133.10114	2.4
135.04402	0.3
135.11678	2.1
137.05942	0.6
137.09566	0.7
137.13208	0.3
139.03847	0.5
139.11229	0.2
141.06966	0.2
143.10646	100.0
144.11006	1.3
145.02812	0.2
145.04956	0.4
145.06395	0.2
145.10086	2.0
147.04385	0.5
147.06485	2.7
147.07712	0.4
147.11670	1.6
149.09576	0.5
149.13222	1.5
151.03873	0.2
153.05429	1.0
153.75206	0.2
155.08511	0.6
157.05025	0.6
157.10091	1.2
158.10825	0.2
159.08023	0.3
159.11674	2.3
161.09537	0.4
161.13196	1.2
163.03865	0.3
163.05905	0.4
163.07361	0.2
163.11118	0.3
163.14792	0.5
167.07066	0.2
169.04869	0.2
169.10095	0.6
171.06503	0.7
171.11641	1.0
173.09579	0.3
173.13161	0.9
175.11209	0.3
175.14774	0.5
177.05498	0.5
177.12714	0.3
177.16370	0.6
179.07039	0.2
181.10110	0.2
183.11668	0.8
185.13281	1.0
187.14793	0.8
189.12666	0.4
189.16353	1.2
191.17894	0.7
192.09348	0.2
193.12262	0.2
195.06425	0.3
195.11655	0.5
197.13242	0.7
199.14801	0.6
201.12668	0.3
201.16289	0.9
203.09056	0.2
203.14293	0.3
203.17909	0.5
205.15816	0.4
207.17433	0.3
209.13155	0.4
211.14745	0.6
213.07426	0.2
213.16312	0.8
215.14259	0.5
215.17940	0.3
217.10509	0.4
217.19568	0.4
225.07538	1.5
225.16318	0.3
227.17844	0.3
229.15833	0.5
230.15350	0.3
233.15474	0.2
237.16373	0.5
239.09091	1.6
239.17899	0.2
241.15816	0.2
241.19518	0.5
243.08589	1.2
247.16852	0.3
251.17786	0.3
253.19568	0.4
257.10168	0.4
259.20581	0.6
261.09641	0.6
265.19431	0.2
267.20746	0.2
269.18979	0.2
271.20554	0.3
275.11099	0.7
279.10709	1.4
281.18924	0.2
289.16162	0.2
293.12149	0.7
307.24030	0.2
311.23569	1.0
329.24463	0.6
344.22064	0.4
345.25366	0.3
347.26926	0.7
357.24005	0.8
365.28125	0.7
377.28107	0.6
383.29410	1.3
395.29071	0.3
401.30417	0.4
405.31323	0.7
417.31461	1.3
423.32156	0.3
435.26993	0.3
435.32407	2.0
436.32446	0.2
437.34064	0.4
439.35602	0.2
453.33612	3.3
454.34351	0.3
455.35141	1.2
457.30011	0.2
457.36526	0.2
471.34616	7.6
472.35120	0.2
473.36331	2.0
475.30542	0.3
479.29669	0.2
489.35736	2.5
490.36536	0.2
493.31186	0.6
511.66888	0.2
548.52490	0.3
585.37634	0.3
590.35962	0.2
599.38568	0.4
603.38837	3.1
605.40039	0.3
617.40808	1.1
621.39819	1.0
715.33588	0.2
723.11566	0.2
731.42529	0.5
740.81342	0.2
747.90625	0.2
749.44501	1.4
751.45337	0.5
767.45508	1.6
796.08350	0.2
895.48334	0.6
899.50861	0.2
913.48059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.3
67.05494	12.4
69.03419	2.5
69.07054	6.4
69.83883	1.2
69.84311	0.9
71.04967	2.1
71.08619	14.0
73.02895	1.8
78.98610	0.3
79.05481	9.7
81.03403	27.9
81.07040	17.6
83.04965	7.1
83.08602	14.8
85.02890	16.9
85.06540	1.6
85.09671	0.5
85.10164	8.1
86.37939	0.3
87.04432	0.4
89.05996	0.7
91.03933	5.0
91.05462	13.2
93.07030	7.0
95.04954	11.8
95.08592	12.2
97.02876	5.3
97.06512	1.6
97.10149	6.2
99.04417	0.8
99.08064	1.1
99.11696	0.7
103.07549	0.4
105.07012	9.0
107.04939	3.5
107.08575	3.6
109.02856	0.4
109.06493	2.0
109.09397	0.3
109.10134	5.7
111.04430	1.5
111.08059	6.1
111.11728	1.4
113.06017	1.4
115.05399	0.7
116.59391	0.3
116.68979	0.3
117.06965	0.5
119.04929	0.4
119.08562	8.6
121.06477	0.4
121.10122	4.9
123.08031	1.1
123.11707	2.7
125.09556	0.5
127.03875	1.6
127.07555	0.3
129.06982	4.7
131.07625	0.5
131.08533	5.6
133.06448	1.2
133.09154	0.4
133.10100	6.0
135.11688	0.4
137.09554	1.0
137.13219	0.8
142.07727	1.2
145.04944	2.0
145.10081	1.1
147.08043	1.4
147.11659	9.6
149.09586	3.5
151.14856	0.3
157.10106	7.7
163.06020	2.4
163.11087	0.3
165.12770	1.5
175.11153	8.2
193.12212	24.2
211.13258	38.0
249.14696	0.4
249.25641	0.3
267.15866	15.6
267.26874	1.0
285.16913	55.0
286.17227	0.9
341.30453	55.3
342.30872	1.1
493.39233	0.4
519.40320	0.4
533.41986	13.0
534.42999	0.4
551.42987	100.0
552.43225	2.7
695.47479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03895	2.1
65.96531	0.5
66.15728	0.5
67.05492	63.1
69.03391	2.5
69.04524	0.7
69.07057	9.8
71.04982	12.8
71.79368	1.0
73.02877	2.3
77.14825	0.5
79.05026	1.2
79.05477	24.3
81.03425	2.8
81.07043	30.1
83.04973	3.1
83.08606	7.6
85.02892	8.8
85.06506	2.8
87.14845	0.5
91.03939	4.8
91.05465	16.4
93.07029	32.8
95.04958	4.6
95.08591	24.1
97.02867	5.1
97.06500	3.7
97.10130	2.2
99.04439	0.8
99.08036	1.2
105.07013	8.9
107.07900	1.0
107.08572	15.1
109.06487	1.3
109.10136	50.0
111.08059	3.1
113.09586	0.5
117.06995	3.9
119.07722	1.0
119.08557	15.5
121.06467	0.9
121.10126	13.9
123.08031	1.0
123.11642	1.8
125.09576	1.6
127.03867	1.8
129.05435	0.7
129.06938	0.9
131.08553	5.9
133.10095	5.4
135.08031	0.8
135.11671	12.8
137.09604	7.4
137.13249	0.5
139.11046	0.6
143.08534	0.6
145.04926	1.8
145.10086	6.4
147.11665	4.3
149.09616	1.2
149.13248	3.2
151.11143	1.4
155.10623	2.0
157.10144	0.7
159.11621	2.3
161.13254	2.6
163.05986	2.1
163.11156	2.7
163.14798	1.0
165.12721	1.0
169.12152	1.1
171.11720	0.6
173.11699	8.1
173.13232	2.3
175.11101	0.9
175.14719	0.8
181.12239	0.9
183.11571	0.7
185.13232	0.7
187.14780	1.3
191.99203	0.5
211.13174	0.8
213.14764	0.8
229.12177	0.6
229.14302	2.2
243.15961	1.4
243.21068	0.9
247.48187	0.6
250.93878	0.6
255.15881	4.5
259.20493	0.6
261.22003	2.9
267.15863	1.3
271.15421	0.7
275.20081	0.7
285.17029	1.1
287.18497	15.5
317.24734	0.9
333.24234	0.7
335.25735	23.7
336.26022	1.3
337.27353	2.0
363.25317	0.7
397.30844	0.9
423.32776	1.0
431.22787	1.0
471.34570	2.9
489.35690	85.5
490.36093	2.0
497.36624	1.1
503.37256	2.1
510.88965	0.6
515.37238	20.9
521.38220	0.6
529.39008	1.8
533.38489	1.8
546.38843	0.7
547.39850	100.0
548.40369	3.4
659.41400	1.0
691.43860	2.9
733.94171	0.7
780.37836	0.7
867.01312	0.6
906.49506	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	906.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.1
67.05495	72.2
68.05815	0.8
69.03430	2.8
69.07059	10.5
71.04982	16.4
71.08609	0.8
71.80619	1.3
72.71960	0.6
73.02909	1.9
75.05956	0.5
79.05010	0.9
79.05483	26.2
81.03400	3.2
81.07046	33.4
83.04956	3.3
83.08612	6.9
85.02892	9.7
85.06544	2.9
86.09686	0.6
87.04486	0.6
88.53915	0.5
91.03958	5.5
91.05466	19.0
92.05772	0.7
93.07028	32.5
95.04961	4.0
95.08592	26.8
97.02875	5.0
97.06525	3.5
97.10139	2.7
99.04467	1.5
99.08096	1.4
105.07012	9.6
107.04951	0.5
107.08578	16.9
109.02849	1.2
109.06525	2.3
109.10140	54.1
111.08054	2.5
117.07009	3.9
119.08562	16.9
121.10129	14.0
121.10965	1.0
123.08057	0.9
123.11720	2.6
125.09614	0.9
127.03908	2.3
129.06996	1.3
131.08534	5.8
133.10106	6.6
135.08066	0.6
135.11671	12.9
137.09584	8.3
139.11223	1.1
140.41536	0.6
143.08578	1.2
145.04976	2.1
145.10115	6.4
147.08102	0.6
147.11665	5.0
149.13228	3.8
151.11104	1.0
155.10693	2.1
157.10127	1.2
159.11708	3.8
161.13275	2.3
163.06023	2.6
163.11226	3.2
163.14793	1.2
169.10081	0.7
169.12247	0.7
171.11702	1.3
172.20554	0.5
173.11754	7.4
173.13275	2.5
175.14810	1.2
177.12741	0.6
181.12260	1.4
183.11627	0.8
185.13182	0.9
187.14795	1.2
191.14284	0.7
199.14868	0.9
211.13219	0.8
213.14839	1.3
229.14415	2.1
243.15991	1.8
243.21060	0.7
253.14362	0.8
255.15866	5.2
259.20541	1.6
261.22174	2.8
269.17535	0.7
285.17062	0.9
287.18475	13.4
293.85141	0.5
318.18991	0.6
335.25757	24.6
336.26099	0.7
337.27286	1.6
379.30109	0.5
397.30814	0.7
423.32364	0.8
431.22833	1.4
471.34537	3.1
489.35706	85.9
490.35999	3.0
497.36450	1.1
503.37268	2.2
515.37219	20.6
516.37469	1.2
529.38770	1.6
533.38354	1.5
547.39874	100.0
548.40253	3.7
633.39899	1.1
641.40619	0.6
659.41614	1.3
691.43854	2.2
906.50391	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	904.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.7
67.05492	33.6
69.03421	3.0
69.07053	8.5
71.00673	0.7
71.01322	0.5
71.04981	2.6
73.02901	2.2
77.03906	0.5
79.05478	25.9
81.03403	30.6
81.07038	35.0
82.07365	0.3
83.04962	8.3
83.08604	13.9
84.08916	0.3
85.02887	19.3
85.06515	1.5
86.25195	0.3
88.21751	0.2
91.03937	5.0
91.05461	23.4
92.05791	0.4
93.07025	29.5
95.04947	13.6
95.08586	24.6
96.04446	0.6
97.02876	6.5
97.06509	2.8
97.10137	3.4
99.04446	0.9
99.08070	0.9
103.05479	0.3
105.04498	0.4
105.07011	18.2
106.07313	0.3
107.04942	3.3
107.08571	14.6
109.02845	0.6
109.06505	2.9
109.10135	9.6
109.69237	0.2
111.04434	1.4
111.08060	5.8
111.11665	0.3
113.05981	1.5
115.03933	0.3
115.05431	0.8
117.06996	4.0
119.08557	14.3
121.06509	1.0
121.10122	14.0
123.08041	2.1
123.11670	3.6
125.09614	1.4
127.03877	2.1
127.07530	0.4
128.06203	0.6
129.05475	0.4
129.06975	5.3
131.08540	10.1
133.06470	1.5
133.10106	9.5
135.08025	0.7
135.11664	6.1
137.09575	1.8
137.13231	0.9
139.11151	0.5
142.07736	1.4
143.08521	0.8
145.04945	2.0
145.10101	4.9
147.08052	1.4
147.11656	10.4
149.09608	3.6
149.13235	3.4
151.11099	0.6
155.08566	0.4
157.10094	7.7
157.11374	0.4
159.11656	2.4
161.13217	2.3
163.06003	2.4
163.11172	0.8
163.14764	1.5
165.12758	1.8
167.14223	0.3
169.10107	0.5
171.11673	0.7
173.13255	2.0
175.11153	8.2
175.14819	0.9
177.12776	0.4
177.16364	0.6
180.59425	0.2
183.11670	0.6
185.13187	0.6
187.14688	1.3
189.11215	0.5
189.16313	0.4
193.12204	22.5
194.12569	0.4
197.13318	0.3
199.13187	0.3
199.14865	0.3
201.16330	0.4
211.13254	29.5
212.13522	0.6
227.12703	1.1
229.14275	0.8
233.22508	0.3
243.21056	2.1
249.14824	0.6
259.20413	0.3
261.22116	8.2
267.15845	9.2
269.17145	0.3
273.18448	0.3
279.23175	0.3
285.16913	39.8
286.17340	0.7
291.19479	0.6
301.25250	0.4
303.22903	0.3
317.24768	1.9
335.25739	59.2
336.26205	1.2
341.24738	0.3
365.23071	0.3
417.31122	0.4
435.32562	1.8
453.33505	1.5
471.34662	0.9
481.32635	0.3
509.36087	0.5
527.37201	12.2
528.37720	0.4
545.38293	100.0
546.38690	2.8
563.39014	0.8
689.41821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	0.7
65.64033	0.5
65.70697	0.5
67.05473	1.2
69.03364	1.6
69.07063	4.1
69.61067	3.8
70.06539	1.8
79.05437	2.0
80.04974	0.6
81.03407	3.1
81.07010	1.5
82.06569	5.7
84.08118	3.6
85.02844	1.4
89.03871	0.7
91.05424	2.1
93.05761	0.6
93.06982	1.5
94.06551	4.1
95.04906	1.6
97.02824	1.5
98.05986	1.2
105.06992	1.2
106.06542	4.1
107.04900	0.8
107.08572	0.6
108.08104	42.6
109.02826	1.6
109.06437	0.6
110.06026	55.7
111.04398	0.9
112.07597	11.5
114.09103	1.4
115.05425	0.8
117.03360	1.3
119.04867	1.3
119.08535	1.1
120.04353	0.8
120.07277	0.7
120.08076	6.2
121.02859	0.7
121.05168	0.7
121.10149	0.7
122.05222	0.7
122.06019	11.7
122.09647	3.7
123.04347	0.6
124.07529	1.3
127.03818	2.1
128.07024	1.5
130.08623	34.9
131.04860	0.6
132.08063	0.9
133.02798	0.8
134.05959	2.4
134.09622	2.6
135.04446	0.6
136.03841	0.6
136.07553	4.8
137.05946	2.6
140.06012	1.0
140.07037	14.7
144.04445	0.8
145.02754	2.3
145.10033	0.6
146.05978	3.9
147.04321	2.2
148.07533	11.9
149.05916	1.1
150.09126	14.6
152.06992	1.3
154.08601	0.6
158.06020	0.8
160.07516	2.0
162.05397	0.9
162.09119	10.4
163.03853	1.0
163.48050	0.5
164.07050	1.2
164.10701	0.7
166.08604	3.9
167.06964	2.2
168.10155	1.0
172.03897	5.4
172.07565	0.8
172.09653	0.5
174.05486	7.8
174.09068	2.0
175.03839	0.6
175.07462	0.9
176.06989	5.2
176.16405	0.5
177.05438	4.7
190.05006	1.1
191.05702	1.0
192.06592	1.3
197.10733	1.1
199.12172	1.0
200.07080	1.2
201.05331	0.9
202.08572	2.3
204.06532	8.4
206.08076	2.6
207.06450	1.3
208.09605	3.7
209.10800	0.8
210.11497	1.5
211.12274	2.3
212.12874	1.3
213.10129	0.6
214.08649	1.1
214.10744	0.6
216.10114	1.5
218.08145	0.6
220.09782	0.6
221.10709	1.4
222.11433	0.8
223.12256	4.1
224.13060	2.5
225.10176	1.9
225.13832	4.3
226.10858	0.9
227.11765	9.2
228.06488	1.1
229.13315	4.8
230.08102	0.9
232.09770	1.0
235.12250	3.7
235.14326	0.9
236.09262	1.3
236.13062	2.9
237.10185	6.0
237.13760	3.1
238.10883	3.9
238.14563	1.2
239.09563	0.4
239.11743	8.9
240.12480	2.3
241.09599	0.6
241.13228	3.1
243.11215	1.2
247.12271	0.6
248.09619	1.0
249.10179	7.5
249.13928	0.9
250.10915	5.3
251.11766	20.2
252.12537	5.4
253.09496	1.1
253.13339	13.7
254.14027	2.1
255.11249	1.3
259.10861	1.1
261.09998	1.0
261.12335	2.1
262.10889	2.6
263.11777	17.9
264.08899	6.8
264.12509	12.8
265.09683	8.9
265.13309	20.9
266.10556	5.2
266.14011	3.8
267.11197	9.0
267.14874	2.4
268.11963	1.3
269.12833	3.8
271.14355	2.1
275.11768	5.5
276.09055	0.7
276.12534	1.6
277.09711	9.3
277.13306	11.7
278.10455	11.5
278.13629	1.1
279.11240	86.9
280.08926	0.7
280.12009	16.8
281.12805	17.8
283.10788	0.6
283.14261	0.7
285.12271	2.0
287.13730	1.0
290.12329	1.1
291.11252	20.7
291.14716	1.1
292.11932	13.3
293.12808	32.0
294.13544	3.9
295.10739	4.5
295.14377	4.9
296.11444	1.6
297.12286	6.4
298.13153	1.1
299.13824	3.2
303.11298	2.7
304.12134	1.0
305.09152	0.9
305.12769	2.1
306.09943	1.1
306.13443	1.0
307.10635	2.1
307.14124	1.1
309.12326	6.7
310.13007	4.1
311.10226	1.3
311.13763	7.7
312.14600	1.9
313.11752	1.9
313.15451	2.8
314.12497	0.6
319.10721	19.0
320.11508	12.3
321.12299	27.1
322.12711	1.4
323.13876	2.2
325.11716	1.6
325.15308	1.1
329.15143	0.9
330.15884	0.7
333.12302	1.8
335.13995	1.3
337.11792	4.1
338.12122	2.5
339.13351	8.0
341.14926	1.1
343.13306	0.7
345.14502	2.1
351.13351	1.8
352.13840	0.8
353.14764	2.2
356.13748	1.0
357.14771	0.7
358.15417	0.8
371.16290	0.7
372.17053	1.2
381.14536	1.2
382.15558	1.3
383.16122	0.8
384.13321	1.1
387.15335	0.7
395.16058	1.9
396.17136	0.9
398.18668	1.1
400.16492	8.7
401.17072	1.0
402.18228	1.2
407.15887	0.8
413.17236	1.0
414.18323	1.3
415.18320	0.8
417.14517	0.5
418.17648	2.3
420.18710	2.1
421.17706	0.9
423.15353	1.3
424.16516	0.7
425.17337	0.6
431.18277	0.8
433.19019	0.9
435.15576	1.6
437.16962	2.4
439.20721	61.2
440.21280	0.7
441.16605	2.7
442.17575	4.8
443.18332	0.9
445.14230	0.9
453.16351	2.5
454.17267	0.8
455.18121	1.6
459.17551	0.9
460.18506	4.1
461.19305	1.2
463.15054	4.2
464.15778	1.7
465.16635	2.0
469.16235	0.8
473.19122	0.7
478.19678	1.5
481.16034	9.4
481.22501	1.0
482.16681	6.0
483.17670	7.9
484.18463	0.7
499.17181	1.5
501.18683	1.5
502.19489	0.8
520.20874	0.7
560.25946	14.2
562.27582	23.5
568.20728	1.2
570.24176	3.7
571.25006	0.8
572.26062	4.6
578.24945	1.2
582.24249	0.8
583.25262	2.1
584.25818	1.1
586.21960	3.7
598.23846	4.2
601.26807	0.9
604.22736	5.7
610.23767	8.0
611.24573	3.5
612.25421	10.7
614.26984	4.1
618.24127	0.8
622.23859	12.1
640.24213	0.9
642.26428	2.4
643.27197	1.2
644.28082	7.9
646.29688	1.7
654.26343	2.4
691.28259	0.7
709.28558	4.8
711.32214	1.0
727.29272	3.3
733.30652	20.5
734.31378	2.2
739.31989	0.9
745.30768	8.0
751.31720	100.0
752.31641	4.2
753.33337	1.8
766.33740	0.6
777.32147	0.9
783.34308	9.2
784.34448	0.8
856.37494	1.9
874.38556	35.1
875.38702	1.7
906.40796	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	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.3
66.52113	0.3
67.05492	41.4
69.03415	4.3
69.07056	10.6
71.04977	4.3
71.08614	0.4
71.28237	0.6
73.02905	4.2
77.03896	0.3
79.05479	31.0
81.03402	48.0
81.07040	43.3
82.03724	0.5
83.04965	11.6
83.08603	20.5
84.09049	0.4
85.02890	26.0
85.06544	1.8
91.03944	9.2
91.05463	30.2
92.05748	0.4
93.07027	30.7
94.07333	0.7
95.04951	20.1
95.08589	28.2
96.04520	0.3
97.02875	8.5
97.06511	4.4
97.10144	3.4
99.04449	1.0
99.08082	1.5
103.03923	0.6
103.05453	0.6
105.07012	22.4
107.04950	4.6
107.08575	17.7
107.09315	0.9
109.02885	0.6
109.06500	4.2
109.10138	11.0
111.04416	1.8
111.08065	9.0
113.05992	2.2
113.09628	0.4
115.03887	0.3
115.05442	1.2
117.07003	4.0
119.04910	0.9
119.08562	19.3
121.06469	1.7
121.10122	17.2
123.04428	0.4
123.08047	3.0
123.11683	4.8
125.05956	0.4
125.09592	2.1
127.03905	2.7
127.07536	0.5
128.06198	0.7
129.05499	0.5
129.06976	9.0
129.98869	0.3
131.08546	14.9
133.06473	2.2
133.10101	14.3
135.08040	0.9
135.11667	8.4
137.09590	1.7
137.13237	1.2
139.11143	0.5
141.06940	0.3
142.07748	2.1
143.08560	1.3
145.04936	3.2
145.10098	5.7
147.08057	2.6
147.11658	14.4
149.09607	4.9
149.13235	3.6
151.11174	0.7
155.08514	0.7
157.10100	12.2
159.11662	3.5
161.09579	0.5
161.13261	2.9
163.05995	4.1
163.11162	1.9
163.14787	1.5
165.12741	2.8
169.10074	0.4
171.11673	0.7
173.13214	2.2
175.11163	12.6
175.14732	0.9
177.12776	0.5
177.16379	0.7
185.05946	0.4
185.13252	0.5
187.14763	1.9
188.35712	0.4
189.11224	0.8
193.12212	37.2
194.12585	0.6
195.13799	0.3
197.13231	0.6
199.14902	0.5
201.16345	0.9
202.87819	0.3
205.15810	0.5
211.13252	55.8
212.13538	0.6
215.17987	0.3
227.12756	1.6
229.14308	1.0
233.22464	0.4
243.21060	2.7
249.14536	0.4
259.20599	0.9
261.19241	0.4
261.22104	8.9
264.08386	0.4
267.15860	15.1
277.21844	0.4
279.23193	0.6
285.16913	69.4
286.17319	0.8
301.25204	1.2
303.22940	0.4
317.24728	2.2
333.24335	0.6
335.25745	56.2
336.26144	1.5
341.24796	0.4
365.23175	0.4
417.31476	1.0
435.32471	2.7
453.33667	2.3
467.77176	0.4
467.83569	0.4
471.34631	1.3
509.36044	0.9
517.39154	0.5
527.37225	15.2
528.37573	0.6
545.38300	100.0
546.38715	2.7
563.39111	1.0
653.39386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.5
67.05494	30.2
67.07243	0.3
68.05810	0.3
68.43525	0.2
69.03426	1.8
69.07056	9.0
69.62282	1.3
69.62711	1.2
71.04984	2.2
71.08597	0.3
73.02897	1.3
77.03896	0.6
79.05479	26.1
81.03409	2.6
81.07041	32.8
82.07394	0.3
83.01329	0.5
83.04961	3.0
83.08605	6.6
85.02891	3.0
85.06518	1.1
86.09727	0.3
86.54002	0.3
91.03943	2.1
91.05465	12.6
93.07028	37.6
94.07365	0.6
95.04953	5.5
95.08590	38.1
96.08932	0.4
97.02873	4.2
97.06506	3.0
97.10152	1.8
99.04440	2.4
99.08065	0.5
105.04562	0.3
105.07010	8.9
107.04942	5.5
107.08572	25.6
109.06492	1.6
109.10139	10.2
111.04451	1.3
111.08060	1.4
111.11672	0.4
113.09631	0.4
114.09118	0.6
115.05415	0.7
117.06994	7.1
119.08563	11.3
121.06499	3.4
121.10121	14.8
123.08040	0.9
123.11689	2.4
125.05965	1.8
125.09604	0.7
127.03881	0.5
127.07523	0.6
129.07002	0.7
130.07762	0.8
131.08543	4.3
133.10114	5.4
135.08076	1.7
135.11668	35.7
136.11954	0.6
137.09616	0.5
137.13242	0.7
139.07504	1.0
140.44156	0.3
143.08563	1.0
145.05051	0.4
145.10101	21.1
147.11671	2.7
149.09676	0.3
149.13239	2.6
151.11108	0.3
153.12714	0.7
159.11696	2.4
160.09668	1.1
161.13196	1.8
163.11156	41.5
163.14764	1.4
164.11401	0.4
173.09624	0.6
173.13171	1.7
175.14806	0.4
177.16321	0.6
181.12209	6.6
184.07291	0.3
187.14804	0.7
193.12300	0.6
209.11723	0.8
227.12737	41.5
228.13052	0.6
229.14531	0.3
230.16296	0.3
243.21088	2.2
261.22104	6.7
267.15842	0.7
283.15356	52.7
284.15674	0.4
313.27301	0.7
314.27747	0.6
317.24789	1.8
319.12708	0.4
329.13132	0.3
335.25748	92.2
336.26056	2.1
465.07022	0.3
505.38531	0.5
543.36725	100.0
544.36926	2.6
561.37866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.3
67.05492	30.0
68.05820	0.8
69.03384	2.2
69.07053	8.7
69.54863	4.0
71.04947	2.0
71.08615	0.7
73.02869	1.5
77.03892	0.6
79.05477	28.1
81.03422	2.4
81.07043	31.9
83.04955	3.1
83.08606	7.1
85.02880	4.0
85.06491	1.3
85.10130	0.7
91.03902	2.2
91.05460	12.1
93.07027	37.1
95.04952	6.2
95.08591	42.8
97.02882	4.6
97.06506	3.0
97.10121	1.5
99.04435	3.9
99.08035	0.8
103.05422	0.7
104.09956	0.4
105.04446	0.5
105.07018	9.4
107.04935	5.9
107.08573	28.3
109.06479	2.0
109.10136	10.9
111.04466	1.0
111.08012	1.6
117.06992	8.7
119.08559	10.5
121.06495	3.5
121.10119	16.3
123.08024	1.1
123.11688	2.9
125.05958	2.2
127.03867	0.9
129.06882	0.6
130.07713	1.3
131.08543	3.9
133.09283	0.5
133.10107	5.2
135.08005	1.7
135.11668	45.2
137.13200	0.7
139.07503	1.1
143.08511	0.6
145.04851	0.6
145.10094	24.1
147.11636	2.0
149.13220	2.9
153.12694	1.0
159.08965	0.4
159.11617	2.5
161.13164	1.9
163.05954	1.0
163.11159	51.6
163.14781	1.8
173.09525	1.3
173.13223	1.7
181.12192	8.7
191.14316	0.8
201.16493	0.6
209.04810	0.5
209.11673	1.1
227.12738	64.6
228.13086	0.6
243.21068	3.1
261.22104	7.9
268.16315	0.7
283.15359	99.0
284.15802	0.8
313.26874	0.5
314.27509	0.5
317.24661	2.3
335.25745	80.0
336.26025	2.3
427.47086	0.5
448.46326	0.5
455.24756	0.5
469.33011	0.6
476.90768	0.5
519.03259	0.5
543.36743	100.0
544.37238	1.7
561.37970	1.7
687.40393	0.7
705.41077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10023	0.4
65.03907	1.4
67.05493	37.6
68.05784	0.7
69.03414	3.3
69.07059	10.2
69.83657	0.7
69.84064	2.1
71.01341	0.9
71.04984	3.5
71.08628	3.1
72.08927	0.9
73.02898	3.8
74.09706	0.5
79.05479	30.4
80.05797	0.4
80.91883	0.4
81.03404	16.8
81.07042	42.0
82.03701	1.5
82.07364	0.4
83.01331	7.0
83.04507	0.7
83.04965	10.1
83.08602	15.8
84.08916	0.8
85.02892	19.7
85.06500	1.2
85.10145	1.8
87.04431	0.9
91.03944	10.3
91.05463	22.1
92.05755	0.6
93.07026	40.9
94.07353	0.5
95.04386	0.7
95.04952	10.1
95.05929	0.4
95.08588	28.8
96.04481	0.6
96.05257	0.6
96.08921	0.7
97.02876	11.0
97.06508	4.8
97.09569	0.6
97.10149	5.4
98.21425	0.5
99.04442	3.1
99.08067	0.7
101.02332	0.6
103.05404	1.4
105.04490	0.4
105.07016	16.1
106.07346	0.5
107.04327	0.6
107.04946	6.5
107.08576	23.5
109.02823	1.3
109.06500	6.5
109.10134	13.2
111.04418	2.3
111.08051	2.7
111.11687	0.5
113.09620	0.4
115.03900	0.9
115.05409	0.8
117.07001	9.0
119.08562	14.4
121.06516	3.5
121.10120	17.9
123.04391	0.6
123.08047	7.9
123.11693	4.6
123.14362	0.4
125.05966	1.2
125.09602	3.8
127.03890	4.6
128.06197	0.4
129.05463	0.6
129.06981	3.2
130.07735	0.7
131.08556	10.7
133.10115	8.7
135.08049	2.6
135.11674	17.0
136.06184	3.1
136.22830	0.4
137.09660	2.1
137.13164	1.4
139.07489	0.6
143.08591	2.0
144.06517	0.5
145.04927	4.8
145.06454	0.8
145.10103	18.0
147.08014	2.4
147.11658	5.4
149.09625	1.9
149.13254	4.4
151.11140	0.8
153.09030	0.4
153.12726	2.5
155.08501	1.4
157.10138	2.5
159.11688	5.0
161.09566	0.5
161.13235	4.1
163.05980	6.0
163.11159	19.2
163.14789	2.9
165.12630	0.4
169.10052	0.7
171.11632	1.4
173.09586	2.3
173.11809	0.7
173.13200	5.2
175.11125	1.3
175.14780	1.6
177.16357	0.9
181.12187	2.5
183.11674	0.4
185.09677	0.4
185.13225	0.7
187.14807	2.8
189.11113	2.9
189.12555	0.5
191.10579	3.3
193.12233	3.5
194.12596	1.2
197.13205	0.8
199.11159	0.4
199.14807	0.9
201.16339	1.2
209.11668	6.4
209.13425	0.6
211.13222	2.2
219.11502	0.5
225.16400	0.6
227.12735	12.4
229.14125	0.5
233.22702	0.5
239.17859	0.4
241.19559	0.8
243.21034	4.8
259.20578	1.9
261.19260	0.6
261.22104	13.3
265.14258	0.4
267.15878	11.7
268.16254	5.4
269.16589	1.8
273.22150	0.8
277.21646	0.7
279.23279	0.6
283.15359	100.0
284.15714	1.6
285.16898	1.2
297.21957	0.6
299.23688	5.4
313.27292	7.6
314.27637	5.8
315.28012	2.5
317.24707	4.2
327.23114	0.5
333.24219	2.3
335.25754	64.8
336.26074	1.2
339.23190	0.5
405.31473	0.5
415.29871	0.8
423.27255	0.6
433.30954	2.3
451.31906	4.3
469.33011	4.1
487.34061	1.6
489.33014	0.7
505.38940	3.1
506.39188	5.3
507.39722	4.5
515.37659	1.1
517.35205	0.5
525.35541	7.4
543.36731	67.8
544.37103	1.8
561.37946	6.1
676.46368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52267	0.5
69.03422	0.9
69.07068	1.9
69.76800	4.7
73.06554	1.6
81.03416	1.7
83.04985	0.5
84.67568	0.7
85.02898	1.8
91.05442	0.6
94.06547	2.2
95.04939	1.2
97.02896	1.6
98.20734	1.1
101.06022	1.2
106.06545	1.3
108.08099	10.0
109.02886	1.5
111.50787	0.5
114.09161	1.5
120.04465	0.8
120.08088	1.5
122.06010	6.8
122.09649	0.8
127.03895	1.0
134.06024	0.8
134.09587	0.6
136.07582	1.8
138.05478	1.2
140.07033	11.2
144.04427	0.7
146.05988	3.8
146.09599	1.1
148.07533	6.8
150.09105	3.6
152.07101	2.6
160.07587	2.0
160.51599	0.7
160.85698	0.5
162.09149	1.2
164.07085	2.3
166.08586	2.8
172.03922	4.8
174.05502	5.1
174.09193	0.9
176.07083	2.8
177.05458	0.6
190.05002	2.1
192.06470	0.8
204.06522	8.0
206.08092	1.4
208.09717	2.1
210.11469	2.0
211.12199	2.8
212.13142	1.4
213.10277	0.6
213.13782	0.6
216.10135	0.8
222.11378	0.8
223.12329	1.9
224.13062	1.7
225.10269	1.0
225.13901	2.4
227.11850	2.2
228.06410	0.7
234.11464	0.6
235.08578	1.2
235.12318	2.2
236.09319	1.0
236.13055	1.0
237.10136	5.5
237.13780	3.3
238.10928	3.1
238.14613	0.8
239.11742	9.2
240.12549	3.0
241.13326	1.6
243.11317	1.2
247.12376	0.7
248.09569	2.0
248.13068	0.7
249.10199	7.2
249.13814	1.3
250.10907	6.8
251.09146	1.3
251.11769	24.6
252.12469	7.3
253.10548	1.0
253.13319	16.7
253.15865	1.2
254.14104	1.6
255.14778	0.9
261.09995	0.7
262.11017	1.7
263.11740	19.5
264.08881	0.9
264.12540	5.2
265.09824	5.4
265.13391	24.7
266.10571	2.9
266.14090	5.4
267.11292	5.7
267.14465	3.6
268.11972	1.1
268.15860	0.8
269.12891	2.0
274.10809	1.7
275.11792	1.6
276.12662	0.7
277.09799	6.6
277.13376	3.7
278.10413	6.7
278.13461	0.8
279.11234	40.5
280.11923	7.2
280.59030	0.6
281.12778	11.2
282.13589	0.8
283.14401	1.4
285.12430	1.4
286.40326	0.7
287.13904	2.6
291.11234	10.8
292.11942	5.0
293.12772	15.7
293.15900	0.8
294.13559	4.0
295.10843	6.5
295.14435	3.9
296.11566	1.8
297.12305	6.9
298.13193	1.7
299.13989	2.6
305.09167	1.0
305.12634	1.2
307.10880	0.6
308.11447	0.8
309.12277	10.0
310.12915	9.0
311.13818	22.3
312.14444	2.9
313.11874	2.7
313.15497	6.2
319.10757	8.2
320.11481	2.5
321.12338	7.7
323.13962	1.8
328.13861	1.2
336.10965	1.2
336.14658	0.8
337.11737	5.5
337.15295	0.9
338.12653	2.2
339.13394	8.8
340.14090	0.7
341.15067	1.2
345.14557	2.2
351.13440	3.2
352.14102	0.8
353.14789	2.7
354.15823	0.8
355.12756	1.4
355.16760	0.7
356.13666	1.1
357.14755	0.6
365.14969	0.8
369.14441	2.9
370.15472	0.9
371.15897	1.4
374.15082	0.9
379.12830	1.7
380.13504	0.8
381.14395	1.9
383.15979	0.9
393.14496	1.3
395.16071	3.2
398.14886	1.2
399.15604	1.5
400.20123	4.2
405.14508	1.0
407.16107	1.1
409.17398	1.2
411.15527	1.4
413.17194	2.4
414.18161	0.9
416.15994	0.8
418.16492	0.6
419.16098	2.6
421.18054	0.7
422.14615	0.8
423.15674	1.3
425.17072	1.3
427.18564	1.9
431.18481	0.7
435.15332	3.1
436.16434	1.0
437.16968	5.9
438.17719	1.3
439.15039	1.7
440.15802	1.7
441.16541	3.5
447.16739	0.6
452.21503	0.7
453.16504	9.2
454.17401	4.1
455.18100	14.0
456.18689	2.3
457.19656	0.9
458.17905	0.7
459.17624	1.1
460.18906	0.9
463.14902	4.8
464.15738	2.3
465.16751	2.6
467.20108	1.9
471.17755	3.1
472.18356	1.5
473.19354	1.6
481.16006	25.9
482.16672	10.7
483.17480	9.1
484.18619	0.9
495.18137	0.8
499.17014	7.1
500.17929	2.6
513.18445	6.1
514.19556	1.7
515.20197	1.9
527.23627	0.8
571.22778	23.6
572.23291	3.9
573.24475	2.5
578.24609	0.7
584.20135	0.6
586.21869	1.2
596.25684	2.4
602.21265	1.0
603.25537	5.0
604.23352	1.9
605.27386	1.4
606.25140	0.7
617.26129	1.2
622.23859	17.1
623.25018	0.8
624.25293	1.8
636.25452	2.0
638.23920	1.0
640.25128	6.1
654.26355	16.7
656.28314	1.0
686.32776	3.2
694.29865	1.6
699.30023	0.7
712.30646	100.0
713.30725	4.8
725.27838	1.1
735.31396	0.8
743.28986	11.0
744.33313	48.9
745.33655	2.9
761.30359	3.1
775.32068	2.8
779.31244	14.4
809.35352	1.0
811.33691	5.2
833.36133	2.2
851.36212	1.2
865.38184	1.6
869.38995	3.0
901.41339	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	901.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52267	0.5
69.03422	0.9
69.07068	1.9
69.76800	4.7
73.06554	1.6
81.03416	1.7
83.04985	0.5
84.67568	0.7
85.02898	1.8
91.05442	0.6
94.06547	2.2
95.04939	1.2
97.02896	1.6
98.20734	1.1
101.06022	1.2
106.06545	1.3
108.08099	10.0
109.02886	1.5
111.50787	0.5
114.09161	1.5
120.04465	0.8
120.08088	1.5
122.06010	6.8
122.09649	0.8
127.03895	1.0
134.06024	0.8
134.09587	0.6
136.07582	1.8
138.05478	1.2
140.07033	11.2
144.04427	0.7
146.05988	3.8
146.09599	1.1
148.07533	6.8
150.09105	3.6
152.07101	2.6
160.07587	2.0
160.51599	0.7
160.85698	0.5
162.09149	1.2
164.07085	2.3
166.08586	2.8
172.03922	4.8
174.05502	5.1
174.09193	0.9
176.07083	2.8
177.05458	0.6
190.05002	2.1
192.06470	0.8
204.06522	8.0
206.08092	1.4
208.09717	2.1
210.11469	2.0
211.12199	2.8
212.13142	1.4
213.10277	0.6
213.13782	0.6
216.10135	0.8
222.11378	0.8
223.12329	1.9
224.13062	1.7
225.10269	1.0
225.13901	2.4
227.11850	2.2
228.06410	0.7
234.11464	0.6
235.08578	1.2
235.12318	2.2
236.09319	1.0
236.13055	1.0
237.10136	5.5
237.13780	3.3
238.10928	3.1
238.14613	0.8
239.11742	9.2
240.12549	3.0
241.13326	1.6
243.11317	1.2
247.12376	0.7
248.09569	2.0
248.13068	0.7
249.10199	7.2
249.13814	1.3
250.10907	6.8
251.09146	1.3
251.11769	24.6
252.12469	7.3
253.10548	1.0
253.13319	16.7
253.15865	1.2
254.14104	1.6
255.14778	0.9
261.09995	0.7
262.11017	1.7
263.11740	19.5
264.08881	0.9
264.12540	5.2
265.09824	5.4
265.13391	24.7
266.10571	2.9
266.14090	5.4
267.11292	5.7
267.14465	3.6
268.11972	1.1
268.15860	0.8
269.12891	2.0
274.10809	1.7
275.11792	1.6
276.12662	0.7
277.09799	6.6
277.13376	3.7
278.10413	6.7
278.13461	0.8
279.11234	40.5
280.11923	7.2
280.59030	0.6
281.12778	11.2
282.13589	0.8
283.14401	1.4
285.12430	1.4
286.40326	0.7
287.13904	2.6
291.11234	10.8
292.11942	5.0
293.12772	15.7
293.15900	0.8
294.13559	4.0
295.10843	6.5
295.14435	3.9
296.11566	1.8
297.12305	6.9
298.13193	1.7
299.13989	2.6
305.09167	1.0
305.12634	1.2
307.10880	0.6
308.11447	0.8
309.12277	10.0
310.12915	9.0
311.13818	22.3
312.14444	2.9
313.11874	2.7
313.15497	6.2
319.10757	8.2
320.11481	2.5
321.12338	7.7
323.13962	1.8
328.13861	1.2
336.10965	1.2
336.14658	0.8
337.11737	5.5
337.15295	0.9
338.12653	2.2
339.13394	8.8
340.14090	0.7
341.15067	1.2
345.14557	2.2
351.13440	3.2
352.14102	0.8
353.14789	2.7
354.15823	0.8
355.12756	1.4
355.16760	0.7
356.13666	1.1
357.14755	0.6
365.14969	0.8
369.14441	2.9
370.15472	0.9
371.15897	1.4
374.15082	0.9
379.12830	1.7
380.13504	0.8
381.14395	1.9
383.15979	0.9
393.14496	1.3
395.16071	3.2
398.14886	1.2
399.15604	1.5
400.20123	4.2
405.14508	1.0
407.16107	1.1
409.17398	1.2
411.15527	1.4
413.17194	2.4
414.18161	0.9
416.15994	0.8
418.16492	0.6
419.16098	2.6
421.18054	0.7
422.14615	0.8
423.15674	1.3
425.17072	1.3
427.18564	1.9
431.18481	0.7
435.15332	3.1
436.16434	1.0
437.16968	5.9
438.17719	1.3
439.15039	1.7
440.15802	1.7
441.16541	3.5
447.16739	0.6
452.21503	0.7
453.16504	9.2
454.17401	4.1
455.18100	14.0
456.18689	2.3
457.19656	0.9
458.17905	0.7
459.17624	1.1
460.18906	0.9
463.14902	4.8
464.15738	2.3
465.16751	2.6
467.20108	1.9
471.17755	3.1
472.18356	1.5
473.19354	1.6
481.16006	25.9
482.16672	10.7
483.17480	9.1
484.18619	0.9
495.18137	0.8
499.17014	7.1
500.17929	2.6
513.18445	6.1
514.19556	1.7
515.20197	1.9
527.23627	0.8
571.22778	23.6
572.23291	3.9
573.24475	2.5
578.24609	0.7
584.20135	0.6
586.21869	1.2
596.25684	2.4
602.21265	1.0
603.25537	5.0
604.23352	1.9
605.27386	1.4
606.25140	0.7
617.26129	1.2
622.23859	17.1
623.25018	0.8
624.25293	1.8
636.25452	2.0
638.23920	1.0
640.25128	6.1
654.26355	16.7
656.28314	1.0
686.32776	3.2
694.29865	1.6
699.30023	0.7
712.30646	100.0
713.30725	4.8
725.27838	1.1
735.31396	0.8
743.28986	11.0
744.33313	48.9
745.33655	2.9
761.30359	3.1
775.32068	2.8
779.31244	14.4
809.35352	1.0
811.33691	5.2
833.36133	2.2
851.36212	1.2
865.38184	1.6
869.38995	3.0
901.41339	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	900.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.7
65.73839	0.4
66.82357	0.4
67.05493	13.7
68.78099	0.5
69.03403	1.9
69.07063	7.1
71.01354	0.5
71.04977	1.8
71.08622	18.5
73.02898	1.7
78.96640	0.5
79.05478	8.7
81.03406	57.3
81.07043	18.2
82.03717	0.4
83.04967	3.2
83.08605	18.7
83.44092	0.4
85.02895	6.1
85.06496	0.9
85.09660	0.7
85.10165	11.5
86.09691	0.4
89.06010	1.5
90.72863	0.4
91.03942	3.9
91.05469	10.3
93.07029	6.2
95.04953	17.7
95.08593	18.2
96.08900	0.5
97.02872	4.5
97.06506	1.2
97.10152	5.4
99.04458	0.5
99.08092	0.5
99.11738	0.9
103.07570	0.9
105.07024	8.4
107.04939	4.8
107.08597	3.3
109.02856	0.7
109.06514	2.3
109.10146	8.2
111.04439	1.6
111.08072	4.1
111.11709	1.0
115.05449	0.7
116.06105	0.4
117.06973	0.9
119.04956	0.8
119.08568	8.3
121.06499	2.7
121.10128	4.9
123.04436	1.1
123.08060	1.1
123.11691	3.5
125.09611	1.2
125.13181	0.6
127.03917	1.7
128.06192	0.8
129.06976	5.5
131.08554	5.8
131.09464	0.7
133.06474	2.9
133.10106	2.5
135.08017	0.5
135.11684	1.0
136.06102	0.5
136.78705	0.4
137.05962	0.4
137.09595	1.0
137.13222	1.3
142.07759	1.6
143.08521	0.6
145.04955	2.4
145.10109	1.6
147.04419	0.8
147.08067	2.2
147.11662	5.6
149.09610	4.1
151.14783	0.5
154.42215	0.4
157.10109	7.5
160.09734	0.6
161.09636	0.6
163.06003	3.1
163.11153	1.6
165.12746	2.1
169.10170	0.6
171.11670	0.5
173.09653	0.5
175.11174	7.3
185.13208	0.9
191.49390	0.4
193.12212	25.2
205.12236	0.7
207.13861	0.5
211.13264	1.6
223.13268	0.5
227.12814	0.5
235.13269	1.6
239.23636	2.4
249.14812	1.5
257.24753	2.0
259.13333	1.4
267.15875	100.0
268.16281	2.7
273.14877	1.0
283.15405	1.0
284.15778	0.6
285.16913	0.6
286.18152	0.5
301.13947	1.9
302.16818	0.9
303.17126	0.7
309.16904	2.7
313.27319	97.9
314.27658	5.0
319.15399	0.7
333.16995	0.7
335.25632	0.6
342.60349	0.4
375.45816	0.4
386.23209	0.5
393.19531	0.5
505.38821	80.2
506.39090	4.2
523.39807	3.9
539.39056	0.4
540.39478	0.6
547.39899	6.1
565.40997	0.9
571.40100	0.4
589.40802	1.1
601.40955	2.8
613.40820	1.5
631.42035	2.9
649.42670	1.5
650.91034	0.6
667.44440	0.5
738.49438	0.9
900.53625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.3
67.05494	28.9
69.03412	0.9
69.07059	7.3
69.58507	2.1
70.06566	0.4
71.04981	1.3
71.08609	0.8
71.72708	0.2
73.02893	0.8
73.06549	0.7
78.04669	0.2
78.24842	0.2
79.05479	31.7
80.05811	0.5
81.03416	3.5
81.07042	27.7
82.07388	0.5
83.04965	4.9
83.08145	0.4
83.08602	4.3
85.02416	0.4
85.02887	3.3
85.06523	1.5
91.03954	1.7
91.05463	23.2
91.97003	0.2
92.05778	0.4
93.07027	34.8
93.74933	0.2
94.07360	0.5
95.04953	8.3
95.08588	19.7
96.08931	0.3
97.02885	1.5
97.06495	2.1
97.10155	2.3
98.21217	1.0
99.08072	0.5
101.05985	0.3
103.05470	0.5
105.04494	0.5
105.07014	16.4
106.07338	0.3
107.04943	2.1
107.08577	12.7
108.08860	0.3
109.06506	2.9
109.10134	7.0
110.68748	0.2
111.08082	1.0
111.11660	0.3
113.09599	0.3
114.09093	0.3
115.05416	0.3
117.07001	4.6
119.08564	12.3
121.06493	0.7
121.10125	7.7
121.10933	0.2
123.08059	2.6
123.11684	1.8
125.09595	0.4
127.03878	0.6
127.07555	0.4
128.06200	1.0
129.06979	5.7
130.08678	0.3
131.08556	4.0
133.06490	0.2
133.10109	6.5
135.11668	4.2
137.09628	0.3
137.13225	0.5
139.11223	0.2
141.06970	0.3
143.08531	3.3
145.04961	0.6
145.06509	0.3
145.10095	5.3
147.08012	0.9
147.11659	14.4
148.11983	0.3
149.09576	0.4
149.13223	2.1
151.11124	0.4
156.09358	0.3
157.10121	0.4
159.11650	2.3
160.11176	0.3
161.09590	1.4
161.13231	5.4
163.05991	0.6
163.11160	0.6
163.14786	1.0
169.10103	0.4
171.11658	8.4
172.05267	0.3
172.12033	0.3
173.13242	1.4
175.14816	0.4
187.11226	0.3
187.14828	0.7
189.12695	2.6
193.12181	0.3
201.16273	0.2
207.13777	6.8
225.14841	0.6
243.21016	1.0
247.04575	0.3
258.08774	0.3
259.20462	0.5
261.22150	3.5
267.15869	0.8
272.19986	0.9
279.15753	1.6
281.17432	28.9
282.17786	0.7
285.16962	0.6
295.18381	0.3
301.16440	0.4
302.16678	0.5
313.27444	1.8
314.27582	0.6
317.24741	0.8
333.24030	0.4
335.25745	33.5
336.25977	1.3
372.25827	0.3
386.26639	1.6
404.27832	0.8
449.34064	0.8
467.35645	0.3
478.31393	0.6
505.38400	0.3
523.39026	1.2
541.38806	100.0
542.39069	5.8
559.40137	2.1
635.74371	0.3
738.52472	1.1
900.57819	1.2
906.00323	0.3
921.05133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.4
67.05492	5.7
69.03418	12.2
69.07050	3.3
70.06565	1.2
70.07504	0.3
70.41117	1.5
71.01336	2.5
71.04979	67.1
72.08125	0.5
73.02903	8.6
73.06532	0.5
75.04475	5.0
79.05474	5.0
81.03404	5.2
81.07037	9.6
83.04964	25.8
83.08615	1.8
84.08121	0.6
85.02888	100.0
85.06514	1.9
86.03242	0.4
86.06074	0.5
86.09703	0.7
87.04456	3.2
89.06033	0.5
91.05455	5.2
93.06487	0.3
93.07024	7.9
95.04949	6.0
95.08587	11.8
97.02873	12.8
97.06515	3.1
97.10132	1.9
99.04437	5.6
99.08077	3.0
101.06001	1.7
103.03916	1.1
103.05466	0.8
103.16000	0.4
105.07010	6.1
107.04951	1.5
107.08572	19.0
109.02849	2.0
109.06507	2.5
109.10135	8.1
111.04421	26.2
111.08068	1.1
113.02347	0.8
113.05993	2.3
114.09145	0.9
115.03909	9.6
115.05394	0.4
117.05472	2.0
117.06996	1.5
119.04940	0.8
119.08559	7.1
121.06474	2.8
121.10119	11.2
123.04406	1.5
123.08060	1.5
123.11699	4.4
125.05987	1.4
125.08684	0.5
125.09612	9.5
127.03880	4.2
127.07513	0.8
127.11187	1.4
129.05453	35.7
130.08620	0.7
131.04948	0.8
131.08527	3.1
133.04945	2.2
133.06490	0.7
133.10104	5.6
135.04416	0.8
135.08035	3.4
135.11674	6.8
137.05966	2.6
137.09576	2.4
137.13228	2.5
139.03865	2.4
139.11128	1.2
141.05432	1.0
143.08528	1.5
143.10649	8.1
145.04929	1.7
145.10095	6.9
147.04492	2.1
147.06502	12.5
147.07954	1.2
147.11665	4.7
149.05951	1.6
149.09576	8.3
149.13223	3.0
151.03923	0.8
151.07552	0.8
151.11165	1.4
153.05426	4.5
153.12723	0.5
155.08543	0.5
157.04947	2.8
157.10081	2.3
159.06540	0.9
159.11659	4.9
161.05971	0.8
161.09599	1.3
161.13223	3.2
163.03891	1.4
163.06007	1.6
163.11191	1.3
163.14810	1.4
165.05455	1.1
165.07651	0.7
165.09045	0.7
167.06998	0.8
167.10631	0.8
169.04970	0.6
169.10124	0.9
171.06462	3.8
171.11644	2.1
173.09563	0.6
173.13255	1.4
175.03966	0.4
175.05989	0.5
175.07439	0.4
175.11206	0.8
175.14807	2.1
177.05432	1.7
177.09067	0.4
177.12692	0.6
179.07065	1.1
179.14221	0.6
181.04971	0.5
183.06544	1.3
183.11526	0.7
185.13269	1.4
187.05988	0.6
187.11140	0.8
187.14726	2.4
189.07523	0.6
189.12657	0.6
189.16353	3.5
191.10603	0.5
191.14264	0.5
191.17903	14.1
193.08606	1.0
193.12265	1.1
195.06514	1.3
199.05894	0.6
199.14740	1.8
201.07570	1.6
201.12674	0.7
201.16335	2.8
203.14323	0.8
203.17891	2.7
205.15808	0.7
207.06487	1.1
207.17400	0.6
209.13405	0.5
209.15324	0.5
211.14905	0.6
213.07574	1.2
213.16365	1.5
215.14342	0.9
215.17947	1.6
217.15849	3.6
217.19492	1.5
219.13838	0.8
219.17361	1.0
221.08063	0.5
225.07521	7.5
225.16267	0.6
227.17909	0.5
229.15900	0.8
231.08633	0.7
231.17427	3.7
233.15286	1.7
233.18906	0.6
235.16788	1.8
239.09091	13.3
239.18037	0.5
241.19516	0.7
243.08546	5.5
243.17471	0.6
243.21158	0.8
249.18498	2.2
253.19534	0.5
255.20984	1.1
257.10129	5.0
257.22659	1.5
261.09641	4.6
261.18427	0.6
267.15933	1.5
275.11221	5.3
279.10718	7.4
283.20706	0.4
285.22076	0.6
293.12207	4.8
297.21970	0.4
299.23697	0.6
341.28412	1.4
351.30408	0.9
353.28464	0.5
369.31406	1.4
398.13901	0.5
403.33734	0.5
421.34628	13.2
439.35657	47.6
440.35953	1.3
457.36700	49.7
458.36945	1.5
475.37704	0.8
489.35690	0.9
491.26215	0.6
539.26599	0.6
557.27203	1.1
571.39380	1.0
575.28241	0.5
589.40894	14.1
590.41113	0.5
616.28192	0.5
617.28741	1.1
635.30060	0.5
717.44885	1.1
735.46594	23.8
736.46417	0.7
766.64929	0.4
863.50916	1.2
881.51740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.6
67.05495	4.1
69.03030	0.3
69.03418	11.0
69.07056	2.2
71.01341	2.3
71.04980	65.4
72.05319	0.4
73.02905	8.0
73.06548	0.8
75.04468	5.0
79.05468	3.4
79.05904	0.2
81.03400	2.1
81.07042	7.0
81.07526	0.3
83.04966	26.7
83.08600	1.8
84.05335	0.2
85.02890	100.0
85.06522	2.1
86.03220	0.7
86.06061	0.4
87.04456	2.8
89.06052	0.4
91.05457	3.5
93.07030	5.2
95.04951	5.1
95.08591	9.3
97.02874	12.6
97.06517	1.7
97.10139	1.8
98.20592	0.4
99.04436	5.0
99.08078	2.2
101.06002	1.7
103.03936	1.2
103.05447	0.3
105.07018	4.4
107.04959	1.1
107.08576	15.8
108.08904	0.2
109.02863	1.4
109.06503	1.3
109.10136	6.6
109.10853	0.4
111.04424	25.2
111.08083	0.5
111.11722	0.2
113.02361	0.4
113.05988	2.9
115.03915	9.4
117.05485	2.2
117.07019	0.6
119.04966	0.2
119.08566	4.7
121.06494	2.0
121.10127	9.1
122.10504	0.2
123.03609	0.2
123.04430	1.1
123.08041	1.1
123.11688	3.4
125.05983	1.5
125.09609	10.1
127.03903	3.2
127.07534	1.2
127.11179	1.4
129.05457	33.0
130.05779	0.3
131.08531	2.1
133.04951	1.8
133.06487	0.6
133.10115	4.6
133.11113	0.3
135.04419	0.7
135.08038	4.0
135.11674	6.8
137.05928	1.0
137.09573	1.9
137.13203	2.4
139.03882	2.4
139.07596	0.2
139.11143	0.7
139.75694	0.2
140.36055	0.2
141.05463	0.6
141.12665	0.3
142.07733	0.2
143.03415	0.4
143.07002	0.3
143.08577	0.7
143.10651	15.9
144.09361	0.2
144.10985	0.2
145.02740	0.3
145.04897	1.2
145.10092	4.6
147.06497	14.0
147.07951	0.6
147.11655	3.8
149.05943	0.9
149.09590	6.4
149.10779	0.3
149.13245	2.7
151.03944	0.5
151.07536	0.7
151.11191	1.0
151.14774	0.4
153.05455	4.3
155.07033	0.3
157.04959	2.7
157.10121	1.7
159.06535	1.5
159.07901	0.3
159.11674	3.8
161.04294	0.3
161.05994	0.3
161.09566	1.5
161.13234	2.8
163.03935	0.3
163.06010	1.5
163.11171	0.9
163.14787	1.5
163.15965	0.2
165.05469	0.7
165.07576	0.6
165.12856	0.4
167.06984	0.5
167.10663	0.6
167.14336	0.3
169.04955	0.6
169.10153	0.4
171.06511	3.1
171.11659	1.2
173.13193	2.0
174.10381	0.2
175.06020	0.3
175.07494	0.3
175.11208	0.6
175.14763	2.1
175.15955	0.2
177.05457	0.7
177.12773	0.5
177.16377	0.9
179.07057	0.8
179.14256	0.4
181.04936	0.4
183.06544	1.2
183.11537	0.4
184.12405	0.2
185.13278	1.0
187.05981	0.5
187.11191	0.2
187.14784	2.4
187.16052	0.2
189.07544	0.6
189.12709	0.4
189.16388	2.7
191.14337	1.0
191.17914	12.1
193.08586	0.7
193.15755	0.4
195.06491	0.9
197.08134	0.5
197.13199	0.4
199.06017	0.6
199.14827	1.3
201.07547	1.7
201.12709	0.2
201.16374	3.0
203.14357	0.2
203.17941	2.6
205.15843	0.6
205.19403	0.3
207.06529	0.4
207.17465	0.4
207.70804	0.2
209.13315	0.2
209.15257	0.3
211.09708	0.4
211.14780	0.4
213.07463	1.2
213.16342	1.4
215.14360	0.4
215.17923	1.4
217.10674	0.3
217.15852	3.2
217.19325	1.3
219.13849	0.4
219.17401	0.4
219.21161	0.3
221.08124	0.2
221.15300	0.2
225.05342	0.5
225.07532	7.0
225.09654	0.3
225.16339	0.4
227.17964	0.4
229.15935	0.4
229.19440	0.4
230.58675	0.2
231.08722	0.8
231.17444	3.2
233.15393	1.3
233.18951	0.6
235.16968	1.3
239.09106	12.8
239.17955	0.3
240.09322	0.2
241.19550	0.4
243.08601	6.4
243.10922	0.4
243.17445	0.2
243.21085	0.3
245.18915	0.4
249.18541	1.3
252.77002	0.2
253.19493	0.3
255.21107	0.4
257.10153	5.6
257.12778	0.4
257.22589	1.3
261.09644	4.8
261.12198	0.3
261.18530	0.4
267.15765	0.3
269.22421	0.4
273.22064	0.3
275.11218	5.1
279.10687	6.6
281.22614	0.3
293.12241	4.7
297.25558	0.3
299.23694	0.4
315.26743	0.3
335.27435	0.4
341.28342	0.8
351.26437	0.3
351.30472	0.7
353.28378	0.7
369.31363	1.6
371.13538	0.3
389.14612	0.3
403.33463	0.7
421.34613	10.7
422.35034	0.3
439.35666	42.5
440.35922	1.8
457.36710	50.2
458.37079	2.2
459.27463	0.3
475.37979	0.5
477.28543	0.4
531.37231	0.2
549.39240	0.5
567.39575	0.3
571.39764	0.7
589.40887	15.0
590.41150	0.9
637.47894	0.2
717.44965	0.6
735.46649	19.2
736.46960	1.3
742.58081	0.2
863.51001	1.4
881.51923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.8
67.05165	0.4
67.05496	4.9
69.03415	11.0
69.07062	3.0
71.01334	2.8
71.04978	69.8
72.05309	0.4
73.02902	9.2
73.06548	0.6
75.04466	4.9
79.05475	4.8
81.03419	2.0
81.07042	7.4
83.04964	28.0
83.08602	1.9
85.02888	100.0
85.06534	2.2
86.03199	0.6
86.06046	0.6
87.04446	3.4
89.06010	0.4
91.05457	4.3
93.07023	6.1
95.04945	6.1
95.08587	11.4
97.02874	13.8
97.06507	2.0
97.10161	1.7
98.21485	0.8
99.04440	4.9
99.08076	2.9
101.05986	1.6
103.03926	1.0
105.07012	5.9
107.04942	1.1
107.08570	20.1
108.08871	0.3
109.02843	1.0
109.06493	2.0
109.10134	7.8
111.04420	26.6
111.08055	0.7
111.11721	0.4
113.02356	0.8
113.05986	3.2
115.03906	10.0
117.05470	1.8
117.06959	0.7
119.08557	5.8
119.09386	0.5
121.06487	2.5
121.10123	10.4
123.04422	1.2
123.08026	0.9
123.11682	3.6
125.05956	1.3
125.09605	10.0
127.03883	3.2
127.07534	0.9
127.11160	1.5
129.05452	35.6
131.08528	2.2
133.04910	1.7
133.06418	0.5
133.10100	5.5
133.11119	0.3
135.04382	0.7
135.08044	4.0
135.11667	6.3
137.05936	0.9
137.09599	2.1
137.13228	2.5
139.03880	2.1
139.11188	0.7
141.05467	0.7
143.03365	0.3
143.08591	0.7
143.10648	10.9
145.04933	1.5
145.06360	0.2
145.10101	5.1
147.06493	13.9
147.07970	0.9
147.11646	4.0
149.05988	1.1
149.09586	11.6
149.13216	3.1
151.03952	0.5
151.07561	0.8
151.11168	1.1
151.14784	0.5
153.05435	4.6
157.04935	3.1
157.10083	1.7
158.10818	0.4
159.06517	1.7
159.07788	0.4
159.11653	4.5
161.05937	0.4
161.09593	1.2
161.13222	2.9
163.06001	1.6
163.11205	1.2
163.14798	1.9
165.05470	0.5
165.07607	0.7
165.09021	0.3
165.12672	0.3
167.10622	0.4
167.14281	0.3
169.04965	0.8
171.06506	3.5
171.11618	1.9
173.13217	1.8
175.06099	0.3
175.07465	0.5
175.11124	0.6
175.14818	1.9
177.12746	0.3
177.16364	0.6
179.07057	0.8
179.14314	0.6
181.05011	0.3
183.06548	1.3
183.11659	0.6
185.13208	1.2
187.05959	0.5
187.11206	0.3
187.14758	2.8
189.07477	0.5
189.12733	0.7
189.16338	2.9
191.14281	0.8
191.17908	12.8
193.08606	1.0
195.06540	1.2
197.08083	0.3
197.13268	0.5
199.05975	0.4
199.14792	1.5
201.07570	1.8
201.12642	0.3
201.16335	2.9
203.17902	2.7
205.15883	0.8
205.19547	0.6
207.06442	0.5
207.17462	0.7
207.21043	0.4
209.15326	0.5
211.09573	0.4
211.14830	1.0
213.07541	1.6
213.16339	1.2
215.14355	0.6
215.17841	1.6
217.15842	3.5
217.19394	2.1
219.13832	0.6
219.17447	0.6
220.53709	0.3
221.08109	0.4
225.07555	7.4
225.09688	0.5
225.16351	0.6
227.17960	0.6
229.15884	0.7
229.19504	0.6
229.75053	0.3
231.08644	0.8
231.17363	3.3
233.15317	1.4
233.18918	0.4
235.16904	1.4
239.09096	14.4
239.17763	0.4
241.19437	0.7
243.08603	6.7
243.21210	0.4
245.18979	0.4
249.18507	1.7
253.19505	0.3
255.21120	0.4
257.10153	6.0
257.22559	1.1
259.20584	0.4
261.09644	4.5
261.18439	0.6
275.11188	5.4
275.19989	0.4
279.10709	6.7
285.22073	0.5
293.12241	4.5
299.23734	0.3
311.23743	0.3
315.26776	0.6
335.26996	0.5
341.28403	0.8
351.30362	0.8
353.12622	0.3
353.28262	0.6
369.31500	1.3
371.13290	0.6
403.33398	0.8
421.34570	13.0
439.35641	44.3
440.35913	1.6
457.36700	51.3
458.37000	1.5
458.97443	0.3
474.92801	0.3
475.37579	0.4
504.45877	0.3
540.13086	0.3
567.39777	0.5
571.39539	0.8
585.41077	0.4
589.40930	15.3
590.40625	0.5
717.45398	1.0
735.46637	16.2
736.46747	0.6
855.79254	0.3
863.51526	2.7
881.51788	0.8
919.09650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.6
67.05489	3.5
69.03421	11.3
69.07053	2.4
69.44352	1.6
69.44778	3.1
71.01357	2.5
71.04981	65.7
73.02901	7.9
73.06540	0.8
75.04461	4.6
79.05492	3.1
81.03403	1.7
81.07047	7.1
83.04969	24.3
83.08607	2.5
85.02891	100.0
85.06526	1.7
87.04449	2.9
90.01246	0.4
91.05452	3.0
93.07029	4.5
95.04954	6.4
95.08590	9.9
97.02875	12.7
97.06483	2.0
97.10160	2.5
99.04440	4.5
99.08083	2.7
101.05998	1.6
103.03931	1.3
105.07008	4.1
107.04929	0.9
107.08575	14.9
109.02852	1.4
109.06520	1.7
109.10134	7.1
111.04426	26.4
111.08085	0.5
113.05984	3.2
115.03922	9.8
115.04685	0.9
117.05482	1.8
118.65392	0.4
119.08562	5.6
121.06509	1.5
121.10127	8.7
123.04415	1.0
123.08023	0.7
123.11713	3.9
125.05981	1.6
125.09612	11.3
127.03884	2.7
127.07529	0.8
127.11205	1.2
129.05457	38.2
131.08585	2.1
133.04961	2.2
133.06459	0.6
133.10112	3.5
135.04411	0.8
135.08018	3.5
135.11671	6.0
137.05911	0.4
137.09637	1.7
137.13242	2.5
139.03874	3.2
139.11200	0.5
141.05388	1.0
143.03404	0.6
143.08546	0.6
143.10649	18.4
145.04955	1.4
145.10124	4.1
146.65770	0.4
147.06505	15.1
147.11641	3.6
149.05975	0.6
149.09581	6.7
149.10654	0.6
149.13240	3.4
151.03905	0.7
151.07542	1.0
151.11194	0.9
153.05447	4.7
157.04927	3.1
157.10155	1.9
159.06503	1.8
159.11676	3.5
161.05969	0.6
161.09624	0.7
161.13261	2.4
163.05992	1.5
163.11134	1.2
163.14841	1.3
165.05493	0.5
165.07573	0.6
167.10635	0.5
169.05002	0.6
171.06517	3.5
171.11655	1.0
173.09619	0.7
173.13281	1.4
175.07399	0.6
175.11208	0.6
175.14815	1.8
177.16357	0.7
179.07019	1.1
183.06570	1.2
183.11685	0.7
185.13239	1.0
187.14748	2.7
189.07578	0.5
189.16373	2.7
191.14436	0.6
191.17918	12.5
195.06584	0.8
199.05951	0.7
199.14828	1.0
201.07587	1.9
201.16376	2.8
203.14371	0.6
203.17906	3.6
207.17421	0.6
209.15253	0.6
211.14896	0.6
213.07561	1.3
213.16322	1.5
215.17949	1.9
217.10760	0.6
217.15883	2.5
217.19524	1.2
219.13664	0.7
219.17433	0.6
221.08151	0.9
225.07536	9.5
229.15871	0.6
231.08586	0.6
231.17438	3.5
233.15428	2.1
235.16917	1.3
239.09111	13.8
243.08624	7.5
243.21161	0.7
245.18948	0.6
249.18530	1.6
253.19339	0.5
255.20967	0.7
257.10181	5.9
257.22601	1.4
259.20468	0.7
261.09698	4.9
261.18451	0.8
269.22510	0.5
274.84937	0.5
275.11224	6.1
279.10699	8.8
285.22183	0.7
293.12277	5.6
341.28326	1.1
351.30453	1.1
353.28351	0.6
369.31476	1.3
403.33612	0.9
421.34625	12.1
439.35669	51.5
440.35666	0.8
457.36719	60.4
458.36923	1.5
462.16086	0.4
475.38062	0.5
567.40460	0.5
571.39691	1.0
589.40875	18.3
735.46667	26.0
736.47101	0.7
863.51031	1.8
881.51996	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	899.462
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.5
65.31486	0.7
67.05492	24.7
67.81453	0.7
68.99767	1.5
69.03418	21.0
69.07056	25.1
70.06580	1.7
71.01357	1.3
71.04981	11.2
71.74654	0.7
71.79705	1.0
73.02909	6.6
75.04450	1.8
77.03894	0.9
79.05479	14.9
81.03404	15.9
81.07040	39.5
83.01325	0.7
83.04956	8.5
83.08604	6.2
85.02890	53.0
85.06516	2.9
85.95803	0.7
86.03220	2.4
87.00812	12.7
87.04472	1.3
91.03937	4.0
91.05464	19.0
93.07027	30.3
95.04951	6.9
95.08591	38.5
97.02876	25.4
97.03512	0.9
97.06520	5.4
97.10157	10.0
99.04437	6.3
99.08073	6.5
103.03928	0.7
103.05447	1.3
105.01846	12.9
105.06309	1.5
105.07014	32.9
107.04947	2.6
107.08572	46.0
109.02847	11.4
109.06506	7.2
109.10137	56.0
111.04418	4.0
111.08049	7.6
113.05973	1.2
115.03910	3.8
115.05440	0.9
117.01777	1.0
117.05482	0.9
117.06987	7.3
117.92595	0.7
119.05005	0.7
119.08563	33.0
121.06462	5.8
121.10123	31.1
122.10439	0.9
123.04395	1.5
123.08012	3.8
123.11679	19.7
125.05946	1.2
125.09605	17.8
127.03894	25.3
127.04845	1.4
127.07558	0.9
127.11178	2.2
128.06227	1.4
129.05486	3.9
129.06955	4.4
131.08546	19.2
133.06433	1.9
133.10109	28.9
134.10483	0.9
135.08038	5.4
135.11667	15.7
135.12625	1.4
137.05995	1.1
137.09625	3.8
137.13225	2.8
139.07512	1.4
139.11163	2.5
141.05510	0.7
141.06937	1.5
142.07758	1.9
143.08549	10.5
143.10638	5.7
144.09286	1.0
145.04938	11.5
145.06166	0.9
145.06548	1.0
145.10106	28.8
147.04350	1.4
147.08009	3.8
147.11664	21.1
149.05963	1.0
149.09595	9.3
149.13217	14.4
151.03911	1.0
151.07504	2.0
151.11139	2.0
151.14877	0.9
153.09116	1.4
153.12703	1.0
155.08508	3.5
156.09354	1.4
157.10083	13.0
158.10921	1.0
159.02888	4.1
159.08060	2.8
159.11664	24.1
159.12924	1.5
160.12082	1.1
161.09621	3.1
161.13232	19.8
161.14503	1.3
163.06067	1.1
163.07547	2.9
163.11145	4.9
163.14760	5.8
165.09102	1.9
165.12764	1.3
167.10704	1.8
169.10115	5.1
170.10806	0.9
171.08075	1.0
171.11665	11.9
173.04402	0.9
173.09619	2.9
173.13223	16.9
175.11203	4.0
175.14818	10.0
177.05417	1.4
177.09094	2.9
177.12735	3.9
177.16350	5.1
179.10591	2.0
179.14284	2.0
181.10146	2.0
182.10886	0.8
183.11671	6.4
185.09633	1.0
185.13199	11.1
187.11211	2.5
187.14778	14.0
189.09062	1.6
189.12697	3.0
189.16382	7.3
191.10683	2.5
191.14307	1.9
191.17929	3.3
193.10207	0.9
193.12204	1.6
195.11690	2.8
195.13741	1.3
196.12532	1.1
197.13216	6.1
199.11198	1.0
199.14780	10.7
201.09212	1.0
201.12717	2.8
201.16333	12.3
203.10675	2.1
203.14293	2.7
203.17961	2.6
205.12151	1.1
205.15868	4.4
207.11885	1.0
207.13831	1.1
207.17380	2.2
209.11540	0.9
209.13365	3.6
211.14767	6.8
213.03914	1.0
213.12764	2.0
213.16304	6.8
215.14316	3.0
215.17917	2.5
217.12250	1.4
217.15900	3.0
217.19431	1.5
219.13834	1.7
219.17325	1.6
221.13220	1.2
221.15213	1.1
223.14868	2.0
225.16380	3.0
227.14398	1.4
227.17859	4.6
229.15871	2.4
229.19456	0.7
231.04965	7.7
231.13791	2.9
231.17432	1.6
233.15396	1.5
235.14771	1.3
235.16975	1.0
237.16359	2.5
239.09254	1.2
239.14191	1.1
239.17979	2.4
241.15887	1.2
241.19423	6.0
243.17397	2.2
243.21176	1.1
245.15346	2.9
245.19055	1.4
247.16885	4.1
249.06081	3.8
251.17955	2.8
253.07076	1.1
253.19485	4.2
255.17477	1.4
255.21083	2.1
257.15436	1.2
257.18994	1.9
259.20633	5.1
265.19452	1.0
267.21017	1.8
269.15213	1.1
269.19141	1.3
271.16873	1.1
271.20602	2.6
273.18594	4.0
275.20160	1.5
279.10773	0.8
279.21088	1.7
281.22665	3.7
283.20612	1.9
283.24313	1.0
285.18216	0.9
291.21140	1.6
293.22525	2.5
295.20563	1.4
297.18738	1.1
297.22150	2.4
299.23758	2.9
301.21698	1.2
305.22275	1.0
307.24026	0.9
309.22272	3.5
311.23575	6.3
313.21652	2.0
313.25159	1.5
315.19684	1.7
315.23172	1.9
321.25656	1.3
325.25302	1.7
327.23096	5.5
329.24768	3.2
337.25323	1.4
339.26828	1.0
347.26013	1.2
353.24527	1.7
355.22366	0.8
355.26337	1.7
367.26099	7.7
367.29730	1.2
377.28207	2.1
379.26306	1.3
385.27353	3.8
389.31540	0.8
395.29276	4.7
403.28833	0.9
405.31149	3.7
407.27844	3.0
407.33026	7.9
411.32538	1.4
415.28506	0.9
417.31473	4.3
423.32486	10.6
425.34088	13.8
433.29572	0.8
435.32468	15.4
437.34241	2.1
438.34540	1.7
439.34836	1.4
441.33737	10.0
453.33582	35.8
455.35037	2.9
456.35547	1.8
457.35867	1.5
461.29089	1.1
464.20792	0.9
471.34668	48.7
472.34750	1.4
473.36533	1.0
474.36349	1.5
489.35690	100.0
490.36060	2.6
539.33655	0.9
557.34534	1.7
575.35626	2.0
615.38477	0.9
621.40948	1.3
633.39948	21.4
651.41040	2.0
719.39832	1.4
881.45233	6.0
899.49060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.9
67.05495	27.7
69.03411	1.5
69.07056	6.1
69.62425	0.8
69.62848	1.9
71.04982	13.5
71.05376	0.7
71.08620	17.8
73.02895	2.1
79.05481	6.0
81.03409	0.9
81.07043	51.3
82.07381	0.7
83.04967	2.3
83.08604	9.6
85.02077	0.3
85.02891	7.6
85.06525	6.1
85.10168	9.9
87.04456	0.4
91.03946	4.7
91.04494	0.5
91.05467	10.9
93.07030	6.4
95.04958	1.0
95.08595	15.6
97.02874	4.2
97.06511	1.8
97.10156	3.5
99.04435	0.6
99.08080	0.8
99.11716	0.6
103.03955	0.4
105.07006	4.2
107.08582	5.2
109.06521	0.7
109.10145	9.5
111.08081	0.9
111.11728	0.8
113.06001	0.5
117.07001	1.3
119.08586	0.5
121.09375	0.3
121.10087	1.7
123.08093	0.6
123.11685	12.4
125.09570	0.3
125.13239	0.5
127.03917	1.4
131.08575	1.4
133.10109	9.8
135.11661	1.6
137.13234	0.9
145.04959	2.1
149.13228	2.6
151.11163	5.6
151.14807	0.6
159.11700	1.7
163.06001	1.9
165.16307	0.3
169.12236	1.1
177.12770	1.7
180.08492	0.3
183.13783	2.4
187.13269	4.9
195.13820	1.4
201.14934	0.4
221.35349	0.3
239.23730	2.1
243.15906	0.4
253.18085	0.4
257.17416	1.5
269.17410	3.8
283.19189	0.4
285.16873	0.4
301.20062	13.3
313.27313	14.6
341.26999	0.3
445.24072	1.1
481.38837	61.5
482.38959	2.1
495.40466	2.1
507.40427	5.7
509.42206	0.9
539.43018	100.0
540.43304	3.6
555.25977	0.4
610.73950	0.3
625.43475	0.5
683.46692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	5.5
69.03415	11.2
69.07052	6.8
69.94032	0.3
70.17715	1.5
71.01334	2.1
71.04977	58.7
72.49070	0.3
73.02905	7.8
75.04465	3.9
78.53979	0.3
79.05470	3.3
81.03391	1.3
81.07043	8.8
83.04961	21.1
83.08595	1.6
85.02887	100.0
85.06516	0.4
86.03215	0.4
86.06039	0.3
87.04446	2.7
91.05463	2.9
93.07023	6.8
95.04940	3.6
95.08588	9.3
97.02871	13.0
97.06494	1.9
97.10142	1.8
98.20750	0.6
99.04436	6.5
99.08083	0.9
101.05981	1.1
103.03919	0.7
105.07018	5.5
107.04916	0.8
107.08572	11.5
109.02847	0.9
109.06474	1.1
109.10131	14.9
111.04420	14.5
111.08050	0.6
111.11659	0.4
113.02363	0.6
113.05989	1.9
115.03909	10.3
117.05457	3.1
117.06950	1.0
119.08553	7.4
121.06474	1.0
121.10122	8.0
123.04407	1.0
123.08044	1.2
123.11680	8.3
125.05981	0.8
125.09592	4.1
127.03902	2.5
127.11122	0.4
129.05449	34.2
130.05753	0.6
131.08536	2.7
133.04961	1.8
133.06433	0.8
133.10089	5.8
135.04372	0.9
135.07985	0.9
135.11661	7.5
137.05896	0.4
137.09583	0.9
137.13232	3.0
139.03886	1.9
139.11121	0.4
141.05461	0.4
143.08537	1.5
143.10544	1.8
145.04929	2.7
145.10104	4.0
147.06494	12.6
147.11658	3.4
149.05940	0.5
149.09590	1.2
149.13216	3.2
151.07501	0.7
151.14824	0.6
153.05435	3.0
153.09045	0.3
155.08513	0.6
157.04916	2.2
157.10091	1.9
159.06451	1.0
159.07918	0.5
159.11655	4.6
161.09546	0.9
161.13208	2.7
163.03888	0.4
163.05972	1.4
163.07474	0.9
163.11131	0.7
163.14810	2.0
165.05382	0.6
165.07616	0.7
165.09102	0.9
165.12775	0.4
167.08434	0.5
169.04930	0.8
169.10056	1.4
171.06505	3.0
171.11624	2.2
173.09569	0.4
173.13205	3.0
175.05983	0.4
175.11110	0.5
175.14774	2.7
177.09055	0.5
177.12579	0.4
177.16360	1.5
179.06938	0.6
179.14243	0.6
179.17784	0.3
181.10045	0.4
181.12077	0.4
183.06425	0.9
183.11642	1.0
185.13216	2.1
187.11159	0.5
187.14769	3.2
189.09109	0.5
189.12711	0.5
189.16354	3.1
191.10561	0.9
191.14204	0.7
191.17921	3.7
193.19423	0.4
195.06456	0.7
197.07977	0.5
197.13153	1.0
199.05952	0.7
199.14748	1.6
201.07474	0.9
201.12692	0.4
201.16347	3.0
203.14246	0.5
203.17905	2.3
205.12221	0.6
205.15704	0.6
205.19484	0.7
207.06503	0.5
207.17310	0.4
211.14801	0.9
213.07423	1.0
213.16347	1.6
215.14366	0.7
215.17896	1.1
217.12122	0.4
217.15826	0.4
217.19495	0.6
219.13803	0.8
223.14793	0.6
225.07523	6.2
225.16335	0.6
227.17781	0.7
229.15784	0.7
229.19373	0.8
231.08559	0.4
231.13794	0.8
231.17404	0.4
233.15236	1.1
239.09102	5.7
239.17828	0.5
241.15636	0.3
241.19409	0.8
243.08577	5.3
243.20981	1.2
245.15265	1.0
247.16913	1.6
253.19420	0.7
255.20999	0.9
257.10074	2.5
259.16818	0.5
261.09683	3.8
267.21051	0.4
271.20413	0.4
275.11200	2.1
279.10727	5.5
279.20999	0.5
281.22516	0.6
283.24060	0.8
285.18387	0.6
293.12207	2.7
293.22543	0.9
295.24158	1.1
297.22067	0.4
297.25662	0.4
299.23630	0.3
301.21796	0.4
311.23459	1.0
313.21442	0.7
313.25034	1.1
315.22998	1.2
321.25708	0.6
323.27396	0.6
331.26007	0.4
337.24939	0.5
351.26746	0.7
355.25995	0.6
357.24078	0.6
369.27762	4.8
373.26962	0.9
377.31833	0.5
381.27521	0.9
385.27463	0.4
387.28558	1.4
391.28467	0.5
391.33151	0.7
395.33023	0.4
399.28793	0.6
401.31830	0.8
407.32715	0.9
409.34637	2.7
419.32953	4.6
421.34540	0.5
425.33890	0.9
437.34085	15.7
438.33954	0.9
439.35486	0.5
453.33875	0.5
455.35144	12.7
456.35391	0.5
473.36194	10.2
547.37378	0.7
565.38434	0.7
587.39490	1.8
605.40503	2.6
664.95166	0.4
717.45264	0.6
733.45081	8.7
751.46094	21.0
752.46393	0.8
878.58356	0.4
879.50946	2.6
917.96118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.7
67.05488	4.1
68.99789	0.2
69.03416	10.2
69.07055	2.1
71.01343	2.6
71.04977	70.4
71.19327	0.5
72.05323	0.5
73.02902	9.8
73.06554	0.3
73.74871	0.2
74.09719	0.2
75.04465	4.3
79.05477	3.8
81.03407	1.6
81.07040	8.3
83.01334	0.3
83.04963	25.4
83.08605	1.4
85.02887	100.0
85.06522	0.6
86.03204	0.3
86.06053	0.4
87.04449	3.3
89.06027	0.4
91.05455	3.8
93.07025	7.1
95.04017	0.2
95.04949	5.8
95.08585	8.8
97.02872	10.3
97.06511	2.1
97.10145	0.7
99.04440	4.5
99.08071	3.1
101.05995	1.2
103.03931	0.8
103.05421	0.4
105.07008	8.5
107.04925	0.6
107.08569	12.2
109.02834	1.1
109.06503	1.8
109.10133	7.8
111.04419	22.3
111.08051	1.4
113.02344	0.8
113.05984	2.5
115.03087	0.4
115.03903	7.5
117.05450	1.9
117.06959	1.2
119.04922	0.2
119.08558	7.7
121.06479	1.9
121.10120	9.5
123.04436	0.8
123.08055	1.5
123.11675	3.0
125.05984	1.6
125.09604	5.4
127.03896	2.2
127.07527	1.2
127.11162	1.8
128.06090	0.2
129.05449	30.0
130.05798	0.3
130.07816	0.3
131.07076	0.2
131.08534	4.4
133.04965	1.9
133.06488	0.5
133.10101	7.7
134.10410	0.2
135.04381	0.6
135.08023	5.2
135.11659	3.4
135.29764	0.2
137.05957	0.8
137.09566	2.6
137.13260	0.6
139.03873	1.7
139.07533	0.3
139.11154	1.2
141.05432	0.6
142.07693	0.3
143.03374	0.4
143.07016	0.2
143.08533	1.4
143.10658	1.3
144.09280	0.2
145.04852	0.9
145.10097	8.8
147.04562	0.4
147.06497	11.1
147.07944	0.6
147.11652	6.8
149.04436	0.2
149.05951	0.9
149.09581	7.6
149.13225	7.2
149.14429	0.4
151.03897	0.7
151.07529	0.6
151.11127	1.6
151.14719	0.2
153.05441	3.4
155.07092	0.2
155.08475	0.4
156.09320	0.5
157.04922	2.2
157.10086	2.8
158.10800	0.3
159.06512	1.1
159.07950	0.3
159.11667	7.3
161.05988	0.3
161.09567	1.4
161.11864	0.4
161.13222	7.8
163.06027	1.3
163.07251	0.2
163.11186	1.1
163.14743	1.1
165.05463	0.5
165.07599	0.4
165.09058	0.3
165.12746	0.4
167.10657	0.6
167.14256	0.4
168.19643	0.2
169.04951	0.7
169.10115	0.6
170.10857	0.3
171.06503	2.7
171.11656	2.3
172.12404	0.2
173.09608	0.5
173.13237	4.8
175.06000	0.3
175.07492	0.2
175.11157	0.7
175.14786	2.8
177.05421	0.3
177.12804	0.8
177.16336	3.0
179.07008	0.8
179.14244	0.4
181.04906	0.4
181.10098	0.3
183.06511	0.9
183.11647	1.2
185.08046	0.4
185.13174	1.9
187.05931	0.4
187.11137	0.4
187.14786	3.5
189.07547	0.5
189.12738	0.6
189.14627	0.3
189.16351	7.0
190.16745	0.3
191.12653	0.2
191.14305	0.8
191.17885	1.0
193.08600	0.5
193.15765	0.2
195.06509	1.0
197.08029	0.3
197.13242	0.9
199.05968	0.2
199.09648	0.6
199.14781	2.6
201.07545	1.2
201.12837	0.4
201.14616	0.4
201.16350	2.8
203.14314	0.7
203.17918	1.6
205.15840	3.3
205.19490	0.4
207.06558	0.5
207.11617	0.2
207.17407	3.1
209.13229	0.7
209.15335	0.6
211.09579	0.3
211.14815	0.8
213.07559	1.0
213.16331	2.4
215.14346	0.7
215.17891	2.7
217.07169	0.2
217.10663	1.9
217.15833	4.8
217.19505	0.7
219.17329	1.1
221.08067	0.4
221.13217	0.2
223.14824	0.4
223.16885	0.4
225.07520	5.2
225.09694	0.3
225.16324	0.8
227.17995	0.7
229.15817	0.7
229.19499	0.5
231.08624	0.4
231.17415	4.5
233.15321	2.5
233.18810	0.9
235.16895	1.4
237.16249	0.2
239.09087	7.0
239.17961	0.8
241.19510	0.6
243.08585	3.9
243.17432	0.7
243.21014	0.3
245.18907	0.4
247.16931	0.3
247.20605	0.2
249.16373	0.3
249.18454	1.2
251.17850	0.4
253.19469	0.7
255.17186	0.2
255.21021	1.0
257.10132	3.1
257.19064	0.5
259.20648	0.4
261.09622	2.7
261.18436	0.2
263.17926	0.2
267.20914	0.4
269.22632	0.3
271.20541	0.5
273.18796	0.2
273.22119	0.5
275.11203	3.1
279.10672	3.9
279.21030	0.3
281.22675	0.5
283.20618	0.3
285.22195	0.4
293.12189	2.6
293.22662	0.6
297.22330	0.5
299.20505	0.2
299.23676	0.9
307.24210	0.3
309.22342	0.2
309.25858	0.6
311.23642	0.6
313.25211	0.4
321.25662	0.5
327.26712	0.4
331.26239	0.5
333.25821	0.5
337.25247	0.3
339.26801	0.9
347.27313	0.4
349.25116	0.2
349.28885	0.8
351.26761	0.6
355.29993	0.2
357.27826	0.6
361.29224	0.2
367.30029	1.0
369.28259	0.2
371.60767	0.2
377.28397	0.2
379.29868	3.7
380.29880	0.2
385.30911	0.8
389.32001	0.2
391.33994	0.2
395.32971	0.3
397.30930	6.8
401.31775	0.4
407.32916	2.1
409.34634	0.2
417.31204	0.2
418.75430	0.2
419.33032	5.9
420.33511	0.3
425.34024	6.1
435.32712	0.3
437.34088	18.5
438.34509	0.7
439.35587	0.3
449.34485	0.2
455.35135	36.3
456.35605	1.3
473.36179	39.6
474.36719	0.9
547.38019	0.4
565.38721	1.2
569.38757	0.3
583.40015	1.1
587.39154	1.2
588.84448	0.2
601.41010	2.2
605.40350	13.5
606.40680	0.5
619.41913	18.2
620.41699	0.5
621.15869	0.2
733.45050	1.0
751.46094	8.4
752.46021	0.3
879.50311	0.8
897.52100	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.9
65.17355	0.3
67.01920	0.4
67.05493	8.3
69.03038	0.5
69.03418	14.9
69.07050	5.6
71.01344	2.1
71.04977	52.3
73.02901	10.3
75.04465	4.3
76.82165	0.3
79.05470	4.8
79.91528	0.4
81.03400	2.5
81.07041	15.4
82.67557	0.3
83.04962	58.4
83.08598	3.3
84.05275	0.6
85.02887	100.0
85.06538	0.8
86.03226	0.4
86.06039	0.7
86.17706	0.3
87.04460	2.2
91.05458	4.8
91.84739	0.4
93.06555	0.2
93.07027	11.2
95.04946	8.1
95.08588	15.6
97.02871	18.7
97.06495	2.9
97.10146	1.0
99.04434	7.6
101.06013	1.8
103.03932	1.0
105.07011	8.3
107.04935	1.4
107.08567	13.7
109.02840	2.0
109.06483	2.3
109.09382	0.8
109.10133	16.1
111.04417	55.3
111.08066	1.2
111.11722	0.4
113.02340	0.9
113.05986	3.8
115.03905	13.5
117.05456	2.7
117.06985	1.4
119.08555	10.7
119.09393	0.6
121.02888	0.4
121.06477	1.9
121.09241	0.6
121.10122	13.9
123.04430	1.7
123.08055	2.8
123.11682	28.2
125.05977	2.1
125.09590	0.8
127.03891	4.1
127.11169	0.4
129.05453	32.4
129.07001	0.8
130.05695	0.4
131.08549	4.0
133.04958	1.6
133.06485	0.8
133.10104	10.3
135.04391	0.9
135.08032	1.5
135.11662	12.7
137.05986	1.4
137.09589	1.1
137.13211	3.2
137.77010	0.3
139.03897	3.2
139.07491	1.1
139.11134	0.6
141.05423	0.8
142.07715	0.4
143.03297	0.5
143.08510	2.3
144.09305	0.4
145.04930	1.8
145.10097	6.5
147.06497	11.9
147.07811	0.8
147.11656	6.9
149.05948	1.0
149.09624	1.3
149.13234	5.5
151.03864	0.6
151.07494	1.7
151.11150	0.6
151.14865	0.4
153.05424	4.6
153.08978	0.6
153.12759	0.5
155.08559	0.9
156.09331	0.6
157.04936	4.1
157.10083	2.9
158.10811	0.6
159.06532	1.1
159.08061	1.5
159.11662	6.5
161.05989	0.5
161.09583	1.4
161.13228	6.3
163.05968	1.6
163.07372	0.7
163.11134	1.4
163.14784	4.1
165.05449	0.9
165.07727	0.5
165.09018	2.1
165.12711	0.5
167.06976	0.8
169.04994	0.8
169.10091	1.5
171.06522	3.0
171.11641	2.2
173.09589	2.1
173.13225	3.8
175.07523	0.8
175.11147	1.5
175.14793	3.4
177.05423	0.4
177.09094	1.2
177.12737	1.1
177.16342	2.4
179.06961	1.0
179.10611	0.7
179.14288	0.5
181.04895	0.5
181.10104	0.4
183.06468	1.4
183.11662	1.4
185.09486	0.4
185.13206	3.1
186.13834	0.4
187.11136	1.0
187.14786	5.3
189.09041	0.5
189.12743	0.7
189.16347	4.9
191.10616	1.2
191.17914	5.4
193.08556	1.1
193.15967	0.5
195.06514	1.1
195.11719	0.5
197.08127	0.6
197.13254	1.2
199.05971	0.6
199.11125	0.5
199.14735	1.8
201.07556	1.3
201.12708	1.0
201.16331	4.2
202.12575	0.4
203.10625	0.5
203.14294	0.8
203.17923	4.3
205.12228	0.8
207.06477	0.8
207.13844	0.5
207.17447	0.5
209.13228	0.7
211.09430	0.4
211.14752	0.8
213.07576	1.3
213.12749	0.6
213.16309	1.7
215.14307	0.9
215.17828	1.7
217.12199	0.6
217.15942	0.5
217.19466	1.5
219.13751	1.1
221.07991	0.6
221.15300	1.0
221.19061	0.5
223.14778	0.5
225.07541	10.0
225.16281	0.7
227.14319	0.6
227.17834	1.4
229.15948	0.6
229.19476	0.8
231.13797	0.8
233.15253	0.9
239.09087	16.3
239.17909	0.7
241.15845	0.4
241.19449	0.7
243.08617	7.0
243.13689	0.5
243.21214	0.5
245.15353	1.3
247.16898	5.8
253.19414	0.7
255.21002	1.5
257.10114	4.5
257.18997	0.6
257.22543	0.4
259.17010	0.8
261.09680	3.3
261.18478	0.5
265.19583	0.4
267.21097	0.7
269.22525	0.7
271.07910	0.4
273.18600	0.5
275.11172	3.8
275.19891	0.5
279.10715	5.1
285.18436	0.5
293.12210	4.8
299.20102	0.5
301.21518	0.5
309.25803	0.6
313.21451	1.5
313.24890	0.7
315.23209	4.5
327.26544	0.4
353.12234	0.7
353.28442	0.4
355.26111	1.5
369.27728	1.5
371.13184	0.8
373.27246	3.7
377.32117	0.7
381.27765	0.4
387.28714	0.8
391.28439	5.0
391.33319	1.0
399.28674	0.7
409.34396	1.6
419.32816	1.4
435.32663	0.5
437.34097	17.2
438.34143	0.9
441.29617	0.8
449.33881	0.6
453.33655	1.9
455.35141	20.1
456.35370	1.1
467.35349	1.7
479.35031	0.6
483.30698	0.7
497.35632	0.7
505.30661	0.4
507.34241	1.4
509.35959	0.8
521.35651	0.5
523.31915	0.5
529.36731	2.4
547.37830	6.8
565.38763	6.4
583.39703	1.0
587.39526	3.3
601.39435	0.5
639.38098	0.4
651.66217	0.4
679.41431	1.3
693.42731	0.4
697.43085	2.0
731.42712	0.7
733.34882	0.3
733.45020	4.5
745.43890	0.7
785.44159	0.5
825.48029	2.3
843.47644	1.4
897.52081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.9
65.17355	0.3
67.01920	0.4
67.05493	8.3
69.03038	0.5
69.03418	14.9
69.07050	5.6
71.01344	2.1
71.04977	52.3
73.02901	10.3
75.04465	4.3
76.82165	0.3
79.05470	4.8
79.91528	0.4
81.03400	2.5
81.07041	15.4
82.67557	0.3
83.04962	58.4
83.08598	3.3
84.05275	0.6
85.02887	100.0
85.06538	0.8
86.03226	0.4
86.06039	0.7
86.17706	0.3
87.04460	2.2
91.05458	4.8
91.84739	0.4
93.06555	0.2
93.07027	11.2
95.04946	8.1
95.08588	15.6
97.02871	18.7
97.06495	2.9
97.10146	1.0
99.04434	7.6
101.06013	1.8
103.03932	1.0
105.07011	8.3
107.04935	1.4
107.08567	13.7
109.02840	2.0
109.06483	2.3
109.09382	0.8
109.10133	16.1
111.04417	55.3
111.08066	1.2
111.11722	0.4
113.02340	0.9
113.05986	3.8
115.03905	13.5
117.05456	2.7
117.06985	1.4
119.08555	10.7
119.09393	0.6
121.02888	0.4
121.06477	1.9
121.09241	0.6
121.10122	13.9
123.04430	1.7
123.08055	2.8
123.11682	28.2
125.05977	2.1
125.09590	0.8
127.03891	4.1
127.11169	0.4
129.05453	32.4
129.07001	0.8
130.05695	0.4
131.08549	4.0
133.04958	1.6
133.06485	0.8
133.10104	10.3
135.04391	0.9
135.08032	1.5
135.11662	12.7
137.05986	1.4
137.09589	1.1
137.13211	3.2
137.77010	0.3
139.03897	3.2
139.07491	1.1
139.11134	0.6
141.05423	0.8
142.07715	0.4
143.03297	0.5
143.08510	2.3
144.09305	0.4
145.04930	1.8
145.10097	6.5
147.06497	11.9
147.07811	0.8
147.11656	6.9
149.05948	1.0
149.09624	1.3
149.13234	5.5
151.03864	0.6
151.07494	1.7
151.11150	0.6
151.14865	0.4
153.05424	4.6
153.08978	0.6
153.12759	0.5
155.08559	0.9
156.09331	0.6
157.04936	4.1
157.10083	2.9
158.10811	0.6
159.06532	1.1
159.08061	1.5
159.11662	6.5
161.05989	0.5
161.09583	1.4
161.13228	6.3
163.05968	1.6
163.07372	0.7
163.11134	1.4
163.14784	4.1
165.05449	0.9
165.07727	0.5
165.09018	2.1
165.12711	0.5
167.06976	0.8
169.04994	0.8
169.10091	1.5
171.06522	3.0
171.11641	2.2
173.09589	2.1
173.13225	3.8
175.07523	0.8
175.11147	1.5
175.14793	3.4
177.05423	0.4
177.09094	1.2
177.12737	1.1
177.16342	2.4
179.06961	1.0
179.10611	0.7
179.14288	0.5
181.04895	0.5
181.10104	0.4
183.06468	1.4
183.11662	1.4
185.09486	0.4
185.13206	3.1
186.13834	0.4
187.11136	1.0
187.14786	5.3
189.09041	0.5
189.12743	0.7
189.16347	4.9
191.10616	1.2
191.17914	5.4
193.08556	1.1
193.15967	0.5
195.06514	1.1
195.11719	0.5
197.08127	0.6
197.13254	1.2
199.05971	0.6
199.11125	0.5
199.14735	1.8
201.07556	1.3
201.12708	1.0
201.16331	4.2
202.12575	0.4
203.10625	0.5
203.14294	0.8
203.17923	4.3
205.12228	0.8
207.06477	0.8
207.13844	0.5
207.17447	0.5
209.13228	0.7
211.09430	0.4
211.14752	0.8
213.07576	1.3
213.12749	0.6
213.16309	1.7
215.14307	0.9
215.17828	1.7
217.12199	0.6
217.15942	0.5
217.19466	1.5
219.13751	1.1
221.07991	0.6
221.15300	1.0
221.19061	0.5
223.14778	0.5
225.07541	10.0
225.16281	0.7
227.14319	0.6
227.17834	1.4
229.15948	0.6
229.19476	0.8
231.13797	0.8
233.15253	0.9
239.09087	16.3
239.17909	0.7
241.15845	0.4
241.19449	0.7
243.08617	7.0
243.13689	0.5
243.21214	0.5
245.15353	1.3
247.16898	5.8
253.19414	0.7
255.21002	1.5
257.10114	4.5
257.18997	0.6
257.22543	0.4
259.17010	0.8
261.09680	3.3
261.18478	0.5
265.19583	0.4
267.21097	0.7
269.22525	0.7
271.07910	0.4
273.18600	0.5
275.11172	3.8
275.19891	0.5
279.10715	5.1
285.18436	0.5
293.12210	4.8
299.20102	0.5
301.21518	0.5
309.25803	0.6
313.21451	1.5
313.24890	0.7
315.23209	4.5
327.26544	0.4
353.12234	0.7
353.28442	0.4
355.26111	1.5
369.27728	1.5
371.13184	0.8
373.27246	3.7
377.32117	0.7
381.27765	0.4
387.28714	0.8
391.28439	5.0
391.33319	1.0
399.28674	0.7
409.34396	1.6
419.32816	1.4
435.32663	0.5
437.34097	17.2
438.34143	0.9
441.29617	0.8
449.33881	0.6
453.33655	1.9
455.35141	20.1
456.35370	1.1
467.35349	1.7
479.35031	0.6
483.30698	0.7
497.35632	0.7
505.30661	0.4
507.34241	1.4
509.35959	0.8
521.35651	0.5
523.31915	0.5
529.36731	2.4
547.37830	6.8
565.38763	6.4
583.39703	1.0
587.39526	3.3
601.39435	0.5
639.38098	0.4
651.66217	0.4
679.41431	1.3
693.42731	0.4
697.43085	2.0
731.42712	0.7
733.34882	0.3
733.45020	4.5
745.43890	0.7
785.44159	0.5
825.48029	2.3
843.47644	1.4
897.52081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.4
67.05495	19.3
69.03422	34.8
69.07055	17.1
70.06568	2.7
71.01350	7.3
71.04597	2.3
71.04983	43.3
73.02908	58.7
75.04469	100.0
79.05490	10.1
81.03386	6.0
81.06595	1.9
81.07043	32.9
83.04495	2.4
83.04968	33.8
83.08607	6.9
85.02895	96.8
86.03206	1.5
86.09678	1.4
87.04481	8.0
91.05466	11.8
93.07030	25.5
95.04947	8.9
95.08596	44.8
97.02879	32.5
97.06501	3.0
97.10143	3.5
99.04436	19.1
101.06010	18.3
103.03941	2.1
105.07019	20.8
107.04989	1.4
107.08578	35.7
109.02866	4.6
109.06476	4.7
109.10145	59.1
111.04430	48.9
111.08076	2.1
111.11662	2.0
113.05987	1.7
114.09117	2.8
115.03917	29.2
115.05354	1.4
115.21780	1.2
117.05456	7.7
117.06989	4.5
119.04972	1.6
119.08565	27.7
121.02913	1.8
121.06465	3.4
121.10126	32.3
123.04389	2.5
123.08051	6.3
123.11688	37.6
125.05977	1.8
125.09629	2.8
127.03867	7.1
129.05466	44.4
129.06903	2.4
131.08559	9.8
133.04942	14.7
133.10103	19.9
135.04437	1.4
135.08040	5.8
135.11673	28.1
137.05951	4.3
137.09557	3.9
137.13231	15.4
139.03856	5.2
139.07494	1.2
142.07703	1.9
143.08475	7.5
145.02945	1.3
145.04988	1.6
145.10118	16.4
147.04413	2.8
147.06496	30.8
147.11688	14.2
149.05948	2.5
149.09592	2.1
149.13245	14.4
151.07507	2.8
151.14731	1.8
153.05420	2.6
153.09155	1.9
153.12589	1.3
157.04942	4.8
157.10129	7.7
159.07986	1.6
159.11670	15.3
160.09712	3.3
161.09651	2.0
161.13248	10.3
163.03937	2.6
163.05978	4.3
163.07521	5.7
163.11163	1.7
163.14822	10.3
165.09109	2.5
169.04955	2.9
169.10080	2.5
171.06506	5.3
171.11676	5.6
173.09612	1.4
173.13226	12.3
175.06056	1.4
175.11145	3.3
175.14818	9.8
177.05466	3.9
177.09090	3.2
177.16414	4.5
179.10690	2.1
181.04985	1.7
185.13249	8.2
187.11188	1.4
187.14780	16.4
189.09082	3.2
189.16380	9.6
191.10652	3.9
191.14328	1.7
191.17941	16.4
193.12160	2.7
193.19528	1.9
195.06451	2.4
197.13284	2.8
199.06000	2.7
199.14845	6.3
201.12708	1.5
201.16315	10.9
203.10629	2.7
203.14258	1.9
203.17937	11.8
205.12184	2.3
205.19476	3.6
207.13846	2.7
209.13300	1.8
211.14798	3.5
213.16309	3.9
215.17905	4.0
217.07079	1.7
217.15910	1.6
217.19539	3.6
219.13821	2.8
219.21007	2.7
221.15247	1.6
223.14821	1.6
225.07486	10.2
227.17957	3.3
229.15950	2.2
229.19447	1.8
231.13806	5.7
233.15323	5.3
235.17039	1.6
239.08984	3.5
239.17908	2.7
241.15723	1.6
241.19547	2.7
243.08617	8.5
243.20927	2.4
245.15295	8.7
247.16936	12.2
251.17914	1.6
253.19374	3.4
255.21114	4.6
259.16849	3.2
261.09674	4.7
261.18329	2.1
267.16028	1.5
267.20813	1.6
273.18436	2.5
275.19940	2.0
279.10721	4.6
285.18439	1.6
287.20007	1.6
295.24142	1.6
297.21881	1.4
299.19873	2.5
301.21582	3.9
309.25739	2.8
313.21384	3.7
313.24847	1.4
315.23282	6.8
325.21921	1.8
327.23004	2.1
327.26648	1.6
351.26651	2.3
353.24640	1.5
355.26242	2.8
367.25885	1.5
369.27863	21.4
373.27313	6.7
377.31976	8.5
381.27762	5.6
387.28693	3.4
391.28607	7.6
395.28906	1.4
395.33124	11.0
399.29352	1.4
409.34558	3.8
419.33191	6.4
431.78226	1.5
437.34128	76.8
438.34393	3.2
449.33740	1.3
453.33163	1.5
455.35159	39.8
456.35245	3.4
467.35059	1.8
473.35983	7.2
533.35559	3.6
547.37769	2.2
551.37006	1.9
569.38068	1.7
587.38892	3.7
605.39276	1.7
733.45123	29.8
734.45105	3.0
751.45123	1.9
879.49780	1.9
897.47955	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	896.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.6
67.05499	12.6
69.03423	2.0
69.07059	6.2
70.52692	1.0
71.01329	0.5
71.04990	1.7
71.08624	17.1
71.18740	0.3
73.02891	1.5
79.05479	5.9
81.03407	52.1
81.07043	16.6
81.07534	0.5
83.04972	3.3
83.08608	16.4
85.02896	4.7
85.06520	0.8
85.10172	10.6
89.06019	1.2
91.03936	3.6
91.05460	9.3
93.07028	6.1
95.04958	15.5
95.08594	16.1
97.02873	3.9
97.06516	1.3
97.10160	5.0
99.04456	0.6
99.08085	0.4
99.11727	0.8
103.03948	0.4
103.07577	1.0
105.07022	7.8
107.04958	3.2
107.08576	3.2
109.02869	0.6
109.06511	2.0
109.10140	8.0
111.04430	1.4
111.08068	5.1
111.11710	1.0
115.05421	0.8
116.91731	0.3
117.07037	1.0
119.04914	0.7
119.08571	7.1
121.06483	2.1
121.10124	4.4
123.04421	1.5
123.08046	1.5
123.11686	3.5
125.09624	1.0
127.03908	1.3
128.06259	0.3
129.06985	4.8
131.08562	5.1
133.06482	2.3
133.10103	3.6
135.08086	0.4
135.11697	1.4
137.06009	0.3
137.09619	1.0
137.13234	1.3
142.07753	1.2
145.04939	2.1
145.10120	0.9
147.04405	0.5
147.08029	2.4
147.11668	5.1
149.09593	2.7
149.13231	0.3
151.11145	0.7
157.10109	6.8
161.09622	0.4
163.05974	3.0
163.11188	1.0
163.14841	0.4
165.12721	1.3
175.11169	7.1
189.16357	0.3
191.17929	0.8
193.12221	21.8
198.79741	0.3
203.17995	0.6
211.13341	1.3
213.12645	0.3
223.13246	0.5
235.13274	0.9
237.14861	0.5
239.23735	1.5
249.14861	1.2
257.24728	1.6
259.13290	1.1
267.15875	100.0
267.69031	0.3
268.16318	1.0
273.14804	0.5
283.13568	0.3
299.14868	1.5
301.14349	1.6
309.16904	2.2
311.25766	0.6
313.27322	96.8
314.27661	1.4
319.15244	0.7
333.16934	0.7
375.17917	0.4
381.48956	0.3
382.20654	0.4
391.29059	0.3
393.19247	0.5
400.17957	0.3
439.35681	0.8
440.36127	0.7
479.37112	2.3
505.38821	82.0
506.39020	2.2
523.39703	2.2
537.41943	3.0
547.39899	4.9
565.41455	0.7
589.40802	0.5
601.40802	2.3
613.40680	1.9
631.41760	1.8
649.42810	0.8
734.45056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.6
67.05495	6.8
69.03417	12.5
69.07056	7.6
69.76775	1.8
71.01347	1.8
71.04980	60.6
72.05301	0.5
73.02502	0.5
73.02903	7.1
75.04460	3.1
79.05477	3.1
81.03409	1.3
81.07045	9.8
83.04967	13.2
83.08614	1.7
85.02890	100.0
86.03242	0.4
87.04446	2.7
89.84566	0.3
91.05459	2.9
93.07027	6.6
95.04967	2.5
95.08591	11.4
97.02875	13.9
97.06498	0.9
97.10154	1.1
98.21447	0.3
99.04437	9.0
99.74788	0.2
100.20580	0.2
101.05984	0.5
103.03928	1.1
105.07008	5.1
107.04945	0.6
107.08575	8.4
109.02850	0.7
109.06487	1.1
109.10139	18.6
111.04424	10.9
111.08070	0.4
111.11678	0.7
113.02338	0.3
113.05992	0.7
115.03911	10.3
117.05468	4.7
117.07012	0.8
119.08565	6.7
121.06494	0.6
121.10123	8.7
121.10960	0.5
123.04378	0.9
123.08047	0.7
123.11682	14.4
125.05987	0.5
125.09593	0.3
125.13200	0.3
127.03906	2.2
129.05455	34.0
131.08543	3.2
133.04959	1.5
133.06447	0.4
133.10110	6.0
135.04370	0.5
135.08051	1.2
135.11665	8.4
137.05928	0.6
137.13219	4.8
139.03870	2.5
139.07509	0.7
139.11159	0.3
141.05455	0.3
142.07697	0.3
143.03380	0.4
143.08557	1.6
144.09328	0.3
145.04953	4.7
145.10104	4.4
147.06497	13.8
147.11664	3.7
149.05890	0.3
149.09573	0.9
149.13234	3.9
151.03893	0.4
151.07428	1.2
151.14799	1.0
153.05437	0.6
153.09039	0.6
153.12727	0.4
155.08508	0.6
157.04971	1.5
157.10101	2.5
159.06438	0.3
159.08008	0.5
159.11673	4.9
161.05898	0.4
161.09586	0.6
161.13197	3.4
163.05965	2.6
163.07498	2.1
163.11180	0.4
163.14798	2.7
165.05464	0.4
165.07619	0.6
165.09105	0.9
165.12741	0.3
167.10655	0.5
169.04922	0.6
169.10046	0.9
171.06517	2.3
171.11655	1.9
173.09570	0.4
173.13228	3.4
175.11125	0.4
175.14812	3.1
177.09076	1.6
177.16405	1.3
179.06992	0.4
179.10625	0.8
179.14297	0.5
181.04895	0.3
181.12126	0.3
183.06624	0.3
183.10106	0.3
183.11633	1.0
185.09601	0.3
185.13210	2.2
187.11156	0.3
187.14801	5.4
189.07523	0.3
189.09076	1.0
189.16341	3.1
191.10675	1.3
191.17914	5.7
193.12167	0.5
193.19498	1.6
195.06479	0.6
195.11626	0.4
197.08029	0.4
197.13164	0.8
199.05977	0.7
199.14780	1.8
201.07509	0.4
201.12776	0.7
201.16339	3.6
203.10634	0.9
203.14259	0.7
203.17929	3.7
205.12122	0.7
205.19453	1.0
207.13776	0.5
207.17409	0.4
208.07069	0.3
209.13214	0.5
209.52634	0.2
211.14743	1.1
213.07506	0.6
213.12772	0.3
213.16362	1.6
215.10591	0.2
215.14279	0.4
215.17967	1.4
217.07127	0.3
217.12332	0.6
217.19557	1.5
219.13834	1.2
219.17192	0.3
219.20926	1.0
221.15320	0.6
221.19128	0.3
223.14757	0.3
225.07571	6.8
225.16301	0.6
227.14410	0.4
227.17862	0.9
229.12154	0.3
229.15848	0.6
229.19475	0.6
231.08562	0.4
231.13770	1.9
233.15347	1.7
239.09100	0.3
239.17862	0.4
241.15799	0.4
241.19438	0.8
243.06113	0.4
243.08609	6.2
243.13715	0.4
243.21054	1.2
245.15273	2.7
247.16910	3.9
249.18404	0.3
253.19531	0.7
255.21039	1.1
257.10092	0.3
257.15240	0.4
259.16827	0.9
261.09680	4.2
267.20996	0.6
271.16949	0.3
273.18353	0.8
275.19983	0.5
279.10681	3.2
281.22516	0.3
285.18365	0.9
287.19952	0.4
293.12128	0.5
297.22003	0.3
299.19882	1.1
301.21579	0.9
309.25580	1.0
313.21771	1.5
315.23184	3.1
321.25537	0.5
323.27353	0.6
327.23166	0.7
333.25345	0.4
351.26773	1.6
353.24533	0.3
355.26080	1.2
367.26022	0.7
369.27820	12.8
370.28354	0.4
373.27393	1.6
377.31961	1.9
381.27634	1.0
387.28955	1.5
391.28610	2.6
391.33273	0.5
395.33163	1.3
399.28918	0.4
409.34329	0.7
419.33179	1.4
435.32965	0.3
437.34106	16.4
438.34186	0.4
455.35239	5.7
529.36475	0.7
533.36316	0.4
547.37732	1.6
565.38416	1.1
569.37878	0.6
583.39301	0.5
587.39130	1.2
673.42175	1.0
715.43317	0.6
733.45087	11.8
734.44800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.1
67.05498	5.1
69.03419	8.3
69.07060	5.3
71.01346	2.2
71.04983	65.6
71.48525	0.7
73.02908	7.3
75.04469	4.5
79.05479	4.7
81.03410	1.8
81.07043	7.3
83.04968	22.1
83.08608	2.1
84.05342	0.3
85.02892	100.0
85.06526	0.6
86.03234	1.1
86.06086	0.4
87.04450	2.8
91.05473	6.4
93.07024	3.6
93.07507	0.4
95.04955	4.1
95.08595	7.3
97.02882	8.4
97.06504	1.6
97.10157	7.8
98.10491	0.3
98.45114	0.3
99.04446	5.0
99.08066	0.4
101.06022	1.4
103.03915	0.8
103.05444	0.5
105.07013	9.6
107.04937	1.2
107.08578	23.7
108.05317	0.3
108.08915	0.3
109.02886	1.1
109.06501	2.1
109.10147	6.3
111.04428	15.3
111.08030	0.9
113.02391	0.7
113.06001	1.6
115.03915	6.2
117.05486	1.6
117.06977	1.6
119.08567	5.0
121.06474	1.6
121.10133	4.5
122.10336	0.4
123.04444	0.7
123.08046	1.1
123.11703	2.0
125.06003	1.0
125.09614	12.9
127.03893	13.9
127.11176	0.6
129.05463	27.7
129.07013	0.9
131.08548	3.7
132.81671	0.3
133.04965	1.4
133.06471	0.7
133.10123	4.5
135.04425	0.6
135.08095	0.5
135.11694	2.9
136.06175	0.5
137.05948	0.6
137.13228	0.7
139.03857	1.6
141.05484	0.3
141.06943	0.4
142.07747	0.4
143.03419	0.4
143.08553	1.8
143.10689	1.4
145.04929	1.2
145.06496	0.4
145.10110	5.1
147.06496	8.5
147.08006	0.9
147.11678	3.4
148.75905	0.4
149.05995	0.6
149.13264	1.2
151.07498	0.6
151.11188	0.3
153.05437	2.5
157.04970	2.3
157.10100	2.9
159.06593	0.7
159.08076	0.8
159.11673	4.6
161.05981	0.4
161.09586	0.8
161.13228	2.1
163.06061	0.7
163.11179	0.5
163.14772	0.4
165.05510	0.5
169.10146	1.0
170.10793	0.4
171.06500	2.4
171.11650	2.0
173.09575	0.6
173.13216	2.1
175.06134	0.4
175.11162	0.6
175.14877	0.9
177.12744	2.5
177.16431	0.3
179.07076	0.7
179.14348	0.5
181.10101	0.6
183.06580	0.3
183.11690	1.1
185.13242	1.6
187.14899	0.9
189.16394	0.8
191.17924	0.6
195.11592	0.5
197.13268	1.7
199.11182	0.4
199.14687	1.6
201.07671	0.6
201.12698	0.6
201.16359	4.9
203.14418	0.5
203.17940	0.8
205.16202	0.4
209.13286	0.7
211.14899	0.4
213.07556	0.7
213.12817	0.8
213.16444	1.1
215.14365	0.5
217.15924	0.5
223.14885	0.5
225.07495	3.2
225.12572	0.4
227.18155	0.5
229.15869	0.5
229.19576	0.6
237.16248	0.4
239.09108	4.3
239.17821	0.7
241.19469	3.8
243.08632	2.7
251.17987	0.7
253.19550	1.0
255.17497	0.4
257.10132	1.7
257.18985	0.4
259.20538	6.4
261.09631	2.2
269.19022	0.5
271.20615	0.6
275.11148	1.7
275.20135	0.5
279.10785	2.5
293.12372	1.5
299.23798	0.5
301.21500	0.4
309.22174	0.4
311.23611	1.6
329.24866	1.1
347.26114	0.6
353.24838	0.7
369.24255	0.5
387.25403	0.5
391.24640	0.4
403.26077	0.7
405.26349	0.9
405.31537	0.5
407.26077	0.5
417.31726	0.4
419.33185	0.4
421.27655	1.2
435.32654	2.1
437.34253	1.3
439.28561	1.2
453.33594	4.9
455.35120	4.0
457.29300	1.3
471.34622	3.5
473.36240	5.0
475.30750	0.7
493.31607	0.5
503.55933	0.4
545.35767	0.5
563.37634	0.9
581.38507	1.7
585.37860	1.4
599.39368	2.9
603.38654	2.0
605.40607	1.3
607.34448	0.6
617.40137	2.6
672.84106	0.4
731.44171	0.6
745.45435	0.6
749.44714	1.2
751.46509	1.2
763.46198	0.4
877.49384	1.3
895.50378	64.3
896.50934	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	895.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.6
65.18591	0.2
67.05492	5.5
69.03415	12.3
69.07056	4.4
70.06586	0.3
70.41372	0.8
70.41754	0.2
71.01346	1.7
71.04977	55.9
72.05315	0.4
73.02898	5.9
75.04461	3.8
79.05470	2.9
81.03399	2.8
81.07040	8.1
83.01340	0.2
83.04961	13.3
83.08591	1.2
85.02886	100.0
85.06505	0.3
86.03216	0.7
86.06053	0.5
86.09676	0.2
87.04440	2.4
91.03940	0.5
91.05457	2.8
93.07027	6.1
95.04951	2.3
95.08585	9.3
96.43999	0.2
97.02871	17.4
97.06502	1.2
97.10154	0.6
99.04430	4.4
101.02412	0.2
101.06007	0.4
103.03948	1.0
103.05422	0.4
105.07005	5.1
107.04932	0.7
107.08570	7.5
109.02849	2.6
109.06511	1.2
109.10132	12.7
111.04418	11.3
111.05215	0.2
111.08054	0.6
111.11715	0.4
113.02357	0.4
113.05984	0.8
113.09605	0.2
114.09116	0.2
115.03909	8.8
116.04199	0.2
117.05492	1.2
117.07003	0.9
119.08553	6.2
119.09393	0.4
121.06522	1.0
121.10122	7.1
123.04436	0.9
123.08068	1.4
123.11677	8.9
125.05985	0.8
125.09623	0.6
127.03893	5.6
128.06180	0.3
129.05449	33.3
130.05794	0.4
130.08609	0.4
131.04951	0.2
131.08531	2.2
133.04942	2.2
133.06480	0.4
133.10106	5.6
135.04405	0.5
135.08043	1.1
135.11664	6.3
136.11935	0.2
137.02306	0.2
137.05962	1.0
137.09596	0.4
137.13225	2.7
139.03864	1.9
139.07570	0.5
139.11147	0.3
141.09100	0.4
142.07770	0.4
143.03362	0.3
143.07106	0.2
143.07454	0.2
143.08510	1.6
144.09325	0.2
145.03033	0.2
145.04927	4.9
145.06310	0.2
145.06540	0.2
145.10095	3.8
147.04578	0.4
147.06491	13.2
147.07932	0.5
147.11641	3.7
149.05956	0.4
149.09615	0.7
149.13219	2.4
151.03880	0.5
151.07513	0.6
151.11118	0.3
151.14803	0.4
153.05475	1.0
153.06612	0.2
153.09079	0.3
153.12743	0.2
155.08484	0.6
156.09337	0.3
157.04913	1.3
157.10094	2.0
159.06633	0.3
159.08086	0.7
159.11649	3.8
160.09715	0.4
161.06055	0.3
161.09631	0.7
161.13223	3.0
163.03905	0.3
163.06009	1.5
163.07538	1.1
163.11151	0.4
163.14801	1.8
165.05429	0.4
165.07571	0.7
165.09114	0.5
165.12770	0.2
167.07021	0.3
169.04941	0.5
169.10107	0.8
171.06522	1.7
171.07838	0.3
171.11647	1.8
173.08186	0.3
173.09621	0.8
173.13220	2.6
175.11215	0.4
175.14795	2.3
177.05476	0.4
177.09081	1.0
177.12762	0.3
177.16304	1.1
179.07054	0.4
179.09219	0.2
179.10678	0.8
179.14340	0.6
181.04970	0.5
183.06532	0.4
183.11676	0.9
185.09607	0.3
185.13213	1.7
186.14037	0.2
187.05997	0.3
187.09636	0.7
187.11192	0.5
187.14780	3.6
187.16318	0.3
188.15129	0.2
189.07571	0.2
189.09125	0.6
189.12740	0.3
189.16362	2.3
191.10669	0.9
191.14273	0.2
191.17902	3.5
193.12257	0.3
193.19586	0.4
195.06500	0.4
195.11665	0.2
197.08061	0.2
197.13275	0.7
199.06078	0.5
199.11099	0.3
199.14796	1.3
201.12816	0.6
201.16353	2.5
203.10605	0.4
203.14165	0.4
203.17928	2.4
204.06528	0.2
205.12302	0.5
205.19510	0.5
207.06540	0.7
207.11839	0.2
207.13715	0.3
207.17456	0.5
209.13269	0.4
211.14786	0.9
213.07494	0.5
213.12830	0.3
213.16338	1.0
215.14294	0.3
215.17921	0.8
217.07031	0.2
217.12265	0.5
217.15894	0.2
217.19456	1.0
219.13788	0.7
219.21051	0.4
221.15398	0.4
221.19072	0.2
223.14742	0.3
225.07555	4.5
225.16446	0.3
227.14359	0.3
227.17960	0.6
229.12198	0.4
229.15915	0.4
229.19591	0.6
231.08679	0.5
231.13745	1.0
231.17340	0.2
233.15312	1.0
235.14790	0.2
235.16927	0.2
237.07581	0.5
239.09142	0.9
239.11551	0.3
239.17905	0.3
241.07108	0.3
241.15878	0.2
241.19522	0.5
243.08591	4.0
243.10930	0.3
243.13828	0.3
243.21045	1.6
245.15282	1.2
247.16887	2.0
251.11845	0.3
253.19608	0.3
255.08578	0.9
255.21123	0.7
257.10187	0.2
257.15610	0.2
257.18970	0.2
259.08133	0.3
259.17026	0.4
261.09665	1.9
261.18475	0.3
265.19385	0.2
267.21075	0.2
269.19214	0.2
269.22528	0.3
273.09705	1.1
273.18564	0.4
275.11243	0.6
275.20306	0.2
277.09174	0.2
279.10736	4.0
279.21063	0.2
281.22513	0.2
283.20547	0.3
285.18484	0.4
287.20096	0.2
293.12445	0.5
293.22668	0.2
297.22028	0.3
299.20071	0.4
301.21619	0.5
309.11856	1.0
310.12909	0.2
313.21628	0.7
315.23117	1.2
321.25751	0.3
323.27350	0.3
327.23312	0.2
341.24417	0.2
349.25305	0.3
351.26880	0.5
363.26788	0.4
367.26230	0.3
369.27820	3.5
369.32315	0.3
377.32065	1.3
381.27762	1.0
383.29349	0.4
387.28931	0.8
391.33548	0.4
395.33221	1.2
401.31744	0.9
409.35037	1.0
419.33145	2.2
435.32651	0.7
437.34067	10.7
438.34521	0.9
441.30246	0.7
449.34244	0.2
453.33698	1.3
455.35132	14.4
456.35623	0.9
467.35486	0.8
471.34851	0.4
473.33392	0.2
479.35483	0.5
480.35754	0.2
483.18005	0.3
487.35748	0.3
497.36053	0.5
509.36099	0.4
515.34949	0.3
521.36652	0.3
523.37830	0.2
529.36566	0.7
533.36151	0.9
547.37610	1.9
551.37231	1.2
565.38696	1.6
569.38672	0.3
581.38159	0.2
583.40277	0.2
587.39258	1.4
622.23383	0.3
740.32825	0.3
749.45111	0.3
848.21985	0.2
851.23059	0.2
859.48560	0.2
877.49207	0.6
878.48022	0.2
895.50275	16.5
896.50317	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	895.503
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.5
67.05489	5.1
69.03413	13.0
69.07050	4.8
71.01337	1.6
71.04977	50.8
71.08616	0.1
72.05320	0.4
73.02903	5.1
74.09705	0.1
75.04463	3.4
79.05474	2.7
81.03406	2.7
81.03860	0.2
81.07037	7.5
83.04962	11.1
83.08602	1.2
85.02885	100.0
85.06503	0.3
86.03214	0.8
86.06054	0.5
87.04452	2.6
91.03945	0.4
91.05453	2.6
93.07022	5.2
95.04946	2.1
95.05495	0.2
95.08583	9.1
97.02870	18.5
97.06516	0.9
97.10121	0.9
98.03203	0.2
98.06004	0.2
99.04436	3.7
99.08088	0.2
100.60799	0.1
101.02340	0.2
101.06019	0.7
101.06588	0.1
103.03926	1.0
103.05428	0.3
105.07006	4.6
107.04937	0.5
107.08565	7.3
108.08899	0.2
109.02847	2.3
109.06502	0.8
109.10133	12.7
110.10435	0.2
111.04418	9.9
111.08057	0.3
111.11706	0.5
112.04750	0.2
113.02347	0.6
113.05994	0.6
115.03904	9.5
117.05457	1.0
117.06963	0.8
119.04906	0.2
119.08550	6.0
121.02798	0.2
121.06486	0.8
121.10117	6.9
122.10474	0.1
123.04430	0.6
123.08055	0.8
123.11681	8.7
125.05955	0.7
125.09560	0.1
125.13234	0.1
127.03884	6.3
128.06177	0.2
129.05446	32.1
130.05801	0.3
131.08539	2.1
133.04947	2.1
133.06496	0.3
133.10098	4.6
135.04385	0.4
135.08040	0.9
135.11661	5.6
136.06189	0.7
136.11958	0.1
137.05951	0.5
137.09616	0.4
137.13222	3.0
139.03856	1.8
139.07507	0.5
139.11157	0.2
141.05446	0.3
142.07753	0.4
143.03345	0.2
143.08530	1.6
144.09302	0.2
145.04924	5.5
145.10085	3.3
147.06490	13.0
147.07881	0.4
147.11652	3.1
147.12831	0.2
149.04482	0.1
149.05937	0.3
149.09578	0.5
149.13228	2.7
151.03862	0.3
151.07452	0.6
151.11082	0.2
151.14777	0.5
153.05428	0.6
153.09061	0.4
153.12753	0.3
155.07051	0.2
155.08510	0.5
156.09332	0.3
157.04906	0.8
157.10086	1.6
159.06560	0.3
159.07983	0.3
159.10330	0.2
159.11656	3.4
161.05969	0.2
161.09598	0.5
161.13222	2.6
163.03859	0.2
163.05984	1.6
163.07497	1.0
163.11197	0.3
163.14783	2.3
165.05438	0.4
165.07536	0.4
165.09070	0.6
165.12717	0.2
165.16284	0.1
167.07155	0.1
167.10641	0.2
169.04889	0.8
169.08820	0.1
169.10066	0.7
170.10860	0.2
171.06523	1.3
171.07935	0.3
171.11646	1.7
173.08023	0.5
173.09592	0.6
173.13234	2.6
175.11174	0.3
175.14767	2.0
177.05466	0.2
177.09056	1.1
177.12671	0.2
177.16335	1.2
179.07016	0.4
179.10544	0.7
179.14270	0.4
181.04939	0.5
181.10040	0.2
182.10872	0.1
183.06490	0.4
183.10188	0.2
183.11623	0.6
185.09572	0.3
185.13213	2.0
186.13885	0.2
187.05940	0.3
187.09569	0.7
187.11159	0.3
187.14778	3.1
189.07544	0.2
189.09071	0.6
189.12672	0.2
189.16354	2.2
191.10611	0.8
191.14302	0.2
191.17905	3.6
193.04968	0.2
193.12132	0.2
193.15800	0.2
193.19438	0.6
194.14662	0.1
195.06464	0.6
195.11659	0.2
197.08055	0.2
197.13181	0.8
199.05969	0.6
199.11134	0.2
199.14799	1.3
201.09039	0.1
201.12788	0.3
201.16338	2.5
203.10568	0.4
203.14268	0.3
203.17902	2.3
205.12175	0.5
205.19434	0.6
207.06476	0.5
207.13693	0.3
207.17349	0.4
209.13159	0.3
211.14725	0.7
213.07449	0.4
213.12592	0.2
213.16304	1.0
215.10873	0.1
215.14246	0.4
215.17920	0.9
217.07068	0.4
217.12207	0.5
217.19464	0.7
219.13733	0.7
219.21024	0.2
221.15320	0.4
223.05981	0.4
223.14732	0.4
225.07529	4.7
225.12741	0.1
225.16360	0.4
227.14288	0.3
227.17859	0.6
229.12282	0.2
229.15816	0.5
229.19405	0.6
231.08594	0.3
231.13759	1.2
231.20966	0.2
233.15245	0.8
235.14684	0.2
235.16878	0.2
237.07510	0.3
237.16280	0.2
239.17892	0.4
241.07056	0.6
241.15923	0.3
241.19472	0.7
243.08611	4.0
243.13727	0.2
243.17307	0.3
243.20943	0.6
245.15347	1.6
247.16884	2.4
249.18532	0.1
251.17953	0.2
253.19467	0.5
255.08578	0.9
255.17200	0.1
255.21001	0.8
257.15408	0.3
259.08069	0.5
259.16891	0.4
260.76669	0.1
261.09671	1.7
261.18494	0.2
265.19403	0.2
267.21021	0.3
269.22510	0.4
271.16879	0.3
271.20148	0.1
273.09622	0.8
273.18530	0.4
275.20020	0.3
279.10690	2.9
281.18927	0.1
281.22519	0.2
285.18375	0.3
285.22208	0.1
287.19980	0.3
289.21603	0.1
295.20551	0.2
295.23935	0.2
297.18356	0.1
297.21942	0.2
299.19824	0.5
301.21405	0.6
303.22922	0.2
309.11707	0.9
309.22266	0.2
309.25616	0.5
313.18018	0.1
313.21454	0.6
315.20383	0.1
315.23178	1.5
321.25650	0.3
323.27237	0.3
327.23102	0.2
327.26617	0.2
329.24609	0.1
335.27484	0.2
341.24536	0.2
343.26096	0.2
347.27319	0.1
351.26764	0.6
355.26093	0.2
363.26645	0.1
367.26147	0.3
369.27795	4.0
377.31888	1.2
381.27759	0.9
383.29300	0.2
387.28961	0.6
391.33456	0.3
395.33008	2.0
399.28702	0.2
401.31723	0.6
409.34647	0.8
419.33011	1.8
420.33524	0.2
437.34064	10.5
438.34164	0.5
441.29651	0.6
449.33893	0.3
453.33334	0.4
455.35144	12.3
456.35245	0.5
461.33740	0.2
467.35083	0.7
479.34641	0.4
485.34137	0.2
487.35352	0.2
491.35312	0.2
495.30878	0.1
497.35751	0.4
505.36432	0.3
509.35812	0.5
511.35120	0.2
521.35754	0.3
527.36780	0.2
529.36755	0.8
533.36469	0.8
539.37170	0.2
547.37549	2.0
551.37268	1.0
565.38654	1.3
569.37866	0.4
583.39227	0.3
587.39166	1.2
749.43488	0.2
895.50214	3.3
896.49341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47811	1.2
65.03930	7.1
67.05490	97.3
69.03416	10.2
69.07054	42.8
70.06573	1.7
71.01363	1.3
71.04604	1.5
71.04979	20.4
71.79392	1.7
71.79823	1.8
73.02905	2.8
79.05478	67.7
81.03403	20.1
81.07037	100.0
82.03706	1.3
82.07382	1.5
83.04967	14.7
83.08598	22.3
85.02878	7.8
85.06532	5.5
86.09686	2.1
87.04467	2.6
91.03932	3.0
91.05462	59.1
93.07027	74.7
95.04944	19.6
95.08589	46.2
97.02876	7.8
97.06509	28.6
97.10151	15.9
99.04440	3.7
99.08069	4.4
103.05440	2.5
105.07008	53.5
107.04954	11.8
107.08570	59.5
109.02865	3.1
109.06512	12.1
109.10134	35.0
111.04436	2.7
111.08069	11.2
113.05963	2.0
113.09615	2.1
115.05422	3.4
115.07523	1.9
116.07087	3.3
117.06995	26.4
117.07790	2.3
119.04901	1.5
119.08556	41.3
119.09397	2.1
121.06489	8.8
121.10115	26.8
123.04391	2.1
123.08057	7.4
123.11691	8.0
125.09613	15.0
127.03909	4.7
127.07587	1.8
128.06212	4.4
129.05475	2.5
129.06976	13.4
130.07767	2.2
130.42554	1.3
131.04903	2.2
131.08539	39.3
132.08971	1.7
133.06458	2.8
133.10100	38.3
135.08023	9.2
135.11676	17.8
137.05914	2.3
137.09642	8.5
141.06972	4.9
142.07790	3.4
143.08528	13.1
145.06406	2.9
145.10095	28.9
146.10475	1.8
147.08040	6.5
147.11646	18.3
149.09586	17.5
149.13225	17.1
151.11159	5.5
153.09094	1.9
155.08516	5.6
157.10098	14.1
159.08057	3.3
159.11671	24.6
161.09625	5.8
161.13225	8.1
163.11147	13.8
163.14812	2.1
165.09184	1.8
165.12672	3.1
167.08495	2.9
169.10074	9.3
171.08060	1.4
171.10266	2.6
171.11653	12.4
173.04399	3.9
173.09639	4.0
173.11713	5.8
173.13258	10.0
175.11200	5.1
177.12733	6.3
179.14301	3.8
181.10100	4.1
183.11650	7.6
185.09647	1.7
185.13260	5.5
187.11125	2.9
187.14789	3.2
189.11266	5.9
189.12735	2.4
191.14288	2.0
193.12289	2.4
195.11720	3.9
195.13812	4.8
197.13217	5.8
199.14851	4.2
201.12682	2.7
201.16391	1.4
203.14308	2.4
205.58804	1.4
207.11790	1.6
209.13377	2.1
209.15324	1.7
211.14767	2.9
213.12827	1.8
213.16460	1.4
215.14204	2.2
217.15823	1.7
227.12695	16.4
229.14256	14.9
229.19489	4.1
233.15471	1.5
239.17892	3.9
247.20630	3.2
251.16393	3.5
253.14218	2.6
255.15695	6.0
257.18994	12.3
259.20590	2.0
261.14883	1.6
267.15854	7.1
269.17377	25.1
270.80573	1.6
271.16623	1.6
273.18527	3.7
275.20004	42.0
285.17294	1.6
289.18015	1.7
291.19504	4.8
293.17584	1.3
293.21008	4.6
299.19894	1.9
307.22803	2.0
313.21561	1.7
320.40137	1.5
331.22675	4.3
335.25906	2.6
337.25281	1.4
339.22876	1.3
347.22302	1.9
349.23654	37.3
367.24677	3.1
371.25879	1.7
381.26501	1.9
392.71292	1.3
395.20648	2.1
409.25821	5.1
413.21637	2.9
417.30005	1.5
419.28183	1.7
423.27313	20.1
431.27878	5.3
433.30658	3.9
445.29309	8.3
449.28931	17.7
451.31863	2.4
463.30457	26.3
469.33246	2.6
477.32184	1.8
503.33716	9.7
507.34537	2.1
513.37006	1.6
515.37170	3.5
519.33521	2.2
521.34406	2.0
525.35797	13.8
528.36792	1.6
529.35535	6.9
543.36707	79.4
544.36761	2.6
557.37439	1.6
561.37781	13.9
567.30768	1.9
571.32043	1.9
575.39996	7.4
589.33899	1.8
591.61951	1.5
593.33392	2.9
607.34674	11.9
619.39392	1.6
623.42773	14.6
641.43524	5.5
655.45270	2.6
669.39331	1.8
687.40735	6.5
705.41888	3.1
888.54108	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	888.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47811	1.2
65.03930	7.1
67.05490	97.3
69.03416	10.2
69.07054	42.8
70.06573	1.7
71.01363	1.3
71.04604	1.5
71.04979	20.4
71.79392	1.7
71.79823	1.8
73.02905	2.8
79.05478	67.7
81.03403	20.1
81.07037	100.0
82.03706	1.3
82.07382	1.5
83.04967	14.7
83.08598	22.3
85.02878	7.8
85.06532	5.5
86.09686	2.1
87.04467	2.6
91.03932	3.0
91.05462	59.1
93.07027	74.7
95.04944	19.6
95.08589	46.2
97.02876	7.8
97.06509	28.6
97.10151	15.9
99.04440	3.7
99.08069	4.4
103.05440	2.5
105.07008	53.5
107.04954	11.8
107.08570	59.5
109.02865	3.1
109.06512	12.1
109.10134	35.0
111.04436	2.7
111.08069	11.2
113.05963	2.0
113.09615	2.1
115.05422	3.4
115.07523	1.9
116.07087	3.3
117.06995	26.4
117.07790	2.3
119.04901	1.5
119.08556	41.3
119.09397	2.1
121.06489	8.8
121.10115	26.8
123.04391	2.1
123.08057	7.4
123.11691	8.0
125.09613	15.0
127.03909	4.7
127.07587	1.8
128.06212	4.4
129.05475	2.5
129.06976	13.4
130.07767	2.2
130.42554	1.3
131.04903	2.2
131.08539	39.3
132.08971	1.7
133.06458	2.8
133.10100	38.3
135.08023	9.2
135.11676	17.8
137.05914	2.3
137.09642	8.5
141.06972	4.9
142.07790	3.4
143.08528	13.1
145.06406	2.9
145.10095	28.9
146.10475	1.8
147.08040	6.5
147.11646	18.3
149.09586	17.5
149.13225	17.1
151.11159	5.5
153.09094	1.9
155.08516	5.6
157.10098	14.1
159.08057	3.3
159.11671	24.6
161.09625	5.8
161.13225	8.1
163.11147	13.8
163.14812	2.1
165.09184	1.8
165.12672	3.1
167.08495	2.9
169.10074	9.3
171.08060	1.4
171.10266	2.6
171.11653	12.4
173.04399	3.9
173.09639	4.0
173.11713	5.8
173.13258	10.0
175.11200	5.1
177.12733	6.3
179.14301	3.8
181.10100	4.1
183.11650	7.6
185.09647	1.7
185.13260	5.5
187.11125	2.9
187.14789	3.2
189.11266	5.9
189.12735	2.4
191.14288	2.0
193.12289	2.4
195.11720	3.9
195.13812	4.8
197.13217	5.8
199.14851	4.2
201.12682	2.7
201.16391	1.4
203.14308	2.4
205.58804	1.4
207.11790	1.6
209.13377	2.1
209.15324	1.7
211.14767	2.9
213.12827	1.8
213.16460	1.4
215.14204	2.2
217.15823	1.7
227.12695	16.4
229.14256	14.9
229.19489	4.1
233.15471	1.5
239.17892	3.9
247.20630	3.2
251.16393	3.5
253.14218	2.6
255.15695	6.0
257.18994	12.3
259.20590	2.0
261.14883	1.6
267.15854	7.1
269.17377	25.1
270.80573	1.6
271.16623	1.6
273.18527	3.7
275.20004	42.0
285.17294	1.6
289.18015	1.7
291.19504	4.8
293.17584	1.3
293.21008	4.6
299.19894	1.9
307.22803	2.0
313.21561	1.7
320.40137	1.5
331.22675	4.3
335.25906	2.6
337.25281	1.4
339.22876	1.3
347.22302	1.9
349.23654	37.3
367.24677	3.1
371.25879	1.7
381.26501	1.9
392.71292	1.3
395.20648	2.1
409.25821	5.1
413.21637	2.9
417.30005	1.5
419.28183	1.7
423.27313	20.1
431.27878	5.3
433.30658	3.9
445.29309	8.3
449.28931	17.7
451.31863	2.4
463.30457	26.3
469.33246	2.6
477.32184	1.8
503.33716	9.7
507.34537	2.1
513.37006	1.6
515.37170	3.5
519.33521	2.2
521.34406	2.0
525.35797	13.8
528.36792	1.6
529.35535	6.9
543.36707	79.4
544.36761	2.6
557.37439	1.6
561.37781	13.9
567.30768	1.9
571.32043	1.9
575.39996	7.4
589.33899	1.8
591.61951	1.5
593.33392	2.9
607.34674	11.9
619.39392	1.6
623.42773	14.6
641.43524	5.5
655.45270	2.6
669.39331	1.8
687.40735	6.5
705.41888	3.1
888.54108	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	888.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	5.4
67.05495	100.0
68.05818	1.1
69.03423	10.1
69.07057	33.3
71.01328	2.6
71.04703	0.7
71.04993	6.8
71.08622	1.1
71.79653	1.7
73.02893	4.6
75.68610	0.9
79.05482	53.1
79.85658	0.8
80.05807	1.1
81.03410	20.9
81.07044	72.2
82.07411	1.1
83.01322	1.3
83.04961	13.0
83.08604	24.4
85.02895	14.5
85.06524	5.0
87.04464	3.2
91.05466	43.5
92.05825	0.8
93.07031	48.0
95.04955	17.0
95.08591	35.9
96.08913	1.0
97.02871	9.2
97.06512	18.1
97.10158	25.0
99.04443	1.5
99.08067	3.4
103.03967	2.2
103.05466	1.7
105.07014	33.2
106.07355	1.5
107.04945	12.6
107.08575	41.8
109.02871	2.7
109.06499	8.9
109.10142	64.9
110.10467	1.3
111.04431	3.3
111.08056	7.1
113.09625	2.5
115.05426	2.2
117.06996	15.9
119.04899	1.3
119.08562	29.7
120.08872	0.9
121.06492	5.3
121.09246	1.4
121.10116	16.7
123.04429	1.3
123.08066	5.8
123.11697	4.2
125.09610	23.4
127.03905	3.8
128.06160	1.3
129.05463	3.2
129.06975	5.7
130.07800	1.4
131.08543	19.6
133.06480	2.4
133.10107	20.9
135.08029	6.7
135.10739	1.5
135.11678	14.8
137.09583	6.7
139.11148	1.3
141.07018	2.2
142.07756	1.7
143.07060	1.0
143.08539	5.0
143.10623	1.8
145.04991	1.4
145.06462	2.1
145.10097	21.1
147.08038	3.5
147.11670	13.5
149.09596	15.5
149.13232	8.8
151.11171	2.6
153.09109	2.7
153.12721	2.7
155.08487	1.9
155.10655	3.1
157.08681	1.5
157.10098	5.2
159.11679	13.4
161.09604	2.9
161.13240	5.6
163.11145	14.2
165.09053	1.5
165.12726	1.8
169.10161	1.8
171.10245	1.9
171.11673	3.5
173.04442	2.5
173.09583	3.2
173.11717	19.1
173.13234	5.4
174.10083	1.0
175.11180	2.8
177.12709	4.6
179.10654	1.1
179.14302	3.5
181.12196	3.7
183.11647	3.4
185.13295	1.7
187.11124	1.0
187.14830	2.9
189.11211	11.6
189.12718	1.3
191.10657	3.6
193.12195	4.3
195.13777	4.3
197.13268	1.7
199.13232	5.4
201.12735	1.2
209.11656	5.7
211.13211	1.6
215.17993	1.0
217.14304	1.5
227.12747	26.5
229.14322	54.3
229.19377	1.8
233.15262	1.4
239.17915	3.5
245.13669	1.2
247.20503	1.5
249.15018	1.1
253.14313	1.7
253.18161	1.1
255.15848	7.1
257.19016	10.8
259.20560	1.1
265.14337	1.3
267.15775	8.1
269.17426	17.6
269.20282	0.9
273.18509	1.5
275.20016	40.4
276.20358	1.4
279.16101	1.0
283.15302	2.2
284.15469	0.9
285.16910	1.9
291.19418	2.7
293.17957	1.4
293.21054	3.8
301.16394	13.2
321.24197	1.5
331.22815	2.6
335.25720	2.8
349.23676	31.8
350.24069	1.4
353.41080	1.0
367.24609	3.2
377.22852	0.9
389.17938	1.1
399.23761	20.1
400.24344	0.9
407.27853	2.4
409.25787	6.3
413.21542	0.9
423.21622	1.3
423.27338	19.5
429.98190	1.0
477.28278	2.1
480.29758	1.0
481.27484	1.5
491.33698	2.3
495.29593	4.2
503.33646	21.4
521.34546	3.9
529.38672	3.2
541.35089	1.3
545.53741	1.0
547.39050	1.0
557.34546	1.9
575.35516	3.6
579.34851	3.7
593.36755	19.0
673.43097	11.5
691.43036	3.5
820.87756	1.1
888.49292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	3.7
67.05492	100.0
68.05813	1.2
69.03415	9.1
69.07055	31.9
69.58847	3.2
69.59259	2.1
71.01344	2.4
71.04973	6.9
72.54754	0.6
73.02903	3.9
77.03907	1.1
77.08280	0.6
79.05478	51.8
80.05804	0.9
81.03407	18.6
81.07040	62.6
82.07359	1.0
83.04967	14.3
83.08099	1.1
83.08604	23.9
85.02892	15.2
85.06524	4.0
87.04460	4.1
91.05463	45.2
93.07027	43.4
95.01355	0.7
95.04947	13.8
95.05494	1.1
95.08587	32.8
97.02867	5.4
97.06516	13.1
97.10152	26.1
98.21404	1.3
99.04434	1.9
99.08095	2.6
101.02375	0.9
101.06013	0.7
103.03955	1.1
103.05451	1.0
105.07008	35.4
106.07365	0.9
107.04945	9.7
107.08573	45.1
108.08886	0.7
109.02876	2.5
109.06496	6.4
109.10136	59.0
110.10497	1.5
111.04457	2.6
111.08054	6.9
113.06044	0.7
113.09624	1.3
115.05440	2.0
115.07639	0.6
116.04735	0.8
116.06239	0.9
117.06982	15.6
117.07752	0.9
119.08560	27.6
121.06479	4.6
121.10119	14.5
123.08054	4.6
123.11713	4.1
125.09607	24.6
127.03876	3.8
127.07536	0.8
128.06264	0.9
129.05495	3.7
129.06972	6.1
130.07820	0.7
131.04915	1.3
131.08545	18.0
133.06479	1.8
133.10100	19.9
135.08022	6.1
135.11659	12.0
135.12608	0.9
137.09604	5.0
137.13251	0.9
139.07550	0.8
139.11157	1.8
141.07011	1.6
142.07777	0.9
143.08537	4.3
143.10670	2.9
144.09372	0.8
145.04970	1.1
145.06476	2.1
145.10095	17.6
147.08052	1.8
147.11664	12.4
149.09599	12.6
149.13220	6.7
151.11186	2.5
153.09100	1.8
153.12767	1.8
154.07835	0.9
155.08577	2.7
155.10577	2.9
157.08807	1.2
157.10136	5.0
159.08084	1.4
159.11661	11.6
161.09627	2.0
161.13205	5.9
163.11154	13.1
163.12396	1.0
163.14877	1.1
165.09079	1.0
165.12715	1.2
167.08621	0.7
169.10138	2.8
171.10223	2.1
171.11720	4.1
173.04475	1.3
173.09598	2.5
173.11757	18.0
173.13272	4.6
175.11200	2.1
175.14793	1.5
177.12720	3.3
179.14302	2.2
181.10095	0.7
181.12280	2.2
183.11716	2.2
185.13223	1.3
187.11183	2.1
187.14880	1.7
189.11189	11.4
189.12715	1.3
190.93747	0.6
191.10693	2.2
193.12193	4.5
195.13846	2.4
197.13283	2.5
199.13322	6.5
199.14806	1.4
201.12833	1.2
205.12323	0.8
209.11679	5.3
211.13167	1.4
213.12895	0.6
215.14429	0.9
215.18077	0.7
217.14227	0.9
219.13879	1.2
227.12738	32.8
229.14307	40.9
229.19426	1.3
233.18848	0.7
235.16911	0.7
239.17996	3.6
241.10558	0.8
245.13875	1.7
247.20604	1.8
251.16518	0.6
253.14240	0.7
253.17946	1.2
255.15851	4.2
257.19022	10.8
265.14337	0.9
267.15842	5.8
269.17410	13.2
273.18555	1.4
275.20010	36.6
276.20447	1.4
283.15457	3.0
285.17023	1.1
291.19626	2.0
293.18143	1.0
293.20926	3.8
301.16388	9.0
313.21606	1.4
321.24280	1.2
325.20026	1.3
331.22800	2.5
335.25546	3.6
339.18158	0.8
341.21420	0.8
349.23666	32.0
365.23291	0.8
367.24838	1.2
383.24521	1.1
399.23703	22.3
407.27783	0.9
409.25772	3.5
413.21945	1.0
423.27332	11.4
447.27859	0.8
461.29092	1.4
471.26111	1.7
473.32956	1.4
485.32593	0.7
495.29730	2.6
503.33572	19.5
521.34760	2.4
529.38770	3.9
547.40088	0.9
553.33258	0.8
557.34851	1.5
567.31189	0.9
575.35590	4.5
593.36731	11.2
594.37628	0.9
610.40125	0.8
673.42993	15.2
674.43396	1.3
691.44000	2.9
858.93164	0.8
888.50140	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	888.53
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.7
66.43678	0.3
67.05494	48.0
68.05840	0.6
69.03426	1.9
69.07057	15.0
69.86148	1.9
71.01330	0.5
71.04983	3.1
71.08614	0.9
73.02899	2.4
73.06567	0.3
77.03910	0.3
79.05480	28.7
80.05844	0.3
81.03410	1.8
81.07043	56.5
82.07355	0.3
82.25486	0.3
83.04968	3.7
83.08611	9.2
85.02893	8.4
85.03381	0.6
85.06530	2.1
85.10159	0.3
87.04459	0.3
91.03949	5.4
91.05466	15.5
92.05816	0.2
93.07029	48.1
94.07362	0.4
95.04955	4.5
95.08590	26.8
96.08922	0.4
97.02872	3.9
97.06517	7.3
97.10152	2.1
99.04458	0.8
99.08055	1.7
99.72518	0.2
103.05423	0.3
105.04451	0.4
105.07011	9.7
105.07703	0.6
107.04957	0.4
107.08575	26.8
109.02863	0.3
109.06515	2.1
109.09388	0.5
109.10139	10.2
111.08065	4.3
111.11698	0.6
113.09626	0.7
115.03925	0.4
117.07003	5.8
119.08565	7.4
121.06492	0.8
121.10124	20.3
123.08093	0.9
123.11693	3.7
125.09612	1.0
127.03905	2.1
129.06982	0.6
131.08546	9.6
133.10109	8.6
135.08067	1.3
135.11670	11.3
137.09628	0.4
137.13243	0.8
139.11148	1.2
143.08536	0.4
145.04964	1.6
145.10097	3.1
147.11664	4.0
149.09612	1.1
149.13234	22.0
150.13644	0.3
151.11189	0.9
157.10120	0.7
159.11667	10.7
161.13260	2.0
163.05991	2.2
163.14792	1.6
165.12759	0.7
167.14308	0.4
169.86440	0.3
171.11646	0.5
173.13182	2.0
175.14815	1.0
177.12747	3.7
177.16368	0.6
179.14194	0.3
183.17896	0.3
185.13315	0.3
187.14801	0.9
191.14294	0.3
195.13762	6.3
195.15565	0.3
199.14854	0.3
201.16405	0.7
211.14966	0.3
213.14865	1.0
229.14334	0.6
232.76555	0.3
233.22606	0.4
243.21104	2.7
253.14378	0.3
253.17790	0.3
261.22095	8.2
261.95657	0.3
267.15863	2.5
269.17432	86.5
270.17880	1.4
271.18915	0.3
317.24710	1.8
333.24301	0.5
335.25751	47.2
336.26111	0.8
419.32889	0.6
435.31137	0.4
437.34204	1.4
455.35175	1.2
473.36667	0.4
475.35010	0.3
483.90433	0.3
511.37601	0.9
529.38800	100.0
530.39124	3.6
547.39740	3.0
568.43134	0.3
662.77850	0.3
740.62531	0.3
745.94141	0.3
779.62421	0.3
888.49591	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	887.391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12373	0.4
67.05501	0.8
69.03420	1.1
69.07056	1.5
71.14517	1.1
73.02882	0.5
79.05497	0.6
81.03415	1.9
85.02903	2.0
87.04459	1.1
91.05497	0.5
91.13523	0.4
94.06568	1.3
97.02898	1.4
106.06552	1.3
108.08109	10.7
108.08801	0.8
109.02887	1.0
110.06086	0.4
112.07554	0.5
113.00668	0.4
119.04944	0.5
120.08102	1.6
122.05182	0.8
122.06016	7.3
122.06832	0.7
127.03958	0.7
132.08064	0.5
134.05991	0.7
134.09662	0.7
134.65408	0.4
136.07599	1.2
138.05521	0.9
138.79234	0.4
140.07053	8.9
146.05994	3.1
146.09637	0.5
147.04454	0.6
148.07571	5.2
150.09148	3.6
152.07063	2.6
160.07657	1.2
162.09180	0.5
163.04007	0.6
164.07059	1.9
166.08601	2.8
172.03914	3.7
174.05495	3.5
174.09134	0.8
176.06999	2.0
177.05415	0.5
178.08667	0.5
181.08734	0.4
186.09105	0.6
190.05005	1.6
191.05795	0.7
192.06511	0.9
197.10817	0.7
198.11478	0.5
202.08791	0.5
204.06541	5.5
206.08154	1.8
208.09772	1.8
209.10725	0.6
210.11534	1.7
211.08664	0.7
211.12193	2.0
213.13872	0.5
216.10329	0.6
221.10641	0.6
222.11441	0.6
223.12308	2.2
224.13145	0.9
225.10226	0.9
225.13774	2.4
226.11015	0.6
226.14700	0.5
227.11795	2.1
230.08087	0.7
232.09761	0.6
234.11411	0.7
235.08717	1.6
235.12201	2.0
236.09396	1.5
236.13188	1.1
237.10136	4.4
237.13770	2.7
238.10921	2.8
238.14482	0.8
239.11754	8.4
239.15529	0.5
240.12477	2.7
241.13437	1.9
243.11395	0.6
246.11308	0.7
247.12404	0.6
248.09460	1.5
249.10188	7.0
249.13954	0.7
250.10938	7.5
251.11780	23.8
252.12546	6.1
253.10588	0.9
253.13339	15.4
253.15854	0.8
254.14122	1.5
255.15016	0.7
261.12503	0.8
262.10986	0.9
263.11774	16.8
264.08926	0.8
264.12601	4.7
265.09839	5.1
265.13412	23.3
266.10583	2.0
266.14124	5.0
267.11353	4.8
267.14966	2.6
268.11987	1.5
268.15463	0.7
269.12881	1.7
271.14520	0.6
274.10785	1.1
275.11862	1.6
277.09790	5.0
277.13364	3.6
278.10477	6.5
278.13864	0.6
279.11261	35.4
280.11914	5.7
281.12787	8.6
281.15573	0.6
282.13541	1.0
283.10886	1.0
283.14154	0.8
285.12424	1.4
285.15683	0.5
287.14026	1.7
289.09760	0.6
291.11255	8.9
292.11948	4.3
293.12811	16.1
294.13437	3.6
295.10834	5.3
295.14441	3.1
296.11533	1.1
296.14801	0.7
297.12326	6.2
298.13120	1.1
299.13824	2.5
303.11182	0.6
305.12503	0.5
307.10834	0.7
307.14349	0.9
309.12329	7.2
309.15530	0.3
310.12888	8.0
311.13846	17.6
312.14603	3.4
313.11871	2.5
313.15527	5.4
319.10733	7.5
319.14218	0.7
320.11591	1.4
321.12268	5.7
321.15329	0.5
322.12939	0.6
323.13910	1.6
324.14813	0.8
325.15558	0.6
327.13797	0.5
329.15225	0.6
331.13104	1.0
336.10861	0.8
337.11859	4.2
337.15396	0.6
338.12546	2.0
339.13437	6.2
340.14056	0.7
341.15036	1.2
345.14594	1.8
351.13364	2.3
352.14078	0.8
353.14944	2.4
354.11899	0.9
354.15939	0.6
355.12796	0.8
355.16861	0.6
357.14581	1.1
358.15662	0.6
365.15222	0.9
367.16592	0.9
369.14392	1.8
370.15213	0.6
371.16000	1.6
377.14957	0.9
379.12805	1.0
380.13733	0.6
381.14590	1.1
383.16010	1.0
386.18243	5.1
393.14447	0.7
395.16141	4.2
397.17819	0.9
399.15674	0.9
400.16660	0.9
409.17950	1.0
411.15521	0.8
413.16928	2.0
417.14740	0.7
418.18097	0.4
419.16199	1.6
420.16574	0.5
423.15552	1.7
425.17404	1.0
427.19034	0.6
431.18246	0.9
434.16971	0.6
435.15384	2.5
436.16824	0.7
437.16977	3.5
438.17865	1.4
439.15002	1.3
440.15771	0.7
441.16360	2.7
442.17416	0.7
445.13965	1.1
446.14612	0.8
447.15356	0.6
453.16571	7.5
454.17258	4.3
455.18121	9.7
456.18704	2.3
458.17166	0.6
459.17896	0.8
460.18811	0.6
463.14874	4.4
464.15613	2.7
465.16779	1.8
467.20169	1.3
471.17581	3.7
472.18436	0.5
473.19223	0.6
481.15970	21.7
482.16757	9.1
483.17566	5.7
499.16965	4.0
500.18015	1.3
501.18524	0.6
513.17926	4.0
514.19336	1.3
515.20227	1.8
529.21576	1.3
531.22772	0.5
539.20227	1.4
540.21198	1.0
557.21246	31.4
558.22028	7.4
559.22705	2.9
560.23529	1.2
576.23083	0.7
578.25000	0.9
584.20563	0.6
586.21863	0.9
589.23914	5.9
590.23871	0.7
591.25543	2.0
596.26062	2.5
602.21088	0.9
603.21362	0.7
604.22980	1.9
606.23962	0.7
617.26038	1.0
618.24390	0.6
622.23816	13.9
622.33435	0.9
623.24237	1.3
624.25385	1.2
634.24512	0.5
636.25537	1.3
638.23242	1.0
640.24896	3.6
654.26440	11.6
655.26855	0.8
662.28070	0.7
672.31152	2.2
680.28210	1.1
698.29138	100.0
699.29462	9.4
707.26581	0.7
719.29376	0.5
725.27808	2.1
730.31738	43.9
731.32245	4.3
735.32788	0.6
743.29175	7.8
744.28473	0.6
761.30133	3.4
762.30988	0.5
775.31903	2.5
779.31262	13.2
780.31531	1.0
795.34369	1.4
811.33893	4.3
819.34656	2.7
837.34766	1.6
855.36749	3.3
869.38019	0.7
887.39612	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	886.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	1.9
67.05495	54.4
67.51172	0.6
68.05819	0.9
69.03088	0.8
69.03426	9.2
69.07058	23.0
70.06553	0.8
71.01333	0.7
71.04968	3.5
73.02882	1.7
77.03910	0.6
79.05481	27.9
80.05806	0.5
81.03406	11.0
81.07043	31.9
83.04967	7.4
83.08607	13.0
83.53274	0.5
84.08132	7.3
85.02888	6.6
85.06530	2.8
87.04446	2.4
91.05465	18.5
93.07030	21.2
95.04948	8.5
95.08590	13.5
97.02299	0.9
97.02876	10.7
97.06538	5.0
97.09560	1.1
97.10152	17.4
98.20702	1.2
99.04391	0.7
99.08066	1.2
103.03922	1.1
103.05424	0.7
105.04525	0.6
105.07008	12.6
107.04942	6.9
107.08575	15.7
109.02877	0.9
109.06500	4.4
109.10139	35.5
110.10449	0.6
111.04475	1.3
111.08078	3.9
113.62647	0.5
114.09169	0.8
115.05426	0.9
116.04743	0.8
116.06215	0.6
117.06994	7.4
119.04916	1.0
119.08569	14.4
121.06489	3.7
121.10120	6.8
123.04415	0.8
123.08037	4.0
123.11681	1.3
125.09610	14.6
128.06207	1.1
129.05452	2.5
129.06963	2.6
130.07748	1.3
130.08617	14.6
130.09642	1.0
131.04942	0.6
131.08543	7.7
133.06480	3.4
133.10103	8.0
135.08061	3.2
135.11687	4.8
137.09636	4.1
139.11093	0.8
141.07004	0.9
142.07744	0.7
143.08539	2.5
143.10634	0.6
145.06389	1.0
145.10110	6.2
147.08022	5.6
147.11649	3.4
149.09601	2.3
149.13216	1.7
151.11168	2.2
153.09071	1.1
153.12729	1.5
155.08592	0.9
155.10571	1.3
157.08545	1.0
157.10094	3.1
159.11684	2.9
160.09673	0.6
161.09581	2.6
161.13164	1.1
162.10353	0.8
163.11160	5.1
163.14833	0.8
165.09123	1.7
165.12720	0.8
169.12231	1.3
171.10179	0.9
171.11566	1.4
173.09596	1.5
173.11707	9.8
173.13181	0.9
175.11186	2.7
177.12717	1.9
179.10669	0.9
181.12210	1.6
187.11235	1.0
189.11226	3.3
189.12686	1.1
191.10641	2.1
193.12199	2.2
195.13699	1.0
196.69620	0.6
199.13199	5.1
199.14784	0.7
205.12198	2.0
209.11684	3.1
211.13319	1.2
223.13252	17.5
227.12732	8.3
229.14307	31.6
245.19049	1.5
249.14853	3.5
253.14381	2.9
255.17513	0.9
257.13821	1.2
257.17380	0.9
261.18451	0.7
263.20065	1.4
265.14407	1.1
267.15805	4.0
269.17538	0.8
273.18445	13.1
275.19885	0.9
283.15366	3.9
291.19495	100.0
292.19873	2.5
294.12943	0.6
297.49332	0.6
301.16391	8.3
313.27084	1.0
335.25647	2.2
336.26071	0.6
347.22189	3.0
365.23178	40.2
366.23557	1.4
390.26358	0.8
399.23685	12.3
439.26617	0.7
489.32166	2.9
501.32553	0.7
504.37720	0.8
507.33090	2.5
519.33118	33.1
520.33435	1.1
527.36945	1.8
555.33740	0.7
557.34375	1.2
562.41357	1.6
573.33954	2.5
591.35150	7.4
609.36139	1.4
689.42523	15.6
724.51276	0.7
886.55933	0.7
887.49957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.2
67.05495	59.1
69.03414	5.0
69.07062	13.1
71.04986	4.7
71.08612	1.6
71.80015	1.3
71.80379	1.3
73.02895	7.0
77.92902	1.1
79.05479	37.5
81.03407	84.7
81.07044	60.7
82.07359	1.4
83.04967	6.4
83.08605	22.6
85.02892	25.7
85.06524	2.8
88.43234	1.1
88.43808	1.3
91.03942	18.9
91.05466	31.4
93.07031	44.1
95.04953	30.4
95.07988	2.7
95.08590	41.6
97.02882	17.5
97.06538	3.7
97.10147	6.8
99.04441	2.1
99.08066	1.7
105.07021	24.1
107.04932	8.7
107.08572	25.9
107.09232	2.2
109.06512	5.6
109.10144	21.2
111.04424	1.7
111.08067	5.5
115.05439	1.7
116.75536	1.2
117.07004	8.2
119.04919	1.7
119.08567	24.1
121.06507	3.1
121.10123	23.1
123.04421	3.2
123.08073	3.7
123.11691	6.8
125.09619	5.0
127.03916	8.0
129.07013	9.6
131.04871	1.9
131.08537	18.5
133.06465	3.9
133.10114	16.5
135.08017	3.1
135.11662	16.1
137.09601	2.0
137.13243	2.2
142.07706	1.6
143.08577	2.0
145.04927	8.4
145.10106	11.5
146.08122	3.5
147.04437	2.6
147.08041	4.9
147.11644	11.5
149.09663	4.8
149.13248	8.0
155.08463	2.0
157.10097	11.5
159.11679	8.0
160.09778	1.4
161.13190	7.7
163.05991	10.4
163.11169	2.7
163.14845	3.7
165.12714	1.8
171.11710	1.4
173.13225	6.2
175.11177	8.9
175.14836	2.5
177.12851	1.8
180.51636	1.2
187.11255	1.5
187.14806	3.2
189.11191	4.2
189.12775	1.4
193.12210	21.4
205.12193	1.5
205.15710	1.4
207.13873	1.4
222.40361	1.1
227.12726	6.1
235.13324	2.1
242.88983	1.3
243.21106	5.6
249.14882	2.1
259.13272	2.6
261.22095	21.8
267.15866	95.1
268.16309	2.9
273.14828	2.2
273.18143	1.4
279.20035	1.4
279.23230	2.2
285.17023	1.9
301.14346	2.8
301.25278	5.4
309.16949	6.9
317.24844	4.8
335.25739	100.0
336.26273	2.9
362.88211	1.3
375.17773	2.5
415.59030	1.3
421.26007	1.8
435.27344	2.0
435.32690	5.3
453.33585	8.4
457.30011	1.3
468.37497	1.4
469.37833	1.4
471.34726	3.2
509.36270	1.6
526.41705	2.7
527.37170	62.8
528.37408	4.4
545.38257	53.6
546.38458	3.9
569.38263	13.3
582.73663	1.5
602.37323	1.8
611.39313	2.7
623.39069	3.1
635.39050	4.5
653.40289	1.6
671.41724	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	886.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81175	0.3
65.03936	0.9
67.05498	14.4
68.19813	0.3
69.03416	3.0
69.07058	4.1
70.06575	0.3
70.14541	1.4
71.04989	2.7
73.02905	1.3
76.82795	0.3
77.03848	0.4
79.05483	13.0
81.03408	67.0
81.07045	15.5
81.07536	0.6
82.03746	0.4
83.04971	7.9
83.08607	17.1
85.02893	11.7
85.06522	1.3
86.09663	0.3
87.04405	0.4
91.03951	2.7
91.05468	18.5
93.06425	0.4
93.07030	9.9
95.04956	23.5
95.08600	6.7
97.02882	4.4
97.06519	2.7
97.10159	5.2
98.20802	0.5
99.04442	1.0
99.08086	1.2
103.05444	0.6
103.70394	0.4
105.04522	0.4
105.06314	0.7
105.07020	15.2
106.07318	0.4
107.04942	7.8
107.08585	6.4
109.02855	0.8
109.06509	3.7
109.10146	3.3
111.04420	2.6
111.08069	6.9
113.06005	1.1
114.09174	0.5
115.05450	1.4
117.07018	2.8
119.04931	1.1
119.07716	0.8
119.08569	13.9
121.06487	3.5
121.10117	7.3
123.04447	1.2
123.08056	2.9
123.11687	1.3
125.05952	0.6
125.09618	4.2
127.03924	1.5
128.06197	1.1
129.05548	0.6
129.06995	10.3
130.08643	0.4
131.04933	0.9
131.08556	9.6
133.06480	3.7
133.10118	7.1
135.08020	1.3
135.11696	1.0
137.05984	1.3
137.09627	1.9
141.07018	0.7
142.07748	2.3
143.08556	1.3
145.02779	0.4
145.04897	0.7
145.06468	4.4
145.10109	2.9
147.04405	1.0
147.08032	4.1
147.11668	10.3
149.05981	0.4
149.09589	5.3
151.07559	0.4
151.11121	0.6
153.09114	0.9
155.08565	1.0
157.06497	1.5
157.10107	12.3
159.07991	0.8
159.11664	1.1
161.05962	0.9
161.09639	0.7
161.13184	0.4
163.03966	0.4
163.06020	0.8
163.07568	0.4
163.11186	2.5
165.12726	2.0
167.07053	0.6
167.08472	0.5
169.06487	0.4
169.10126	0.9
171.08026	1.3
171.11658	1.1
173.09619	0.8
173.13254	0.5
175.07576	0.5
175.11165	11.7
177.05493	0.8
177.12769	0.5
177.65700	0.3
181.10101	0.6
183.08009	0.8
183.11670	0.5
185.09605	0.9
185.13199	0.8
187.11125	0.6
187.14832	0.4
189.09225	0.5
189.11185	1.5
189.12735	1.2
191.10698	0.4
193.12219	33.1
194.12424	0.5
195.11690	1.0
197.09549	0.6
197.13255	0.6
199.11157	0.8
199.14772	0.4
203.14317	0.4
205.12268	0.9
207.13802	0.5
211.11261	0.8
211.13249	13.0
213.12732	1.3
215.14301	0.7
223.11176	0.7
223.13242	0.7
225.12764	0.6
227.12788	1.5
229.14355	1.3
231.13838	0.8
233.15370	1.0
235.11130	0.6
235.13205	0.7
237.12759	0.9
243.13745	0.5
249.14880	1.5
255.13731	2.6
259.13184	0.6
267.15878	100.0
268.16229	2.4
273.14798	4.9
281.15207	0.7
285.13864	0.6
285.16946	10.9
287.16461	0.6
299.16394	0.5
301.14340	1.0
309.16943	1.3
321.22333	0.4
323.20074	0.6
333.16837	0.6
339.23184	1.4
341.21188	2.0
349.21597	3.3
352.31497	0.5
357.24365	0.8
367.22653	6.6
379.21948	0.4
385.23749	7.4
403.24686	2.8
405.24277	0.9
415.24695	1.3
421.25555	0.4
423.24835	0.5
433.25827	17.5
434.26260	0.9
441.26334	6.8
459.27380	85.6
460.27692	3.7
477.28433	56.2
478.28659	2.2
491.30011	1.1
501.28668	1.9
509.30774	1.3
519.29327	3.1
543.29309	0.9
555.29413	0.5
567.29321	0.8
573.30499	0.6
585.30450	2.3
603.31506	1.5
621.32758	1.8
750.34088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	4.6
67.05495	79.1
68.05840	2.5
69.03421	11.7
69.07059	15.3
71.04979	25.2
71.08618	3.5
79.05017	1.8
79.05487	45.5
81.03406	31.6
81.07046	100.0
82.03697	1.6
82.07359	2.4
83.04971	16.3
83.08604	11.4
85.02892	9.9
85.06526	7.4
85.10204	1.6
87.04450	1.9
88.17971	1.3
91.05466	39.4
91.25693	1.4
92.05762	2.1
93.07027	48.9
95.04961	11.4
95.08597	38.6
96.08904	2.3
97.02872	11.4
97.06525	8.3
97.10146	3.1
99.04447	4.8
99.08089	1.8
105.07017	27.9
107.04949	2.7
107.08582	31.1
108.15849	1.3
109.02859	4.8
109.06520	4.1
109.10140	19.4
111.04424	4.6
111.08063	4.1
112.20140	1.3
114.09161	1.8
117.06976	8.5
119.08553	16.7
121.06477	1.8
121.10129	21.7
123.08037	2.5
123.11678	11.8
125.09664	1.6
127.03885	5.5
129.05469	4.9
129.07011	4.6
131.08537	13.5
133.06470	1.4
133.10104	26.5
135.08014	1.8
135.11687	9.8
139.11153	1.8
143.08566	2.7
145.10138	9.7
147.11658	9.3
149.09682	2.1
149.13228	10.2
151.11195	7.8
157.10098	4.4
159.11667	12.5
160.09695	2.4
161.13243	6.1
163.14888	1.5
169.10112	3.0
169.12234	2.9
171.11603	1.9
173.04428	8.7
173.13252	3.6
175.11179	3.1
175.14851	2.2
177.12735	4.1
183.13814	1.4
185.13249	2.3
187.13251	4.3
189.16605	1.6
193.12230	4.8
194.12549	2.2
195.13782	3.6
201.14697	2.2
211.13260	4.9
212.13551	3.4
227.16316	3.5
243.15846	3.8
257.17426	2.8
261.22263	2.0
267.15887	3.3
268.16162	2.3
269.17502	8.6
285.16995	8.8
286.17230	4.2
287.17542	2.9
301.20276	2.5
313.16220	1.7
313.27362	6.0
314.27740	7.3
315.27756	3.2
335.25723	21.4
339.17957	4.0
365.23474	1.8
369.24277	2.1
413.21524	4.1
437.34164	3.2
443.27847	1.9
445.24332	14.8
482.39084	3.7
485.36078	4.1
503.37268	46.0
511.37238	1.9
517.38544	4.4
523.39661	2.4
524.40143	10.2
525.40747	10.1
526.41016	11.1
529.38849	35.9
530.38525	1.9
536.73053	1.5
561.41431	80.2
562.41785	3.7
627.67419	1.6
637.40985	2.6
647.41162	2.8
655.41681	3.0
673.42828	8.9
705.45392	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	885.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.7
67.05495	76.9
69.03417	9.3
69.07059	14.5
70.06573	1.1
71.02436	2.0
71.04975	18.7
71.08614	1.1
73.02901	1.5
77.03905	0.9
79.05009	2.0
79.05478	39.4
81.03415	17.4
81.07041	100.0
82.07363	1.6
83.04975	11.3
83.08613	7.6
84.08115	2.8
85.02885	5.8
85.06540	8.2
86.96487	1.1
87.04467	1.0
88.43098	0.8
91.04908	1.9
91.05465	31.9
93.07029	45.6
95.04951	9.1
95.07989	2.0
95.08590	32.5
97.02873	9.3
97.06522	5.8
97.10151	4.2
99.04436	3.8
99.08048	2.0
103.03826	1.1
105.07014	20.4
107.04933	2.8
107.07890	1.8
107.08576	23.7
109.02850	3.5
109.06481	3.6
109.10136	16.9
111.04418	3.0
111.08047	2.8
111.11754	1.0
115.05488	1.2
117.07002	8.4
119.08564	11.6
121.06491	1.7
121.10129	18.7
123.08060	1.5
123.11681	13.7
125.09598	1.4
127.03899	6.5
128.08138	1.4
129.05487	4.5
129.06960	1.8
130.08578	4.4
131.08537	11.4
133.06548	1.6
133.10114	23.8
135.00743	0.9
135.08034	1.8
135.11673	12.6
137.09589	1.7
142.07796	1.3
143.08554	2.0
145.10112	7.6
147.11681	6.5
149.09651	1.6
149.13249	9.6
151.11154	7.0
153.12666	1.0
155.08557	1.6
157.10001	1.7
159.11661	8.9
159.18138	1.0
160.09576	1.0
161.13210	4.3
163.14804	1.1
165.12717	1.4
167.08504	1.0
169.12193	1.9
171.11726	1.5
173.04439	9.7
173.13234	4.0
175.11165	1.8
175.14713	1.1
177.12715	5.2
183.11633	1.4
183.13837	2.2
185.13222	1.9
187.13293	4.5
187.14799	2.2
193.12224	1.0
195.13745	2.6
201.14841	2.5
213.16475	1.3
227.16463	1.7
229.14311	1.4
243.15878	5.0
243.21115	1.0
253.14232	1.4
257.17453	2.6
259.20557	1.1
261.22128	3.0
267.16074	1.2
269.17413	8.2
283.15143	1.0
291.19327	1.3
301.19974	3.0
313.27353	1.7
333.23947	1.0
335.25748	37.5
336.26157	1.5
339.18036	1.3
369.24283	2.5
413.21561	3.7
445.24252	8.0
485.36115	1.5
501.39249	1.2
503.37238	57.1
504.37506	2.9
517.38684	4.4
529.38751	27.6
530.38977	1.2
561.41418	91.5
562.41772	5.7
639.81970	0.9
647.41425	2.2
655.42261	1.6
660.47717	1.6
673.43048	6.4
691.44312	2.0
705.45502	21.5
706.45697	1.7
717.38629	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	883.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.1
67.05491	18.3
68.99775	2.3
69.03413	42.5
69.07054	17.3
70.06596	0.6
70.67501	1.9
70.67852	0.8
70.74203	0.6
71.01319	1.1
71.04974	9.8
73.02900	9.4
75.96233	0.6
79.05473	13.9
81.03400	34.9
81.07040	32.9
81.07529	1.3
82.07388	0.6
83.01331	1.4
83.04977	3.5
83.08599	6.6
85.02887	100.0
85.06525	1.4
86.03217	1.4
87.00812	31.9
87.04436	1.8
87.78006	0.5
91.03927	1.6
91.05461	14.7
93.06421	1.2
93.07024	25.5
95.04961	4.4
95.08586	39.8
96.08878	0.9
97.02870	38.7
97.06505	3.6
97.10148	6.5
99.04431	16.9
99.08076	2.4
101.02350	1.2
103.03928	0.7
104.50455	0.6
105.01843	45.8
105.07012	20.2
107.04927	1.9
107.08567	36.3
108.08910	0.8
109.02854	37.7
109.06503	4.1
109.10135	50.2
110.03191	0.8
111.00796	0.8
111.04418	3.0
111.08062	2.4
115.03899	3.1
117.01810	3.5
117.06983	4.1
119.08553	23.6
119.09391	1.2
121.06484	3.0
121.10117	29.7
123.04401	0.8
123.08086	2.2
123.11682	24.8
125.02383	0.8
125.05934	1.0
125.09625	9.2
125.48950	0.7
127.03886	82.0
127.11176	1.1
128.04225	0.7
129.01805	5.6
129.05458	2.4
129.07027	2.3
131.07561	1.0
131.08527	8.6
133.10100	24.3
135.08041	3.5
135.11661	25.3
137.05904	1.0
137.09578	1.3
137.13231	12.0
139.03889	0.7
139.07507	0.9
139.11156	1.3
141.07014	1.0
142.07805	1.3
143.08545	6.0
145.04932	34.2
145.10101	12.9
147.02896	3.1
147.04367	0.8
147.06567	0.8
147.08002	2.2
147.11655	16.2
149.09596	3.3
149.13225	12.8
151.07552	1.7
151.11163	1.1
151.14807	1.5
153.05461	0.7
153.09113	1.6
153.12781	1.2
155.08519	2.4
156.09364	0.8
157.10121	8.8
158.10883	0.9
159.02853	20.9
159.08046	1.2
159.11662	14.1
161.09590	2.2
161.13231	11.4
163.07542	2.8
163.11186	1.8
163.14795	6.5
165.09099	1.4
165.12729	0.9
165.16518	0.7
167.10667	1.2
169.10092	3.3
171.02850	1.1
171.07901	0.9
171.11658	8.4
173.09560	1.5
173.13226	9.9
175.11169	2.2
175.14793	6.3
177.03984	1.3
177.09094	3.1
177.12721	1.5
177.16331	3.8
179.08452	0.7
179.10689	1.3
179.14322	0.8
179.17960	0.7
181.10118	1.4
182.10829	0.6
183.11662	3.6
185.13263	6.0
187.11151	1.3
187.14774	11.6
189.03900	3.1
189.12744	2.1
189.16345	9.1
191.10648	1.9
191.14273	1.6
191.17894	9.5
193.12282	1.8
193.19482	1.2
197.13271	3.3
199.11139	0.6
199.14777	6.3
201.12823	1.5
201.16364	7.8
203.10643	0.7
203.14264	1.8
203.17905	8.8
205.12233	1.3
205.15913	1.1
205.19513	1.6
207.17426	2.1
209.13353	1.3
211.14845	2.9
213.03886	8.1
213.12762	1.1
213.16273	4.6
215.14407	2.2
215.17987	3.1
217.12222	1.8
217.15839	1.5
217.19466	2.8
219.13794	2.9
219.17397	0.7
221.15352	0.7
223.14804	1.1
225.07446	0.7
225.16455	1.8
227.14404	0.8
227.17953	2.9
229.15887	2.5
229.19525	1.7
231.04944	32.7
231.13808	2.1
233.15381	2.7
237.16382	1.1
239.18015	2.1
241.15869	1.2
241.19562	2.9
243.17514	0.7
243.21059	3.2
245.15373	3.4
247.16898	6.0
249.05997	11.9
249.18753	0.8
253.07047	1.4
253.19435	2.3
255.21101	3.2
257.19046	1.0
259.17072	1.3
267.15823	0.9
267.21219	1.0
269.22617	1.8
271.08060	0.8
271.16919	1.2
273.18488	1.0
275.20181	2.2
279.21097	1.4
281.19424	0.8
281.22656	1.8
283.20825	0.7
283.24133	1.5
285.18369	2.0
285.21970	0.9
293.22604	1.7
295.21033	0.7
295.24219	2.6
297.22150	1.4
299.20139	1.8
299.23526	1.1
301.21552	2.0
301.24991	0.7
309.25525	1.0
311.23703	2.3
313.21573	2.3
313.25290	2.6
315.23135	5.1
327.23083	0.8
329.24643	0.8
331.26215	1.4
339.26834	1.1
348.10056	0.7
351.26938	1.3
355.26309	2.2
357.24149	2.3
363.26752	1.0
369.27820	10.7
373.27386	2.7
377.27658	0.8
377.32068	2.0
381.27737	1.9
383.29437	0.9
387.28906	3.0
391.28485	3.3
391.33704	2.2
395.33139	2.3
399.29050	2.4
401.31821	2.0
407.33282	3.8
409.34625	6.7
417.29929	1.1
419.33005	10.1
425.34183	2.1
427.35284	0.8
437.34073	42.4
438.34543	2.5
439.35239	1.2
440.35733	0.8
455.35135	41.0
456.35516	2.4
473.36188	40.0
474.36557	2.5
541.35168	2.3
559.36279	1.7
612.22931	0.7
617.40430	1.2
635.41315	1.8
865.45361	5.2
883.45685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.54
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	0.4
67.05493	7.7
69.03419	1.8
69.07056	4.7
69.47440	0.2
69.71532	0.2
69.71842	1.9
71.04973	1.5
71.08621	9.7
72.08933	0.3
73.02916	1.2
74.09676	0.3
79.05477	4.5
81.03406	21.6
81.07044	11.4
82.03680	0.4
82.07356	0.4
83.04966	4.7
83.08608	11.5
83.77520	0.2
85.02895	11.2
85.06497	0.8
85.10171	6.0
86.74278	0.2
86.93317	0.3
87.04420	0.5
89.05982	0.6
91.03442	0.2
91.03949	2.8
91.05462	6.6
93.06490	0.3
93.07021	4.0
93.92062	0.3
95.04955	9.2
95.08594	10.1
96.04461	0.3
96.05257	0.2
96.08868	0.3
97.02889	3.4
97.06493	1.2
97.10160	3.0
99.04394	0.4
99.08047	0.3
99.11679	0.3
103.07558	0.4
105.07017	5.8
105.64128	0.3
107.04955	1.5
107.08585	2.6
109.06505	1.4
109.10143	4.9
111.04439	1.2
111.08066	4.5
111.11674	0.4
112.78494	0.2
113.05942	0.7
114.97312	0.2
115.05444	0.3
117.06960	0.8
119.08562	5.7
121.06453	0.6
121.10126	2.6
121.66779	0.2
123.07997	0.8
123.11691	2.5
125.09527	0.3
127.03837	1.0
129.06987	3.3
131.08549	3.3
133.06415	1.0
133.10112	3.8
134.25969	0.3
135.11638	0.7
136.11911	0.2
137.09566	0.8
137.13193	0.8
139.14639	0.2
142.07669	0.6
145.04874	0.9
145.10039	0.8
147.07982	1.0
147.10558	0.4
147.11656	5.5
149.09602	2.4
151.11177	0.3
157.10107	4.6
163.05965	1.1
163.11121	0.9
164.11513	0.2
165.12759	1.3
175.11171	6.6
193.12215	19.9
194.12538	0.6
200.66063	0.2
205.72231	0.2
211.13260	23.2
212.13580	0.6
216.70903	0.2
221.22527	0.2
227.12573	0.3
239.23654	1.2
249.14874	0.3
257.24713	1.0
263.33752	0.2
267.15891	9.0
268.16156	0.3
283.15454	1.1
284.15714	0.8
285.16922	23.5
286.17261	1.1
313.27313	31.7
314.27658	2.2
315.27881	0.3
429.21179	0.8
465.35742	0.4
505.38824	7.7
506.39114	0.7
521.38422	0.7
522.38593	0.9
523.39862	100.0
524.40186	8.2
606.28296	0.3
607.29205	0.4
608.29608	0.2
614.51331	0.3
667.44012	0.8
707.38525	0.2
858.67267	0.3
882.49341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.9
67.05495	20.0
69.03423	3.8
69.07058	8.6
71.01331	0.3
71.04983	3.6
71.08620	18.3
73.02910	3.4
73.06542	0.5
74.09717	0.3
75.04473	0.4
76.73544	0.3
77.03921	0.4
79.05016	0.5
79.05479	13.3
81.03406	40.9
81.07043	24.7
82.07380	0.4
83.04967	10.4
83.08605	20.5
85.02891	28.4
85.06547	1.5
85.10168	11.1
87.04446	1.1
89.06019	0.8
91.03946	7.7
91.05466	20.7
93.07030	10.1
95.04957	15.8
95.08591	19.1
97.02876	8.6
97.06520	2.3
97.10154	5.4
99.04443	1.1
99.07504	0.3
99.08081	1.2
99.11699	0.7
103.03959	0.3
103.05447	0.4
103.07564	0.8
105.07015	12.6
107.04945	3.8
107.08573	4.5
109.02857	0.6
109.06501	3.4
109.10137	8.3
110.10493	0.3
111.04430	1.7
111.08064	6.6
111.11677	0.6
113.05984	1.5
114.09153	3.2
115.03912	0.3
115.05434	1.2
117.06985	0.8
119.04897	0.4
119.08566	12.3
121.06482	1.1
121.10131	6.2
121.10958	0.5
123.08070	1.5
123.11689	4.4
125.09615	1.4
125.13239	0.3
127.03894	3.0
127.07540	0.5
128.06126	0.3
129.05531	0.4
129.06989	6.2
131.08543	8.2
133.06480	1.6
133.10106	7.2
135.08017	0.3
135.11661	0.3
137.06000	0.4
137.09584	0.9
137.13260	1.2
138.65179	0.3
139.11119	0.4
141.06966	0.3
142.07756	1.8
145.04929	2.7
145.10112	1.3
147.08020	2.0
147.11659	10.9
149.09601	4.4
151.11110	0.5
157.10112	10.2
160.09666	5.4
163.06001	3.5
163.11194	0.7
165.12706	2.0
175.11163	10.8
180.08585	0.3
193.12210	28.4
194.12505	0.5
211.13261	43.7
212.13635	0.6
221.22626	0.4
227.12448	0.4
239.23761	1.4
246.64293	0.3
249.14752	0.4
253.14371	0.3
257.24713	2.1
267.15872	17.3
285.16922	58.5
286.17233	1.3
313.27316	61.5
314.27676	1.8
355.17291	0.3
465.35840	0.4
492.37769	0.3
505.38812	14.9
506.39490	0.6
523.39874	100.0
524.40106	4.2
650.80713	0.3
667.43695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	0.6
67.05495	13.0
69.03427	2.6
69.07058	6.6
70.12052	1.4
70.24008	0.2
70.54115	0.3
71.04991	2.0
71.08623	15.7
73.02911	1.9
73.06527	0.3
73.96246	0.2
75.04439	0.3
75.04980	0.2
79.05482	8.6
81.03407	25.9
81.07047	17.9
83.04495	0.3
83.04968	5.5
83.08607	14.4
85.02895	16.8
85.06506	0.9
85.10172	10.5
87.04431	0.9
89.06010	1.4
89.83700	0.2
91.03431	0.3
91.03946	5.0
91.05467	12.7
93.07033	7.5
95.04953	9.8
95.08593	14.9
97.02330	0.4
97.02879	5.9
97.06514	1.9
97.09575	0.3
97.10154	4.6
99.04442	0.7
99.08052	1.0
99.11671	0.6
103.07533	0.8
105.07018	8.4
107.04942	2.9
107.08574	3.3
109.02806	0.5
109.06487	2.1
109.10147	7.5
111.04423	1.3
111.08060	4.4
111.11664	0.6
113.05991	1.3
115.05403	0.7
117.06981	0.8
117.09126	0.3
119.04874	0.3
119.08567	7.9
121.06462	1.0
121.10126	4.1
123.08011	1.0
123.11703	2.7
125.09578	0.8
125.13264	0.3
127.03880	1.7
129.06075	0.3
129.06978	4.6
131.08551	5.0
133.06425	1.1
133.10109	5.6
135.08014	0.3
135.11653	0.5
137.09584	0.8
137.13216	0.9
142.07719	1.0
145.04941	2.2
145.10095	0.6
147.07994	1.5
147.10551	0.4
147.11659	6.5
149.09587	2.7
151.11119	0.4
157.08871	0.3
157.10120	6.5
163.05992	2.1
163.11052	0.3
165.12808	1.6
165.16347	0.3
166.07167	0.4
175.11163	7.2
184.07401	0.4
193.12216	18.9
194.12581	0.4
211.13268	21.1
212.13611	0.4
221.22594	0.3
231.50795	0.3
239.23621	1.5
248.07195	0.3
249.14812	0.4
257.24704	1.3
267.15878	12.3
285.16931	32.8
286.17261	0.7
298.27289	0.4
313.27322	66.1
314.27618	2.0
429.20935	0.3
505.38800	17.1
506.39108	0.5
523.39880	100.0
524.40204	4.5
667.44366	0.8
801.10461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.4
65.03935	0.7
67.05492	3.8
67.45913	0.2
69.03419	10.5
69.07056	2.5
69.47840	2.3
69.56951	0.2
71.01344	2.7
71.04980	64.4
72.05292	0.2
73.02903	7.9
73.06558	0.3
75.04465	5.1
79.05480	2.8
81.03419	2.1
81.07044	6.4
83.04967	24.8
83.08599	1.2
85.02892	100.0
85.06526	0.5
86.03221	0.3
86.06061	0.6
87.04458	2.9
89.06020	0.3
91.05458	2.9
93.07033	5.4
95.01331	0.3
95.04957	5.6
95.08590	9.3
97.02876	11.6
97.06513	1.6
97.10153	0.6
99.04441	5.7
99.08070	2.3
101.02375	0.2
101.06004	1.5
103.03940	1.3
105.07005	4.1
107.04945	0.8
107.08575	10.7
109.02879	1.0
109.06519	1.5
109.10145	6.4
111.04425	23.2
111.08094	0.3
111.11720	0.4
113.02361	0.6
113.06003	2.5
115.03914	9.1
117.05475	2.0
117.06945	0.5
119.08564	4.6
121.06491	2.1
121.10123	8.9
123.04411	1.1
123.08044	1.1
123.11689	3.3
125.06012	1.0
125.09612	4.4
127.03880	2.8
127.07548	0.7
127.11188	1.3
129.05457	33.8
130.07741	0.2
131.08551	1.9
133.04936	2.1
133.06487	0.5
133.10095	4.4
133.10994	0.4
135.04399	0.9
135.08032	3.5
135.11671	5.7
137.05974	0.7
137.09612	1.4
137.13216	2.4
139.03886	2.0
139.11194	0.5
141.05467	0.9
143.03455	0.4
143.06998	0.4
143.08527	0.8
143.10657	0.3
144.09377	0.3
145.04953	1.5
145.10094	4.1
147.06503	14.9
147.07922	0.6
147.11667	3.1
149.05934	0.9
149.09583	5.0
149.13235	2.9
151.03818	0.3
151.07544	0.6
151.11143	1.0
151.14830	0.3
153.05449	3.9
153.12672	0.3
157.04935	2.9
157.10091	1.6
159.06520	1.3
159.07939	0.3
159.11665	3.8
161.05981	0.3
161.09651	0.8
161.13246	2.6
163.06009	1.8
163.11180	1.1
163.14801	1.3
165.05463	0.7
165.07620	0.5
165.09039	0.4
165.12811	0.3
167.07045	0.2
167.10680	0.6
167.14206	0.2
169.04942	0.7
171.06519	3.7
171.11629	1.2
173.09612	0.2
173.13266	2.1
175.06050	0.5
175.07483	0.4
175.11205	0.6
175.14804	1.5
177.05453	0.3
177.12733	0.3
177.16365	0.6
179.07034	0.7
179.14256	0.4
181.04903	0.4
183.06488	1.0
183.11699	0.4
185.13260	0.8
187.05942	0.5
187.11279	0.2
187.14810	1.9
189.07576	0.5
189.16348	1.9
191.14314	0.6
191.17915	11.2
193.08595	0.5
193.19450	0.3
195.06522	0.7
197.08109	0.6
197.13210	0.6
199.05928	0.5
199.14755	1.2
201.07553	1.2
201.12660	0.3
201.16359	2.7
203.14296	0.5
203.17961	2.6
205.15872	0.5
205.19533	0.4
207.06514	0.4
207.17505	0.5
209.15334	0.4
211.09636	0.5
211.14827	0.5
213.07579	1.2
213.16339	1.5
215.14291	0.6
215.17975	1.1
217.07014	0.5
217.10756	0.5
217.15921	2.2
217.19424	1.2
219.13737	0.5
219.17488	0.6
219.20959	0.3
221.08083	0.5
223.14671	0.2
225.07541	7.0
225.16429	0.4
227.17931	0.5
229.15912	0.5
229.19568	0.3
231.08566	0.4
231.17430	3.2
231.20917	0.3
233.10251	0.3
233.15363	1.6
233.18965	0.3
235.16914	1.5
237.16273	0.3
239.09109	13.0
241.19464	0.3
243.08615	5.8
243.17374	0.4
243.21016	0.3
245.18871	0.3
247.20528	0.3
249.18445	1.4
253.19707	0.2
255.21083	0.4
257.10153	5.0
257.22656	0.8
261.09677	4.2
261.18594	0.7
269.22614	0.2
271.20633	0.4
275.11200	4.8
279.10718	5.2
279.28754	0.2
281.22733	0.3
282.12595	0.2
285.22086	0.5
285.25269	0.2
287.23660	0.4
293.12280	4.0
299.23773	0.4
303.23206	0.2
305.24631	0.2
311.23575	0.3
313.25143	0.3
335.27420	0.6
341.28384	0.9
351.30432	0.7
353.28326	0.7
369.31558	1.4
371.13663	0.3
403.33615	0.5
421.34589	9.9
422.34955	0.3
439.35678	38.7
440.35828	1.0
457.36716	36.0
458.37048	0.8
549.39069	0.5
571.39624	0.4
589.40924	9.5
590.42322	0.2
653.98596	0.2
717.45215	0.4
735.46625	11.4
863.50989	0.9
881.51672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.3
65.03926	1.6
67.05492	5.1
68.99776	0.2
69.03415	11.8
69.07057	2.5
70.06567	0.4
71.01345	2.0
71.04979	63.2
71.79748	0.4
72.05304	0.5
72.35052	0.2
73.02902	8.3
74.09695	0.6
75.04467	4.7
79.05477	5.7
79.05888	0.2
81.03407	3.0
81.07042	8.7
83.01360	0.3
83.04963	25.9
83.08605	1.7
85.02888	100.0
85.06522	0.6
86.03238	0.6
86.06056	0.8
87.04446	3.5
91.05460	8.2
93.07027	6.9
95.04456	0.1
95.04948	6.4
95.08593	9.9
97.02874	13.0
97.06516	2.2
97.10144	0.9
99.04434	5.6
99.08091	1.8
101.02358	0.3
101.05988	1.4
103.03946	1.2
105.07012	7.5
107.04938	1.3
107.08572	36.1
108.08895	0.6
109.02842	1.6
109.06496	5.1
109.10136	7.8
111.04421	26.1
111.08049	0.9
111.11687	0.3
113.02341	0.8
113.05978	3.0
114.09179	0.2
115.03911	10.4
117.05461	2.3
117.07023	0.8
119.04913	0.3
119.06039	0.5
119.08556	6.0
119.09382	0.4
121.06479	4.0
121.10120	9.5
123.04433	1.2
123.08044	1.5
123.11688	3.4
124.12102	0.3
125.06011	1.8
125.09608	18.2
126.09959	0.3
127.03905	3.1
127.07535	0.7
127.11170	1.0
128.06172	0.3
129.05453	38.6
130.05769	0.4
131.06978	0.5
131.08530	2.4
133.04938	2.2
133.06487	0.8
133.10098	5.2
135.04424	0.7
135.08041	3.4
135.11667	6.7
136.06248	0.2
137.05974	1.2
137.09555	1.5
137.13226	2.0
139.03859	2.1
139.11147	0.6
141.05438	0.8
143.03389	0.6
143.07008	0.4
143.08565	1.2
143.10602	0.2
145.04944	1.4
145.10095	5.0
147.04555	0.5
147.06499	14.4
147.07991	0.9
147.11665	3.7
149.05969	0.9
149.09593	10.2
149.10809	0.5
149.13246	2.6
151.03905	0.3
151.07520	0.8
151.11165	0.8
151.14862	0.3
153.05444	5.2
155.07027	0.4
156.09239	0.3
157.04962	3.0
157.10083	1.7
159.06523	1.8
159.07956	0.5
159.11659	4.0
161.04529	0.3
161.05861	0.3
161.09631	1.0
161.13220	2.8
163.03897	0.4
163.05960	1.2
163.11151	1.1
163.14809	1.8
165.05450	0.7
165.07558	0.6
165.09073	0.3
165.12805	0.3
167.07048	0.7
167.10641	0.4
169.04947	0.6
169.10075	0.4
171.06506	3.4
171.11659	1.3
173.09566	0.5
173.13210	2.5
175.06035	0.5
175.07494	0.5
175.09816	0.2
175.11195	0.9
175.14769	1.6
177.05498	0.5
177.08998	0.3
177.12753	0.4
177.16362	0.8
179.07028	0.9
181.04916	0.4
181.08669	0.3
182.10835	0.2
183.06534	1.4
183.11678	0.3
185.09547	0.2
185.13275	1.1
187.05847	0.3
187.11267	0.4
187.14780	2.8
189.07582	0.5
189.12692	0.7
189.16370	3.1
191.10568	0.3
191.14319	0.7
191.17909	12.0
192.18280	0.4
193.08635	0.7
193.12236	0.3
195.06549	0.9
197.08133	0.4
197.13226	0.6
199.05980	0.4
199.09650	0.3
199.14790	1.7
201.07547	1.6
201.12811	0.3
201.16344	2.8
203.14261	0.4
203.17906	2.7
205.15947	0.6
205.19484	0.3
207.06523	0.8
207.17401	1.0
209.13239	0.3
209.15291	0.4
211.09613	0.3
211.14896	0.4
213.07439	1.1
213.16357	2.0
215.14342	0.7
215.17851	1.1
217.06828	0.3
217.10609	0.4
217.15848	2.7
217.19397	1.3
219.13776	0.4
219.17375	0.4
221.08072	0.6
223.14951	0.2
225.07550	8.6
225.16357	0.3
227.17923	0.6
229.15833	0.3
229.19530	0.7
231.08591	0.5
231.17395	3.6
231.20946	0.4
233.15273	1.3
233.19035	0.5
235.16925	1.2
237.16328	0.3
239.09111	12.6
239.17789	0.3
241.19432	0.4
243.08611	6.6
243.17403	0.4
243.21158	0.3
245.18896	0.3
249.18478	1.5
250.73212	0.2
253.19414	0.2
255.21170	0.4
257.10141	6.1
257.13876	0.4
257.18973	0.2
257.22507	1.4
259.20532	0.3
261.09668	4.3
267.20969	0.4
271.20551	0.5
275.11209	6.0
279.10703	6.3
283.20618	0.3
285.22006	0.5
286.94574	0.2
293.12268	3.8
295.24118	0.3
297.25845	0.3
309.25607	0.3
313.25119	0.3
315.26764	0.8
335.27313	0.3
341.28323	0.8
351.30411	1.2
353.12613	0.3
353.28351	0.8
369.31503	1.5
403.33673	1.3
421.34601	12.9
422.34875	0.8
439.35654	31.8
440.35840	1.8
453.33902	0.3
457.36688	27.9
458.36877	1.8
531.38147	0.4
535.38019	0.4
549.39221	0.6
553.38275	0.6
567.40192	0.7
571.39862	1.6
585.41669	0.4
589.40906	7.7
590.41156	0.4
681.43347	0.5
699.44244	0.5
717.45209	0.9
735.46600	8.6
736.46320	0.7
845.50500	0.4
863.51556	4.5
881.48737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.5
65.03916	0.5
67.01721	0.3
67.05495	15.5
69.03438	0.4
69.07057	5.5
69.53223	0.4
71.04962	0.6
71.08622	10.1
72.08131	0.9
73.02911	1.0
73.06548	0.5
79.05481	21.3
81.03401	2.5
81.07042	15.8
83.04970	4.4
83.08607	5.4
85.02888	2.7
85.06526	0.7
85.10161	6.1
91.03942	1.7
91.05466	16.7
93.07031	21.1
95.04958	6.4
95.07983	0.7
95.08593	14.3
97.02872	1.6
97.06512	1.5
97.10143	2.9
99.04424	0.4
101.06012	0.5
103.05428	0.4
103.07583	0.4
105.07011	10.8
107.04963	1.7
107.08575	5.5
109.06529	1.8
109.10136	4.3
111.08061	0.5
111.11674	0.9
114.09122	0.9
116.07034	0.4
117.06989	2.7
119.08564	7.3
121.06485	0.8
121.10123	1.5
123.08053	1.9
123.11706	1.7
127.03939	0.6
127.07535	0.5
128.06226	0.6
128.54773	0.3
129.06970	5.3
131.08592	0.8
133.06487	0.6
133.10115	3.6
135.11624	0.7
137.09564	0.4
137.13249	0.8
141.09085	0.4
143.08556	2.5
145.05011	0.6
145.10101	4.1
147.08081	0.7
147.11668	12.5
160.09653	1.5
161.09653	1.4
161.13203	4.7
163.06015	0.5
165.16278	0.3
171.10194	0.4
171.11676	8.9
189.12732	3.0
207.13770	11.3
225.14767	0.7
239.23730	1.2
257.24600	0.9
281.17432	43.6
282.17828	0.9
313.27316	36.5
314.27612	0.8
519.40393	100.0
520.40778	4.3
537.41278	0.9
622.27960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.5
65.03931	0.5
67.05494	10.5
69.03400	1.1
69.07059	6.9
69.57082	2.8
71.04971	1.2
71.08620	14.0
73.02895	1.3
79.05481	11.2
81.03400	1.3
81.07043	14.7
81.07528	0.7
83.04968	1.8
83.08604	10.5
85.02885	3.2
85.06523	0.5
85.09665	0.6
85.10170	8.8
89.05993	0.8
91.03968	1.4
91.05471	3.7
93.07029	18.7
95.04950	3.9
95.08591	27.2
97.02299	0.3
97.02881	3.4
97.06528	2.1
97.10158	2.9
99.04427	2.5
99.08051	0.5
99.11692	0.6
101.05999	0.3
103.07555	1.0
105.07035	3.0
107.04939	4.3
107.08576	14.7
109.06481	1.2
109.10142	6.2
111.04392	0.8
111.08062	0.8
113.05988	0.5
117.06999	5.4
119.08560	6.1
121.06506	2.9
121.10126	7.9
121.67251	0.3
123.08097	0.3
123.11704	2.3
125.05958	1.8
125.09547	0.3
127.03900	0.8
127.07572	0.3
130.07744	1.1
131.08528	0.6
133.10081	2.2
135.08009	1.1
135.11671	31.9
136.12018	0.4
137.13214	0.8
139.07538	1.5
143.08524	0.5
145.04900	0.7
145.10107	16.9
153.12749	0.6
155.08487	0.4
163.11159	43.2
164.11455	0.7
165.16304	0.3
173.09616	0.5
181.10626	0.6
181.12210	8.9
209.11656	1.1
221.07468	0.3
227.12744	47.0
228.13034	0.8
235.12189	0.3
239.23743	1.6
253.14351	1.0
257.24692	1.6
267.15900	0.4
283.15359	86.4
284.15698	1.1
313.27310	82.9
314.27710	2.1
445.68341	0.3
454.34659	0.3
503.62277	0.4
521.38312	100.0
522.38635	2.8
792.66235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.9
67.05499	7.7
69.03407	1.9
69.07058	4.3
71.01309	0.6
71.04987	1.7
71.08618	11.1
71.80827	0.5
71.81210	0.5
73.02908	2.5
77.70192	0.3
79.05479	6.4
81.03410	4.8
81.07043	10.8
83.01328	3.5
83.04972	4.2
83.08604	7.9
85.02892	10.5
85.06500	0.7
85.10165	6.0
89.05996	0.8
91.03936	5.2
91.05459	4.3
93.07033	9.3
95.04946	2.9
95.08593	10.0
97.02871	5.3
97.06527	1.9
97.10161	2.8
99.04435	1.8
103.07536	0.6
105.07007	3.7
107.04937	3.2
107.08574	5.2
109.02837	0.5
109.06519	2.4
109.10143	4.5
111.04414	0.7
111.08041	1.0
111.11702	0.7
117.07007	3.3
119.08571	3.8
121.06456	1.4
121.10129	3.9
123.08039	3.6
123.11643	1.6
125.05938	0.8
125.09602	0.4
127.03899	2.6
129.06969	0.6
130.07710	0.8
131.08508	1.5
133.10065	1.4
134.49588	0.3
135.08023	0.7
135.10738	0.6
135.11664	5.9
137.09555	0.7
137.13188	0.8
139.07535	0.5
143.08527	0.4
144.06549	0.5
145.04922	2.7
145.10107	8.3
147.07993	1.1
151.11136	0.5
153.12659	1.1
155.08498	0.8
159.68793	0.4
163.05989	3.6
163.11156	11.9
173.09608	1.8
181.12172	2.0
191.10606	1.3
209.11705	3.7
227.12701	1.8
239.23615	1.2
257.24683	1.0
283.15359	100.0
284.15674	1.4
313.27313	70.3
314.27646	1.5
441.66010	0.4
521.38318	53.1
522.38702	1.4
534.25055	0.4
880.50848	0.4
881.48523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.5
64.82019	0.2
67.05505	1.0
69.03398	0.3
69.07067	0.5
70.06644	0.2
71.05008	0.2
71.79098	0.4
79.05492	0.6
81.03414	0.4
81.07036	1.1
85.02900	0.4
86.09705	0.4
91.05473	0.8
93.07027	0.8
95.08603	0.5
97.02856	0.4
105.07050	0.4
107.08596	0.6
109.10145	0.2
119.08591	0.5
121.06512	0.3
121.10122	0.3
133.10104	0.3
135.11673	0.3
136.06155	2.9
137.06549	0.3
145.10117	0.5
162.07718	7.2
163.08107	1.1
178.19528	0.2
184.07320	0.6
190.07211	0.2
190.11960	0.2
205.08554	0.3
220.08249	0.3
279.29413	0.2
470.15808	0.2
502.44543	0.2
567.25818	0.7
697.43665	0.4
714.44067	0.4
715.44641	1.6
877.46954	100.0
878.47119	7.6
878.64307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	0.4
65.25491	0.2
67.05492	1.0
69.07058	0.7
71.79350	0.4
73.02884	0.4
79.05479	1.1
81.03407	0.7
81.07046	0.8
82.35477	0.3
85.02893	0.7
86.09682	0.4
89.13912	0.2
91.05479	0.7
93.07031	1.0
95.04957	0.4
95.08608	0.8
97.02906	0.5
105.07021	0.7
107.08598	0.7
108.08956	0.3
109.10162	0.3
111.08086	0.3
119.08540	0.6
121.10154	0.4
131.08592	0.3
134.41190	0.2
135.11694	0.4
136.06168	4.0
137.06570	0.6
142.45117	0.2
143.08632	0.2
145.05086	0.4
147.11804	0.3
153.47432	0.3
162.07729	10.6
163.08246	1.2
163.11166	0.4
182.77271	0.2
184.07346	0.7
190.07159	0.4
220.08360	0.3
223.44785	0.2
334.19025	0.3
335.26215	0.3
336.70840	0.3
427.32056	0.2
454.23822	0.3
541.21851	0.3
567.26135	1.0
669.44330	0.4
714.44519	0.6
715.44702	2.9
779.40607	0.3
791.40131	0.3
824.75018	0.3
859.47955	0.4
877.46967	100.0
878.47302	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	874.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.5
65.03935	3.7
67.05491	100.0
68.05825	1.2
69.03415	8.3
69.07054	43.9
70.06576	1.3
71.01344	1.0
71.04978	7.4
73.02909	1.4
77.03911	1.2
79.05477	60.3
80.19926	0.8
81.03403	12.1
81.07039	96.9
82.07398	1.0
83.04967	13.1
83.08601	24.6
84.48328	0.8
85.02879	5.4
85.06521	4.8
91.03948	1.4
91.05460	56.1
92.05799	1.0
93.07026	68.7
95.04948	14.6
95.08587	43.0
97.02874	4.4
97.06516	18.4
97.07155	1.0
97.10150	17.6
98.21464	1.6
99.04423	1.5
99.08086	3.8
103.05441	2.2
105.07009	49.2
107.04930	12.9
107.05543	1.1
107.08572	54.1
109.02870	2.3
109.06506	9.8
109.10138	43.7
111.04433	1.7
111.08027	8.1
111.08660	0.7
111.11790	1.0
113.09637	2.1
115.05470	2.1
116.07116	0.9
117.06998	20.6
119.04933	1.7
119.08559	35.8
121.06476	6.7
121.09242	1.2
121.10123	26.3
123.04408	0.9
123.08046	5.1
123.11683	7.3
125.09618	16.5
127.03912	2.5
127.17644	0.7
128.06207	2.0
129.06992	9.2
130.07817	1.5
131.08542	27.7
133.06528	2.0
133.10104	32.9
135.08041	8.0
135.11671	17.7
136.06165	9.7
137.09593	5.7
137.13252	1.2
139.07565	1.0
139.11165	1.2
141.06996	3.1
142.07784	1.7
143.08528	7.7
144.09309	1.1
145.06491	2.6
145.10097	24.8
145.11174	1.6
147.08092	3.5
147.11671	17.1
149.06068	1.0
149.09576	19.6
149.13222	14.3
151.11154	4.0
153.09088	1.9
155.08530	3.9
155.10674	1.7
156.09424	0.8
157.10095	7.7
159.08076	1.9
159.11661	19.1
159.12914	1.3
161.09636	2.9
161.13216	6.8
163.11139	11.3
163.14787	1.3
165.09236	0.8
165.12790	3.0
167.08553	1.6
169.10117	5.5
171.10268	1.7
171.11617	6.8
173.04485	2.5
173.05969	0.8
173.09616	2.0
173.11746	8.5
173.13293	9.1
175.11214	2.3
175.14896	1.4
177.12709	4.9
179.08609	0.9
179.14310	2.9
181.10139	1.8
181.12244	2.3
183.11667	4.8
184.07303	1.1
185.13211	3.8
187.11197	3.2
187.13341	1.3
187.14864	3.3
189.11224	7.5
189.12674	1.3
189.16385	1.0
193.12286	0.8
195.11810	1.8
195.13832	5.5
197.09550	0.8
197.13333	3.4
199.14903	1.4
201.12758	2.3
201.16405	1.1
207.13690	0.8
209.13313	1.2
211.14842	1.2
213.12839	1.3
213.14706	1.0
213.16530	2.0
214.76523	0.9
215.14415	1.1
217.15683	1.0
223.14804	1.1
227.12738	22.7
229.14297	20.6
229.19319	4.5
230.08487	1.0
233.19084	1.0
237.16602	0.9
239.17943	4.8
241.19391	1.1
245.13908	2.3
247.20647	3.4
251.16360	1.8
253.18085	1.1
255.15817	6.4
257.18927	11.7
259.20605	1.5
267.15982	2.5
269.17419	33.2
270.17654	1.2
275.20016	66.1
276.20551	1.3
291.19647	1.5
293.17801	1.2
293.20972	7.7
299.23688	0.9
313.21844	1.4
321.24252	1.3
331.22668	5.0
349.23660	60.6
350.24268	1.2
365.23810	0.8
367.24738	14.6
383.24500	1.2
395.56140	0.9
409.25858	8.5
413.21796	2.1
415.29984	0.8
423.27380	25.3
424.27820	1.6
431.27939	1.9
433.30817	2.1
439.27090	1.8
445.29480	2.4
447.31021	1.2
449.29004	8.4
451.32379	2.4
459.30704	0.9
463.30475	25.2
463.36545	1.3
469.33374	2.5
485.32913	2.2
503.33563	20.9
511.35138	0.9
515.37579	1.5
519.33142	4.0
521.34869	6.4
525.35736	6.7
529.35211	7.4
537.34668	1.0
543.36713	60.3
544.37170	2.1
547.36359	2.6
561.37756	17.1
561.46381	1.1
567.31720	1.9
605.42188	0.8
607.34827	3.3
623.42853	20.4
624.43689	0.8
641.44055	17.3
641.53925	1.5
659.44873	2.1
665.39117	0.9
687.40820	2.4
705.42151	1.8
874.49152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.2
65.03922	1.4
67.05495	40.5
67.08802	0.4
68.05830	0.6
69.03406	1.7
69.07059	12.6
71.01339	1.2
71.04983	2.9
71.08605	0.9
71.79156	0.7
73.02907	2.3
74.09644	0.5
77.03947	0.5
79.05480	32.3
80.05807	0.7
81.03429	2.9
81.07044	35.5
82.07387	0.6
83.04964	10.4
83.08604	5.6
83.33970	0.4
85.02890	7.4
85.06521	2.0
91.03946	4.9
91.05463	15.3
93.07030	41.1
94.07362	0.8
95.04958	5.0
95.08593	25.6
96.08907	0.6
97.02884	3.2
97.06515	7.7
97.10155	5.0
99.04446	0.8
99.08069	1.3
105.04516	0.5
105.07012	9.7
107.04950	1.0
107.08575	28.4
109.06500	1.6
109.10142	11.7
109.10856	0.8
111.08064	2.7
111.11698	0.6
115.03912	0.6
115.05432	0.4
116.03020	0.4
117.07001	5.3
119.08562	8.9
120.08885	0.4
121.06487	1.1
121.10133	13.0
123.08033	0.9
123.11681	2.9
125.09619	1.5
127.03890	1.9
129.07027	0.7
130.07758	0.6
131.08549	5.7
133.10114	7.1
135.08015	1.0
135.11676	30.8
137.09624	1.6
137.13312	0.5
143.08534	0.7
145.04933	1.3
145.10092	9.5
147.11662	4.0
149.13211	4.8
151.11206	1.0
153.12729	5.4
157.10086	0.7
159.11670	2.9
161.13202	2.3
163.05984	1.3
163.11162	4.1
163.14812	1.3
165.12718	0.5
171.11635	1.3
173.13199	2.2
175.14806	1.0
177.12688	0.7
177.16411	0.7
181.12206	7.2
185.13263	0.5
187.14857	1.3
199.13269	1.5
199.15031	0.6
205.15866	0.4
227.12755	1.4
227.20053	0.4
229.14439	0.5
243.21054	3.6
253.14322	1.8
255.15881	50.2
256.16235	0.5
257.17477	0.6
259.20425	0.6
261.22107	9.1
269.17419	0.7
317.24881	1.6
335.25760	48.2
336.26157	1.1
359.16159	0.4
405.31393	0.5
423.32318	2.3
441.33426	1.0
459.34494	1.4
497.36084	1.3
515.37262	100.0
516.37610	3.2
533.38245	5.9
677.42371	0.5
874.44067	9.9
875.45453	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	873.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70316	0.4
67.05482	0.4
69.03419	1.6
69.07056	1.2
69.68681	4.4
70.06580	0.6
73.02898	1.5
76.96688	0.5
81.03405	3.5
85.02893	2.2
87.04446	0.8
94.06557	2.1
95.04987	0.7
97.02871	1.2
98.21445	0.7
99.04430	0.8
106.06544	1.6
108.08105	10.3
108.08807	0.8
109.02866	1.4
112.36160	0.4
114.09151	0.9
120.04469	0.5
120.08086	0.7
122.06023	6.6
127.03889	0.9
130.08614	0.6
134.05994	1.0
136.07561	1.7
138.05493	1.1
140.07053	8.2
144.04362	0.6
145.44753	0.4
146.05998	3.0
146.09642	0.8
147.04376	1.1
148.07523	4.9
150.09163	3.0
152.07077	1.4
160.07559	1.1
162.05487	0.8
162.09108	0.7
163.03963	0.7
164.07007	2.5
166.08643	1.8
172.03917	3.0
174.05463	3.4
176.07057	1.4
188.07129	0.8
190.05031	1.5
192.06442	0.8
194.08113	0.8
204.06555	5.5
206.08162	1.7
208.09624	0.7
209.10753	0.7
210.11488	1.8
211.12329	1.7
212.13048	0.9
216.06572	1.2
221.10695	0.9
222.11581	0.9
222.68370	0.5
223.12231	2.9
224.10863	0.8
224.13042	1.7
225.10248	1.3
225.13905	1.5
226.10913	0.7
227.11760	1.5
234.07666	0.7
234.11533	0.5
235.08647	1.5
235.12288	2.3
236.09506	1.6
236.13043	1.0
237.10185	5.6
237.13939	1.6
238.11037	2.7
239.11755	7.7
240.12514	1.5
241.13318	1.0
243.11328	0.5
246.11433	0.5
247.12369	1.0
248.09549	2.2
249.10216	7.6
249.13086	0.6
249.13933	0.7
250.10963	7.3
251.11765	25.6
252.12515	5.2
253.09715	0.9
253.13342	14.4
253.15883	0.9
254.10446	0.6
254.14114	1.1
255.14906	0.9
262.10922	1.1
263.11780	21.3
264.08990	1.3
264.12558	5.0
265.09802	6.4
265.13397	22.4
266.10587	2.2
266.14151	5.2
267.11224	3.8
267.14798	2.9
268.12030	1.4
268.15668	0.8
269.12842	1.2
271.14236	0.5
274.10706	1.0
275.11813	1.8
277.09763	6.6
277.13309	2.3
278.10428	8.5
279.11246	35.6
280.11981	4.9
281.12830	7.1
282.13541	0.7
283.14481	1.2
285.12244	0.6
287.14023	0.9
291.11261	9.6
291.14426	0.7
292.11871	3.8
293.12814	12.5
293.15991	0.9
294.10291	0.5
294.13525	2.2
295.10846	5.6
295.14444	2.6
296.11636	1.5
297.12268	6.5
298.13141	0.8
299.14035	1.7
303.11282	0.5
305.09305	0.5
305.12741	0.8
307.10904	0.9
309.12323	8.6
310.12878	5.9
311.13855	15.0
312.14667	2.0
313.11902	1.8
313.15497	4.4
317.12869	0.7
319.10739	7.2
320.11536	1.1
321.12286	6.9
322.13165	0.9
323.13913	1.0
324.14606	0.8
325.15356	0.8
327.13696	0.7
333.12424	0.6
335.13733	0.9
337.11789	5.2
337.15182	0.6
338.12607	1.2
339.13245	5.5
339.16635	0.5
340.14261	0.8
341.14981	1.5
345.14597	1.4
351.13434	2.2
352.13989	0.6
353.14993	1.3
354.11816	0.7
355.16879	0.8
369.14542	1.7
371.16104	1.2
372.16638	5.5
377.15305	0.5
379.12909	1.4
380.13672	0.8
381.14447	3.2
382.15463	0.7
383.15979	1.2
389.14151	0.5
393.14511	1.4
395.16125	1.8
397.17801	0.7
398.15091	1.1
399.15692	1.8
400.16577	1.4
401.17221	0.7
405.14655	0.6
407.16141	0.7
409.17859	0.8
413.17188	1.2
414.18021	0.5
417.14597	0.6
419.15869	1.4
421.24402	0.8
423.15265	0.7
425.17282	1.5
429.16193	0.7
432.18976	0.7
435.15408	2.5
436.16290	0.8
437.17276	2.9
438.17862	0.8
439.14676	1.1
441.16464	3.0
443.18256	0.7
445.14075	0.9
446.14938	0.6
453.16550	7.6
454.17300	3.0
455.18234	3.5
463.14816	3.9
464.15826	1.5
465.16666	1.2
467.20053	1.0
471.17560	3.9
473.19186	0.7
478.19638	0.6
481.15991	19.7
482.16733	8.2
483.17505	4.7
485.19336	0.6
495.17581	1.1
499.17297	1.6
501.19162	0.7
503.20435	0.8
513.18585	4.6
514.19489	1.3
515.20129	4.5
516.21124	1.6
525.18640	1.2
529.24304	1.0
543.19702	35.0
544.20392	8.4
545.21198	3.2
575.22375	7.1
576.23230	0.9
577.23853	2.2
578.25177	1.2
596.25928	2.1
598.23828	0.7
604.22705	1.0
617.25519	0.7
622.23883	10.6
623.24695	0.6
636.25244	1.3
654.26520	10.3
658.29395	2.0
666.26166	1.5
684.27539	100.0
685.28021	5.3
716.30188	41.3
717.30737	2.9
725.28156	0.8
743.28931	5.7
753.34137	0.6
761.30176	3.1
775.31647	2.0
779.31323	8.4
780.31769	0.8
781.32959	1.2
805.33026	3.2
811.34113	2.3
823.33813	1.4
837.34698	1.3
841.34760	3.6
855.36084	0.7
873.37555	2.7
874.23010	0.6
874.38678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.2
65.03937	5.6
67.05495	100.0
69.03419	11.4
69.07057	74.6
70.06561	2.9
71.01338	1.0
71.04977	7.4
71.89327	0.7
73.02887	2.3
77.03895	1.1
78.04644	0.8
79.05481	69.8
81.03404	17.4
81.07043	83.2
82.07390	0.9
83.04964	12.5
83.08605	20.9
85.02884	6.6
85.06512	3.8
86.09689	1.6
87.04470	1.3
91.03936	1.6
91.05466	69.3
93.07030	64.9
95.01307	1.2
95.04957	20.8
95.05566	1.2
95.08592	49.1
96.08920	1.3
97.02879	8.6
97.06515	25.3
97.10154	19.4
99.04428	2.8
99.08064	3.8
103.03888	0.8
103.05431	2.2
105.04497	1.5
105.07013	57.9
107.04945	13.5
107.08575	46.0
109.02853	4.7
109.06503	9.8
109.10140	38.4
111.04407	1.5
111.08057	7.9
113.09613	2.6
115.05428	3.3
115.07521	0.9
116.04722	0.8
116.06278	1.3
116.07041	1.9
117.07000	22.6
119.04984	0.9
119.08565	41.0
120.08082	1.3
121.06496	6.6
121.10122	18.4
123.04391	1.0
123.08031	5.4
123.11695	3.5
125.05926	1.0
125.09612	18.7
127.03886	3.8
128.06189	2.9
129.05450	3.6
129.06970	9.1
130.07771	1.5
130.08632	1.2
131.04932	0.7
131.08546	28.5
133.06483	2.8
133.10112	29.1
135.08041	8.7
135.11664	16.2
137.09598	15.8
137.13197	0.9
139.11157	1.7
141.06944	4.0
142.01659	0.7
142.07767	2.8
143.08553	9.5
143.10609	1.0
145.04958	0.9
145.06412	2.6
145.08958	1.0
145.10104	24.4
147.08006	3.4
147.11658	16.3
149.09592	29.2
149.13220	9.8
151.11176	5.2
151.47772	0.8
153.09053	1.7
155.08540	4.2
155.10629	2.7
157.08771	1.4
157.10077	8.8
159.07997	2.9
159.11670	18.9
161.09578	3.8
161.13240	8.8
163.11159	14.6
165.09088	2.2
165.12727	1.4
167.08537	1.2
169.10106	4.5
171.10123	2.6
171.11664	8.9
173.04390	0.9
173.09625	1.7
173.11702	8.2
173.13246	8.1
175.11174	5.1
175.14804	2.5
177.12737	5.9
179.10526	1.0
179.14267	8.8
181.10042	2.2
181.12163	1.5
183.11647	4.9
185.09483	0.7
185.13213	4.2
187.11160	4.2
187.14786	2.5
189.11188	12.0
189.12715	1.5
191.14296	1.6
193.12257	2.6
195.11679	1.8
195.13730	3.3
197.13196	4.5
199.11223	1.3
199.13225	1.7
199.14835	2.1
201.12668	2.1
201.14540	0.9
201.16446	1.0
205.12277	1.6
207.13748	1.3
209.13216	2.2
211.13039	1.4
211.14824	1.9
213.12914	0.9
213.16438	1.0
215.14313	0.9
215.17952	1.0
221.15260	0.8
223.13098	1.9
223.15019	0.9
227.12724	20.6
227.17850	1.1
229.14290	12.0
229.19426	4.1
229.97491	1.1
233.15298	1.1
239.17986	4.0
243.15828	1.8
245.13741	2.1
245.18890	1.7
247.16888	1.0
247.20573	3.1
253.14589	0.9
253.17969	3.6
255.15623	4.1
257.18988	11.8
259.20618	1.2
263.20187	1.0
267.15656	1.8
269.17404	11.4
272.19992	0.9
273.18423	4.8
275.20032	49.1
279.15863	1.2
291.19492	8.9
292.19574	1.0
293.20999	5.2
301.21432	1.0
313.21524	1.6
321.24365	1.7
324.08911	0.8
331.22672	2.5
333.23853	1.1
347.22339	1.8
349.23694	47.4
350.23944	1.1
365.23145	5.6
367.24579	2.4
371.16956	0.9
376.24512	0.8
383.24112	1.4
399.23697	1.3
409.25778	2.5
423.27359	5.9
435.32266	1.0
445.29391	3.1
447.30878	1.6
465.27979	1.0
503.33569	8.9
504.37366	1.0
511.34302	1.5
519.32867	2.1
525.35754	1.5
527.37250	5.6
529.35297	5.0
541.34564	1.2
543.36670	13.5
544.36328	1.1
547.36102	1.6
559.36469	1.9
561.37512	0.9
605.41327	1.3
623.33032	1.1
623.43005	16.6
639.42004	1.6
641.43811	3.1
758.05176	0.8
872.54150	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	872.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	3.1
65.03918	4.5
67.05495	99.8
69.03419	13.8
69.07058	65.7
70.06583	26.0
71.01340	1.9
71.04983	19.9
71.79412	1.9
72.08127	2.1
73.02901	5.7
73.06540	1.8
77.03938	1.4
79.05482	84.6
81.03403	20.9
81.07044	100.0
82.07371	1.0
83.04967	19.0
83.08147	2.0
83.08609	23.2
84.04485	2.3
85.02892	10.7
85.06514	7.2
86.09695	27.1
87.05581	2.1
91.05466	74.9
93.07030	76.6
95.01295	1.4
95.04951	23.7
95.08595	43.4
97.02886	11.0
97.06513	72.0
97.10152	19.9
99.04432	3.6
99.08076	7.9
101.02392	1.1
101.06052	1.2
103.05492	2.8
105.07012	63.6
107.04940	16.6
107.08576	59.6
109.02865	3.5
109.06506	23.8
109.10143	39.3
111.04437	2.8
111.08080	12.3
113.05985	4.3
115.05415	3.4
115.06828	1.4
115.07561	18.0
117.06998	25.8
119.04900	2.0
119.08565	43.9
120.08112	6.9
120.08813	1.5
121.06479	12.2
121.10133	27.5
123.04350	1.2
123.08064	10.3
123.11679	8.2
124.11191	1.1
125.09616	15.9
127.03899	6.7
127.07555	2.6
128.06203	4.0
129.05457	2.1
129.06979	15.0
130.06587	1.8
130.07755	2.7
130.08658	1.2
131.07039	1.6
131.08548	34.1
132.07999	1.8
133.06491	6.6
133.10104	43.5
135.08035	16.4
135.11681	17.2
137.05928	1.6
137.09628	7.4
139.11160	1.6
141.06952	4.6
141.10208	5.7
142.07759	2.6
143.08527	13.7
145.04933	1.8
145.06418	3.8
145.10109	28.5
147.08049	9.2
147.11653	18.7
149.09595	18.6
149.13235	14.2
151.07506	1.2
151.11166	11.1
153.06955	1.7
153.09058	3.2
153.12679	1.5
155.08519	6.2
157.06473	2.2
157.10123	12.0
159.08003	5.4
159.09218	3.5
159.11664	21.1
161.09610	9.4
161.13232	7.5
163.07523	1.2
163.11148	14.5
165.09082	2.4
165.12721	1.9
167.08525	3.1
169.09975	12.2
169.13326	6.1
171.10248	2.2
171.11618	7.8
173.04428	3.1
173.09589	5.2
173.11739	2.7
173.13237	7.2
175.11183	7.0
175.14819	2.3
177.09042	1.8
177.12723	8.0
179.08492	1.6
179.10635	2.2
179.14246	3.0
181.10078	2.6
181.12175	2.2
183.11644	6.1
184.07347	1.4
185.09610	3.1
185.13188	5.6
187.11169	4.1
187.14780	2.9
189.11171	9.5
189.12753	3.7
191.14207	1.5
193.12363	2.3
195.11766	2.5
195.13788	6.7
197.13004	9.3
199.11203	2.7
199.14798	3.9
201.12750	2.3
203.14314	2.2
205.12271	2.5
209.13216	2.6
211.14853	1.9
213.16420	2.2
217.15811	5.8
219.13670	2.9
221.15292	2.9
223.13165	5.7
227.12729	25.3
227.17892	2.8
229.14224	11.7
229.19415	2.3
233.15387	3.7
235.16849	1.3
237.16405	1.7
239.17950	3.4
241.14137	1.2
245.13725	2.8
245.19019	4.7
247.20403	1.7
249.14670	1.4
251.16324	2.2
253.14247	16.2
255.15485	7.5
257.18961	8.6
259.11700	1.2
259.20441	2.6
263.20111	1.8
267.15900	4.4
269.17407	35.6
273.18445	33.6
274.18832	1.2
275.20029	44.6
275.22995	2.5
282.18442	1.8
283.20407	1.4
289.17822	2.0
291.19498	47.5
292.20001	1.2
293.20950	3.7
297.16785	1.8
307.18835	2.0
309.20691	1.8
311.19989	1.7
329.21008	1.9
347.22079	14.9
349.23685	30.5
353.21329	1.3
365.23206	32.3
367.24844	7.6
383.24237	3.2
431.28094	2.5
439.26694	3.2
445.29877	1.6
449.28995	3.0
449.73581	1.2
452.64526	1.4
461.28967	2.1
463.30606	7.4
463.73840	1.4
477.28278	2.8
501.31860	3.1
513.35474	3.0
519.33197	26.8
523.33929	1.3
525.35614	2.6
527.33618	2.2
529.34985	1.4
535.32849	1.7
541.35120	9.5
543.36853	16.0
545.34698	5.8
559.28070	2.2
559.36249	31.6
561.36957	1.3
569.38361	1.2
575.35712	1.2
577.37372	3.6
621.41370	6.2
622.42456	1.2
639.42493	26.4
657.43683	13.0
872.48419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03882	0.9
67.05447	2.4
68.04975	0.6
69.03374	2.4
69.07060	3.2
70.06540	0.8
71.79898	1.2
73.06496	2.0
79.05444	1.4
81.03395	7.0
81.06989	1.9
85.02895	3.6
90.45358	0.5
91.05422	1.6
93.07014	0.9
94.06061	0.5
94.06551	4.8
95.04904	2.1
95.08538	0.7
97.02836	1.7
99.04416	1.0
101.05948	1.3
103.05421	0.7
104.34575	0.6
105.06955	1.9
106.06544	2.9
107.04926	1.1
107.08548	1.2
108.08097	12.8
109.02801	2.2
109.06427	0.7
109.10088	1.1
111.04389	0.6
111.08027	0.6
114.09140	2.8
117.03340	0.6
118.06490	0.7
119.04956	0.9
119.08517	1.7
120.04435	1.4
120.08035	2.0
121.06470	0.7
122.05195	0.8
122.06000	11.8
122.09621	1.2
123.04423	1.0
123.08040	0.8
124.07526	0.9
127.03820	2.5
130.06465	0.6
130.08534	2.0
131.04916	0.8
132.08044	1.0
133.06346	0.7
133.10033	1.3
134.05963	3.3
134.09593	0.7
136.07544	6.6
137.05902	2.0
138.05418	1.0
140.07030	12.6
144.04384	0.9
144.08098	0.9
145.02805	1.3
146.05952	5.7
146.09608	0.8
147.04341	1.0
148.07530	9.8
150.09125	4.7
152.07034	4.1
154.08479	0.6
157.10045	0.8
158.05980	0.6
160.07481	2.0
160.09651	3.9
161.09900	0.7
162.05394	1.2
162.09129	3.5
162.12926	0.6
163.03793	1.8
164.07037	3.4
165.05421	0.7
166.08603	5.3
167.06973	0.9
172.03915	8.2
174.05467	6.6
174.09056	1.6
175.03842	0.6
176.07014	6.0
177.05374	2.1
180.10094	0.7
181.06450	0.6
181.08403	0.7
186.09138	0.8
190.04926	3.3
190.08531	0.7
191.05684	0.9
192.06540	1.8
193.12114	0.8
194.08025	0.6
197.10736	0.6
198.11443	0.7
200.07022	0.9
202.08511	1.1
204.06508	12.8
204.09897	0.7
206.08076	2.5
207.06366	0.9
208.09656	6.0
209.10664	0.7
210.11398	2.1
211.12248	2.4
212.13045	1.0
214.08720	0.9
216.10095	0.7
221.10675	1.4
222.11273	1.5
223.12254	3.1
224.09285	0.9
224.13042	1.7
225.10126	3.1
225.13773	2.6
226.10931	1.0
227.11819	3.4
228.06526	0.9
229.13258	1.2
234.11382	1.2
235.08679	1.9
235.12337	2.8
236.09247	1.9
236.13008	1.1
237.10147	7.5
237.13734	3.3
238.10835	4.2
238.14552	1.2
239.11742	15.8
240.12450	3.9
241.13257	2.2
247.12299	1.0
248.09444	2.2
248.13074	1.1
249.10117	6.1
249.13879	0.8
250.10910	8.0
251.11765	26.9
252.12477	7.3
253.09583	0.8
253.10493	1.1
253.13306	16.7
254.13937	2.3
255.11203	0.7
256.09460	0.8
261.10013	1.1
261.12473	1.0
262.10992	2.5
263.11731	20.4
264.08832	1.8
264.12463	5.8
265.09689	6.7
265.13297	24.7
266.10776	4.5
266.13922	5.9
267.11313	6.8
267.14871	3.5
268.12006	3.4
268.15927	1.7
269.12729	2.3
271.14392	2.2
274.10675	3.6
275.11697	2.3
276.09467	0.6
276.12314	1.8
277.09680	5.8
277.13278	7.4
278.10327	6.2
279.11227	100.0
280.11942	11.6
281.12784	19.7
282.13309	1.2
283.10648	1.9
283.14261	1.6
284.11459	1.3
285.12286	2.9
287.13849	1.6
291.11234	9.9
292.11859	9.3
293.12759	16.7
294.10358	0.9
294.13522	3.2
295.10690	5.6
295.14349	3.6
296.11520	1.9
297.12305	12.5
298.12927	1.7
299.13947	3.7
303.11084	1.1
305.12772	2.2
306.09888	1.1
307.10968	1.0
307.14355	1.4
308.11325	0.9
309.12207	10.2
310.12830	23.8
311.13846	19.2
312.14539	2.8
313.11835	2.9
313.15442	5.3
319.10815	7.9
319.14407	1.1
320.11542	2.0
321.12302	17.0
322.12848	1.2
323.13718	4.2
325.11877	1.3
325.15231	0.9
328.13797	0.7
331.12949	1.3
331.16483	1.6
333.12100	1.1
335.13782	0.9
336.10791	1.0
337.11801	6.5
337.15363	0.9
338.12805	3.2
339.13358	13.7
340.14102	1.0
341.14838	2.5
345.14600	4.1
351.13260	2.9
352.14026	1.0
353.15015	3.6
354.15982	0.8
355.16678	1.1
357.14453	0.9
365.14816	1.4
369.14392	3.1
370.15103	1.0
371.16113	2.2
372.17184	0.8
377.14896	1.0
379.12494	1.7
379.16919	0.9
380.13538	0.7
381.14365	3.3
382.15106	0.8
383.15805	1.9
388.16220	0.7
393.14325	1.4
395.15866	3.8
397.17438	2.6
399.15790	0.8
400.16440	2.5
400.20364	1.4
401.16977	0.8
402.18204	1.0
403.18930	0.9
405.14200	1.1
407.16086	1.4
409.17807	1.4
411.15106	1.5
413.16913	3.4
414.18140	1.4
415.18616	3.5
418.17545	0.9
419.16055	1.9
420.19327	0.8
422.14761	0.9
423.15359	4.3
424.16489	1.0
425.17035	0.9
426.17834	0.7
427.18799	1.6
433.19641	6.6
435.15552	4.3
437.17007	5.0
438.17969	1.7
439.14352	0.9
440.16068	1.9
441.16501	10.4
442.17245	3.0
443.18011	1.7
445.13824	1.2
447.15460	0.9
453.16553	8.6
454.17340	5.3
455.18143	8.2
456.18707	2.4
457.19669	0.8
459.17731	1.6
459.27466	1.2
460.18759	1.5
460.27515	0.7
463.15039	5.2
464.15753	1.7
465.16623	4.4
471.17563	2.9
473.19217	1.3
478.19525	1.2
481.15964	24.9
482.16605	12.3
483.17535	20.1
484.18207	2.1
485.19290	1.5
494.22687	0.7
497.19110	1.8
499.17047	3.8
500.17850	0.8
501.18726	2.3
502.19489	0.9
513.18481	4.6
514.19006	1.2
515.20154	7.7
516.20734	0.9
523.26282	1.4
527.23676	1.6
531.23340	2.0
534.21948	1.1
552.22351	0.7
553.22620	0.9
555.23340	1.1
560.23663	2.4
568.20691	2.5
571.22723	23.8
572.23535	4.7
573.24249	14.6
578.24866	1.2
583.25476	0.9
586.21832	5.6
600.23615	1.9
601.26422	1.7
603.25208	3.2
604.22919	9.8
605.27094	7.3
610.23749	1.0
618.24176	4.5
622.23853	42.5
623.24011	3.0
624.25287	1.5
636.25806	4.6
640.25177	3.4
643.27490	1.9
654.26392	16.6
675.29712	0.9
676.28546	1.7
683.30524	1.0
691.27789	1.9
694.29321	6.2
709.28540	17.1
710.28571	0.7
712.30640	86.1
713.31232	5.7
726.31390	1.1
727.29694	8.1
741.31287	2.7
744.33264	11.5
745.30688	26.3
746.31195	1.4
759.31543	1.8
777.33472	7.0
817.36646	4.0
835.37555	11.8
836.37396	1.2
867.40283	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	866.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05608	1.4
61.02918	6.1
65.03912	0.4
67.05493	29.3
69.03407	0.9
69.07053	12.0
71.04948	1.4
71.08616	13.9
71.09196	0.5
73.02908	2.0
79.05478	12.4
81.03386	0.7
81.07040	37.3
81.94349	0.3
83.04968	3.1
83.08606	11.0
85.02891	7.5
85.06499	1.7
85.10166	8.8
89.05985	1.0
91.03942	5.2
91.05460	5.2
93.07026	24.3
94.07352	0.5
95.04941	1.8
95.08585	17.1
97.02866	4.3
97.04104	0.3
97.06514	5.0
97.10136	3.4
98.21450	0.8
99.04396	0.7
99.08087	2.1
99.11678	0.7
105.04477	0.6
105.06989	2.0
107.08570	13.6
109.06459	0.9
109.10130	6.4
111.08051	4.0
111.11675	1.4
113.09581	0.4
117.07012	3.3
119.08533	1.1
121.06468	0.5
121.10121	9.3
123.11681	2.5
125.09589	0.5
127.03881	1.9
127.07492	0.4
131.08539	4.0
133.10100	3.2
135.07996	0.7
135.11679	4.9
137.13153	0.6
139.11189	0.9
145.04921	1.6
147.11656	0.6
149.13228	18.9
150.13596	0.4
151.11087	0.4
159.11667	8.0
163.05959	1.8
165.16356	0.4
169.17599	0.4
169.41612	0.4
177.11522	0.4
177.12752	4.2
184.07397	0.6
195.13776	6.8
213.14857	0.6
216.17477	0.4
231.59540	0.4
239.23645	1.7
249.28137	0.4
257.24728	0.7
265.20441	0.4
269.17426	86.4
270.17758	1.7
313.27307	48.8
314.27634	1.2
353.96680	0.5
478.39462	0.4
507.40378	100.0
508.40851	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	861.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.9
65.03929	0.3
67.05494	5.4
69.03416	2.9
69.07062	4.8
70.33402	1.0
71.01342	0.4
71.04973	0.6
73.02908	3.0
79.05020	0.3
79.05483	4.3
81.03410	1.9
81.07047	6.2
83.04969	1.1
83.08602	1.3
84.15109	0.2
85.02901	4.2
85.12087	0.2
87.04456	0.4
91.03941	2.1
91.05465	3.8
91.64816	0.2
93.07028	4.0
93.14745	0.2
95.04965	1.2
95.08593	2.9
97.02879	3.4
97.06520	1.0
97.10170	1.1
98.21325	0.3
99.04447	0.5
101.02360	1.6
103.03954	0.4
105.07015	2.6
107.04955	0.4
107.08581	3.2
109.02862	0.8
109.06538	0.7
109.10141	1.3
111.08066	0.4
117.07037	0.8
119.08541	1.7
121.06499	0.3
121.10120	1.5
123.08079	0.3
125.09649	1.1
127.03893	1.1
129.07004	0.3
131.08586	1.0
133.10121	1.4
135.11688	1.2
136.06169	12.4
137.04652	0.4
137.06606	1.3
143.08536	0.3
145.10135	1.0
147.11679	0.8
149.09573	0.3
149.13292	0.4
157.10043	0.3
159.11699	0.9
161.13254	0.3
163.11182	0.4
173.13261	0.4
185.04291	0.6
189.11244	0.4
190.86774	0.2
194.12704	0.3
203.05273	0.5
241.06894	0.3
243.08379	4.4
301.08972	0.9
303.19315	0.5
313.08954	0.5
315.10535	0.3
333.20291	4.1
335.26071	0.3
389.23148	1.1
390.96783	0.2
413.17731	0.3
439.19394	1.9
453.20911	2.1
469.20282	0.6
481.20477	0.5
541.22522	0.4
551.28192	14.4
552.28510	0.5
558.11200	0.3
586.95667	0.3
623.30347	0.5
646.10120	0.3
681.43414	0.4
699.45050	0.6
763.42114	0.9
764.43256	0.3
775.43475	0.2
779.43695	0.3
861.49573	100.0
862.49805	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	863.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.2
65.03931	3.7
66.92045	0.3
67.05494	5.6
69.03421	9.7
69.07060	3.5
70.06580	0.4
71.01347	1.8
71.04982	64.1
71.79624	0.3
72.05295	0.4
73.02905	6.6
75.04462	5.0
79.05482	6.3
81.03416	2.1
81.06591	0.5
81.07047	8.2
83.04968	21.1
83.08598	1.2
85.02893	100.0
85.06489	0.4
86.03224	0.6
86.06042	0.7
87.04461	2.7
87.80347	0.2
91.05467	20.1
93.07032	6.9
94.04162	0.8
95.04961	5.5
95.08596	5.7
97.02882	10.8
97.06506	1.2
97.10176	0.4
99.04443	4.7
101.05991	1.6
103.03935	0.8
103.05448	0.7
105.04517	0.5
105.07014	10.7
107.04943	2.8
107.08578	51.6
108.08897	0.8
109.02859	1.1
109.06503	22.4
109.10139	15.2
111.04425	19.8
111.08059	0.6
113.02350	0.7
113.05992	2.5
115.03915	7.8
115.05342	0.3
116.06265	0.4
117.03358	0.3
117.05487	1.9
117.06999	1.1
119.05009	0.2
119.06037	1.6
119.08564	7.6
121.06490	31.4
121.10130	10.5
122.06834	0.3
123.04414	0.8
123.07195	0.3
123.08030	1.4
123.11693	2.1
125.05975	1.1
125.09617	0.4
127.03893	2.3
128.06172	0.5
129.05463	37.5
130.08621	0.4
131.08545	2.3
133.04945	2.7
133.06465	0.7
133.10104	4.3
135.04416	0.9
135.08052	0.9
135.11681	4.0
137.05951	1.3
137.09627	0.4
137.13197	1.4
139.03899	2.0
141.05453	0.7
142.07787	0.4
143.03348	0.5
143.07059	0.3
143.08527	0.8
145.02841	1.0
145.04948	1.3
145.10092	2.9
147.04564	0.5
147.06509	15.2
147.11646	2.4
149.05959	0.7
149.09598	54.6
149.13206	3.2
150.09941	0.9
151.03909	0.5
151.07495	0.8
151.11163	0.3
151.14784	0.4
153.05449	3.8
157.04927	2.2
157.10132	1.0
159.06543	1.3
159.11707	1.7
161.04480	0.3
161.05981	0.4
161.09595	0.4
161.13243	1.9
163.03914	0.5
163.06020	0.7
163.11189	0.8
163.14847	1.0
165.05449	0.7
165.07607	0.6
167.07048	0.4
169.04948	0.6
171.06516	3.2
171.11699	1.0
173.04439	0.3
173.08051	0.3
173.13264	1.1
175.06076	0.4
175.07561	0.3
175.14774	1.9
177.05499	1.7
177.12813	0.3
177.16350	0.6
179.07011	0.7
183.06532	1.0
185.13242	0.9
187.09596	0.4
187.14742	1.9
189.12677	0.4
189.16353	1.8
191.14320	0.4
191.17923	7.1
193.08632	0.3
195.06580	0.6
197.08041	0.3
197.13187	0.4
199.06001	0.7
199.11128	0.3
199.14790	1.2
201.07588	0.8
201.16388	1.0
203.07149	0.4
203.14449	0.3
203.17972	1.4
207.06534	0.5
207.17450	0.5
211.09695	0.3
211.14871	0.3
213.07571	1.0
213.16399	1.2
215.14378	0.6
215.17932	0.6
217.07153	0.3
217.15843	0.7
217.19604	0.5
221.08076	0.3
225.07549	6.4
225.16240	0.4
227.17966	0.3
229.15880	0.7
229.19670	0.3
231.08707	0.5
231.17433	1.3
231.20964	0.3
237.20613	0.3
239.09126	8.2
239.17900	0.3
241.15822	0.3
241.19598	0.3
243.08586	4.8
245.22820	0.3
255.21086	0.6
257.10168	3.7
257.22528	1.9
261.09644	4.6
271.24207	0.4
275.11218	3.7
279.10757	4.3
282.67865	0.3
293.12299	2.1
295.24261	0.6
297.25711	0.4
299.23694	0.4
311.23331	0.3
313.25217	0.7
315.26816	2.3
339.10947	0.3
379.33698	0.6
403.33417	1.6
421.34653	7.7
439.35645	4.6
531.38196	0.5
549.39288	0.5
567.40021	0.4
571.40167	1.1
647.59247	0.3
717.45453	0.7
807.45715	0.4
863.51459	30.7
864.51605	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	859.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	4.2
62.49174	0.3
65.03934	0.4
67.05495	5.6
69.03419	2.9
69.07056	2.5
71.01352	0.6
71.04977	1.1
71.79046	0.4
73.02898	3.1
74.39614	0.3
75.89901	0.3
79.05477	4.7
81.03408	2.6
81.07043	6.5
83.04965	1.1
83.08612	1.1
85.02888	3.9
87.04425	0.6
91.03936	2.0
91.05463	4.7
92.05826	0.4
93.07024	3.7
94.07405	0.4
95.04954	2.0
95.08588	3.3
97.02881	3.7
97.06521	0.9
99.04449	1.0
101.02354	1.6
105.07009	3.6
107.04946	1.3
107.08585	2.6
109.02869	0.7
109.06511	1.2
109.10128	1.2
111.08029	0.3
117.07018	1.3
119.08551	2.1
121.06488	0.8
121.10152	1.1
123.08040	0.6
125.09600	0.4
127.03899	1.4
129.06953	0.7
131.08575	1.2
133.06520	0.4
133.10112	2.6
135.11707	1.3
137.09573	0.6
142.90680	0.3
143.08641	0.4
145.10120	1.0
147.08096	0.4
147.11702	1.1
148.12027	0.3
149.09607	0.6
151.11205	0.7
157.10237	0.5
159.11688	1.0
163.11264	0.4
175.11249	0.5
184.07362	0.5
185.04282	0.6
188.30249	0.3
193.12294	0.8
195.13921	0.4
243.08359	3.0
275.77338	0.4
282.43417	0.4
301.09055	0.4
313.17834	1.0
313.27115	0.4
331.18857	2.4
333.20206	1.6
346.38257	0.3
355.13879	0.4
357.15082	0.4
439.19632	1.2
451.19467	1.0
453.21069	1.1
463.95486	0.3
469.20511	0.4
488.30667	0.4
521.27698	0.4
531.25610	1.8
549.26648	2.8
551.28210	5.8
596.90967	0.4
623.30249	1.0
761.40424	2.2
790.40430	0.5
841.46979	6.1
859.47668	100.0
860.47955	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	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02610	0.2
61.02921	4.2
65.03931	0.3
67.05497	6.1
69.03420	3.0
69.03774	0.3
69.07058	5.8
69.07417	0.3
71.01351	0.5
71.04990	0.6
71.15430	0.4
73.02906	3.7
73.03308	0.2
79.05485	4.9
81.03409	3.0
81.03868	0.3
81.07046	6.0
83.01137	0.2
83.04967	1.0
83.08608	1.2
85.02895	4.6
85.06533	0.3
87.04462	0.3
91.03941	2.0
91.05462	3.7
91.05939	0.3
93.07027	4.3
93.07565	0.3
94.07394	0.2
95.01036	0.2
95.04963	1.6
95.08599	2.8
97.02889	4.0
97.03522	0.2
97.06539	0.8
97.10157	1.4
99.04474	0.5
101.02354	1.9
103.03942	0.4
105.07014	3.0
107.04970	0.8
107.08583	3.2
109.02869	0.6
109.06506	0.4
109.10142	1.2
111.04424	0.2
111.08070	0.5
117.07003	0.9
119.08565	2.2
121.06519	0.4
121.10132	1.2
123.08062	0.3
125.09582	1.0
127.03874	1.2
129.05516	0.3
129.07021	0.6
131.08543	1.2
133.10100	1.8
135.08070	0.3
135.11681	1.1
136.06171	9.3
137.06607	1.2
143.08572	0.3
145.10104	1.0
147.08119	0.2
147.11662	1.0
149.09633	0.6
149.13275	0.6
159.11755	0.6
161.13332	0.4
163.11223	0.5
171.11790	0.2
173.13332	0.5
177.12746	0.2
184.07365	0.6
185.04222	0.9
201.03665	0.4
203.05275	0.7
207.13855	0.2
241.06854	0.3
243.08372	5.2
259.08044	0.3
267.15860	0.3
301.08951	1.0
303.19275	0.3
313.09232	0.6
315.10696	0.6
315.19110	0.2
327.10593	0.3
333.20291	4.4
334.20850	0.3
335.25641	0.3
341.12018	0.2
355.13654	0.3
355.60522	0.2
371.16730	0.2
373.11279	0.3
373.23712	0.4
383.16797	0.2
385.18619	0.3
389.22879	1.5
394.68918	0.2
413.17981	0.5
429.17371	0.3
431.24170	0.3
439.19461	1.2
453.20956	1.5
457.53772	0.2
463.19772	0.2
465.21561	0.3
469.20471	0.6
503.89856	0.2
541.22351	0.3
551.28210	12.4
552.28510	0.8
623.30585	1.1
637.31024	0.2
651.33130	0.3
665.35229	0.3
693.38629	0.3
699.45111	1.0
749.40515	0.3
763.41980	0.3
775.42566	0.3
843.50488	0.3
861.49597	100.0
862.49976	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	859.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.4
65.03927	0.7
67.05495	7.2
69.03418	3.5
69.07060	4.7
69.80308	2.1
71.01350	0.4
71.04980	1.1
71.22116	0.2
73.02905	3.4
79.05484	6.0
81.03406	2.8
81.07047	7.7
83.04975	0.8
83.08618	1.5
85.02899	4.6
85.06509	0.3
87.04451	0.6
91.03942	2.3
91.05476	5.2
93.07035	5.8
95.04965	1.9
95.08598	3.1
97.02876	4.8
97.06532	1.3
97.10160	1.6
99.04463	0.8
99.08062	0.3
101.02380	1.8
105.07024	4.4
107.04960	0.7
107.08580	4.3
109.02898	0.6
109.06509	0.9
109.10137	2.5
111.08091	0.4
117.06985	1.4
119.08584	2.7
121.06518	0.7
121.10113	1.5
123.08061	0.5
123.11710	0.7
125.09625	1.3
127.03130	0.3
127.03906	1.4
129.06979	0.4
131.08536	1.3
133.10112	2.6
135.08081	0.3
135.11670	1.6
145.10156	1.1
145.82950	0.3
147.11668	1.4
149.09692	0.3
149.13248	0.7
151.11153	0.7
156.89178	0.3
157.10155	0.6
159.11713	0.9
161.13272	0.5
163.11195	0.6
171.11699	0.4
173.13197	0.3
175.11119	0.3
177.12744	0.3
185.04222	0.6
189.11348	0.4
195.13744	0.4
201.03705	0.5
203.05295	0.4
223.13354	1.0
243.08389	5.3
245.18974	0.3
259.08026	0.3
269.17551	0.8
270.17798	0.5
270.95541	0.3
273.18610	0.4
275.20068	0.4
291.19614	0.9
292.19919	0.4
301.17822	0.4
313.09180	0.4
331.18784	1.8
333.20258	1.8
344.22318	0.7
387.21448	0.5
389.22980	0.7
429.17023	0.3
439.19449	1.5
453.21075	1.1
463.30884	0.5
464.30646	0.3
469.20343	0.6
499.70789	0.3
517.39020	0.8
549.26678	8.5
551.28247	6.9
552.28455	0.4
697.49677	0.3
859.47968	100.0
860.48108	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	859.4797
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02917	4.7
67.05496	5.9
69.03416	3.6
69.07056	2.6
71.04971	0.9
73.02903	3.0
79.05482	4.3
81.03404	2.8
81.07049	5.7
83.04948	1.4
83.08613	1.2
85.02898	4.4
85.06533	0.3
91.03949	2.1
91.05465	5.2
93.07030	3.9
95.04958	2.3
95.08591	3.6
97.02882	4.0
97.06541	0.7
97.10124	0.6
98.20625	0.6
99.04439	0.7
99.08089	0.4
101.02359	1.6
103.03946	0.4
105.07028	3.7
107.04945	0.9
107.08575	2.7
109.02898	0.8
109.06503	1.6
109.10127	1.9
111.08078	0.4
117.06989	1.3
119.08547	1.7
121.06497	0.5
121.10144	1.4
123.08039	0.4
123.11725	0.3
127.03873	1.2
129.05469	0.3
129.07021	0.6
131.08562	1.2
133.06458	0.3
133.10110	2.8
135.08063	0.8
135.11705	1.0
137.09578	0.4
139.03891	0.2
142.35913	0.3
143.08600	0.5
145.10123	1.1
147.08057	0.5
147.11684	1.1
149.09627	0.6
151.11203	0.5
157.10109	0.2
159.11691	0.5
161.09569	0.4
161.13242	0.3
163.11165	0.3
175.11217	0.6
185.04218	0.9
185.11653	0.2
193.12309	1.1
195.13841	0.3
203.05247	0.6
210.82695	0.3
243.08391	3.9
259.07968	0.5
273.18649	0.4
273.53217	0.2
293.21201	0.3
294.21652	0.3
301.08978	0.4
301.17700	0.4
313.08929	0.3
313.17810	1.1
313.27365	0.3
315.10538	0.5
327.10922	0.3
331.18707	2.2
333.20309	2.2
355.13333	0.3
374.54132	0.3
387.21524	0.5
389.22928	0.7
437.17862	0.4
439.19394	1.3
451.19492	1.6
453.20950	1.0
468.74741	0.3
469.20401	0.5
531.25653	2.1
533.55115	0.3
549.26648	3.0
551.28156	8.4
552.28485	0.6
553.23395	0.3
623.21265	0.3
623.30011	1.4
637.32257	0.4
760.41083	0.3
761.40717	2.1
790.41022	0.7
798.19525	0.3
841.46765	6.7
842.48212	0.5
859.47943	100.0
860.48370	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	859.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87147	1.6
69.03420	4.1
69.07059	7.7
70.06582	3.2
71.78941	3.3
72.08160	2.1
79.05477	2.4
81.03400	8.5
84.08101	2.3
85.02888	1.8
91.05488	3.0
94.06564	10.0
95.04985	3.9
97.02872	4.0
105.06990	1.8
107.04905	2.0
108.08113	6.7
109.02889	6.1
110.06050	2.9
112.07582	3.5
114.09156	4.8
120.08055	2.8
122.06026	32.6
127.03932	4.2
130.08627	38.9
131.08981	5.2
136.07564	4.1
137.05893	2.0
138.05524	2.9
140.07047	37.5
144.08043	1.7
146.05997	19.7
146.08087	2.5
147.04430	4.1
148.07597	10.8
152.07074	2.3
160.07582	4.7
162.05452	4.2
162.09096	2.3
164.06999	3.0
166.08667	1.8
167.07039	2.1
172.03906	16.4
174.05501	24.6
176.07051	11.0
177.05510	2.7
185.07106	1.9
190.05006	6.2
191.05696	2.2
192.06566	4.1
197.10641	2.4
199.08647	3.2
204.06546	34.4
206.08125	7.2
208.09766	5.7
211.08627	4.1
211.12344	3.6
212.09314	2.5
213.10234	6.3
214.10886	2.8
215.11818	5.8
224.12959	1.9
225.10149	13.8
226.10963	3.5
227.08209	2.4
227.11815	5.6
235.08607	3.0
237.10277	14.8
238.10866	3.5
239.11711	15.8
240.12468	2.7
241.09709	6.5
243.11266	42.0
249.10205	9.1
250.11082	7.4
251.08461	2.0
251.08905	2.4
251.11813	24.7
252.12607	5.5
253.09669	9.0
253.13336	9.8
255.11290	5.6
257.12946	2.8
259.10825	3.1
261.12454	3.1
262.11014	3.7
263.08081	3.6
263.11795	10.5
264.08948	3.9
265.09726	24.2
265.13354	7.8
266.10373	5.1
266.14188	4.5
267.11270	21.6
267.14984	3.4
268.11798	2.9
269.09283	3.5
269.12811	4.9
271.10831	3.4
273.12454	3.3
274.13217	2.3
277.09723	7.6
278.10437	6.4
279.08041	3.8
279.11270	38.3
280.12009	9.8
281.10117	2.0
281.12787	11.8
282.10114	2.4
283.10599	9.1
285.12329	18.5
287.10297	8.9
287.13824	4.7
291.11166	6.2
293.09146	8.5
293.12851	11.3
294.10254	2.7
294.13535	2.1
295.10797	7.7
295.14471	10.1
297.12396	8.6
299.13745	5.2
301.12277	2.6
302.12772	2.3
303.13376	7.8
304.14554	2.5
307.10709	9.6
309.12253	12.0
310.12991	3.9
311.10501	3.5
311.13885	10.2
313.11856	15.6
313.15399	2.9
315.13544	4.4
316.14249	2.6
318.16074	4.8
319.10818	4.4
321.12308	2.3
323.13776	3.8
325.11935	12.0
325.15149	2.9
326.12817	4.1
327.13382	7.9
328.14395	2.2
330.12527	4.2
331.13034	6.7
332.13974	3.3
335.10303	3.9
337.11780	6.6
339.13480	14.9
341.15115	11.2
343.13144	4.0
344.13910	7.6
345.14438	26.9
346.15268	7.0
347.16330	3.6
348.16852	2.6
351.13425	3.0
353.14938	4.2
355.12982	3.8
356.13791	4.1
357.14828	3.8
358.11642	3.5
358.15591	8.5
360.17163	10.3
367.12827	7.0
369.14682	11.8
370.11502	3.3
370.15625	4.6
371.12457	4.2
372.13263	10.5
372.17477	2.8
373.14182	9.1
374.14886	12.6
379.12952	3.5
381.14560	10.2
383.16074	4.4
384.13010	2.8
385.14233	5.8
386.14899	22.3
387.15863	16.8
388.16516	15.5
390.18289	2.1
397.14017	3.4
399.15424	3.4
400.16953	3.4
402.14203	4.6
406.17517	2.4
409.14096	4.6
411.15646	15.5
414.14423	19.3
415.15192	27.3
416.15985	41.0
417.16769	4.2
418.17383	2.9
423.15744	2.7
425.17297	3.0
427.15295	2.5
428.15833	3.8
429.16519	24.3
430.17679	8.7
433.15677	3.0
434.17130	4.3
438.14337	3.2
441.16779	11.1
443.18188	3.6
446.17078	7.0
447.17706	16.6
448.18423	5.9
449.17746	2.3
451.14713	4.7
453.16760	2.9
456.15588	6.4
457.15726	3.5
458.16934	2.3
465.18832	9.1
469.16107	11.2
471.17426	8.0
474.16568	2.7
476.17728	2.7
479.14346	2.4
481.16135	2.7
483.17471	6.2
485.19504	2.5
489.18472	4.7
490.19693	2.3
493.16000	4.2
497.15253	8.1
501.18582	14.9
506.18506	2.4
511.16992	11.6
512.18036	5.7
513.18610	2.4
516.17719	2.1
529.17975	21.0
530.18549	5.1
531.19763	2.3
532.20081	3.4
535.19226	2.3
543.20074	2.5
548.20227	3.4
550.21405	2.8
552.22882	4.1
556.20337	3.6
560.19556	2.3
561.20990	10.1
574.21503	3.9
576.19470	5.2
577.20544	4.5
578.20337	2.4
582.18494	2.3
590.21411	3.1
591.22180	2.7
592.22705	2.9
597.23840	3.0
600.19879	2.7
615.23987	6.9
616.22821	4.3
618.20660	13.1
619.21564	6.2
620.22107	4.9
626.26758	6.0
634.23755	3.6
636.21722	16.1
637.22260	7.4
638.22852	4.4
648.25287	4.7
652.24933	13.3
657.25470	6.3
666.27515	2.3
670.26013	79.2
671.29669	2.7
684.27252	11.4
697.28027	8.1
702.28601	100.0
703.28595	2.9
705.24609	3.8
715.29053	3.0
717.26978	2.9
723.26428	20.4
733.30481	6.2
741.27490	20.3
755.28821	6.8
759.28589	91.3
760.28558	3.9
773.30426	9.1
777.29700	66.5
778.29858	2.5
791.31165	30.6
809.32410	17.8
859.34711	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	859.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.3
69.03415	4.4
69.07053	6.7
70.06578	4.4
71.04952	2.7
71.78586	2.5
72.08157	2.6
81.03391	8.6
83.04965	2.9
85.02891	6.7
91.05458	3.2
94.06565	11.2
95.04948	4.1
97.02864	8.8
99.04444	2.3
100.97576	2.1
101.41782	2.1
103.47121	2.1
108.08106	4.2
109.02843	3.3
110.05991	2.5
112.07581	2.7
114.09186	3.7
119.04903	4.3
120.08059	2.8
122.06014	37.9
123.04385	2.2
127.03904	5.5
130.08636	4.1
134.06004	4.8
135.76802	2.1
136.07539	2.9
137.05995	4.2
140.07030	48.2
144.04391	3.5
146.06001	22.5
146.07874	2.4
147.04384	4.9
148.07550	8.9
151.03928	2.7
152.07014	2.6
154.08578	3.1
160.07568	3.5
162.05432	3.0
162.09105	2.3
163.03886	3.9
164.07057	3.6
166.08592	4.9
167.06969	2.4
172.03886	21.0
172.07623	2.2
173.04684	2.2
174.05487	30.8
176.07031	13.1
177.05457	4.5
185.91675	2.3
188.07036	3.1
190.04999	8.9
192.06567	4.4
199.08693	3.8
201.10289	2.4
204.04707	1.3
204.06525	38.6
206.08078	11.6
208.09724	4.4
211.08636	2.9
213.10179	7.0
214.10878	2.9
215.11768	6.7
221.10733	2.3
225.10220	13.4
226.08650	2.6
227.11725	4.4
228.06482	2.9
236.09445	4.6
237.10304	11.3
238.10902	6.1
239.11751	12.8
241.09618	6.6
243.11270	37.6
248.09425	2.6
249.10220	13.6
250.10966	9.3
251.11803	26.8
252.12605	7.5
253.09671	8.8
253.13304	9.1
255.11166	5.1
257.12830	6.0
261.12387	4.3
263.08264	3.4
263.11768	14.9
264.09000	3.2
264.12430	2.7
265.09711	33.8
265.13257	10.0
266.10452	8.3
266.13583	2.0
267.11230	21.5
267.14587	3.6
268.09341	2.2
269.08975	2.7
269.12808	4.6
277.09711	8.2
278.10272	10.4
279.07974	3.5
279.11240	41.8
280.11938	12.3
281.09909	2.5
281.12817	10.4
282.10034	2.5
283.10709	9.4
284.11301	3.6
285.12262	26.6
287.10208	8.5
287.13828	6.2
291.11063	5.6
292.11935	2.5
293.09152	9.6
293.12811	15.3
294.09906	3.9
294.13300	3.0
295.10709	13.3
295.14441	8.1
296.11652	2.6
297.12338	13.0
298.12839	3.2
299.10309	2.4
299.13864	4.3
303.13370	29.2
307.10678	7.1
309.12262	21.4
310.13025	5.2
311.10544	5.2
311.13840	13.7
313.11823	28.7
313.15335	3.5
316.14493	2.8
318.15979	4.7
323.10226	4.3
323.13675	4.0
324.10907	2.8
325.11746	15.9
326.12427	3.5
327.13416	23.5
328.14072	3.9
329.14944	2.6
330.12326	3.7
330.15955	3.3
331.12976	10.5
332.17535	3.5
335.10110	5.1
337.11871	14.4
338.12527	6.1
339.09341	2.7
339.13351	48.1
340.13998	7.9
341.15063	10.5
343.13077	3.1
343.16812	3.2
344.13892	7.5
345.14386	39.4
346.15421	7.9
347.16272	4.2
348.17184	3.9
351.12958	2.8
353.11362	7.2
355.12698	3.1
356.13773	4.5
357.14877	4.4
358.11575	4.1
358.15512	8.8
360.16867	11.1
362.18784	2.5
367.12839	36.5
368.14008	5.2
369.14642	13.6
370.11334	3.6
370.15552	4.3
371.12610	6.0
371.16675	2.8
372.13135	11.2
373.14081	8.4
374.14825	13.1
376.16562	2.9
381.14352	7.5
383.16327	2.4
384.13046	3.5
385.13889	9.6
386.14929	25.3
387.15579	18.9
388.16763	15.2
398.14569	4.2
399.15414	9.7
400.12271	3.4
400.16965	4.1
402.13956	3.8
402.18625	2.9
406.17749	4.4
409.14026	2.9
410.14795	3.3
411.15543	12.1
414.14117	18.4
415.15158	31.9
416.16043	49.9
417.16351	3.7
427.14801	3.2
428.15939	3.8
429.16568	19.7
430.17560	6.2
432.15240	2.5
433.16034	3.4
434.16907	8.2
439.14682	3.0
440.15567	3.2
441.16403	9.5
442.17252	4.0
446.16989	8.5
447.17560	20.2
451.14496	2.8
452.21613	5.1
456.15311	8.1
457.15964	3.6
458.16547	2.4
463.16882	2.7
465.18399	6.5
469.16104	11.2
470.16705	3.1
471.17529	4.7
474.16385	18.2
475.17291	8.4
476.17969	6.5
478.19812	3.7
483.17380	4.8
485.18869	4.3
488.18057	3.1
489.18762	5.3
495.18292	2.4
497.15451	3.3
501.18457	13.8
503.20258	2.2
508.20383	14.3
510.22223	10.8
511.17114	14.3
512.16937	2.7
513.18933	3.4
515.17072	3.8
516.17615	3.6
529.18091	20.7
530.18817	5.2
531.19604	3.1
540.23492	25.1
543.19604	4.0
556.20123	2.7
561.20691	12.5
573.22443	2.8
582.18030	3.2
597.23077	4.8
600.19702	4.2
615.24420	78.8
616.24030	4.4
618.21130	11.3
619.21411	4.4
620.22620	5.7
626.26648	7.1
633.23505	3.0
634.22351	2.8
636.21661	14.2
637.22174	3.0
638.22980	3.1
647.27155	21.9
652.25140	21.2
657.25342	6.2
668.24518	3.1
669.25623	3.1
670.25958	100.0
671.25812	5.6
684.27185	15.8
686.25610	3.1
689.27533	2.9
697.27826	7.3
702.28583	94.5
703.28607	3.7
715.29938	3.5
723.26434	16.1
733.30627	5.9
737.27258	2.5
741.27759	20.2
755.28735	3.0
759.28540	78.1
760.28198	5.2
773.29614	7.5
777.29614	59.1
778.29950	2.8
791.31018	18.8
809.31812	15.0
859.35162	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	859.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.3
65.03943	0.8
67.05493	1.3
68.99786	0.7
69.03421	19.1
70.06582	1.9
70.25408	0.3
70.67562	1.1
71.01350	2.7
71.04984	25.5
72.08128	0.5
73.02908	25.3
75.04475	2.5
75.32041	0.3
79.05471	0.8
81.02994	0.3
81.03394	2.2
81.07042	0.6
83.04968	22.6
84.05271	0.4
85.02894	49.1
86.03250	0.4
87.04466	2.7
91.05481	1.2
93.07076	0.6
95.04958	3.0
97.02881	21.8
97.06534	0.6
99.04470	1.8
101.06004	0.8
103.03918	1.8
103.39304	0.4
105.07018	0.5
107.04295	0.4
107.04956	1.1
109.02864	1.6
109.06504	0.4
111.00794	1.0
111.04428	18.6
113.02365	0.8
113.05978	1.3
114.09144	1.2
115.03917	15.9
117.05497	0.7
119.04900	0.6
121.02892	1.7
121.06516	0.5
123.04383	0.7
125.05984	0.8
125.41622	0.4
127.03902	1.6
129.05464	18.9
130.08563	0.4
133.04947	4.7
133.06468	0.7
135.04408	1.4
137.02333	6.2
137.05957	1.8
139.03860	3.8
141.05443	0.7
143.03406	1.1
145.04926	0.4
145.06479	0.4
147.04378	1.1
147.06505	9.5
149.02397	0.3
149.04443	0.7
149.05913	0.8
150.09398	0.3
151.03877	1.0
151.07553	0.7
153.01801	3.7
153.05455	1.3
157.04956	1.4
159.06479	0.8
161.05928	0.8
163.03903	1.9
163.06015	0.8
164.07051	0.7
165.01830	2.1
165.05457	1.0
165.07539	0.9
169.04938	1.7
171.06516	2.2
173.05998	0.7
175.06047	0.5
175.59818	0.4
177.05479	0.9
179.07030	1.4
181.04903	0.4
183.02902	0.7
183.06511	0.8
195.02966	0.6
195.06529	1.3
197.07986	0.5
199.06042	0.7
201.05359	1.8
207.06503	1.2
211.05994	0.7
213.07487	0.4
225.07550	10.1
229.04974	4.1
229.07101	0.6
239.09091	2.0
239.11473	0.7
243.08624	8.7
247.05904	0.8
247.08162	0.7
251.11531	0.4
257.04404	2.8
257.10172	1.4
261.09668	3.7
263.11664	1.0
265.09695	0.6
265.13306	0.5
274.04913	0.5
275.11264	1.0
279.10745	8.6
280.11768	0.5
285.03751	1.3
293.12302	0.8
295.10620	0.7
299.05402	1.0
302.04196	1.1
303.04959	100.0
304.05246	2.7
307.10617	0.4
309.12247	0.8
311.13464	0.4
315.04880	6.0
316.05655	1.4
323.13721	0.5
327.04898	2.4
329.06512	0.6
336.11032	0.7
337.11874	0.5
338.12296	0.6
339.05017	0.8
339.12909	0.5
341.06476	1.1
341.11108	0.4
345.05994	16.1
346.06378	0.5
353.06470	0.9
357.06302	0.8
367.08069	1.0
367.12708	0.8
368.13547	1.0
369.06024	5.8
369.14294	0.6
370.06119	0.4
375.07150	0.4
387.06662	0.4
390.09772	0.4
395.07437	2.3
413.08569	7.2
431.09644	5.6
435.09192	0.9
437.08542	0.4
441.38721	0.4
449.10733	18.2
450.11017	0.8
473.10455	0.9
477.09958	0.9
508.20435	1.0
510.22379	0.5
527.12341	0.5
539.21259	0.4
540.23114	2.0
576.19690	0.4
581.14899	7.1
595.16437	1.9
625.24951	0.5
665.27545	0.7
727.20758	0.6
859.38116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98134	0.9
61.02916	4.7
64.53812	0.9
65.03927	5.7
67.05494	88.0
69.03419	12.7
69.07056	42.5
69.51650	8.8
69.52057	1.6
70.06554	2.0
71.01334	1.3
71.04988	8.0
71.08619	17.9
73.02899	3.3
77.03909	2.0
79.05480	69.1
81.03407	22.8
81.07042	100.0
82.07353	1.3
83.04965	17.3
83.08605	29.9
85.02898	10.3
85.06528	7.0
85.10158	1.0
86.09692	1.3
91.05464	59.2
93.07028	72.3
95.04385	1.9
95.04953	19.5
95.08593	46.9
97.02872	6.8
97.06512	17.8
97.09573	1.2
97.10151	17.9
99.04427	3.6
99.08086	16.4
103.03922	1.3
103.05464	2.2
105.04494	1.1
105.07014	50.3
106.07360	1.5
107.04921	10.0
107.08573	50.0
109.02847	3.9
109.06518	7.9
109.10143	21.9
110.06848	1.0
111.04412	2.9
111.08040	7.6
113.09605	3.1
115.05407	1.9
116.07045	3.5
117.07005	23.4
119.04922	1.3
119.08560	36.9
120.08904	1.2
121.06482	6.6
121.10135	24.9
123.04438	1.1
123.08042	7.2
123.11674	7.2
125.09618	16.4
127.03883	7.5
128.06160	1.7
129.05446	3.5
129.06966	8.5
130.07748	0.9
131.08548	26.6
133.06445	2.6
133.10112	31.1
133.65240	1.0
134.10410	1.3
135.08058	6.0
135.11673	20.5
136.06146	2.4
137.05959	1.0
137.09589	4.2
137.13182	1.6
139.11194	2.3
141.06955	4.0
142.07736	1.3
143.08528	10.1
144.09265	1.4
144.38066	0.9
145.06441	2.3
145.10101	24.3
147.08018	3.2
147.11664	17.3
149.09595	15.3
149.13235	17.9
151.11165	14.7
151.14778	1.2
153.05727	1.0
153.07066	1.3
153.09081	2.2
155.08499	4.5
157.10094	7.1
159.11671	20.1
161.09615	2.8
161.13232	11.0
163.11165	15.4
163.14804	1.5
164.84175	1.0
165.12756	4.9
167.08519	1.4
167.10713	1.1
167.14262	1.3
169.10098	4.5
171.07959	1.4
171.10243	1.8
171.11658	7.6
173.04443	3.9
173.09712	1.6
173.11699	3.0
173.13237	6.7
175.11162	3.5
175.14786	3.5
177.12738	7.2
179.14246	6.2
181.10086	2.1
181.12181	1.3
183.11662	6.6
184.07323	6.1
185.13245	3.5
187.11159	2.1
187.14786	2.4
189.11197	8.7
189.12671	2.0
189.16345	1.6
193.12254	1.6
193.15868	1.0
195.11928	1.8
195.13780	7.3
195.82979	0.9
197.13248	3.8
199.14804	2.8
201.12741	1.8
201.16341	1.3
207.13722	2.1
209.13377	1.2
211.14745	1.4
213.16417	1.8
215.14296	1.4
215.17906	2.7
217.15808	1.5
219.13724	1.2
221.15320	2.0
225.16365	1.2
227.12733	26.6
229.14330	4.0
229.19406	2.3
231.21036	1.7
239.17923	2.5
241.19461	2.9
245.13750	2.9
247.20444	2.7
249.22028	1.7
251.16356	2.1
253.14183	1.6
253.18004	3.6
255.15903	9.2
257.19022	8.3
259.20407	5.2
261.14856	1.2
261.22098	1.0
267.15982	3.0
268.87552	1.1
269.17426	50.6
273.18201	1.0
275.20020	35.1
277.21622	22.3
278.22092	1.1
283.20334	1.0
291.19504	2.1
293.17932	1.1
293.21024	4.1
295.22736	1.6
303.16034	1.8
309.20947	1.0
313.21619	1.0
331.22574	2.9
335.25879	2.0
339.17908	1.1
349.23679	32.4
350.23996	1.6
351.25235	29.1
367.24835	5.9
369.26196	1.3
377.19394	1.2
392.68124	1.1
405.26331	1.0
413.21506	2.6
423.27145	3.2
431.27707	2.4
433.30246	1.8
435.32220	1.3
439.26999	2.7
441.34207	1.1
445.29443	3.9
447.31110	4.7
449.28909	13.1
451.32257	1.4
461.28519	1.5
463.30438	27.3
464.31329	1.3
469.33044	1.6
503.33591	2.1
505.34906	1.5
513.35712	1.6
515.37231	2.2
519.33032	2.3
521.34424	2.2
525.35651	4.1
527.37396	4.8
529.38580	1.5
531.36877	7.7
538.36108	1.0
543.36700	33.4
544.37115	2.2
545.38293	28.1
549.26471	1.6
561.37671	6.3
563.38879	1.9
583.32092	1.1
597.44928	1.5
607.34473	3.1
607.43793	1.7
625.44519	16.8
643.45691	6.1
858.46106	3.9
859.32458	1.5
859.47821	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98134	0.9
61.02916	4.7
64.53812	0.9
65.03927	5.7
67.05494	88.0
69.03419	12.7
69.07056	42.5
69.51650	8.8
69.52057	1.6
70.06554	2.0
71.01334	1.3
71.04988	8.0
71.08619	17.9
73.02899	3.3
77.03909	2.0
79.05480	69.1
81.03407	22.8
81.07042	100.0
82.07353	1.3
83.04965	17.3
83.08605	29.9
85.02898	10.3
85.06528	7.0
85.10158	1.0
86.09692	1.3
91.05464	59.2
93.07028	72.3
95.04385	1.9
95.04953	19.5
95.08593	46.9
97.02872	6.8
97.06512	17.8
97.09573	1.2
97.10151	17.9
99.04427	3.6
99.08086	16.4
103.03922	1.3
103.05464	2.2
105.04494	1.1
105.07014	50.3
106.07360	1.5
107.04921	10.0
107.08573	50.0
109.02847	3.9
109.06518	7.9
109.10143	21.9
110.06848	1.0
111.04412	2.9
111.08040	7.6
113.09605	3.1
115.05407	1.9
116.07045	3.5
117.07005	23.4
119.04922	1.3
119.08560	36.9
120.08904	1.2
121.06482	6.6
121.10135	24.9
123.04438	1.1
123.08042	7.2
123.11674	7.2
125.09618	16.4
127.03883	7.5
128.06160	1.7
129.05446	3.5
129.06966	8.5
130.07748	0.9
131.08548	26.6
133.06445	2.6
133.10112	31.1
133.65240	1.0
134.10410	1.3
135.08058	6.0
135.11673	20.5
136.06146	2.4
137.05959	1.0
137.09589	4.2
137.13182	1.6
139.11194	2.3
141.06955	4.0
142.07736	1.3
143.08528	10.1
144.09265	1.4
144.38066	0.9
145.06441	2.3
145.10101	24.3
147.08018	3.2
147.11664	17.3
149.09595	15.3
149.13235	17.9
151.11165	14.7
151.14778	1.2
153.05727	1.0
153.07066	1.3
153.09081	2.2
155.08499	4.5
157.10094	7.1
159.11671	20.1
161.09615	2.8
161.13232	11.0
163.11165	15.4
163.14804	1.5
164.84175	1.0
165.12756	4.9
167.08519	1.4
167.10713	1.1
167.14262	1.3
169.10098	4.5
171.07959	1.4
171.10243	1.8
171.11658	7.6
173.04443	3.9
173.09712	1.6
173.11699	3.0
173.13237	6.7
175.11162	3.5
175.14786	3.5
177.12738	7.2
179.14246	6.2
181.10086	2.1
181.12181	1.3
183.11662	6.6
184.07323	6.1
185.13245	3.5
187.11159	2.1
187.14786	2.4
189.11197	8.7
189.12671	2.0
189.16345	1.6
193.12254	1.6
193.15868	1.0
195.11928	1.8
195.13780	7.3
195.82979	0.9
197.13248	3.8
199.14804	2.8
201.12741	1.8
201.16341	1.3
207.13722	2.1
209.13377	1.2
211.14745	1.4
213.16417	1.8
215.14296	1.4
215.17906	2.7
217.15808	1.5
219.13724	1.2
221.15320	2.0
225.16365	1.2
227.12733	26.6
229.14330	4.0
229.19406	2.3
231.21036	1.7
239.17923	2.5
241.19461	2.9
245.13750	2.9
247.20444	2.7
249.22028	1.7
251.16356	2.1
253.14183	1.6
253.18004	3.6
255.15903	9.2
257.19022	8.3
259.20407	5.2
261.14856	1.2
261.22098	1.0
267.15982	3.0
268.87552	1.1
269.17426	50.6
273.18201	1.0
275.20020	35.1
277.21622	22.3
278.22092	1.1
283.20334	1.0
291.19504	2.1
293.17932	1.1
293.21024	4.1
295.22736	1.6
303.16034	1.8
309.20947	1.0
313.21619	1.0
331.22574	2.9
335.25879	2.0
339.17908	1.1
349.23679	32.4
350.23996	1.6
351.25235	29.1
367.24835	5.9
369.26196	1.3
377.19394	1.2
392.68124	1.1
405.26331	1.0
413.21506	2.6
423.27145	3.2
431.27707	2.4
433.30246	1.8
435.32220	1.3
439.26999	2.7
441.34207	1.1
445.29443	3.9
447.31110	4.7
449.28909	13.1
451.32257	1.4
461.28519	1.5
463.30438	27.3
464.31329	1.3
469.33044	1.6
503.33591	2.1
505.34906	1.5
513.35712	1.6
515.37231	2.2
519.33032	2.3
521.34424	2.2
525.35651	4.1
527.37396	4.8
529.38580	1.5
531.36877	7.7
538.36108	1.0
543.36700	33.4
544.37115	2.2
545.38293	28.1
549.26471	1.6
561.37671	6.3
563.38879	1.9
583.32092	1.1
597.44928	1.5
607.34473	3.1
607.43793	1.7
625.44519	16.8
643.45691	6.1
858.46106	3.9
859.32458	1.5
859.47821	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.464
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02924	2.9
65.03928	0.5
67.05126	0.5
67.05491	9.6
68.05840	0.5
69.03417	4.1
69.07056	7.0
69.07416	0.4
70.07396	0.4
71.01358	0.3
71.04973	0.5
71.08624	0.7
71.80042	0.3
73.02900	3.2
77.45415	0.2
79.05478	7.0
80.05843	0.5
81.03406	3.1
81.07043	8.8
82.07391	0.9
83.04974	1.9
83.08607	2.2
85.02893	3.7
85.06499	0.2
87.04471	0.4
89.97472	0.2
91.03934	1.9
91.05465	6.4
92.05812	0.6
93.07029	5.9
94.07383	0.8
95.04954	2.3
95.08580	3.7
96.08934	0.5
97.02875	5.2
97.06512	1.2
97.10147	3.3
99.04459	0.9
99.08083	0.7
101.02350	1.4
103.03893	0.2
105.07005	3.9
106.07367	0.6
107.04922	1.5
107.08571	4.8
108.08937	0.5
109.02898	0.7
109.06538	0.8
109.10140	3.3
110.10472	0.4
111.04429	0.4
111.08089	0.7
115.05435	0.3
117.07016	1.9
119.08563	2.9
120.08907	0.3
121.06472	1.0
121.10133	1.9
122.10569	0.2
123.04384	0.3
123.08043	1.1
123.11716	0.6
125.09620	3.0
127.03928	1.3
129.05473	0.3
129.06985	0.9
131.08545	2.3
132.08961	0.3
133.06438	0.3
133.10098	3.2
134.10483	0.6
135.08020	1.3
135.11650	1.6
136.12077	0.3
137.09624	0.5
143.08571	1.0
145.04980	0.2
145.10083	1.8
146.10477	0.4
147.08052	0.8
147.11653	1.2
148.12003	0.2
149.09628	0.8
149.13322	0.7
150.09923	0.3
150.13754	0.2
151.11165	1.5
153.09056	0.3
157.10117	0.5
159.11653	1.4
161.09637	0.5
161.13272	0.4
163.11160	1.2
165.09058	0.2
165.12669	0.2
169.10170	0.4
171.10277	0.3
171.11646	0.4
172.11946	0.3
173.13306	0.3
175.11127	0.5
177.12717	0.4
185.04185	1.1
189.11226	0.9
190.11671	0.2
191.14340	0.2
195.13823	0.5
203.05234	0.4
205.12280	0.4
223.13246	3.7
224.13705	0.3
227.12871	0.6
228.13278	0.4
241.06824	0.4
243.08380	5.3
253.14270	1.7
254.14688	0.5
259.20538	0.2
269.17438	1.7
270.17926	0.8
273.18481	1.7
274.18845	0.4
275.20142	1.0
276.20584	0.4
277.21664	0.5
291.19485	6.9
292.19785	1.9
293.21017	0.8
294.21368	0.4
301.09174	0.6
301.17822	0.7
313.08975	0.7
315.10406	0.3
331.18774	2.7
335.25809	0.4
347.22333	0.3
348.22534	0.2
349.23856	0.7
350.23935	0.3
351.25580	0.4
352.25604	0.4
365.23196	2.2
366.23627	1.0
367.24518	0.5
368.24924	0.5
369.15372	0.5
387.21204	1.0
429.22610	0.3
451.19632	0.3
457.40860	0.2
464.30112	0.3
508.18900	0.2
519.88800	0.2
528.37683	0.3
539.75793	0.2
542.35559	0.3
544.36462	0.3
546.93317	0.2
548.36462	0.3
549.26636	12.7
550.26880	0.4
559.36237	1.6
560.36523	3.4
562.38123	0.6
621.28906	0.6
624.44739	0.3
642.44055	1.6
695.42188	0.3
857.46405	100.0
858.46735	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	857.4643
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02921	4.4
63.07039	0.4
65.03944	0.5
67.05499	7.5
69.03423	4.2
69.07060	5.0
71.01354	0.5
71.04969	1.4
71.08623	1.0
71.79996	0.7
73.02914	3.8
79.05479	6.8
81.03399	3.4
81.07043	8.7
82.07371	0.8
83.04977	1.6
83.08612	1.9
85.02901	4.5
85.06545	0.9
91.03939	2.4
91.05466	6.8
93.07030	5.8
95.04979	3.2
95.08591	5.0
97.02888	5.1
97.06519	1.3
97.10152	2.3
99.04437	0.9
101.02392	1.6
105.07028	4.7
106.07382	0.5
107.04940	2.2
107.08576	3.3
109.02867	0.7
109.06521	1.4
109.10146	4.0
111.04408	0.6
111.08057	0.9
115.03893	0.5
117.07015	1.5
119.04945	0.5
119.08562	3.2
121.06480	1.2
121.10157	1.5
123.08064	0.8
123.11716	1.0
125.09600	2.0
127.03935	1.1
129.06967	1.0
131.08545	1.9
133.06529	0.8
133.10144	3.3
134.10486	0.7
135.08043	1.2
135.11703	1.3
136.06197	0.4
137.09630	0.6
143.08553	0.5
145.10141	1.1
147.08061	0.9
147.11693	1.5
149.09647	0.8
149.13306	0.5
151.11168	1.7
157.10164	0.9
159.11658	0.4
161.09570	0.6
161.13342	0.4
163.11195	0.8
171.11591	0.6
173.09660	0.5
175.11328	1.0
184.07401	0.6
185.13248	0.5
193.12209	1.3
203.05283	0.5
211.13312	0.6
223.13211	1.9
243.08372	4.3
243.10152	0.4
253.14386	1.9
254.14780	1.1
259.07861	0.4
269.17441	0.9
273.18604	1.2
275.20035	0.7
291.19598	2.4
292.19885	0.6
293.20999	0.8
294.21530	0.7
301.08994	0.9
313.17737	0.9
315.10474	0.9
331.18726	4.0
335.26083	1.1
336.26236	0.5
357.15192	0.5
365.23410	0.8
367.24854	0.5
368.25125	0.7
369.15457	0.5
373.11261	0.5
387.21286	0.9
437.17776	0.7
451.19330	1.5
531.26019	1.7
536.97662	0.4
549.26630	12.0
550.27606	0.7
560.36890	1.2
561.38104	0.6
562.37451	0.5
621.28925	1.5
642.44257	1.0
759.39136	1.9
788.39777	0.8
839.45300	7.9
840.46625	0.6
857.46448	100.0
858.46759	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	857.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.9
70.06596	1.9
71.79235	2.6
79.05495	1.5
81.03391	4.2
85.02869	1.6
91.05441	1.6
93.07053	2.0
94.06556	4.6
97.02914	3.4
99.04386	1.4
106.06539	5.4
108.08085	11.9
109.02874	2.5
110.06094	1.7
114.09170	8.5
119.04929	2.2
120.08076	4.2
122.06009	15.7
127.03864	2.7
130.08632	3.0
132.08083	1.4
134.05989	2.4
136.07562	8.2
137.05971	2.4
140.07079	2.2
145.02824	2.8
146.06004	5.8
146.09627	1.8
147.04404	4.1
148.07549	14.2
150.09135	3.8
150.57675	1.4
151.03850	1.5
152.07013	3.9
160.07568	2.0
162.09145	3.3
163.03888	2.7
163.07605	1.6
164.07079	14.7
165.07390	1.5
166.08598	19.4
168.06555	4.3
172.03923	7.0
174.05525	8.0
176.07045	3.2
177.05467	5.4
180.10220	2.7
190.04985	2.4
191.05678	3.8
192.06592	1.6
195.50079	1.3
195.79099	1.3
204.06548	6.9
208.09685	7.1
209.10629	2.5
210.11465	4.8
211.08504	1.8
211.12247	3.4
211.79942	1.3
221.10629	2.3
221.67218	1.3
222.11514	1.6
223.12254	6.7
224.09229	1.4
224.13087	2.4
225.10210	3.9
225.13861	4.9
226.11002	3.3
227.11801	2.9
235.08733	3.0
235.12325	2.4
236.09402	3.3
236.12959	2.0
237.10222	16.7
237.13947	4.3
238.10928	7.6
239.11754	21.3
240.12465	6.0
241.13307	2.9
243.11345	4.5
247.12320	1.4
248.09427	5.1
249.10185	14.0
250.10945	12.4
251.11755	43.7
252.12538	11.2
253.13318	33.6
254.13957	3.7
255.11081	1.7
258.11990	1.4
262.10928	3.1
263.08649	2.5
263.11746	50.0
263.36301	1.4
264.08856	2.4
264.12518	9.0
265.09744	14.3
265.13348	66.1
266.10376	3.0
266.14063	12.1
267.11356	9.5
267.14838	6.7
268.11859	3.8
269.12836	5.3
271.10757	1.5
271.14328	3.0
274.10663	3.2
275.11774	3.8
277.09720	11.1
277.13394	3.9
278.10419	10.2
279.11240	87.3
280.11884	9.8
281.09827	2.1
281.12811	12.2
282.13422	2.0
283.11017	1.9
283.14301	3.2
283.17126	1.5
285.12387	3.3
287.13882	1.7
291.11182	20.8
292.11862	8.4
293.12787	30.8
294.13403	7.2
295.10745	12.1
295.14426	4.8
296.11609	4.2
297.12296	23.7
298.12997	5.1
299.13895	5.7
305.12573	1.9
308.11316	2.4
309.12283	48.7
310.12933	31.6
311.13840	55.8
312.14581	6.6
313.12064	2.1
313.15332	11.2
315.13412	5.2
319.10718	18.2
320.11374	3.3
321.12253	11.7
325.11948	2.1
328.13736	6.8
335.13928	1.6
337.11774	58.9
338.12506	24.1
339.13324	23.0
341.11145	2.4
341.14886	1.7
351.09628	1.8
351.13394	10.3
352.14264	1.7
353.15094	7.3
357.14551	2.1
359.12592	2.1
369.14429	28.2
370.15100	6.4
371.15939	10.8
373.13934	3.7
379.12814	4.2
380.13654	1.8
381.14359	5.3
383.15723	4.3
384.13055	3.0
393.14246	1.9
395.15863	6.6
398.14633	1.7
399.15625	6.8
400.16272	6.6
409.13257	1.9
411.15546	13.3
412.16272	1.9
413.17319	7.0
414.17929	2.5
419.15994	2.7
432.18832	1.7
434.17133	2.3
435.15494	4.3
437.16943	5.6
439.15002	10.5
440.15918	3.7
441.16635	8.8
442.17380	2.1
444.18924	2.6
453.16531	12.4
454.17239	7.0
455.18091	25.5
456.18689	4.4
459.17554	2.9
463.15060	6.6
464.15735	2.4
465.16425	1.7
467.20068	2.6
469.16409	1.6
471.17575	18.8
472.18384	8.8
473.19016	11.7
478.19910	3.1
480.21204	19.5
481.15970	29.3
481.22302	2.8
482.16837	13.6
483.17416	9.8
494.19202	2.4
495.18414	1.9
499.17056	44.5
500.17798	12.6
501.18478	9.2
506.19232	22.0
513.18860	9.2
514.19318	2.4
515.19922	3.3
524.20325	8.6
531.19666	33.3
532.20215	3.2
533.21252	9.0
538.21802	58.3
539.22003	2.8
566.20416	1.6
602.21088	2.0
606.24078	4.1
619.26355	1.8
620.21484	2.2
624.25305	25.4
627.23907	4.0
632.21844	5.1
638.22565	3.9
640.24188	2.5
642.26105	10.8
645.25464	7.2
646.23669	3.2
650.23358	46.5
651.22510	2.5
656.23828	2.7
659.26880	2.2
663.26440	20.6
664.25677	2.7
668.24371	100.0
669.24615	5.4
682.26074	30.2
683.25140	2.5
695.29413	7.6
700.27063	66.8
701.27081	3.8
747.28772	2.0
753.27563	2.0
763.31427	2.1
771.28540	9.5
789.29468	10.3
803.31458	3.7
807.30762	22.3
808.29205	2.2
825.31268	5.7
839.33557	7.8
857.34344	7.2
878.54718	1.9
883.11084	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	857.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	3.0
70.06579	3.6
71.79439	0.9
71.79900	1.5
72.29370	0.9
73.02909	1.6
79.05467	1.2
81.03387	4.5
83.04992	1.9
84.08146	0.9
85.02888	4.0
87.07960	1.2
91.05480	1.4
93.07014	1.2
94.06563	4.2
95.04956	1.6
97.02882	2.6
98.04779	0.8
99.04429	1.0
103.05476	1.0
106.06534	5.2
108.08096	14.6
109.02842	5.6
114.09151	7.1
114.10269	0.9
119.04950	1.5
120.04427	1.1
120.08106	2.2
122.06004	13.9
122.06834	1.6
122.09565	1.1
124.07608	1.4
127.03878	2.0
130.08589	2.0
131.08813	0.9
132.08054	1.1
134.06029	2.6
136.07568	5.6
137.05952	3.5
140.07025	1.6
144.04407	1.2
145.02777	1.4
146.05975	5.8
147.04399	3.3
148.07535	15.0
150.09151	4.2
151.07512	1.2
152.07098	3.3
154.05019	1.3
160.07613	2.6
162.05479	1.2
162.09097	2.1
163.03926	1.1
164.07045	6.0
166.08632	7.4
168.06570	5.1
172.03896	6.9
173.04709	1.6
174.05511	4.0
176.07076	3.3
177.05450	3.5
178.08566	1.0
190.05017	3.4
190.08643	1.7
191.05714	2.9
192.06581	2.0
202.08606	1.0
204.06516	7.3
206.08157	2.5
207.06413	1.2
208.09651	3.9
209.10645	2.3
210.11427	4.2
211.12251	4.5
212.13116	1.7
213.10143	1.7
221.10722	2.5
222.11429	2.1
223.12292	6.3
224.13048	2.5
225.10269	3.4
225.13766	5.1
227.11783	3.0
235.08719	2.6
235.12309	4.2
236.09184	2.0
236.13025	2.2
237.10181	14.8
237.13730	4.3
238.10843	6.8
238.14603	1.6
239.11757	22.7
239.15485	1.0
240.12439	4.4
241.13367	3.6
243.11185	2.6
247.08556	1.3
247.12233	1.8
248.09314	5.5
248.13193	1.0
249.10172	15.6
249.14059	1.4
250.10927	15.1
251.11748	44.4
252.12529	11.1
253.13310	38.0
254.14047	2.8
255.14919	1.8
262.10992	3.1
263.11768	46.3
264.09021	3.0
264.12531	9.4
265.09769	13.3
265.13358	56.0
266.10538	3.8
266.14087	13.5
267.11334	9.4
267.14667	8.0
268.11954	3.7
268.15808	1.7
269.12805	5.3
271.14456	1.1
274.10742	3.4
275.11734	3.0
276.09125	0.9
276.12671	1.9
277.09732	12.0
277.13385	4.5
277.16370	1.9
278.10455	12.4
279.11240	90.0
280.11948	11.5
281.12698	12.1
282.13623	1.7
283.11139	1.6
283.14426	3.3
285.12390	3.1
287.13864	2.1
290.10446	1.3
291.11218	20.4
291.14276	1.7
292.11908	8.6
293.12799	29.8
294.13431	5.3
295.10773	11.3
295.14368	6.4
296.11459	3.5
297.09030	1.4
297.12308	15.0
298.13025	2.2
299.13763	5.1
301.12061	0.9
305.12543	1.6
307.10739	1.8
308.11417	1.6
309.12308	26.4
310.12848	24.7
311.13831	48.9
312.14462	6.8
313.11838	5.3
313.15448	11.8
315.13431	3.7
317.12833	1.1
319.10712	13.4
320.11536	2.6
321.12262	13.6
322.12885	1.0
323.10135	1.1
323.13779	2.6
325.11591	2.5
325.15387	1.9
328.13913	9.5
335.13971	1.3
336.10931	1.5
337.11752	11.7
337.15176	1.4
338.12546	5.6
339.13416	16.0
341.11246	3.9
341.15018	2.2
343.13068	1.5
351.09567	1.7
351.13364	11.1
352.14081	1.8
353.14914	9.2
354.15735	1.5
355.12689	2.0
356.13794	1.5
357.14407	1.8
358.15341	1.5
359.12646	1.1
365.14752	1.3
369.14426	11.5
370.15494	2.5
371.16125	4.6
372.17191	1.1
373.13965	8.0
374.14554	1.6
377.14908	1.6
379.12552	4.6
381.14346	4.9
382.15411	1.1
383.15997	3.4
384.12933	1.4
384.17218	2.0
393.14346	1.5
395.16031	6.9
396.16907	1.7
397.17477	1.2
398.14722	2.5
399.15536	5.5
400.16486	5.8
405.14496	1.7
411.15439	14.6
412.16211	2.6
413.16943	8.4
414.17859	1.6
415.18646	1.5
416.15891	1.9
417.14542	1.8
419.16095	3.2
422.15280	1.3
423.15512	3.2
425.17017	2.2
426.18039	1.2
427.18808	1.9
429.16965	0.9
431.18112	2.8
434.17230	1.6
435.15616	5.1
436.16171	1.7
437.16937	9.1
438.17761	2.2
439.14801	12.1
439.19464	1.1
440.15601	3.1
441.16388	6.8
442.17148	1.5
443.18478	1.9
445.14038	3.2
446.14627	1.4
447.15820	1.1
449.19394	1.1
453.16550	11.8
454.17166	5.6
455.18088	23.4
456.18747	5.1
457.19720	1.4
458.17389	1.1
459.17603	4.1
463.14932	6.6
464.15488	2.1
465.16550	2.0
467.20111	2.7
471.17557	22.9
472.18393	7.6
473.19125	10.1
474.19330	1.2
480.21143	2.8
481.08945	1.6
481.15955	31.5
482.16785	13.7
483.17706	9.5
484.18253	1.1
488.18451	1.3
495.17987	1.4
499.17044	49.6
500.17706	14.1
501.18579	10.5
506.18878	2.2
513.18573	12.4
514.19336	3.3
515.19958	3.6
524.20270	2.0
531.19617	28.8
532.20093	3.4
533.21387	7.7
538.21808	7.6
556.22760	1.3
579.21252	1.4
588.23273	5.8
602.21179	2.9
603.23175	1.7
606.24689	5.1
614.20667	3.3
620.21954	2.6
624.25439	25.4
632.22192	6.6
638.23010	3.5
639.23383	1.4
642.26379	13.9
645.25580	5.2
646.23895	5.6
650.23315	51.0
651.23804	1.4
652.24451	1.5
656.24640	1.6
663.26483	4.2
664.24908	4.6
668.24365	100.0
669.24554	5.5
677.28186	1.7
682.25952	30.7
683.26044	1.3
700.27014	68.0
701.27173	4.0
705.26617	1.5
747.28760	1.4
753.27161	2.8
771.28369	12.2
789.29828	11.0
803.30530	2.3
807.30573	23.2
808.30756	1.4
808.97736	1.2
821.31824	3.2
825.31592	5.7
839.32990	7.8
857.33533	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	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.4
65.03924	5.0
67.05492	80.4
68.05788	1.0
69.03418	10.3
69.07053	45.1
69.84126	5.2
69.84538	1.8
71.01317	2.5
71.04990	5.2
71.08615	1.0
73.02905	0.9
77.03900	1.6
79.05476	72.5
81.03407	14.8
81.07041	100.0
82.07378	0.9
83.04965	15.7
83.08601	20.0
85.02886	7.5
85.06512	5.3
91.05463	58.6
93.07025	70.3
95.04943	17.0
95.08587	45.8
97.02887	5.4
97.05921	0.7
97.06502	19.7
97.07085	1.7
97.10148	17.7
99.04428	1.9
99.08061	4.0
101.02383	0.9
103.03919	0.9
103.05453	1.2
105.04486	1.3
105.07009	51.9
107.04935	12.9
107.08572	55.8
109.02866	4.1
109.06488	10.7
109.10137	17.0
111.08065	7.3
113.09627	2.1
115.05430	3.5
117.07000	23.6
118.50934	1.0
119.08562	39.5
121.06486	7.6
121.10117	20.6
123.08050	6.0
123.11686	6.4
125.09612	13.7
127.03902	4.4
128.06215	1.2
129.05434	1.9
129.06987	9.4
130.07776	1.6
130.58684	0.9
131.08546	27.5
133.06462	2.7
133.10100	33.3
135.08025	8.6
135.11665	19.4
135.12627	1.6
137.09607	5.7
137.13312	1.1
139.07515	2.0
139.11122	1.9
141.06976	2.8
142.07771	1.8
143.08534	9.2
145.06490	1.5
145.10101	21.2
147.08020	2.9
147.11653	18.7
149.09599	18.3
149.13216	15.5
151.11142	5.2
153.09071	1.7
155.08485	5.7
157.10097	7.4
159.07983	2.1
159.11661	22.3
161.07584	1.0
161.09602	3.3
161.13223	7.4
163.11133	12.9
163.95747	1.1
165.09100	1.2
165.12732	2.6
167.08514	1.7
169.10063	5.1
171.10223	2.1
171.11684	6.7
173.04416	3.0
173.09554	1.8
173.11816	2.0
173.13199	8.9
175.11168	3.0
175.14812	1.5
177.12772	6.5
179.14273	4.6
181.10100	1.9
181.12227	1.8
183.11656	5.6
185.09445	1.0
185.13194	4.4
187.11177	1.8
187.14796	2.0
189.11186	6.8
189.12668	2.0
191.14230	1.1
195.11897	1.8
195.13797	7.7
197.13239	2.9
197.68271	1.0
199.14804	2.3
201.12709	1.8
207.13693	1.0
209.13321	1.9
211.14777	1.0
213.16467	1.0
217.15977	1.4
225.16243	1.3
227.12709	20.0
227.14729	1.2
229.14349	3.0
229.19481	2.6
231.17354	1.2
239.17950	3.8
245.13844	3.1
247.20502	3.0
253.14247	2.4
253.17883	2.6
255.15820	13.1
257.18967	12.4
267.15848	3.3
269.17416	41.4
273.18457	1.7
275.20007	53.6
276.20477	2.6
293.21179	4.3
299.19946	1.0
303.15921	1.6
309.75360	0.9
313.21701	1.9
313.59967	1.0
321.24271	1.4
331.22656	4.7
332.22687	1.0
349.23679	51.8
350.24118	1.9
353.24591	1.4
365.23315	1.5
367.24615	6.5
377.27985	1.0
409.25827	1.1
413.21472	2.2
423.27206	2.7
431.27823	2.1
433.30209	1.5
439.26779	2.4
445.29535	2.3
447.30856	1.7
449.28824	17.3
451.32077	2.7
463.30496	26.6
464.30890	1.1
469.33145	1.8
503.33463	1.8
515.36963	1.6
519.33105	3.2
525.35730	5.2
527.37512	1.2
529.35236	11.8
543.36713	60.3
544.36768	2.6
547.36316	1.8
561.37897	7.9
593.33221	1.6
597.36920	1.1
607.34924	2.3
623.42999	8.3
640.41962	1.0
641.43958	5.2
705.41089	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71910	1.0
61.02914	2.5
65.03919	4.1
67.05497	81.9
69.03417	11.8
69.07057	52.5
70.99491	2.9
71.01352	1.4
71.04980	7.7
71.08610	1.2
73.02906	1.9
73.06538	1.3
77.03917	1.5
78.32127	1.0
79.05483	75.9
81.03404	18.1
81.07045	100.0
82.07410	1.5
83.04974	16.2
83.08608	24.9
85.02892	6.8
85.06531	6.2
91.03943	1.6
91.05466	67.9
93.07031	74.0
95.04948	16.8
95.08595	47.8
97.02884	6.6
97.06514	23.5
97.10151	22.6
99.04449	3.1
99.08079	4.1
103.05470	2.2
105.07019	59.8
107.04938	15.6
107.08577	60.4
109.02872	4.2
109.06509	11.8
109.10136	20.8
111.04453	2.1
111.08065	8.9
112.88184	1.0
113.09637	2.6
115.05447	2.5
117.07007	22.6
119.07716	2.0
119.08566	39.3
119.90116	1.1
121.06509	8.7
121.10129	24.8
121.86804	0.9
123.08042	7.3
123.11713	6.2
125.09614	19.4
127.03890	4.7
128.06219	3.3
129.05489	2.3
129.06975	11.8
130.07788	1.6
131.04878	1.3
131.08546	31.3
133.06471	2.4
133.10115	36.2
135.08052	10.0
135.11664	21.1
135.12624	1.6
137.09624	6.5
137.13155	1.2
139.11201	2.9
141.06973	4.7
142.07751	2.5
143.08539	11.2
144.49443	1.0
145.05081	1.0
145.06480	3.4
145.10112	28.9
147.08047	4.2
147.11665	19.4
149.09607	24.0
149.13235	12.3
151.11153	4.5
153.09129	2.3
155.08571	5.3
155.10629	1.2
156.09341	1.5
157.10120	10.6
159.08014	2.4
159.11687	25.7
161.09598	4.3
161.13237	8.3
163.11153	15.1
163.14845	1.0
165.09088	1.6
165.12778	3.1
167.08603	2.0
169.10098	6.0
170.10799	1.0
171.10167	2.9
171.11679	10.6
173.04475	4.4
173.09590	2.3
173.11772	1.8
173.13263	9.0
175.11191	3.4
175.14801	1.8
177.12730	6.9
179.10835	1.6
179.14322	6.1
181.10107	3.5
181.12280	1.8
182.10835	1.2
183.11673	6.0
185.13249	5.7
187.11179	4.1
187.13248	1.1
187.14810	2.7
189.11246	10.4
189.12711	1.3
189.16292	1.3
191.14365	2.0
195.11794	2.5
195.13808	6.0
197.13292	4.8
199.11246	1.4
199.14807	2.7
201.12692	2.1
205.12308	1.3
205.15686	1.4
207.13654	1.4
209.13240	2.3
211.14830	2.9
213.16519	2.1
215.14372	2.4
215.17911	1.4
217.19405	1.0
219.17169	1.1
224.31578	1.0
225.16420	1.1
227.12752	31.4
228.13217	1.2
229.14241	4.8
229.19458	3.3
233.15390	1.2
239.17912	6.6
245.13838	3.9
247.20560	4.7
251.16402	1.4
253.18158	3.0
255.15776	13.0
257.18970	20.1
258.19223	1.3
259.20499	1.9
267.15979	4.2
269.17441	39.8
273.18329	1.8
275.20044	75.8
276.20413	3.0
293.21082	6.8
299.19965	1.3
313.21463	1.7
321.24243	1.8
331.22525	5.5
349.23691	67.1
350.24103	2.5
365.23422	1.2
367.24908	6.8
368.25009	1.2
389.18198	1.7
403.28036	1.5
413.21878	2.0
423.27304	4.3
425.25421	1.7
429.30716	1.1
431.27963	2.8
433.30505	3.3
434.59787	1.0
435.27356	1.4
439.26810	3.0
445.29428	3.1
447.31320	2.5
449.29037	16.4
451.31760	2.9
463.30518	18.8
469.33221	1.8
503.33484	2.7
511.34222	2.7
515.37500	1.5
519.32867	5.3
525.35626	7.4
527.37225	1.9
529.35266	16.4
530.35510	1.5
543.36737	58.0
544.37030	3.8
547.36047	2.0
559.36707	1.1
561.37750	6.3
605.41156	1.3
607.34753	2.4
623.42828	20.1
624.43384	1.7
641.43774	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	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33771	0.6
61.02927	2.9
65.03937	2.5
67.05496	100.0
68.05831	1.5
69.03433	2.9
69.07057	17.1
69.66195	3.3
69.66625	2.4
71.01337	1.5
71.04995	4.0
71.08630	0.9
73.02910	2.8
74.09711	0.8
79.05482	41.7
80.05805	0.9
81.03406	8.6
81.07047	60.9
82.07370	1.2
83.04977	6.4
83.08608	15.8
85.02895	12.2
85.06530	2.7
87.04462	2.6
91.03961	1.4
91.05470	24.1
93.07032	45.9
95.04954	6.3
95.05505	0.8
95.08593	41.8
97.02887	5.0
97.06508	5.6
97.10158	14.3
97.10789	1.0
99.04444	0.9
99.08087	1.6
103.03914	1.8
105.04514	0.9
105.07013	16.0
105.07704	1.0
107.04948	2.7
107.08577	27.2
109.02852	0.7
109.06510	2.2
109.10143	56.7
110.10484	1.6
111.04462	1.3
111.08070	4.4
115.05426	0.8
117.06995	5.3
119.08566	14.2
121.06495	1.2
121.10129	18.2
123.08050	2.4
123.11714	4.6
125.09619	15.8
129.05484	1.7
129.06992	1.9
131.08548	9.6
133.10104	10.3
135.08023	1.4
135.10725	1.3
135.11681	15.1
137.09587	3.9
137.13249	1.3
139.11150	1.4
143.08568	1.3
143.10660	1.5
145.10115	9.0
147.11681	6.2
149.09610	1.2
149.13252	6.0
151.14914	0.7
153.12741	2.6
155.10657	3.6
157.08592	0.8
157.10054	1.0
159.11667	5.8
161.09515	0.7
161.13234	3.1
163.11186	6.8
163.14798	2.8
165.12712	1.2
171.11685	1.3
173.09555	1.0
173.11734	15.8
173.13249	4.9
175.11076	0.8
175.14799	1.3
177.16357	1.1
181.12198	1.7
185.11743	0.7
185.13309	1.3
187.14838	2.4
189.11150	1.7
191.10667	2.1
193.12209	1.8
199.11591	1.0
199.13219	5.5
201.16255	0.8
209.11661	4.3
211.13188	0.7
217.14377	1.0
227.12724	7.7
229.14323	44.2
230.14720	2.3
231.14899	0.8
243.21092	5.4
257.13855	2.1
259.20493	1.4
261.22089	14.5
267.15833	3.8
277.21524	0.9
283.15378	2.0
299.23663	0.6
300.13416	1.1
301.16440	14.1
317.24957	2.9
327.23151	1.2
335.25769	86.1
336.26117	2.4
341.30304	1.9
342.30811	1.7
399.23752	12.0
451.31949	0.8
459.34555	0.9
477.35657	7.5
489.35690	21.6
495.40149	1.3
497.40820	1.9
505.99185	0.8
527.37103	1.2
543.36450	2.2
561.37744	6.9
579.39081	3.5
602.94855	0.8
659.45081	22.3
660.45380	1.4
722.24133	0.8
731.63770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	9.8
65.03927	1.0
67.05492	59.8
68.05829	0.9
68.32770	0.3
69.03405	1.8
69.07056	5.3
69.44641	2.7
69.45065	1.0
70.16725	0.3
71.04984	3.1
71.08620	16.4
73.02903	2.9
75.07179	0.3
79.05473	2.7
81.03388	1.1
81.07039	15.8
83.04964	0.4
83.08601	7.5
83.09056	0.5
85.02890	12.2
85.06512	2.0
85.10168	8.5
89.06030	0.8
91.03944	6.4
91.05457	4.2
93.07020	3.6
95.04960	0.4
95.08588	14.7
97.02873	5.7
97.10159	3.9
98.20696	0.6
99.04433	0.7
99.08057	0.5
99.11714	0.5
103.03933	0.4
103.07558	0.6
105.07022	0.6
107.08568	1.7
109.02859	0.5
109.10135	66.2
110.10493	1.1
111.08067	3.0
111.11684	1.7
112.35478	0.3
117.06995	0.4
119.08570	5.1
120.38869	0.3
121.10116	0.8
123.11679	1.9
125.09648	0.5
127.03898	2.6
131.08536	0.5
133.10098	0.9
135.11714	0.4
137.09575	3.4
137.13249	0.8
144.06482	0.4
145.04927	3.1
153.02364	0.3
155.10623	3.1
160.09645	0.4
163.05960	3.6
165.05359	0.4
173.11702	18.0
174.12012	0.4
175.14447	0.3
176.14223	0.4
179.21089	0.3
180.08711	0.4
202.15884	2.8
224.18793	0.3
229.14307	100.0
230.14624	2.0
239.91478	0.3
267.26788	0.8
273.18427	0.5
285.27808	1.2
300.13583	3.2
335.25763	1.2
341.30441	72.9
342.30789	3.5
348.11673	0.4
365.23236	0.3
489.35626	1.0
495.40350	64.9
496.40692	4.2
639.44580	0.5
804.51398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02883	0.9
65.03922	4.3
67.05494	63.6
68.05814	0.9
69.03417	4.7
69.07056	15.4
71.04396	1.7
71.79371	0.8
71.79781	1.2
76.98596	0.6
77.03918	1.2
79.05483	37.3
81.03406	7.1
81.07041	42.8
81.11848	0.7
83.04964	6.4
83.08610	11.1
84.08128	1.0
85.02888	2.4
85.06528	12.3
91.03923	1.2
91.05466	35.9
93.07027	39.7
94.07343	1.0
95.04953	59.5
95.08593	22.9
95.09186	1.7
97.02863	2.2
97.06524	9.8
97.10142	4.6
99.04432	1.5
102.09158	2.4
103.05454	1.9
105.04532	1.0
105.07017	31.1
106.07395	0.7
107.04939	14.7
107.08575	29.5
109.02852	1.5
109.06502	58.9
109.10135	9.2
110.06811	0.8
111.04416	1.4
111.08031	3.6
113.05989	26.5
113.09606	1.0
115.05413	2.7
115.07554	0.9
117.06995	19.2
119.08567	19.2
121.06476	6.4
121.10130	11.5
123.08047	4.4
123.11702	2.4
124.35493	0.8
125.09597	5.2
127.03878	1.6
128.06207	2.8
129.06982	9.3
130.07745	1.8
131.04869	0.8
131.08551	22.4
133.06480	5.0
133.10118	16.6
135.08035	43.0
135.11673	14.1
137.05956	1.8
137.09579	2.7
141.06949	2.4
142.07713	0.9
143.08549	12.0
145.06435	3.5
145.10106	15.6
147.08003	5.8
147.11650	7.1
148.11679	0.7
149.09586	9.6
149.13242	5.3
151.11128	2.0
153.09023	0.8
155.08553	2.7
157.10115	7.5
159.08015	3.8
159.11671	12.4
160.09801	1.1
161.09607	7.7
161.13237	3.0
163.07498	1.0
163.11166	7.7
165.09097	2.3
165.12805	0.9
167.08644	1.2
168.09383	0.7
169.10103	3.2
171.11615	5.8
173.04378	1.3
173.09517	1.6
173.11771	1.4
173.13193	5.9
175.11154	3.1
175.14874	0.8
177.12737	4.7
179.14323	2.2
181.10020	1.4
183.11690	3.0
185.09566	1.6
185.13174	2.5
187.11143	2.0
187.14778	1.4
189.11275	1.4
189.12726	1.5
195.11716	2.0
195.13786	2.7
197.13190	1.7
199.11200	1.3
199.14749	3.7
201.12715	1.6
207.11714	0.8
217.15874	9.9
227.12737	6.5
227.17903	2.1
229.19469	1.1
233.15341	1.5
235.16830	0.9
237.16359	2.2
239.17815	1.6
241.19630	0.9
245.19023	2.8
248.29111	0.8
251.16238	1.1
255.15862	3.7
255.32709	0.8
257.18900	3.9
259.20398	1.2
267.15646	1.1
269.17444	15.9
273.18463	35.5
274.18829	1.3
275.20029	17.7
278.73267	0.8
279.15778	3.1
283.15308	1.4
289.18063	1.1
291.19501	100.0
292.19803	3.0
293.20978	1.0
309.20566	2.1
331.22437	1.2
333.24030	1.7
338.95352	0.8
347.22134	12.6
349.23712	25.9
365.23184	22.5
365.27716	1.2
367.24615	2.3
381.22675	1.3
413.21686	1.4
501.31900	1.9
514.28589	0.8
519.33044	1.7
527.33661	2.7
541.35144	14.8
543.36548	1.2
545.21466	0.8
545.34760	14.6
559.36267	44.0
560.36353	2.7
581.38177	1.2
621.41388	14.2
622.41718	1.1
639.42432	33.2
640.42596	2.4
657.43378	4.9
703.40131	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	854.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.7
65.03931	4.9
67.05492	70.0
68.05819	1.0
69.03422	4.7
69.07058	18.3
70.06577	1.2
71.01280	0.8
71.78944	1.4
73.02893	1.4
77.03875	1.0
79.05479	43.7
81.03406	9.0
81.07040	49.8
82.07374	1.3
83.04973	6.8
83.08605	10.9
84.08151	0.8
85.02891	2.4
85.06532	12.5
85.57495	0.8
91.05463	39.7
92.05790	1.0
93.07028	41.1
94.07396	0.9
95.01336	1.1
95.04952	71.3
95.08588	27.3
97.02873	3.1
97.06514	12.7
97.10150	6.5
97.18938	0.8
99.04421	1.6
99.08093	1.5
102.09165	2.3
103.05452	2.1
105.07014	33.4
107.04929	14.3
107.08574	30.2
107.09304	1.0
108.08937	0.7
109.06500	64.1
109.10143	9.1
111.04435	1.4
111.08041	5.4
113.05991	30.8
115.05443	2.6
116.06264	1.3
116.07057	1.0
117.06995	19.3
118.07334	0.9
119.04888	1.4
119.08562	21.7
119.09402	1.4
121.06484	8.1
121.10132	12.4
123.08044	5.8
123.11685	2.1
125.09612	3.0
127.03892	1.7
128.06198	2.9
129.06981	8.8
130.07779	1.7
131.08546	23.7
133.06450	4.1
133.10104	21.0
135.08031	50.8
135.11655	11.6
137.05930	1.8
137.09583	2.1
141.06969	2.4
142.07770	2.2
143.08536	13.3
144.09262	1.2
145.06465	2.5
145.10104	19.5
147.08014	5.7
147.11642	8.0
149.02197	0.9
149.09601	13.1
149.13223	5.3
151.07507	0.9
151.11214	1.9
154.07779	0.8
155.08540	2.6
157.10092	8.0
159.08054	4.3
159.11665	13.7
160.09763	1.5
161.09633	7.8
161.13231	3.4
163.07555	1.5
163.11151	8.6
165.09087	1.5
165.12784	1.0
169.10068	2.5
171.11653	7.2
173.04443	1.9
173.09602	2.7
173.11858	1.2
173.13165	4.6
175.11198	4.2
175.14743	1.2
177.12781	4.2
179.14272	1.8
181.10089	1.5
183.11665	3.5
185.13249	3.0
187.11147	2.4
187.14803	1.3
189.11214	1.8
189.12717	1.9
189.16302	0.9
195.11478	1.2
195.13792	2.3
197.13263	1.0
199.11176	1.8
199.14778	4.2
201.12698	2.9
203.14368	1.2
213.12796	1.0
215.14380	0.8
217.15820	11.5
219.13724	1.0
222.77451	0.8
227.12720	5.9
227.17957	1.7
229.14227	1.7
233.15251	1.9
237.16489	1.4
239.17923	0.8
241.19513	0.9
245.18983	2.7
247.20523	0.8
251.16461	1.1
255.15678	2.7
255.17572	2.8
257.18973	5.2
259.20453	1.5
269.17441	13.8
273.18454	36.8
274.18671	1.4
275.20020	18.5
279.15829	1.9
291.19489	100.0
292.19778	2.3
293.21075	1.7
309.20389	1.3
329.21136	0.9
331.22549	1.6
333.24384	1.4
347.22110	13.4
349.23660	24.8
350.24200	1.1
365.23169	23.6
367.24774	3.0
381.22757	0.9
413.21765	2.5
501.32275	1.8
517.31787	1.1
519.33185	1.1
527.33484	2.8
529.35449	1.0
541.35150	14.3
542.68054	1.1
545.34613	15.4
546.34882	0.9
559.36212	43.5
560.36621	1.8
599.38959	0.9
621.41315	13.7
639.42395	35.5
640.42157	1.8
657.43451	6.4
703.40057	3.2
831.44232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.5
65.03914	5.9
67.05495	92.5
69.03402	7.6
69.07053	35.9
70.06567	2.6
71.04965	7.4
71.79169	2.6
79.05485	79.7
81.03407	12.3
81.07044	89.0
83.04968	11.9
83.08603	23.1
84.08147	1.7
85.02867	6.0
85.06522	7.9
87.04436	3.9
88.11775	1.7
91.03901	2.2
91.05465	97.1
93.07030	73.5
95.04958	27.0
95.07984	3.5
95.08590	54.9
96.55232	1.6
97.02864	6.3
97.06498	16.9
97.09641	1.9
97.10160	19.2
99.04457	3.0
99.08083	4.0
103.05427	7.1
105.07018	77.6
107.04946	16.2
107.08578	54.0
107.09307	2.4
109.02846	2.6
109.06509	23.6
109.10130	24.8
109.57567	1.7
111.08076	8.3
113.05972	5.2
113.09617	1.9
115.05435	11.3
116.06206	6.3
117.06998	49.9
119.04935	2.4
119.08566	51.5
121.06495	11.5
121.09354	2.2
121.10141	23.4
123.04456	1.8
123.08050	9.3
123.11677	3.9
125.05959	1.6
125.09641	16.5
127.03879	3.5
128.06201	23.2
129.05530	2.7
129.07001	27.3
130.07771	10.9
131.08545	89.8
132.08896	2.1
133.06461	8.9
133.09157	2.1
133.10115	34.8
135.04411	1.8
135.08025	16.0
135.11688	14.6
137.09616	4.9
139.07454	2.0
139.11191	1.8
141.06976	10.9
142.07744	6.8
143.08542	95.3
145.06412	5.2
145.10101	100.0
146.10429	2.0
147.08069	10.0
147.11681	19.8
149.09599	18.6
149.13205	7.2
151.07512	1.8
151.11127	4.4
153.07051	2.7
154.07758	4.1
155.08554	12.4
157.10104	26.9
158.10982	2.0
159.08034	5.8
159.11671	31.3
161.09615	13.6
161.13190	9.7
163.07460	2.0
163.11151	16.4
165.06953	3.9
167.08487	5.3
168.09319	2.8
169.10106	20.8
171.11650	21.2
173.09546	4.1
173.11681	4.7
173.13249	7.5
175.11166	10.2
176.40904	1.7
177.12752	7.1
179.08490	2.0
179.14256	4.1
180.09361	2.5
181.10083	13.6
181.12033	2.3
182.10846	2.2
183.11671	12.3
185.09512	2.2
185.13217	9.8
187.11163	5.7
187.14835	2.2
189.11221	4.1
189.12730	3.3
193.12279	1.7
195.11650	20.2
195.13672	4.5
197.13254	6.4
199.11156	1.9
199.14793	3.0
201.12701	4.7
201.16478	1.9
203.14366	2.3
208.12376	1.7
209.13232	2.7
211.14778	2.3
213.12724	4.8
213.16374	2.0
217.15778	2.9
221.13307	2.1
227.12708	19.2
227.14491	2.0
227.17868	7.3
229.14302	14.2
229.19438	1.7
231.13863	3.9
237.16348	19.5
239.17952	3.0
245.13696	3.5
245.18990	6.2
247.20412	2.6
255.17622	21.4
257.18948	9.2
267.15863	4.6
269.17432	25.9
273.18460	84.6
275.20032	37.0
276.20303	2.2
291.19522	20.5
308.99228	1.8
329.21042	13.1
347.22092	48.9
349.23676	45.5
365.23282	6.0
367.24710	7.1
501.31726	3.1
517.30981	2.2
523.34003	3.0
527.33490	10.2
529.36261	3.5
530.35846	2.4
541.35181	40.2
545.34552	3.6
553.33539	2.8
559.35956	7.5
581.37964	2.5
593.41278	2.7
603.40259	4.1
621.41400	54.7
623.38324	1.8
639.42487	26.4
744.50006	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	854.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70680	0.5
61.02887	0.7
65.03922	3.0
67.05494	59.0
67.05827	2.5
67.17075	0.5
69.03421	12.6
69.07057	41.4
69.65518	5.1
71.04670	0.7
71.04932	5.2
73.02877	0.8
73.06541	0.6
77.03870	1.2
79.05481	50.4
80.05822	0.6
81.03409	11.6
81.07043	64.4
82.07349	1.2
83.04964	10.7
83.08607	15.3
85.02911	3.3
85.06535	3.6
87.04433	0.6
91.05466	44.7
93.07028	48.3
95.01299	1.4
95.04953	15.6
95.08593	27.5
97.02326	0.7
97.02877	10.8
97.05948	0.8
97.06506	12.0
97.10150	16.5
99.04384	1.7
99.08050	1.3
103.05397	1.5
105.04525	0.7
105.07013	38.1
107.04248	0.7
107.04941	12.5
107.08577	37.7
109.02813	2.2
109.06491	7.3
109.10136	20.9
110.10419	0.6
111.04385	2.1
111.08062	4.6
113.05942	0.7
113.09602	1.3
115.05369	1.7
115.07548	0.6
116.06179	0.9
117.07001	17.0
119.04875	1.6
119.08562	26.4
121.06482	7.7
121.10119	16.2
123.04352	1.8
123.08054	5.5
123.11697	5.1
125.05918	0.7
125.09612	13.8
127.03889	1.5
128.06151	1.8
128.33049	0.6
128.78319	0.6
129.05444	0.9
129.06984	6.6
130.07750	1.3
131.04842	1.0
131.08546	18.3
133.06470	5.1
133.10109	31.1
134.07137	0.7
135.07048	0.6
135.08037	8.3
135.10741	0.9
135.11668	12.0
137.05928	1.0
137.09615	4.0
139.07487	1.1
139.11156	1.0
141.06932	2.0
142.07745	1.4
143.08543	5.7
144.09354	0.8
145.06418	2.0
145.10103	16.2
147.08038	6.1
147.11653	10.6
149.05795	0.6
149.09589	12.9
149.13216	9.8
151.11166	9.9
153.09056	1.9
153.12633	0.9
155.08524	2.7
156.09253	0.8
157.06329	0.8
157.10103	5.6
159.08023	1.7
159.11664	12.6
160.08708	0.6
161.09621	5.6
161.13234	3.8
163.11160	7.5
163.14708	0.6
165.09035	1.6
165.12712	1.4
169.10080	2.7
169.12160	2.5
171.08011	1.0
171.10257	1.0
171.11620	4.2
173.04437	1.3
173.09598	1.0
173.11763	1.1
173.13156	4.4
175.11136	4.1
177.08943	0.6
177.12727	4.2
179.10600	1.4
179.14272	2.5
181.10107	1.0
181.12140	1.3
183.11633	2.0
185.09583	0.8
185.13217	2.3
187.11127	1.8
187.13164	0.6
188.45226	0.5
189.11156	6.0
189.12744	1.7
191.10718	0.9
193.12193	1.6
195.11819	1.0
195.13734	4.6
197.13318	0.7
199.11104	1.0
199.14761	1.7
201.12721	0.8
203.14261	1.2
205.12190	2.0
209.13286	0.6
211.14807	1.0
213.12822	1.0
213.14676	1.4
213.16461	1.0
215.12695	1.0
217.15797	0.7
221.11551	0.7
223.13274	17.1
227.12726	15.7
227.17830	1.6
229.19495	0.8
231.13760	0.8
233.15324	1.1
235.16885	0.7
239.17891	2.4
245.13786	1.4
245.18965	2.4
247.20561	1.8
249.14874	3.7
251.12737	1.0
251.16278	0.9
253.14305	19.1
255.15680	7.5
257.18961	7.4
263.16370	0.6
263.20081	1.9
267.15912	1.8
269.17438	26.9
271.15353	1.5
273.18454	21.6
274.18872	0.7
275.20010	24.3
276.20328	0.8
291.19492	100.0
292.19803	2.2
293.21024	1.6
297.22116	0.7
309.20581	2.3
313.21744	0.7
321.24286	1.0
329.20966	0.6
331.22632	1.1
347.22040	5.8
349.23709	21.0
350.24139	0.8
365.23169	50.9
366.23642	1.9
367.24701	2.6
376.74786	0.6
413.21698	1.1
423.23801	1.7
439.26413	0.7
447.27142	0.7
461.29028	2.3
479.30057	1.2
519.32880	1.8
527.33710	2.1
535.32721	1.0
541.35248	4.6
543.37030	1.4
545.34692	19.7
546.35126	1.0
559.36230	75.4
560.36432	4.4
563.35193	0.6
583.35693	0.9
599.39240	0.6
611.42871	1.2
621.41278	3.3
639.42487	24.3
640.42676	1.5
657.43463	3.5
685.39471	0.7
703.40387	1.3
854.46094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.2
65.03925	2.8
67.05494	42.9
69.03087	0.6
69.03423	11.2
69.07057	37.2
71.05013	3.9
73.02867	0.5
77.03892	0.8
79.05480	40.3
80.05810	0.7
81.03405	9.4
81.07042	47.6
83.04961	9.3
83.08604	14.0
85.02893	3.3
85.06535	2.5
91.05464	31.8
93.07030	39.7
95.01315	1.0
95.04955	12.2
95.08596	20.3
97.02877	10.4
97.03470	1.1
97.05935	0.9
97.06516	11.7
97.10144	15.4
98.21534	0.9
99.04433	1.2
99.08060	1.0
103.05479	1.2
105.04520	0.7
105.07015	27.2
107.04934	11.2
107.08575	26.1
107.09312	1.1
109.02844	1.9
109.06502	5.3
109.10134	11.8
111.04414	1.6
111.08073	4.1
113.09597	1.0
115.05410	1.0
116.06256	0.8
117.06998	14.3
119.04898	1.7
119.08562	19.9
121.06486	5.3
121.10126	11.2
123.04427	1.0
123.08055	4.7
123.11694	2.9
125.09608	12.6
127.03895	2.2
128.06187	1.5
129.06979	6.1
130.07747	1.3
131.04851	0.6
131.08551	15.7
133.06470	4.0
133.10107	16.5
134.07304	1.2
135.08046	7.1
135.11676	8.8
137.09595	2.9
137.13271	0.6
139.11131	0.9
141.06955	1.2
142.07724	0.9
143.08519	5.3
145.06454	1.4
145.10101	11.7
147.08034	6.2
147.11646	8.1
149.09590	9.4
149.13222	7.2
151.07491	0.5
151.11157	2.5
153.09073	1.1
155.08498	1.3
157.06450	0.6
157.10097	4.4
159.08049	1.1
159.11673	9.6
161.09579	3.8
161.13194	3.1
163.11157	7.5
165.09138	1.5
165.12671	1.2
167.08479	0.6
169.10100	2.1
169.12253	1.0
171.10240	1.2
171.11658	3.1
173.04402	1.2
173.09604	0.9
173.11885	0.8
173.13182	3.2
174.11629	0.5
175.11125	2.9
175.14774	0.8
177.12733	3.2
179.10574	0.7
179.14281	2.2
181.10095	1.0
181.12157	0.9
183.11705	1.7
185.09683	0.7
185.13237	2.0
187.11179	1.7
187.14774	1.0
189.11214	5.9
189.12701	1.0
191.14227	0.6
193.12219	1.5
195.12164	0.7
195.13770	4.1
197.13223	1.3
199.11447	0.5
199.14810	1.1
203.14429	0.7
205.12187	2.3
213.14786	0.9
215.17920	0.7
217.16032	0.6
223.13246	19.0
224.13628	0.5
227.12729	15.1
227.17862	1.1
229.19449	1.5
229.51820	0.6
233.15295	0.9
239.17863	2.1
245.18974	1.2
247.20660	0.9
249.14847	3.6
253.14262	2.4
253.17973	0.7
255.15698	5.9
257.18958	6.0
261.14899	0.9
263.20093	1.4
267.15759	2.5
269.17450	15.9
273.18448	14.5
275.20020	21.3
276.20392	0.6
291.19495	100.0
292.19800	3.3
293.21039	1.9
297.16803	1.2
309.20538	1.0
321.17026	0.9
321.24393	0.7
331.22559	1.9
347.22021	3.1
349.23697	21.9
350.24142	0.8
365.23184	47.9
366.23322	1.3
367.24854	1.4
413.21603	1.6
461.28781	2.0
479.29849	1.0
501.32126	0.8
513.36102	0.5
517.12067	0.6
519.32935	1.6
527.33179	0.6
535.32404	1.9
541.35382	3.0
543.36383	1.0
545.34705	14.3
546.34625	1.1
559.36218	51.5
560.37006	2.5
575.35785	0.6
591.39117	0.7
611.42792	0.8
621.41205	1.6
639.42487	27.8
640.42297	2.1
657.43683	3.8
703.40057	0.8
707.77808	0.5
854.45630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	16.1
63.76495	0.4
64.88364	0.5
65.03929	2.6
67.05492	81.7
68.05821	0.5
69.03413	6.5
69.07056	15.4
70.98246	0.4
71.01346	1.6
71.04982	6.4
71.08610	0.5
71.78794	0.4
73.02905	7.3
75.04461	0.5
77.03883	0.6
79.05476	34.4
80.06269	0.5
81.02922	0.8
81.03403	15.0
81.07039	63.2
82.07387	1.0
83.01320	1.0
83.04967	9.0
83.08603	20.3
85.02889	28.3
85.06532	4.3
87.04445	4.2
91.03934	10.6
91.05460	23.4
93.07024	35.8
95.04947	8.7
95.08586	21.3
96.04462	0.6
97.02871	13.9
97.06509	9.5
97.09554	0.8
97.10149	12.4
99.04434	2.6
99.08060	2.2
101.02335	0.6
103.03933	1.5
105.07011	11.5
107.04949	3.6
107.08573	24.1
109.02885	1.1
109.06512	3.8
109.10135	48.6
110.10488	0.6
111.04417	2.4
111.08065	6.9
111.11686	0.4
113.05994	1.2
115.03969	0.9
115.05412	0.5
116.04703	1.0
116.06255	0.5
117.06990	7.2
119.08565	9.8
121.06493	3.1
121.10118	10.3
123.08037	2.5
123.11697	3.5
125.05997	0.7
125.09606	12.2
125.10471	0.8
127.03896	5.7
127.07517	0.7
127.11124	0.5
129.05455	5.0
129.06931	2.0
131.08539	8.4
133.06459	0.7
133.10104	12.0
135.08049	2.2
135.11662	10.3
135.12614	0.9
137.09593	2.7
139.11147	0.8
143.07048	1.4
143.08521	0.6
143.10660	1.5
145.04929	5.2
145.06512	0.6
145.10095	5.0
147.08043	1.6
147.11644	5.6
149.09599	1.7
149.13231	11.9
151.11153	1.6
153.09137	0.8
153.12726	3.0
155.08583	0.7
155.10612	3.2
157.08784	0.6
157.10121	1.8
159.11656	6.5
160.39507	0.4
161.13330	0.4
163.05986	6.1
163.11143	7.4
165.12727	4.1
167.14323	0.6
167.43956	0.4
171.10147	0.8
171.11694	0.8
173.04422	1.5
173.09639	1.0
173.11711	14.3
175.11174	1.9
177.12723	4.0
180.08640	0.6
181.12241	2.6
185.11736	1.1
189.11198	0.8
191.10649	3.1
193.12195	6.0
195.13776	11.5
195.15578	0.8
195.47556	0.5
199.13245	6.4
209.11714	6.4
211.13229	5.2
211.14816	0.5
213.14845	1.9
227.12753	9.5
229.14308	47.3
230.14696	1.0
233.15234	0.5
239.16359	4.8
245.13702	0.7
249.14902	0.9
257.13776	0.9
265.14334	1.4
267.15839	13.2
269.17426	50.7
270.17932	1.4
283.15338	7.9
285.16986	1.8
295.15530	0.5
295.18829	0.6
297.16904	1.0
301.16397	18.0
313.16388	2.3
323.18536	2.0
339.23184	0.7
357.24149	1.3
393.26385	1.8
411.27304	5.0
422.26547	0.8
423.27325	37.6
424.27884	1.0
431.27814	5.4
445.20749	0.6
449.28894	3.9
459.27081	1.1
477.28357	5.4
495.29443	100.0
496.29800	3.0
511.80307	0.5
513.30499	28.9
514.30389	0.9
639.33295	0.6
657.34387	0.6
743.44092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02603	0.5
61.02918	8.7
64.94516	0.3
65.03925	0.5
67.05496	8.6
68.05824	0.4
69.03423	5.3
69.07062	1.6
70.02174	1.8
71.01352	0.7
71.05000	0.7
73.02908	5.5
76.59158	0.3
79.05488	4.3
81.03411	2.9
81.07052	6.1
83.01353	0.3
83.04974	1.0
83.08614	1.1
85.02898	9.0
85.06525	0.4
87.04481	0.6
91.03953	6.1
91.05471	3.7
91.30791	0.3
93.07032	5.0
93.07578	0.4
95.04955	1.5
95.08593	4.1
97.02880	8.8
97.06521	0.5
97.10162	0.4
98.21530	0.3
99.04440	1.5
101.02358	2.6
103.03954	0.6
103.13466	0.3
105.07032	2.5
107.04944	0.5
107.08582	2.4
109.02887	1.2
109.06436	0.4
109.10151	5.7
110.10458	0.3
111.08078	0.6
114.21159	0.2
115.03958	1.0
116.32289	0.3
117.07032	1.0
119.08579	2.3
121.06493	0.3
121.10155	1.9
123.08086	0.6
123.11726	0.4
125.09634	0.5
127.03902	3.3
129.05486	0.3
129.06963	0.5
131.08574	1.2
133.10123	2.2
135.08028	0.5
135.11723	1.0
145.04979	0.5
145.10118	0.9
147.11678	0.8
149.09619	0.3
149.13235	0.4
151.11230	0.6
159.11617	0.8
161.13382	0.3
173.11748	1.1
173.13152	0.4
185.04222	1.0
187.14929	0.3
195.09964	0.9
203.05243	0.7
223.13535	0.5
227.12761	0.4
229.14383	0.8
243.08369	2.6
251.12616	0.5
253.14406	0.8
259.07874	0.3
261.74500	0.3
269.17664	0.6
273.18460	0.9
275.20099	0.9
291.19522	1.5
305.08649	0.4
335.25906	1.1
338.71729	0.3
342.35962	0.3
347.09506	3.6
363.09149	0.5
365.10541	1.5
365.23462	1.0
405.13617	7.1
413.17795	7.4
440.87897	0.3
519.29248	9.4
520.29529	0.6
545.35394	0.4
559.36298	1.2
575.23108	5.5
575.31635	0.5
638.41290	0.5
681.34424	8.9
682.35358	0.4
691.40082	2.4
853.45428	100.0
854.45618	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	854.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	16.0
61.20589	0.5
63.23837	0.5
65.03915	2.7
67.05489	87.9
68.05819	0.6
69.03413	5.2
69.07053	14.4
71.01544	0.8
71.04971	6.2
71.08636	0.7
73.02895	8.6
77.03906	0.7
77.75782	0.5
79.05476	36.4
81.03399	12.8
81.07037	66.1
82.07359	0.8
83.01322	0.7
83.04958	8.4
83.08600	21.8
85.02885	29.4
85.06527	5.4
85.81045	0.5
87.04441	3.1
91.03937	12.3
91.05457	25.6
93.07021	36.7
94.07371	0.7
95.04951	7.9
95.08585	19.2
95.09178	1.1
96.04494	0.9
97.02867	11.6
97.06506	8.3
97.10146	12.7
99.04449	2.0
99.08083	2.6
103.03934	1.6
105.04532	0.6
105.07010	9.0
106.85699	0.6
107.04930	3.5
107.08570	26.7
109.02881	1.7
109.06484	2.7
109.10133	47.7
110.10502	0.6
111.04424	1.8
111.08062	7.4
113.05973	1.0
115.03944	1.3
116.04707	1.1
117.07001	9.0
119.08558	8.2
121.06461	3.4
121.10115	11.6
121.10958	0.9
123.08048	3.1
123.11684	3.8
123.53275	0.5
125.05988	0.5
125.09598	11.5
127.03901	5.0
127.07581	0.6
128.06404	0.5
129.05464	4.8
129.06989	2.2
131.08533	9.2
133.06531	0.8
133.10098	13.9
135.08055	2.1
135.11653	10.4
137.09596	3.5
139.11179	1.1
143.07024	0.7
143.08548	0.7
143.10654	1.5
144.06622	0.8
145.04918	6.6
145.10104	4.4
147.08044	1.4
147.11632	4.6
149.09538	2.3
149.13217	11.2
151.11177	1.8
153.12677	2.8
155.10580	3.1
157.10115	1.4
159.11687	7.0
163.05994	6.3
163.11130	6.8
165.12724	2.3
167.14282	0.7
171.11554	0.6
173.09587	1.7
173.11702	13.2
175.11168	1.3
177.12752	4.0
180.08655	1.1
181.12262	2.0
185.11739	1.7
185.13269	0.8
189.11227	0.7
191.10619	2.7
193.12219	3.6
195.13770	15.5
199.13254	5.0
209.11673	5.6
211.13184	2.3
213.14827	2.0
227.12727	7.4
229.14301	41.7
239.16365	3.2
249.14796	0.8
251.16354	0.8
251.69611	0.6
255.15848	0.7
257.13812	6.7
265.14331	1.6
267.15863	11.6
269.17410	59.5
270.17764	1.2
283.15311	6.3
285.16919	1.8
291.37732	0.7
295.19205	0.6
297.16953	1.4
301.16394	15.4
319.22556	0.5
323.22260	0.7
339.23343	0.6
352.75354	0.5
357.24310	1.3
358.03226	0.5
393.26300	3.5
411.27231	5.6
422.26581	0.7
423.27322	48.5
424.27548	1.5
431.27756	2.1
439.26871	1.0
449.29062	2.0
459.27112	1.2
463.30157	0.7
477.28372	5.0
487.56253	0.5
495.29404	100.0
496.29584	3.3
513.30475	25.0
514.31030	0.6
525.36957	0.6
657.34729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77990	0.5
61.02907	0.7
65.03918	2.1
67.05493	46.1
68.99765	0.6
69.03419	4.7
69.07054	12.1
69.65678	3.4
69.66087	1.0
71.01358	0.8
71.04990	4.1
71.77782	0.4
73.06514	0.6
79.05008	1.1
79.05479	29.7
81.03406	7.8
81.07042	49.2
82.07380	0.6
83.04968	8.9
83.08602	5.0
85.02892	1.3
85.06520	5.0
91.05466	47.6
93.07029	32.9
95.04960	10.2
95.08588	18.6
97.02852	1.1
97.06512	5.3
97.10143	2.0
99.04414	1.7
103.05437	2.1
105.04533	0.7
105.07016	40.5
106.07288	0.6
107.04943	8.4
107.08578	31.0
108.08872	0.6
109.02862	0.9
109.06503	7.6
109.10139	36.7
110.10447	0.9
111.04437	1.1
111.08083	2.6
113.06002	1.4
115.05437	1.7
116.06201	0.5
116.07111	0.6
117.06995	6.5
119.04938	0.5
119.08570	11.6
121.05666	0.8
121.06494	8.8
121.10126	7.1
123.04393	1.7
123.08036	3.6
123.11677	7.3
125.06010	0.6
125.09622	1.3
127.07542	1.9
128.06190	2.2
129.06987	4.3
130.07831	0.6
131.04933	0.6
131.07022	0.5
131.08548	11.6
133.06497	5.1
133.10107	60.5
134.10471	0.7
135.08038	7.7
135.11646	4.7
137.05975	0.9
137.09581	2.0
139.07457	1.1
141.06982	1.4
142.07774	0.8
143.08548	4.9
145.06474	1.6
145.10095	6.9
146.07245	0.7
147.08017	3.7
147.11632	3.4
149.09599	6.2
149.13234	0.8
151.11156	30.7
153.12692	0.9
155.08492	1.0
157.10123	3.7
159.07986	1.7
159.11642	2.6
161.09595	7.4
161.13257	2.4
163.07570	0.9
163.11166	2.2
163.14864	0.5
165.09099	1.1
165.12791	0.6
169.10086	1.3
169.12184	4.9
171.11661	2.6
173.09586	1.5
173.13226	1.5
175.11156	4.0
175.14803	0.7
177.09048	1.5
177.12743	1.5
179.10634	3.0
179.14214	0.5
181.10149	0.7
183.11687	0.8
185.13240	2.3
187.11111	0.9
187.14804	0.7
189.12654	1.1
191.10629	0.9
193.12198	0.8
195.13858	0.7
197.11711	0.9
199.11153	1.2
199.14833	1.0
201.16429	0.7
203.14278	1.1
213.12674	0.6
213.16267	0.7
215.12732	4.1
219.13782	0.6
223.13298	0.8
227.17918	1.5
229.14259	0.8
237.16365	1.3
244.06940	0.5
245.19028	4.1
249.14902	0.6
251.12759	1.8
253.14308	100.0
254.14670	1.9
255.17503	2.7
263.19980	3.3
265.79901	0.5
271.15326	3.9
273.18445	30.2
275.19986	0.7
287.15286	0.6
291.19516	24.4
292.19931	0.8
309.20612	1.5
329.21057	1.7
335.25714	0.6
347.22125	9.2
365.23160	30.5
421.25601	2.0
449.25293	15.0
493.38770	0.6
515.33722	0.8
525.32166	1.0
543.33118	7.2
561.34155	9.8
619.39856	0.7
637.40784	5.3
655.41980	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.1
66.04675	0.4
66.61958	0.4
67.05492	45.0
68.05816	0.5
69.03039	0.5
69.03419	10.1
69.07056	24.9
70.34847	0.7
70.35241	1.3
70.94506	0.4
71.01327	0.5
71.04981	3.6
71.08617	0.4
72.87115	0.4
73.02883	0.4
73.06518	0.5
77.03905	0.8
79.05480	33.0
81.03400	7.9
81.07043	44.5
82.07358	1.0
83.04494	0.6
83.04965	9.0
83.08603	9.3
83.34509	0.4
85.02869	1.6
85.06533	3.6
87.04433	0.6
91.05463	38.0
92.05772	0.5
93.07027	32.2
94.04176	0.6
94.07343	0.6
95.01297	1.5
95.04950	11.3
95.08590	17.4
96.08891	0.5
97.02878	7.5
97.06513	5.5
97.09558	0.6
97.10153	8.8
99.04411	1.5
99.08070	0.9
103.05450	1.2
105.03387	0.8
105.07013	32.5
106.07300	0.6
107.04942	9.7
107.08576	25.0
108.08930	0.6
109.02867	1.2
109.06491	6.0
109.10137	27.3
110.10452	0.6
111.04405	1.5
111.08051	3.0
111.96097	0.4
113.05968	1.3
115.05421	1.3
116.06210	0.9
117.06995	9.8
119.04934	2.2
119.07706	0.8
119.08563	15.8
120.05659	0.6
120.08893	0.4
121.06496	8.2
121.10127	7.2
122.10498	0.5
123.04412	1.4
123.08051	5.8
123.11693	5.2
125.05996	0.7
125.09612	6.9
127.07524	1.2
128.06203	1.5
129.05463	0.5
129.06978	5.4
130.07759	1.1
131.04922	0.5
131.08548	14.4
133.06470	5.2
133.10107	39.5
134.07245	1.2
134.10432	0.8
135.08022	8.9
135.11668	5.3
136.06158	10.2
137.05960	0.4
137.09573	2.8
139.07555	0.6
141.06973	1.1
142.07709	0.9
143.08527	6.1
145.06425	1.1
145.10098	8.8
147.08031	7.2
147.11661	5.2
149.09583	5.5
149.13234	2.0
151.11151	17.5
153.09113	1.2
153.12718	0.6
155.08582	1.0
157.10123	4.0
159.08034	3.4
159.11658	4.5
161.09610	7.2
161.13245	2.4
162.10330	0.6
163.07544	0.7
163.11128	2.1
165.09079	1.4
165.12698	0.7
169.10115	1.2
169.12234	3.7
171.10405	0.5
171.11687	3.2
173.09598	1.7
173.13168	1.1
175.11118	4.7
175.14752	0.7
177.09065	1.9
177.12721	1.8
179.10635	0.9
181.10065	0.5
181.12254	0.5
183.11652	0.6
185.09561	0.8
185.13200	1.7
187.11163	1.3
187.14807	0.5
189.11177	2.7
189.12756	1.8
193.12181	1.6
195.11754	1.0
195.13751	1.0
197.11646	0.9
199.10974	0.9
199.14798	0.9
201.12732	0.5
203.17937	0.5
205.12222	1.8
207.13731	0.6
211.13135	0.4
213.12747	0.7
213.16342	0.6
215.12677	2.3
217.12315	0.5
217.15932	0.6
223.13237	13.4
223.15282	0.8
227.12764	4.2
227.17886	1.7
233.15297	0.6
235.16789	0.5
237.16408	1.0
245.18929	4.9
249.14804	3.3
251.12672	2.1
253.14305	52.9
254.14648	1.6
255.17464	2.4
261.18484	0.5
262.15784	0.4
263.20004	3.8
267.15964	1.9
271.15292	0.9
272.08380	0.4
273.18445	38.4
274.18759	1.4
275.19928	0.7
289.17902	0.8
291.19495	100.0
292.19788	3.6
309.20450	2.7
329.21115	1.5
334.26334	0.4
347.22107	13.3
348.22675	0.6
365.23178	52.5
366.23523	1.8
383.24463	0.9
423.23691	1.0
539.33575	0.6
543.32983	5.3
557.34625	2.1
559.32416	1.8
561.34143	16.9
562.34247	0.8
573.33813	0.6
575.35559	1.3
587.35681	0.6
619.38684	0.5
637.40930	12.8
638.40863	0.9
655.41943	38.3
656.42157	2.6
673.42969	0.8
676.45331	0.4
770.08240	0.5
852.49170	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	852.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	3.4
67.05492	49.4
68.99783	0.8
69.03411	4.8
69.07056	13.9
70.25089	1.7
70.25502	2.3
71.04972	4.6
73.02882	1.3
77.53463	0.6
79.05480	33.0
80.68937	0.6
81.03408	11.7
81.07042	55.5
82.07365	1.1
82.55331	0.6
83.04961	9.1
83.08610	8.2
84.08113	3.9
85.02867	2.6
85.06519	5.6
85.10174	1.0
91.05463	53.4
92.05814	1.5
93.07026	38.9
95.01274	0.6
95.04376	1.2
95.04948	13.9
95.07982	1.4
95.08589	21.6
95.66871	0.6
97.02856	0.9
97.06521	5.3
97.10143	2.7
99.04427	2.0
99.08048	1.9
101.06021	0.7
101.42639	0.7
103.05453	2.2
105.04514	1.0
105.07012	44.1
107.04939	8.5
107.08577	34.0
109.06490	8.2
109.10139	42.4
110.00697	0.9
111.04431	1.5
111.08050	2.6
113.05987	2.1
115.05449	2.0
116.06207	1.5
117.07003	8.2
119.04905	1.4
119.08557	13.9
121.06480	12.2
121.10117	7.3
123.04433	1.8
123.08031	4.4
123.11694	7.6
125.09559	1.7
127.03842	0.8
127.07483	2.0
128.06210	2.9
129.06995	5.8
130.07739	1.2
130.08617	6.9
131.08537	14.9
133.06473	6.6
133.10104	66.8
134.10493	0.9
135.08025	9.1
135.11674	5.1
136.06163	46.8
137.09598	2.8
137.13281	0.6
139.07526	1.2
141.06998	1.2
143.08553	5.7
145.06456	1.6
145.10103	9.4
147.08006	5.3
147.11674	4.9
149.09592	8.7
149.13240	0.7
151.11150	30.2
155.08580	1.2
157.06456	0.9
157.10110	4.9
159.08058	2.8
159.11655	3.8
160.09698	1.1
161.09589	9.5
161.13268	3.0
163.07471	1.3
163.11174	2.6
165.12708	1.2
167.08444	0.9
169.10030	1.0
169.12186	5.2
171.08026	1.0
171.11644	4.0
173.09628	1.9
173.13235	1.4
175.11134	4.1
175.14751	1.0
177.09048	2.2
177.12662	1.8
179.10622	3.3
181.12155	0.8
183.11679	1.0
185.13269	1.5
187.11171	1.7
189.12708	3.1
191.10608	0.8
193.12209	1.4
195.11731	1.0
195.13660	0.8
197.11729	0.9
199.11169	1.2
203.14394	0.7
207.13710	1.0
209.11522	0.9
209.13301	0.9
213.12776	1.1
213.16283	1.2
215.12680	4.6
217.12238	0.9
223.13181	0.8
227.17920	1.6
237.16342	1.7
245.18948	5.9
251.12683	3.6
253.14305	100.0
254.14626	1.9
255.17375	3.0
263.20038	5.0
264.12396	0.8
267.15872	2.1
271.15265	4.5
273.18445	38.2
274.18851	1.3
275.19958	0.9
283.15283	0.7
289.18063	0.9
291.19501	32.3
309.20621	2.4
313.27213	2.0
329.20978	1.7
335.25906	0.9
338.27908	0.8
347.22061	12.5
365.23175	34.4
366.23535	1.1
383.24222	1.0
405.64651	0.7
419.23831	0.8
421.25870	1.9
449.25250	14.8
505.38766	1.1
525.31671	1.7
529.38654	1.2
543.32959	8.1
557.34235	0.8
561.34149	13.0
619.39520	1.8
637.41022	6.9
655.41968	27.3
656.41492	1.4
852.49475	6.1
853.49219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.5
62.32057	0.3
65.03909	2.4
67.05492	45.4
68.05788	0.3
69.03419	9.2
69.07056	25.9
70.91982	0.8
70.92320	0.5
71.04979	3.9
71.08604	0.8
73.02897	0.8
77.03890	1.0
79.05478	32.1
81.03403	8.9
81.07040	47.1
83.04504	0.6
83.04964	9.1
83.08604	9.9
85.02880	1.8
85.06528	3.7
87.04445	0.5
91.05463	44.6
92.05749	0.5
93.07026	32.5
94.04137	0.4
94.86253	0.4
95.01305	1.0
95.04952	12.5
95.08587	18.1
97.02309	0.5
97.02870	7.2
97.06510	5.8
97.09576	0.6
97.10147	9.6
99.04414	1.6
99.08083	0.6
101.05956	0.9
103.05412	1.7
103.58552	0.4
105.03358	0.7
105.04493	0.8
105.07011	36.4
106.07326	0.5
107.04935	11.3
107.08574	30.6
109.02821	1.0
109.06500	7.9
109.10134	35.5
110.10504	0.5
111.04393	1.0
111.08054	3.2
113.05965	1.3
115.05402	1.7
115.07539	0.7
116.06175	1.0
117.06997	10.0
119.04897	1.1
119.07729	0.8
119.08560	16.5
120.05690	0.5
121.06485	7.6
121.10118	6.7
123.04388	1.5
123.08047	5.3
123.11678	5.4
125.05946	0.7
125.09611	6.9
127.03808	0.5
127.07521	2.0
128.06178	2.1
129.06203	0.4
129.06987	5.1
130.07713	1.0
130.08606	0.5
131.04881	0.7
131.08539	12.8
133.06471	6.3
133.10101	45.0
134.07237	0.8
134.10399	0.6
135.08029	8.1
135.11671	4.7
136.06161	25.7
137.04597	0.4
137.05844	0.4
137.09578	2.7
137.68230	0.3
139.07544	0.6
139.11159	0.6
139.32724	0.4
141.06932	0.9
142.07735	1.5
143.08540	5.7
144.09300	0.4
145.06442	1.2
145.10095	8.6
146.07216	0.5
147.08020	6.8
147.11656	4.7
149.08478	0.5
149.09583	6.1
149.13225	1.9
151.11156	21.0
153.06961	0.5
153.09039	1.0
153.12703	0.6
155.08472	1.1
157.10103	4.2
159.08029	2.0
159.11668	3.7
161.08401	0.5
161.09615	6.4
161.13258	1.7
162.10333	0.7
163.07481	0.8
163.11192	1.8
165.09070	1.3
169.10042	1.3
169.12204	4.3
171.07954	0.5
171.10234	0.6
171.11635	2.6
173.09572	1.4
173.11827	0.5
173.13196	1.5
175.11168	4.3
175.14845	0.4
177.09148	2.2
177.12759	1.9
179.10631	2.0
181.12131	0.7
183.10104	0.5
184.07343	0.4
185.09595	0.8
185.13187	1.4
187.11101	1.0
187.13208	0.4
187.14806	0.7
189.11151	3.0
189.12720	1.1
193.12199	1.4
195.11694	0.9
195.13698	1.1
197.11662	1.0
199.11166	0.9
199.14696	0.4
203.14160	0.4
205.12198	1.9
211.13174	0.5
211.14928	0.5
213.12794	0.9
213.14682	0.5
213.16580	0.5
215.12701	2.2
217.15674	0.4
221.11636	0.5
223.13242	14.5
227.12703	3.5
227.17828	1.2
231.17189	0.4
233.15393	0.4
237.16321	0.7
245.19002	4.1
249.14847	3.9
250.18806	0.4
251.12781	3.1
253.14302	96.8
254.14606	1.8
255.17439	2.9
261.18509	0.5
263.20026	3.4
267.16010	2.1
271.15289	0.6
273.18436	34.3
274.18536	0.4
275.19974	0.4
283.15372	0.6
291.19485	100.0
292.19836	2.6
297.16913	0.4
309.20499	1.9
313.27255	1.4
329.21033	1.0
347.22104	11.6
365.23166	51.4
366.23535	1.1
393.22925	0.4
423.23965	1.7
543.32990	4.5
557.34485	1.0
559.32593	1.1
561.34143	16.8
562.33783	0.6
575.35785	1.4
627.41510	0.4
637.40906	9.7
655.41931	33.9
656.42041	1.7
676.45886	0.5
852.49115	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	851.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	0.4
61.02925	1.1
68.05017	7.6
69.03080	0.3
69.03422	4.3
69.07059	0.3
70.06581	100.0
71.01344	1.3
71.06902	0.8
71.78549	0.2
71.78955	0.3
72.04498	1.3
72.08150	0.2
73.02903	5.0
81.03414	1.1
82.02895	0.3
82.37222	0.2
83.04965	0.4
84.04463	0.2
84.08138	0.8
85.02893	4.5
86.06054	44.3
86.09691	19.4
86.10236	0.3
86.24519	0.2
87.04462	0.5
87.06412	0.4
94.60227	0.2
96.04486	0.9
97.02874	4.2
97.06516	0.2
98.06038	12.0
99.04448	0.6
100.07597	0.7
100.11208	0.4
103.03935	0.4
103.58468	0.2
109.02847	0.3
110.06030	0.3
111.04433	0.3
112.07604	2.5
112.11197	0.2
114.05510	3.0
114.09154	0.2
114.10255	0.3
115.03908	3.5
115.04694	0.3
120.08116	0.2
122.05999	0.3
126.05492	6.2
127.03886	2.6
128.07057	2.1
128.10695	14.6
129.11034	0.2
132.10188	1.1
133.04933	2.8
137.05997	0.3
138.07526	0.2
138.33391	0.2
139.03899	0.7
142.04974	2.3
147.04437	0.5
148.07622	0.2
151.03929	0.2
152.10703	0.2
153.13843	0.3
155.15366	0.5
157.04904	1.2
163.03940	0.2
164.10710	1.7
166.12239	0.3
167.15431	0.7
169.09723	1.9
170.11823	0.3
175.05893	0.3
176.26006	0.2
181.13382	0.6
182.11711	1.3
183.11336	0.9
183.14900	15.6
184.15262	0.3
195.15018	0.4
199.14392	2.7
200.12788	1.4
202.10765	0.3
211.10806	1.7
211.14383	18.1
212.14781	0.5
218.10217	0.6
218.13817	0.8
223.10751	0.4
225.15935	6.0
225.18015	0.4
226.01273	0.2
227.13873	0.8
229.07036	0.5
229.11812	0.4
242.13913	0.3
245.14928	57.5
246.15286	1.1
253.15462	3.5
260.14978	0.8
261.15982	1.1
274.09064	0.2
279.17004	1.8
287.15967	1.5
292.24359	0.2
307.16541	0.6
324.19113	0.7
341.16974	0.5
342.20184	26.3
343.20389	0.8
377.19113	10.7
378.19394	0.5
384.21255	0.4
385.19833	0.2
438.22324	0.4
444.88019	0.2
455.28604	40.2
456.28955	1.6
474.24463	5.1
475.24405	0.3
479.28714	0.3
497.29651	17.1
498.29898	0.8
509.23550	1.4
523.16687	0.5
533.29541	1.3
551.30737	3.0
569.31702	1.1
587.32782	28.4
588.33374	1.7
606.28357	0.5
611.32556	0.4
629.33862	10.4
630.33984	0.5
641.27509	1.2
665.33765	0.4
683.35028	0.3
701.35974	1.2
719.37012	7.5
720.36639	0.3
738.32886	0.4
761.38068	2.5
795.35529	0.2
851.39557	1.6
852.32739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.5
65.03893	0.8
66.04682	0.2
67.05494	18.2
67.05827	0.6
67.06001	0.6
69.03419	8.2
69.03765	0.4
69.07056	23.3
69.07404	0.9
69.07580	0.7
70.07356	0.4
70.39268	1.0
71.01322	0.3
71.04981	1.3
72.38470	0.2
73.02859	0.3
73.06505	0.2
77.03865	0.3
79.05480	17.4
80.05776	0.2
81.03403	4.8
81.07040	16.0
83.04968	3.2
83.08602	7.3
85.02839	1.0
85.06489	0.8
89.65502	0.2
91.05462	12.1
92.05740	0.2
93.07027	12.8
94.04128	0.7
95.01257	0.6
95.04953	6.6
95.08589	8.1
97.02876	8.1
97.06515	3.0
97.10151	10.4
103.05397	0.8
105.03314	0.5
105.04456	0.3
105.07011	11.0
107.04238	0.3
107.04929	5.5
107.08572	9.8
108.05716	0.4
109.02795	0.7
109.06505	2.5
109.10136	5.9
111.04380	0.4
111.08060	2.0
113.05914	0.2
115.05434	1.1
116.06169	0.5
117.06995	6.0
118.07314	0.2
119.04919	1.5
119.08562	9.8
120.05666	0.6
121.06486	2.7
121.10118	3.9
123.04356	0.7
123.08054	3.2
123.11633	0.8
125.09608	9.2
127.03841	0.3
127.07510	0.3
128.06145	0.7
129.05460	0.3
129.06984	3.1
129.26079	0.2
130.07748	0.5
131.04785	0.3
131.08546	7.2
132.05649	0.4
132.13573	0.2
133.06461	2.7
133.10109	4.1
134.07240	1.2
135.07169	0.3
135.08032	2.9
135.11668	1.9
137.09605	1.8
139.11107	0.3
140.25182	0.2
141.06960	0.5
142.07703	0.6
142.96323	0.2
143.08559	2.9
143.10666	0.2
144.09273	0.2
145.06404	1.1
145.10104	5.2
146.10860	0.2
147.08025	5.3
147.10593	0.2
147.11665	2.9
148.08685	0.2
149.09576	1.9
149.13239	1.7
149.97569	0.2
151.07393	0.3
151.11125	0.5
153.09102	1.2
155.08517	0.5
157.10104	2.2
159.07993	0.8
159.11658	2.5
161.09608	2.5
161.13179	0.5
162.10312	0.9
163.11124	1.6
165.09093	1.6
165.12682	0.2
167.08530	0.4
167.10464	0.3
169.10083	0.6
169.12181	0.7
171.10120	0.6
171.11620	1.2
173.09566	0.4
173.11717	0.3
173.13138	0.3
175.11177	3.1
177.09090	0.3
177.12715	1.3
179.10608	0.4
181.12282	0.3
183.11641	0.5
185.09573	0.3
185.13213	0.6
187.11133	0.6
187.14671	0.3
189.11223	3.7
189.12775	0.6
193.12210	0.9
195.11673	0.3
195.13728	1.0
199.11227	0.4
199.14810	0.3
205.12219	2.3
209.13249	0.2
211.13272	0.6
213.12773	0.4
213.14618	0.3
213.16386	0.3
219.13730	0.2
221.11746	0.3
223.13249	15.9
224.13544	0.4
227.12721	5.2
227.17854	0.5
233.15230	0.4
235.13029	0.2
237.16541	0.4
241.28006	0.2
245.18921	1.3
249.14850	3.6
255.17473	1.0
261.15005	0.3
261.18167	0.4
262.15536	0.5
263.19952	0.9
266.88406	0.2
267.15781	1.1
273.18448	14.5
274.18649	0.5
275.20108	0.3
283.15399	0.6
289.17868	0.4
291.19485	100.0
292.19809	3.7
309.20584	0.6
329.21146	0.4
338.56003	0.2
347.22076	3.5
349.23880	0.3
365.23166	50.6
366.23529	2.2
393.88809	0.3
447.26895	0.2
517.31775	0.3
535.32666	0.9
543.33618	0.2
557.34631	2.0
559.36475	0.3
565.88147	0.2
573.34003	0.8
575.35443	1.7
587.35669	0.8
623.42944	0.2
627.42627	0.4
637.40845	2.8
655.41937	48.2
656.42236	4.2
673.43146	0.4
701.72583	0.2
752.61993	0.2
754.84967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.1
61.02917	11.4
65.03940	2.2
65.65657	0.4
67.05494	91.5
68.05830	0.5
69.03423	2.9
69.07056	6.3
70.96322	0.7
70.96672	0.6
71.04986	2.9
73.02908	3.9
79.05480	16.6
81.03404	1.4
81.07043	33.4
82.07385	0.4
83.04978	1.3
83.08604	7.9
85.02893	13.3
85.06554	2.8
87.04420	0.5
91.03944	8.6
91.05464	12.3
93.07029	24.7
95.04954	2.8
95.08591	26.5
96.08957	0.5
97.02876	7.1
97.06529	1.2
97.10137	2.1
98.20738	0.4
99.04452	1.0
99.08076	1.1
105.07024	6.6
107.08579	15.2
107.09307	0.7
109.02878	1.0
109.06470	1.3
109.10143	80.1
110.10475	0.8
111.08090	3.4
115.03943	0.9
117.06995	3.6
119.07720	0.7
119.08564	11.8
121.10130	10.7
123.11691	3.5
125.09599	1.5
127.03912	3.6
131.08554	5.3
133.10114	4.5
135.11674	8.1
137.09622	3.2
137.13223	1.0
143.08533	0.4
145.04941	3.4
145.10112	5.0
147.11658	3.4
149.13229	4.9
151.14842	0.5
155.10651	5.5
157.10149	0.5
159.11656	3.4
161.13228	3.4
163.06003	5.2
163.14810	3.1
171.11571	0.5
173.11742	22.9
173.13229	3.7
175.14850	1.3
177.12766	0.6
177.16341	0.7
179.14397	0.4
184.07356	0.5
185.13261	0.7
187.14780	1.5
189.11215	1.3
201.16342	0.7
213.14783	0.9
227.10663	0.6
227.12793	8.0
229.14319	100.0
230.14664	1.9
233.22614	0.7
243.21040	4.9
261.22116	18.1
262.22534	0.7
317.24716	2.5
335.25760	59.8
336.26129	2.0
376.35666	0.4
379.29739	1.2
397.30856	1.7
415.31833	1.9
433.32935	0.7
462.62976	0.5
471.34644	2.3
489.35712	48.8
490.36102	2.7
507.36780	8.2
848.51141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.2
60.16268	0.4
61.02920	12.6
62.57507	0.4
65.03932	2.0
67.05495	100.0
68.05815	1.0
69.03414	2.3
69.07059	7.6
71.04983	4.5
71.08625	0.7
73.02897	3.6
77.36450	0.4
79.05482	20.0
81.03416	1.4
81.07044	40.2
83.04966	1.3
83.08601	9.9
85.02888	14.1
85.06512	3.8
87.04492	0.6
91.03948	10.2
91.05466	14.7
91.06031	1.0
92.98632	0.5
93.07033	26.7
95.04961	2.1
95.08593	30.3
97.02879	8.5
97.06529	1.9
97.10155	2.5
98.21429	1.3
99.04426	1.2
99.08106	0.9
101.02311	0.5
104.45590	0.4
105.07017	8.4
107.08577	16.3
109.02842	0.9
109.06516	0.8
109.10140	84.6
110.10480	1.0
111.08076	4.5
115.03934	0.6
117.07007	3.6
119.08564	11.8
121.10126	13.4
123.08080	0.7
123.11694	4.2
125.09634	1.7
127.03904	3.9
127.11147	0.6
129.07018	0.8
131.08557	6.2
133.10117	6.9
135.11676	9.3
137.09578	3.6
137.13252	1.7
143.08565	0.8
145.04945	3.9
145.10120	6.2
147.11667	4.2
149.13229	5.0
151.14812	0.9
155.10646	4.9
159.11697	4.7
161.13217	3.3
163.06003	3.8
163.11192	0.7
163.14845	3.9
171.11717	0.7
173.11742	20.4
173.13245	5.1
175.14803	1.4
177.12724	0.6
177.16360	0.6
187.14775	2.2
189.11143	1.0
195.38084	0.5
201.16353	0.8
223.17053	0.5
227.12685	5.5
227.14359	0.4
229.14319	95.0
230.14662	1.6
233.22623	0.7
243.21074	5.8
259.20682	1.0
261.22104	21.8
263.23749	0.7
266.30399	0.5
275.12158	0.5
282.14233	0.5
297.87231	0.4
317.24625	2.9
335.25757	75.7
336.25989	1.3
339.15671	0.5
363.71347	0.5
373.18451	0.6
379.30042	1.1
397.30957	1.9
415.31976	0.9
433.33218	0.5
460.85422	0.5
471.34802	2.5
489.35709	83.7
490.36090	2.9
507.36734	8.1
560.11450	0.6
633.39423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.3
65.03953	0.3
67.05493	5.5
69.03414	2.7
69.07059	2.2
70.14697	1.6
71.01359	0.6
71.04984	0.8
73.02916	3.4
78.79266	0.3
79.05481	5.4
79.12533	0.3
81.03398	2.6
81.07049	6.6
82.07424	0.3
83.04974	0.8
83.08612	1.0
85.02907	4.6
85.06527	0.4
86.09715	0.5
87.04459	0.4
91.03941	2.3
91.05476	4.4
93.07033	6.1
95.04974	1.3
95.08592	3.1
97.02881	4.2
97.06516	0.7
97.10168	0.4
99.04472	0.6
101.02378	2.0
101.15513	0.3
105.07020	4.3
107.04932	0.3
107.08592	2.9
109.02895	0.8
109.06522	0.7
109.10122	1.7
111.04473	0.3
111.08054	0.4
115.03951	0.3
117.07037	1.3
119.08585	3.2
121.10130	2.5
123.08029	0.4
123.11770	0.5
125.00018	0.4
125.09627	0.4
127.03881	1.5
129.05518	0.6
129.07005	0.8
131.08540	1.9
133.10107	2.2
135.08061	0.4
135.11678	1.6
136.06192	0.7
139.03856	0.3
143.00233	0.3
145.10081	1.6
147.11685	1.0
149.09703	0.4
149.13281	0.7
151.11188	0.4
157.10069	0.4
159.11699	0.7
161.13313	0.8
163.11171	0.6
171.11673	0.6
175.11200	0.3
184.07324	1.8
185.04218	0.9
185.13284	0.3
203.05292	0.6
241.06882	0.5
243.08388	3.4
259.20630	0.6
269.17645	0.4
275.20532	0.4
301.08990	1.7
313.08920	0.4
315.10599	0.5
317.20517	0.4
333.20328	2.0
333.23932	0.4
335.25836	0.5
349.19492	0.4
371.16934	0.6
373.10925	0.4
389.23257	0.8
397.18192	0.5
439.18945	1.6
453.20996	1.7
465.21091	0.6
469.20526	0.6
481.20697	0.4
534.28235	0.5
535.28748	5.5
536.29321	0.5
541.22461	0.4
551.28204	8.3
551.36780	0.4
552.28900	0.4
623.30090	1.7
683.44910	0.4
747.42590	0.6
775.43427	0.5
845.50024	100.0
846.50250	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	845.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.7
64.83295	0.2
65.03929	0.5
67.05499	5.1
69.03423	4.1
69.07066	2.6
70.85390	0.9
71.01353	0.4
71.04984	0.6
73.02906	3.8
79.05484	5.8
81.03412	2.0
81.07045	5.5
83.04975	1.2
83.08617	1.0
85.02893	5.1
85.06509	0.3
87.04471	0.3
90.56164	0.2
91.03936	2.7
91.05473	5.0
91.06017	0.3
93.07034	6.0
95.04959	1.3
95.08593	3.1
97.02890	3.7
97.06511	0.7
99.04446	0.7
100.18752	0.3
101.02373	1.9
103.03967	0.3
105.04512	0.3
105.07023	3.8
107.04987	0.5
107.08566	3.1
109.02875	0.7
109.06523	0.4
109.10146	1.2
111.08125	0.4
116.07051	0.2
117.06977	1.3
119.08569	2.9
121.06524	0.3
121.10150	1.2
123.08070	0.5
125.09570	0.4
127.03881	1.3
129.05492	0.4
129.07002	0.6
131.08568	1.8
133.10106	2.6
135.08084	0.2
135.11688	2.0
143.08633	0.5
145.04962	0.4
145.10158	1.1
147.11668	1.5
149.09683	0.5
149.13303	0.7
157.10118	0.4
159.11719	1.0
161.13266	0.3
171.11729	0.5
173.13371	0.3
175.14807	0.4
184.07384	0.4
185.04260	0.9
185.13412	0.3
201.03731	0.4
203.05345	0.4
241.06882	0.3
243.08359	3.6
251.07658	0.3
259.08014	0.5
259.20584	0.5
301.08920	2.0
313.08847	0.6
313.27246	0.4
315.10733	1.0
317.21045	0.4
330.46429	0.3
333.20303	3.7
333.24017	0.4
335.25821	0.3
357.23981	0.3
371.16959	0.5
373.11139	0.7
373.23676	0.5
385.18674	0.5
389.22986	0.8
397.18423	0.5
423.19788	0.4
429.17438	0.6
437.21600	0.4
439.19296	0.8
449.25415	0.4
453.20938	1.2
465.21225	0.8
469.20523	0.6
477.24997	0.3
535.28705	7.2
536.29346	0.4
541.22504	0.4
551.28192	8.5
552.28625	0.4
623.30182	1.5
637.32159	0.5
649.38806	0.3
651.34015	0.5
683.45496	0.6
693.38690	0.3
707.40051	0.3
746.95825	0.3
747.42542	0.3
845.50092	100.0
846.50397	9.5
846.67023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	5.3
67.05498	6.6
69.03416	3.5
69.07059	2.3
71.04980	0.9
71.80063	0.5
73.02907	3.2
74.73683	0.4
77.31159	0.4
79.05480	5.7
81.03422	2.2
81.07040	6.3
82.07380	0.4
83.04986	0.8
83.08619	1.3
85.02892	5.4
85.06527	0.4
87.04484	0.6
91.03963	2.1
91.05463	5.6
93.07034	6.8
94.52127	0.3
95.04957	1.4
95.08595	4.6
97.02879	4.3
97.06565	0.5
97.10146	0.5
99.04455	0.8
99.08054	0.4
101.02383	2.0
105.07030	4.9
105.59686	0.4
107.04928	0.8
107.08575	3.5
109.02843	0.8
109.06520	0.7
109.10158	1.6
111.08016	0.6
117.07016	1.2
119.08558	3.5
121.10122	2.0
123.11668	0.6
127.03902	1.6
129.05457	0.7
129.06975	0.9
131.08565	1.7
133.10114	2.9
135.08012	0.6
135.11726	1.2
140.59285	0.4
145.10132	1.3
147.08029	0.5
147.11697	1.6
149.09601	0.4
149.13304	0.5
151.11140	0.6
159.11717	1.0
161.13194	0.6
171.11646	0.5
173.13229	0.7
175.11154	0.6
184.07326	0.8
185.04225	1.4
185.13292	0.6
193.12277	1.0
196.84541	0.4
203.05338	0.7
211.33235	0.4
243.08397	4.4
301.09000	1.5
313.09039	0.5
313.17789	1.4
315.10541	1.1
331.18683	3.4
336.26236	0.5
341.12289	0.5
347.18576	0.5
347.91016	0.4
355.13889	0.5
357.14856	0.4
369.15271	0.7
371.16821	0.4
373.10718	0.4
385.18497	0.5
387.21289	0.6
396.01834	0.4
451.19635	1.2
465.21060	1.5
509.59906	0.5
531.25433	2.7
535.28729	7.8
549.27081	3.3
607.30627	0.6
628.45825	0.7
745.41125	1.4
774.41498	0.7
825.47504	6.6
843.48480	100.0
844.48676	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	843.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	1.6
69.07059	1.7
69.11571	1.2
69.73430	8.3
69.73769	1.6
73.47626	0.8
79.05444	1.0
81.03409	2.4
85.02880	1.8
92.22674	0.8
94.06573	2.0
97.02875	1.7
108.08102	14.1
109.02891	1.6
112.07581	1.0
114.09129	1.2
120.08136	1.3
122.06011	6.3
124.07522	1.0
135.39624	0.9
136.07506	1.9
137.28961	0.8
140.07039	8.8
146.05966	3.0
148.07520	5.2
150.09125	2.9
152.06996	1.1
160.07567	1.7
162.05458	1.1
162.09079	1.3
164.07005	2.3
166.08577	2.4
168.25450	1.0
172.02617	0.9
172.03925	3.9
174.05467	4.4
175.06070	1.2
176.07019	1.9
190.04881	1.1
204.06549	7.0
206.08003	1.8
208.09689	2.0
210.11517	1.6
211.12239	5.9
212.12941	1.2
222.11470	1.4
223.12297	2.4
224.13013	2.8
225.10213	1.4
225.13745	1.6
227.11723	2.1
235.08586	2.5
235.12271	2.1
236.09387	3.0
236.12932	1.1
237.10216	8.5
237.13826	4.0
238.10878	3.6
238.14580	1.4
239.11760	9.2
240.12500	2.4
248.09482	3.4
249.10172	8.5
250.10921	6.5
251.11760	36.2
252.12500	13.0
253.09410	1.1
253.13327	20.7
254.14050	1.6
255.11188	1.0
261.12317	1.1
262.10965	1.5
263.11743	26.4
264.08948	2.0
264.12430	5.6
265.09747	7.4
265.13306	29.8
266.10461	2.9
266.14066	6.5
267.11237	3.3
267.14850	2.7
268.15735	1.4
269.12732	2.2
275.11655	1.4
277.09689	7.4
277.12943	1.8
278.10416	7.0
279.11252	50.3
280.11896	8.0
281.12881	9.2
282.13412	1.1
283.10715	1.6
283.14319	2.7
285.12238	1.9
287.13818	2.9
289.13028	1.1
291.11221	11.0
292.11877	4.7
293.12762	13.8
294.10501	0.9
294.13538	4.8
295.10736	6.7
295.14313	3.7
297.12366	7.9
298.13113	1.3
299.13812	2.3
309.12274	9.6
310.12854	7.5
311.13806	22.1
312.14551	5.3
313.11737	3.1
313.15445	4.3
319.10623	7.8
321.12305	7.4
323.13818	1.5
337.11865	4.4
338.12167	1.6
339.13187	5.1
341.14960	1.6
342.15472	4.9
345.14346	2.3
351.13400	2.8
352.14157	1.4
353.14865	2.5
355.12711	1.3
358.15475	1.5
369.14438	2.6
371.16147	1.2
381.14343	1.8
395.15948	3.2
398.14832	1.9
399.15726	1.8
400.16299	2.0
407.15961	1.2
413.17084	1.5
419.15866	1.6
425.17444	1.2
435.15524	3.0
436.15991	1.3
437.17093	5.1
441.16397	1.9
445.13815	1.6
452.21729	2.5
453.16660	6.0
454.17212	3.1
455.17963	4.7
463.14804	4.7
464.15851	1.3
465.16531	1.4
467.19113	1.3
469.19623	1.5
471.17096	1.7
481.16028	19.9
482.16678	7.9
483.17435	3.2
485.19101	5.7
486.19699	6.7
487.20413	2.6
495.17297	2.9
499.22784	1.9
513.18658	48.6
514.19177	10.5
515.20154	4.3
545.21198	13.2
546.22156	1.5
547.22601	3.0
578.24426	3.7
596.25873	3.8
602.21265	1.2
604.22650	2.9
617.25745	2.2
622.23920	14.3
623.23950	1.2
628.28583	11.8
636.25470	4.5
654.26508	100.0
655.26843	7.2
670.25696	1.9
686.29108	71.2
687.29224	7.4
702.24622	1.3
743.28827	5.9
744.29211	1.3
761.29388	3.8
775.31738	5.7
779.31189	6.9
793.32324	2.1
807.33551	1.1
811.34125	6.8
843.36255	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	842.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	1.7
61.02913	5.0
65.03932	2.8
67.05495	100.0
67.80846	1.0
69.03423	5.8
69.07059	24.8
70.06606	1.1
70.22807	1.1
71.04978	4.8
71.08614	3.8
71.72880	1.0
73.02898	2.7
79.05485	50.1
81.03407	3.0
81.07047	78.6
83.04974	5.4
83.08607	20.0
85.02904	5.0
85.06535	3.0
85.07630	1.2
85.10194	1.4
86.09697	3.2
91.03925	3.1
91.05466	37.2
91.06033	1.8
93.07033	55.0
95.04951	8.6
95.08591	46.2
95.72475	0.9
97.02874	3.9
97.06527	8.0
97.10155	21.7
99.08074	2.9
105.07017	29.0
107.04939	2.7
107.08578	39.8
109.06516	5.7
109.10143	49.5
111.08085	5.0
116.07021	1.3
117.07003	9.7
119.08566	24.0
121.06517	1.9
121.09276	1.2
121.10132	22.7
123.08073	2.2
123.11686	6.9
125.09623	18.9
127.03938	1.5
129.06993	2.9
131.08542	18.0
133.10106	17.9
135.08060	3.9
135.11681	16.2
135.12648	1.9
137.09581	2.4
137.13216	1.4
139.11174	1.1
141.07004	1.5
143.08559	4.4
145.04941	1.7
145.06396	1.3
145.10104	13.5
147.11661	11.3
149.09627	5.2
149.13205	10.6
151.11151	2.6
153.09099	1.5
155.08566	1.8
155.10742	1.4
157.10133	4.5
159.11678	11.4
161.09631	1.2
161.13223	6.0
163.11172	4.0
163.14812	1.7
165.12743	1.2
169.10190	2.5
171.10271	2.1
171.11720	4.5
173.11714	8.9
173.13271	6.0
175.11177	1.7
175.14847	1.9
177.12738	1.7
179.14267	1.5
183.11632	1.6
184.07381	3.7
185.13239	2.3
187.14824	4.3
189.11174	14.6
195.13821	2.1
197.13255	1.6
199.14743	1.9
213.16383	1.4
215.18060	1.3
227.10416	1.1
227.10786	0.6
227.12738	32.5
229.14325	39.0
229.19498	1.2
239.18004	2.0
243.21114	3.3
245.13824	29.2
257.18881	3.0
259.20569	2.9
261.22086	14.1
267.16202	1.2
269.17435	12.3
275.20038	17.4
293.21191	2.2
313.27338	23.9
317.24789	3.4
333.24207	2.8
335.25754	94.1
336.26071	2.0
349.23685	17.7
351.25122	1.8
367.24792	12.2
483.36798	21.0
489.28522	2.0
489.35730	40.8
505.34991	1.6
507.36758	3.9
515.37000	3.5
527.37146	3.6
529.38812	39.2
535.41479	2.3
609.45001	37.2
610.45825	2.0
627.46051	21.2
785.87506	1.3
843.48584	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	841.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	2.6
69.03409	3.6
69.07066	6.8
70.06591	1.1
71.79697	1.0
71.80067	1.3
78.76614	0.8
79.05476	1.5
81.03416	6.0
83.04971	1.5
84.08141	1.4
85.02892	2.9
91.05488	1.2
93.07085	1.3
94.06560	9.3
95.04958	2.5
97.02896	1.7
106.06559	1.7
107.04937	1.4
108.04443	1.3
108.08093	6.5
109.02866	3.2
110.06038	2.1
110.09688	1.2
112.07628	2.4
114.09157	9.0
115.03892	0.9
116.04961	1.3
117.03378	1.4
118.06515	1.6
120.04465	1.2
120.08100	3.8
121.06470	1.1
122.06014	32.1
123.04446	1.5
124.07553	1.9
127.03895	3.4
134.06009	3.9
135.10397	0.9
136.07570	3.0
137.05965	2.6
138.05418	1.5
138.09145	2.6
140.07053	33.5
140.08156	1.8
144.04445	3.4
144.08073	1.2
145.02846	1.9
146.05994	17.3
146.07147	1.5
147.04396	2.9
147.06778	1.0
148.07556	9.6
150.09077	2.1
151.03801	1.0
152.07045	3.4
160.03992	1.1
160.07550	3.4
161.06010	1.0
162.05515	3.7
163.06268	1.3
164.07074	1.9
166.08598	6.1
172.03923	21.7
173.04710	2.1
174.05473	23.2
174.09138	1.5
175.36034	1.0
176.07053	15.7
177.05478	2.4
178.08618	1.6
187.12199	1.6
188.07013	2.5
190.04977	8.0
191.05727	2.3
192.06508	2.7
196.10114	1.2
197.10765	3.1
198.09186	1.8
198.11519	1.4
199.08658	2.7
199.12263	1.4
200.09332	1.9
201.10187	1.3
201.35507	0.9
204.06535	38.0
206.08089	9.2
208.09718	1.7
211.08672	3.2
211.12244	2.4
212.09349	1.9
213.10272	5.2
214.10927	1.8
215.11792	5.4
216.10141	2.4
216.43648	1.0
223.08594	1.5
224.09351	1.2
225.10213	8.4
226.08658	1.7
226.10916	2.8
227.11716	2.6
228.10280	1.2
234.11462	1.1
235.08640	1.0
236.09387	1.2
237.10204	6.0
238.10942	2.5
239.08160	1.3
239.11772	6.8
241.09666	3.6
243.11272	39.3
244.09457	1.0
249.10249	6.8
250.11046	2.0
251.08151	1.2
251.11830	6.7
252.08896	1.8
252.12509	1.1
253.09735	3.5
253.13362	2.5
255.11252	3.7
256.12057	1.4
257.09027	1.0
257.12897	4.5
261.12469	2.1
262.10916	1.6
263.08133	3.6
263.11752	8.5
264.08905	2.5
264.12473	1.7
265.09698	13.6
265.13217	2.7
266.10437	3.9
266.13776	1.2
267.11328	7.9
269.09174	4.8
269.12851	2.1
271.10837	3.0
273.12152	2.3
274.13055	1.3
277.09613	4.6
277.12915	1.0
278.10370	4.0
279.11246	12.0
280.12006	4.1
281.09277	1.8
281.12814	5.0
283.10620	5.2
284.11627	2.0
285.12280	19.9
286.12881	1.3
287.10278	6.1
287.13889	9.5
289.09586	1.1
291.11127	5.3
292.12045	2.3
293.09476	1.5
293.12811	4.3
295.10834	5.1
295.14020	1.1
297.12338	8.5
298.13062	3.1
299.10623	1.3
299.13861	4.4
300.12305	1.6
301.12033	3.6
302.12823	3.7
303.13449	9.2
304.14413	2.1
305.09088	2.0
305.12347	1.5
306.09793	1.6
307.10703	4.0
309.12283	4.7
311.10349	2.1
311.13934	2.9
313.11819	18.1
313.15491	0.8
314.12811	2.1
315.13504	5.1
316.11136	2.0
316.14502	3.7
317.15262	3.0
318.16083	3.9
319.10712	2.2
319.16779	1.6
321.12311	3.2
322.12918	2.2
323.10245	1.6
323.13666	1.5
325.11865	5.4
327.13547	3.4
328.10852	1.6
328.14465	2.2
329.11819	2.3
330.12381	3.5
330.15997	3.3
331.12997	8.7
331.16461	1.5
332.13885	2.6
332.17578	2.2
337.11838	10.9
338.12732	1.0
339.13446	3.7
340.10318	2.3
340.14386	2.6
341.11536	1.6
341.15424	1.6
342.12488	2.7
342.16006	2.6
343.13367	1.5
344.13913	7.3
345.14481	27.7
346.15460	10.2
347.16058	4.0
348.17068	2.9
349.11929	1.2
351.13480	2.0
353.15173	1.8
354.12265	2.2
354.16138	1.2
355.13037	1.9
356.09964	1.5
356.13791	4.1
357.10632	1.3
357.14703	3.4
358.11816	3.0
358.15665	8.0
359.12418	1.5
359.16187	3.1
360.13208	1.3
360.17038	10.6
366.12125	2.1
367.13040	2.3
368.13995	3.6
369.15079	4.8
370.11893	3.4
370.15421	3.2
371.12198	5.4
372.13287	13.7
372.17258	2.2
373.14172	6.4
374.14951	13.1
374.19492	1.4
375.15659	2.8
376.16306	1.8
381.14706	1.5
382.15366	2.8
384.13245	3.3
384.17148	3.0
385.14032	4.9
386.14874	23.7
386.19366	2.1
387.15695	18.2
388.11826	1.7
388.16489	18.8
390.18369	1.8
396.13425	2.8
397.13943	1.1
398.14920	3.6
399.15869	2.6
400.12125	1.4
400.16528	3.5
401.13538	4.2
402.13800	5.4
402.18848	1.9
404.16022	2.9
406.17419	2.4
408.18900	1.3
409.13934	2.5
410.14896	2.3
411.15524	13.2
412.16391	2.8
413.13412	1.1
414.14380	22.8
415.15170	28.9
416.15982	45.6
417.16458	3.3
418.17654	2.3
427.15021	1.9
428.15936	7.1
429.16562	24.7
430.17523	5.7
433.15936	1.7
434.16919	3.7
438.14713	1.4
439.15060	2.1
440.15906	1.3
446.17050	5.1
447.17624	16.2
448.18604	4.8
456.15594	7.1
457.16324	2.4
458.17065	2.9
460.18604	1.4
464.21875	2.0
474.16348	5.7
476.18039	4.2
479.20288	14.1
490.19708	4.8
492.17419	1.7
493.12381	1.2
502.20032	1.3
506.19125	1.6
514.19958	2.0
516.17340	2.1
518.19135	1.4
522.22351	3.4
526.20837	1.2
530.19073	1.2
531.19348	1.4
532.20776	2.2
542.18610	1.3
548.20032	1.6
549.21301	1.3
550.21783	1.6
555.21960	1.7
556.20624	2.6
560.19897	1.7
572.19977	2.3
573.22156	1.1
574.21722	3.3
576.20306	1.7
577.20184	1.6
582.18488	3.3
584.19470	1.1
590.21448	3.1
597.23199	2.7
600.19611	6.2
601.20117	2.5
602.21631	2.6
610.23541	1.5
615.24359	7.7
617.25482	1.9
618.20721	11.6
619.21460	6.4
620.22272	3.1
622.24133	1.5
626.26190	1.9
629.25940	1.6
632.22369	1.2
633.25470	6.4
634.23474	1.5
647.26575	5.1
650.12225	1.6
650.23218	26.8
651.24390	11.7
652.23340	9.9
657.25739	2.1
666.22601	2.5
668.22601	2.7
679.28516	2.2
681.25836	1.6
682.25275	3.4
683.26923	2.0
684.27631	4.9
697.28076	3.0
705.25342	4.7
715.28979	2.3
717.27148	1.6
723.26501	28.8
724.26282	2.0
737.27985	2.2
741.27612	22.2
755.28967	5.7
759.28632	60.3
760.28448	3.3
773.30280	7.0
777.28784	2.8
791.31256	100.0
792.31104	4.4
809.31458	3.6
823.33893	9.1
841.33704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35178	1.4
66.02292	1.2
67.05502	1.7
69.07060	11.5
70.06570	1.4
70.49315	5.7
72.08125	4.7
79.05452	2.4
80.04994	1.5
81.03394	2.0
85.02884	2.1
94.06564	13.9
95.04948	3.9
97.06527	4.6
98.06017	1.7
98.21503	1.5
106.06537	2.5
108.08089	5.3
112.07571	3.0
114.09171	2.6
114.10265	4.3
120.04421	3.3
120.08077	3.2
122.06009	56.1
123.04390	2.4
124.07581	3.0
130.08653	3.2
131.12952	2.0
132.04442	1.8
134.06007	15.2
135.04433	2.0
136.07573	5.4
137.05910	2.1
138.05420	3.3
140.07043	100.0
144.04436	5.4
146.05988	31.5
147.04404	2.7
148.07549	34.4
150.05479	3.4
150.09108	2.8
152.07118	2.1
161.05939	3.4
162.05502	8.9
163.03876	5.9
164.07062	5.8
166.08629	3.9
172.03925	35.3
172.07570	1.6
173.04704	3.6
174.05476	39.2
175.06226	3.1
176.07045	64.8
177.05446	3.0
177.07306	1.7
178.04977	5.2
188.07094	1.8
189.08989	2.2
190.04976	22.3
191.05780	7.4
192.06560	16.1
193.07318	6.7
194.08102	13.0
202.04955	2.4
204.04591	2.9
204.06535	59.7
204.74048	1.5
206.08087	17.4
208.09689	10.0
210.07541	4.1
211.12297	1.8
215.07030	2.1
216.10204	4.3
218.08125	3.1
223.12209	1.8
225.10231	2.3
227.11681	1.7
234.11452	2.3
235.12271	2.7
236.09268	2.7
237.10158	7.3
238.11021	4.9
239.11775	3.2
243.11240	12.9
244.09698	1.7
246.07658	3.2
249.10149	6.9
250.11015	3.8
251.11766	7.3
252.08739	1.7
253.13272	1.8
259.09720	2.7
261.09915	3.5
261.12338	6.0
262.10959	5.6
263.07977	2.5
263.11774	13.4
264.08801	3.4
264.12540	5.2
265.09680	15.4
265.13052	3.5
266.10477	10.9
266.14243	1.6
267.11185	5.3
269.12985	1.8
271.14594	1.7
272.05502	6.3
275.11679	3.9
276.08939	1.8
277.09668	22.7
278.07422	2.0
278.10312	12.0
279.11182	38.6
280.08261	7.8
280.11877	6.2
281.12781	3.4
283.10669	2.6
284.11429	1.8
285.12299	14.9
287.13904	49.3
288.08731	1.4
289.09744	3.4
290.10468	1.6
291.08044	2.2
291.11209	9.9
292.08530	2.6
292.11975	4.2
293.09225	3.2
293.12799	8.0
294.10104	3.0
294.13550	2.8
295.10828	5.7
295.14319	2.1
296.11496	8.6
297.12302	24.5
298.13132	3.0
299.13812	1.8
303.10678	4.1
303.13913	14.0
305.09201	14.7
305.12439	2.2
306.09906	20.4
307.10736	31.5
307.13876	1.1
308.11160	3.1
309.12222	10.8
310.13049	2.8
311.13876	4.8
313.11819	42.8
313.15118	1.9
315.13425	4.2
316.11188	1.4
319.10776	11.5
320.11484	3.3
321.12283	38.1
322.09161	10.6
322.13046	23.7
323.10107	7.1
323.13879	4.5
324.07056	3.7
324.10983	15.8
325.11768	6.0
331.13129	14.4
333.08694	1.9
333.12396	2.3
335.10336	3.6
336.07059	1.9
336.11008	2.4
337.11746	14.6
338.08578	12.0
338.12555	6.5
339.13379	18.6
340.10193	18.2
340.14117	3.9
345.14493	31.9
346.15240	3.0
347.10291	5.4
347.15942	5.4
349.11746	6.4
351.09689	2.7
352.10416	6.3
353.14880	3.5
355.13107	3.2
356.13580	1.9
359.10156	2.4
363.15689	2.3
365.11279	13.0
366.12012	17.0
367.12781	5.9
371.16223	2.2
372.13364	3.5
373.14334	3.3
374.15027	3.7
375.09708	3.6
377.11111	3.5
379.12952	2.6
384.12982	2.0
386.14758	2.2
387.15778	3.5
388.16464	4.0
389.21802	31.4
391.08997	3.0
393.10654	2.2
396.13034	2.9
397.13892	3.0
398.14734	3.9
399.15732	2.5
400.16556	2.5
402.14124	2.9
405.15198	1.7
406.17621	2.2
407.12369	2.9
408.73965	1.8
414.14496	4.4
415.15125	2.8
416.15948	21.5
417.16245	1.8
423.11615	1.7
424.12488	2.1
425.13461	2.5
433.10229	3.1
433.15964	2.3
434.16821	3.4
436.12872	3.3
437.13248	3.6
446.17227	3.5
448.18521	2.3
449.12988	1.7
451.11096	15.7
452.12012	7.6
452.21738	2.7
453.12924	12.5
456.15604	3.3
458.16956	6.3
461.15265	2.5
464.18143	2.1
467.14355	10.1
469.12323	5.1
474.16571	5.1
475.17136	2.1
476.18155	11.2
478.19778	3.6
479.15332	2.6
485.15115	2.2
492.17798	7.6
493.11969	6.3
494.19040	3.6
495.14240	6.7
496.14725	7.6
497.16824	2.1
506.19189	3.6
511.13354	21.2
512.14130	4.9
513.14978	27.5
527.16113	2.1
528.16937	3.4
531.16071	2.5
538.21539	4.5
543.15820	7.2
544.15863	1.8
545.17365	3.9
566.21448	2.8
573.24103	1.9
575.14722	2.0
589.26276	10.9
599.24817	5.0
608.22461	2.3
615.24536	34.9
616.24725	2.5
617.25836	13.1
624.21320	3.9
626.23145	9.8
633.25519	58.9
634.20416	2.5
635.26917	8.6
647.27039	11.9
649.28705	5.7
650.19843	2.3
652.21259	89.2
653.21832	8.7
668.20844	14.2
670.21887	4.3
684.23828	39.3
685.24207	2.4
759.28033	2.1
773.26837	2.6
791.28223	9.9
809.28766	15.9
841.30957	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	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	6.2
65.03922	6.4
67.05494	92.2
69.03418	8.8
69.07053	42.9
70.97517	4.7
71.01370	1.8
71.04997	6.7
73.02881	2.2
77.03897	1.3
79.05479	87.3
81.03418	13.0
81.07040	100.0
83.04963	13.0
83.08605	23.0
85.02887	8.2
85.06520	6.0
91.05463	87.9
91.62817	1.6
93.07029	95.5
94.07348	1.8
94.20499	1.2
95.04944	21.8
95.08586	61.5
97.02879	6.9
97.06506	14.2
97.10146	11.5
99.04458	2.4
99.08069	4.0
103.04000	1.3
103.05434	3.1
105.07012	90.6
107.04931	9.9
107.08578	56.9
107.09317	2.5
109.02870	2.0
109.06490	8.8
109.10136	30.0
111.08069	6.6
111.11671	1.6
113.09637	1.9
115.05437	3.8
116.06155	1.8
117.06996	34.7
119.08562	71.2
121.06503	4.2
121.10126	34.7
123.08032	4.7
123.11675	8.5
125.09597	7.5
127.03860	2.8
128.06216	4.7
129.05490	3.2
129.06975	23.9
130.07767	1.9
131.08551	47.7
133.06470	2.2
133.10107	52.1
135.08046	5.6
135.10724	2.5
135.11668	27.5
137.09613	4.5
141.06921	6.9
142.07744	5.1
143.08536	26.4
144.09370	2.0
145.04904	1.7
145.06444	2.0
145.10100	43.7
147.08028	4.1
147.11662	36.7
149.09566	11.6
149.13223	17.1
151.11160	5.5
153.06978	1.6
153.09097	1.9
153.12793	2.0
155.08551	12.3
157.10118	21.6
159.11674	33.5
161.09639	2.9
161.13226	20.9
163.11102	6.8
163.14795	4.2
165.12703	3.2
167.08516	4.2
169.10104	14.1
171.08101	1.9
171.11658	24.7
173.04478	3.6
173.09584	2.0
173.11794	2.4
173.13219	16.8
175.11157	3.8
175.14827	8.4
177.12691	4.8
179.08537	2.2
179.14284	3.4
181.10081	7.2
182.10840	2.1
183.11658	11.1
185.11713	2.1
185.13208	12.6
187.11090	2.1
187.14812	5.9
189.11142	3.5
189.12729	2.1
191.14349	2.3
193.10049	3.3
195.11673	8.8
195.13538	2.6
197.13280	14.5
199.11269	1.6
199.14807	11.4
201.16345	5.9
203.17937	1.6
207.11687	3.3
209.13246	9.0
211.14758	7.1
213.12793	2.3
213.16370	5.6
215.17831	2.7
217.15794	1.6
219.11555	1.3
221.13223	4.0
223.14806	4.9
225.16457	2.9
227.12686	5.5
227.16141	2.0
227.18094	2.6
229.14223	1.8
229.19446	3.3
231.17380	2.5
231.20987	3.3
235.14839	2.5
237.16353	1.9
239.17961	4.6
241.10533	1.6
241.19528	20.4
247.20535	2.3
251.17917	2.5
255.15817	9.9
257.18997	8.2
259.20529	45.9
261.22131	3.4
263.17792	1.8
265.19504	1.8
269.17340	15.5
271.20618	1.6
275.20041	22.0
276.20438	1.6
277.21484	3.3
285.22058	2.4
289.21777	1.4
293.21350	1.3
297.22223	2.2
309.21951	1.9
313.21463	2.9
315.19858	1.7
315.23154	10.2
323.23630	2.3
331.22580	2.5
333.24225	49.6
335.25577	4.1
347.22272	1.6
349.23798	16.4
351.25629	1.7
365.23938	1.5
365.28210	2.8
367.24826	4.2
403.29294	2.1
407.29047	1.8
417.31421	2.4
421.30914	4.3
435.32538	6.9
439.32269	2.2
445.30594	1.7
453.33453	6.0
471.34781	2.4
489.35815	2.0
495.34732	3.6
499.34598	1.7
501.35400	3.3
509.36160	5.4
513.35718	34.9
515.37830	7.3
525.35706	2.9
527.37292	58.0
528.37659	3.5
531.36407	3.4
533.39758	5.5
537.35413	2.0
543.36597	4.1
545.38239	8.3
551.40649	4.4
567.40527	1.4
589.42035	3.0
597.44489	2.0
607.43439	40.1
608.43658	4.3
625.33990	2.4
625.44415	40.9
626.44995	2.8
635.39526	1.8
671.41321	2.8
689.41736	3.9
769.47809	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	840.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	3.1
59.61691	1.7
61.00089	1.8
61.02901	3.3
61.73071	1.8
65.03931	4.8
67.05496	93.6
68.05846	2.1
69.03417	8.4
69.07059	36.8
70.06575	1.8
70.46519	1.6
71.04985	8.4
71.08628	1.8
74.09696	2.3
79.05014	4.3
79.05481	84.2
81.03415	8.0
81.07047	94.9
82.07371	1.8
83.04958	10.4
83.08607	25.2
85.02888	7.0
85.06528	7.0
86.09689	4.8
91.05470	92.7
93.07034	93.7
95.04947	15.1
95.08596	66.2
97.02892	7.3
97.06524	15.0
97.10157	13.2
99.04411	1.8
99.08080	4.9
103.05486	3.9
105.04504	2.0
105.07020	100.0
107.04942	7.5
107.08580	61.3
107.09321	3.3
109.06523	9.6
109.10135	32.9
111.08064	5.2
113.09610	2.7
115.05453	4.6
116.06216	3.1
117.07004	38.0
119.08566	67.1
121.06493	4.7
121.10139	37.3
123.08032	3.5
123.11699	9.7
125.05986	1.8
125.09627	8.0
128.06221	7.3
129.05499	2.4
129.06996	25.2
130.07780	4.7
131.08560	52.1
132.08891	2.4
133.06451	2.4
133.09151	3.7
133.10112	53.7
135.08055	6.5
135.11678	23.6
137.09579	4.1
139.11139	2.7
141.06963	10.9
142.07767	5.3
143.08548	30.2
144.09296	3.0
145.06464	2.0
145.10104	42.4
147.08002	3.7
147.11664	37.5
149.09593	12.2
149.13255	11.1
151.11179	5.9
153.07024	2.3
155.08548	17.4
156.09309	3.0
157.10104	27.1
159.08066	2.0
159.11678	41.0
159.12936	2.9
161.09625	4.0
161.13222	23.2
163.11139	9.6
163.14828	3.6
165.06949	2.9
165.12782	3.0
167.08551	6.7
168.09366	2.7
169.10094	20.2
171.11659	25.9
173.09660	3.3
173.13254	20.0
175.11171	2.7
175.14792	11.6
177.12741	2.6
179.08549	3.7
179.14319	2.2
180.09305	2.0
181.08768	1.7
181.10118	10.3
183.11644	21.9
184.07370	11.6
185.13217	24.3
187.11246	2.8
187.13257	2.1
187.14799	9.5
189.11200	2.9
189.12758	2.8
191.14445	2.2
193.10103	4.0
195.11691	12.9
197.13255	18.2
198.13776	2.3
198.77187	1.9
199.11273	2.0
199.13274	1.6
199.14795	9.9
201.12749	3.7
201.16299	3.6
203.14302	5.0
205.15950	2.3
207.11652	5.7
209.13245	11.8
211.14804	6.7
213.16422	3.7
215.17882	3.3
215.78986	1.8
217.15909	2.0
219.11673	2.8
221.13278	4.0
223.14755	8.2
225.16403	4.8
227.12724	5.6
227.18095	2.5
229.19525	3.8
229.83847	2.1
231.17435	3.5
231.21028	2.3
233.13132	2.6
237.16359	6.5
239.17964	7.4
241.19588	14.0
241.55772	1.6
249.16486	2.5
251.17964	3.4
253.19681	2.0
255.15956	5.4
257.18942	12.8
259.20560	33.3
261.22067	3.6
267.15845	2.9
269.17072	8.7
271.20526	1.9
273.18527	2.6
275.20029	20.7
276.20358	3.1
277.21579	2.4
291.19632	2.1
297.22153	3.4
313.21518	2.7
315.23108	4.6
321.22095	2.8
327.23111	2.1
331.22684	2.8
333.24280	38.5
335.25833	4.7
339.26794	2.0
347.22031	2.0
349.23792	17.7
363.26807	2.1
367.25250	3.2
407.29291	2.3
417.31244	2.7
421.31033	2.7
435.32477	3.1
445.30527	3.2
447.32184	2.2
453.33786	2.8
461.33942	3.4
495.34311	2.7
499.34000	3.7
513.35638	17.6
515.38519	8.0
527.37378	20.1
531.37134	3.6
533.39795	7.3
539.21558	2.3
539.37201	2.9
551.40552	4.1
553.38873	8.9
555.40112	3.0
556.39386	2.0
567.40253	7.3
571.41425	2.0
607.43500	63.1
608.43787	2.3
624.43091	2.2
625.44519	49.1
626.44238	2.3
660.43420	4.1
769.48767	2.8
787.50659	2.2
840.56409	3.4
841.46240	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	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	5.0
65.03923	5.4
67.05494	100.0
68.05813	1.5
69.03419	17.2
69.07056	56.6
71.01357	1.4
71.04595	1.5
71.04979	24.6
71.08611	1.2
73.02905	5.5
73.20200	0.9
77.03898	2.2
79.05479	79.2
81.03404	19.2
81.07042	88.5
82.07369	1.4
82.54604	0.9
83.04974	12.7
83.06699	0.9
83.08609	12.7
85.02885	9.8
85.06522	4.3
87.04433	1.3
91.03948	2.2
91.05463	56.7
92.05782	1.9
93.07027	83.4
94.07367	2.3
95.04956	18.2
95.08589	59.2
96.08918	1.5
97.02876	11.8
97.06514	74.5
97.10146	6.4
99.04433	3.6
99.08076	7.4
101.02374	1.5
103.05469	3.6
105.04507	1.9
105.07016	43.1
106.49060	0.9
107.04936	12.0
107.08572	40.8
107.88795	0.9
108.08926	1.5
109.02872	3.5
109.06509	19.7
109.10140	25.7
111.04410	2.4
111.08086	5.7
113.06020	2.2
115.05463	2.5
115.07549	30.7
116.06199	1.1
117.06998	22.5
119.04935	1.7
119.08568	33.9
120.08945	1.8
121.06485	6.9
121.10121	30.1
122.10465	1.3
123.04420	1.5
123.08072	7.3
123.11687	7.5
125.09601	3.2
127.03874	7.5
127.07507	2.7
128.06244	3.1
129.05499	2.6
129.06979	11.1
130.07829	1.1
131.07030	1.7
131.08549	27.6
132.08864	1.2
133.06482	4.3
133.10101	25.3
135.04390	1.2
135.08026	13.1
135.11671	18.1
135.12643	1.8
136.11934	1.0
137.09541	4.8
137.13206	1.2
141.06969	3.2
142.07695	1.3
143.08540	8.7
145.04915	1.7
145.06454	2.6
145.10098	21.1
147.08017	7.4
147.11653	14.5
149.09595	7.9
149.13228	13.8
151.11162	4.2
153.09003	1.1
155.08554	3.0
156.48828	0.9
157.10092	9.1
159.08063	5.0
159.11676	12.5
160.09692	1.6
161.09601	8.1
161.13261	5.5
163.07471	1.4
163.11143	5.4
163.14795	3.4
165.09122	1.1
165.12796	1.5
167.08466	1.4
169.10092	4.9
171.08073	1.7
171.11676	6.9
173.04424	5.2
173.09628	3.2
173.13260	6.4
175.11166	4.2
175.14803	3.0
177.12720	5.0
179.14240	2.6
180.14600	1.2
181.10172	1.4
183.11678	2.7
185.09575	1.1
185.13261	3.7
187.11189	2.1
187.14819	3.8
189.11189	1.8
189.12747	1.9
189.16322	1.3
191.10664	1.3
191.14221	1.8
195.11673	2.6
195.13693	2.3
197.13202	3.0
199.11177	2.1
199.14816	3.3
201.07538	3.0
201.12683	1.1
201.16399	1.5
203.14278	1.4
205.12128	1.6
205.15723	1.0
207.13765	1.1
211.14859	1.1
215.14412	1.4
217.15865	10.0
219.17421	1.0
221.15327	2.0
227.12805	2.8
227.17912	3.8
229.14151	1.1
230.17680	1.1
231.17215	1.1
233.15370	3.4
235.16887	1.4
237.16222	1.5
241.19470	1.8
243.21091	3.7
245.19005	4.2
247.16821	1.6
249.14926	1.2
253.14322	3.9
255.17445	3.5
259.20581	5.2
261.14774	1.0
261.22040	10.8
263.20041	1.5
267.15826	2.0
269.17456	14.2
271.16986	1.4
273.18430	31.3
275.20016	4.9
277.21561	2.6
279.15964	1.3
289.17938	1.8
291.19482	20.8
292.19879	2.7
293.20862	1.2
307.18954	5.0
311.20184	1.0
315.19391	2.0
315.22812	1.4
317.24796	2.4
319.22501	1.4
329.21252	1.9
333.24188	1.9
335.25754	97.7
336.26093	3.4
337.26474	1.4
341.24542	1.0
347.22070	14.4
349.23801	2.4
365.23181	14.8
366.23264	1.8
367.23843	1.2
383.24139	2.4
391.28806	2.0
435.23865	1.4
460.22125	1.5
501.35696	1.0
505.34756	1.1
515.37390	3.3
529.38800	29.6
530.38971	1.7
533.39636	1.5
541.38550	1.1
545.37836	1.7
548.26923	1.6
551.41003	1.9
553.39581	1.0
555.40051	2.1
557.38263	2.3
567.40234	4.2
583.40063	1.2
585.41400	2.2
597.44745	1.3
606.28522	1.5
607.28735	5.7
607.43323	10.5
608.29291	2.0
625.44470	25.4
626.44482	2.2
641.43622	1.9
642.44531	2.7
643.45117	16.7
691.44830	1.4
787.49219	2.7
823.45276	1.7
841.46991	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	840.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	4.6
65.03916	4.8
66.54020	0.9
67.00166	1.0
67.05494	93.2
69.03418	19.3
69.07056	57.8
70.08080	0.9
71.04594	1.8
71.04981	25.1
71.08608	1.7
71.80218	1.2
73.02910	6.9
77.03906	0.9
79.05481	80.3
81.03410	19.4
81.07044	95.3
82.07352	1.3
83.04971	13.4
83.08607	14.8
85.02888	10.2
85.06537	4.4
87.04476	1.2
91.05465	64.1
92.05803	1.4
93.07028	81.7
95.04958	18.3
95.08593	63.6
96.08956	1.8
97.02870	13.1
97.06516	100.0
97.10142	5.3
99.04423	3.0
99.08112	5.9
101.02406	1.2
103.05441	1.8
105.03428	1.1
105.04483	2.1
105.07014	43.8
106.07314	1.0
107.04945	11.7
107.08574	44.3
108.08929	1.3
109.02835	5.3
109.06506	22.6
109.07186	1.8
109.10139	27.1
110.10425	1.5
111.04423	2.3
111.08066	8.0
111.11709	1.0
113.05994	3.7
114.09170	3.0
115.05441	3.4
115.07553	34.0
116.06219	2.4
116.07040	1.1
117.06999	22.7
119.04924	1.6
119.08556	29.7
121.06480	8.8
121.10130	29.2
123.08052	6.7
123.11687	5.9
125.06005	1.6
125.09618	4.6
127.03905	6.4
127.07572	2.4
128.06221	3.6
129.05499	2.5
129.07001	11.1
130.07703	1.2
131.07069	2.0
131.08545	30.7
133.06502	6.9
133.10106	25.7
135.08044	13.7
135.11667	20.3
137.09598	4.4
139.07503	2.6
141.06926	5.0
142.07764	2.6
143.08551	9.1
145.04993	1.9
145.06465	2.8
145.10091	18.6
147.08008	7.8
147.11664	12.9
149.09599	8.8
149.13232	13.1
151.11176	5.5
155.08548	2.3
157.10138	8.9
159.08047	3.5
159.11688	15.8
160.09691	5.7
161.09627	7.4
161.13214	7.3
163.07549	1.9
163.11172	3.9
163.14801	3.1
165.12718	1.3
169.10107	3.0
169.12181	1.7
171.11661	6.2
173.04460	6.8
173.09567	3.4
173.13213	8.7
175.11166	5.5
175.14767	3.5
177.12738	4.9
179.14301	1.4
181.10110	2.0
181.12404	1.1
183.11674	2.5
185.09598	1.5
185.13225	4.5
187.11189	2.4
187.14816	3.6
189.11128	1.3
189.12715	1.5
189.16342	1.6
192.67291	1.0
195.11978	1.3
195.13806	4.4
197.13251	2.4
199.11183	1.9
199.14828	3.6
201.07524	2.4
201.12762	2.5
203.14357	1.8
205.12161	1.2
209.13171	1.3
211.14822	1.9
213.12741	1.7
213.16483	1.3
217.15872	12.3
218.16032	1.2
219.13788	2.0
221.15302	2.7
223.13161	1.1
225.16486	1.2
227.12653	1.4
227.17921	4.2
233.15387	5.2
237.16472	1.3
241.10492	1.3
243.21124	3.0
245.18999	4.2
249.14876	1.4
253.14261	5.3
255.17458	3.7
257.18945	1.7
259.20621	2.8
261.22104	9.2
263.20154	1.7
263.88510	1.0
267.15823	2.1
269.17435	21.8
273.18439	36.7
274.18753	1.9
275.19955	4.2
289.17712	1.3
291.19504	20.8
292.19556	1.5
297.17004	2.0
303.19644	1.2
307.19012	2.8
309.20639	1.3
315.14752	1.1
315.19247	1.6
317.24734	1.9
329.21136	1.3
333.24374	1.9
335.25748	80.0
336.26517	2.2
347.22125	15.6
365.23224	16.1
383.24200	2.0
384.00455	1.1
391.28494	1.3
435.32263	1.0
448.56964	1.0
471.56656	1.1
515.37146	4.6
527.37006	1.4
529.31122	2.1
529.38831	32.9
529.46796	1.7
530.39069	2.0
531.36920	1.1
545.38806	1.4
557.38013	3.1
567.40228	3.4
590.95569	1.1
607.43451	7.9
625.44452	23.7
643.45447	10.3
787.47937	1.5
841.45862	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	839.37
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20378	1.0
67.05487	3.1
68.99764	0.8
69.03409	3.3
69.07054	3.5
69.92787	6.0
70.06571	2.6
71.04958	2.2
73.02916	2.2
79.05508	1.8
81.03410	9.0
81.07037	2.7
83.04967	1.9
83.08605	1.0
84.04499	1.1
85.02916	4.8
87.04450	1.0
87.05580	1.7
91.05464	3.1
93.07020	2.2
94.06548	4.7
94.54411	0.8
95.04952	3.2
95.08604	1.3
97.02872	3.8
98.21470	1.2
99.04505	0.9
100.27264	1.0
105.07009	2.3
106.06535	3.9
107.04942	1.6
107.07315	1.4
107.08591	1.9
108.08108	13.9
109.02859	3.2
109.10133	1.0
110.05985	1.4
112.07581	0.9
114.09172	1.5
114.10291	1.0
118.06550	0.9
119.04924	0.9
119.08541	2.3
120.08129	1.5
121.10154	1.5
122.06023	11.1
122.09622	1.0
123.04430	1.2
123.08074	1.0
124.07555	1.0
124.72775	0.8
125.09647	1.1
127.03913	2.1
130.08629	1.7
132.08092	1.4
133.06049	7.3
133.10097	1.0
134.05991	2.5
134.09589	0.9
136.07581	5.2
137.05945	2.4
138.05545	1.2
140.07053	11.7
144.04475	1.1
145.02826	2.6
146.05981	6.0
146.09563	0.9
147.04387	3.9
147.08047	0.9
148.07527	8.7
150.09116	3.1
152.07018	3.8
153.05388	1.2
157.10057	1.4
157.54849	0.8
160.07587	2.4
160.09744	1.5
161.05974	1.1
162.05440	1.8
162.09138	2.7
163.03867	2.7
163.11136	0.9
164.07043	2.9
166.08624	4.1
167.07033	4.0
172.03891	8.7
174.05493	6.8
174.09135	1.8
175.03912	1.3
175.14720	0.9
176.07050	6.9
177.05484	4.5
190.04944	3.0
190.08707	0.9
192.06517	1.8
193.12183	2.1
200.07024	1.1
202.08604	1.2
204.06514	11.7
206.08110	3.5
207.06508	1.8
208.09700	7.4
208.76085	1.0
209.10780	1.3
210.11354	1.3
211.12270	3.4
212.12968	2.0
213.13954	0.9
216.06512	1.0
218.08191	1.1
221.10869	1.0
222.11423	1.7
223.12283	3.4
224.13008	2.0
225.10231	3.5
225.13806	3.1
227.11803	3.1
234.11446	1.2
235.08588	1.7
235.12257	3.1
236.09279	1.9
236.12923	1.4
237.10219	9.1
237.13947	2.7
238.10980	6.9
239.11746	16.4
240.12541	3.8
241.13290	2.5
248.09428	3.9
249.10172	8.1
249.13908	1.4
250.10881	7.1
251.11789	27.7
252.12494	8.1
253.09557	1.0
253.13339	16.2
254.13968	3.0
255.11351	1.3
262.10947	1.6
263.08820	1.2
263.11752	20.2
264.08932	1.4
264.12509	6.2
265.09711	7.9
265.13327	22.7
266.10757	5.7
266.13953	6.4
267.11298	6.3
267.15656	5.6
268.11850	2.3
269.12833	3.6
271.14325	2.8
274.10773	3.0
275.11719	1.9
276.12399	2.3
277.09888	6.4
277.13159	5.5
278.10437	10.3
278.13458	1.3
279.11255	100.0
280.11951	10.8
281.12790	20.1
282.13513	1.9
283.10944	1.3
283.14401	1.3
285.12308	2.9
287.14081	1.4
291.11230	10.7
292.11899	9.4
293.12814	14.9
294.13516	3.1
295.10715	5.1
295.14383	4.2
296.11670	1.8
297.12277	14.2
298.13037	2.2
299.14008	4.4
305.12744	2.1
307.10580	2.2
309.12347	10.3
310.12827	21.2
311.13809	18.4
312.14542	2.1
313.11737	2.9
313.15466	3.2
319.10757	7.6
320.11432	2.3
321.12286	16.8
322.12979	1.2
323.13785	3.1
324.14713	1.4
325.11575	1.2
327.13330	1.3
331.16418	1.3
336.10583	1.2
337.11951	5.7
338.12558	3.0
339.13434	10.7
340.13855	1.7
341.15100	4.0
345.14426	3.9
351.13284	2.1
353.14954	3.9
354.16049	1.0
369.14398	3.3
371.15869	2.4
372.16678	5.6
379.12555	1.1
381.14301	5.1
383.15790	2.3
393.14624	1.6
395.16003	4.1
397.17429	3.3
399.15454	1.4
400.16373	3.8
401.17184	2.1
405.14362	1.7
407.15891	1.4
409.17953	1.3
411.15631	1.2
413.17081	2.5
415.18610	2.5
419.15997	1.7
423.15323	2.3
424.16013	1.4
425.17151	1.7
430.17636	1.0
433.19705	4.7
435.15302	2.5
437.17020	4.2
441.16580	11.8
442.17307	2.6
443.18542	1.4
445.13928	1.4
447.15994	1.0
453.16556	8.2
454.17230	3.5
455.17944	3.3
459.27396	4.2
460.18643	1.2
463.14838	4.1
464.15591	2.1
465.16385	5.4
469.15906	1.6
471.17606	3.5
477.28351	1.5
478.19531	1.2
481.16000	20.2
482.16803	9.3
483.17545	17.5
484.18045	1.1
495.23148	2.1
499.16623	1.4
503.19925	3.1
513.18469	5.9
514.19196	1.8
515.20233	8.2
516.20465	1.4
525.18878	1.7
528.21069	1.1
543.19727	34.2
544.20355	7.7
545.21204	23.1
546.21368	2.3
552.20825	0.9
560.24213	1.2
566.21570	1.2
568.20599	2.1
575.22528	5.9
576.22833	1.4
577.23846	13.9
578.24982	1.1
586.22235	4.4
587.22162	1.0
604.22955	7.2
618.24225	2.2
622.23871	28.5
623.23962	1.2
636.25183	3.5
643.27155	2.1
648.24860	3.0
654.26428	12.8
666.26801	5.6
667.27228	1.6
672.27148	1.3
684.27570	94.3
685.27893	5.6
691.26422	1.5
709.28613	11.5
716.30170	19.6
717.30792	1.2
727.29590	5.4
741.30780	1.2
745.30719	15.1
777.32935	5.0
789.32709	1.8
807.34106	14.9
839.36249	3.4
867.44812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.7
67.05489	2.3
69.03410	2.5
69.07051	2.8
70.06577	1.5
71.04856	1.4
72.08167	1.0
73.02904	2.0
79.05475	1.5
81.03403	6.7
81.07030	1.4
83.04950	1.2
84.08144	0.9
85.02898	4.7
85.94276	0.8
87.04427	1.1
91.05465	1.9
92.20982	0.7
93.07026	1.8
94.06543	2.7
95.04960	2.5
95.08589	1.0
97.02882	2.4
99.04428	1.0
105.07012	1.7
106.06566	2.3
107.04930	1.2
107.07296	0.8
107.08623	0.7
108.08105	12.4
109.02886	1.6
109.10130	0.8
112.07677	0.8
114.09148	1.1
119.04988	1.6
119.08574	1.5
120.08090	1.5
121.10196	0.8
122.06017	9.7
122.09706	1.1
127.03905	1.0
129.05447	0.8
130.08560	1.2
132.08075	1.0
133.06027	4.1
134.06001	2.2
136.07559	5.4
137.05960	1.9
138.05424	1.6
139.11032	0.7
140.07045	10.7
144.04462	1.4
145.02817	1.8
145.10083	0.8
146.06004	4.2
146.11736	0.7
147.04372	3.8
148.07538	7.4
150.09132	3.8
152.07042	4.4
158.05862	0.8
158.09619	0.9
159.08058	0.8
160.07587	2.9
162.05530	1.5
162.09183	2.4
163.03922	1.1
164.07082	3.1
166.08597	3.7
167.07042	1.5
172.03894	8.3
174.05521	6.1
174.09087	1.4
176.07022	5.6
177.05472	3.1
178.08641	1.5
181.04912	0.9
181.08751	1.0
182.09656	1.0
190.05000	3.1
191.05725	1.1
192.06564	1.1
193.12318	1.0
197.10806	0.7
200.07094	0.9
200.12579	0.7
204.06537	10.0
204.08054	0.8
206.08105	3.4
208.09639	5.5
209.10728	1.5
210.11394	1.0
211.12245	3.7
212.12990	1.0
216.06490	1.2
216.10167	0.9
221.10680	1.5
222.11406	1.4
223.12265	3.8
224.13025	1.7
225.10234	3.0
225.13889	1.7
226.10971	1.3
227.11838	2.8
229.13438	1.3
231.75343	0.8
232.09677	1.0
235.08644	2.3
235.12163	3.4
236.09200	1.6
237.10162	7.6
237.13933	1.8
238.10922	6.0
239.11748	14.8
239.15353	1.0
240.12601	2.3
241.13390	2.4
247.12367	0.9
248.09491	2.6
249.10185	6.6
249.13965	0.9
250.10910	7.0
251.11765	23.9
252.12480	6.6
253.13313	14.8
254.14188	1.7
262.10995	1.7
263.08768	1.5
263.11743	20.4
264.09033	2.3
264.12582	5.3
265.09790	7.6
265.13406	21.5
266.10733	4.6
266.13910	5.9
267.11346	5.6
267.15479	3.1
268.12021	2.7
269.12939	2.4
271.14459	2.0
274.10803	2.8
275.11841	2.1
276.12427	1.5
277.09763	7.1
277.13394	6.4
278.10440	7.9
279.11243	92.4
280.11929	9.6
281.12817	18.3
282.13327	1.3
283.14417	1.5
285.12430	2.3
287.13965	1.1
291.11279	9.2
292.11856	8.5
293.09470	1.7
293.12701	12.6
294.13708	3.4
295.10812	4.5
295.14432	3.7
296.11407	2.0
297.12280	13.1
298.13242	2.1
299.13937	3.0
303.11322	1.0
305.12738	1.2
307.10760	1.3
309.12262	9.6
310.12836	14.9
311.13852	15.3
312.14572	1.2
313.11887	3.2
313.15500	4.6
315.13620	1.1
317.12766	0.9
319.10776	7.1
320.11328	1.5
321.12274	14.3
321.15829	1.1
322.13211	1.0
323.13773	3.6
325.11755	1.2
329.14932	0.9
331.16611	1.2
335.13837	1.4
337.11832	4.8
338.12589	1.7
339.13342	11.0
340.14032	1.7
341.14990	3.3
345.14648	2.7
351.13434	2.3
353.14944	1.9
358.15384	1.3
365.15109	0.9
369.14471	2.9
371.16101	0.9
372.16568	6.2
379.12604	0.8
380.13828	0.9
381.14243	3.5
382.15112	1.2
383.15918	1.1
395.15988	4.1
397.17712	2.9
399.15128	0.8
400.16330	4.2
401.16812	2.4
405.14410	1.9
407.16110	1.1
411.15717	1.6
413.17224	1.8
414.18146	1.1
415.18744	3.1
419.16177	1.3
420.16635	0.7
423.15393	3.6
424.16418	1.0
425.17221	1.7
433.19565	4.8
435.15564	2.8
437.17139	2.5
439.14886	1.1
441.16522	9.6
442.17444	2.3
445.14191	1.1
447.15686	0.9
451.14902	0.9
453.16498	9.4
453.96179	0.8
454.17297	3.2
455.18097	2.9
459.27451	3.0
460.18640	1.1
463.14755	4.5
464.15521	1.0
465.16483	4.4
471.17764	3.1
481.16049	18.9
482.16699	7.6
483.17566	16.7
484.18411	1.4
495.23743	2.3
497.19525	1.0
502.19559	0.9
503.20477	3.1
508.18152	1.0
513.18628	3.9
514.19354	1.1
515.20154	7.5
516.21490	1.4
526.19525	1.2
527.20178	0.8
543.19696	34.6
544.20380	8.9
545.21234	23.4
546.21802	2.1
558.22809	0.8
560.23956	1.1
564.22882	0.8
566.21405	0.9
568.20984	1.5
575.22321	3.9
577.23743	9.3
578.24652	1.3
583.24921	0.9
586.21875	4.6
600.24005	1.0
601.26678	0.9
604.23059	8.4
618.24182	2.1
622.23822	32.9
623.24493	2.0
636.25513	3.9
640.25281	0.9
643.28040	1.1
648.25494	2.6
653.05286	0.8
654.26404	10.7
666.26575	5.0
667.27161	0.9
684.27539	100.0
685.27917	7.0
691.27686	1.3
709.28766	12.2
716.30200	18.1
717.30603	1.4
727.29565	6.8
741.31372	2.1
745.30554	15.2
746.31122	1.8
777.33136	3.0
789.33234	1.4
807.34454	14.9
839.35870	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33398	0.7
65.03909	3.3
67.05493	50.8
69.03407	4.6
69.07054	38.2
69.84807	1.2
69.85220	4.5
71.04980	4.7
71.08585	1.2
73.06496	1.2
77.03913	1.0
79.05479	43.4
81.03407	11.8
81.07040	71.2
82.07371	0.9
83.04966	8.7
83.08604	11.2
85.02888	1.2
85.06512	2.7
87.04452	4.7
90.41400	0.8
91.05460	59.8
92.05782	1.3
93.07028	52.2
95.01309	7.8
95.04955	15.2
95.08588	36.6
97.02849	2.5
97.06512	37.5
97.10144	5.2
98.21404	1.7
99.08063	2.7
101.05950	0.7
103.05466	2.2
105.07010	79.7
107.04932	20.8
107.08576	31.4
109.02856	1.6
109.06503	6.4
109.07150	0.9
109.10137	12.8
111.04420	1.3
111.08065	5.0
113.09624	1.5
115.05442	1.5
117.07001	19.2
119.08562	46.0
121.06511	5.4
121.10128	18.1
123.04398	2.7
123.08034	4.0
123.11686	3.4
125.09621	4.2
127.03869	2.3
128.06206	1.4
129.06985	4.8
130.07741	1.4
131.08540	28.5
133.06415	1.3
133.10104	49.1
135.08061	6.0
135.11670	13.2
136.06151	8.5
137.09564	3.7
137.13205	0.9
139.07483	2.2
141.06972	2.0
143.08502	5.9
144.09329	0.8
145.05104	0.9
145.06439	3.0
145.10103	23.9
147.08005	1.6
147.10539	1.6
147.11661	22.2
149.09599	14.1
149.13229	9.5
151.11162	2.9
155.08521	2.2
157.10101	5.7
159.11668	14.8
161.09579	2.3
161.13248	7.6
163.11157	9.9
165.09088	2.4
166.35837	0.9
169.10097	4.7
171.11649	4.3
173.04332	1.5
173.13260	5.9
175.14806	1.3
177.12718	7.0
179.14275	13.6
179.15704	1.3
181.12267	1.0
183.11685	3.5
185.13257	1.7
187.11172	3.4
187.14868	1.4
189.12704	1.3
193.12186	1.4
195.13737	3.2
197.13199	2.7
205.12189	1.2
215.14272	1.2
215.17825	1.1
219.13623	1.0
219.17352	1.8
223.13208	1.2
227.12770	3.5
229.19432	2.4
233.18831	1.5
239.17873	3.3
247.16817	1.0
247.20549	3.2
251.16356	2.2
255.15826	7.8
257.18970	11.3
259.20392	1.4
267.15842	1.6
269.17410	20.0
271.40097	1.0
275.20013	94.6
276.20355	2.2
279.15906	2.0
291.19452	2.0
293.18222	1.0
293.21097	7.3
311.22256	0.9
321.24008	0.9
331.22675	3.6
349.23669	66.1
350.23962	1.6
367.24680	5.2
413.21640	3.1
499.97266	0.8
503.33478	2.6
504.04517	0.9
511.34512	1.3
519.33020	1.3
529.35193	29.4
530.35657	1.6
543.36731	100.0
544.36853	4.7
583.40198	1.6
595.42511	1.3
605.41620	3.2
623.42944	50.6
624.42957	2.7
641.44067	10.3
673.39569	1.6
676.45422	1.1
687.41663	4.9
838.53076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	1.2
61.02922	1.2
65.03916	6.1
67.05492	81.7
69.03420	5.7
69.07058	28.1
71.04990	7.6
71.08597	1.8
77.03892	1.8
79.05481	68.8
79.15916	1.1
81.03401	8.8
81.07043	88.2
83.04964	12.9
83.08607	14.2
85.02875	2.7
85.06511	7.4
87.04457	2.4
91.05466	95.1
93.07027	70.9
95.01376	0.9
95.04950	18.5
95.08594	48.1
97.02880	1.7
97.06513	10.2
97.10133	5.4
98.20698	1.7
99.04453	1.7
99.08079	2.0
99.28851	0.9
103.05456	3.5
105.07015	90.6
106.07342	1.3
107.04932	9.1
107.08577	56.3
109.06504	12.1
109.10139	56.2
111.08062	5.5
113.06011	1.4
113.09673	1.2
114.09137	2.3
115.05436	4.0
116.06236	1.6
117.07000	24.2
119.08565	58.9
121.06499	5.8
121.10119	25.2
123.04416	1.4
123.08051	6.3
123.11668	10.5
125.05921	1.3
125.09598	4.7
127.07516	2.9
128.06204	5.6
129.05499	1.4
129.06981	15.8
130.07753	1.1
131.08546	32.3
133.06467	3.7
133.10107	100.0
134.10480	1.5
135.08040	9.3
135.11667	18.6
136.06189	1.9
137.05934	1.1
137.09589	5.2
139.07552	1.2
139.11102	1.7
141.06966	3.2
142.07767	2.2
143.08543	15.3
144.09363	1.6
145.06506	1.7
145.10095	26.0
147.08035	7.1
147.11656	31.7
147.12843	1.8
148.12044	1.3
149.09584	6.8
149.13240	9.1
151.11160	30.8
153.09059	1.5
153.12691	1.1
155.08543	4.9
156.09132	1.0
157.10118	13.3
159.08066	2.9
159.11659	19.1
160.09636	3.5
161.09622	7.2
161.13219	18.5
163.07468	1.0
163.11140	3.2
163.14784	2.0
167.08521	2.8
169.10074	5.7
169.12212	4.3
171.08032	1.6
171.11642	14.7
173.09592	1.9
173.11790	2.1
173.13211	12.5
175.11169	3.9
175.14787	7.3
177.09119	1.6
177.12752	3.4
179.10641	2.4
179.14311	1.6
181.10100	2.3
183.11717	4.6
184.07309	1.7
185.13219	9.9
187.11151	1.7
187.14818	4.2
189.12743	3.2
189.16359	1.5
191.14323	1.2
193.12201	1.6
195.11656	2.6
197.13229	2.6
199.11060	1.4
199.14815	6.0
201.16260	1.9
203.14282	2.3
207.11717	1.7
207.13622	1.3
209.11449	1.4
209.13251	1.6
211.14778	2.4
213.12836	1.6
213.16400	4.0
215.12753	3.6
217.15947	1.3
217.19388	1.2
219.11861	1.0
221.13292	1.5
227.17976	2.4
229.14233	2.1
229.19466	1.1
231.17371	2.3
231.21088	5.5
235.14865	1.5
237.16464	1.8
239.17947	2.3
241.19482	17.7
243.17421	1.5
245.18956	3.3
253.14305	76.8
255.17615	1.5
257.18961	4.8
259.20535	52.8
261.22073	1.2
263.20090	3.2
271.15363	3.5
273.18475	15.3
275.19974	4.1
276.20502	2.3
277.21591	3.0
289.17923	5.6
289.21106	1.2
291.19510	20.4
292.19644	1.4
297.22113	1.2
313.21585	2.4
315.23096	8.7
327.23105	1.2
331.22446	1.3
333.24203	52.5
335.25778	6.5
339.23154	1.5
347.22141	3.4
349.23575	1.7
351.25607	1.5
353.28442	2.4
363.21469	2.9
365.23148	34.6
366.23392	1.2
381.22653	1.4
409.31302	2.2
419.29199	2.6
437.30423	4.4
455.31665	4.9
463.82187	1.0
479.36725	2.9
487.34381	1.8
501.35730	5.4
511.34052	18.7
513.36902	2.0
525.35321	1.6
529.35138	23.9
531.38416	6.3
543.37140	2.6
549.39117	3.7
595.43140	1.7
605.42078	10.3
623.42981	53.3
624.42615	1.9
641.43939	14.2
749.46313	1.9
838.50891	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	838.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	5.6
67.05497	73.0
69.03424	14.4
69.07059	47.8
69.68111	5.3
69.68544	4.0
71.04981	6.7
71.08582	1.2
73.02920	1.0
79.05483	73.7
81.03416	9.9
81.07044	75.2
82.07361	1.1
83.04981	8.8
83.08608	19.5
85.02870	2.6
85.06522	3.1
87.04445	3.3
91.05470	80.9
93.07033	79.0
93.78879	1.3
95.04955	19.4
95.08594	44.8
97.02872	11.4
97.06506	11.5
97.10149	21.9
98.21355	2.2
99.04430	1.1
99.08082	2.5
101.05977	1.2
103.05441	2.3
105.04521	2.1
105.07018	84.9
107.04940	10.6
107.08579	42.9
107.09315	2.1
109.02856	2.2
109.06528	7.1
109.10141	23.1
110.17970	1.0
111.04398	1.5
111.08057	5.1
111.22351	1.0
113.05997	1.2
114.09174	2.6
115.05445	4.3
116.06224	1.3
117.06999	31.3
119.08567	70.4
121.06492	7.3
121.10126	30.8
123.08043	7.8
123.11723	5.4
125.09608	15.7
127.03959	1.5
128.06163	5.8
129.06990	17.0
130.07762	1.8
131.08549	40.2
133.06479	3.6
133.10109	51.3
135.08046	10.8
135.11688	16.8
135.79309	1.0
136.06174	3.8
137.09612	7.9
137.13280	1.3
139.11168	1.5
141.06993	3.9
142.07759	2.6
143.08546	16.6
144.09285	1.8
145.06467	1.6
145.10109	32.6
147.08040	8.1
147.11664	41.0
147.18384	1.4
149.09622	7.0
149.13239	10.3
151.11156	2.2
153.09036	1.9
155.08521	7.7
156.09369	1.9
157.10101	14.2
159.07990	1.8
159.11667	24.7
160.09702	3.9
161.09598	3.4
161.13246	24.1
162.10355	1.5
163.11134	5.5
163.14801	3.5
165.09081	2.0
165.12776	1.5
167.08542	2.4
169.10107	8.4
171.10272	1.1
171.11659	16.1
173.04457	1.1
173.09618	1.7
173.11810	1.9
173.13225	12.6
175.11223	5.9
175.14798	9.6
177.12714	3.6
178.46521	1.1
179.14308	2.4
181.10115	3.3
183.11679	7.4
185.13213	10.1
187.11044	1.2
187.14803	5.2
189.11189	9.2
189.12694	1.7
189.16371	1.9
192.61899	1.2
193.10234	1.6
193.12189	1.9
195.11700	4.2
195.13661	1.8
197.13275	5.7
199.14789	5.9
201.16335	2.7
203.10916	1.1
205.12180	1.8
209.13283	2.5
211.13113	2.1
211.14836	2.3
213.16353	3.8
215.18030	1.5
221.13280	1.7
223.13197	19.8
225.16267	1.7
227.12714	12.3
227.18140	1.3
229.19385	1.5
231.17447	1.7
231.21011	4.0
233.15466	1.4
235.14861	1.8
239.17867	4.5
241.19458	25.1
245.13741	1.8
249.14787	3.5
255.15802	2.3
257.18988	5.3
259.20541	54.9
267.15881	2.3
269.17322	8.0
271.20328	1.4
273.18536	10.0
275.20050	31.7
279.20795	1.3
289.17676	2.0
291.19513	100.0
292.19897	2.3
293.21100	1.9
297.22238	1.5
299.23544	2.7
313.21890	1.4
315.23209	9.0
323.23724	1.3
333.24200	55.9
335.25830	2.2
349.23761	22.0
365.23209	43.9
367.24353	1.7
379.29938	5.3
381.27472	1.3
413.21524	1.3
433.30951	1.7
451.32166	1.9
469.32932	1.2
503.33276	1.7
511.34250	2.0
513.36017	1.8
525.35474	11.0
529.35162	10.3
531.38403	2.4
543.36780	37.1
543.45123	1.9
549.39191	2.6
605.41693	10.9
623.42993	74.3
624.42944	2.3
641.44055	10.8
687.40778	2.8
838.43219	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	838.478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.3
61.02917	2.5
65.03930	3.2
66.98150	0.8
67.05496	83.3
68.05811	0.9
69.03419	6.1
69.07062	19.2
71.01328	2.0
71.04983	7.2
71.79559	1.4
71.79910	0.8
73.02900	2.0
79.05485	34.9
81.03407	100.0
81.07047	43.1
82.07382	1.5
83.04969	13.9
83.08609	28.0
85.02900	9.5
85.06536	3.3
87.04440	2.3
90.34857	0.8
91.05468	33.4
93.07028	23.3
95.04955	35.4
95.08594	17.6
97.02896	7.7
97.06530	7.0
97.10153	18.7
99.04472	1.7
99.08074	1.4
101.06034	1.0
103.05455	1.6
103.81775	1.0
105.04540	1.1
105.07014	22.4
107.04953	16.4
107.08580	18.3
109.02856	2.7
109.06502	10.3
109.10142	59.1
111.04440	5.2
111.08063	12.7
115.05434	2.0
116.06231	1.0
117.07004	7.9
119.04913	1.9
119.08572	23.5
120.08896	0.9
121.02889	1.3
121.06480	8.2
121.10133	11.3
123.04444	3.0
123.08035	5.7
123.11687	2.3
125.05944	1.2
125.09627	13.5
129.05466	3.6
129.06985	11.3
131.04921	1.9
131.08557	15.1
131.09541	0.9
133.06490	5.6
133.10107	9.2
135.04393	1.6
135.08040	5.6
135.11673	8.0
137.05939	2.3
137.09576	5.6
139.11162	1.6
141.06929	1.3
142.07770	3.0
143.08539	3.0
143.10715	1.1
145.06467	2.2
145.10107	10.8
147.04408	3.6
147.08035	7.2
147.11658	11.2
149.06081	1.3
149.09586	8.6
153.09106	2.4
153.12747	5.7
155.08510	2.8
155.10657	3.5
157.10091	15.1
159.08015	2.7
159.11700	3.4
161.05968	1.5
161.09651	3.5
161.13225	0.9
163.11165	12.7
165.12723	2.1
169.10066	2.4
171.07962	1.1
171.11722	1.3
173.09583	3.1
173.11739	14.3
173.13222	2.2
175.11176	12.3
177.12666	1.4
181.12186	5.9
183.11755	0.9
184.07315	1.2
185.13229	1.7
187.11159	1.6
189.11214	5.5
189.12695	1.2
191.10638	4.9
191.14188	1.6
193.12219	34.5
194.12442	0.9
195.11757	1.0
197.13405	0.9
199.13260	3.0
201.12772	1.4
203.10686	1.5
203.14311	1.7
205.12267	3.4
207.13837	1.6
209.11617	6.4
209.14944	0.8
211.13219	9.8
211.14886	1.1
217.12276	1.1
217.14265	2.4
219.13760	4.9
221.15372	1.6
223.11165	0.9
223.13243	2.1
225.14844	1.2
227.12721	17.5
227.14723	1.3
229.12279	1.5
229.14310	41.5
231.13802	3.6
232.14531	1.4
235.13339	3.3
241.12093	1.0
241.14340	1.2
247.13274	4.0
249.14743	5.8
256.11600	0.9
259.13260	5.3
267.15875	92.4
268.16220	2.2
271.16977	1.4
273.15164	1.5
273.18469	4.5
275.19897	1.5
277.14676	1.3
283.15396	14.1
285.17047	1.1
289.14771	0.8
289.17947	2.2
291.19717	1.1
293.17438	2.2
301.16614	8.1
309.16925	1.6
321.16907	1.8
333.16858	1.2
337.21515	1.3
347.21991	2.3
349.21338	1.5
355.22574	2.7
363.21780	1.0
365.21063	2.6
367.22717	3.8
373.23636	3.6
383.22202	8.1
385.23425	6.1
391.24860	2.0
399.23737	12.7
401.23132	9.5
403.24634	2.1
409.26077	1.2
419.24274	3.2
421.25812	22.0
422.25967	1.5
441.25760	1.3
457.25751	4.0
458.26501	13.9
459.27377	6.7
475.26886	19.8
476.27621	18.6
477.28378	4.2
493.27945	13.3
511.29059	4.2
518.32318	5.3
573.34088	2.4
591.35168	11.0
670.05920	1.0
839.42694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.1
65.03918	2.1
67.05497	50.2
69.03400	3.9
69.07057	29.7
71.79550	2.0
77.03925	1.1
79.05020	1.4
79.05480	35.1
81.03413	11.4
81.07045	72.9
83.04962	9.9
83.08602	9.1
85.06530	4.5
91.05467	68.6
93.07030	45.2
93.07460	0.6
95.01320	8.7
95.04955	12.0
95.08598	34.6
97.02832	1.2
97.06519	29.3
97.10165	2.9
97.63284	1.0
99.04465	1.2
99.08080	2.1
103.05437	3.5
105.07020	83.0
107.04940	19.8
107.08582	32.0
107.09312	1.6
107.18947	1.0
109.06486	7.6
109.09386	1.9
109.10139	31.5
110.10531	1.0
111.08054	4.0
113.06014	1.6
114.09129	1.7
115.05420	1.8
117.07007	15.5
117.96980	1.0
119.08566	38.4
121.06475	7.6
121.10131	12.2
123.04398	3.0
123.08054	6.0
123.11694	6.3
125.09621	2.7
127.07476	1.0
128.06216	2.0
129.06975	4.5
130.07745	1.1
131.08546	26.2
133.06470	4.3
133.10112	68.5
135.08044	8.8
135.11693	7.8
136.06158	3.8
137.09552	4.8
139.07521	2.3
139.11150	1.4
141.06956	1.3
143.08539	5.6
145.06429	2.9
145.10098	17.9
147.08040	4.3
147.11670	16.2
149.09598	10.0
149.13213	5.0
151.11165	15.9
155.08580	1.5
157.10178	5.6
157.11243	0.9
159.08061	2.5
159.11682	11.1
160.09666	3.8
160.11064	2.4
161.09607	4.8
161.13226	5.2
163.11148	4.1
163.53903	1.1
165.09082	2.9
169.10075	3.3
169.12236	1.9
171.11652	3.8
173.09674	1.1
173.13269	3.9
175.11159	4.4
175.14766	1.3
177.09038	1.0
177.12733	3.9
179.14287	12.8
183.11676	2.7
184.07353	2.1
185.13266	1.5
187.11191	2.2
189.12714	1.5
191.14346	1.4
195.13759	1.3
197.13226	1.4
205.12186	1.2
214.13110	1.1
215.12656	1.1
217.12334	1.0
227.17682	1.2
227.42047	1.1
236.25470	1.1
239.17943	1.8
245.19086	2.3
247.20486	2.5
251.12808	5.3
253.14323	64.9
255.17267	1.5
257.18936	7.3
258.08896	3.8
263.20218	1.7
273.18460	18.9
275.20032	81.8
276.20285	2.1
279.15729	1.6
283.15259	1.0
291.19507	20.8
293.21167	4.6
309.20523	1.6
329.20969	2.5
347.22156	10.3
349.23703	42.1
356.00485	1.0
365.23175	31.4
527.33514	1.4
543.32910	1.4
545.34723	11.4
559.35773	1.8
621.41321	15.6
639.42487	100.0
640.43115	5.0
657.43536	1.6
836.48779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	1.3
61.02915	11.9
63.56201	0.7
65.03924	1.4
67.05494	25.7
69.03424	11.0
69.07055	31.7
69.51757	7.9
71.01335	2.6
71.08624	0.8
71.84299	0.7
73.02901	100.0
73.09495	0.8
79.05473	12.6
81.07038	43.0
83.04960	26.3
83.08598	6.2
85.02888	64.9
85.06541	1.9
85.10208	0.8
87.04446	3.4
91.05452	12.4
93.07023	31.4
95.04963	2.8
95.08588	53.5
97.02872	10.0
97.06506	2.2
97.10152	5.2
98.21420	1.7
103.05487	0.8
104.71146	0.8
105.04495	0.9
105.07017	20.8
107.08568	41.7
109.06493	2.6
109.10133	92.0
110.10503	1.4
111.04416	15.0
111.08075	1.8
111.11710	3.3
115.03906	16.3
117.07005	4.2
119.08556	31.3
121.06486	2.1
121.09237	1.9
121.10120	37.5
123.08025	1.3
123.11684	43.4
127.03886	4.1
129.05438	8.3
129.06985	1.9
131.08531	12.3
133.04941	3.5
133.06482	1.3
133.09148	1.7
133.10104	22.3
135.08041	6.6
135.11662	39.9
137.09563	1.1
137.13222	20.3
139.07513	1.8
139.11143	1.3
141.06996	1.1
143.08536	8.5
145.10089	18.2
147.08037	1.9
147.11658	16.6
149.09607	2.3
149.13220	16.3
151.07529	3.0
151.14818	3.0
153.09097	2.1
153.12761	1.3
155.08554	1.9
156.09344	0.9
157.10104	9.2
159.08038	1.8
159.11664	19.2
161.09576	2.3
161.13243	12.0
163.07532	12.4
163.11140	1.6
163.14812	11.5
165.09090	2.5
165.16420	1.3
169.10091	2.3
170.10847	1.0
171.06499	46.7
171.11623	7.5
173.09593	1.6
173.13222	17.6
175.11214	1.7
175.14790	9.6
177.09077	8.4
177.12753	1.2
177.16371	4.3
179.10640	4.3
183.11679	2.6
185.13242	11.2
187.14789	19.3
189.09074	5.1
189.12711	1.4
189.16344	11.5
191.10588	4.2
191.17896	15.6
193.12158	1.9
193.19463	8.0
195.11731	1.6
197.13210	3.0
199.14787	6.5
201.12692	1.9
201.16336	12.8
203.10657	3.5
203.14252	1.3
203.17912	9.9
205.12227	2.3
205.15892	1.0
205.19479	2.8
207.13846	2.6
209.13246	1.6
211.14789	2.8
213.16309	4.8
215.14165	1.3
215.17909	4.3
217.12201	2.3
217.19504	3.5
219.13831	4.1
219.21054	3.6
221.15298	1.2
223.14806	1.8
225.16432	1.8
227.14323	2.1
227.17871	4.1
229.15868	1.4
229.19530	2.3
231.08562	3.9
231.13802	5.0
231.21034	1.2
233.15291	5.9
235.16891	1.3
237.16417	1.1
239.17938	2.1
241.15862	2.1
241.19493	3.4
243.17438	1.0
243.21086	3.4
245.15300	10.6
247.16876	7.6
250.71220	1.0
253.19444	1.9
255.17531	1.8
255.20999	2.7
259.16925	2.9
261.18546	1.3
267.20734	1.0
269.22708	1.0
271.16986	1.5
273.18466	2.7
275.19955	1.0
277.19522	1.0
281.19138	1.1
281.22610	1.2
285.18405	2.6
287.19965	1.1
299.20016	4.4
301.21680	2.4
309.25760	3.4
313.21622	4.0
315.23129	6.1
321.25946	1.4
323.27344	3.3
333.25699	1.1
341.24536	1.1
351.26797	6.9
367.26343	1.4
369.27835	60.0
370.28333	1.8
377.32129	5.8
381.27747	3.7
387.29025	4.1
391.33331	0.8
395.33304	1.4
399.28870	1.0
409.34656	2.2
419.33038	3.8
437.34070	29.9
455.35150	6.7
527.37183	3.4
530.51990	1.0
569.38489	2.0
587.39331	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	1.5
60.72545	1.2
61.02916	12.0
61.62244	1.1
65.03951	1.9
65.09779	1.2
67.05132	1.7
67.05495	34.2
69.03419	16.8
69.07059	36.3
71.01337	4.7
71.04977	2.4
71.08590	1.6
71.79619	1.8
73.02905	96.8
79.05478	14.1
81.03405	4.6
81.07044	52.2
83.04967	27.6
83.08605	9.2
85.02892	73.5
85.06526	1.8
87.00826	3.7
87.04456	2.5
91.00224	1.3
91.05457	15.7
93.07030	39.4
95.04942	5.4
95.08594	60.1
97.02875	17.4
97.06517	6.1
97.10163	6.1
99.04446	3.1
105.01867	1.7
105.07010	30.4
107.08578	51.9
109.02850	2.1
109.06499	5.0
109.10139	100.0
111.04433	12.9
111.08077	2.2
111.11707	2.9
113.27469	1.3
115.03918	17.1
117.06976	5.8
118.33654	1.1
119.08561	38.8
121.06525	2.8
121.10126	49.6
123.08029	3.4
123.11687	65.4
125.05937	1.5
125.09614	1.7
127.03890	9.7
129.05479	5.9
129.06985	2.8
131.08536	17.3
133.04955	2.3
133.10106	38.6
135.08041	8.0
135.11668	45.1
137.09566	1.4
137.13232	21.7
139.07529	3.3
139.11115	1.5
139.14357	1.2
141.06889	1.7
142.07806	1.3
143.08524	11.9
145.04921	3.1
145.10106	24.9
145.11203	1.9
147.08009	3.6
147.10556	2.4
147.11659	22.1
149.09605	2.9
149.13240	18.7
151.07561	3.7
151.11176	1.9
151.14821	2.7
153.09137	1.5
153.12837	1.3
155.08563	2.6
157.10127	11.3
159.11664	25.7
161.09598	2.9
161.13232	19.7
163.07530	10.9
163.11169	2.2
163.14790	12.7
165.09087	1.7
165.16438	1.4
167.10716	2.1
169.10138	3.8
170.10913	2.1
171.06500	46.1
171.11661	11.0
173.09650	1.6
173.13245	17.9
175.11119	2.4
175.14783	15.1
177.09103	7.4
177.16425	9.5
179.10652	2.9
179.14330	1.5
179.18007	1.5
181.10188	1.5
181.12250	1.5
183.11714	2.9
185.13228	11.8
187.09619	5.8
187.11205	2.8
187.14795	24.9
189.09125	3.8
189.16367	13.1
190.16620	1.2
191.10693	5.8
191.17915	18.7
193.12213	2.1
193.19522	7.5
197.13252	3.0
199.14743	8.7
200.19527	1.2
201.12636	2.1
201.16344	14.5
203.10649	5.0
203.14215	1.6
203.17929	12.0
205.12149	2.4
205.15825	1.5
205.19553	3.4
207.13765	1.9
207.17444	1.6
209.13251	1.9
211.14775	2.3
213.16409	6.2
215.17871	3.7
217.12231	3.1
217.15862	1.6
217.19519	3.9
219.13799	4.1
219.21158	3.2
221.15302	2.4
223.14789	2.7
225.16386	1.5
227.14484	1.5
227.17952	5.1
229.15919	1.7
229.19568	1.6
231.04967	2.0
231.08665	3.3
231.13800	6.3
231.17343	1.9
233.15370	6.7
241.15817	2.4
241.19527	2.4
245.15280	12.6
247.16925	13.7
249.06133	1.3
253.19505	2.7
255.17422	1.9
255.21158	2.9
259.16946	3.4
267.21082	2.8
273.18546	4.5
275.19797	2.6
281.18869	1.2
281.23022	1.3
285.18478	3.8
287.20099	1.5
295.20566	2.1
299.19897	5.7
301.21750	2.3
309.25687	4.8
313.21609	6.9
315.22980	6.4
323.27332	2.7
333.25436	3.5
351.26804	7.1
367.26233	2.6
369.27850	62.4
370.28049	1.4
377.32086	6.1
381.27951	2.2
387.29028	5.9
391.33804	1.9
395.33224	1.7
401.30539	2.6
406.79584	1.3
409.34845	4.2
419.33017	5.5
437.34067	37.6
441.30011	5.4
455.35165	56.0
456.35757	2.3
467.34891	2.0
489.86893	1.4
491.35349	1.3
509.35934	1.6
527.37262	3.4
533.36102	4.0
551.37201	3.6
569.38251	2.9
587.39374	40.9
630.23169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	2.4
61.02923	13.3
64.95571	1.2
65.03937	1.9
67.05496	32.4
69.03413	13.5
69.07058	30.6
71.01355	2.3
71.04982	2.9
71.08611	1.1
71.23677	1.1
71.78972	2.3
73.02905	100.0
73.60963	1.1
79.05477	12.9
81.03396	4.6
81.07042	43.0
83.04967	62.7
83.08609	9.2
85.02892	27.1
85.06541	2.0
85.38400	1.1
87.04438	2.8
91.05466	13.6
93.07030	32.8
95.04953	3.6
95.08595	50.1
97.02876	14.6
97.06518	3.6
97.10165	6.6
105.07018	27.4
107.04973	1.6
107.08575	45.1
109.06506	3.2
109.10139	87.5
110.10483	1.5
111.04428	41.7
111.08099	2.8
111.08823	1.0
111.11713	4.1
115.03902	15.3
117.07027	4.2
119.08557	33.8
119.09396	1.9
121.06499	1.9
121.10126	41.9
123.08094	2.7
123.11686	44.0
125.05968	1.2
127.03912	2.4
129.05467	7.6
129.06905	2.6
131.08556	13.6
133.04950	3.1
133.06490	1.2
133.10107	25.7
135.08026	7.8
135.11670	41.9
137.09624	1.6
137.13239	20.4
139.07524	2.5
139.11140	1.6
143.08546	8.7
145.10115	16.6
146.05983	3.3
147.04515	1.5
147.08054	2.1
147.11632	15.7
149.09613	2.5
149.13231	16.8
151.07492	2.6
151.14812	4.6
153.09123	2.3
153.12750	1.4
155.08482	1.6
157.10135	10.7
159.11674	22.3
159.12932	1.7
161.09666	1.8
161.13210	14.6
163.07512	7.4
163.11179	2.4
163.14812	10.4
165.09123	2.7
169.10115	3.2
171.06523	19.6
171.11623	9.1
173.09668	1.7
173.13211	14.9
175.11230	2.5
175.14767	10.5
177.09099	7.9
177.16341	6.6
179.10718	3.9
179.84593	1.3
183.11711	2.7
185.13229	10.2
187.11200	2.1
187.14798	19.8
188.07101	3.8
189.09081	5.9
189.12732	2.4
189.16322	10.2
191.10667	4.1
191.14316	1.8
191.17937	16.4
193.12279	2.8
193.19478	8.9
197.13275	2.8
199.14767	7.3
201.12642	3.2
201.16389	15.4
203.10689	3.7
203.17934	10.2
205.12238	2.4
205.19516	3.4
207.13809	2.7
209.13278	2.5
211.14812	4.5
213.16434	6.3
215.17963	4.3
217.12273	2.4
217.19511	4.0
219.13861	3.3
219.21103	3.8
221.15376	1.7
223.14799	1.7
225.16400	2.9
227.17975	5.2
229.19569	3.5
231.08485	8.3
231.13779	4.0
233.15363	5.5
239.17929	3.3
241.15813	1.8
241.19469	2.9
243.21069	3.5
245.15352	7.6
247.16930	8.6
253.19508	2.0
255.17590	1.9
255.21100	3.8
259.16779	2.6
267.21075	2.3
269.22577	1.6
271.16705	1.4
273.18405	2.7
275.19943	2.6
285.18546	2.2
299.20087	4.8
301.21442	2.6
309.22351	1.5
309.25705	4.5
313.21579	3.6
315.23102	5.9
321.25720	1.5
323.27219	3.0
329.24481	1.3
333.25656	2.4
351.26801	5.2
367.26370	2.4
369.27844	66.1
377.31979	6.3
381.27817	3.4
387.28949	3.8
395.33237	2.5
419.33044	4.4
437.34082	35.4
438.33978	1.6
455.35028	5.6
527.37042	3.9
569.38190	2.2
587.39294	39.7
760.99304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02775	0.4
58.51146	0.4
59.04980	1.2
61.02899	1.9
63.41017	0.5
65.03918	1.1
67.05492	15.2
69.03415	19.1
69.07055	14.0
71.01353	0.8
71.04984	3.8
71.79211	0.6
73.02905	3.5
77.03908	0.6
79.05481	8.4
81.03407	11.7
81.07040	30.1
83.04971	2.9
83.08601	5.3
85.02891	19.3
85.06523	0.9
87.00814	7.0
87.04436	1.3
91.05453	9.3
93.07028	22.1
95.04952	5.4
95.08589	33.0
97.02872	29.0
97.06505	6.4
97.10146	1.9
99.04437	6.4
99.08074	0.7
103.03884	0.6
105.01846	6.4
105.07015	15.4
107.04951	1.0
107.08575	31.6
109.02856	6.9
109.06495	4.2
109.10136	35.7
110.10474	0.6
111.04402	1.8
111.08073	3.2
111.11674	1.1
115.03911	5.4
115.05397	0.7
117.06980	3.0
119.08559	23.1
121.06523	2.5
121.10123	28.0
123.04439	0.6
123.08058	5.7
123.11683	52.4
125.05967	1.1
125.09622	1.2
127.03887	18.6
129.06978	1.0
131.08548	7.3
133.04990	0.7
133.06439	0.9
133.10106	19.8
135.08032	2.5
135.11670	25.5
137.05974	0.8
137.09601	0.9
137.13228	7.0
139.07501	3.1
139.11177	1.3
141.06987	0.8
141.09135	0.6
142.07764	0.6
143.08530	4.1
144.09293	0.8
145.04933	11.8
145.06302	0.9
145.10103	12.3
147.02844	0.8
147.08101	2.2
147.11662	15.1
147.50211	0.5
149.09605	2.2
149.13226	9.7
151.07523	2.4
151.11130	1.4
151.14772	0.6
153.09088	1.2
153.12700	0.8
155.07124	0.5
155.08511	1.7
157.10103	6.5
159.02855	1.4
159.08046	1.7
159.10332	0.9
159.11667	13.7
161.09637	2.5
161.13217	11.7
163.07504	2.0
163.11127	0.9
163.14790	6.6
165.09090	1.9
165.12721	0.8
169.08672	0.9
169.10101	2.3
170.10881	1.3
171.11655	4.8
173.08037	1.3
173.09604	1.8
173.13231	8.2
174.56786	0.4
175.03819	0.7
175.11166	1.8
175.14766	5.3
177.09096	1.4
177.12714	1.4
177.16373	3.8
179.10687	1.2
179.14322	2.0
181.10072	0.7
183.11678	2.1
185.09627	0.9
185.13240	4.2
187.09631	11.5
187.11194	1.5
187.14786	10.8
189.12781	1.6
189.16365	9.2
191.10643	2.8
191.14291	0.9
191.17915	8.5
193.12140	0.8
193.16020	0.5
195.11642	0.9
197.09502	0.5
197.13087	2.1
199.11131	1.0
199.14774	3.9
201.12611	2.3
201.16345	5.6
203.10570	0.9
203.14337	1.1
203.17909	7.5
205.12175	1.5
205.15813	0.7
205.19542	0.9
207.06552	0.7
207.13728	1.1
207.17397	1.6
209.13297	0.8
211.14789	1.8
213.04001	0.9
213.12779	0.6
213.16322	3.4
215.14406	1.1
215.17937	4.2
217.12242	0.7
217.15919	0.7
217.19511	1.9
219.13678	2.5
219.20959	0.7
221.15302	1.5
221.18987	0.7
223.14745	1.0
225.16411	1.6
227.14313	0.9
227.17947	1.8
229.15883	1.5
229.19505	1.5
231.04965	6.8
231.13806	1.8
231.20987	0.6
233.15393	1.6
235.14738	0.6
235.16905	1.4
237.16393	0.6
239.14488	0.6
239.17924	0.9
241.15933	0.6
241.19511	2.1
243.21059	1.1
245.15344	2.7
247.16873	7.3
249.06076	2.5
251.18167	0.8
253.19429	1.3
255.20996	2.6
257.15182	0.6
259.17004	1.1
261.18469	0.7
267.20984	0.8
269.22638	0.9
273.18411	0.8
273.22052	0.7
275.20032	1.0
279.10852	0.7
287.20087	0.6
293.22675	0.5
295.20395	0.7
297.22003	0.8
299.20142	0.9
301.21683	1.2
303.23224	1.0
313.21484	2.2
315.23090	5.1
321.25452	0.7
323.23578	0.6
323.27341	0.9
327.23184	0.5
331.22739	0.6
333.24719	0.5
341.24710	0.9
355.30051	0.6
369.27832	2.2
377.31985	1.3
381.27786	0.8
383.29346	5.2
387.28818	2.3
391.33511	1.1
395.33298	1.0
401.30530	5.0
409.34686	5.0
419.33023	4.2
427.31964	0.8
437.34085	22.8
438.34518	0.9
441.29880	10.9
453.29221	1.0
455.35141	100.0
456.35385	4.1
467.35104	2.9
479.35135	1.4
483.31064	2.0
491.34918	1.2
497.36206	3.3
507.35281	0.6
509.36053	2.9
521.36407	1.1
533.36200	7.8
551.37225	10.6
569.38263	2.6
587.39386	5.1
631.12738	0.5
835.45294	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	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	5.1
63.41493	0.4
65.03933	0.4
67.05494	4.7
69.03421	3.5
69.07060	1.8
69.64625	2.4
71.01344	0.5
71.08641	0.4
73.02908	4.4
79.05476	5.4
81.03407	1.8
81.07037	5.6
81.83459	0.4
83.01108	0.6
83.04985	0.8
83.08610	0.8
85.02892	5.5
86.09713	0.8
87.04477	0.4
89.06026	0.4
91.03946	2.4
91.05462	5.3
93.07029	7.2
95.04949	1.8
95.08606	3.5
97.02877	5.2
97.06541	0.3
97.10162	0.6
99.04443	0.5
101.02369	2.0
105.07006	4.6
107.08572	3.6
107.09132	0.4
109.02910	1.1
109.06554	0.6
109.10153	1.1
114.09130	0.6
117.06984	1.7
119.08565	3.5
121.10130	2.5
123.04402	0.4
124.99983	0.4
127.03920	1.2
129.05458	0.4
129.07056	0.7
131.08559	0.9
133.10098	2.3
135.11662	2.0
143.08525	0.7
145.10101	1.7
147.11646	2.3
149.13278	0.6
157.10104	0.4
159.11743	1.1
160.09743	1.3
161.13287	0.7
173.13300	0.4
175.14871	0.5
184.07323	2.1
185.04272	1.3
185.13263	0.9
187.14873	0.3
193.12209	0.4
201.03621	0.5
203.05270	0.7
231.35764	0.4
241.06778	0.4
243.08380	4.4
259.07944	0.5
259.20682	1.0
301.08820	2.3
313.27155	0.6
315.10501	1.0
317.21051	1.2
320.34869	0.4
341.12213	0.5
355.13638	0.7
371.16815	0.4
373.11081	0.8
373.23587	0.5
385.18338	0.7
397.18549	0.7
415.24545	0.5
465.20605	2.2
525.23065	2.0
535.28687	17.2
536.29077	0.7
591.32190	0.4
607.30957	2.2
621.32849	0.6
635.33661	0.8
677.38788	0.5
759.43280	0.4
829.50549	100.0
830.50964	4.9
836.55988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57529	0.4
62.02213	0.4
67.05463	0.5
67.67228	0.5
69.07042	1.1
71.58431	1.0
71.69434	0.4
81.06986	0.7
85.02886	0.8
92.85897	0.5
93.05726	0.4
94.06497	1.4
106.06491	1.4
110.05986	0.8
112.03962	0.6
114.49351	0.5
116.21569	0.4
120.04423	0.9
120.07984	0.7
122.06029	4.8
124.07523	1.3
134.05914	0.7
136.06586	0.5
136.07553	9.0
138.05450	0.9
140.06039	0.7
140.07047	11.6
144.04356	0.5
146.06010	2.8
146.09515	1.5
148.07584	4.4
152.06982	1.9
162.05528	0.6
164.07040	19.7
165.07620	0.4
166.08623	17.0
167.08839	0.5
172.03957	2.8
173.88290	0.5
174.05453	4.1
176.07051	4.0
190.04903	1.9
192.06487	0.9
204.06516	4.8
206.08067	0.7
208.09686	0.7
209.10379	0.5
210.11510	0.9
210.95911	0.5
211.12325	1.1
218.08153	1.1
221.10812	0.8
222.11342	0.8
223.12247	1.8
224.12907	0.7
225.13791	0.8
227.11696	0.6
235.08617	1.1
235.12282	1.5
236.13005	0.9
237.10220	4.2
237.13669	2.2
238.10916	3.1
238.14500	0.5
239.11830	5.2
240.12436	0.6
243.11201	0.6
246.07602	1.1
247.12283	0.6
248.09314	2.2
249.10239	4.3
249.14052	0.5
250.10970	4.6
251.11780	11.0
252.12437	1.5
253.13301	2.0
254.10201	0.6
255.11139	0.6
261.12350	1.4
262.06958	0.5
262.11038	0.9
263.11749	17.4
264.08743	1.7
264.12430	4.7
265.09711	6.4
265.13300	32.3
266.10437	0.7
266.13931	3.6
267.11249	2.4
268.12079	1.1
269.12671	1.5
271.14410	1.1
275.11758	0.6
276.08707	0.5
277.09702	6.4
277.12897	0.8
278.10422	1.9
279.11237	38.1
280.11789	3.2
281.12695	2.6
282.13535	1.6
283.10776	1.2
283.14279	2.1
284.11511	0.7
285.12234	1.0
287.13928	2.8
291.11224	9.1
292.11996	2.5
293.12784	7.1
294.10226	0.7
294.13486	2.3
295.10779	9.3
295.14038	1.1
296.11414	2.3
297.12286	15.6
298.13013	1.8
299.13824	0.7
305.14886	0.6
309.12289	55.1
310.13040	23.1
310.16733	0.6
311.13843	24.1
312.14612	3.8
313.11752	2.3
313.15408	1.8
319.10788	8.6
320.11322	1.1
321.12198	1.9
323.16144	2.3
324.10986	1.4
325.11868	1.4
331.12860	0.6
337.11777	100.0
338.12518	34.0
339.13348	15.2
340.13919	1.5
345.14429	1.9
355.12946	1.0
356.13470	0.8
357.14301	0.9
369.14407	21.5
370.15094	5.8
371.15982	10.0
372.16638	0.9
398.15106	0.6
399.16064	0.7
400.16840	2.5
401.13510	3.3
415.14752	0.5
416.15753	0.9
417.16690	0.6
418.17914	0.7
432.19034	0.8
434.16968	1.0
450.20352	1.5
452.21750	18.1
453.21970	1.4
458.17065	2.7
459.17764	1.2
475.17047	1.5
476.18481	2.3
478.19714	28.0
479.20148	2.3
494.19028	2.6
495.19748	0.6
496.20642	7.6
497.21133	0.7
499.16876	0.9
510.22330	63.4
511.22672	4.9
526.21307	0.6
575.25049	1.6
591.27594	0.7
599.24969	5.2
607.27850	1.4
614.26935	4.4
615.25806	0.7
617.26044	6.4
622.24158	0.7
631.27319	2.2
635.27039	23.7
636.26770	2.3
640.24921	22.2
641.25311	2.2
649.28076	0.6
667.29712	14.3
668.30017	1.2
672.27551	15.2
673.27655	1.9
761.29590	0.9
779.31671	0.8
797.31610	3.0
829.35083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82990	1.0
63.29852	1.0
63.63234	1.1
69.03397	1.3
69.07053	3.3
71.04288	2.4
76.33738	1.1
81.03400	2.6
94.06562	3.2
97.02853	1.2
106.06534	4.3
108.08101	11.8
109.02867	4.6
120.08103	2.2
122.06028	13.8
123.04424	1.6
127.03933	1.1
134.06010	2.4
136.06647	1.2
136.07559	6.9
138.05507	1.7
140.07039	18.4
146.05963	6.3
146.09579	1.5
148.07532	16.3
150.09142	3.5
152.07057	3.2
162.05464	1.6
164.07039	12.4
166.08623	13.4
172.03894	7.4
174.05489	7.9
176.07043	5.6
176.68796	1.3
190.04965	3.7
191.05794	1.3
192.06541	2.3
204.06537	9.8
206.08031	2.7
208.09705	4.1
209.10638	1.5
210.11516	3.3
211.12296	4.2
222.11380	1.8
223.12238	6.3
224.13080	2.5
225.10139	3.2
225.13785	3.3
227.11700	3.9
235.08624	3.4
235.12312	3.0
237.10214	10.9
237.13843	4.3
238.10963	6.4
239.11734	20.7
239.15353	1.8
240.12459	4.0
241.13228	2.9
248.09384	5.7
249.10205	11.9
249.13911	1.6
250.11002	12.8
251.09146	2.0
251.11772	40.9
252.12477	10.6
253.13310	27.9
254.13960	2.9
261.12347	1.3
262.10956	1.8
263.11755	46.4
264.08957	2.7
264.12476	10.4
265.09750	13.5
265.13324	65.7
266.10480	3.2
266.14069	11.6
267.11371	6.8
267.14841	5.3
268.11871	3.1
269.12790	4.1
271.14249	1.3
274.10736	3.2
275.11771	2.9
277.09720	13.3
277.13309	3.9
278.10471	11.0
279.11255	79.8
280.11902	11.0
281.12796	10.7
282.13458	2.8
283.10828	1.4
283.14243	2.3
285.12238	3.3
287.13925	6.2
290.10364	1.3
291.11279	22.0
292.11932	11.1
293.12808	30.5
294.13528	5.7
295.10764	14.9
295.14328	5.0
296.11310	3.2
297.12317	16.6
298.12900	3.2
299.13782	3.3
308.11240	1.4
309.12308	45.6
310.12903	29.9
311.13840	51.1
312.14572	7.0
313.11795	5.2
313.15411	8.9
319.10757	18.5
320.11185	2.2
321.12259	11.4
323.13782	2.4
325.11945	1.6
328.14050	6.5
329.15161	1.7
335.13910	1.6
337.11777	60.0
338.12506	17.8
339.13345	18.1
340.13812	3.0
341.14957	3.1
345.14514	3.8
351.13318	9.8
352.14114	2.9
353.14813	8.5
354.15778	1.6
355.12796	1.4
357.14441	2.1
358.15460	1.9
365.15201	1.3
369.14435	16.3
370.15131	4.9
371.16013	6.2
374.14908	1.2
379.12683	5.7
381.14264	5.9
383.15994	6.0
384.13010	1.6
393.14291	2.1
395.16010	3.8
396.16452	1.8
398.14859	2.3
399.15683	4.7
400.16345	4.6
407.15970	2.3
409.13397	1.5
411.15475	9.8
412.16284	3.2
413.16971	5.5
416.15875	1.8
417.14859	2.6
419.16028	4.4
423.15436	2.1
425.17181	1.6
431.18243	2.5
432.18719	1.8
435.15625	1.9
437.16983	7.1
438.17639	2.5
439.14713	9.8
440.15717	4.7
441.16519	5.8
442.17151	1.7
443.18134	3.1
444.18399	1.8
445.13919	3.8
446.14346	1.6
447.15512	2.2
452.21716	16.5
453.16403	11.8
454.17230	4.8
455.18091	27.6
456.12277	1.3
456.18805	6.8
458.16571	1.8
459.17517	3.7
463.15076	5.7
464.16095	1.9
467.20267	2.4
471.17694	18.3
472.18466	8.1
473.19266	10.5
476.17624	1.6
478.19739	18.0
479.19800	1.9
481.16040	32.9
482.16840	14.0
483.17722	7.8
496.20511	4.3
499.17084	59.9
500.17856	16.2
501.18460	9.8
510.22339	45.4
511.22580	3.9
513.18842	9.2
514.18817	2.4
515.19849	2.0
531.19702	24.5
532.20282	3.2
533.21155	5.2
552.22675	1.7
560.23743	5.7
575.25336	1.6
578.24341	3.1
586.21759	7.5
591.27179	1.5
596.26013	22.0
599.24829	3.0
602.21191	1.4
604.22668	4.5
614.27191	11.3
617.25690	6.3
618.24225	6.3
620.21680	2.3
622.23840	44.6
623.24072	3.6
635.26959	16.7
636.25616	6.0
638.23517	2.4
640.24933	100.0
641.25385	9.0
654.26453	29.7
655.26855	2.6
667.29944	8.9
672.27509	78.7
673.28137	7.0
707.26556	1.5
725.27869	2.0
735.32294	1.5
743.29272	7.8
761.30011	7.2
775.31519	2.6
779.31177	18.8
780.31042	1.9
793.32117	2.0
797.31915	4.7
811.33936	7.4
829.35791	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	827.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.7
65.03934	0.5
67.05495	10.6
68.05820	0.7
69.03416	2.9
69.07056	3.7
71.04990	1.1
71.08630	1.8
73.02899	3.4
79.05481	5.5
81.03405	2.6
81.07044	7.1
83.04979	0.6
83.08604	1.8
85.02892	5.8
85.06549	0.6
85.10194	1.1
86.09695	0.7
89.05980	0.5
91.03945	3.1
91.05467	5.9
91.20364	0.5
93.07037	6.4
95.01331	0.6
95.04960	1.8
95.08595	4.7
96.08961	0.6
97.02874	3.4
97.06527	0.6
98.21455	1.5
99.04459	0.6
101.02374	1.6
105.07010	4.7
107.04938	1.2
107.08578	3.8
109.02907	0.7
109.06538	0.8
109.10136	6.7
110.10477	2.1
112.33750	0.5
115.03931	0.7
117.07017	1.8
119.08588	3.9
119.37644	0.5
121.10155	2.3
121.69190	0.5
123.08047	0.6
123.11696	0.8
127.03915	1.7
129.05508	0.6
131.08585	2.0
133.10126	2.9
135.11707	1.9
143.08586	1.0
145.10141	1.4
147.11682	1.7
149.09616	0.5
149.13249	0.6
159.11702	1.1
163.06050	0.7
163.11171	0.6
171.11687	0.8
171.13141	0.5
173.11771	1.2
173.13158	0.6
174.12038	0.5
177.12791	0.6
178.59969	0.5
179.14272	0.6
184.07384	2.4
185.04291	1.3
203.05360	0.7
206.28259	0.5
229.14305	7.1
230.14702	2.6
230.34964	0.6
241.06691	0.6
243.08360	4.6
275.20169	0.8
301.09006	1.7
313.27249	4.3
314.27664	4.1
315.10526	0.7
315.19308	5.9
371.21634	1.2
385.18195	0.7
397.18277	0.6
457.59732	0.6
465.21173	0.9
467.37280	3.0
468.37482	6.1
495.22412	0.7
533.27124	10.0
533.34766	0.8
534.27399	1.1
535.28638	7.6
605.29321	1.1
827.49048	100.0
828.49121	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	829.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58492	1.0
69.03419	1.5
69.07073	2.7
71.57434	1.8
71.83619	1.0
81.03403	1.4
85.02902	1.9
88.05384	1.2
92.28913	1.1
94.06572	2.7
106.06541	3.1
108.08094	12.6
120.04438	1.6
120.08131	1.1
122.06023	11.7
134.05995	1.6
136.07570	5.1
140.07042	18.7
144.08081	1.5
146.05997	6.0
148.07582	8.6
150.09070	2.8
152.07053	2.9
162.09085	1.7
162.20428	1.1
164.07036	7.2
166.08583	7.5
172.03909	6.6
174.05492	7.4
176.07080	3.8
178.08649	1.2
190.05042	2.8
192.06540	1.3
204.06573	11.1
206.08124	2.3
208.09573	3.3
210.11508	3.5
211.12314	1.5
220.09897	1.4
222.11420	2.6
223.12283	4.8
224.13014	1.4
225.10129	1.9
225.13773	3.3
227.11794	4.3
232.09985	1.4
235.08711	2.9
235.12248	2.3
236.09528	2.3
236.12946	2.3
237.10220	10.0
237.13879	3.9
238.10962	4.6
239.11778	16.6
240.12526	3.9
241.13348	3.4
243.11276	2.2
247.12486	1.3
248.09247	2.4
249.10231	11.1
249.14084	1.3
250.10905	10.1
251.11772	36.5
251.14265	2.2
252.12631	8.0
253.09518	1.6
253.13367	28.3
254.13950	3.6
255.11459	1.2
255.14836	1.7
261.12466	2.5
262.10916	1.5
263.11758	37.2
264.09058	2.4
264.12457	7.6
265.09753	10.7
265.13361	44.2
265.16205	2.2
266.10324	2.4
266.14026	9.5
267.11395	6.4
267.14832	5.5
268.11978	2.6
269.12778	2.4
271.14017	1.7
275.11844	2.1
277.09726	10.8
277.13287	3.9
278.10507	9.1
279.11237	62.4
280.11884	8.9
281.12854	8.7
282.13586	1.9
283.10797	1.3
283.14417	1.8
285.12335	2.0
287.13947	5.7
291.11194	17.9
292.11981	8.2
293.12805	25.6
294.13580	5.6
295.10727	12.9
295.14377	3.9
296.11661	2.6
297.12329	13.9
298.12979	2.8
299.13950	4.4
309.12292	28.4
310.12903	20.4
311.13840	43.4
312.14435	4.9
313.11771	3.7
313.15436	9.8
319.10703	14.7
320.11526	2.1
321.12378	9.9
323.13742	1.6
325.15454	1.5
328.13971	7.9
337.11792	29.8
337.15634	2.3
338.12540	10.3
339.13327	13.2
340.13736	1.3
341.15152	1.9
345.14478	3.3
351.13422	10.6
352.14087	2.7
353.14871	8.8
355.16788	1.4
357.14819	2.9
358.15582	1.5
365.15106	1.7
368.13672	1.3
369.14450	10.4
370.15103	4.1
371.15982	4.7
379.12869	3.3
381.14365	3.8
383.15918	4.7
395.16125	5.3
399.15564	2.8
400.16580	4.1
401.13321	1.7
411.15378	10.6
412.16135	4.0
413.16919	8.4
417.14761	1.4
423.15509	2.5
425.17038	1.6
427.18890	1.8
431.18167	1.6
432.93066	1.3
437.17441	6.0
438.17743	1.9
439.14902	10.7
440.15640	4.1
441.16440	5.7
442.17285	1.6
452.21783	7.6
453.16507	8.4
454.17261	3.4
455.18076	21.3
456.18719	4.8
459.17395	3.6
460.18564	2.1
463.14917	4.2
464.15582	2.4
467.19974	1.9
471.17673	18.2
472.18509	8.3
473.19165	9.5
474.19778	1.7
478.19907	8.4
481.15988	31.4
482.16772	15.8
483.17487	7.1
496.20883	2.6
499.17108	58.0
500.17844	12.8
501.18530	9.0
510.22369	20.6
513.18701	8.4
514.18732	1.6
515.20074	2.6
531.19727	26.8
532.20508	3.1
533.20789	6.2
552.23199	2.5
560.23071	2.4
578.24530	3.4
589.52246	1.5
596.25934	21.7
597.26111	2.2
599.25031	2.6
604.22498	5.3
614.26788	11.7
617.25275	4.9
620.22467	2.5
622.23901	48.5
623.24146	3.0
635.27234	7.9
636.26343	2.1
638.23718	2.0
640.24933	100.0
641.24847	7.1
654.26526	31.3
655.26520	1.6
656.91351	1.3
667.29541	5.1
672.27551	95.6
673.27997	6.6
725.27789	1.6
743.29382	8.1
761.30127	10.5
769.32574	1.6
775.31293	2.4
779.31415	19.8
780.31110	3.0
793.33154	2.4
797.31946	5.3
811.33929	7.3
829.34467	3.5
840.31079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.5
67.05489	1.0
69.03427	2.8
69.07060	0.6
71.04213	1.6
71.04965	0.7
79.05451	1.5
81.03397	3.4
81.07037	1.2
83.04967	0.8
85.02902	3.8
87.04514	0.7
91.05490	0.9
93.07027	0.8
94.06573	1.0
95.04979	0.8
96.08084	0.7
97.02869	2.5
99.04505	0.9
100.11256	0.5
103.05467	0.7
104.18182	0.6
105.07008	0.7
106.06535	2.0
108.08101	14.5
108.08802	0.9
109.02860	2.3
110.06012	0.8
111.04406	0.9
114.09132	5.6
115.03936	0.8
115.09547	0.6
116.07224	0.6
117.06995	0.6
118.06534	0.6
119.04881	0.9
120.04479	0.7
120.08109	1.0
121.06512	0.6
122.06040	2.9
122.09671	1.1
123.04440	0.6
124.07569	13.5
127.03899	1.6
133.10156	0.5
134.05977	1.4
134.06923	0.6
135.32974	0.6
136.06172	2.7
136.07545	1.9
137.05998	1.5
138.09129	0.6
139.03915	1.0
140.07082	1.0
144.04544	0.7
144.08051	0.9
145.02864	1.5
146.05971	3.7
147.04399	1.8
148.07547	8.4
149.05995	0.8
150.09149	3.3
152.07062	2.5
160.07593	2.0
162.09119	1.3
163.03944	1.1
163.07539	0.6
164.07059	2.3
165.82277	0.6
166.08617	4.2
167.07097	1.4
172.03931	4.3
174.05484	3.8
174.07277	0.5
174.08960	0.7
175.06050	1.0
176.07040	3.6
177.05482	1.7
181.04991	1.2
181.08778	0.6
186.09163	0.7
190.04948	0.8
191.05580	1.0
191.07121	0.8
192.06429	0.7
192.10231	0.9
197.10799	0.8
202.08630	0.8
204.06522	5.3
206.08139	2.3
207.06654	0.8
208.09676	1.2
209.08331	1.2
209.10631	1.1
210.08443	0.7
210.11360	2.9
211.08746	0.8
211.12263	5.0
212.13087	1.8
213.13713	0.8
218.08095	0.9
220.09932	0.7
221.10748	1.0
222.11491	1.8
223.12227	4.1
224.13074	1.9
225.10280	2.0
225.13879	2.0
227.11717	2.7
235.08588	3.3
235.12187	3.4
236.09488	2.2
236.13020	1.2
237.10184	8.0
237.13831	3.7
238.10873	3.8
238.14491	0.8
239.11766	10.8
240.12411	3.3
241.13292	1.3
243.11269	1.0
245.12816	0.9
247.08569	0.6
247.12349	1.4
248.09280	3.0
249.10168	8.9
249.13898	0.9
250.10909	7.6
251.11769	38.0
252.09868	1.1
252.12495	14.4
252.14981	1.1
253.13309	23.8
254.13994	2.0
261.10291	0.8
262.11050	1.6
263.08719	1.5
263.11725	22.1
264.08914	1.9
264.12515	5.3
265.09805	9.4
265.13376	32.4
266.10443	3.2
266.14084	7.2
267.11368	4.8
267.14771	4.6
268.11920	1.7
268.15540	0.7
269.12924	4.5
271.14474	2.0
274.10889	1.9
275.11835	1.7
276.12610	0.8
277.09744	8.7
277.13382	3.1
278.10382	6.1
279.11237	54.0
280.11929	8.2
281.12793	11.7
282.13510	2.1
283.11069	0.7
283.14383	1.8
284.11642	0.7
285.12372	1.5
287.14093	1.2
291.11209	11.5
291.14240	0.9
292.11823	5.1
293.09512	1.3
293.12787	17.7
294.13474	5.7
295.10782	5.7
295.14395	3.5
296.11411	1.8
296.15009	0.6
297.12314	10.8
298.12878	1.4
299.13800	3.1
303.10898	0.7
305.09067	0.7
305.12686	1.0
307.10840	1.1
309.12296	9.6
309.15588	1.0
310.12860	9.6
311.13821	29.3
312.14447	4.3
313.15350	4.7
315.13412	1.7
319.10757	9.3
319.14310	0.8
320.11484	2.5
321.12259	9.0
322.13004	1.3
323.13870	1.9
324.14789	1.4
325.11591	0.7
325.15421	0.8
329.15305	1.0
335.13800	1.0
336.10910	0.8
337.11761	6.2
338.12567	1.7
339.13400	7.6
341.15082	1.6
342.15518	6.4
344.17526	0.7
351.13297	2.9
352.14310	1.6
353.14960	2.4
356.13809	0.7
358.15540	1.4
360.17062	1.0
369.14493	3.2
370.15155	1.4
371.16074	2.4
372.17191	1.4
374.14890	0.9
378.21600	1.1
379.12671	1.3
379.16971	0.8
380.13684	0.7
381.14407	1.9
384.13092	0.9
386.14819	0.8
393.14313	1.0
395.16003	3.3
397.17920	1.2
398.14764	1.2
399.15631	1.7
400.16476	2.9
407.16095	1.0
409.17773	0.8
411.15329	1.7
412.16260	0.9
413.17154	2.5
415.19083	0.8
416.15924	1.6
417.14511	1.3
418.16922	0.7
419.16183	2.1
421.13684	1.0
423.15610	1.4
425.16998	2.1
431.18423	1.0
434.16879	0.9
435.15533	3.8
436.16702	1.3
436.22202	4.5
437.16998	5.4
438.17749	2.3
439.15073	2.2
440.16177	1.7
441.16534	3.8
442.17001	0.8
445.14087	1.3
445.20078	0.9
446.15012	0.9
453.16373	7.4
454.17288	4.5
455.18051	5.9
456.18747	1.0
463.14926	4.7
463.20740	1.0
464.15793	2.1
465.16360	1.7
467.19849	2.3
469.19781	1.2
471.17630	1.8
473.19208	1.9
481.15988	20.9
482.16711	10.8
483.17239	4.3
485.19177	6.0
486.19940	7.1
487.20752	4.3
495.17480	3.3
496.18655	1.1
497.19031	0.9
499.23053	1.3
506.19360	0.9
513.18610	43.8
514.19250	12.0
515.20209	5.5
531.19330	1.1
544.24500	1.2
545.21191	14.7
546.21777	2.5
547.23108	3.7
559.26117	1.0
562.25360	1.9
570.22333	0.9
580.26306	3.1
588.23352	2.6
601.26520	1.9
602.23248	2.3
606.24414	14.3
612.29114	12.2
613.29523	0.7
615.24463	0.9
619.27771	0.9
620.25885	5.2
634.23187	0.9
638.26978	100.0
639.27423	9.2
652.26624	1.0
661.27618	0.7
668.24591	1.7
670.29608	52.3
671.30182	4.3
686.25146	1.1
691.27356	0.8
709.28088	1.4
727.29547	8.5
735.31970	1.0
745.30835	3.8
746.30670	0.9
759.32397	5.8
763.31622	7.2
764.31714	0.9
777.32996	1.8
791.33453	0.9
795.34338	6.7
796.34021	0.7
827.35767	2.0
827.51062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.333
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.5
66.32758	1.3
67.05488	1.6
68.32317	1.2
69.03427	2.9
69.07055	5.0
69.85266	7.2
72.08150	1.3
72.69942	1.2
79.73488	1.3
79.96992	1.5
81.03401	2.8
85.02887	3.3
88.34228	1.7
94.06561	8.6
94.07042	1.4
95.04980	2.3
98.21416	2.9
108.08092	6.2
109.02846	2.7
110.05945	1.7
112.07563	1.8
118.06550	2.7
120.08044	1.4
122.06017	32.5
123.04457	1.5
124.07577	2.4
127.03889	3.8
134.05991	2.6
136.07628	1.7
137.05975	2.1
140.07048	46.9
144.04431	2.6
146.05998	21.1
146.09529	1.5
147.06754	1.9
148.07544	10.4
160.07578	2.9
162.05502	4.1
162.42561	1.3
163.06201	1.5
164.07019	2.9
172.03911	21.6
173.04681	3.3
174.05504	26.6
176.07063	15.1
177.05421	1.8
178.08582	1.5
187.12294	2.6
188.07068	1.4
190.04968	10.1
191.05756	2.6
192.06543	5.6
197.07138	1.8
197.10651	2.6
199.08641	3.8
204.06531	37.9
206.08136	10.3
211.08633	3.5
211.12286	1.9
212.09399	3.0
213.10242	6.1
214.10995	3.7
215.11729	8.3
216.10126	2.4
223.08719	1.5
225.10219	10.5
226.08603	2.6
226.10834	2.4
227.08066	2.7
227.11807	3.1
235.08606	1.9
237.10173	6.1
238.11046	1.8
239.11771	6.3
240.12453	2.2
241.09692	5.3
243.11259	53.1
249.10265	8.1
249.77921	1.3
250.11069	2.6
251.11839	8.7
252.12469	1.8
253.09737	3.5
253.13344	3.2
255.11275	3.9
256.11935	1.6
257.12830	4.7
261.09998	2.2
261.12454	3.4
262.10699	1.7
263.08078	3.9
263.11761	21.9
264.09015	3.7
264.12347	2.9
265.09805	10.3
265.13287	5.6
266.10440	4.8
266.14114	1.6
267.11282	6.2
269.09384	3.6
269.12576	1.8
271.10788	4.1
273.12396	1.7
277.09628	7.7
278.10361	3.2
279.11212	21.0
280.12042	4.5
281.09164	2.9
281.12933	3.0
283.10718	7.8
285.12280	23.1
287.10278	10.9
287.13953	6.6
291.11212	5.9
292.11908	2.5
293.12756	2.7
295.10706	8.6
297.12341	3.0
298.13074	2.6
299.13962	3.1
300.12137	1.6
301.11874	1.8
302.12808	3.2
303.13419	9.2
304.14395	2.9
307.10764	3.7
309.12286	11.0
310.12753	2.6
311.10629	2.1
311.13605	6.7
313.11749	19.2
313.15176	2.2
314.12936	2.3
314.16541	2.3
315.13596	4.1
316.10788	3.4
316.14407	4.6
317.15207	3.3
318.15979	5.9
319.10736	2.5
319.16769	3.1
322.13202	1.6
323.10672	1.6
323.13983	12.0
324.14844	2.0
325.11594	1.8
326.12823	1.7
327.13605	3.3
328.14447	2.8
329.11716	3.0
330.12408	4.9
330.16107	3.2
331.13162	9.4
331.16739	2.8
332.17606	3.3
336.10947	6.3
337.11731	6.6
338.12451	2.9
339.13403	3.3
340.14526	3.3
342.12250	3.6
342.16208	2.4
343.13376	2.9
344.13831	9.6
345.14459	38.5
346.15353	12.0
347.16241	5.3
348.17050	3.3
351.13239	3.4
355.13202	5.7
356.10010	2.2
356.13901	5.6
357.10928	3.1
357.14752	3.7
358.11829	4.1
358.15793	7.0
359.16284	3.9
360.16965	13.4
363.15332	2.2
367.12906	5.6
368.13770	12.0
369.14557	14.5
370.11740	5.5
370.15411	6.3
371.12274	7.6
372.13315	15.1
372.17181	3.2
373.13910	8.1
374.14795	13.4
375.15631	1.9
376.16492	3.3
384.13040	3.6
384.17535	2.0
385.13934	9.2
386.14923	28.8
386.19446	2.9
387.15674	25.6
388.16541	20.8
389.17221	1.8
390.18091	2.1
396.13293	3.5
398.14859	4.9
399.15701	2.5
400.12534	4.2
400.16672	4.2
401.13257	3.1
402.14392	5.8
402.18747	2.7
404.16061	3.7
406.17670	3.4
409.13614	2.1
410.14694	3.9
411.15460	17.8
412.16290	4.5
414.14352	24.0
415.15192	37.9
416.15970	59.1
416.21536	3.0
417.16299	5.4
418.17505	3.7
427.15155	2.0
428.15750	8.8
429.16580	26.3
430.17618	8.3
431.14801	1.5
432.15088	3.0
433.16016	2.5
434.16940	4.9
438.14261	2.9
439.15173	2.9
446.17078	6.2
447.17654	23.4
448.18463	6.2
456.15259	7.6
457.15933	5.2
458.17017	3.4
460.18539	3.2
463.15872	1.7
465.18515	6.0
465.96027	1.7
470.16730	2.0
471.17575	1.7
474.16235	9.2
475.17136	5.5
476.18118	6.2
478.19485	2.0
488.17935	3.4
497.15250	1.9
498.16367	3.0
499.16693	1.9
504.20999	1.7
506.18970	2.0
508.20673	9.4
510.22400	9.9
513.18958	1.9
516.17719	4.8
520.21082	2.5
529.17822	2.6
530.19446	2.6
531.19452	2.0
532.20758	3.8
536.19116	1.8
548.20062	3.9
550.21631	4.4
555.21814	3.1
556.20770	3.2
558.18097	2.5
574.21680	3.0
576.19830	4.5
577.20093	2.0
582.18573	3.4
586.21771	2.1
590.20636	3.2
591.21936	2.1
592.22577	2.7
597.22607	4.5
600.19409	6.5
601.20471	3.3
602.20831	2.0
615.24646	16.1
616.23334	2.9
618.20685	17.4
619.21442	8.5
620.22046	5.6
629.26178	2.6
631.27179	3.0
633.24683	1.8
634.24017	1.5
636.21765	19.0
637.22437	7.5
638.22906	5.3
647.26935	6.8
650.23279	2.9
652.24854	3.0
654.26276	3.7
657.25562	8.6
668.25067	1.9
670.26215	2.9
689.28302	3.9
697.28510	5.5
705.25592	2.6
715.28571	4.1
717.27838	2.0
723.26727	17.4
724.26068	2.2
733.30231	6.0
737.28107	2.8
741.27869	21.1
755.28320	2.2
759.28656	100.0
760.28577	8.7
773.29547	4.5
777.15375	2.8
777.29626	58.3
778.29468	4.7
791.31378	20.5
809.32568	11.4
827.35876	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	827.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39175	1.2
67.05494	2.7
69.03407	3.2
69.07063	9.1
70.96781	2.4
70.97112	1.9
81.03403	4.4
85.02874	2.3
85.37925	1.3
86.08597	1.2
93.05781	1.4
94.06553	8.3
97.02865	1.5
100.82283	1.2
103.30836	1.1
108.08098	4.9
108.40973	1.3
109.02869	5.2
112.07577	2.8
118.06491	1.6
119.16441	1.1
119.86711	1.1
120.04416	1.2
120.08100	1.3
121.05210	1.3
122.06007	32.9
127.03890	2.5
129.72455	1.3
134.05988	2.8
136.07555	1.8
140.07047	39.7
144.04424	3.9
146.05986	19.0
148.07533	9.4
152.07080	2.0
160.07532	3.5
162.05513	2.6
165.97444	1.2
166.08603	1.3
172.03911	25.7
173.04700	2.0
174.05486	27.9
176.07039	14.8
177.05482	4.5
178.05916	1.5
183.06601	1.3
187.12337	1.8
188.07094	1.6
190.04971	8.1
191.05797	3.3
192.06520	3.9
197.10750	2.6
198.09254	1.3
199.08607	4.1
200.09398	1.7
201.10175	2.6
204.06531	39.3
204.08336	2.6
206.08073	10.2
211.08656	3.5
212.09244	1.9
213.10226	6.2
214.10989	2.5
215.11728	5.9
223.12268	2.4
224.09360	1.6
225.10208	8.8
227.11797	3.1
235.08701	1.4
236.09213	1.6
237.10236	6.5
238.10944	3.3
239.08099	1.5
239.11752	5.6
240.12508	1.3
241.09666	2.7
243.11244	50.2
248.09340	2.0
249.10161	6.2
250.10931	1.6
251.11847	6.9
252.12436	1.3
253.09729	3.6
253.13269	3.6
254.10403	1.6
255.11285	4.3
256.12033	2.6
257.12772	2.7
259.10757	1.6
261.12354	3.4
263.08112	3.7
263.11749	14.8
264.09030	2.1
264.12341	2.2
265.09702	9.8
265.13174	3.3
266.10489	4.1
267.11340	4.8
268.09619	1.8
269.09183	6.8
269.12625	1.7
271.10706	5.4
273.12326	2.9
274.13315	2.2
277.09683	6.6
278.10507	2.5
279.11102	11.9
280.12015	4.0
281.09070	2.0
283.10730	9.3
284.11472	2.5
285.12250	22.5
287.10275	9.9
287.13870	8.1
291.11188	5.5
291.14236	1.6
292.11865	2.3
295.10822	5.5
297.12317	1.7
298.13101	2.2
299.13812	2.1
301.11798	1.5
302.12976	2.9
303.13364	12.2
304.14417	3.0
305.09259	1.8
305.15317	1.7
307.10733	2.2
309.12369	6.9
311.10315	2.5
311.13834	4.2
313.11743	18.5
313.15262	1.8
314.16592	1.6
315.13583	2.7
316.10852	1.7
316.14474	4.7
317.15234	3.0
318.15881	5.2
319.11053	2.0
319.16666	1.7
323.10376	2.0
323.13721	6.6
325.11829	4.1
327.13748	2.0
328.11026	2.7
328.14548	2.8
329.11761	3.9
329.15567	2.1
330.12436	5.7
330.15958	2.0
331.12912	10.2
332.13885	2.4
332.17407	2.5
335.31494	1.4
336.10904	2.0
337.11795	4.0
339.13297	1.8
340.14490	1.7
341.15454	1.7
342.12396	2.4
342.16321	2.1
343.13345	5.5
344.13876	9.1
344.17575	1.8
345.14453	37.7
346.15512	12.4
347.16202	6.2
348.17099	1.6
351.13431	1.7
353.11298	2.0
354.12448	2.3
355.12903	3.2
356.13998	3.5
357.14603	3.6
358.11697	3.0
358.15466	7.8
359.12366	2.1
359.16428	3.1
360.17047	12.9
363.15561	1.8
367.13217	1.9
368.13974	6.7
369.14716	10.3
370.11761	3.9
370.15396	5.2
371.12253	6.9
372.13217	17.6
372.16864	1.9
373.14017	9.4
373.18060	1.2
374.14838	14.3
374.18753	2.3
376.16501	3.9
379.13065	1.7
381.14664	2.1
382.15329	2.7
384.13242	4.0
384.17035	3.7
385.13800	6.0
386.14926	30.7
386.19437	2.2
387.15805	23.1
388.16571	18.2
389.17078	1.7
390.18060	1.8
393.14398	2.5
396.13547	3.0
397.13651	2.8
398.14917	4.2
399.15753	2.2
400.12131	2.5
400.16510	4.1
401.13306	2.9
401.17813	1.6
402.14279	5.5
402.18326	3.9
404.15988	3.0
406.17682	4.0
408.19406	2.4
410.14661	3.0
411.15454	20.6
412.16357	5.1
414.14288	23.0
415.15228	34.1
416.15970	49.3
417.16263	5.8
418.17648	3.0
427.14990	1.7
428.15915	7.1
429.16516	25.5
430.17770	7.7
432.14752	2.2
433.16321	1.7
434.16858	5.4
438.14032	3.0
445.16336	1.8
446.17270	8.8
447.17578	20.0
448.18387	5.6
453.16275	1.8
456.15591	8.6
457.15903	2.9
458.16922	2.2
460.18558	2.9
462.20514	1.9
465.18405	5.9
470.16940	2.0
471.17307	2.1
472.18771	1.5
474.16116	8.4
475.17017	4.8
476.18030	4.3
488.18320	2.7
490.19235	1.9
500.17752	1.8
502.19534	1.7
508.20572	4.7
510.22058	5.0
513.18219	2.5
514.19476	4.2
516.17438	4.5
530.19250	2.0
531.19507	4.1
532.20557	3.6
542.18933	2.0
548.19965	2.3
549.21124	2.1
550.21753	3.4
552.22772	1.9
554.19916	2.0
555.21838	2.4
556.20551	1.7
557.20996	2.1
558.18488	1.6
560.19678	2.0
566.19202	2.2
572.20013	1.7
573.20776	1.7
574.21674	3.9
576.19592	6.6
577.20416	3.1
578.20886	1.8
582.18433	5.4
590.21338	3.6
592.22729	3.4
595.21472	1.6
597.22797	3.3
600.19580	4.8
602.20905	1.8
608.22272	3.1
614.21869	1.4
615.24261	17.3
616.23499	3.1
618.20605	18.3
619.21558	7.3
620.21948	4.6
636.21625	16.8
637.22504	8.3
638.23059	3.7
647.26489	2.9
650.23730	1.8
651.24457	1.6
652.24231	1.7
654.25885	3.6
657.25336	7.5
668.24591	2.4
670.25763	2.2
689.27942	3.2
697.28802	6.4
705.24945	3.5
715.28766	3.1
717.27899	1.5
723.26447	28.4
724.26508	2.5
733.30206	5.6
737.27655	1.8
741.27423	24.0
742.27612	2.2
755.28577	7.4
759.28625	100.0
760.29016	7.1
773.29987	4.1
777.29663	57.6
778.29382	4.6
791.31238	19.9
792.31055	2.3
809.32037	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	826.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.4
61.02604	0.5
61.02916	9.3
65.03949	0.4
67.05494	45.5
68.05825	0.5
69.03423	1.6
69.07056	4.1
71.04980	2.6
71.08620	13.5
73.02902	2.8
75.04450	0.3
79.05480	1.4
81.03410	0.7
81.07046	12.2
83.08606	7.5
83.09066	0.6
85.02893	11.4
85.06540	2.0
85.10171	8.3
85.10667	0.7
89.06013	0.8
91.03944	7.5
91.05470	2.8
93.07036	2.6
95.08595	12.5
97.02877	5.8
97.03448	0.4
97.10161	3.0
99.04468	0.8
99.08097	0.6
99.11732	0.6
101.05971	0.4
103.07552	0.6
107.08595	1.3
109.10140	55.8
110.10500	0.8
111.08067	2.1
111.11731	0.7
115.03888	0.5
119.08575	3.7
121.10163	0.4
123.11703	2.1
125.09654	0.6
125.13263	0.4
127.03891	2.4
137.09587	2.4
137.13231	1.1
145.04939	3.3
149.21176	0.3
155.10641	3.4
163.06006	4.6
173.11711	15.6
184.07428	0.4
221.22568	0.3
229.14316	100.0
230.14677	2.2
230.17926	0.3
239.23651	1.9
257.24698	1.2
265.43356	0.3
276.15878	0.3
313.27313	73.1
314.27628	2.3
373.18610	0.6
467.37271	59.8
468.37616	3.7
477.48505	0.3
573.58527	0.3
677.93378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	2.4
65.03922	3.8
67.05493	92.0
68.05832	1.9
69.03418	7.4
69.07059	39.2
69.80228	8.8
71.04972	5.1
71.08607	3.8
73.02903	1.5
76.46833	1.1
79.05481	49.0
81.03413	9.1
81.07042	100.0
82.07372	2.2
83.04974	9.9
83.08158	1.9
83.08607	19.3
84.08157	1.3
85.02878	4.9
85.06503	3.8
85.10154	1.8
86.09668	1.4
91.03921	2.1
91.05466	36.4
92.05743	1.1
93.07029	53.5
94.07351	2.4
94.63200	1.3
95.04951	9.7
95.08592	56.1
96.08913	1.1
97.02878	3.9
97.06512	12.2
97.10154	8.9
99.08067	4.5
105.07008	31.0
107.04942	5.5
107.07898	2.0
107.08579	27.8
109.02827	2.1
109.06487	4.2
109.10145	23.1
111.04382	1.2
111.08039	4.5
117.06985	10.2
119.08569	20.7
121.06464	3.5
121.10130	21.8
123.08051	2.2
123.11675	10.2
125.09598	4.4
127.03896	2.0
129.05496	1.5
129.06964	3.8
130.07745	1.4
130.88690	1.0
131.08548	15.9
131.38675	1.0
133.09166	1.5
133.10120	22.0
135.08025	4.0
135.11674	14.2
136.11998	1.2
137.09610	3.4
137.13210	3.0
141.06912	1.6
143.08536	4.0
145.10132	12.4
147.08067	2.0
147.11644	10.7
149.09581	8.6
149.13203	9.9
151.11139	2.6
155.08539	1.7
157.10045	3.2
159.08054	1.4
159.11699	10.5
160.09737	2.8
161.09653	1.7
161.13222	4.6
163.11143	7.1
163.14749	2.4
165.12674	1.6
169.10095	2.1
171.11664	3.3
173.04486	2.2
173.13228	4.4
175.14789	2.8
177.12703	4.3
179.14267	2.0
184.07323	3.8
187.14890	1.3
195.13828	5.6
197.13188	1.7
199.14793	2.4
215.18037	1.2
227.12772	3.2
229.19516	1.5
231.90688	1.2
235.16840	1.3
239.17780	2.1
243.21138	1.4
245.22697	1.8
247.20398	2.3
251.16545	1.2
255.15871	10.0
257.18985	5.2
263.23639	4.9
267.15918	1.7
269.17419	33.9
269.20297	1.6
275.20044	22.9
291.19595	1.4
293.21014	5.7
294.21469	3.3
295.21436	1.6
300.13589	1.1
331.22693	1.3
333.24106	1.3
335.25668	4.3
336.26065	2.8
337.27304	96.0
338.27585	3.0
339.18179	1.3
339.28647	1.2
349.23672	19.3
367.24673	4.5
368.25281	1.7
413.21649	2.6
517.38788	19.4
529.38672	1.8
531.40375	78.5
532.40533	4.8
547.39716	1.4
571.43445	2.9
611.37183	2.2
611.46564	29.7
629.47443	14.7
704.82574	1.5
826.47968	1.3
827.49243	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	826.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.6
61.02917	9.4
65.03932	0.9
67.05493	53.4
68.05828	0.6
69.03418	2.1
69.07053	5.6
71.04989	3.0
71.08620	17.0
71.97659	0.3
73.02906	2.7
74.09704	0.3
75.04485	0.3
79.05460	1.3
81.03411	0.7
81.07042	15.1
83.04995	0.3
83.08606	11.1
85.02891	11.7
85.06541	1.8
85.10168	10.0
85.10672	0.5
86.09676	0.6
87.04455	0.5
89.05245	0.2
89.06001	0.8
91.03938	6.8
91.05454	3.5
91.21474	0.3
93.07012	2.7
95.04955	0.7
95.08592	15.8
96.04482	0.5
97.02875	5.9
97.06520	0.4
97.10153	3.3
99.04435	0.8
99.08064	0.6
99.11714	0.6
101.05980	0.4
103.03909	0.6
103.07571	0.7
105.07028	0.4
107.08572	1.5
109.02880	0.4
109.10138	58.9
110.10487	1.0
111.08074	2.7
111.11738	0.8
113.06001	0.3
115.03920	0.4
117.06977	0.4
117.09089	0.3
119.08553	4.5
121.10101	0.5
123.11679	2.6
125.00006	0.4
125.09618	0.6
125.13290	0.3
127.03887	3.4
131.08495	0.3
133.10083	0.3
137.09605	2.4
137.13226	1.4
145.04933	3.5
151.14804	0.5
155.10628	3.1
163.05994	4.3
173.11707	18.6
174.12057	0.5
179.17967	0.3
184.07297	2.6
221.22475	0.3
229.14314	83.9
230.14684	2.0
239.23657	2.1
257.24640	2.2
303.04193	0.3
313.27310	81.5
314.27658	2.5
373.18411	0.7
401.29120	0.3
467.37262	100.0
468.37592	5.2
478.10629	0.3
611.41046	0.6
827.48456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08139	0.7
61.02915	2.9
65.03935	3.2
67.05494	45.9
69.03413	2.2
69.07059	17.7
71.04990	2.9
71.08646	0.9
71.79505	1.0
73.06555	0.8
75.04469	0.7
79.05482	41.2
81.03414	1.9
81.07044	42.8
83.04977	2.4
83.08611	8.3
85.02892	3.2
85.06542	2.3
87.04467	0.6
91.03944	1.4
91.05466	43.4
93.07031	42.7
94.07336	1.2
95.04957	6.0
95.08595	36.7
97.02895	2.2
97.06512	3.5
97.10146	4.3
99.08073	1.3
103.05487	1.7
105.07017	43.6
107.04946	1.9
107.08575	23.0
109.06503	3.9
109.10138	14.7
111.08066	2.7
115.05450	1.7
115.07563	1.3
117.06996	20.2
119.04982	0.6
119.08567	33.5
121.10134	17.3
121.10950	1.3
123.08069	1.7
123.11665	3.8
125.09634	1.2
127.03918	1.3
128.06226	2.1
129.06978	15.4
130.07758	2.0
131.08554	28.5
133.10115	24.1
133.11133	1.4
135.08064	1.1
135.11682	9.9
135.12631	1.0
137.09616	1.4
137.13251	1.7
139.11127	0.9
141.06923	5.9
142.07785	2.2
143.08545	14.6
144.09358	0.9
145.06509	1.0
145.10100	22.7
146.08203	0.9
146.10667	0.7
147.08026	1.5
147.11667	15.7
149.09628	1.4
149.13240	5.8
151.11195	0.8
153.07004	1.5
154.07774	1.0
155.08527	10.8
156.09294	0.9
157.10103	15.1
158.10785	0.8
159.08060	1.0
159.11679	17.9
161.09708	0.8
161.13220	8.2
163.11247	1.4
163.14803	2.0
167.08545	4.6
168.09290	1.9
169.10091	12.4
170.10860	1.0
171.11652	14.1
171.95282	0.8
172.12518	0.8
173.09509	1.1
173.13242	10.7
173.14594	1.1
175.11302	0.8
175.14778	3.6
177.12567	0.8
177.16417	1.3
179.08530	2.1
181.10114	6.5
182.10909	1.3
183.11650	11.7
184.07339	1.9
184.12445	0.6
185.13229	9.5
187.14796	5.1
189.16374	3.2
193.10129	2.5
195.11693	8.2
197.13205	8.5
197.14864	0.7
199.14775	7.5
201.16388	2.8
203.17909	1.5
207.11711	2.4
209.13255	6.1
211.14790	6.1
213.13048	0.8
213.16383	5.1
215.17966	1.7
219.11647	1.0
221.13237	2.5
223.14761	4.9
225.16402	4.3
227.16129	1.3
227.18068	2.6
229.14264	1.5
229.19560	1.0
233.13290	1.2
235.14862	2.0
237.16422	2.6
239.18082	4.2
241.19746	3.5
247.14804	0.9
249.16353	1.5
251.17931	1.8
253.19652	1.3
255.17328	1.0
257.19006	5.4
259.20517	6.3
261.22192	1.3
263.17950	1.2
271.20456	1.0
273.22226	0.9
275.20200	1.4
277.19467	1.1
279.20813	0.9
283.20447	1.7
285.22150	0.8
297.22073	2.0
299.23590	1.1
311.23450	1.3
313.21588	1.0
313.27502	0.8
315.23294	1.6
321.21912	1.3
323.23795	1.3
325.21625	1.0
331.22739	1.2
333.24304	5.6
335.26059	4.2
337.25189	1.9
339.23196	1.0
339.26846	0.9
341.24625	1.2
351.26779	2.5
353.24750	1.4
355.26218	1.5
360.20944	0.8
363.26727	1.4
365.28406	1.5
367.26477	0.9
377.28333	1.0
379.26105	1.0
379.30301	1.1
407.29364	1.3
409.31107	1.7
417.31320	0.8
421.30740	1.4
429.31412	0.8
433.30270	1.0
435.32541	0.9
447.31998	2.0
461.33539	1.0
465.35001	1.3
483.34656	1.4
487.34128	1.3
497.36505	0.9
499.39294	2.3
501.35480	2.7
503.35239	0.9
509.36264	1.3
513.35327	1.0
515.37592	1.9
517.40540	10.7
521.36414	1.5
525.35211	0.9
527.37244	2.0
529.38629	1.0
535.41589	5.6
539.37250	2.8
541.38934	1.0
553.39307	1.2
573.42950	1.5
591.43988	9.2
607.42920	1.1
609.45038	100.0
610.45447	4.5
627.42926	0.7
633.45532	0.9
699.45886	0.8
734.35449	0.8
735.47571	1.1
753.48615	1.1
771.50348	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	824.55
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	2.1
65.03916	4.2
67.05492	83.0
69.03413	8.8
69.06674	1.5
69.07053	27.2
69.55990	7.7
71.04977	4.9
71.08606	0.8
73.02893	1.5
74.93761	0.7
77.48996	0.8
79.05478	61.4
81.03409	9.5
81.07040	86.2
83.04966	11.2
83.08604	13.1
85.02889	6.8
85.06545	3.7
86.38756	0.7
91.03953	1.1
91.05463	43.2
93.07026	74.1
95.04960	11.4
95.08589	51.6
97.02866	5.1
97.06509	11.9
97.10146	6.6
98.20694	1.3
99.04442	2.2
99.08080	4.0
103.05415	0.7
105.04477	1.4
105.07013	33.5
107.04931	5.6
107.08573	39.1
108.08899	0.9
109.02850	1.6
109.06481	4.6
109.10137	21.3
109.55297	0.7
111.04425	2.1
111.08069	6.6
113.09607	1.3
114.09136	1.7
115.05373	1.3
115.71072	0.7
117.07002	15.9
119.07719	1.4
119.08560	24.8
121.06462	3.1
121.10126	28.8
123.08038	4.1
123.11678	6.7
124.56918	0.7
125.09641	4.8
127.03893	3.3
129.05466	1.9
129.06981	5.3
130.07736	0.9
131.07629	1.4
131.08545	20.0
133.06500	1.2
133.10101	21.7
135.08051	3.8
135.11659	19.1
135.12619	1.4
137.09555	2.1
137.13199	1.1
139.11163	1.0
141.06992	1.7
142.07738	1.4
143.08519	4.4
145.04913	1.5
145.10094	17.5
145.11212	1.3
147.11659	12.1
149.09587	10.3
149.13245	13.8
151.11165	2.4
155.08574	1.9
157.10146	4.1
159.07990	0.8
159.11661	15.2
160.09630	2.1
161.09621	1.4
161.13219	6.3
163.11166	5.0
163.14783	3.4
165.12749	1.2
169.10081	2.3
171.11646	3.4
173.04433	2.4
173.11790	1.5
173.13194	7.8
175.11208	0.8
175.14772	2.8
177.12704	3.7
177.16286	1.3
179.14296	1.2
183.11638	1.6
185.13229	3.4
187.14761	3.0
189.11122	2.0
195.11868	1.0
195.13773	4.1
197.13202	1.5
199.14754	1.9
201.16396	2.2
213.14615	1.2
213.16426	0.9
215.17955	0.9
227.12718	4.0
229.14275	1.8
229.19460	1.3
239.17923	2.5
243.20975	3.9
247.20583	1.5
255.15887	6.3
257.19028	4.6
259.20605	2.2
261.22101	10.0
267.15952	2.6
269.17429	23.9
269.20383	1.4
273.18460	0.9
275.20035	19.7
293.20987	2.4
299.19467	0.9
317.24683	2.4
321.16779	1.3
331.22653	2.5
333.24237	1.8
335.25742	100.0
336.26221	3.8
349.23657	22.8
351.25406	0.9
367.24673	2.6
413.21686	2.3
489.35751	1.4
495.99319	0.8
505.35233	1.8
511.38303	1.0
515.37274	21.6
527.36975	1.0
529.38806	70.7
530.38989	4.4
569.41797	3.8
609.44995	29.4
610.45331	1.3
627.45935	7.6
673.42743	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	824.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.6
61.02898	1.4
65.03924	2.5
67.05494	69.9
69.03429	6.5
69.07059	20.3
70.06570	1.5
71.04977	9.0
73.02911	1.8
74.09695	1.0
79.05016	1.3
79.05483	38.7
81.03407	79.3
81.07043	57.7
81.07533	2.0
83.04972	11.0
83.08607	29.4
85.02898	3.7
85.06524	3.6
87.86012	1.0
91.05462	40.8
93.07030	38.4
94.07345	1.1
95.04951	32.2
95.08591	27.4
97.02859	4.9
97.06511	12.0
97.10157	11.9
97.58044	1.0
99.04424	1.0
99.08107	2.0
103.76132	1.0
105.07015	34.8
107.04939	13.3
107.07888	2.1
107.08580	28.7
109.06506	11.6
109.10138	34.7
111.04449	4.2
111.08064	11.7
115.05446	2.0
117.07001	11.9
119.04924	1.4
119.08553	32.1
121.06469	7.2
121.10136	15.6
123.08057	6.6
123.11682	3.9
125.09608	11.5
127.03893	1.6
128.06181	2.6
129.06990	14.0
131.04927	1.9
131.08546	25.3
133.06483	6.1
133.10109	20.9
135.08046	6.7
135.11661	7.7
137.05968	1.2
137.09624	7.5
139.11168	1.7
141.06993	2.6
142.07780	3.9
143.08527	7.2
145.06448	4.0
145.10103	14.3
147.04393	2.1
147.08017	6.0
147.11678	17.7
149.09593	12.5
149.13255	5.7
151.11186	2.8
153.09071	2.3
153.12715	1.5
155.08559	3.6
155.10626	2.3
157.06532	1.1
157.10098	14.3
159.08049	2.5
159.11693	9.1
161.09625	2.9
161.13252	3.3
163.11145	6.7
165.12740	2.5
167.08591	1.6
167.10629	1.3
169.10081	3.7
171.08046	1.2
171.10237	1.8
171.11671	5.2
173.09598	2.9
173.11731	8.9
173.13239	4.7
175.11174	12.4
175.14801	1.4
177.05498	2.0
177.12744	4.5
181.10095	2.1
183.11685	3.9
185.09622	1.2
185.13258	3.5
187.11137	1.5
187.14828	1.7
189.11201	4.3
190.26761	1.0
193.12228	25.9
195.11745	1.3
195.13708	2.0
197.13243	2.7
199.11090	1.3
199.14845	1.7
201.12802	1.8
203.14272	1.8
205.12134	1.5
207.13847	1.3
209.13286	1.3
211.13229	3.1
213.16545	1.2
217.15862	3.9
219.13847	1.3
223.14970	1.1
227.12698	9.0
229.14288	35.9
229.19261	1.5
233.15379	1.6
237.14754	1.1
239.14355	1.1
239.17923	2.0
247.20616	1.7
249.14799	2.3
255.15819	1.7
257.19006	3.9
267.15869	100.0
268.16180	1.7
269.17474	8.8
273.18350	1.2
275.20016	17.8
285.17007	1.1
287.16547	1.5
291.19577	1.6
293.21002	5.1
297.21979	1.2
313.21884	1.3
329.21011	1.8
331.23196	1.4
341.24625	1.3
349.23706	17.6
351.23157	3.0
367.24799	22.2
369.24115	4.0
385.23740	1.7
387.25122	2.8
403.24771	4.3
421.25800	48.3
422.26147	1.6
431.29074	1.6
433.29498	1.8
437.29056	1.5
443.27795	10.3
447.27417	8.5
449.30237	3.2
459.27420	2.1
461.28931	67.3
463.26801	2.0
465.28662	3.8
467.31628	2.9
475.30447	3.1
477.28448	2.4
479.29944	2.8
485.32529	1.7
493.31537	32.1
503.29980	1.4
511.32416	3.3
523.34113	3.8
541.35156	64.4
542.35645	2.3
547.28668	1.5
559.36255	69.7
560.36664	1.6
569.30499	2.7
573.37866	2.7
583.36133	2.9
587.31561	2.1
591.38550	2.8
637.36078	1.4
667.38190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.3
62.43261	0.2
63.02388	0.3
65.03928	2.8
67.05499	1.6
67.62590	0.2
69.03419	1.5
69.07081	0.7
70.06593	0.6
70.15394	1.2
71.05000	0.5
72.08157	0.4
75.04470	1.6
76.35103	0.2
77.03922	0.4
78.04691	1.3
79.05481	3.3
81.03403	2.3
81.05823	0.5
81.07062	1.2
82.04200	0.4
83.04997	0.8
83.08626	0.3
84.08176	0.4
85.02892	5.4
89.03938	0.6
89.06030	0.5
91.05463	7.7
92.11177	0.2
93.03394	6.3
93.07035	3.4
94.06564	0.5
95.04955	3.7
95.08581	0.5
95.30083	0.2
96.08120	0.6
97.02885	1.5
97.06509	2.0
98.21277	0.3
99.04451	0.3
101.05991	0.3
102.04672	0.3
103.05451	11.0
105.03400	1.0
105.07021	5.0
106.02932	1.2
106.04153	11.8
107.04947	5.8
107.08601	0.5
109.02874	1.2
109.06500	1.2
109.10170	0.6
110.03644	0.7
111.04436	1.5
114.09150	13.1
115.05451	2.7
117.03378	0.8
117.06989	3.0
118.04128	2.2
119.04926	2.0
119.08602	0.8
120.05699	0.7
121.02869	0.6
121.06486	14.9
121.10161	0.7
122.03677	0.5
123.04420	2.3
123.08071	0.8
124.03954	2.0
124.05168	0.9
125.05974	5.8
127.03925	1.3
128.06197	0.7
129.07002	1.0
130.04158	0.9
130.08612	1.0
131.04909	10.9
131.08571	0.9
132.05722	1.1
133.02846	1.2
133.06482	4.9
134.03636	2.4
135.04399	1.5
135.08040	1.1
137.05951	5.4
137.06969	0.3
138.03105	0.6
138.05478	0.6
138.06763	0.6
139.07570	1.3
141.07002	0.6
142.02617	0.6
143.04938	0.5
144.05653	0.8
144.06647	0.4
145.02856	1.6
145.04967	0.5
145.06456	3.6
145.10144	0.4
146.03612	0.6
147.04382	1.9
147.08020	1.2
148.05153	6.3
149.05959	25.0
150.06522	0.4
151.03886	2.1
151.07524	1.7
152.04672	0.7
153.05441	2.5
153.09090	6.2
155.07079	0.5
156.05667	0.4
157.06474	1.5
158.07310	0.3
159.04396	0.4
159.08037	1.7
160.05168	0.8
160.09683	0.9
161.05959	6.4
162.07707	0.5
163.03899	3.3
163.07510	11.8
164.08058	0.4
165.05472	1.3
166.06180	0.7
167.07019	30.5
168.07414	0.6
171.04379	0.4
171.06540	2.4
171.07837	0.4
173.05960	3.8
174.06743	0.7
174.11266	1.0
175.07506	2.5
176.04716	1.6
177.05449	15.5
177.08974	0.7
178.05894	0.7
179.07004	1.0
179.08524	0.5
181.04938	38.4
181.08539	13.3
182.05254	0.8
184.05243	0.4
185.05940	0.4
187.07448	1.8
189.05428	0.8
189.09064	1.7
190.06212	0.6
191.07005	45.6
192.07510	1.1
193.04901	0.8
193.08583	2.6
195.06522	2.7
195.08086	0.5
201.05420	1.0
201.09085	0.4
202.06093	0.3
203.06985	1.4
205.08537	2.4
207.06435	1.7
207.08327	0.4
207.10027	1.4
209.08055	100.0
210.08403	2.7
217.08582	1.4
219.06340	0.3
219.08170	0.5
219.10081	4.0
221.06036	0.5
221.07945	0.6
223.07552	0.4
225.07420	0.6
229.08617	0.3
231.06313	0.4
233.05872	0.6
233.07971	2.9
235.07489	1.0
235.09607	3.4
236.07985	0.3
237.09119	0.7
245.08058	0.9
247.07419	0.6
250.06616	0.3
251.09001	0.5
252.07828	0.4
253.08525	0.5
257.07916	0.3
263.06390	0.6
263.09122	12.5
265.08395	0.6
267.10028	1.5
268.08035	0.9
268.10645	0.3
269.08127	0.3
269.11548	0.3
271.09778	0.4
277.08685	0.5
279.10120	0.6
283.10217	0.3
289.10818	0.3
293.08188	0.6
295.09619	0.8
296.10532	0.4
297.11172	0.9
299.09088	0.3
299.12549	0.4
307.09711	0.4
318.15222	0.6
321.11411	0.4
323.09012	0.8
325.10791	1.4
326.10907	0.3
327.12323	0.6
329.13669	0.4
331.11734	0.4
335.09189	0.4
336.16324	0.9
337.10806	0.6
339.12244	0.7
357.13184	3.0
359.14804	0.9
367.11636	0.7
369.13275	0.8
371.14777	0.6
381.13181	0.4
383.15439	0.2
385.12686	5.5
386.12817	0.4
387.14279	0.4
389.15704	0.5
397.16260	1.1
399.14270	2.2
401.16171	0.3
417.15402	18.8
418.15704	0.8
475.40277	0.3
549.21429	0.3
597.22998	0.4
609.22565	0.9
644.43018	0.5
824.50012	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	823.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	3.9
69.03416	3.5
69.07056	2.1
70.06599	2.4
71.05000	1.3
71.79834	1.9
71.80192	1.4
72.08145	1.2
79.05493	3.2
81.03388	4.5
81.05893	1.3
81.07042	2.7
81.66461	1.2
84.08111	1.5
85.02893	3.4
91.05457	4.7
93.07027	5.6
94.06540	7.7
95.04968	2.1
95.07321	2.1
95.08611	1.7
96.08108	4.8
97.02863	3.8
99.04469	1.4
99.58646	1.3
105.06997	3.3
106.06552	1.4
107.07292	1.5
108.04437	1.3
108.08110	19.1
109.02870	3.0
110.09676	8.4
111.04377	1.4
112.07601	1.3
114.09152	2.5
117.03394	1.1
119.04959	1.4
119.08537	1.8
120.04488	2.1
120.08064	10.2
121.02807	1.6
121.06474	1.8
122.06017	13.8
122.09646	5.3
124.07552	2.3
127.03876	2.8
130.08627	23.1
131.04884	1.2
131.08966	3.6
132.08060	1.3
133.06378	1.4
133.10149	1.3
134.05991	2.9
136.07565	16.7
137.05977	5.6
138.09128	13.4
144.04437	1.2
145.02826	3.7
146.06010	8.6
146.08092	1.3
147.04404	4.9
148.07555	15.4
149.05945	1.8
150.09122	7.0
151.03925	2.5
151.07565	1.3
152.07068	10.6
159.07997	1.6
159.11685	1.3
159.78465	1.1
160.04021	1.6
160.07550	2.8
161.05968	1.6
162.05464	1.5
163.03905	2.3
163.07584	1.3
164.07057	5.8
166.08624	16.9
167.06905	2.1
172.03915	7.4
174.05495	2.9
175.03915	1.3
176.07146	1.3
177.05453	8.0
178.05876	1.7
181.04944	5.1
182.09520	1.4
190.04890	5.9
197.10648	3.2
198.11491	1.7
199.12277	1.2
201.05322	1.4
204.06573	8.3
207.06540	3.6
209.10791	1.5
210.11456	1.8
211.12259	6.0
213.10204	1.4
217.08475	1.2
223.12312	2.6
224.12906	1.9
225.10194	3.4
225.13823	1.9
226.11066	2.2
227.11783	5.7
235.08678	2.2
235.12372	1.4
236.09242	1.9
237.10263	5.5
238.10904	2.9
239.11794	14.4
240.12544	3.5
241.13397	2.3
249.10097	5.9
250.10989	4.3
251.11742	19.6
252.08926	1.2
252.12500	6.5
253.09717	2.9
253.13301	11.3
253.71893	1.4
255.11348	7.5
263.11777	16.0
264.08847	1.3
264.12329	4.6
265.09940	6.3
265.13379	10.3
266.10458	4.0
266.14099	4.2
267.11252	10.5
267.14203	1.5
269.12793	2.6
271.14417	1.7
275.11713	2.5
277.09763	3.6
277.13150	1.8
278.10449	5.3
279.11252	26.0
280.11890	2.4
281.12808	10.3
285.12323	5.1
290.10681	1.6
291.11166	12.4
292.11780	2.4
293.12796	9.2
295.10638	3.7
295.14209	1.9
297.12305	14.6
298.12946	1.5
299.13934	7.3
305.09158	2.0
307.10590	4.4
309.12341	6.3
310.12979	3.8
311.10452	2.6
311.13861	25.8
313.12027	1.5
313.15546	1.6
319.10690	9.2
321.12393	2.9
323.10257	3.0
325.11777	4.4
327.13504	2.0
328.14349	1.2
330.15735	1.8
337.11697	5.3
339.13397	3.9
340.14023	1.9
341.15152	2.2
344.17654	2.9
351.13333	1.8
353.14822	2.1
355.12738	4.1
358.15329	1.9
380.13379	1.5
381.14368	2.7
383.16373	2.8
386.18781	1.7
393.14240	2.3
395.16071	1.5
398.15240	1.2
411.15448	5.5
413.17194	1.9
415.13629	2.6
418.21420	2.8
429.16351	2.2
430.17368	1.8
435.15601	2.5
439.14929	4.4
441.16415	3.3
443.18332	2.0
446.20712	4.3
453.16483	5.6
455.17972	2.0
457.15802	1.4
459.17416	3.5
463.14798	2.8
469.16278	2.9
471.17587	10.6
472.18341	3.2
481.15985	14.1
487.16824	1.3
566.24420	2.2
578.24573	3.6
590.24884	2.6
591.21674	2.6
593.23572	1.8
594.24200	3.6
606.24426	31.1
607.24915	2.5
608.26019	46.9
609.25946	4.3
620.22192	2.1
634.23840	43.9
635.23724	2.7
652.24939	10.3
666.26544	100.0
667.26508	7.8
747.32129	1.6
755.29297	18.7
773.30066	8.5
791.31171	21.2
792.31006	2.1
823.33667	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	823.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78551	1.0
65.28236	0.9
67.05499	7.4
69.03404	3.6
69.07049	1.0
70.21381	1.8
70.21795	3.9
73.02895	1.2
79.05467	2.9
81.03403	6.6
81.07036	3.1
83.04970	2.1
85.02888	5.6
88.75101	1.1
89.26245	1.0
91.05470	3.4
93.07018	2.4
94.06568	7.3
95.04960	2.2
95.08602	2.8
97.02876	3.8
99.04427	1.1
105.06986	1.9
106.06580	1.4
107.04966	2.2
107.08585	1.5
108.08103	5.2
109.02848	4.6
109.06532	1.2
114.09158	3.1
115.05389	1.7
119.04942	1.3
119.08575	2.3
120.04425	2.4
120.08067	4.1
121.06484	1.5
121.10125	1.2
122.06007	18.3
123.11727	1.0
125.30810	1.2
127.03901	3.4
131.08546	1.2
132.08060	1.1
133.06479	1.1
133.10103	1.7
134.05971	6.1
136.06183	8.6
136.07536	9.8
137.05988	2.8
144.08046	1.9
145.10077	1.6
146.05983	4.4
147.04399	1.5
148.07542	12.3
150.09067	1.6
151.03894	1.6
152.07036	2.3
160.07549	1.2
160.09666	1.4
161.05928	1.3
163.03815	1.2
164.07034	4.0
166.08611	4.5
167.07047	2.9
172.03827	2.3
172.07542	1.7
174.05476	4.1
176.07018	1.4
177.05461	2.9
190.05025	2.5
191.06949	1.5
204.06508	3.1
207.06409	1.6
208.09731	1.9
211.08556	2.5
211.12268	2.5
213.10123	1.4
221.10567	2.4
222.11420	3.5
223.08691	7.5
223.12201	5.5
224.13048	3.6
225.10204	23.9
225.13799	4.5
226.10887	3.8
227.11739	3.5
229.98195	1.3
234.11327	1.5
235.08600	6.5
235.12274	3.2
236.09380	5.3
237.10156	13.4
237.13815	6.5
238.10983	11.6
238.14548	1.3
239.11723	21.0
240.12442	7.3
241.09656	2.4
241.13339	5.3
247.12280	3.2
248.09424	3.4
248.13124	1.7
249.10193	12.4
249.13860	2.2
250.10950	22.7
251.08109	6.4
251.11754	65.9
252.12492	12.4
253.09747	2.7
253.13350	18.7
254.13885	3.0
255.11234	2.1
262.10931	3.5
263.08798	2.1
263.11765	39.4
264.08942	2.9
264.12488	9.6
264.69351	1.2
265.09772	11.1
265.13306	75.8
266.10812	7.0
266.13901	9.5
267.11368	5.9
267.14734	6.9
268.12012	1.9
269.12860	3.7
275.11716	4.3
276.10056	1.7
276.12659	1.9
277.09756	6.5
277.13104	5.0
278.10269	9.7
279.11230	42.1
280.12170	6.1
281.09766	2.0
281.12784	10.8
283.10718	11.0
283.14041	1.8
284.11395	1.6
285.12292	3.4
291.11221	12.3
292.11832	4.1
293.09555	1.3
293.12799	34.4
294.13626	5.4
295.10773	6.3
295.14392	10.6
296.11465	4.8
297.12338	13.5
298.12964	5.2
299.13937	7.4
305.09137	1.8
305.12766	1.8
307.10565	3.3
309.12335	25.2
310.12933	7.9
311.13849	51.0
312.14340	3.7
313.15604	5.8
319.10831	5.7
319.14221	1.4
320.11285	2.2
321.12323	16.0
323.13959	4.3
324.14764	1.8
325.11588	2.6
325.15341	2.5
337.11722	8.8
338.12512	5.2
339.13336	16.5
340.14044	1.3
341.14926	2.7
344.13828	1.7
345.14551	1.3
351.13309	12.7
352.14032	2.1
353.14874	29.3
354.15433	2.6
355.16556	3.2
356.13629	1.7
357.14316	2.5
358.15405	1.4
360.16965	1.5
369.14413	16.6
370.15112	2.4
371.15994	35.4
372.16672	3.6
373.17960	1.8
379.12579	1.3
381.14249	6.7
383.16049	4.9
384.17136	1.5
385.17758	1.6
386.18671	2.0
393.14014	1.7
394.14789	1.4
395.16388	3.0
396.17023	1.6
397.17740	1.3
400.16479	3.3
411.15497	11.0
412.16168	2.6
413.17029	18.7
414.17883	6.4
415.13947	1.2
415.18808	1.6
416.19766	6.9
418.17148	1.3
420.72134	1.1
421.17499	1.8
423.15494	2.9
425.17126	1.5
427.18057	1.6
428.42313	1.3
431.17404	1.2
432.19107	5.9
435.15387	3.2
436.16095	1.9
437.16888	6.0
440.15448	1.8
441.16531	8.6
442.17709	5.1
443.18344	5.1
447.15582	3.5
453.16495	6.2
455.18137	12.2
456.18814	1.5
459.17703	2.2
460.18561	12.7
461.18845	2.0
463.14932	3.9
464.15433	1.2
465.16376	10.9
471.17453	12.9
472.18250	1.4
473.19089	25.7
474.20193	14.9
475.20279	2.6
479.17993	3.1
481.15891	7.8
482.16690	3.7
483.17569	18.0
484.17892	2.3
490.19653	2.6
492.21225	17.1
495.17429	2.7
496.18137	1.9
497.19110	13.1
499.16846	7.1
500.17877	2.0
501.18707	11.7
502.19510	2.9
506.19208	1.4
508.20746	8.1
513.18591	20.3
514.19385	3.6
515.20197	43.5
516.20428	3.5
522.22284	3.3
531.19562	24.0
532.20129	3.4
533.21271	57.1
534.22308	27.5
535.22443	2.0
538.21582	1.4
540.20953	1.7
542.22491	3.1
558.22284	4.3
560.23962	1.8
562.21130	2.3
568.20441	8.6
569.21460	1.6
576.23108	2.5
586.21710	28.3
587.21967	3.2
594.24402	5.0
600.23346	32.5
601.23663	2.5
604.22772	20.8
605.23163	1.6
611.24683	2.8
616.22406	3.9
618.24396	51.3
619.24603	6.7
622.23859	22.3
623.23560	2.1
629.25873	10.4
633.22253	1.2
634.23633	4.8
636.25427	100.0
637.25818	10.6
643.27271	2.5
647.24713	1.3
648.25323	3.0
650.22473	2.1
652.24603	3.2
654.26489	59.0
655.26971	6.2
665.25928	1.6
666.26001	1.5
668.24139	2.6
682.26160	1.2
684.27069	3.1
703.29333	1.7
737.28192	5.8
751.29309	7.8
752.30383	1.5
755.28650	3.5
769.30957	6.6
773.29578	3.4
774.29773	1.3
787.30933	3.9
791.30908	1.3
805.32147	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	823.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87818	0.7
67.05491	1.3
69.03419	1.7
69.07023	1.3
70.06573	0.7
72.08131	1.5
79.05450	0.8
81.03388	2.6
81.07030	1.4
85.02871	2.4
91.05472	1.8
93.07007	1.5
94.06562	3.7
95.04987	1.3
97.02860	1.4
106.06536	2.8
107.07332	0.7
107.08577	1.1
108.04391	0.7
108.08104	6.7
109.02852	1.5
110.05981	1.0
114.09145	1.8
114.10255	1.2
120.08095	2.1
122.06001	11.2
123.04480	0.7
124.07547	0.8
127.03921	1.3
130.08574	1.0
131.12959	0.9
132.08046	0.8
133.10127	1.0
134.05991	2.9
136.07565	6.5
140.07042	1.7
144.04433	1.6
145.02792	1.1
145.10097	0.9
146.05997	3.7
146.09584	0.8
147.04359	6.4
148.07538	9.4
150.09103	2.3
152.07036	4.4
160.07571	1.9
160.09616	0.8
162.05458	1.1
162.09067	1.2
163.03903	1.1
164.07033	4.5
166.08617	7.1
166.22244	0.7
168.06514	2.3
172.03902	5.1
173.04539	0.9
174.05476	4.1
174.09088	1.9
176.06996	5.3
177.05428	2.3
178.08664	0.7
190.04916	1.8
191.05685	2.2
192.06560	0.9
202.08679	1.0
204.06541	10.2
206.08119	1.7
207.06531	1.1
208.09668	4.4
209.10765	2.0
210.11465	2.3
211.12234	2.2
212.12990	0.8
218.11763	0.9
221.10617	0.7
222.11365	1.0
223.12299	2.4
224.09261	1.1
224.13037	1.9
225.10213	4.4
225.13860	2.0
225.33092	0.7
226.10835	0.9
227.11742	3.7
229.13377	1.1
235.08592	1.6
235.12308	2.4
236.09270	1.1
236.12962	1.4
237.10188	8.1
237.13899	2.6
238.10944	5.5
239.11751	15.4
240.12607	3.3
241.13312	1.4
243.11183	1.6
247.12204	1.4
248.09409	2.6
248.12990	0.8
249.10190	5.7
250.10941	7.0
251.11751	21.9
252.12517	5.8
253.09653	1.4
253.13336	12.5
254.14049	1.5
255.11227	1.0
261.10095	1.1
262.10922	1.4
263.11771	19.1
264.08954	1.3
264.12524	4.4
265.09720	6.6
265.13324	24.8
266.10596	3.9
266.13870	4.5
267.11237	5.5
267.14807	1.4
268.12024	1.4
269.12933	3.6
271.14362	3.9
274.10587	1.4
275.11804	2.1
276.12567	0.8
277.09735	5.0
277.13327	5.5
277.16547	10.2
277.66714	2.1
278.10419	7.5
279.11246	100.0
280.11890	10.2
281.09906	1.2
281.12839	10.1
283.10861	1.3
283.14325	1.8
285.12296	1.9
287.13992	0.9
289.15521	0.9
291.11282	7.0
292.11859	5.0
293.12799	13.0
294.13568	2.2
295.10739	4.2
295.14310	1.8
296.11417	1.2
297.12283	18.7
297.15585	1.3
298.13086	3.2
299.13937	2.0
303.11380	1.4
307.10583	0.9
309.12302	14.9
310.12885	15.8
311.13812	14.9
312.14578	2.0
313.11761	2.3
313.15381	3.6
315.13306	2.9
319.10788	4.5
321.12296	15.4
322.12601	1.0
323.13791	2.4
328.13904	2.2
331.16678	1.0
336.10968	1.0
337.11716	10.6
337.15045	0.6
338.12421	5.1
339.13345	24.7
340.14020	1.6
341.11285	1.9
341.15054	1.2
351.13107	4.4
352.13928	1.3
353.15149	3.2
354.15417	0.8
355.12622	1.0
358.15411	1.2
359.12796	0.7
365.14951	0.9
369.14401	6.6
370.15231	1.1
371.16010	7.2
372.17300	1.0
373.13788	2.2
377.15054	1.0
379.12650	1.1
379.16760	0.9
380.13403	0.8
381.14450	4.3
382.15161	1.2
383.15967	2.0
388.16495	0.9
395.15875	2.9
397.17563	2.4
399.15399	3.1
400.16479	4.8
402.17975	1.9
405.14624	1.0
407.15903	1.5
411.15335	5.7
412.16202	1.4
413.16977	3.1
414.17911	1.1
415.18555	2.3
419.16138	0.9
423.15475	1.8
424.16113	1.0
431.18210	1.1
433.19351	3.2
435.15405	2.4
436.16187	0.9
437.17017	2.5
439.14642	4.4
440.15765	2.0
441.16458	9.2
442.17474	2.7
443.18484	1.1
445.14209	0.9
447.15372	0.9
453.16476	4.8
454.17252	3.0
455.18112	4.7
456.18951	0.8
459.17526	3.8
460.18640	8.3
461.19019	1.5
462.20166	0.9
463.14999	3.0
465.16275	1.8
471.17551	5.5
472.18271	2.4
473.19058	2.2
478.19775	0.9
481.16016	13.6
482.16827	4.9
483.17508	14.7
484.18362	1.0
499.17053	17.4
500.17746	3.8
501.18579	16.3
502.19461	2.4
506.19113	5.8
508.20416	1.0
513.18646	3.2
515.20258	5.4
524.20355	0.9
527.20099	1.4
531.19598	6.2
533.21307	9.8
534.21875	0.8
538.21863	8.5
542.22571	0.9
561.24463	1.3
568.20538	2.7
586.21594	3.3
588.23041	2.6
600.24152	1.8
604.22919	6.3
606.24408	2.0
611.24493	1.0
614.20905	2.4
618.23914	2.1
622.24292	4.1
623.24133	0.8
624.25488	5.7
629.26019	19.3
632.22266	4.6
636.24841	2.5
650.23328	29.5
651.23981	2.0
652.25043	1.3
661.28668	4.3
664.24744	1.3
668.24316	41.7
669.24707	2.6
671.27063	1.6
682.26227	10.7
683.27454	1.6
700.27045	12.1
701.27362	1.1
719.26385	1.2
737.27814	5.3
755.28387	4.5
773.30078	15.2
774.30499	1.1
791.30933	7.9
805.32220	3.1
823.33826	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	822.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	9.2
57.07058	1.9
59.04971	0.8
61.02907	1.7
65.03919	2.9
67.05492	48.8
69.03414	2.0
69.07055	17.2
71.02515	1.4
71.02866	0.9
71.04981	3.1
71.08620	0.6
73.02871	0.8
76.32029	0.6
77.03912	1.1
79.05479	42.6
80.05832	0.7
81.03387	1.5
81.07041	54.0
83.04977	4.0
83.08602	11.1
85.02879	1.7
85.06528	3.1
91.05464	48.8
93.07027	44.2
95.04954	6.5
95.08588	39.7
96.08906	1.0
97.02820	0.9
97.06510	4.1
97.10153	5.0
99.08073	1.5
103.05441	1.5
104.73794	0.6
105.04514	1.1
105.07010	37.0
106.07349	1.0
107.04919	3.3
107.08575	20.4
108.08859	0.8
109.06493	5.4
109.10141	14.3
111.08067	1.4
115.05411	4.3
116.06210	2.1
117.07000	26.2
119.04935	1.4
119.08562	27.7
121.06504	3.4
121.10125	16.2
123.08071	3.8
123.11665	3.3
125.09583	2.9
127.03836	0.8
127.07526	0.8
128.06201	12.9
129.06979	13.6
130.07787	6.0
131.08542	52.4
132.08850	1.0
133.06462	3.6
133.10109	12.8
135.08031	2.6
135.11667	9.7
137.09576	1.8
137.13223	0.7
139.11162	3.0
141.06975	6.2
142.07785	3.9
143.08539	53.1
144.09190	1.4
145.06451	2.3
145.10098	52.9
146.10405	1.6
147.04376	1.5
147.08026	4.6
147.11665	6.3
149.09575	3.2
149.13217	3.4
151.11099	0.9
153.06932	1.5
154.07780	1.7
155.08548	5.0
157.10104	13.9
159.08008	3.3
159.11662	13.0
160.09677	1.2
161.09602	6.6
161.13211	3.0
163.11147	2.3
163.14813	1.2
163.66341	0.6
165.06993	1.7
166.07764	1.9
167.08559	2.8
169.10092	11.2
171.08044	0.8
171.11639	11.1
173.09581	1.5
173.13228	5.0
175.11157	3.1
175.14774	1.5
177.12741	1.6
179.08539	0.7
180.09300	0.9
181.10092	7.7
183.11658	8.0
185.09628	1.4
185.13228	4.7
187.11119	1.4
187.14780	1.0
190.36267	0.7
195.11661	13.0
197.13232	1.3
199.11172	1.5
199.14760	1.4
201.12741	2.1
207.11775	0.9
209.13242	2.8
211.14793	1.9
213.12637	1.7
213.16302	1.1
215.12729	1.1
221.20370	0.7
222.13969	0.8
227.12711	1.1
227.17844	3.4
231.13791	0.8
237.16339	15.0
241.14316	2.3
243.21031	1.0
245.18985	1.9
255.17377	13.6
257.19067	1.4
259.20581	1.6
261.22128	5.0
273.18439	41.1
274.18753	1.5
275.20114	1.0
291.19467	1.1
311.20053	0.9
329.20963	8.7
331.22812	1.0
333.24231	1.9
335.25748	100.0
336.26028	5.0
347.22092	32.0
348.22491	1.9
349.23694	0.9
365.23221	1.3
475.34164	0.9
515.38446	1.1
519.36371	1.1
533.39722	0.9
589.42804	3.2
607.43475	74.4
608.43835	7.7
625.44531	18.0
626.44629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.6
57.07053	2.4
60.19551	0.6
65.03920	3.5
67.05495	41.7
69.03415	1.8
69.07055	28.5
71.04977	3.2
71.08624	1.1
71.39946	1.2
71.40277	0.8
73.06573	0.8
77.03906	1.7
79.05478	40.4
81.03410	7.2
81.07040	55.2
82.07375	0.8
82.53905	0.6
82.88780	0.7
83.04970	5.8
83.08609	8.4
85.02930	0.8
85.06532	2.7
91.05466	60.2
93.07030	42.7
95.01314	7.3
95.04952	10.2
95.08592	34.6
97.02866	0.9
97.06521	17.8
97.10157	2.3
99.08080	1.8
103.05464	2.4
105.07012	84.9
105.42213	0.7
106.07363	1.0
107.04939	12.5
107.08576	21.5
108.08913	0.7
109.06478	4.1
109.10140	10.3
111.04411	0.8
111.08067	2.6
113.09657	1.2
115.05424	1.6
117.07005	17.6
117.07779	1.4
118.04523	0.6
119.08559	47.7
120.08889	0.8
121.06448	3.7
121.10124	14.4
123.04402	1.7
123.08081	3.0
123.11695	2.6
125.09630	1.9
128.06198	1.3
129.05446	1.1
129.06975	7.0
130.07800	0.9
131.08537	26.7
133.06511	1.1
133.10104	45.2
135.08051	3.5
135.11664	11.8
137.09645	2.1
139.07545	1.2
141.06953	2.1
142.08752	0.7
143.08559	6.9
144.09328	0.7
145.06454	2.1
145.08955	1.4
145.10100	22.7
145.11200	1.3
147.08025	1.0
147.11658	25.6
148.12045	0.8
149.09587	7.5
149.13240	6.6
151.11182	1.6
152.42101	0.7
155.08519	2.3
157.10114	6.2
159.11665	15.1
161.09641	1.4
161.13229	14.7
163.11156	3.5
163.14839	2.1
165.09122	1.6
165.12746	0.9
169.10126	3.0
171.11613	6.9
173.13200	8.5
175.11159	1.7
175.14775	6.0
177.12720	3.5
179.14290	9.0
181.10161	0.7
183.11722	2.5
185.13237	4.1
187.11208	2.7
187.14825	2.2
189.12741	1.1
197.13257	1.7
199.14798	2.9
201.16383	0.9
205.12212	1.0
207.13927	0.7
209.13251	0.7
213.16400	1.5
215.18027	1.9
217.19485	1.9
219.17363	1.7
229.19638	0.9
230.45076	0.8
231.21036	2.0
239.17934	2.1
241.19482	16.1
242.19913	1.2
247.20560	1.4
249.67337	0.7
257.18988	6.7
259.20541	26.7
259.23221	1.4
260.21191	1.3
275.20013	55.6
276.20380	1.7
277.21600	2.2
277.33032	0.7
279.15854	1.0
293.20975	3.9
311.23965	0.7
313.04431	0.7
313.21695	1.1
315.23206	9.8
331.22784	0.8
333.24185	54.8
334.24579	2.7
349.23691	53.0
350.24200	1.7
351.25162	1.4
391.30524	0.8
417.30905	0.8
437.34274	1.1
466.40237	0.7
483.34518	0.8
501.35770	1.0
511.37985	0.8
513.35895	2.9
515.38489	1.2
533.39972	1.2
551.41370	1.0
555.36212	0.8
607.43494	100.0
608.43842	9.8
625.44598	15.0
626.44775	0.7
822.46002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	12.0
57.07072	3.4
60.81778	0.6
61.02908	2.9
65.03931	4.5
66.04716	0.9
67.05494	97.7
68.05827	1.0
69.03418	6.3
69.07059	24.1
71.04984	5.9
71.73917	0.6
73.02894	0.8
73.06537	0.6
79.05481	64.3
80.05813	0.7
81.03409	6.3
81.07043	96.9
82.07374	0.8
83.04967	15.6
83.08606	10.9
83.09083	0.5
85.02889	2.3
85.06532	6.1
91.05465	68.3
92.05795	1.4
93.07028	69.0
94.07311	0.9
95.04955	16.1
95.08592	49.6
96.08959	1.2
97.02873	1.5
97.06512	7.7
97.10145	2.8
99.04451	2.1
99.08069	1.8
101.06026	0.6
103.05466	1.9
105.07014	58.2
107.04935	8.1
107.08577	56.0
109.02866	1.2
109.06500	9.5
109.10142	66.3
110.10497	1.6
111.04425	0.9
111.08054	4.8
113.05996	2.5
115.05446	1.5
115.07639	0.6
117.06998	12.1
119.08559	18.7
121.06499	7.0
121.10123	21.9
123.04476	1.3
123.08051	4.8
123.11694	13.6
125.09624	2.1
127.07545	3.8
128.06223	2.2
129.07001	4.7
131.08543	19.6
131.23373	0.6
133.06473	4.3
133.10109	76.8
134.10449	2.1
135.08031	7.1
135.11676	13.3
137.09596	2.9
137.13232	1.3
139.07494	0.9
141.06934	0.9
142.07788	0.6
143.08566	4.5
144.09364	0.7
145.10104	11.6
147.08034	4.1
147.11673	8.6
149.09592	6.8
149.13210	6.6
151.11159	30.7
152.11559	0.8
153.12694	0.7
155.03207	0.6
155.08513	1.1
157.10139	4.1
159.08049	2.5
159.10440	1.0
159.11670	7.1
160.09677	0.7
161.09596	6.2
161.13205	5.2
163.11206	2.2
163.14819	2.3
165.09058	0.6
169.10095	1.1
169.12218	5.5
171.11661	3.7
173.09662	0.9
173.13293	5.2
175.11125	3.2
175.14775	1.9
177.09102	1.6
177.12756	1.1
177.16359	0.8
179.10680	2.3
179.14275	0.8
183.11652	0.7
184.07292	1.0
185.13316	1.5
187.11212	1.1
187.14777	2.1
189.12711	1.4
191.14163	0.7
193.12166	0.8
197.13329	1.0
199.11127	1.5
199.14717	0.7
201.16241	1.1
203.14392	0.9
209.13211	0.7
211.14861	0.7
213.16269	0.6
215.12701	3.6
217.12167	0.6
217.64117	0.6
219.13788	1.0
223.13374	0.8
227.17920	1.6
233.22655	0.8
237.16200	0.6
241.19540	0.9
243.21083	3.5
245.19014	4.0
251.12743	1.8
253.14314	100.0
254.14624	1.4
255.17386	2.0
259.20554	1.5
261.22122	12.0
263.20044	4.3
271.15265	1.4
273.18460	19.0
273.21368	0.9
275.20071	1.2
291.19489	21.3
292.19763	1.0
301.21609	0.7
309.20633	2.6
317.24692	2.7
333.24304	1.6
335.25754	92.3
336.26031	4.0
347.22101	6.9
365.23166	33.6
366.23599	1.1
383.24011	1.0
421.31146	1.0
439.32166	1.7
457.32895	1.7
513.35712	5.0
515.38019	0.9
529.35052	2.8
531.36761	35.3
532.36945	2.7
533.39813	0.8
545.38513	0.7
607.43542	5.9
625.44550	67.2
626.44702	4.7
643.44989	1.3
797.65485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	8.7
57.07061	1.0
57.74743	0.3
59.04982	1.3
59.41215	0.4
61.02918	0.7
63.36934	0.3
65.03924	2.3
67.05493	52.7
68.05820	0.6
69.03416	7.5
69.07057	27.9
69.55380	1.6
69.55812	2.4
70.07388	0.5
70.19151	0.4
71.04980	2.5
71.08626	0.4
75.16933	0.4
77.03906	0.4
79.05479	37.1
81.03408	3.7
81.07042	44.8
82.07373	0.7
83.04971	3.9
83.08604	9.8
85.02903	1.3
85.06544	1.5
91.05466	24.6
93.07028	37.0
95.01311	0.4
95.04948	7.8
95.05490	0.6
95.08591	32.0
96.08965	0.5
97.02881	9.5
97.06509	3.5
97.10154	11.0
99.08084	0.7
101.06051	0.4
103.05466	0.6
105.03429	0.5
105.04510	0.6
105.07018	16.9
107.04937	5.6
107.08573	21.5
108.08922	0.5
109.02870	0.4
109.06483	2.8
109.10136	15.6
111.04443	0.8
111.08051	2.9
113.65642	0.4
114.09142	0.8
115.05377	0.6
116.06282	0.5
117.07000	7.5
119.04951	1.1
119.08567	14.7
121.06461	1.9
121.10126	14.8
123.04401	0.7
123.08041	3.3
123.11684	3.3
125.05974	0.5
125.09610	8.3
127.25216	0.4
128.06238	0.7
129.06960	2.4
130.07800	0.7
131.08546	11.0
133.06473	2.3
133.10103	9.5
134.07253	0.8
135.08032	2.8
135.11662	8.4
137.09599	2.7
137.13272	0.6
137.96310	0.4
139.11182	0.8
141.07027	0.6
142.07765	0.4
143.08539	2.7
145.06415	0.7
145.10106	8.1
147.08038	4.4
147.11659	5.3
149.09589	1.9
149.13249	5.3
151.11177	1.3
153.09099	0.9
155.08586	0.9
157.10121	2.1
159.08078	0.7
159.11687	4.9
160.09669	1.1
161.09537	2.3
161.13225	2.7
162.10210	0.6
163.11180	1.6
163.14845	1.4
165.09123	1.5
169.10124	0.7
169.12296	0.6
171.10251	0.8
171.11697	1.8
173.09676	0.5
173.11807	0.8
173.13255	2.8
175.11119	1.9
175.14822	1.3
177.12755	1.1
177.16302	0.4
185.13234	0.9
187.14870	1.0
189.11191	3.9
189.12701	0.6
193.12253	0.9
195.11894	0.5
195.13805	0.9
199.14705	0.5
201.16420	0.8
205.12212	1.5
211.13155	0.7
213.14696	0.4
223.13254	17.6
224.13528	0.5
227.12761	4.0
227.17984	0.7
231.17374	0.5
243.21065	2.7
245.18999	0.8
249.14842	2.8
253.14346	0.9
255.17485	0.5
259.20636	0.6
261.22098	8.6
262.22565	0.5
263.19965	0.7
267.16049	1.1
273.18448	13.4
275.20059	0.7
287.23666	0.4
291.19492	95.0
292.19861	3.3
297.17029	0.5
309.20547	0.7
317.24719	3.5
335.25754	100.0
336.26010	4.7
347.22052	2.4
365.23169	51.8
366.23465	3.2
455.32312	0.4
505.34949	0.9
513.35596	0.7
527.37372	1.0
531.36639	0.6
545.38080	3.6
551.40991	0.6
557.38239	0.6
567.40833	0.6
597.45038	0.5
607.43597	3.0
625.44543	96.3
626.44879	9.7
643.45355	0.7
788.91022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	12.1
57.07051	3.0
58.38227	0.7
61.02901	0.8
65.03931	3.7
67.05492	82.3
68.05811	1.1
69.03420	6.0
69.07055	22.5
69.55518	6.7
71.04981	7.3
71.08598	0.9
72.47108	0.8
73.02886	1.1
77.03919	1.1
79.05479	60.0
81.03398	7.2
81.07040	90.2
83.04965	15.0
83.08598	10.2
85.02889	2.9
85.06528	6.7
87.04472	1.0
89.05992	2.3
91.05463	67.3
93.07025	70.0
95.04379	1.3
95.04946	16.0
95.08592	44.7
97.02849	1.9
97.06505	6.0
97.10146	5.3
99.04433	2.3
99.08083	1.7
103.05491	2.0
105.04524	1.1
105.07010	52.7
107.04939	11.0
107.08572	52.6
107.09316	1.9
109.02842	1.2
109.06497	10.1
109.10135	53.3
111.04404	1.8
111.08059	4.1
113.05973	1.9
114.09115	1.4
115.05429	1.3
117.07000	11.2
119.08551	25.0
119.09394	1.6
121.06490	9.9
121.10122	20.3
123.04393	1.2
123.08045	5.2
123.11682	10.4
125.05964	0.9
125.09595	2.5
127.07545	3.2
128.06201	2.1
128.46028	0.8
129.06966	5.8
131.07816	0.5
131.08537	20.8
133.06471	6.0
133.10104	75.1
134.10449	1.7
135.08029	9.3
135.11670	13.9
137.09595	3.6
137.13254	1.7
139.07431	1.2
139.11194	0.9
142.07742	0.9
143.08533	7.0
145.06470	2.0
145.10101	12.0
147.08035	4.8
147.11658	9.3
149.06010	0.7
149.09572	7.6
149.13211	4.7
150.03831	0.7
151.11157	30.8
153.08980	0.9
153.12804	0.7
155.08513	1.3
157.10132	4.4
159.08012	3.7
159.11681	10.0
160.09685	3.3
161.09534	9.5
161.13237	5.5
163.07513	0.9
163.11182	2.9
163.14813	2.3
165.09100	1.1
165.12735	1.1
169.10095	1.8
169.12248	4.9
171.11621	4.0
173.09663	1.4
173.13213	3.6
175.11137	3.7
175.14729	2.1
176.14444	0.7
177.09073	2.2
177.12759	1.7
179.10628	2.1
181.10201	1.5
181.12184	1.3
183.11708	1.2
185.13229	3.3
187.11189	1.8
187.14769	1.6
189.12729	2.2
195.11739	1.4
197.13301	1.0
199.11116	2.1
199.14841	0.9
201.12741	1.5
203.14134	0.9
203.18022	1.1
207.13754	0.9
213.16455	0.9
215.12669	4.1
223.13208	1.2
227.17783	1.5
235.16800	1.0
243.21089	3.3
245.18936	7.3
251.12798	3.5
253.14299	83.0
254.14745	1.5
255.17390	3.4
259.20538	1.7
261.22092	12.0
263.20065	5.4
271.15347	1.5
273.18433	34.9
275.19839	2.3
277.21619	0.9
283.15326	0.8
291.19489	36.4
292.19763	0.9
309.20526	3.8
317.24686	1.1
329.21268	0.9
335.25739	69.9
336.26099	2.6
337.27197	1.2
347.22028	13.5
357.27695	0.8
363.25409	1.1
365.23154	58.0
366.23312	1.5
383.24225	1.7
439.31741	1.8
441.88879	0.8
457.33002	2.4
513.35809	7.9
514.35999	0.9
529.34808	2.2
531.36749	14.8
551.41144	1.6
567.39954	1.1
607.43610	10.1
625.44501	100.0
626.45343	4.5
643.45111	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	822.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	21.4
57.07060	2.1
59.04991	9.6
61.02900	3.0
65.03936	4.6
67.05492	100.0
68.05820	1.6
69.03413	8.1
69.07056	43.3
70.26185	4.4
71.01331	1.6
71.04985	12.0
73.02895	2.6
77.03938	1.2
79.05477	52.6
80.05777	0.9
81.03401	73.2
81.07040	64.7
82.07365	1.1
83.04959	13.6
83.08600	29.4
85.02885	6.3
85.06517	5.7
87.04449	7.2
91.03923	1.9
91.05461	54.0
93.07025	48.8
94.07393	1.2
95.04949	33.4
95.08585	38.1
97.02863	7.3
97.06504	15.2
97.10152	14.7
98.06007	0.9
98.21336	1.5
99.04433	4.8
99.08080	3.3
103.05430	1.6
105.07006	39.4
107.04940	16.9
107.08572	30.8
107.41480	0.8
108.08922	1.2
109.02863	2.7
109.06499	11.2
109.10138	54.0
110.10481	1.4
111.04427	3.5
111.08050	11.9
113.05968	1.8
115.05417	3.1
117.06995	13.6
119.04918	3.1
119.08560	37.7
120.08938	1.1
121.06490	8.3
121.10123	22.8
123.04398	1.9
123.08059	6.2
123.11677	3.3
125.09606	14.4
127.03885	2.6
128.06174	2.0
129.05441	2.4
129.06976	14.1
130.07736	1.7
131.04944	2.4
131.08546	24.1
133.06459	5.8
133.10114	22.1
135.08064	6.4
135.11670	13.0
137.05974	1.0
137.09602	10.2
139.11171	2.3
141.06935	3.1
142.07770	2.4
143.08542	5.6
145.06474	3.8
145.10086	15.3
147.08023	6.0
147.11656	17.3
149.09579	21.3
149.13185	4.4
151.11153	3.3
153.07033	0.9
153.09151	1.4
153.12665	1.0
155.08522	3.3
155.10654	3.6
157.10101	12.0
159.08060	2.3
159.11676	9.7
161.09604	4.2
161.13214	4.1
163.11150	12.6
165.12700	2.0
167.10657	1.4
169.10074	2.5
171.10307	1.0
171.11705	4.6
173.04462	2.2
173.09586	3.1
173.11717	16.3
173.13234	3.9
175.11162	11.9
177.12733	4.1
179.14285	3.4
181.10197	1.1
181.12199	1.7
183.11653	3.3
185.13203	3.4
187.07440	1.2
187.11150	3.3
187.14807	1.7
189.05431	1.0
189.11192	5.4
189.12717	2.0
191.10628	1.4
192.91089	1.0
193.12213	29.5
194.12608	1.0
195.11835	1.8
195.13760	3.2
197.13237	2.8
197.15186	1.7
199.11107	1.6
199.13225	4.8
199.14882	1.7
205.12198	2.8
207.13654	1.1
209.11732	2.4
211.11292	1.8
211.13123	6.3
213.73923	0.9
217.14159	1.2
219.13812	1.8
223.13193	2.4
225.14784	5.8
227.12679	11.1
229.14296	50.8
231.13826	1.8
233.15350	1.3
239.17957	2.2
241.14282	1.9
242.73972	0.9
243.15932	4.1
247.20676	1.3
249.14861	3.7
253.14168	1.1
255.15907	3.4
257.18988	4.2
259.15384	2.0
260.08829	1.1
265.14096	1.1
267.15851	73.1
269.17407	5.3
273.18460	3.8
275.20020	21.2
276.20364	2.0
283.15454	1.9
283.20413	1.0
289.17838	1.3
289.57263	0.9
291.19418	4.3
293.21027	1.6
297.16855	1.3
297.21942	0.9
311.19940	1.7
315.18063	2.5
329.21112	4.1
331.22705	1.1
347.22104	3.0
349.23694	20.3
350.23920	1.8
355.22684	2.1
363.21481	1.9
365.23141	3.9
367.24374	1.7
368.25327	1.0
373.18808	1.3
373.23456	1.6
383.24014	2.2
403.24817	3.6
409.25900	4.2
411.26935	1.1
421.25793	33.5
422.26321	1.3
423.27350	9.6
429.26492	2.2
435.27359	5.6
445.29709	2.1
447.27325	22.6
448.27505	0.9
453.27750	1.0
455.30057	1.3
459.27435	1.3
461.28830	3.7
467.31238	1.8
489.28494	1.3
495.33383	1.4
503.33368	3.8
509.30814	1.9
527.31201	1.1
541.35187	34.3
542.35388	1.3
544.37085	1.0
557.34204	3.7
559.36176	8.9
633.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	26.2
57.07048	1.9
59.04984	2.3
61.02903	5.4
63.38169	1.3
65.03925	4.7
67.05492	72.2
68.05825	1.7
69.03415	15.0
69.07056	47.9
71.01360	1.5
71.04977	25.1
71.80089	1.7
72.00546	1.2
73.02909	5.8
79.05480	76.9
81.03403	100.0
81.07040	80.8
81.07533	2.8
83.04967	17.9
83.08604	33.6
85.02892	11.9
85.06532	8.3
91.03944	2.8
91.05462	69.1
91.38239	1.2
92.05778	1.7
93.07027	63.0
95.04950	45.3
95.08591	36.8
97.02867	10.6
97.06512	78.5
97.10151	15.6
99.04445	4.9
99.08074	8.4
103.05432	2.1
105.04488	1.7
105.07013	55.0
107.04935	21.8
107.08575	37.4
109.02865	3.5
109.06496	27.8
109.10136	18.2
111.04427	5.4
111.08061	19.6
113.05972	2.4
115.05421	4.8
115.07549	26.4
116.06216	1.7
117.06989	26.8
119.04962	2.9
119.08562	38.5
119.09388	2.4
120.08932	1.4
121.06487	13.9
121.10120	27.9
122.10420	1.2
123.04409	3.6
123.08031	14.1
123.11658	4.3
125.05983	1.3
125.09610	14.0
126.29575	1.1
127.03889	6.5
127.07502	2.6
128.06216	4.9
129.05466	3.1
129.06976	23.5
131.04910	2.8
131.08542	34.2
133.06470	11.3
133.10101	26.1
135.08029	22.7
135.11649	11.9
137.09601	5.0
139.11176	2.3
141.06955	5.5
141.09096	1.8
142.07736	5.1
143.08534	15.4
145.04935	2.4
145.06474	6.2
145.10103	19.8
147.08022	13.3
147.11647	16.9
149.05956	3.0
149.09604	14.2
149.13248	8.6
151.07561	1.6
151.11163	5.2
153.09036	3.0
155.08527	7.3
155.10632	1.5
157.06494	1.6
157.10106	20.8
159.08029	11.2
159.11676	10.6
161.05910	1.6
161.09567	10.5
161.13254	3.0
163.07472	1.8
163.11145	8.4
165.09155	1.7
165.12718	3.0
167.08539	2.8
167.10638	1.6
169.10112	7.3
171.08038	2.0
171.10371	1.4
171.11636	8.0
173.04485	3.9
173.09552	6.8
173.11841	2.1
173.13258	5.0
175.11154	12.4
177.12766	6.5
179.08435	1.7
179.10741	1.9
181.10114	3.0
183.11688	5.5
185.09610	4.0
185.13219	3.5
187.11179	6.0
187.14816	2.1
189.11185	6.8
189.12787	3.6
191.10617	2.8
191.14304	1.5
193.12202	25.5
195.11710	4.5
195.13768	6.3
197.13283	4.0
199.11169	3.9
199.14830	3.4
201.12701	4.6
203.14343	2.0
205.12210	2.4
209.13338	1.9
211.11302	2.7
211.13263	6.4
211.14980	1.8
213.12766	3.4
215.14383	1.6
217.15877	9.5
219.13817	3.6
221.15381	2.4
223.11261	1.7
223.13156	2.9
227.12677	11.6
229.14288	5.2
231.13803	1.4
233.15335	3.5
235.13080	1.3
235.16953	2.2
237.12628	2.1
239.14285	1.6
245.13448	2.2
245.18987	3.4
249.14746	2.5
253.14395	4.2
255.17645	3.0
263.16235	1.6
267.15872	81.9
268.16150	2.4
269.17365	24.9
271.16861	4.1
273.15170	2.1
273.18433	27.6
275.19922	2.7
283.15366	4.6
289.18063	4.9
291.19492	14.4
292.19153	1.8
295.20547	1.8
297.17023	1.6
298.29370	1.5
307.19116	3.4
313.21530	2.8
320.84451	1.4
323.18726	1.6
329.21167	2.2
331.22766	1.7
345.20392	2.6
347.22214	10.2
349.23727	2.2
351.23169	2.8
363.21664	2.6
365.23163	12.7
369.24161	4.6
383.24365	3.9
387.25098	4.2
391.26178	1.4
395.25980	1.4
403.24652	2.5
405.26328	1.7
421.25806	5.3
425.26465	2.5
431.27878	1.7
435.27353	3.7
437.24826	3.2
443.27713	8.5
445.29672	10.3
447.27774	14.3
459.27118	1.9
461.28915	52.1
462.29330	3.2
463.30634	27.3
465.30304	8.2
471.27444	2.5
473.28668	2.3
477.28247	2.2
483.30920	7.9
485.29050	3.8
487.30600	10.2
489.28561	6.4
493.31686	13.1
495.28815	1.7
499.30551	8.5
501.31805	4.1
511.32547	2.5
515.29950	2.1
517.31665	3.0
521.31958	1.9
529.34790	3.4
535.31628	1.5
539.33606	23.6
557.34656	57.5
558.35071	3.3
575.35773	32.4
576.36670	1.8
581.34595	1.9
589.37036	5.2
607.35309	4.6
608.34607	1.5
683.38281	1.8
701.38904	2.2
719.39667	3.5
822.47729	3.6
853.50867	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.8
57.07056	0.6
61.02919	5.1
65.03920	0.9
67.05495	26.0
69.03424	2.8
69.07059	8.7
69.67246	3.3
71.04986	2.9
73.02901	2.0
77.03921	0.4
79.05482	16.7
81.03408	10.7
81.07044	35.5
83.04958	3.2
83.08607	9.6
85.02888	7.0
85.06539	2.3
87.04426	0.5
91.03967	3.2
91.04513	0.5
91.05466	14.2
93.07031	26.1
95.04951	7.0
95.08590	10.9
96.04449	0.4
97.02888	3.5
97.06513	6.3
97.10167	2.7
99.04453	0.9
99.08075	1.6
100.84132	0.3
105.07017	8.7
107.04938	2.6
107.08582	15.4
107.09330	0.7
109.02828	0.4
109.06494	3.0
109.10152	3.5
111.04384	0.9
111.08065	4.1
113.05959	0.4
115.05460	0.4
115.07600	0.4
117.06998	6.1
119.08557	5.0
121.06488	2.4
121.10128	8.4
123.08028	2.1
123.11681	2.0
125.09591	2.7
127.03905	1.6
128.06187	0.5
129.05518	0.4
129.06996	2.9
131.04893	0.5
131.08554	9.1
133.06485	1.1
133.10106	7.7
135.08023	2.2
135.11656	4.7
137.05983	0.4
137.09589	0.5
139.07492	0.4
141.06932	0.8
143.08540	2.0
145.04932	1.1
145.06525	0.6
145.10074	3.1
147.04477	0.5
147.08041	1.5
147.11681	2.7
149.09633	2.0
149.13235	11.7
151.11153	1.2
153.09106	0.5
155.08492	1.0
157.10112	2.2
159.08069	1.0
159.11664	6.1
161.09592	0.8
161.13249	0.4
163.06004	1.8
163.11159	1.1
165.12813	0.4
167.08569	0.6
167.14308	0.7
169.10135	1.1
171.11652	1.4
173.09651	0.4
173.13210	0.8
175.11153	1.2
177.12735	3.1
178.01411	0.4
181.10098	0.5
183.11679	0.7
185.13303	0.8
187.11131	0.5
189.11201	1.1
189.12724	0.5
189.36804	0.4
191.10657	0.5
193.10562	0.3
193.12202	2.4
195.13776	6.7
197.13216	0.5
199.11131	0.5
199.13193	0.4
199.14967	0.4
201.12750	0.6
205.12137	0.5
213.14795	0.5
217.15833	0.5
221.15265	0.6
225.16489	0.4
227.12653	2.1
229.14352	0.9
229.78824	0.4
233.15422	0.4
237.16508	0.5
245.18874	0.5
251.16264	1.8
267.15851	5.8
269.17429	19.4
273.18506	2.0
291.19400	2.1
347.22266	0.4
353.24719	1.5
360.51517	0.5
365.23236	1.3
371.25778	1.5
383.24167	0.9
389.27057	0.4
395.20728	0.4
413.21793	0.7
421.25720	0.5
427.28671	0.9
443.27747	0.4
445.29443	13.8
459.27213	0.9
461.29047	1.5
463.30499	100.0
464.30817	2.8
481.31485	0.9
487.30582	0.5
489.28616	0.4
493.31604	0.7
539.33868	2.1
557.34784	6.6
575.35583	3.2
589.33887	0.7
607.34680	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	821.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	13.4
57.07053	3.6
59.04969	1.9
61.02911	7.9
65.03919	5.3
67.05492	98.8
69.03414	14.4
69.07055	43.0
70.07401	1.6
71.04990	9.7
73.02886	4.2
74.09731	1.4
77.03934	2.0
79.05479	82.6
80.05824	1.4
81.03411	20.4
81.07040	100.0
83.04967	16.1
83.08607	27.5
85.02894	11.4
85.06535	7.9
87.04443	1.6
91.03927	2.3
91.05463	73.9
93.07027	81.8
95.01295	1.5
95.04948	19.7
95.08591	56.0
97.02859	9.8
97.06516	34.3
97.10147	23.6
98.20622	2.6
99.04445	3.3
99.08071	3.9
103.05460	2.1
105.07013	68.4
107.04935	22.1
107.08577	65.6
107.09314	2.9
109.02854	4.0
109.06504	12.7
109.10139	40.0
111.04382	2.1
111.08057	9.9
115.05458	1.9
117.06992	26.8
119.04913	2.0
119.08563	50.7
121.06483	7.9
121.09361	1.8
121.10133	25.3
123.04362	1.6
123.08059	10.6
123.11687	9.8
125.08799	1.9
125.09616	21.4
127.03893	5.0
127.07533	1.7
128.06200	2.6
129.05457	2.6
129.06969	12.0
130.07747	1.5
131.08546	39.5
133.06450	4.6
133.10109	43.6
135.08020	12.1
135.11678	17.6
137.09575	8.8
137.13222	2.0
139.11154	2.0
141.06976	3.5
142.07750	2.6
143.08556	13.1
145.06435	5.6
145.10092	33.3
147.08003	4.3
147.11656	23.3
149.09601	24.9
149.13219	10.2
151.11165	4.8
153.09102	3.0
153.12762	2.5
155.08531	5.9
155.10619	1.5
157.10110	10.9
159.08035	2.9
159.11662	23.6
161.09616	5.2
161.13237	8.5
163.11139	12.4
165.09087	2.2
165.12711	3.7
169.10153	7.2
169.12270	1.8
171.11632	12.4
173.04364	2.8
173.09610	2.7
173.11682	4.6
173.13203	11.5
175.11133	3.1
175.14804	4.0
177.12727	7.3
179.14320	4.2
181.10098	3.5
183.11627	7.8
184.07257	1.9
185.09583	1.3
185.13228	5.4
187.11157	3.0
187.13283	1.8
187.14786	3.1
189.11179	12.1
189.12753	4.3
191.14252	2.2
193.10124	2.7
193.12256	1.9
195.11778	2.0
195.13747	3.7
197.13223	6.8
199.11214	1.4
199.14867	2.1
201.12727	2.8
201.16368	2.5
203.14157	2.1
205.12122	2.4
207.13594	1.5
209.13350	2.4
211.14735	2.7
215.14304	1.6
215.17888	1.9
227.10634	2.7
227.12724	27.6
227.17885	3.1
229.14247	10.8
229.19493	3.6
229.51125	1.7
233.15375	2.2
235.14882	1.7
239.17976	6.5
243.15904	1.9
245.13802	4.9
247.20505	4.8
253.14444	2.2
253.17851	3.5
257.18982	15.0
259.20505	3.2
267.15823	3.8
269.17404	23.0
271.40924	1.4
273.18497	2.8
275.20016	85.7
276.20294	2.7
277.21582	2.9
291.19440	5.2
293.20999	8.0
297.98523	1.7
299.23410	1.7
301.21414	2.3
313.21350	2.9
321.24121	1.5
331.22580	5.2
335.25912	1.8
339.42325	1.3
347.22043	2.0
349.23651	57.8
350.24106	2.3
351.25128	4.9
365.23087	5.8
367.24716	10.3
373.23322	1.6
395.20193	1.6
397.21521	1.8
401.23447	2.2
437.30502	2.2
439.26810	2.0
445.29468	2.7
447.31003	1.8
449.28821	2.1
451.32217	1.8
463.30402	2.0
485.32553	2.0
503.33658	2.7
511.34058	3.9
513.35870	2.2
519.32971	5.1
521.34650	1.8
525.35638	3.8
527.37238	2.1
529.35303	9.0
531.37933	2.7
543.29102	3.0
543.36731	40.6
544.36438	2.1
549.38824	2.5
561.37708	6.4
567.35413	1.3
605.41241	3.6
611.43146	1.6
623.42926	33.6
624.42914	1.8
639.37653	1.4
641.43982	29.1
642.43219	1.7
659.45264	8.8
687.40533	4.6
703.41901	1.7
785.47595	2.3
803.48291	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	821.503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	14.6
57.07056	2.9
61.02924	8.8
62.81380	1.5
65.03927	5.2
67.05493	100.0
69.03066	2.2
69.03416	16.8
69.07053	42.3
71.01337	2.0
71.04980	10.2
73.02902	3.2
79.05481	78.9
80.05817	1.6
81.03405	20.3
81.07040	98.3
82.07374	1.3
83.04977	16.7
83.08604	25.4
85.02883	13.0
85.06527	5.8
91.03951	4.1
91.05463	76.4
93.07028	74.1
95.01277	1.4
95.04951	20.0
95.08590	51.1
97.02868	11.6
97.06513	36.9
97.10154	25.5
99.04439	3.1
99.08046	4.3
101.02392	1.5
103.05482	3.3
105.04508	1.8
105.07012	64.4
107.04948	19.0
107.08576	64.8
109.02875	3.9
109.06512	13.2
109.10134	38.4
111.04413	1.7
111.08051	7.5
115.05434	2.5
117.07005	32.1
119.04940	1.5
119.08562	45.1
121.06480	9.0
121.10125	26.5
123.04501	1.4
123.08055	10.6
123.11691	8.6
125.09611	23.1
127.03902	7.0
127.07555	1.9
128.06198	3.6
129.05460	2.4
129.06967	11.4
130.03113	1.3
130.07776	3.4
131.08537	41.1
133.06479	6.0
133.10104	41.4
135.08041	11.0
135.11674	17.5
137.09631	7.4
137.13239	1.4
139.11137	3.1
141.06970	6.1
142.07762	2.3
143.08565	12.7
144.09270	1.9
145.06459	3.4
145.10110	30.1
147.08052	5.7
147.11656	27.6
149.09601	26.4
149.13246	8.8
151.07549	2.1
151.11166	7.5
153.09056	2.1
153.12811	1.6
155.08562	6.2
155.10583	1.6
157.10092	11.9
159.08031	3.4
159.11665	25.2
161.09628	3.6
161.13240	10.1
163.07532	1.6
163.11180	14.0
165.08989	2.1
165.12740	3.5
167.08568	3.4
169.10094	10.2
171.10165	3.7
171.11676	11.2
173.04451	2.8
173.09692	3.8
173.11740	3.9
173.13275	10.0
175.11157	5.0
175.14864	4.0
177.12764	4.8
179.14267	2.3
181.10086	3.4
181.12230	2.0
183.11665	9.6
184.07341	1.7
185.13280	5.8
187.11198	5.3
187.14812	4.3
189.11201	10.5
189.12764	3.3
193.12286	2.1
194.73514	1.5
195.11827	2.9
195.13770	6.4
197.13240	6.1
198.25894	1.6
199.11183	3.2
199.14818	3.5
201.12675	1.8
207.11787	1.8
209.13332	2.6
211.14824	4.0
213.12805	1.8
213.16417	1.7
215.14313	3.3
219.13937	1.5
227.12701	32.7
227.14714	2.0
227.17812	2.3
229.14273	13.4
229.19443	3.8
237.16414	1.6
239.17949	6.1
245.13594	2.5
245.19078	3.0
247.20555	5.7
253.17982	3.8
255.15877	3.4
257.15140	1.6
257.18967	15.6
259.20581	2.3
267.15775	2.5
269.17413	19.7
271.20615	1.5
273.18506	4.7
275.20032	82.8
276.20236	2.1
277.21552	2.9
291.19553	7.8
293.21048	7.0
297.18570	1.6
299.20026	1.7
299.23605	1.6
307.15109	1.4
313.21613	2.3
331.22733	6.2
349.23660	62.4
351.25388	3.8
357.23904	1.4
365.23126	5.0
367.24710	11.5
370.74893	1.6
381.27863	1.4
413.21390	2.4
415.29840	1.7
419.24231	2.1
423.27402	2.0
431.28238	1.8
439.26575	4.3
445.29501	1.9
463.30472	3.2
469.33173	2.3
503.33640	4.5
511.34348	2.4
513.36401	2.4
519.33148	7.5
525.35693	4.4
527.37018	2.2
529.35089	10.0
531.37549	3.2
537.34607	1.4
541.35571	2.1
543.36804	45.8
544.37177	2.0
547.36267	1.9
559.36261	1.7
561.37750	6.9
583.40460	1.8
595.43170	2.8
605.41870	3.0
623.43024	33.9
624.43665	1.9
625.39197	3.1
641.43878	30.9
642.43793	2.3
659.45361	8.3
687.40900	3.5
705.41815	2.6
785.47632	2.0
803.49005	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	820.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	8.0
60.73713	4.1
61.02896	6.1
67.05492	38.7
68.05809	5.4
69.07059	6.8
70.45972	4.5
71.76323	5.5
74.09707	4.4
79.05477	27.8
81.07043	40.0
81.48894	4.2
83.08611	7.2
91.05467	16.2
93.07037	23.2
95.08578	34.9
96.08941	5.2
105.07023	8.3
107.08559	15.8
109.10122	13.7
115.15143	4.7
117.07047	4.6
119.08533	8.3
121.10136	14.5
123.11724	4.6
129.22591	4.3
131.08571	5.6
133.10138	10.9
135.11702	8.6
137.13245	5.6
145.10135	6.2
147.11671	11.0
149.13252	8.2
152.18552	4.3
159.11679	8.6
161.13251	5.4
184.07347	13.7
198.89659	5.1
229.79330	4.7
259.20468	7.0
261.22128	17.5
289.18399	4.9
298.10123	4.5
335.25760	100.0
336.26074	18.2
337.26697	13.3
405.87155	5.5
428.63162	4.5
436.02274	5.0
484.37253	7.4
594.95251	5.0
595.47076	13.4
613.48004	12.4
681.06470	5.4
763.69092	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	820.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	4.7
57.07072	1.8
65.03939	1.4
67.05495	25.8
69.03408	1.4
69.07046	6.0
71.04994	2.0
71.80708	1.3
71.81113	1.1
79.05483	17.9
81.07043	26.8
83.04962	2.0
83.08595	6.9
86.09689	4.0
91.05466	22.6
93.07037	23.9
95.04953	3.8
95.08593	17.5
97.06481	1.4
97.10152	9.4
103.05450	1.6
104.06221	1.4
105.07012	8.2
107.04951	1.4
107.08575	12.5
109.06551	2.5
109.10126	9.1
111.08088	1.7
114.09135	2.5
115.05416	1.0
115.34965	0.9
117.07008	12.6
118.42048	0.9
119.08564	100.0
120.08929	1.4
121.10119	7.3
123.11724	1.9
124.99986	3.7
125.09599	7.3
128.06247	1.3
129.06993	4.9
131.08565	5.8
133.06456	2.1
133.10130	5.8
135.08058	8.2
135.11685	2.2
137.05981	1.5
137.09593	1.8
141.07005	2.0
143.08540	2.5
144.05658	1.5
145.06474	2.6
145.10117	10.6
147.08023	20.6
147.11668	2.8
149.09572	1.4
149.13275	1.4
155.08469	2.0
157.10083	9.6
159.08029	42.3
159.11661	5.4
160.09686	5.2
161.09578	3.5
161.13210	1.9
163.07533	1.0
169.10072	7.4
170.74728	1.0
171.11700	2.4
173.09604	10.5
173.13121	1.7
175.07559	1.8
175.11211	1.4
183.11664	3.0
184.07339	16.5
185.13202	1.2
187.11197	1.4
187.14764	1.8
189.11182	4.3
197.13226	1.7
199.11147	1.1
209.13219	2.2
211.11183	1.4
211.14798	2.4
225.16345	3.1
227.12703	9.6
229.14305	1.2
235.14735	2.3
253.15881	4.0
258.08725	1.2
259.20596	1.8
261.18362	1.0
261.22006	1.7
271.16916	15.7
283.00900	1.1
289.17941	32.6
298.32156	1.1
313.27304	3.1
333.24097	1.1
335.25754	42.1
336.26276	1.6
345.20520	2.9
363.21646	24.5
364.22150	1.7
379.29852	2.9
605.40887	1.3
623.42950	68.3
624.43402	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	819.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	12.0
57.07056	2.1
59.04985	2.5
61.02911	4.3
65.03916	5.7
66.52738	1.0
67.05494	70.4
68.05821	1.1
69.03423	22.5
69.07057	45.7
69.43397	1.1
71.01366	2.8
71.04990	11.3
73.02907	5.0
77.03936	1.2
79.05480	70.4
81.02932	1.8
81.03404	25.9
81.07041	61.4
83.04968	13.6
83.08604	20.6
85.02892	10.4
85.06521	4.4
91.03947	1.5
91.05460	57.6
93.07029	53.4
93.07629	1.4
95.01309	2.0
95.04379	2.0
95.04952	26.2
95.07989	1.9
95.08591	35.5
97.02867	14.7
97.06515	31.4
97.09554	2.0
97.10152	26.2
99.04435	2.9
99.08067	1.6
103.05453	3.2
105.04507	2.4
105.07012	55.0
107.04941	27.9
107.08576	48.1
107.09318	2.0
108.08924	1.0
109.02876	4.3
109.06500	13.2
109.10134	25.5
111.04435	4.7
111.08073	5.8
113.06004	2.4
115.05419	3.4
116.06197	1.5
117.07004	24.4
119.04895	2.2
119.08564	44.4
121.06494	9.5
121.10125	17.8
122.39674	1.1
123.04429	2.5
123.08060	11.1
123.11684	3.2
125.05988	1.8
125.09612	27.1
127.03906	5.8
127.07552	1.1
128.06223	4.2
129.05516	2.2
129.06982	11.3
130.07767	2.2
131.07623	2.1
131.08548	28.2
133.06465	7.7
133.10107	25.1
134.07268	2.0
135.08023	14.5
135.11664	10.3
137.09589	6.0
139.07521	2.1
139.11024	1.6
141.07016	3.0
142.07770	2.5
143.08546	12.5
145.06470	2.8
145.10103	22.3
147.08052	9.8
147.11665	18.0
149.09584	23.3
149.13219	5.2
151.11159	4.9
153.09087	3.5
155.08566	4.0
157.10089	9.7
159.08044	3.1
159.11679	15.4
161.05980	1.3
161.09608	6.6
161.13257	8.9
163.11137	12.3
165.09106	5.6
169.10092	6.3
171.08070	2.0
171.10141	3.2
171.11679	8.4
173.04468	3.5
173.09607	3.6
173.11732	3.8
173.13246	6.3
175.11163	7.3
175.14822	2.9
177.12741	4.1
179.14258	3.6
181.12186	1.5
183.11668	6.1
185.09608	1.6
185.13249	3.5
187.11176	4.4
187.13307	1.3
187.14815	2.7
189.09352	1.5
189.11191	16.2
189.12752	2.0
191.10735	1.5
191.14336	2.2
193.10576	1.2
193.12158	6.4
195.11647	1.8
195.13800	2.4
197.13243	4.7
199.14850	3.1
201.12698	2.3
203.14349	2.0
205.12224	3.1
207.11659	1.3
209.13289	1.3
211.13235	4.4
211.14999	2.0
213.12640	2.0
213.16348	1.6
215.14214	1.1
215.17940	1.1
217.15764	1.6
219.13771	2.0
221.13260	1.6
223.11252	2.2
223.13216	16.7
227.12730	39.7
228.13135	1.1
229.14351	4.2
229.19521	2.5
233.15350	1.9
239.17955	3.8
245.13811	3.1
245.19046	2.9
247.20573	2.4
249.14706	5.0
253.17915	1.3
255.17630	1.2
257.19028	8.7
263.20007	1.4
267.15781	6.0
273.15616	2.1
273.18466	25.8
274.19016	1.0
275.20020	61.2
276.20398	1.4
281.18414	1.0
285.16858	1.2
289.17804	1.9
291.19501	100.0
292.19748	3.8
293.21054	5.4
299.20145	2.3
301.21313	1.2
313.21265	1.2
326.28976	1.0
331.22702	2.0
340.88089	1.0
345.20294	1.7
347.22150	6.8
349.23688	44.5
350.24011	2.1
365.23193	39.9
366.23627	1.9
367.24863	2.1
383.22351	1.3
397.22241	1.5
413.21558	1.2
419.24194	1.6
435.23337	2.0
437.25461	1.5
461.28787	3.9
517.31281	1.6
519.33307	4.2
535.32965	5.2
541.27454	1.6
541.35162	12.4
542.35522	1.7
543.36761	7.2
547.37061	1.2
559.36267	11.0
585.37750	1.5
599.39587	1.1
611.44421	1.2
621.41614	10.2
639.42462	55.2
640.42395	4.2
657.43292	9.1
691.28552	1.3
703.40198	4.3
737.66974	1.2
765.45807	1.7
783.46332	2.3
801.47711	4.9
819.48987	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	819.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	12.0
57.07056	2.1
59.04985	2.5
61.02911	4.3
65.03916	5.7
66.52738	1.0
67.05494	70.4
68.05821	1.1
69.03423	22.5
69.07057	45.7
69.43397	1.1
71.01366	2.8
71.04990	11.3
73.02907	5.0
77.03936	1.2
79.05480	70.4
81.02932	1.8
81.03404	25.9
81.07041	61.4
83.04968	13.6
83.08604	20.6
85.02892	10.4
85.06521	4.4
91.03947	1.5
91.05460	57.6
93.07029	53.4
93.07629	1.4
95.01309	2.0
95.04379	2.0
95.04952	26.2
95.07989	1.9
95.08591	35.5
97.02867	14.7
97.06515	31.4
97.09554	2.0
97.10152	26.2
99.04435	2.9
99.08067	1.6
103.05453	3.2
105.04507	2.4
105.07012	55.0
107.04941	27.9
107.08576	48.1
107.09318	2.0
108.08924	1.0
109.02876	4.3
109.06500	13.2
109.10134	25.5
111.04435	4.7
111.08073	5.8
113.06004	2.4
115.05419	3.4
116.06197	1.5
117.07004	24.4
119.04895	2.2
119.08564	44.4
121.06494	9.5
121.10125	17.8
122.39674	1.1
123.04429	2.5
123.08060	11.1
123.11684	3.2
125.05988	1.8
125.09612	27.1
127.03906	5.8
127.07552	1.1
128.06223	4.2
129.05516	2.2
129.06982	11.3
130.07767	2.2
131.07623	2.1
131.08548	28.2
133.06465	7.7
133.10107	25.1
134.07268	2.0
135.08023	14.5
135.11664	10.3
137.09589	6.0
139.07521	2.1
139.11024	1.6
141.07016	3.0
142.07770	2.5
143.08546	12.5
145.06470	2.8
145.10103	22.3
147.08052	9.8
147.11665	18.0
149.09584	23.3
149.13219	5.2
151.11159	4.9
153.09087	3.5
155.08566	4.0
157.10089	9.7
159.08044	3.1
159.11679	15.4
161.05980	1.3
161.09608	6.6
161.13257	8.9
163.11137	12.3
165.09106	5.6
169.10092	6.3
171.08070	2.0
171.10141	3.2
171.11679	8.4
173.04468	3.5
173.09607	3.6
173.11732	3.8
173.13246	6.3
175.11163	7.3
175.14822	2.9
177.12741	4.1
179.14258	3.6
181.12186	1.5
183.11668	6.1
185.09608	1.6
185.13249	3.5
187.11176	4.4
187.13307	1.3
187.14815	2.7
189.09352	1.5
189.11191	16.2
189.12752	2.0
191.10735	1.5
191.14336	2.2
193.10576	1.2
193.12158	6.4
195.11647	1.8
195.13800	2.4
197.13243	4.7
199.14850	3.1
201.12698	2.3
203.14349	2.0
205.12224	3.1
207.11659	1.3
209.13289	1.3
211.13235	4.4
211.14999	2.0
213.12640	2.0
213.16348	1.6
215.14214	1.1
215.17940	1.1
217.15764	1.6
219.13771	2.0
221.13260	1.6
223.11252	2.2
223.13216	16.7
227.12730	39.7
228.13135	1.1
229.14351	4.2
229.19521	2.5
233.15350	1.9
239.17955	3.8
245.13811	3.1
245.19046	2.9
247.20573	2.4
249.14706	5.0
253.17915	1.3
255.17630	1.2
257.19028	8.7
263.20007	1.4
267.15781	6.0
273.15616	2.1
273.18466	25.8
274.19016	1.0
275.20020	61.2
276.20398	1.4
281.18414	1.0
285.16858	1.2
289.17804	1.9
291.19501	100.0
292.19748	3.8
293.21054	5.4
299.20145	2.3
301.21313	1.2
313.21265	1.2
326.28976	1.0
331.22702	2.0
340.88089	1.0
345.20294	1.7
347.22150	6.8
349.23688	44.5
350.24011	2.1
365.23193	39.9
366.23627	1.9
367.24863	2.1
383.22351	1.3
397.22241	1.5
413.21558	1.2
419.24194	1.6
435.23337	2.0
437.25461	1.5
461.28787	3.9
517.31281	1.6
519.33307	4.2
535.32965	5.2
541.27454	1.6
541.35162	12.4
542.35522	1.7
543.36761	7.2
547.37061	1.2
559.36267	11.0
585.37750	1.5
599.39587	1.1
611.44421	1.2
621.41614	10.2
639.42462	55.2
640.42395	4.2
657.43292	9.1
691.28552	1.3
703.40198	4.3
737.66974	1.2
765.45807	1.7
783.46332	2.3
801.47711	4.9
819.48987	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	818.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16398	2.7
67.05492	21.6
69.05671	2.4
69.07049	4.0
70.14236	15.1
78.38139	2.9
79.05473	10.0
81.07030	19.0
81.82352	2.2
83.08600	3.3
85.02936	2.3
86.09703	3.1
91.05453	7.5
93.07048	13.6
95.08599	16.1
95.30856	3.0
98.20718	2.7
101.07137	4.8
102.09179	4.1
105.07002	9.1
107.08558	7.6
109.10149	8.5
119.08577	6.7
121.10112	5.3
131.08501	4.2
133.10094	5.5
135.11664	7.0
147.11652	6.5
149.13239	3.7
159.11603	4.0
161.13213	5.6
163.14810	3.6
173.13243	3.5
184.07349	10.5
225.31422	2.8
229.37187	2.4
243.20944	5.6
259.20514	6.0
261.22134	20.2
263.23737	2.9
317.24713	4.0
333.24200	4.8
335.25735	100.0
336.26013	3.2
337.27444	10.0
405.72015	3.0
595.47040	19.3
613.48041	11.2
622.75226	3.1
788.47986	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	819.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.2
65.03938	5.9
67.05498	4.0
69.03441	8.2
69.07045	2.9
69.37234	1.3
70.06599	1.5
71.04971	3.1
72.16186	1.4
73.02909	2.5
77.03939	1.5
79.05497	3.6
80.05042	1.3
81.03407	20.8
81.07042	3.6
82.06620	1.2
83.04986	1.9
85.02865	6.5
86.09690	2.1
91.05486	3.8
92.04975	4.9
93.07050	2.4
94.06559	13.8
95.04980	3.8
95.08591	1.7
97.02899	13.2
97.06549	1.6
98.21479	2.0
99.04457	2.6
104.05004	4.3
105.07020	3.4
106.06539	1.9
107.08581	1.6
108.04460	3.7
108.08138	1.6
109.02860	17.6
109.06488	1.4
109.10165	1.7
114.09189	1.7
119.08606	1.7
120.04484	1.4
121.10158	2.1
122.06032	6.4
125.02318	1.7
127.03902	23.2
131.08533	2.4
132.04431	8.8
133.10127	3.4
134.05998	3.2
135.11696	1.6
136.07582	11.3
137.06001	2.1
138.05484	43.5
138.09140	10.2
144.08163	1.4
145.02786	2.1
146.05986	2.3
147.04372	1.9
148.03979	1.3
150.05463	4.5
157.10056	1.9
158.09509	1.5
159.11673	2.6
160.03940	8.6
160.09639	1.7
162.05487	9.3
163.03851	1.9
163.05052	2.2
166.04994	16.0
167.07106	2.1
170.08434	1.6
177.05460	2.5
178.04984	9.2
180.06613	2.1
183.09155	2.4
184.07634	1.5
184.11340	2.9
185.10759	2.8
186.12846	2.0
188.03406	32.4
188.07008	1.5
188.14291	1.5
194.08336	1.5
195.09203	5.3
196.09851	7.9
197.10765	4.6
199.08582	1.7
200.09357	2.7
202.08693	1.8
206.04454	16.3
209.10660	3.8
211.08578	6.4
211.12233	7.3
212.06990	1.7
212.10706	5.9
213.06549	1.7
213.10248	6.1
213.13896	4.5
214.12405	8.9
215.08119	1.4
220.06039	4.7
222.07846	3.6
223.08662	11.4
224.07253	2.8
224.09477	5.8
225.10155	12.4
226.08633	2.9
226.10721	2.0
227.08072	2.2
227.11768	1.6
228.08878	9.9
229.09702	4.1
229.13254	10.0
230.11870	7.3
231.14888	2.3
235.08675	2.6
237.06630	3.4
237.10202	13.2
238.07208	2.0
238.10901	1.8
239.08144	5.5
239.11809	11.1
241.09572	8.8
241.13347	4.1
242.11703	6.6
243.11314	11.2
244.09676	3.6
244.11899	1.7
249.10165	2.6
250.07327	2.7
251.08160	27.1
252.08887	4.1
253.06081	2.5
253.06694	1.9
253.09692	53.0
254.06871	1.7
254.10397	4.2
255.07924	1.5
255.11201	7.1
256.08374	4.1
257.09177	9.4
257.12830	22.0
259.11865	2.9
259.14398	27.0
264.08810	2.9
265.06335	2.0
265.09695	34.5
266.06949	4.6
266.10458	14.4
267.07642	14.6
267.11261	17.8
267.16052	1.9
269.09219	6.0
269.12338	1.7
271.10699	2.3
272.11523	46.0
273.11914	2.0
275.13922	4.8
277.09628	4.3
278.06927	3.1
279.07657	43.2
279.10803	2.3
280.08411	6.0
281.09183	100.0
282.09656	3.6
283.07498	1.7
283.10599	6.4
284.11505	12.5
285.12302	79.3
291.07629	1.7
293.05701	4.5
293.09146	30.5
293.12195	1.3
294.06403	5.1
294.09915	50.9
295.07440	2.9
295.10733	28.2
297.08691	13.7
297.12048	2.7
299.10287	4.3
303.13385	68.6
306.06305	14.6
307.07111	64.4
308.07556	3.8
309.08633	3.2
311.10007	6.5
313.11813	11.0
321.08658	37.2
322.09369	2.6
323.10172	5.5
324.07449	3.8
325.08173	15.7
325.11737	2.2
338.08908	2.1
339.09732	97.7
340.10083	4.1
341.11194	3.9
349.08102	10.2
353.11331	3.9
355.12567	2.4
366.08313	1.9
367.09143	23.4
367.16565	2.7
378.18066	3.9
381.10739	59.1
381.15448	2.9
382.11163	3.3
385.10184	14.0
407.12418	7.1
409.09628	3.3
409.14041	4.9
411.11783	6.2
420.19159	23.9
425.13400	1.6
427.11282	10.3
437.13443	7.6
438.20383	2.7
441.12335	1.9
447.11877	4.3
449.13382	6.7
455.14566	6.3
465.12872	41.8
466.13474	3.3
467.14282	2.5
471.19473	1.5
475.10977	6.5
480.21680	1.6
481.15979	4.2
483.13904	30.5
484.14053	1.7
493.12399	16.9
499.17136	1.5
511.05774	2.1
511.13464	43.7
529.14545	4.4
546.22321	2.7
564.23419	3.6
568.16907	3.0
582.24274	6.2
607.21875	9.4
625.22906	22.3
639.24225	14.0
641.25671	2.1
657.25287	9.5
667.23914	28.3
668.24475	1.7
699.26483	23.3
705.24823	4.5
707.26935	8.7
715.23901	3.2
719.25751	1.7
725.27319	1.9
733.25031	40.6
734.24628	2.6
747.25598	2.1
751.26013	40.7
752.25763	2.5
765.27637	25.5
769.27026	83.5
770.27100	7.4
783.28540	19.5
801.29669	23.6
819.29883	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	816.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	13.8
57.07067	42.7
63.18371	1.7
65.03944	3.1
67.05494	52.6
68.93622	1.6
69.03415	3.6
69.07055	28.2
70.90495	2.2
70.90854	5.3
71.01340	2.2
71.04991	2.9
71.08617	32.8
73.02898	1.9
79.05482	34.1
81.03394	5.1
81.07040	69.4
83.04977	7.6
83.08595	19.6
83.18572	1.5
84.32127	1.7
85.02888	8.4
85.06538	4.7
85.10162	19.3
86.09711	2.1
86.39463	1.6
89.06032	2.6
91.05457	29.7
93.07025	42.8
94.79677	1.6
95.01309	3.4
95.04965	10.7
95.08592	46.0
97.02875	3.5
97.06516	11.4
97.10142	10.5
99.00802	2.2
99.08084	2.0
105.07018	22.6
107.04954	7.8
107.08567	25.1
107.09220	2.1
109.06492	5.5
109.10144	16.4
109.79935	1.7
111.08074	4.4
113.02338	3.2
117.06974	11.1
119.08571	20.7
121.06504	4.9
121.10116	15.0
123.08038	5.1
123.11690	7.7
125.09613	2.5
129.06993	5.3
131.03322	2.1
131.08539	15.7
133.06464	2.3
133.10098	15.8
135.08054	6.0
135.11655	15.0
137.09543	2.5
137.13304	2.0
141.01791	5.2
143.08568	2.7
145.10088	13.4
147.08096	2.3
147.11647	12.1
149.09575	12.1
149.13240	10.2
151.11165	2.1
155.08507	1.9
157.10091	6.7
159.11620	12.6
161.13199	3.9
163.11142	8.7
165.12802	2.6
169.10078	2.6
171.11641	4.2
173.13272	5.2
177.12730	4.6
183.11699	1.6
184.07341	5.0
195.13747	8.1
197.13300	2.4
213.14764	2.1
213.81161	2.4
239.17874	4.2
239.23640	3.4
247.20651	2.3
255.15936	15.1
257.18988	9.4
257.24625	1.8
267.15994	2.9
269.17419	30.8
275.20041	30.9
276.20438	1.6
291.19397	2.5
293.21045	2.1
309.90436	1.7
313.27301	100.0
331.22577	3.1
341.27036	1.8
349.23676	37.6
367.24670	5.5
409.18024	2.1
427.19540	4.2
493.38852	19.9
507.40384	79.2
508.40735	2.9
525.26886	2.6
547.43311	3.2
587.46564	36.7
605.47369	7.2
651.09143	1.7
683.43140	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	816.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96706	1.6
57.03435	9.2
57.07070	21.3
57.88716	1.5
60.08152	5.1
61.31392	1.4
65.03929	3.0
65.42620	1.3
67.05494	32.8
69.03423	3.4
69.07053	17.2
71.01344	1.6
71.04951	3.1
71.07351	3.8
71.08623	18.0
71.32759	2.5
71.33076	1.7
79.05480	20.3
81.03370	1.9
81.07044	33.2
83.04925	3.4
83.08610	15.7
83.27488	1.4
85.02896	6.1
85.06507	2.1
85.10156	10.0
86.09700	29.1
91.05480	20.2
93.07031	20.7
95.01312	2.1
95.04945	5.1
95.08596	31.8
97.06520	7.3
97.10167	10.8
98.98435	3.2
99.08081	2.6
104.10717	2.7
105.07028	18.3
107.04932	2.6
107.08588	17.3
109.06510	3.2
109.10165	13.1
109.10815	2.4
111.08070	3.5
111.11637	2.0
111.79090	1.5
117.07005	7.7
119.08595	15.4
121.06462	2.5
121.10136	9.1
123.08034	2.9
123.11703	3.3
124.99982	21.2
125.09619	5.2
129.06976	3.7
131.08545	13.1
133.10138	11.2
135.08020	3.4
135.11661	10.1
137.09593	1.8
137.13086	1.4
141.01794	7.0
143.08548	3.6
145.10098	12.0
147.11674	7.1
147.88680	1.4
149.09624	6.8
149.13264	4.1
151.07465	1.6
157.10097	3.2
159.11665	9.7
161.09525	1.7
161.13197	2.0
163.11148	3.0
169.10133	2.1
171.11601	3.1
173.13284	4.4
183.11639	3.1
184.07323	100.0
185.13228	5.9
189.11201	4.6
195.13914	2.4
199.14937	3.0
203.14311	2.2
210.08911	2.6
217.15808	3.5
219.17381	1.8
227.12712	6.2
229.14192	1.9
239.17899	4.1
239.23654	2.7
255.15865	7.7
257.19022	12.0
269.17386	13.1
275.20020	26.5
293.21091	2.1
296.71402	1.5
313.27332	77.4
331.22696	4.5
349.23715	30.3
367.24677	1.7
392.86630	1.5
403.15921	4.9
493.39047	9.4
507.40454	20.1
547.43347	3.1
569.45294	2.0
587.37640	2.8
587.46643	40.6
588.46667	2.2
605.47229	3.4
816.56940	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	815.4768
Annotation	Beesioside H
Peak:m/z	Relative Intensity
57.03421	0.4
57.07064	0.9
59.04968	0.3
61.02919	0.2
65.03911	0.4
67.05173	0.2
67.05494	2.9
69.03413	0.8
69.07050	3.2
71.04612	0.2
71.04982	3.7
75.70930	0.2
79.05482	2.2
81.03389	0.3
81.07041	6.4
81.07523	0.3
83.04951	0.6
83.08597	1.6
85.02879	1.5
85.06516	0.7
91.05466	2.5
93.07026	7.3
95.04964	0.8
95.08585	10.8
97.02868	0.5
97.06488	0.8
97.10148	0.8
98.20654	0.4
99.08101	0.9
105.07008	6.0
107.04935	0.2
107.08573	11.4
109.02864	0.2
109.06503	0.6
109.10133	10.3
111.08068	1.0
111.11679	0.4
113.09618	0.3
117.07001	0.7
117.34309	0.2
119.08557	8.8
121.06481	0.6
121.10121	10.1
122.10486	0.2
123.08078	0.9
123.11684	7.5
125.09599	2.6
127.03952	0.3
127.07471	0.3
127.11171	1.7
129.06998	0.3
130.07750	0.2
131.08563	2.0
133.06528	0.2
133.10101	9.7
135.08031	0.9
135.11664	9.6
137.06012	0.2
137.09599	0.4
137.13228	1.6
139.07515	0.3
139.11136	0.7
141.12712	0.8
142.07782	0.2
143.08571	1.2
143.10651	3.3
144.09329	0.3
145.04912	0.3
145.10088	4.1
147.08023	0.5
147.11662	5.6
147.12854	0.3
149.09584	1.0
149.13239	3.4
151.07407	0.2
151.11166	0.7
153.09097	0.3
153.12685	0.6
155.08511	0.3
156.09303	0.2
157.10083	1.6
159.08012	0.5
159.11670	3.9
161.09584	0.9
161.13216	4.2
163.07458	0.2
163.11176	0.4
163.14783	2.7
165.09068	0.3
165.12712	0.5
167.10738	0.2
167.14359	0.3
169.10101	0.7
171.11656	1.9
173.09627	0.4
173.13222	3.7
174.13855	0.2
175.11234	0.8
175.14789	2.0
177.09067	0.4
177.12741	0.4
177.16374	1.2
179.10674	0.4
179.14313	0.6
181.12267	0.2
183.11702	0.7
185.09654	0.3
185.13219	1.8
187.11145	0.4
187.14801	2.8
189.12718	0.6
189.16339	2.6
191.10634	0.3
191.14195	0.4
191.17957	1.7
193.12285	0.2
195.11676	0.4
195.17424	0.2
196.57880	0.2
197.13255	0.7
199.14769	1.5
201.12773	0.3
201.16333	2.3
203.14279	0.4
203.17906	3.0
205.12187	0.3
205.15837	0.5
207.11971	0.2
207.13857	0.3
207.17493	0.2
209.13309	0.3
211.14763	0.7
213.12672	0.2
213.16313	1.1
215.14334	0.5
215.17867	1.1
217.15836	0.6
217.19438	1.1
219.13812	0.6
219.17395	0.3
221.15424	0.2
223.14871	0.4
225.16389	0.6
227.14403	0.2
227.18005	0.6
229.15866	0.5
229.19470	0.5
231.13820	0.2
231.17354	0.3
233.15295	0.8
233.18918	0.3
235.16998	0.2
237.16411	0.2
239.18037	0.3
241.15869	0.2
241.19495	0.4
243.17432	0.3
243.21022	0.3
245.15340	0.3
245.18947	0.4
247.16908	0.8
249.18518	0.2
253.19469	0.4
255.17856	0.1
255.18651	0.2
255.20981	1.0
257.19000	0.3
259.16803	0.3
259.20480	0.5
261.18439	0.2
263.16437	0.2
265.19464	0.3
267.20999	0.4
269.22641	0.6
271.20639	0.2
273.22049	0.6
275.20157	0.5
279.21188	0.3
281.19250	0.2
281.22571	0.2
283.20535	0.2
285.22247	0.5
287.20047	0.2
287.23428	0.2
293.22485	0.3
297.22198	0.4
299.23755	0.5
301.21484	0.7
301.25046	0.2
303.23166	0.3
309.22369	0.2
309.25928	0.2
311.23605	0.2
313.25247	0.2
315.20068	0.2
315.23184	1.4
317.24448	0.2
321.25577	0.2
327.23248	0.2
329.24625	0.2
333.25455	0.2
339.26932	0.3
351.26776	0.3
353.24667	0.2
367.26117	0.2
369.27832	0.3
377.31583	0.2
385.30829	0.3
387.28690	0.2
395.33221	1.0
409.34534	0.7
419.32971	1.0
427.35812	0.3
437.34082	3.1
455.35135	10.3
456.35632	0.3
473.36172	100.0
474.36530	3.3
491.37225	15.5
491.47653	0.2
492.37427	0.5
653.42297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4771
Annotation	Beesioside H
Peak:m/z	Relative Intensity
57.03419	0.6
57.07052	0.7
59.04987	0.5
61.02903	0.3
65.03930	0.3
65.93024	0.2
67.05494	3.8
69.03412	1.3
69.07057	3.2
69.71696	0.6
69.72121	1.2
71.04985	4.3
71.08621	0.2
71.85853	0.2
72.08121	0.2
73.02885	0.2
79.05475	2.0
81.03399	0.6
81.07042	7.2
83.04955	0.7
83.08598	1.9
85.02895	2.6
85.06533	1.0
91.05466	2.4
93.07028	7.5
95.04956	0.8
95.08591	11.9
97.02887	0.7
97.06525	0.9
97.10130	1.2
99.08106	0.9
103.05431	0.3
105.07012	5.6
107.04913	0.4
107.08575	11.9
109.02854	0.4
109.06511	0.8
109.10139	11.6
111.08050	1.1
111.11715	0.4
113.09657	0.4
114.09155	0.2
117.06999	0.7
119.04923	0.3
119.08564	9.2
121.06503	0.9
121.10123	11.4
122.10479	0.3
123.08073	1.3
123.11684	7.5
125.05984	0.2
125.09611	2.8
127.03892	0.7
127.07530	0.3
127.11169	2.3
129.06950	0.3
131.08546	2.6
133.06439	0.4
133.10110	9.2
135.08028	1.2
135.11671	10.0
137.05920	0.3
137.09610	0.5
137.13211	1.8
139.07607	0.2
139.11191	0.9
141.09093	0.3
141.12675	0.9
143.08604	1.5
143.10649	3.9
145.04942	0.2
145.10100	4.1
147.04385	0.8
147.08034	0.6
147.11661	6.4
148.12173	0.2
149.06030	0.2
149.09596	1.0
149.13226	3.5
151.07491	0.3
151.11166	0.6
151.14702	0.2
153.09081	0.3
153.12697	1.0
155.08499	0.3
156.09299	0.2
157.10126	1.7
159.08060	0.5
159.11678	4.2
160.11983	0.2
161.09625	1.1
161.13226	5.3
161.14511	0.4
163.03839	0.6
163.07532	0.3
163.11140	0.6
163.14796	2.2
165.09071	0.3
165.12675	0.2
167.07050	0.3
167.10649	0.4
167.14253	0.2
169.10136	0.6
169.15948	0.2
171.11644	2.0
173.09581	0.5
173.13234	3.4
174.14012	0.2
175.03810	0.2
175.11160	0.7
175.14755	2.7
177.05463	0.5
177.09103	0.4
177.12752	0.5
177.16344	1.6
179.10690	0.4
179.14314	0.7
181.09961	0.2
183.11678	0.8
185.09656	0.3
185.13284	1.8
187.14786	3.3
189.12732	0.7
189.16339	3.2
191.10637	0.4
191.14302	0.8
191.17918	1.9
193.12192	0.3
195.11659	0.5
195.13318	0.2
197.13269	0.8
199.14790	1.6
201.12697	0.4
201.16396	2.4
203.10652	0.4
203.14195	0.3
203.17902	2.8
205.12262	0.3
205.15775	0.5
209.13286	0.5
211.14789	1.0
213.16306	1.3
215.14384	0.4
215.17923	1.2
217.15901	0.5
217.19441	1.1
219.13858	0.5
219.17499	0.3
221.15210	0.3
223.14745	0.4
225.16408	0.7
227.17914	0.7
229.15855	0.4
229.19429	0.5
231.13759	0.4
231.17419	0.5
233.15285	1.0
235.16846	0.4
237.16415	0.2
237.18590	0.2
239.18010	0.5
241.15891	0.2
241.19556	0.7
243.17426	0.4
243.21092	0.5
245.15390	0.4
247.17003	1.1
247.20520	0.2
251.18040	0.3
253.19615	0.5
255.17474	0.3
255.21046	1.0
259.20575	0.5
261.18420	0.3
261.22144	0.3
267.21014	0.4
269.22751	0.4
271.20636	0.5
273.18478	0.3
273.22064	0.8
275.20013	0.3
279.21164	0.4
285.22083	0.5
287.20059	0.4
287.23761	0.3
297.21979	0.5
299.23581	0.4
301.21576	0.7
303.23193	0.2
309.25797	0.2
311.23611	0.2
313.25162	0.2
315.23273	1.2
317.24683	0.3
325.25241	0.2
331.23041	0.2
339.26764	0.3
341.28668	0.2
369.27881	0.3
371.29645	0.3
381.27628	0.3
385.31097	0.2
393.31854	0.2
395.33011	1.2
409.34637	0.8
419.33032	1.2
437.34094	3.5
453.33249	0.4
455.35117	10.1
456.35660	0.5
471.34601	0.4
473.36185	100.0
474.36588	5.1
489.35739	0.7
491.37225	15.7
492.37567	0.8
532.20526	0.2
533.74615	0.2
635.41760	0.3
651.41730	0.2
653.42297	0.7
697.85516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4771
Annotation	Vina-ginsenoside R25
Peak:m/z	Relative Intensity
57.03426	1.9
57.07061	1.5
59.04988	0.4
61.02916	2.4
65.03929	0.6
67.05491	6.6
69.03416	7.2
69.07053	5.7
70.06586	0.5
70.22746	1.2
71.04981	6.9
73.02901	1.2
73.06541	0.4
79.05475	4.5
81.03406	3.7
81.07041	12.7
83.01342	0.3
83.04968	1.4
83.08607	3.0
85.02889	18.5
85.06512	1.2
87.04443	0.9
91.03934	1.1
91.05458	5.6
93.07027	12.1
94.07357	0.3
95.04950	1.6
95.08591	17.3
97.02883	6.8
97.03516	0.3
97.06509	1.6
97.10157	1.4
99.04425	1.5
99.08086	1.3
103.03973	0.3
103.05458	0.3
105.07013	10.2
107.04964	0.9
107.08573	18.7
109.02874	2.1
109.06517	1.1
109.10135	16.9
111.04420	0.4
111.08066	1.2
111.11687	0.5
113.06007	0.4
113.09616	0.4
114.09119	0.6
117.07003	1.9
119.08558	14.6
120.08876	0.4
121.06490	1.6
121.10123	15.6
122.10491	0.3
123.04505	0.3
123.08057	1.4
123.11684	10.4
125.05978	0.3
125.09611	4.5
127.03891	4.6
127.07553	0.4
127.11176	3.4
129.05435	0.5
129.07025	0.9
130.08670	0.3
131.08533	5.0
133.06464	0.4
133.10103	14.4
134.10472	0.3
135.04370	0.3
135.08040	2.3
135.11670	13.8
136.06200	0.3
136.11969	0.3
137.05959	0.9
137.09581	1.6
137.13216	4.8
138.09944	0.3
139.07594	0.5
139.11143	1.2
141.09030	0.3
141.12738	1.0
142.07732	0.4
143.08559	3.0
143.10657	5.1
144.09296	0.3
145.02872	0.5
145.04927	2.1
145.06525	0.4
145.10101	7.8
147.04401	1.3
147.08032	0.7
147.11661	9.2
149.09584	1.7
149.13222	4.9
151.07483	0.6
151.11284	0.5
151.14845	0.4
153.05440	0.3
153.09119	0.4
153.12718	1.3
155.08554	0.7
156.09332	0.4
157.10088	4.3
158.10828	0.6
159.08055	0.7
159.10352	0.4
159.11665	7.8
159.12918	0.5
160.12465	0.3
161.09607	1.8
161.13235	6.4
162.13509	0.3
163.03880	2.0
163.06091	0.2
163.07507	0.6
163.11156	1.0
163.14783	3.3
164.04283	0.5
165.09113	0.7
165.12753	0.5
167.10672	0.4
167.14343	0.5
169.10121	1.3
170.10884	0.3
171.07982	0.3
171.11653	4.4
172.12512	0.3
173.09579	0.7
173.13220	5.5
175.03868	0.4
175.07574	0.2
175.11191	1.4
175.14796	4.2
175.16174	0.4
177.05452	0.9
177.09079	0.5
177.12779	0.4
177.16341	2.0
179.10657	0.6
179.14290	0.6
181.05014	0.3
181.10217	0.4
183.11688	1.7
185.09616	0.4
185.13245	3.9
187.11186	0.8
187.14784	4.3
189.09003	0.4
189.12750	1.0
189.16327	3.9
189.17760	0.3
191.10687	0.8
191.14323	1.0
191.17899	4.4
193.12291	0.7
195.11665	0.7
197.13206	1.9
199.11235	0.6
199.14774	2.8
201.12752	0.9
201.16348	4.3
202.16750	0.4
203.10608	0.3
203.14279	0.9
203.17894	3.6
205.12289	0.6
205.15959	0.4
207.06563	0.5
207.13837	0.4
207.17453	0.4
209.13251	0.8
211.14815	1.7
213.12888	0.4
213.16333	2.3
215.14334	0.8
215.17871	1.9
217.12250	0.4
217.15900	1.0
217.19498	1.8
219.13850	1.0
219.17419	0.6
221.15376	0.3
223.14803	0.7
225.16383	1.0
227.14307	0.6
227.17908	1.3
229.15974	0.4
229.19479	0.9
231.13879	0.3
231.17409	0.5
233.15433	1.1
233.18874	0.3
235.16916	0.4
237.16418	1.0
239.17953	0.8
241.15921	0.5
241.19479	1.5
243.17442	0.5
243.21129	0.4
245.15419	0.9
247.16873	1.9
249.18593	0.4
251.17926	0.4
253.19524	0.8
255.17441	0.4
255.20999	1.4
257.18994	0.4
259.16962	0.5
259.20569	0.8
261.18494	0.7
265.19666	0.4
267.20999	0.6
269.19226	0.5
269.22665	1.1
271.20605	0.7
273.18689	0.4
273.22168	0.8
275.20120	0.4
279.21252	0.4
281.22540	0.3
283.20490	0.3
285.18829	0.3
285.22086	0.8
287.20178	0.4
287.23779	0.3
293.22516	0.3
297.22092	0.8
299.23737	0.5
301.21661	0.8
309.22336	0.3
309.25659	0.5
311.23776	0.6
313.21625	0.6
313.24994	0.4
315.23111	3.1
327.23108	0.5
339.26978	0.7
341.24789	0.3
351.26880	0.9
369.27869	0.6
377.32184	0.5
395.33182	2.2
409.34717	1.5
419.33047	2.6
431.18594	0.3
437.34067	9.3
438.34451	0.7
453.33133	0.3
455.35144	21.2
456.35590	0.8
471.34491	0.7
473.36255	6.5
489.35529	2.1
491.37027	0.3
507.36539	0.3
549.33673	0.4
617.30615	0.5
617.40320	7.0
635.41425	100.0
636.41748	4.9
651.40369	0.8
653.42566	2.0
750.24359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80850	1.0
60.10312	0.9
63.74845	0.9
69.03419	1.9
69.60349	9.1
79.05495	1.1
81.03380	1.8
82.43335	1.0
85.02883	2.8
97.02917	1.0
106.06535	3.1
107.07329	1.0
108.08100	12.8
109.02838	2.3
120.08062	2.4
122.06017	4.2
124.07573	19.2
127.03865	1.4
136.07587	3.5
136.89661	0.9
146.06004	3.4
148.07542	12.7
150.09097	2.8
152.07043	2.2
160.07616	2.0
162.09142	1.4
163.03825	1.0
164.07042	5.5
166.08621	6.4
172.03870	4.9
173.04585	1.1
174.05482	5.3
176.07018	5.2
190.04974	2.0
192.06529	1.4
200.06958	1.1
203.68831	1.0
204.06564	6.2
206.08096	2.0
208.09656	3.8
210.11475	3.7
211.12169	1.6
217.75891	1.1
221.10622	1.4
222.11389	1.5
223.12265	3.5
224.13084	1.9
225.10222	2.3
225.13873	3.0
226.10806	1.3
226.14404	1.2
227.11781	3.3
235.08618	3.5
235.12343	2.8
237.10217	10.7
237.13866	5.0
238.10872	4.8
239.11752	18.2
239.15462	1.4
240.12592	3.4
241.13316	2.9
243.11140	1.3
245.12823	2.6
247.12547	1.3
248.09453	4.3
249.10126	10.8
249.13855	1.1
250.10930	10.3
251.11751	36.3
252.12534	9.5
253.13326	28.5
254.13902	2.3
255.11214	1.0
255.14854	1.3
262.10919	2.6
263.11734	33.5
264.09790	1.1
264.12485	7.0
265.09708	13.2
265.13339	44.8
266.10480	3.1
266.14090	10.9
267.11349	6.1
267.14807	3.9
268.11823	3.5
269.12878	5.5
271.11453	1.1
271.14368	4.9
274.10730	3.1
275.11606	2.0
277.09695	9.9
277.13382	4.3
278.10419	8.2
279.11227	67.4
280.12003	9.6
281.12769	9.8
282.13599	1.8
283.11014	1.3
283.14243	2.2
284.11624	1.2
285.12274	2.1
287.13904	1.6
291.11270	14.0
292.11884	8.6
293.12787	25.0
294.13474	5.5
295.10760	10.1
295.14417	5.2
296.11398	3.0
297.12296	15.1
298.12994	2.5
299.13852	4.7
305.12344	1.0
307.10849	1.6
309.12265	17.9
309.15591	1.6
310.12833	21.9
311.13809	41.5
312.14496	6.2
313.15421	9.2
315.13373	1.4
319.10754	14.8
320.11481	3.5
321.12228	10.5
323.13913	1.3
328.13873	9.8
329.15118	2.0
336.11035	1.1
337.11746	10.3
338.12503	4.1
339.13364	12.5
340.14194	1.7
341.15057	1.3
342.12488	1.3
351.13333	11.3
352.13974	2.2
353.14838	8.1
355.12869	1.1
356.13519	1.6
357.14435	1.3
358.15604	1.2
367.12457	1.2
369.14227	8.4
370.15454	1.8
371.15842	3.1
373.13559	1.1
379.12817	2.8
380.13708	2.3
381.14310	5.7
382.15091	1.2
383.15955	4.0
384.16879	1.4
387.14603	1.0
393.14362	1.1
395.15927	5.8
398.14728	3.1
399.15604	3.7
400.16544	5.3
409.13565	1.4
411.15454	10.1
412.16028	1.8
413.17050	7.9
414.17587	1.2
416.15564	2.3
419.16119	2.9
423.15436	2.8
424.16110	1.1
425.17154	1.9
427.18463	1.9
431.18027	2.5
432.18900	1.3
434.16940	1.3
435.15549	3.2
436.16452	1.4
436.22180	2.0
437.16943	6.3
439.14789	9.6
440.15689	5.5
441.16452	6.4
444.18863	3.3
445.13898	1.5
453.16476	8.7
454.17108	4.4
455.18057	21.5
456.18671	4.2
458.16882	1.9
459.17596	3.6
462.19992	1.7
463.14984	6.0
464.15778	1.8
465.16458	1.5
467.20013	2.7
471.17642	18.6
472.18314	9.8
473.19138	10.1
478.22961	1.3
481.15982	32.2
482.16760	14.9
483.17548	6.8
494.21710	1.2
499.17035	51.6
500.17688	15.6
501.18765	9.6
504.21805	1.3
513.18665	8.7
514.19324	1.5
515.20612	2.0
531.19702	27.4
532.20227	3.4
533.21063	4.9
544.24237	2.4
561.21057	1.1
562.25348	3.9
570.22205	4.1
580.18109	1.8
580.26532	20.5
588.23529	5.8
598.27356	12.5
601.26300	4.0
602.24347	3.7
606.24390	46.4
607.25067	2.2
619.26990	1.6
620.25488	1.7
624.25378	100.0
625.25403	3.5
638.27032	28.1
656.28027	70.1
657.28217	3.5
658.03650	1.3
661.28625	2.1
701.31335	1.8
709.28058	2.4
727.29578	11.3
728.28357	1.2
745.30200	8.6
759.31781	1.9
763.31671	20.4
764.30817	1.7
777.32831	1.6
781.32916	5.0
795.34332	5.5
813.35229	4.1
824.39679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.1
59.04985	0.9
61.02918	5.9
63.95688	0.3
65.03930	0.6
67.05496	7.0
69.03422	4.8
69.07052	3.1
70.06574	0.6
70.96153	0.6
70.96500	0.7
71.01345	0.5
71.04977	2.6
73.02905	4.1
74.84021	0.3
78.48145	0.3
79.05481	7.2
81.03411	5.7
81.07045	7.5
83.04970	1.8
83.08631	1.8
85.02892	5.5
85.06544	0.8
87.04462	0.7
91.03943	3.4
91.05466	7.6
93.07032	7.0
95.04958	3.7
95.08595	3.7
97.02879	5.2
97.06535	1.4
97.10190	1.0
99.04459	1.0
101.02367	2.1
103.03943	0.6
105.07014	5.3
106.67940	0.3
107.04965	1.0
107.08570	3.8
109.02869	1.2
109.06519	1.0
109.10157	1.4
111.04439	0.4
111.08080	0.8
117.07012	1.4
119.08566	3.5
121.06492	0.8
121.10118	2.2
123.08076	0.5
123.11707	0.5
125.09638	1.1
127.03898	1.8
129.05513	0.5
129.06935	1.6
130.71535	0.3
131.08539	2.7
133.06499	0.5
133.10127	3.1
135.08023	0.3
135.11708	1.0
137.05925	0.5
137.09598	0.5
143.08562	0.6
145.04974	0.4
145.10109	1.5
147.07996	0.4
147.11658	2.8
149.09575	2.1
149.13277	0.4
157.10147	1.3
159.11783	0.8
161.13249	0.7
163.11157	0.7
171.11743	1.4
173.04536	0.6
173.13187	0.5
175.11188	1.1
184.07420	1.0
185.04230	0.5
189.12700	0.4
191.14281	0.3
193.12196	1.6
197.15370	0.4
202.13957	0.3
203.05296	0.7
207.13826	1.0
211.13206	0.3
225.14928	1.2
233.11525	0.4
243.08348	4.8
243.10562	0.4
259.07922	0.4
267.15900	1.1
281.17459	1.9
283.15118	4.5
287.16498	0.6
301.08929	0.5
315.10892	0.4
333.20395	2.7
339.17676	1.5
389.22977	1.1
439.19220	1.6
453.21014	1.2
469.20447	1.1
475.12656	0.4
483.22504	0.4
487.30655	2.4
501.23010	16.3
502.23270	0.5
551.28198	9.7
567.33374	0.5
573.25433	0.9
631.35242	0.7
649.39172	0.4
713.37433	0.6
721.38806	0.6
811.44391	100.0
812.44965	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	813.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	2.2
70.34435	5.1
71.04974	0.9
73.02885	1.3
79.05466	1.1
81.03403	2.3
85.02902	2.3
91.05460	1.5
94.06552	2.4
96.08099	1.0
97.02866	1.9
98.21387	1.1
99.04402	1.0
106.06546	5.0
107.07334	1.0
108.08106	14.5
109.02846	1.2
113.88112	0.9
114.61160	0.9
120.04457	1.4
120.08105	1.5
122.06059	5.7
124.07575	22.6
127.03919	1.7
134.06010	2.9
136.07510	4.7
136.93735	1.1
140.07043	1.7
146.06018	7.2
148.07541	16.8
150.09099	2.7
152.07056	4.0
160.07501	2.2
162.09178	1.7
164.07047	9.8
166.08615	11.6
172.03923	4.5
174.05475	7.3
176.07068	5.9
178.08670	1.0
190.04968	2.2
191.05579	1.8
192.06511	2.5
194.08112	1.1
199.12144	1.1
201.10260	1.1
204.06491	7.7
206.08165	1.9
208.09674	5.7
209.10562	1.1
210.11505	2.8
211.12233	3.4
211.80725	1.0
212.12997	1.0
222.11371	2.4
223.12328	3.7
224.13029	2.4
225.10289	2.0
225.13838	3.7
227.11884	4.6
232.09651	1.2
235.08719	2.8
235.12260	3.5
236.09360	1.9
236.12915	1.5
237.10196	11.9
237.13780	6.0
238.10942	7.1
238.14545	1.8
239.11761	17.9
240.12524	4.3
241.13234	3.8
243.11246	1.7
245.12697	2.0
247.12245	1.6
248.09265	5.7
248.13011	1.1
249.10194	11.4
249.13814	1.1
250.10847	10.1
251.11766	39.1
252.12517	8.5
253.13322	31.7
254.13895	2.0
255.11249	1.1
255.14946	2.3
262.10767	2.8
263.11761	42.3
264.08987	1.4
264.12497	9.1
265.09732	14.5
265.13321	55.3
266.10355	3.8
266.14011	10.1
267.11246	6.4
267.14804	4.0
268.11838	4.0
268.15723	1.6
269.12830	6.4
271.14438	6.1
274.10712	1.3
275.11758	2.3
276.09097	1.9
277.09702	11.8
277.13260	3.5
278.10468	8.3
279.11252	75.1
280.11911	9.0
281.12750	11.3
282.13373	2.1
283.10660	1.2
283.14325	1.6
285.12228	1.6
287.13892	2.2
291.11206	21.3
292.11945	9.3
293.12808	25.5
294.13406	6.6
295.10745	10.9
295.14401	4.5
296.11496	3.9
297.12344	18.0
298.13004	2.5
299.13809	4.3
307.10663	1.7
309.12277	32.4
310.12912	24.6
311.13867	47.0
312.14456	9.3
313.15540	12.3
319.10782	16.6
320.11243	2.9
321.12314	11.6
323.13681	1.5
328.13931	7.9
329.14996	3.9
330.15817	1.2
336.11060	1.5
337.11761	37.5
338.12585	13.8
339.13327	17.9
340.14001	2.2
341.14822	1.7
344.17557	1.4
346.15466	1.3
351.13312	10.3
352.14178	1.8
353.14981	9.4
354.15747	1.5
355.16675	1.3
356.13742	1.4
358.15012	1.3
367.13089	1.2
369.14386	13.6
370.15112	4.7
371.16071	7.7
372.17029	1.8
374.14633	1.6
379.12738	5.8
379.16852	1.1
380.13922	1.5
381.14456	4.1
383.16016	5.2
384.17053	1.5
385.17764	1.2
393.14316	1.5
395.15997	6.3
397.17639	1.2
398.14801	3.8
399.15405	4.8
400.16385	3.7
405.14478	1.4
411.15414	11.2
412.16180	3.8
413.16840	8.3
414.18018	1.2
416.15671	2.2
417.15186	1.2
419.15878	2.3
420.16568	1.8
423.15460	1.7
425.16617	1.4
427.18823	1.5
431.18118	2.0
434.17105	1.7
435.15546	3.2
436.16748	1.7
436.22339	9.8
437.17136	6.5
438.17535	1.5
439.14944	10.4
440.15527	4.9
441.16394	7.8
443.17682	1.3
444.19058	1.7
445.13776	1.9
449.19037	1.2
453.16522	12.2
454.17303	7.0
455.18091	25.6
456.18942	5.5
458.16830	2.0
459.17441	4.4
462.20074	8.6
463.15073	5.8
464.15604	2.1
467.20120	3.0
471.17548	20.9
472.18362	7.4
473.18964	8.9
476.18054	1.1
480.21393	4.9
481.15961	32.3
482.16809	18.7
483.17615	8.2
494.22971	23.8
496.19177	1.1
499.17032	50.4
500.17789	16.4
501.18579	9.3
513.18774	8.8
514.19025	2.3
515.19806	3.1
531.19678	28.9
532.20337	3.6
533.21405	5.6
536.23816	1.6
544.24255	2.0
559.25403	1.2
562.25140	3.3
570.22577	1.5
580.26447	22.2
581.26447	1.5
583.25372	2.1
588.23260	5.6
594.24237	1.6
598.27539	11.7
601.26099	4.2
602.20844	1.5
606.24445	46.5
607.24640	2.7
619.27496	11.7
620.25616	2.4
624.25433	100.0
625.25726	7.5
638.26984	28.0
639.26001	1.9
651.30487	6.5
656.28040	73.9
657.28601	5.5
703.29407	1.4
709.28320	3.0
721.29871	2.0
727.29449	9.1
745.30493	12.3
759.31805	2.2
763.19141	1.6
763.31696	22.7
764.31897	1.6
777.32782	2.6
781.32629	6.4
795.34192	7.5
813.34955	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	811.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	0.7
65.03877	0.4
67.05428	0.9
69.03329	1.2
69.06965	1.3
69.07307	0.4
69.59586	0.4
70.06525	0.7
70.67130	0.8
70.67530	0.9
71.00108	0.4
79.05380	1.7
79.05797	0.4
80.04914	0.7
81.03308	1.5
81.06950	2.4
84.08040	0.4
85.02790	1.6
85.03233	0.4
91.05418	0.7
93.06970	0.5
94.06455	3.2
95.04874	0.8
96.04379	0.5
96.08020	1.0
97.02796	0.7
98.10659	0.4
103.05357	0.5
105.06937	0.4
106.06418	0.6
108.08095	3.0
108.08748	0.6
108.09003	0.3
109.02806	0.9
110.05949	1.0
112.03903	0.5
112.07485	0.5
120.04410	0.5
120.08018	1.0
122.06019	6.6
124.07563	4.7
127.03780	0.6
129.72218	0.4
130.08507	1.2
131.12714	0.4
134.05873	0.5
136.07433	1.4
137.05882	0.8
138.05389	0.9
138.09023	0.5
140.07027	5.7
142.08496	1.2
145.02736	0.5
146.05991	3.1
147.04263	1.1
148.07523	3.2
150.09012	1.0
152.07039	2.3
154.08508	1.3
160.07416	1.4
162.08992	0.5
163.03825	0.8
164.06969	0.9
166.08568	0.5
172.03819	0.9
174.05511	2.5
174.08899	0.5
176.07063	0.9
177.05388	0.8
178.05049	0.5
190.04890	0.7
190.08463	0.4
197.10580	0.5
204.06427	0.9
208.09628	0.4
210.11337	0.6
211.12204	1.7
212.12859	0.6
221.10559	0.8
222.11324	0.8
223.10403	0.4
223.12323	3.2
224.12823	0.9
225.10129	1.6
225.13837	3.0
226.10829	0.5
226.14403	0.7
227.11606	1.6
234.11617	0.5
235.08540	1.5
235.12231	2.0
236.09210	1.2
236.13060	0.6
237.10184	4.2
237.13765	2.3
238.10901	2.5
238.14459	0.8
239.11729	7.4
240.12523	2.6
241.13351	2.1
243.11200	0.7
247.12263	0.9
248.09189	1.8
249.10193	7.3
250.10983	6.5
251.11755	26.4
252.12491	6.5
253.13310	20.7
254.14079	2.8
255.11191	0.6
255.14754	0.9
262.10883	0.9
263.07813	0.6
263.08594	0.4
263.11752	18.8
264.08789	1.8
264.12350	5.3
265.09671	3.3
265.13315	22.0
266.10367	1.7
266.13934	6.0
267.11359	3.2
267.14673	2.6
268.12000	0.6
268.15536	0.7
269.12726	1.7
275.11658	3.0
276.08762	0.9
276.12363	0.8
277.09616	5.5
277.13205	2.2
278.10452	6.6
279.11249	31.3
280.11896	4.8
281.12738	4.6
283.10599	0.7
283.14221	0.6
285.12396	0.7
287.13815	0.7
291.11249	16.6
291.14502	0.6
292.11993	4.7
293.12787	22.6
294.10101	0.9
294.13391	3.9
295.10629	5.1
295.14276	4.3
296.11411	1.5
296.14410	0.6
297.12347	4.5
298.12955	0.8
299.14014	2.6
303.14908	0.4
305.12576	0.8
307.10629	1.6
307.14209	0.7
308.11420	0.7
309.12286	5.0
310.13025	2.5
311.13821	16.6
312.14514	4.9
313.12140	0.8
313.15460	7.1
315.13763	0.4
319.10745	14.3
319.14087	0.5
320.11456	3.7
321.12299	7.2
322.12775	0.6
323.10159	0.5
323.13782	1.6
325.11591	0.8
328.14374	0.5
329.15720	0.5
330.16153	0.5
331.13708	0.5
333.12131	0.7
337.11765	3.2
337.15244	0.6
338.12259	1.6
339.13394	4.9
340.14288	0.5
341.14972	0.9
342.16217	0.6
343.13675	0.5
344.14069	0.5
346.15317	1.4
351.13077	1.9
352.13968	0.6
353.14798	1.6
357.15607	0.9
358.15384	1.0
360.16946	1.1
363.13226	0.5
365.15009	0.9
367.12503	0.7
367.16647	0.5
369.14523	0.6
370.15250	0.6
371.16202	0.8
372.16946	1.2
374.18680	0.7
379.12701	1.4
380.13654	1.0
381.14352	1.3
383.15900	1.7
384.16711	0.5
390.17947	0.6
393.14340	0.8
395.15967	2.5
399.15582	0.5
400.16354	1.1
407.15872	0.9
411.15375	1.9
412.16013	1.2
413.16568	0.5
414.17908	0.7
416.19925	0.8
417.14163	0.5
418.17462	0.8
419.15659	1.0
423.15363	1.0
425.16882	1.2
432.18832	0.9
434.20468	1.7
435.15677	2.4
436.16428	1.2
437.17004	1.9
439.14740	1.1
440.15903	0.8
441.16577	1.7
442.17276	1.0
443.17780	0.7
445.13379	0.6
453.16556	6.0
454.17239	4.2
455.18073	4.3
456.18973	1.2
458.16946	0.7
459.17776	0.5
460.18622	1.3
463.14935	3.1
464.15506	1.6
465.16653	1.4
471.17517	3.0
472.18253	1.7
473.18988	0.7
481.16068	10.8
482.16644	8.2
483.17490	3.4
499.16791	1.5
500.17551	0.5
534.22754	0.5
554.24872	0.5
576.23315	2.5
577.22327	0.7
578.24805	0.7
579.22021	2.9
582.24341	0.9
586.22827	0.5
594.24371	30.4
595.24707	3.1
596.25946	13.8
597.26703	0.9
602.21130	0.4
604.23022	1.2
608.22052	0.7
610.23999	0.7
622.23865	94.7
623.24176	6.7
640.24957	8.7
641.25348	0.9
654.26471	100.0
655.26880	6.8
717.31927	0.5
743.28925	3.1
755.88190	0.4
761.29938	1.5
775.30914	0.6
779.31250	5.6
780.32068	1.1
811.33105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37559	0.8
65.03918	1.2
66.65101	0.9
67.05497	3.3
69.03416	3.5
69.07064	6.4
70.06596	0.9
70.16312	5.6
77.33930	0.9
79.05483	1.4
80.04998	0.9
81.03415	6.3
85.02870	1.8
85.88120	0.8
91.05438	2.6
94.06549	8.0
95.04978	1.3
96.04446	1.0
97.02882	2.6
99.04453	1.3
106.06530	3.8
108.08103	9.8
109.02870	3.9
110.06021	2.5
112.07593	1.6
115.67092	0.8
118.06547	1.2
119.04951	1.7
120.08089	3.3
121.05231	1.3
122.06014	26.9
122.09641	1.2
124.07555	1.8
127.03922	2.4
130.08624	6.5
131.08961	1.2
132.08075	1.4
134.05997	3.3
134.09648	1.3
136.07559	5.3
138.05490	2.3
140.07039	28.3
144.04424	1.0
145.02722	1.2
146.05988	11.7
147.04402	4.0
148.07550	23.0
150.05534	1.4
150.09167	3.0
151.03870	8.1
152.04190	2.1
152.07036	7.9
154.08597	1.3
160.07579	2.1
162.05438	1.1
162.09143	3.6
164.07127	5.4
166.08606	6.1
168.45415	0.9
172.03920	13.9
172.07625	1.2
173.04543	1.2
174.05487	14.8
174.09138	1.4
176.07054	9.5
177.05368	1.3
178.08630	1.9
180.10182	1.3
190.04950	6.3
190.08543	1.2
191.05743	2.3
192.06558	4.1
197.10765	1.5
199.08624	1.5
199.12346	1.1
200.07042	1.5
201.10236	2.4
202.08661	1.5
204.06548	14.7
205.06929	1.5
206.08104	3.7
207.06628	1.4
208.09743	4.6
209.10689	2.0
210.11499	6.2
211.08725	1.2
211.12202	5.9
212.12990	2.6
213.10202	1.5
213.13693	1.4
217.13248	1.2
221.10786	2.0
222.11406	2.2
223.12271	5.2
224.12971	1.8
225.10210	4.5
225.13802	6.4
226.10849	2.0
227.08183	1.2
227.11763	5.5
234.11432	1.9
235.08589	2.7
235.12288	4.0
237.10159	8.6
237.13930	3.0
238.10915	8.1
239.11761	23.3
239.15373	1.3
240.12439	5.6
241.09650	1.9
241.13416	3.2
243.11264	4.2
244.11636	1.3
245.12898	1.5
248.09421	3.4
249.10179	8.7
249.13893	1.2
250.10896	9.2
251.11758	32.1
252.08736	1.3
252.10014	1.2
252.12537	12.4
253.09570	1.5
253.10428	1.2
253.13353	20.8
254.14059	3.7
255.11212	1.6
257.12845	1.0
261.12375	4.0
261.46011	1.1
262.10892	2.2
263.08670	1.7
263.11740	22.7
264.09027	2.5
264.12558	7.8
265.09726	8.4
265.13354	26.6
266.10461	5.7
266.14017	8.2
267.11264	9.0
267.14886	4.2
268.11807	2.8
268.15710	2.5
269.12762	5.3
270.13681	1.3
271.10718	1.8
271.14413	3.9
274.10727	4.8
275.11722	3.8
276.12601	1.6
277.09695	9.2
277.13324	6.3
278.10498	9.5
278.13629	1.5
279.11240	100.0
280.11938	17.9
281.09717	0.9
281.12778	20.4
282.13449	2.7
283.10886	1.9
283.14432	2.8
284.11563	1.4
284.14911	1.2
285.12292	6.6
286.12744	1.4
287.13916	11.3
291.11234	11.4
292.11786	8.0
293.12775	22.8
293.15973	1.9
294.13486	4.3
295.10794	4.8
295.14392	6.5
296.11572	1.5
297.12302	24.9
298.12997	4.9
299.13840	7.2
303.11142	1.9
305.12589	1.6
307.10690	2.3
307.14081	1.3
309.12299	12.6
310.12848	19.1
311.13824	30.5
312.14526	3.8
313.11774	6.0
313.15463	7.5
319.10687	11.7
321.12280	14.4
322.13089	2.0
323.13824	3.8
324.11041	1.2
324.14529	1.4
325.11673	1.7
325.15378	1.4
330.15854	1.2
331.13110	2.3
333.12439	1.7
336.10748	2.3
337.11841	9.1
337.15710	1.3
338.12463	3.5
339.13321	15.1
340.14035	1.8
341.14816	4.9
342.15933	1.4
345.14474	6.0
346.14914	2.1
351.13385	4.3
352.13925	1.1
353.14847	4.2
354.15588	1.7
355.16763	1.4
356.13937	1.4
357.15332	1.6
358.15433	2.6
360.17026	1.3
365.15097	2.3
367.12573	1.6
367.16776	2.0
369.14355	5.7
370.15213	2.4
371.15897	3.4
372.17331	1.5
374.14792	2.7
375.15448	1.1
377.14761	1.8
379.12454	2.3
380.13361	1.3
381.14340	3.1
382.15411	1.2
383.15823	1.9
384.12943	1.4
387.15182	2.2
388.16284	1.6
393.14102	2.1
395.16144	6.9
397.17563	2.7
398.14832	3.3
399.15714	3.4
400.16541	4.6
401.14676	1.2
405.14371	1.5
409.17731	1.8
411.15359	1.7
412.16226	1.8
413.16937	6.8
414.18414	1.3
415.18695	3.1
416.15814	4.6
417.15778	2.9
418.16861	4.0
419.16183	2.5
422.14774	1.3
423.15448	4.8
425.16891	1.5
426.17950	1.4
427.18408	1.5
429.16479	1.6
431.18054	3.5
432.19666	1.2
434.16705	1.9
435.15256	4.6
437.17145	8.7
438.17789	1.3
439.14401	1.3
440.15540	1.7
441.16458	16.9
442.17255	4.1
443.17563	2.9
445.13748	1.3
447.15671	2.1
449.18900	3.0
452.21506	3.0
453.16483	12.6
454.17291	5.5
455.18066	23.2
456.18869	5.7
457.19662	2.7
458.16977	2.9
459.17953	1.7
463.14966	8.8
464.15536	2.5
465.16608	5.4
466.17447	1.2
467.19910	3.6
471.17316	1.5
473.19058	1.7
476.18405	1.3
477.17065	1.2
478.19568	3.2
481.16034	34.8
482.16794	14.3
483.17584	22.7
484.17984	2.4
499.16977	4.1
500.17822	2.1
501.18185	1.7
513.18579	8.3
515.20026	8.7
534.22791	1.4
543.19507	1.2
558.22571	1.1
560.24023	5.1
576.22827	3.2
578.25287	6.9
580.23267	1.4
584.20514	3.0
586.21881	7.6
594.24811	4.5
596.25983	32.9
597.26697	2.1
599.24823	1.8
602.21088	4.1
603.21942	1.5
604.22906	9.2
610.23639	1.3
614.26831	4.3
617.25647	3.2
620.21973	7.4
621.22534	2.0
622.23877	61.0
623.24615	5.1
636.25720	1.4
638.23224	12.7
639.24011	4.0
640.24786	7.5
649.27698	1.3
654.26440	21.6
659.26807	1.2
670.25708	1.7
671.26727	1.7
677.28619	1.1
699.29681	2.5
707.26996	2.3
717.30914	3.1
725.27893	8.5
726.28235	1.7
735.32220	14.4
743.29102	25.0
744.29089	2.7
761.29883	18.6
762.29565	1.4
775.30786	2.4
779.31152	58.9
780.31635	5.8
793.32208	3.4
811.33856	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	809.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.1
59.04993	1.3
61.02919	6.2
65.03919	0.5
67.05494	8.1
68.05817	0.5
69.03414	4.1
69.07049	3.3
69.68906	0.4
70.06584	1.4
71.01330	0.7
71.04989	2.5
71.79295	0.5
71.79694	0.7
73.02913	4.3
79.05489	5.7
80.05826	0.6
81.03406	6.2
81.07032	8.5
82.07393	0.5
83.04970	2.3
83.08595	2.1
85.02888	6.5
85.06540	0.5
86.09710	1.1
87.04476	0.7
91.03956	3.0
91.05473	8.2
93.07027	5.2
95.04938	3.7
95.08597	4.7
97.02884	5.6
97.06536	2.0
97.10159	0.6
99.04456	1.3
101.02386	1.8
105.07008	4.9
105.52623	0.4
107.04950	1.8
107.08579	4.6
109.02857	1.2
109.05849	0.5
109.06528	1.7
109.10133	2.8
111.04454	0.4
111.08053	0.6
117.07001	1.4
119.08574	3.4
121.06490	0.8
121.10110	3.7
123.08072	1.5
123.11710	0.9
124.07594	0.5
127.03907	1.9
129.05457	0.8
129.06993	1.3
131.08562	3.5
132.08899	0.5
133.06488	0.6
133.10114	4.2
134.10448	0.4
135.08038	0.9
135.11722	1.1
145.10126	0.8
147.08049	0.7
147.11682	2.5
149.09570	3.1
151.11198	1.2
157.10103	2.2
159.11668	0.7
161.09642	0.8
163.11197	0.6
171.11642	0.5
175.11160	2.2
184.07333	0.8
185.04303	0.8
193.12238	2.7
197.15353	0.6
201.61763	0.4
203.05338	0.9
225.14894	0.7
229.14342	0.5
243.08331	4.3
259.07990	0.6
267.16019	1.3
268.16376	0.8
273.18546	0.4
275.20142	0.5
283.15027	4.5
291.19815	0.7
307.82629	0.4
313.17670	1.6
315.10410	0.6
331.18771	2.8
339.18033	1.2
369.20273	0.6
387.21320	0.8
441.20898	0.6
451.19406	2.1
469.20770	1.2
471.12427	0.5
490.27924	0.4
501.15732	0.7
501.23019	14.2
502.23428	1.1
531.25604	3.2
544.37158	0.6
549.26373	3.2
568.35364	0.6
573.25061	2.2
639.29614	0.7
711.35205	1.7
740.35083	0.8
791.41669	6.3
792.40784	0.6
809.42670	100.0
810.42975	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	811.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15527	0.6
67.05473	1.7
69.03382	2.6
69.03720	0.6
69.07059	4.6
70.06563	0.9
70.19872	3.1
70.81640	0.6
72.08070	0.9
81.03402	8.4
83.04942	1.2
85.02850	2.9
86.05988	0.7
91.05431	1.4
94.06558	7.2
95.04906	2.0
97.02838	2.8
99.04391	1.2
106.06528	4.3
108.07469	0.6
108.08093	7.6
109.02861	16.8
110.05966	1.8
111.86503	0.6
112.07555	1.2
114.09109	2.2
114.10256	1.3
116.04888	1.1
119.04877	0.9
120.04401	1.2
120.08054	2.1
122.05204	1.2
122.06007	16.7
123.04430	1.5
124.07516	2.2
127.03863	2.3
130.08618	0.9
132.08006	0.9
134.05937	1.9
136.07542	6.7
137.05930	1.1
138.05434	2.0
140.06021	1.3
140.07040	25.0
144.04420	1.1
144.08104	1.1
145.02788	1.4
146.05984	9.0
146.09549	1.7
147.04420	3.8
147.06642	0.7
148.06450	1.4
148.07542	18.1
150.05421	0.7
150.09056	2.7
150.10231	0.6
152.07033	6.5
154.08563	1.7
158.06055	0.8
160.07489	1.6
160.09628	1.0
162.05449	2.2
162.09044	2.4
163.03885	1.7
164.07028	13.0
166.08611	11.8
172.03912	10.1
172.07581	1.5
173.04721	0.9
174.05466	11.1
176.07054	8.8
177.05420	1.3
178.04858	0.7
178.08536	1.5
188.06940	1.0
190.04970	4.8
190.08546	0.9
191.05600	0.9
192.06410	2.0
192.99402	2.4
196.09903	0.8
197.10609	1.4
200.06792	0.7
202.08601	1.0
204.06543	14.2
205.06857	1.0
206.08055	3.3
207.06735	1.0
208.09630	3.7
209.10690	1.8
210.11473	4.6
211.08612	1.3
211.12164	5.3
212.09293	0.8
212.12897	1.0
213.10033	0.8
213.13745	1.0
215.11690	0.7
216.10101	1.5
218.08087	0.9
220.09848	0.9
221.10699	2.3
222.11465	1.8
223.12207	4.6
224.12976	2.9
225.10297	3.3
225.13780	5.8
226.10846	1.3
226.14450	1.0
227.11772	4.2
228.10213	0.7
230.07986	0.9
232.09700	1.1
235.08603	2.3
235.12173	4.3
236.09151	1.6
236.12952	1.5
237.10193	12.2
237.13753	6.3
238.10817	6.9
238.14587	1.4
239.11739	20.0
240.12508	4.0
241.09660	0.9
241.13240	2.6
243.11255	2.4
245.12662	0.9
246.07489	0.8
246.11272	1.2
247.12286	1.9
248.09235	5.7
248.13091	1.1
249.10172	12.5
249.13852	1.1
250.10869	10.5
251.11755	42.0
252.12425	12.9
253.10561	1.2
253.13319	20.3
254.13805	2.2
255.11176	1.9
255.14778	1.0
261.09985	1.3
261.12375	2.7
262.11002	2.4
263.11746	44.2
264.09149	1.2
264.12448	12.1
265.09720	12.5
265.13306	49.3
266.10382	5.0
266.14020	14.1
267.11304	6.6
267.14261	4.6
268.11819	2.3
268.15607	1.1
269.12936	5.0
270.13409	0.8
271.10767	1.4
271.14331	1.9
274.08444	0.7
274.10776	8.7
275.11618	4.6
276.12463	1.1
277.09665	11.0
277.13297	6.1
278.10449	10.5
278.13605	1.3
279.11224	92.8
280.11902	14.7
281.12790	9.8
282.13351	2.0
283.10675	2.1
283.14319	2.9
285.12241	3.7
286.13184	1.0
287.13849	9.4
290.10019	0.8
291.11237	17.6
291.14496	0.7
292.11914	12.0
293.12787	33.0
294.13513	8.0
295.10724	9.9
295.14319	5.5
296.11514	4.1
296.14740	0.9
297.12274	22.3
298.12811	4.0
299.13882	2.8
300.12299	0.8
301.13190	1.2
303.11267	2.5
303.14856	0.7
304.11926	0.9
305.14929	2.5
307.10626	2.6
307.14243	1.2
308.11270	2.6
309.12286	45.6
310.12894	25.2
311.13821	43.9
312.14435	7.1
313.11761	6.5
313.15442	4.0
314.12183	0.8
317.12714	0.8
319.10751	16.4
319.14291	0.7
320.11444	5.4
321.12292	14.1
322.12851	2.2
323.10352	1.2
323.13968	2.9
324.11017	0.8
324.14597	1.7
325.15347	1.0
331.13290	2.9
333.12076	1.6
335.10156	1.0
335.13815	1.7
336.10764	3.6
337.11768	45.5
338.12497	19.4
338.15616	0.7
339.13312	19.3
340.13852	2.0
341.15082	1.5
342.12482	1.5
343.13736	0.9
345.14511	5.1
349.15686	0.9
351.13272	6.0
352.14188	3.1
353.14932	4.4
354.15698	1.3
355.13126	2.0
356.13666	1.7
358.15552	2.3
359.13837	1.0
365.14969	1.6
367.12521	1.1
369.14368	17.2
370.15216	4.6
371.16028	7.0
372.17126	1.0
373.15497	1.1
374.15057	2.5
375.13287	1.7
377.14972	1.7
379.12756	2.3
379.16837	1.7
380.12964	0.8
381.14401	2.9
382.15530	1.0
383.16208	1.2
384.13297	2.1
387.05408	1.8
387.13217	1.2
389.14954	2.3
391.16516	1.0
393.14328	1.5
394.14841	1.1
395.15958	7.9
396.16681	1.0
397.17709	1.7
398.14716	4.0
399.15674	3.6
400.16519	5.2
401.14151	0.9
405.14642	3.2
407.16132	1.9
411.15430	2.6
412.16507	1.1
413.16980	2.8
414.17963	1.0
415.18765	1.4
416.15921	2.7
417.14352	6.0
418.16861	2.1
419.15799	8.3
420.16632	1.4
421.18106	0.9
422.14792	1.0
423.15552	3.2
425.17068	1.8
426.17676	1.1
430.17575	1.3
431.18127	2.1
434.16724	1.3
435.15332	5.9
436.16299	1.3
437.17050	5.5
439.14914	2.6
440.15784	3.3
441.16501	6.6
445.13959	9.7
446.14386	3.4
447.15280	4.4
450.20038	1.0
452.15970	1.4
452.21631	9.7
453.16568	16.7
453.22046	1.1
454.17212	9.2
455.18079	11.6
456.18600	2.2
458.17123	2.3
460.18265	2.1
463.14893	7.3
464.15421	4.0
465.16214	3.2
467.20053	2.0
476.18137	3.1
477.16309	4.7
478.19794	11.6
479.18616	1.3
481.15979	54.1
482.16666	23.5
483.17529	17.5
484.18103	1.9
485.19217	1.0
492.20865	0.9
494.19208	1.2
495.17529	2.3
496.20215	3.0
497.19464	2.5
499.16656	1.4
501.18869	1.3
510.22348	27.0
511.22864	2.3
513.18561	19.9
514.19373	3.4
515.20233	7.8
516.20526	1.2
552.23346	0.9
558.21838	1.7
560.23944	16.9
561.23755	2.7
568.20703	1.4
575.24744	1.2
578.25024	5.1
584.20386	1.5
586.21771	15.2
587.22009	1.7
594.24255	2.9
596.25958	15.7
597.26068	1.0
599.24872	2.6
600.24158	1.2
602.21045	4.1
603.21857	1.5
604.22620	11.4
605.24054	1.5
610.23419	1.1
617.25922	12.8
618.24518	17.2
619.24817	2.1
620.22351	2.5
622.23865	100.0
623.24237	12.0
624.24994	1.4
635.26923	9.7
636.25525	9.2
637.26025	1.4
638.23352	2.6
639.23572	2.2
640.24908	3.1
641.26251	0.8
649.28546	1.8
654.26471	77.9
655.26672	10.9
667.29645	4.3
671.27258	0.8
677.28210	1.3
707.26624	2.7
719.28839	1.4
725.27563	3.7
735.32538	1.0
743.29089	15.4
744.29480	2.3
757.29266	1.0
761.30212	10.1
762.29462	1.6
775.31274	2.9
779.31281	25.3
780.31311	3.1
793.32849	1.5
811.33771	10.0
812.34149	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	809.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.9
59.04994	1.0
60.04200	0.4
61.02915	5.2
65.03915	0.6
66.77253	0.4
67.05490	7.7
68.05807	0.6
69.03418	4.2
69.07056	3.3
70.06574	1.3
71.01345	0.7
71.04994	2.4
71.79003	0.5
73.02910	4.2
75.18283	0.4
78.75298	0.4
79.05481	5.6
81.03403	6.7
81.07041	8.0
82.74896	0.4
83.04990	1.6
83.08595	2.8
85.02892	6.2
85.06535	0.9
86.09702	0.7
87.04470	1.4
91.03937	3.1
91.05464	6.1
93.07024	5.9
95.04943	3.1
95.08593	3.3
96.08107	0.6
97.02876	5.8
97.06509	2.0
97.10157	1.6
99.04487	1.0
99.08138	0.4
101.02376	2.5
103.03938	0.5
105.07005	4.0
106.07362	0.5
107.04948	1.5
107.08580	4.2
109.02872	1.2
109.06533	0.7
109.10119	3.1
111.04441	0.5
111.07385	0.4
111.08086	1.5
117.07037	1.5
118.68726	0.4
119.08556	3.0
121.06490	1.0
121.10130	2.8
121.54852	0.4
123.08051	0.6
123.11722	0.7
125.09606	1.2
127.03893	1.4
129.07021	1.4
131.08551	2.0
133.10109	3.6
135.08058	0.9
135.11684	1.0
137.05954	0.5
141.16199	0.4
142.07735	0.5
145.10138	0.9
147.08086	0.7
147.11679	2.0
149.09535	2.1
149.13231	0.6
151.11197	0.7
157.10155	1.6
159.11703	0.9
165.12782	0.6
173.11743	0.5
175.11234	1.5
177.12819	0.4
184.07281	0.5
185.04276	1.4
189.11220	0.6
193.12204	2.3
203.05280	0.8
211.13338	0.7
223.13364	1.3
225.14929	0.6
227.12939	0.5
229.14568	0.5
243.08379	5.5
253.14157	0.5
257.18719	0.4
257.42908	0.5
267.15991	1.6
273.18451	0.4
275.20251	0.7
283.15115	4.8
291.19431	1.9
303.03778	0.4
326.45273	0.4
331.18771	2.8
339.17929	1.2
382.87146	0.4
387.21585	1.2
441.20657	0.6
451.19510	0.8
469.20590	0.7
471.22269	0.6
501.22995	20.3
502.23471	1.2
535.26221	0.4
543.22644	0.4
544.37775	0.8
549.26654	9.3
550.27197	0.5
562.37726	0.4
573.24091	0.5
611.35358	0.5
647.37762	0.7
700.50287	0.5
809.42755	100.0
810.43011	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	809.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93707	0.6
67.05480	1.0
69.03378	1.7
69.07046	2.9
70.25598	1.8
70.26015	1.2
77.03915	0.5
80.04950	0.6
81.03366	2.4
85.02840	2.4
91.05431	1.1
94.06542	3.5
95.04897	1.6
96.54542	0.6
97.02838	1.7
98.88361	0.6
99.04376	0.8
102.92442	0.6
106.06550	2.7
108.08092	14.1
109.02823	1.0
111.04408	0.7
112.07584	0.7
114.25439	0.5
115.03873	1.2
120.08057	1.6
122.05997	9.5
122.09570	0.8
127.03870	1.0
132.08058	0.6
134.05928	1.7
134.09601	0.8
136.07561	5.7
138.05391	0.8
139.03868	0.8
140.07042	11.7
144.04395	0.8
144.08046	0.7
145.06606	0.6
146.05968	5.9
148.07535	8.1
150.09155	3.1
152.07028	2.7
160.07507	1.3
162.05447	1.0
162.09076	2.3
164.07031	2.3
166.08594	4.3
167.07007	1.8
172.03925	7.0
172.07524	0.5
174.05499	4.7
174.09087	1.1
175.06001	1.4
176.07037	6.2
178.08636	1.3
188.06987	0.6
190.04929	2.3
190.08574	0.9
191.05721	0.7
192.06499	0.9
197.10622	0.9
198.09068	1.0
198.11513	0.8
199.12146	0.7
204.06534	9.3
206.08107	2.6
206.97214	0.6
208.09685	4.6
209.10614	1.1
210.11401	1.5
211.12209	4.6
212.12975	1.8
213.13887	0.6
221.10645	1.4
222.11366	1.6
223.12277	3.6
224.09300	0.8
224.13008	2.3
225.10158	2.7
225.13788	2.3
226.10983	0.8
227.11778	2.9
228.06546	0.6
229.13269	1.3
234.11320	1.0
235.08519	1.1
235.12248	2.7
236.09319	1.9
236.12898	0.9
237.10138	7.6
237.13850	2.5
238.10844	4.2
239.11731	16.3
239.15331	0.8
240.12407	2.3
241.13179	1.2
248.09386	1.9
249.10168	7.7
249.13718	0.7
250.10881	6.4
251.11755	29.0
252.12492	12.5
253.13304	17.7
254.13837	2.0
255.11145	1.3
257.41412	0.6
261.10092	1.4
262.10980	1.5
263.08847	0.8
263.11755	16.8
264.08875	2.1
264.12469	4.8
265.09653	8.4
265.13303	23.0
266.10458	6.3
266.13965	6.2
267.11203	6.3
267.14862	2.1
268.11807	2.2
268.15604	0.9
269.12845	2.6
271.14346	2.2
274.10651	2.8
275.11786	2.7
276.12302	2.0
277.09689	6.8
277.13272	6.3
278.10400	7.5
279.11224	100.0
280.11835	12.1
281.12781	24.3
282.13336	2.1
283.10602	0.6
283.14243	2.1
285.12271	2.0
287.13873	1.8
291.11176	8.0
292.11853	7.1
293.12766	13.8
294.13544	3.7
295.10675	4.0
295.14307	3.7
296.11490	1.9
297.12283	14.7
298.12854	1.8
299.13828	2.9
300.12088	0.8
305.12817	1.7
306.13290	0.7
307.10681	1.0
309.12213	8.4
310.12854	17.4
311.10303	0.7
311.13791	16.8
312.14508	3.3
313.11737	2.6
313.15417	3.9
319.10794	5.8
319.14395	1.0
320.11359	1.3
321.12283	16.9
322.12973	1.0
323.13687	2.5
325.11664	1.0
325.15540	0.8
331.12869	1.2
331.16467	1.5
336.10797	0.9
337.11783	3.7
338.12555	1.6
339.13348	8.4
340.14117	1.5
341.14981	2.1
342.15524	5.0
345.14383	2.7
349.11914	0.7
351.13278	1.9
352.14331	0.7
353.14874	1.9
355.12766	0.7
356.13455	0.8
357.14697	0.7
358.15332	0.7
365.14951	1.3
367.16699	0.7
369.14490	2.9
371.16016	1.4
379.12460	1.1
379.16730	1.0
381.14368	1.7
386.14795	0.8
388.15924	0.6
393.14355	1.3
395.15958	2.7
397.17517	2.4
399.15228	0.7
400.16605	3.8
402.18149	1.2
405.14505	0.7
407.15964	0.8
411.15479	1.5
413.17023	0.8
415.18423	2.6
419.16043	1.2
423.15311	3.3
424.16434	0.7
425.17139	1.7
431.17432	0.8
433.19611	3.9
435.15363	2.5
437.16742	3.7
438.17780	1.0
439.14346	0.9
440.15515	1.3
441.16464	10.1
442.17310	1.9
445.14233	0.8
447.15604	1.4
452.21918	0.9
453.16452	5.2
454.17334	2.4
455.18164	1.5
460.18762	1.7
463.14905	4.1
464.15793	2.0
465.16415	3.2
465.22345	2.6
467.18015	1.0
469.19922	0.9
471.17517	0.9
473.19171	5.2
474.19446	1.4
478.19662	1.0
481.16034	15.1
482.16760	6.6
483.17545	13.4
484.18375	0.9
485.19022	4.4
486.20062	3.3
487.20889	0.8
495.17447	1.3
496.18738	0.7
497.19055	1.6
502.19839	1.1
513.18634	36.3
514.19116	8.5
515.20178	21.1
516.20691	1.8
542.22095	0.8
545.21259	5.0
546.21564	0.6
547.22827	12.4
548.23383	1.0
560.23767	2.2
562.22125	0.9
568.20471	1.8
569.21771	0.6
578.25604	2.7
583.25024	1.4
586.21930	7.4
587.22046	1.0
600.23816	0.9
604.22784	11.0
605.23224	1.6
618.24548	2.4
622.23840	24.7
623.24219	2.4
624.25696	0.7
636.25378	11.5
637.25958	2.1
642.27148	0.7
643.27545	1.4
654.26422	96.1
655.26770	10.4
656.27740	1.2
668.27728	1.1
683.30737	0.7
686.29022	15.3
687.29352	2.1
691.27600	1.5
692.26526	0.7
709.28479	10.3
710.28107	0.8
727.29663	5.8
745.30585	10.6
746.30682	1.3
759.31360	0.9
765.67181	0.7
777.33118	17.1
778.33301	2.2
809.35553	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	809.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66134	0.7
64.14470	0.8
65.03915	1.2
67.05505	1.7
69.03412	2.9
69.07064	7.0
70.06579	2.6
70.09681	4.1
72.08151	0.8
79.05491	1.8
81.03390	4.5
82.06570	1.0
83.04973	1.1
85.02883	3.7
86.09662	1.1
86.39683	0.8
92.05028	0.9
93.05760	0.9
93.07003	1.0
94.06548	9.7
95.04944	2.8
97.02880	1.6
99.04448	1.4
107.04970	1.6
108.08115	6.4
109.02867	4.1
110.06013	1.1
112.07582	2.6
114.09151	1.8
114.10297	1.7
116.04966	1.9
118.06520	1.6
120.04448	1.2
120.08092	2.3
121.05244	1.1
122.06014	32.0
123.04427	1.6
124.07549	2.1
127.03902	3.4
130.06535	1.1
130.08620	4.9
132.04489	0.8
134.06000	2.5
135.04434	1.1
136.07553	1.5
137.05986	1.9
138.05505	2.2
140.07047	39.9
141.07600	0.7
144.04424	3.8
144.08064	1.0
145.02837	0.9
145.05124	0.7
145.06410	0.8
146.05984	20.7
146.09677	1.0
146.46217	0.7
147.04399	3.1
147.06779	1.9
148.07541	9.5
151.03925	1.7
152.07050	2.4
156.36073	0.8
158.06021	1.2
159.09186	0.8
160.07582	1.9
160.09711	0.8
160.27762	0.8
162.05496	4.8
162.09094	1.1
162.70407	0.7
163.06232	1.4
164.07066	1.1
167.07170	0.7
168.44725	0.7
172.01704	0.9
172.03928	23.2
172.05327	1.6
172.07632	1.1
173.04633	2.2
174.05495	29.2
174.09236	0.8
175.06151	1.2
176.07036	14.1
177.05435	2.5
177.07826	2.0
181.08632	0.9
183.09146	1.1
184.09859	1.0
185.10796	1.0
186.09155	1.3
187.12326	2.8
188.07076	2.5
190.04938	8.8
190.08556	0.9
191.05736	2.3
191.08359	1.3
192.06508	4.4
196.07451	0.9
197.10719	3.1
198.07646	0.8
198.09175	2.1
198.11430	0.7
199.08643	4.5
200.07193	0.9
200.09306	0.9
202.08551	0.9
204.06535	38.4
205.06844	1.1
206.08078	11.2
211.08572	3.6
211.12227	1.6
212.09299	1.3
213.10187	7.1
214.10942	1.9
215.11809	8.9
216.10226	2.1
224.09373	1.6
225.10233	10.2
226.08623	2.3
226.11009	2.6
227.08188	2.0
227.11667	3.8
228.06595	0.9
228.12447	1.1
232.77916	0.8
236.09215	0.9
237.10278	4.6
238.10925	2.6
239.08156	0.9
239.11824	6.1
240.10252	1.4
240.12492	1.2
241.09732	4.5
241.13301	1.5
243.11263	48.8
244.09503	1.0
244.11702	1.1
249.10210	2.8
250.11005	1.5
251.08197	1.8
251.11931	4.0
252.12660	1.9
253.09683	4.4
253.13387	1.6
254.10513	1.2
255.11278	4.1
256.12070	1.4
257.12866	4.5
259.10751	0.8
261.12384	2.8
263.08197	3.3
263.11826	2.3
264.08856	2.2
264.12714	1.2
265.09711	9.8
266.10480	4.1
267.11179	5.8
268.13263	0.9
269.09235	5.1
269.12866	2.7
271.10638	3.8
273.12399	1.2
274.13251	0.9
277.09665	3.8
278.10541	1.4
279.11145	7.6
280.12051	2.4
281.09247	1.8
281.12717	2.1
283.10742	7.6
284.11496	1.6
285.12292	25.1
286.12933	0.9
287.05402	1.5
287.10287	10.5
287.13940	8.8
288.11401	0.9
289.12845	0.8
290.13004	1.2
291.11343	1.1
293.09189	1.2
295.10776	2.7
297.12308	2.7
298.12946	1.8
299.10345	1.3
299.13916	1.9
300.15109	1.1
301.12192	2.5
302.12848	2.7
303.13452	8.9
304.14377	3.6
305.09222	1.0
307.10669	1.5
309.12332	2.2
311.10336	2.0
313.11792	20.4
313.15155	0.7
314.12708	2.3
314.16541	1.9
315.13464	3.8
316.10803	2.1
316.14389	5.5
317.11902	1.3
317.15256	2.3
318.12637	1.3
318.15952	6.6
319.16794	3.4
320.17654	1.0
323.10297	1.1
325.11777	2.7
326.12708	1.2
327.13416	3.5
328.10977	1.2
328.14294	2.3
329.11539	3.7
329.15308	1.5
330.12341	5.8
330.15640	4.0
331.12994	10.4
332.13742	2.9
332.17587	3.7
337.11792	1.4
339.13351	1.1
340.14490	1.5
341.12024	1.6
341.15668	1.4
342.12112	1.6
342.16196	1.9
343.13351	4.3
344.13910	10.1
344.17697	0.7
345.14447	39.6
346.15460	11.9
346.19333	1.5
347.16284	6.2
348.17017	3.0
351.13135	0.9
354.12286	1.8
354.16104	1.4
355.12988	3.5
356.10147	1.7
356.14148	4.0
357.10919	2.0
357.14780	3.1
358.11664	3.0
358.15515	10.5
359.16425	4.8
360.13257	1.3
360.17065	13.2
361.18015	1.1
362.14944	0.9
363.15567	3.0
367.13040	1.4
368.13922	2.3
369.15100	3.8
370.11392	5.1
370.15509	3.3
371.12393	7.4
371.16815	1.7
372.13300	17.6
372.17188	1.9
373.14017	9.2
374.14890	13.7
374.18845	1.2
375.15683	1.4
376.16559	3.6
378.18036	1.6
382.15869	1.3
383.12335	1.2
384.13058	1.9
384.17093	2.2
385.13916	7.8
385.18481	1.1
386.14929	32.1
387.15710	21.7
388.16495	20.7
389.17218	1.8
390.18063	2.1
391.14957	0.9
393.14438	2.1
394.11777	0.9
394.73343	0.9
395.16223	1.1
396.13480	1.9
397.14114	2.5
398.14981	2.2
399.15833	1.4
400.12527	3.0
400.16479	4.5
401.13199	2.0
401.17749	2.0
402.13846	6.5
402.18878	1.3
403.14954	1.5
404.15665	4.3
405.16647	1.3
406.17447	3.7
408.18893	1.6
410.14792	1.6
411.15515	19.0
412.16418	3.1
413.13272	1.1
414.14386	30.0
415.15228	37.6
416.15988	52.5
417.16510	3.3
418.17532	3.0
420.19208	1.4
427.15018	2.0
428.15884	7.3
429.16580	25.2
430.17703	6.5
432.14902	1.3
432.19711	1.6
433.16205	2.6
434.17081	3.9
438.14401	3.1
439.14923	1.6
440.16449	1.2
441.16205	0.9
442.17596	1.3
443.18118	0.9
446.16891	7.0
447.17657	23.4
448.18549	5.9
450.19830	1.1
456.15561	7.5
457.16113	2.7
458.16974	3.5
460.18707	1.5
465.18829	4.3
472.18655	2.2
474.16296	6.3
475.17160	3.3
476.18054	4.1
478.20178	1.2
486.19778	0.9
488.18066	3.6
489.18909	1.5
490.19855	1.8
498.17017	1.0
504.21185	1.1
506.18954	2.0
508.20526	1.0
514.19202	1.6
516.16888	3.6
517.17975	1.1
518.19061	1.5
520.20416	0.9
530.18951	1.7
532.20392	2.5
535.18835	1.0
536.19818	1.9
542.19733	1.9
548.20349	3.0
550.21710	3.3
555.22113	1.4
556.20660	3.2
557.20575	1.0
558.18921	1.4
560.20361	1.9
562.20642	1.2
566.20935	1.3
568.22961	1.6
572.20288	2.0
573.21265	1.1
574.21594	3.0
576.19373	4.8
577.20331	2.2
578.20984	2.7
582.18652	4.1
583.19250	1.1
590.20935	3.3
591.22131	1.6
592.22485	3.0
593.23547	1.6
594.20270	1.0
595.21320	2.5
596.22211	2.7
597.23529	5.0
600.19470	6.7
601.20605	2.1
602.21106	1.3
608.22443	1.6
615.24249	10.5
616.24127	1.3
618.20715	26.3
619.21344	12.9
620.22095	6.0
631.27930	1.7
631.36993	1.0
633.22821	2.0
636.11017	1.4
636.21814	25.8
637.22559	12.4
638.23138	4.0
647.26471	2.2
650.23431	1.5
651.24542	1.6
657.25580	10.9
658.26062	1.2
668.24365	3.6
669.25049	1.9
679.27173	1.5
689.27753	2.9
695.27344	1.1
697.28992	7.8
699.26843	1.0
705.25739	3.6
715.29718	4.5
717.27478	1.8
723.13739	1.1
723.26434	21.3
724.26343	1.1
733.30829	6.1
741.27631	20.7
742.26685	1.5
755.28638	2.2
759.28644	100.0
760.28693	5.9
773.29999	2.6
777.29700	50.2
778.29480	2.3
791.31146	13.0
792.31561	1.0
809.31854	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	808.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41565	1.2
57.03181	1.9
57.03429	18.4
57.07056	5.5
59.04988	1.5
61.02902	2.5
65.03912	4.9
66.94559	1.1
67.05493	94.6
69.03421	2.5
69.07056	26.5
71.04973	4.4
72.62063	1.2
73.02905	1.5
79.05479	82.7
81.03412	1.5
81.07043	94.8
83.04960	5.8
83.08607	13.7
85.02856	2.1
85.06534	4.4
87.04408	1.8
91.05463	77.4
92.05818	1.3
93.07028	100.0
95.04960	13.6
95.08589	75.4
97.02905	1.4
97.06523	5.7
97.10188	7.1
99.08076	3.0
103.05462	2.2
105.07013	75.3
107.04928	1.6
107.08575	53.5
109.06487	5.0
109.10142	31.0
111.08068	3.8
115.05455	2.0
117.07002	25.5
119.08562	62.3
121.09248	2.2
121.10120	40.9
123.08033	1.9
123.11658	9.7
125.09623	2.7
128.06181	2.2
129.05481	1.3
129.06998	12.5
130.07797	1.8
131.08543	37.4
133.10104	46.2
135.08043	1.3
135.11671	31.6
137.09604	3.5
137.13200	3.0
141.06989	2.0
142.07735	2.0
143.08539	14.0
145.10110	27.1
147.11662	45.1
149.09554	2.5
149.13240	17.2
155.08510	3.4
157.10106	15.4
159.11668	27.4
160.09697	5.4
161.09561	1.6
161.13231	26.6
163.11108	2.4
163.14809	5.8
165.12727	1.7
169.10136	3.8
171.11659	16.4
173.13226	15.3
174.78911	1.3
175.11031	2.0
175.14816	13.3
177.12689	2.2
177.16365	2.5
183.11705	4.3
185.13237	12.2
187.14775	5.8
189.16246	2.0
197.13275	2.9
199.14787	5.7
201.16344	3.4
203.14275	1.9
209.13188	1.4
211.14778	2.7
211.23044	1.2
213.16362	3.8
215.18013	1.6
226.95631	1.4
227.17950	2.3
229.19466	1.6
231.17534	1.7
231.20996	8.8
239.17949	3.2
241.19479	23.4
243.21057	3.8
257.18918	9.0
259.20535	60.3
261.22153	10.9
271.20523	1.8
301.21725	1.9
315.23096	5.5
331.22485	2.4
333.24191	54.6
335.25778	80.0
336.25894	2.3
337.27307	4.1
367.22748	1.8
475.47357	1.5
503.36945	1.9
519.41736	4.6
537.43109	2.9
593.45782	10.3
611.46643	60.1
612.46753	1.7
701.47510	2.3
719.48682	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	23.5
57.07068	4.7
61.02910	6.7
62.90467	2.4
65.03907	5.1
67.05493	84.3
69.07057	23.4
69.56158	24.2
70.13528	2.1
71.04967	5.7
71.08594	2.5
79.05478	56.9
81.03374	4.4
81.07042	85.8
83.04939	3.4
83.08602	17.0
84.08144	2.7
85.02857	5.2
85.06507	4.3
85.64622	2.3
91.05466	50.6
93.07029	74.4
95.04942	8.5
95.08590	64.6
97.02876	3.7
97.06512	6.5
97.10139	5.1
99.08070	3.2
105.07004	42.6
107.08576	45.5
109.06448	5.6
109.10134	31.2
111.08047	3.5
114.09139	4.5
117.06989	13.6
119.08559	33.0
121.10131	36.5
123.08069	5.3
123.11675	7.9
125.09630	3.7
127.03819	2.5
129.06990	5.3
130.08640	3.0
131.08543	26.0
133.10114	28.9
134.10365	2.4
135.11653	23.5
137.13289	2.8
141.78394	2.2
143.08531	6.9
145.10092	22.3
147.11665	19.7
149.09572	2.7
149.13196	11.9
151.11226	3.2
157.10117	8.3
159.11642	13.7
160.09695	11.4
161.13261	14.9
163.14796	5.0
169.35358	2.4
170.92720	2.1
171.11649	7.3
173.13231	10.7
175.14781	4.3
179.14294	3.1
185.13246	7.0
187.14845	6.5
199.14798	3.7
205.15823	2.6
235.16829	2.3
241.19496	9.8
243.20964	2.4
259.20557	20.7
261.22025	9.7
277.21539	16.5
305.78656	2.2
333.24182	13.2
335.25748	100.0
351.25198	44.0
529.38776	5.0
593.45612	4.5
611.46576	46.0
711.39880	2.4
808.51294	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.1
61.76955	1.2
67.05495	3.3
69.03414	4.9
69.07064	7.9
70.06578	2.9
71.04992	1.3
71.79740	1.4
72.08143	2.6
73.02924	1.6
77.15347	1.1
79.05466	4.1
80.24163	1.0
81.03408	10.9
81.07037	2.4
82.06609	1.0
83.04978	1.8
83.08589	1.2
84.08115	1.9
85.02872	6.8
86.09637	1.3
89.03906	1.5
91.05471	6.3
92.31591	1.0
93.07035	2.7
94.06548	11.3
95.04956	5.2
95.08578	2.2
96.08121	1.1
97.02878	4.6
97.06546	2.0
98.06075	1.2
99.04419	2.9
100.11243	1.5
103.05433	1.4
105.07010	3.6
106.06510	1.9
107.04904	2.0
107.08600	1.6
108.08094	7.2
109.02856	4.0
109.06490	1.5
110.06013	1.4
111.04453	1.7
112.07611	2.6
114.09150	3.4
114.10248	2.8
115.09535	1.3
116.04990	1.9
117.03333	1.4
118.06499	1.8
119.04894	2.5
119.08552	3.0
120.04455	1.9
120.08122	2.7
121.06478	1.8
121.10096	1.7
122.05203	2.2
122.06020	30.0
123.04424	2.7
124.03871	1.4
124.07572	8.0
127.03892	4.1
130.08574	1.6
131.04947	1.3
131.08540	1.4
132.08054	1.3
133.06056	3.4
133.10048	1.3
134.05991	4.7
136.07549	5.4
137.05972	5.5
138.05511	1.6
138.09134	2.4
140.07040	30.9
144.04459	2.8
144.08061	1.7
145.02831	3.8
145.10048	1.5
146.05980	19.8
147.04391	13.0
147.11659	1.8
148.07542	7.2
152.07043	2.8
160.07524	2.0
161.05957	1.4
162.05502	3.7
163.03906	3.2
163.06244	2.3
164.07047	2.5
166.08559	5.5
167.07054	8.1
167.08293	1.4
168.07330	1.4
170.09618	1.9
172.03899	25.8
172.07405	2.1
173.04646	1.7
174.05481	27.5
174.09100	1.8
175.03828	2.2
176.07047	11.0
177.05441	5.4
180.07996	1.3
181.04951	2.1
182.09587	1.5
184.09860	1.5
188.06990	2.1
190.04933	5.8
191.05740	3.0
192.06569	3.3
196.09908	1.5
197.07121	1.5
197.10689	4.5
198.09261	1.5
198.11346	1.1
199.08591	2.8
199.12283	8.8
199.43689	1.2
204.04633	2.0
204.06540	32.5
204.08354	2.5
206.08101	9.7
207.06506	2.9
209.10612	2.1
210.09201	2.5
210.11330	2.2
211.08736	5.6
211.92239	1.1
212.09460	4.4
213.10237	3.6
214.10930	1.8
215.11859	2.1
216.10121	1.4
223.08656	2.2
223.12347	3.3
224.09201	1.6
225.10223	15.9
226.08633	1.2
226.10919	4.2
227.11748	44.4
228.06567	2.0
235.08681	1.6
236.09338	2.0
237.10175	12.9
238.11015	5.2
239.11732	15.4
240.12526	3.3
241.09674	2.9
241.13274	4.3
242.08153	1.3
243.11292	10.0
245.12848	1.4
248.09503	1.9
249.10225	7.3
250.10944	5.2
251.08130	1.4
251.09314	1.4
251.11751	13.6
252.12567	2.9
253.09732	5.6
253.13303	6.5
255.11282	3.4
257.13037	1.8
261.10056	1.6
263.08173	4.6
263.11731	11.1
264.08878	3.0
264.12421	2.1
265.09839	12.7
265.13181	8.0
266.10382	3.7
267.11304	11.1
267.15808	2.5
269.12836	19.6
271.10748	9.3
271.13559	1.7
275.11722	1.5
277.09686	8.1
278.10391	4.2
279.11224	34.8
280.11908	3.7
281.09186	1.3
281.12827	4.9
283.10687	5.0
283.14014	1.3
284.11487	3.6
285.12302	16.1
286.13071	3.5
287.13852	8.8
289.09714	1.4
291.11118	4.6
293.09674	1.4
293.12836	7.2
294.09918	1.7
294.13535	1.7
295.10724	5.5
295.14270	2.7
297.12289	13.8
298.13162	1.5
299.13846	6.5
301.12122	3.9
302.12973	3.0
302.16428	1.4
303.13675	1.4
305.09192	1.5
307.10611	3.0
307.13968	1.4
309.12213	9.5
310.13052	2.9
311.13864	6.1
312.14938	2.3
313.11716	15.4
313.14828	1.4
314.12695	6.5
315.13620	4.5
316.14426	6.3
317.09039	1.3
317.15131	2.3
318.15839	1.6
319.10724	2.7
321.12299	5.4
322.12848	1.3
323.10239	2.1
323.14020	2.0
325.11890	3.4
326.12732	1.5
326.16489	2.3
327.13663	7.9
327.17175	1.3
328.10907	1.8
328.14374	7.9
329.11536	3.4
329.15118	16.8
330.12247	3.1
330.15915	10.4
331.12894	6.9
331.16766	7.1
332.13831	1.4
332.17484	3.4
337.11649	5.6
338.12558	3.1
339.13574	10.0
340.14670	6.2
341.11853	2.6
341.15506	2.4
342.12344	14.5
342.16049	6.3
343.13110	9.2
343.16763	1.9
344.13831	6.1
344.17529	10.5
345.14484	16.0
346.15335	3.1
346.19025	1.6
351.13321	2.0
352.14508	1.4
353.15411	2.1
354.12259	2.4
354.15918	4.6
355.13513	4.6
356.13867	13.3
356.17688	2.7
357.14795	7.1
358.11652	1.6
358.15509	21.8
359.15814	1.9
360.17041	3.5
366.16019	2.4
367.12994	3.4
368.14066	2.3
368.17816	2.7
369.10590	2.1
369.14987	5.7
370.11679	4.0
370.15646	11.7
371.11899	1.8
371.16309	6.7
372.13226	3.0
372.17209	11.9
373.13760	2.3
373.17957	2.6
374.14670	2.8
374.18973	2.6
377.15054	2.5
380.13745	3.5
381.14520	2.3
382.11423	8.2
382.15573	3.0
383.12546	4.9
384.13196	24.6
384.17166	3.0
385.13968	8.2
386.14688	13.3
386.18784	2.9
387.15652	5.0
388.16388	3.7
390.18088	2.8
392.19345	1.3
393.14603	1.6
394.15451	2.7
395.16119	14.2
396.16931	3.3
397.14038	2.0
398.14944	41.0
399.15707	42.1
400.16513	67.2
401.16983	4.0
402.13934	1.6
402.18561	2.2
404.15717	2.0
411.15280	4.8
412.16559	6.2
413.17130	27.9
414.13806	3.9
414.18103	6.3
415.14691	5.8
416.15582	8.0
417.16595	2.9
418.17386	7.3
422.15164	1.7
424.16586	1.5
429.16507	7.4
430.17844	6.0
431.18155	16.5
432.18832	4.3
439.15009	2.0
440.15903	7.4
441.16635	3.7
442.17389	3.5
447.17389	4.5
448.18466	2.0
457.15918	1.5
458.17117	6.8
459.17722	4.8
460.18643	8.0
463.20685	12.9
471.17694	1.7
472.18417	2.1
473.18930	1.9
477.28494	1.8
480.21027	2.5
481.15802	1.6
483.17633	2.8
484.18439	1.7
490.19409	1.8
492.21521	3.2
497.15344	1.5
498.20090	1.7
500.17920	2.5
502.19485	2.4
511.17020	7.5
512.17291	1.5
513.18872	7.2
516.21222	1.5
526.19672	2.0
532.20654	1.8
534.21967	1.7
538.20117	1.6
539.22705	2.0
540.21002	1.8
543.19257	1.5
544.20825	2.5
545.21173	3.5
556.20795	1.8
558.22577	2.3
560.20160	4.3
561.21204	2.3
566.18835	4.7
574.21472	1.8
581.23511	5.0
584.19965	6.6
585.20911	2.2
586.21533	3.8
590.24231	2.1
592.22821	3.5
593.23456	3.8
598.21893	2.4
599.24487	6.6
601.26324	4.9
602.21301	17.0
603.22046	11.6
604.22559	5.4
616.22717	3.2
618.20490	1.8
620.22101	2.3
624.25372	3.7
634.23889	48.2
635.24634	30.5
636.25067	7.3
641.25684	3.6
643.27350	1.4
650.22980	4.6
651.23737	1.9
652.25061	31.2
653.24915	2.6
666.26239	8.4
667.27179	4.4
670.25543	1.5
681.28711	5.0
684.27374	17.4
685.25623	1.6
689.25690	5.0
699.29559	2.0
707.26886	26.2
725.28168	22.0
739.29272	3.9
743.29114	62.1
744.28918	2.4
757.29620	4.5
775.31671	100.0
776.31915	3.2
807.33057	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	807.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02465	0.8
67.05488	2.6
69.03409	3.6
69.07059	6.0
69.48179	5.3
69.48614	4.0
70.06590	1.4
73.02908	0.9
77.21371	0.8
79.05484	1.9
81.03002	1.0
81.03409	5.9
81.07059	1.8
85.02892	3.5
87.04436	0.9
89.03877	1.0
91.05479	2.3
93.06996	1.2
94.06554	6.0
95.04955	2.3
95.08589	1.2
97.02872	1.9
98.21475	2.0
105.07035	1.2
107.04961	1.2
107.08572	1.4
108.08118	4.2
109.02850	2.0
110.06038	1.2
112.07600	1.8
114.09144	1.6
114.10271	1.0
116.04973	1.7
117.05730	1.0
118.06533	2.0
119.08571	1.0
120.04482	1.5
120.08095	1.0
121.10104	0.9
122.06013	25.0
127.03902	2.0
129.94063	0.9
134.05978	2.4
136.07611	1.8
137.05971	1.2
138.05444	1.2
140.07034	27.8
143.42276	1.0
144.04410	3.0
146.05992	15.3
147.04376	5.4
148.07535	3.5
153.12660	1.0
162.05504	3.3
163.07475	0.9
164.06987	1.2
167.07266	1.2
172.03908	17.7
172.07526	2.4
174.05470	18.0
176.07033	6.2
177.05476	1.7
182.09633	2.9
184.09949	1.1
185.10870	1.2
188.06972	1.3
190.04932	6.0
191.05768	2.6
192.06577	3.0
196.09827	0.9
197.10762	3.2
198.11438	1.0
199.08600	1.3
199.12311	5.9
200.06891	1.1
204.06526	31.2
206.08093	9.2
209.10783	1.9
210.09174	3.3
211.08598	5.2
211.12166	1.0
212.09438	2.8
213.10202	2.2
216.10210	1.3
221.10730	1.3
223.08629	1.6
224.09404	2.6
225.07822	1.3
225.10197	13.2
225.13649	1.6
226.10895	1.8
227.11751	46.4
236.09424	1.4
237.10146	7.0
238.10985	3.1
239.07983	1.2
239.11737	7.9
240.12587	3.4
241.13362	4.8
243.11253	1.9
249.10223	4.4
250.10985	1.9
251.08029	1.8
251.11864	5.7
252.12340	1.4
253.09628	7.0
253.13371	1.7
255.11288	2.4
257.12933	1.2
261.12311	3.1
263.08191	5.1
263.11630	1.0
264.08981	2.2
265.09668	10.7
265.12738	1.3
266.10452	1.6
267.11230	7.4
269.12775	16.2
271.10748	7.0
272.11395	1.0
275.11823	1.4
277.09662	5.4
277.16492	1.5
278.10471	1.5
279.11139	6.6
280.11929	1.4
281.09036	1.0
281.12659	1.8
283.10709	3.3
284.11548	1.4
285.12302	15.5
286.13214	2.7
287.13965	7.0
289.13470	1.7
291.11002	1.2
293.12851	1.0
295.10818	3.3
297.09488	1.1
297.12329	6.7
299.13965	5.3
300.11853	1.3
300.15060	1.0
301.12152	3.8
301.15488	1.3
302.12936	1.3
305.09250	1.9
307.10959	1.0
311.13940	2.8
312.14978	1.2
313.11716	13.7
314.13104	5.5
315.13635	4.0
316.14444	7.1
316.17783	1.5
317.15421	1.7
321.12192	2.2
323.10132	1.4
325.11929	2.0
326.12726	1.7
326.16425	1.7
327.13705	2.9
328.10886	1.6
328.14423	7.2
329.11505	2.4
329.15063	11.3
330.12219	4.3
330.15930	9.3
331.12939	4.4
331.16748	8.8
332.14041	1.3
332.17499	3.6
335.13766	1.8
337.11526	1.3
339.13428	3.0
340.10922	1.4
340.14450	3.3
341.11819	1.4
341.15616	1.6
342.12360	11.4
342.16043	6.0
343.13052	6.8
343.16739	2.0
344.13809	3.1
344.17578	12.5
345.14484	13.5
349.45889	1.0
352.14594	2.3
353.12744	1.1
354.12473	2.4
354.16116	2.5
355.13098	4.9
356.13959	13.0
356.18027	0.9
357.14783	7.8
358.15457	19.7
359.15878	1.7
360.17056	2.1
363.15613	1.1
365.14880	1.5
366.12234	1.2
367.13040	2.7
368.17749	1.8
369.10651	1.5
369.14758	2.5
370.11633	2.9
370.15454	8.5
371.16156	3.9
372.12915	1.0
372.17050	12.0
373.17697	2.1
374.18475	2.0
377.14975	2.3
380.13876	2.9
381.14615	1.7
382.11423	8.8
382.15674	3.4
383.12292	4.4
384.13257	29.2
385.13748	6.6
385.18402	1.7
386.14618	8.9
386.18848	3.4
387.15277	1.3
388.16470	1.5
390.18033	2.1
392.19843	1.7
394.15494	2.1
395.16025	13.7
396.16861	3.2
397.14120	1.7
398.14914	42.1
399.15732	44.2
400.16486	66.4
401.17139	5.2
402.18066	1.4
412.16483	5.5
413.17035	27.2
414.18268	6.8
416.15527	2.1
418.17606	6.5
422.15057	2.4
423.15594	1.6
424.16586	1.6
430.17447	4.2
431.18091	17.5
432.19113	4.2
440.16116	6.8
441.16693	4.3
442.17487	2.9
444.19354	1.4
447.17566	2.5
457.16171	1.1
458.16907	7.2
459.17542	2.2
460.18680	4.5
463.20685	14.3
464.21185	1.2
473.19266	1.6
482.16791	1.3
498.19833	1.4
500.17941	2.1
516.21198	2.1
520.19196	1.1
526.20111	1.8
534.22705	1.8
535.20184	1.1
539.22852	2.1
540.21039	2.5
542.18445	1.2
544.20605	2.8
556.20392	1.3
558.21906	2.1
560.20367	2.0
561.20776	2.0
562.21844	2.1
566.19275	3.8
568.20221	1.4
582.23535	1.5
584.20013	6.4
585.20306	2.8
586.21637	1.4
590.24237	1.9
593.23395	2.5
594.24139	2.0
599.24774	3.2
602.21204	16.8
603.22015	10.1
604.22589	4.1
634.13721	2.0
634.23865	40.2
635.24518	26.8
636.25299	5.4
639.28180	1.2
641.25916	2.4
666.26379	5.1
667.27344	5.0
679.27051	2.1
681.28760	5.0
689.25714	4.1
699.30438	2.4
701.28253	1.9
707.26874	20.9
708.26636	1.4
725.28192	19.0
739.29486	2.0
743.29108	61.2
744.28888	3.0
757.30206	3.7
775.31689	100.0
776.31976	6.0
807.33606	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	807.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
57.49743	0.9
65.03951	0.7
67.05481	2.2
69.03418	2.4
69.07058	5.9
79.05490	1.1
81.03412	6.6
81.07040	1.9
83.04989	0.9
85.02888	3.2
87.99854	0.9
89.81195	0.8
91.05445	2.2
93.07036	1.3
94.06549	7.0
95.04953	1.8
97.02891	1.9
98.21499	1.6
104.48231	0.7
105.07024	1.6
106.06525	1.1
107.08579	1.1
108.08096	3.7
109.02857	2.5
109.10130	0.8
110.06046	0.9
114.09169	1.2
114.10229	1.3
116.04923	1.2
118.06509	1.5
119.04939	1.3
119.08597	0.9
120.04459	1.4
120.08059	1.2
122.06013	24.3
127.03905	3.1
132.00288	0.9
134.06000	3.1
135.11696	1.2
136.07549	2.0
137.05981	2.3
138.05469	1.7
140.07030	25.0
144.04445	2.1
145.02818	0.9
145.05167	0.9
146.05995	12.6
147.04369	4.8
147.06818	0.8
148.07555	3.7
152.07143	1.2
160.07556	1.3
162.05482	3.5
163.06258	1.3
166.04993	0.8
166.08583	1.1
167.07043	1.8
172.03905	15.5
172.07455	1.2
173.04723	1.7
174.05482	19.9
174.09204	0.9
176.07031	5.9
182.09607	1.5
184.07529	1.2
184.09856	1.0
184.11290	1.0
188.07079	1.4
190.04985	4.5
191.05685	1.0
192.06586	2.7
196.09912	1.4
197.10753	3.0
199.08652	1.4
199.12238	6.6
202.08604	1.3
204.06540	28.0
206.08116	7.0
207.06395	1.6
209.10966	1.1
209.89964	0.9
210.09123	1.5
211.08623	6.1
211.12184	1.4
212.07222	0.9
212.09332	2.6
213.10223	2.0
216.10139	1.0
223.08691	2.1
224.09337	1.9
225.10199	12.2
226.08673	1.1
226.11012	2.7
227.11751	43.7
229.13394	1.2
230.53101	1.4
235.12291	0.9
236.09267	1.2
237.10211	6.0
238.10983	2.9
239.11746	8.2
240.12511	3.4
241.09651	2.0
241.13339	3.8
243.11284	1.6
244.09872	0.8
249.10196	5.0
250.11063	1.4
251.08134	1.8
251.11819	5.7
252.12538	1.6
253.09688	5.0
253.13414	2.0
255.11354	2.5
257.12775	2.3
261.12463	1.5
262.11124	0.9
263.08206	5.2
263.11740	2.1
264.08820	2.3
265.09683	10.9
266.10413	1.9
267.11246	5.7
269.09549	1.2
269.12790	15.2
271.10709	7.0
277.09705	4.7
277.12463	0.8
277.16501	1.5
278.10431	2.2
279.11230	7.3
280.12106	1.7
281.09302	1.3
281.12881	2.3
283.10815	3.8
283.13971	0.8
284.11349	1.1
285.12280	15.8
286.13165	1.6
287.11108	1.1
287.13904	7.7
289.13135	1.6
291.11133	2.1
293.12820	2.0
295.10818	3.0
296.11502	0.9
297.12335	8.1
299.13995	5.0
300.12283	1.8
301.12082	3.8
302.13251	1.0
302.16479	1.1
303.13474	1.7
305.09177	2.0
307.11063	0.9
309.12357	1.3
311.13901	1.7
312.14969	2.4
313.11746	13.9
314.12888	4.0
314.16360	1.1
315.13766	4.0
316.14447	7.5
317.15143	1.5
318.15683	1.0
321.12326	2.3
323.10458	1.7
323.13757	1.3
325.11932	2.5
326.12970	1.0
326.16599	1.8
327.13571	3.0
327.17181	1.3
328.10889	1.1
328.14435	6.0
328.17923	1.3
329.11627	2.6
329.15076	12.5
330.12332	3.1
330.16025	10.4
331.12930	5.0
331.16785	9.0
332.17596	3.5
339.14075	1.4
340.14511	1.9
340.17975	1.2
341.11795	1.8
342.12378	11.9
342.16028	3.7
343.13086	7.7
343.16705	1.3
344.13809	3.6
344.17569	10.7
345.14505	14.7
345.18457	0.9
346.15390	1.3
346.19290	1.1
352.14349	3.1
353.15302	1.9
354.12354	2.7
354.16113	2.3
355.13458	4.6
356.13870	10.1
356.17667	2.1
357.14746	7.5
358.11243	1.1
358.15448	18.2
359.16150	2.1
360.16974	2.3
363.15576	1.2
366.12183	1.6
367.13037	1.3
368.13733	1.8
368.17761	1.4
369.14703	3.2
370.11646	3.4
370.15463	9.8
371.16425	4.9
372.13132	0.9
372.17044	11.6
373.17996	1.4
374.18488	1.9
377.14691	1.4
379.12952	1.3
380.13812	3.0
381.14407	2.6
382.11465	7.8
382.15646	3.2
383.12369	6.0
384.13245	25.4
384.17087	2.1
385.13715	5.3
386.14545	8.2
386.18835	3.9
387.15405	1.9
388.16537	1.8
390.17783	2.0
394.15640	1.8
395.16037	13.4
396.16843	3.1
397.14117	1.9
398.14896	39.7
399.15726	40.4
400.16498	64.9
401.17059	3.1
404.16006	2.0
410.15042	1.3
412.16373	3.8
413.17047	26.6
414.18158	6.9
416.15292	2.1
416.20374	1.6
417.16562	2.0
418.17548	5.6
422.14539	1.6
423.15213	1.2
429.16556	1.8
430.17566	4.1
431.18069	19.4
432.19116	4.0
439.15186	1.5
440.16098	7.5
441.16406	2.7
442.17453	1.6
447.17493	1.8
457.16052	1.0
458.16855	6.0
459.17624	2.9
460.18716	3.2
463.20792	15.4
473.19070	2.2
481.15698	1.0
482.16699	1.1
498.19806	2.1
500.17886	1.9
514.19269	1.1
516.21100	1.9
534.22266	2.3
535.19501	1.3
538.19617	1.5
539.22028	1.6
540.21362	2.2
542.20416	0.9
544.20764	1.7
558.22241	2.0
559.21088	1.4
560.20178	3.3
561.20514	1.3
562.21936	2.6
566.18921	3.7
581.23560	2.9
584.20190	5.0
585.20770	2.7
588.19489	1.1
590.24591	1.2
592.22949	1.3
593.23401	2.5
594.24017	2.3
599.25104	4.5
602.21216	17.7
603.22064	8.2
604.22589	4.4
616.22400	1.3
634.23865	38.3
635.24640	22.6
636.25757	4.3
641.26001	2.5
666.26038	5.1
667.26874	3.2
681.29132	5.8
689.25427	3.3
699.30402	2.9
707.27100	22.0
721.27667	1.1
725.27972	19.4
739.29254	1.8
743.29126	61.1
744.30463	1.8
757.29852	2.8
775.31696	100.0
776.31451	3.5
807.33777	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	806.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.7
57.07069	0.8
65.03922	1.2
67.05493	26.8
69.03415	0.5
69.07059	15.5
71.04972	1.0
71.79658	0.6
79.05012	0.7
79.05482	19.2
81.03407	3.1
81.07043	33.7
83.04981	3.3
83.08599	4.3
85.06535	1.5
86.09699	1.0
91.05466	25.4
93.07030	23.3
93.07652	0.8
95.01317	2.9
95.04948	4.0
95.08591	19.1
97.05910	1.0
97.06511	8.6
97.10158	1.8
99.04439	0.7
99.08080	1.1
103.05463	1.2
105.07014	31.2
106.07420	0.6
107.04921	5.4
107.07894	0.9
107.08579	12.7
109.06516	2.3
109.10135	6.7
111.08062	0.6
114.09152	3.7
115.09480	0.9
117.06989	6.2
119.08566	16.2
120.45745	0.5
121.06523	1.2
121.10133	8.3
122.10398	0.5
123.04395	0.9
123.08057	2.2
123.11704	2.0
129.06976	1.2
130.07716	0.6
131.08542	10.7
133.06541	1.0
133.10103	15.6
135.08052	1.8
135.11676	4.9
137.09589	1.3
137.13240	0.6
143.08557	1.5
145.06473	0.7
145.10110	7.6
147.02597	0.5
147.11665	7.0
149.09607	2.1
149.13257	2.7
151.11180	0.7
157.10080	1.3
159.11679	5.0
160.09657	7.0
160.11848	0.5
161.10022	1.9
161.13255	2.4
163.11154	1.5
165.09016	0.5
169.10123	0.7
173.13281	2.2
175.14807	0.7
177.12733	1.1
179.14296	4.8
183.11751	0.8
184.07326	3.0
187.11139	1.0
201.16542	0.6
215.17824	0.6
219.17416	9.4
223.43179	0.5
239.18018	1.0
247.20573	0.9
257.18945	1.6
261.22287	0.6
267.15973	1.2
275.20013	29.5
284.44067	0.7
293.21149	1.4
335.25745	54.2
336.26135	1.1
349.23691	16.5
367.32172	0.9
472.08719	0.5
559.43829	1.0
609.45038	100.0
610.45386	3.2
764.93335	0.6
770.63800	1.4
788.64539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.9
57.07080	1.0
65.03925	2.7
67.05494	54.7
69.07055	12.7
71.01342	1.3
71.04965	2.3
71.45911	1.0
73.02897	1.2
74.09668	1.0
79.05481	36.5
80.05823	1.1
81.03428	1.3
81.07042	58.5
82.07359	0.9
83.04967	1.5
83.08605	7.7
84.47258	0.8
85.02892	4.1
85.06506	1.7
91.05465	23.0
93.07029	45.8
95.01289	3.7
95.04962	4.8
95.08593	45.2
97.02874	1.0
97.06496	2.8
97.10139	3.2
99.00800	1.0
99.08105	1.3
99.52443	0.8
105.07010	17.1
107.08577	24.9
107.20815	1.0
109.06483	1.2
109.10145	19.6
111.08061	1.9
113.02333	2.1
114.09089	1.4
117.06991	6.9
119.08554	16.6
121.10127	20.8
123.08092	1.1
123.11698	7.3
125.09665	1.2
129.06996	1.7
131.08534	11.4
131.49136	0.8
133.10115	11.3
135.08083	1.2
135.11656	11.6
137.13214	2.6
141.01836	4.0
142.23172	0.8
143.08533	1.5
145.10117	9.5
147.11650	7.7
149.13232	8.6
151.14835	1.1
157.10045	1.8
157.16840	1.0
159.11671	8.0
160.09723	1.1
161.13266	6.3
163.14822	4.2
171.11652	1.4
173.13226	8.2
175.14818	2.9
177.16371	1.5
185.13206	1.7
187.14809	3.2
190.07437	0.8
201.16306	1.7
231.20947	1.0
233.22627	1.2
241.19501	2.7
243.20938	5.3
245.19051	0.8
259.20578	7.8
261.22107	19.8
263.23718	1.3
268.22256	0.8
277.21552	0.8
279.23221	1.0
285.92960	0.9
317.24551	2.7
333.24246	5.4
335.25760	100.0
336.26044	2.4
337.27338	7.6
458.42688	0.9
511.29349	4.0
521.43311	1.5
595.47089	15.0
613.48254	12.2
729.56897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	22.0
57.07051	2.3
59.04997	2.9
60.45705	1.1
61.02903	2.4
65.03930	3.6
67.05491	73.5
69.03414	11.2
69.07055	38.0
71.04973	8.6
73.02883	1.5
79.05003	2.2
79.05477	63.6
81.03402	100.0
81.07040	76.1
81.07533	2.6
83.04967	16.6
83.08600	38.0
85.02866	5.6
85.06525	5.8
85.94019	1.1
91.03958	1.8
91.05461	64.1
93.07024	58.3
94.28295	1.0
95.04951	40.0
95.08588	31.8
97.02911	5.9
97.06519	16.3
97.10148	29.2
99.04440	1.8
99.08073	3.3
103.05429	1.8
105.07007	52.6
107.04930	17.2
107.08571	47.3
109.02868	1.4
109.06515	11.0
109.10137	19.1
111.04424	3.2
111.08044	11.3
113.09674	1.9
115.05424	2.8
117.07003	18.5
119.04912	3.0
119.08560	37.7
121.06468	10.3
121.10122	23.1
123.04379	2.8
123.08057	6.7
123.11710	4.5
125.09598	25.8
125.10473	1.9
127.03883	2.8
128.06161	2.3
129.05499	1.2
129.06989	16.5
131.04881	1.2
131.08545	31.7
133.06526	6.4
133.10104	27.9
135.08040	8.7
135.11673	13.0
137.05960	2.0
137.09610	7.0
137.13370	1.1
139.07466	1.1
139.11072	1.1
141.06995	3.8
142.07745	4.1
143.08521	8.1
145.06430	6.0
145.10100	24.0
147.08025	6.4
147.11644	22.2
149.09605	18.7
149.13261	8.9
151.11182	2.9
153.09082	5.0
155.08507	5.1
157.10104	21.6
159.08073	1.9
159.11649	15.2
161.09599	4.0
161.13222	6.3
163.11168	12.4
165.12759	3.3
169.10106	7.1
171.08038	2.7
171.10226	2.1
171.11572	7.1
173.09599	4.2
173.11749	2.2
173.13251	6.2
175.03220	1.1
175.11153	13.5
175.96800	1.3
177.12744	3.8
179.14316	1.9
180.81956	1.2
181.10193	1.8
181.12225	1.8
183.11688	6.2
185.09583	1.8
185.13251	5.3
187.11191	5.0
187.13109	1.7
187.14766	1.6
189.11188	15.1
189.12653	2.0
191.10519	1.3
193.12206	33.0
195.11867	1.4
195.13763	2.5
197.13264	3.7
199.14792	2.1
201.12723	2.9
203.14250	2.5
205.12231	2.9
207.11697	1.2
211.13173	2.7
217.15836	2.3
227.12729	24.3
229.14391	3.6
229.19472	1.8
231.13832	2.0
233.15480	1.9
235.13135	1.9
237.12630	1.2
239.17961	2.4
243.15964	1.7
245.13693	2.8
247.20625	2.2
249.14706	2.9
255.15814	11.3
257.18896	5.6
267.15851	83.8
268.16177	1.7
269.17380	17.2
273.14655	1.4
273.18433	2.0
275.19992	28.7
289.17972	1.9
291.19495	3.9
293.21194	1.5
297.22107	2.4
299.19986	3.3
301.14319	3.7
313.21707	1.4
315.23175	1.9
317.20978	2.7
319.15317	1.5
331.22900	2.3
337.21448	1.4
349.23694	32.0
355.22626	1.9
367.24780	4.5
369.24146	4.2
373.23761	1.6
387.25247	2.0
403.24942	2.1
405.26361	1.6
419.24036	3.3
421.25836	7.5
429.26141	2.3
431.29202	1.8
435.27267	3.1
437.25333	4.4
443.27646	7.6
445.29486	1.7
447.27332	28.2
449.30194	4.4
459.27481	4.4
461.28922	66.3
462.29471	1.6
465.87854	1.3
467.31296	5.0
477.28436	3.8
485.32312	2.2
489.28253	2.3
493.31641	8.1
501.31848	3.3
503.29730	1.6
523.34045	5.5
541.35138	91.4
542.35492	4.3
559.36243	38.9
560.36298	2.0
569.30768	1.8
573.37506	4.6
583.35895	1.4
591.38422	4.4
649.36481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05823	1.1
57.03427	22.2
57.07058	4.0
59.04990	8.9
59.35550	1.0
61.02921	5.3
65.03933	5.1
67.05490	100.0
68.05822	2.5
69.03415	8.7
69.06674	2.4
69.07053	33.7
69.77673	1.1
70.92104	1.7
70.92439	2.5
71.01324	1.3
71.04971	18.3
71.08611	2.5
73.02892	2.0
73.06512	1.4
79.05478	67.0
80.05829	1.9
81.03008	1.5
81.03400	73.7
81.07038	86.1
82.03752	1.8
83.04964	15.9
83.08601	27.2
85.02881	10.3
85.06516	5.8
86.09668	1.3
87.04447	9.3
91.05462	69.0
92.05781	2.8
93.07021	65.7
94.07363	2.2
95.04947	35.1
95.08590	39.9
96.08927	1.5
97.02858	8.4
97.06509	15.6
97.07089	1.6
97.10139	14.5
99.04440	4.1
99.08070	6.4
103.05445	2.1
105.07006	59.0
106.07340	2.0
107.04939	14.1
107.08572	38.0
108.08874	2.5
109.02831	1.4
109.06506	11.5
109.10135	45.8
110.10477	1.5
111.04425	2.7
111.08053	11.5
115.05438	4.4
116.06262	1.2
117.06176	1.2
117.06992	22.9
119.04930	2.8
119.08558	45.8
121.06473	9.8
121.10110	26.1
122.10452	1.5
123.04373	1.9
123.08035	8.0
123.11678	7.4
125.05997	1.4
125.09618	11.8
127.03921	2.9
127.07500	1.5
128.06200	2.8
129.05496	2.6
129.06973	20.4
131.04929	1.3
131.08543	34.4
132.08928	1.3
133.06493	5.8
133.10097	38.1
134.10454	2.7
135.08041	8.1
135.11659	11.6
137.05975	1.2
137.09569	6.9
139.11148	2.5
141.06998	3.8
142.07732	4.6
143.08536	13.0
145.06514	3.1
145.10092	23.7
146.10495	1.1
147.08028	6.8
147.11659	24.3
147.12827	1.3
149.09589	14.8
149.13229	9.3
151.11133	6.7
153.09105	1.5
155.08502	5.4
157.06572	1.1
157.10092	18.7
159.08038	3.7
159.11682	19.8
161.09628	3.7
161.13176	7.6
163.11174	9.5
163.14902	1.3
165.12730	2.7
167.08528	2.6
167.10695	1.4
169.10056	6.0
169.12335	1.5
171.08029	2.2
171.10292	1.7
171.11661	11.6
173.09575	2.1
173.11717	8.7
173.13252	9.1
175.11148	10.4
175.14824	2.0
177.12688	6.4
179.10660	1.3
179.14386	2.2
181.10059	3.5
183.11671	7.1
184.07323	2.7
185.09622	2.7
185.13272	7.3
187.11061	2.5
187.14873	3.9
189.11185	5.4
189.12735	2.3
191.10680	2.1
191.14249	2.4
193.10431	2.3
193.12202	19.6
195.11708	3.4
195.13734	1.9
197.13213	4.8
199.11148	1.7
199.13124	1.7
199.14809	3.6
201.12729	2.3
201.16483	1.3
205.12128	2.4
207.13777	1.6
209.13205	3.1
211.13260	8.9
211.14851	1.7
213.12804	1.7
215.14378	1.9
217.12219	1.1
217.15846	3.1
221.13376	1.3
223.14888	2.4
225.14668	1.7
227.12743	9.9
229.14311	17.5
229.19467	1.6
233.15369	1.6
239.17795	2.3
241.14264	1.3
241.19522	3.9
243.15872	1.5
247.16991	1.7
249.14828	2.5
253.14262	8.2
254.14737	1.8
255.15419	1.2
257.18991	4.3
259.20532	8.4
267.15860	60.6
268.16162	4.2
269.17337	7.8
273.18561	2.6
274.18939	1.1
275.19946	14.5
276.20483	1.3
281.17639	1.3
283.15286	1.2
285.16873	5.4
287.20053	2.8
291.19479	3.8
293.21115	14.8
297.22290	1.3
299.23523	1.8
301.16672	2.0
301.19962	2.9
313.21558	1.5
315.23163	2.5
325.21542	2.0
331.22556	2.3
333.24667	5.1
347.22220	1.2
349.23581	11.3
351.23123	3.2
365.23462	2.2
366.23639	1.5
367.24713	7.3
369.24207	4.6
385.23972	1.3
387.24991	2.4
399.23608	2.5
403.24786	2.0
405.26196	2.6
411.26761	1.4
417.26160	1.6
421.25671	7.0
431.29465	1.6
433.30649	3.0
435.27319	2.1
437.29343	2.3
439.26755	3.1
443.27774	4.5
447.26895	2.2
449.30341	1.8
451.31842	2.6
455.29922	2.7
459.26907	1.4
461.28815	20.5
463.26810	1.6
467.31741	1.3
469.33023	2.4
477.28571	2.1
487.34164	2.7
493.32074	5.3
504.34244	1.9
507.34137	2.4
517.34814	5.2
525.35651	17.7
531.36487	1.5
540.33606	1.4
541.27643	1.6
541.35095	14.2
543.36786	36.0
544.37555	1.6
555.36938	1.8
557.37616	3.9
559.36047	23.9
573.37823	1.8
574.47150	1.2
575.39319	8.2
591.37457	1.7
609.36407	4.3
626.44629	2.5
807.41052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03152	1.3
57.03429	23.6
57.07062	2.1
57.99848	0.7
65.03936	5.1
67.05495	70.1
68.05800	1.2
69.03410	3.0
69.07058	11.7
71.04977	3.9
72.87851	0.8
79.05482	40.2
79.44453	0.8
81.03403	3.5
81.07044	47.6
83.04964	3.6
83.08623	7.0
85.06530	12.3
86.09692	2.8
91.05466	34.0
93.07030	42.1
95.04952	63.9
95.08594	34.0
97.02874	1.3
97.06509	5.4
97.10146	2.6
99.08086	1.1
105.07015	25.4
107.04951	9.4
107.08576	26.8
109.06503	54.5
109.10134	11.6
111.08062	2.6
113.05991	30.1
115.05407	1.2
117.07006	11.4
119.08566	16.0
121.06490	5.4
121.10126	12.2
123.08054	3.8
123.11685	2.7
124.99960	1.7
125.09576	0.9
128.06219	2.4
129.06989	6.8
130.07777	1.1
131.07532	0.8
131.07704	0.4
131.08546	20.5
133.06464	3.6
133.10126	12.4
135.08040	46.6
135.11664	12.7
137.05989	1.6
137.09593	2.0
141.06950	1.4
142.07742	1.3
143.08546	8.5
145.06512	1.7
145.10112	15.7
147.08028	5.4
147.11658	5.5
149.09592	5.8
149.13226	4.5
155.08507	1.4
157.10156	6.1
159.08040	2.0
159.11693	7.4
161.09608	9.4
161.13245	2.6
163.11142	4.3
163.14865	1.1
165.09158	1.3
169.10176	2.5
171.11679	4.2
173.09595	1.1
173.13249	4.3
175.11224	1.9
175.14745	1.1
177.12743	3.6
179.10510	0.8
181.10268	1.0
183.11702	2.3
184.07320	7.9
185.07683	1.0
185.13228	2.0
187.11136	1.1
187.14752	0.9
189.12703	1.1
195.11751	1.7
195.13696	1.8
197.13196	1.2
199.11157	1.5
199.14789	3.8
201.12721	1.5
217.15857	11.7
227.17938	2.4
229.09909	0.9
229.15810	0.9
233.15401	1.5
237.16335	2.0
243.21236	1.2
245.18968	2.1
255.17406	2.7
259.20731	1.2
261.22281	1.4
273.18454	34.7
273.21439	1.9
275.19952	2.2
279.15964	1.0
291.19504	100.0
292.19775	1.7
309.20532	2.7
335.25769	96.2
336.26108	1.9
341.92661	0.8
347.22113	11.0
365.23199	17.0
513.39063	1.0
533.39661	0.9
545.37659	1.1
567.40076	3.9
607.43585	18.1
622.46991	1.0
625.44574	82.6
626.44861	3.3
710.75696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.0
59.04969	0.3
61.02903	0.9
65.03656	0.3
65.03934	3.7
67.05483	2.1
69.03419	3.8
70.06584	0.3
70.71647	0.3
71.04967	0.3
71.79552	0.5
73.02894	0.6
77.03887	0.4
78.04701	2.6
79.05479	2.3
81.03406	2.5
81.07026	0.4
82.04171	1.2
83.04947	0.5
84.08122	0.4
85.02898	7.8
87.70752	0.3
89.03885	0.5
91.05464	4.1
93.03386	0.8
93.07023	1.1
95.04964	3.1
97.02881	2.3
97.06525	1.5
98.47610	0.3
99.04427	0.4
102.04631	0.3
103.05454	3.5
105.03385	0.5
105.04509	0.7
105.07008	1.1
106.04159	1.9
107.04939	4.7
108.02068	0.5
109.02853	1.0
109.06532	0.5
110.03644	1.9
110.06004	0.4
111.04462	1.5
114.09143	0.7
114.12783	0.3
115.05441	6.2
117.03342	0.7
117.07011	8.8
117.70630	0.3
119.04919	1.0
119.08521	0.6
120.05695	0.4
121.02821	0.7
121.06498	3.1
122.03693	0.5
123.00804	0.4
123.04420	7.3
124.05201	2.9
125.02348	0.3
125.05965	2.3
127.03896	1.1
127.05413	1.2
129.05379	0.3
129.06987	0.4
130.04150	0.7
130.08606	0.8
131.04921	3.3
132.05641	0.8
133.02841	0.6
133.06458	1.1
134.03607	0.6
135.04382	1.2
137.02328	0.6
137.05971	4.5
138.03090	1.3
138.05463	0.7
139.03911	0.5
139.07553	0.4
140.04654	1.1
140.07069	0.3
141.06560	0.4
142.02603	1.2
143.04890	1.2
143.08316	0.4
144.05708	0.5
145.02794	0.9
145.06470	16.0
146.06862	0.4
147.04384	2.0
147.07947	1.6
148.05191	1.0
149.05974	3.7
151.03870	2.2
151.07524	1.3
152.04689	2.6
153.05444	1.3
154.06218	0.7
155.04842	0.6
155.06015	2.8
155.07042	0.7
156.05679	0.4
159.04381	1.2
160.05135	0.9
160.09601	0.4
161.05984	2.0
163.03915	2.9
163.06241	0.6
163.07536	0.7
165.05493	1.5
165.06831	0.4
166.02544	0.4
167.07019	100.0
168.07370	1.4
171.06514	4.7
172.05162	0.7
173.05968	20.8
174.06557	0.9
175.03877	0.6
175.07520	2.6
176.04662	1.0
177.05453	5.3
177.09052	0.4
178.06165	0.7
178.08589	0.9
179.07074	0.7
179.08656	0.5
181.04936	74.1
182.05287	1.1
183.06505	0.7
187.07513	0.5
188.04677	1.1
189.05455	0.9
189.08931	0.5
190.06253	0.7
191.07019	2.9
193.08525	1.6
194.05708	0.4
194.07289	0.5
195.06470	1.8
200.04559	0.4
201.05452	2.5
202.12924	0.3
203.07013	5.3
205.06625	0.4
205.08551	7.5
207.06384	1.5
207.08234	0.5
207.10065	0.7
209.08022	3.8
209.09731	0.4
217.08612	1.1
219.06442	2.7
219.08202	0.4
220.07069	0.5
221.06140	0.4
221.08099	1.4
222.06631	0.6
231.06538	1.3
233.06012	0.4
233.08047	8.3
233.10262	0.6
234.06763	0.5
234.08864	2.8
235.07458	0.7
235.09579	6.8
237.09178	0.9
239.07037	0.7
245.07964	0.4
247.07512	0.5
249.07617	0.3
250.06245	0.9
251.06900	0.4
253.08521	0.7
255.10123	0.5
263.06796	0.6
263.09348	0.5
264.07834	0.8
265.08649	1.1
267.06555	0.7
267.09937	0.4
277.08588	0.4
279.06372	0.6
279.09479	0.4
281.07965	0.4
282.08972	1.0
283.09668	0.9
292.07306	0.7
293.08014	1.7
294.08691	0.7
295.06021	0.8
295.09366	0.7
297.11237	2.1
298.11438	0.3
299.09152	0.6
301.85025	0.3
303.05032	1.2
307.09653	0.4
309.07547	0.4
310.08234	1.9
311.09137	0.5
312.09958	0.5
313.10977	0.4
314.11328	0.4
324.10202	0.6
325.10748	2.3
326.11472	1.3
327.08676	0.8
327.12335	0.5
329.13834	1.1
337.10739	0.9
338.07428	0.3
342.10791	0.8
345.13245	0.4
353.10205	1.3
354.10754	0.4
355.11688	1.1
357.13287	8.7
365.10156	0.5
367.11734	0.6
373.13742	0.7
383.11130	0.4
384.11600	0.3
385.12772	31.6
386.13422	2.8
387.14322	4.0
397.12833	5.4
397.17618	0.4
398.13638	0.4
399.14359	1.1
403.13840	4.1
415.13843	7.1
416.14737	3.6
417.15411	11.8
418.15689	0.5
497.10577	0.8
499.56592	0.4
577.19647	2.0
595.21332	1.5
613.22815	0.4
625.22766	0.6
643.23761	49.6
644.23871	2.2
805.28815	12.5
806.28510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	11.6
57.07055	1.6
59.04993	0.9
60.38537	0.7
65.03927	2.7
65.43216	0.7
67.05492	50.6
67.74290	0.7
68.05791	1.0
69.03419	6.4
69.07060	14.3
71.01334	0.8
71.04447	1.4
71.04968	7.0
73.02883	1.0
73.06518	0.8
75.64124	0.7
79.05480	36.6
81.03403	71.9
81.07040	55.7
82.07345	1.2
83.04491	1.2
83.04967	12.8
83.08608	17.8
85.02890	2.2
85.06532	5.5
87.43964	0.8
91.05463	54.6
92.05780	1.5
93.07025	35.2
95.04955	30.5
95.08592	21.3
96.98435	0.9
97.02886	3.6
97.06517	6.7
97.10147	4.4
99.04419	2.8
99.08073	1.6
103.05463	1.1
105.07010	46.0
107.04943	11.6
107.08575	34.3
107.09319	1.5
109.02847	1.1
109.06499	10.8
109.10138	49.9
110.10480	0.8
111.04414	1.8
111.08064	8.7
113.05991	1.9
115.05440	2.4
117.06973	7.6
119.04898	0.9
119.08568	20.3
121.06478	8.6
121.10126	11.3
123.04408	1.7
123.08057	3.9
123.11678	9.2
125.09616	3.4
127.07552	3.1
128.06194	2.2
129.06963	10.8
131.08536	14.9
133.06479	7.3
133.10103	62.7
134.10326	0.9
135.08018	6.8
135.11639	5.0
137.05907	1.2
137.09613	4.6
139.07515	1.1
141.06989	0.9
142.07747	2.8
143.08525	5.1
145.06454	2.0
145.10104	8.0
147.07986	5.9
147.11685	8.4
149.09593	9.9
149.13229	0.8
151.07603	0.9
151.11153	28.8
153.08977	0.8
153.12735	0.9
155.08508	1.7
157.10092	11.3
159.08029	2.7
159.11678	3.2
161.09596	8.8
161.13286	3.1
163.11147	4.7
165.09048	0.8
165.12730	2.1
167.08572	0.8
169.10147	1.9
169.12257	3.9
171.08055	1.1
171.11653	3.3
173.09598	2.4
173.11801	0.8
173.13286	1.6
175.11150	10.1
177.09052	1.2
177.12723	1.3
179.10655	3.5
181.10110	1.1
181.12164	1.0
183.11615	1.2
185.13274	2.7
187.11171	1.4
189.09166	0.9
189.11194	1.9
189.12740	1.3
193.12204	21.0
195.11839	0.9
199.11211	2.0
205.12236	1.2
207.13763	0.9
209.11635	0.9
211.13205	1.4
213.12854	1.5
215.12822	2.9
217.12213	1.0
217.19644	1.1
219.13863	1.2
223.13339	1.0
227.12741	2.9
227.17917	1.6
229.14236	1.4
245.18970	4.6
249.14793	1.7
251.12726	1.4
253.14304	98.5
254.14671	2.0
255.17630	0.9
259.13153	0.9
261.18542	1.1
263.20062	3.4
267.15866	65.8
273.18430	14.7
283.15436	2.1
287.19965	9.7
291.19504	21.3
309.17001	1.0
309.20602	2.3
313.21548	1.8
343.22867	1.4
347.22021	7.2
365.23187	32.4
366.23514	1.0
367.22968	0.9
371.22198	2.3
389.23181	2.6
403.24799	1.8
421.25513	3.8
437.24969	0.8
445.25815	20.6
447.28836	3.2
461.25089	1.4
463.26785	23.7
465.30045	4.6
483.31143	2.8
503.49976	0.8
529.34674	1.0
539.25562	1.2
539.33643	19.5
540.33997	1.0
543.36865	0.9
557.34650	100.0
558.34918	3.9
575.35870	4.5
589.37793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	10.1
57.07048	0.8
59.04982	0.7
61.02896	0.5
65.03928	1.2
67.05495	24.8
67.93600	0.4
69.03417	8.3
69.07057	19.6
71.03812	1.3
71.04987	2.8
74.02466	0.5
77.03899	0.6
79.05481	25.1
81.03405	56.8
81.07043	22.1
81.07531	0.8
83.04971	5.5
83.08604	18.6
84.08921	0.5
85.02890	1.7
85.06526	1.5
88.47325	0.4
91.05465	23.1
93.07030	18.5
94.04162	0.5
95.01293	0.6
95.04951	21.8
95.08594	10.9
97.02876	10.2
97.06508	3.6
97.10153	12.0
101.06075	0.4
103.05449	1.1
105.03402	0.8
105.07013	16.9
107.04936	8.8
107.08574	12.8
108.08822	0.4
109.02877	1.0
109.06493	3.7
109.10137	9.8
111.04443	2.1
111.08057	5.1
113.05942	0.8
115.05437	1.3
116.06245	0.7
117.06997	6.4
119.04926	1.5
119.08560	16.3
119.09395	1.0
121.06494	5.2
121.10120	8.0
123.04419	1.2
123.08047	3.6
123.11634	1.0
125.09605	9.7
128.06207	0.7
129.05522	0.6
129.06993	8.5
130.07773	0.6
131.08549	11.3
133.06464	4.9
133.10115	9.3
134.07245	0.9
135.08020	3.9
135.11684	1.9
137.09561	2.2
139.07513	0.5
141.06975	0.7
142.07748	1.8
143.08531	3.2
145.06454	1.3
145.10094	5.4
147.08023	6.3
147.11650	7.3
149.09576	4.9
149.13243	1.2
151.11171	1.5
153.09091	1.2
155.08514	1.1
157.10104	7.7
159.08063	1.0
159.11670	2.5
161.09579	2.0
161.13271	0.6
162.10336	0.5
163.11176	2.1
165.09109	1.1
165.12706	1.6
169.10098	0.9
169.12186	0.8
171.10301	0.6
171.11638	1.8
173.09610	0.6
173.11819	0.6
173.13306	0.8
175.11171	6.6
177.12773	1.4
182.61755	0.4
183.11662	0.9
185.09602	0.6
185.13264	0.9
187.11253	0.5
187.13203	0.4
189.11191	3.5
189.12671	0.8
193.12216	11.6
195.11719	0.6
195.13693	0.8
199.11223	0.8
201.12587	0.5
203.14333	0.6
205.12189	2.3
207.13724	0.4
211.13281	1.9
219.13789	3.6
223.13255	13.7
227.12721	6.3
228.13057	0.5
235.13199	0.7
237.14763	0.5
245.15811	0.5
245.19011	1.1
249.14828	4.1
253.14317	3.9
255.17459	0.6
259.16965	0.4
261.15048	0.5
263.19901	0.8
267.15866	69.4
268.16260	2.6
273.18445	9.6
291.19492	67.1
292.19867	2.8
301.14389	0.6
309.16779	0.5
309.20547	0.7
313.21533	2.3
333.20523	0.6
347.22150	1.9
348.51352	0.4
365.23172	44.9
366.23514	2.0
367.22723	0.6
375.17972	0.6
385.23489	1.5
389.22955	0.6
419.24283	0.7
421.25873	0.6
437.25330	0.8
441.26294	0.5
445.25793	5.1
459.27411	5.5
463.26880	1.5
465.29773	1.0
475.26755	0.7
477.28421	4.9
483.30939	1.6
489.28101	0.7
529.35095	1.2
539.33704	7.8
557.34650	100.0
558.34955	8.5
575.35504	2.6
588.80408	0.5
589.36255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.6
57.07060	0.5
61.02917	3.9
65.03920	1.0
67.05496	19.6
69.03424	2.4
69.07059	7.3
71.01315	0.3
71.04978	2.6
73.02911	1.5
79.05480	14.7
80.05797	0.4
81.03410	6.5
81.07043	18.2
82.07355	0.4
83.04971	2.2
83.08610	5.2
84.08142	0.5
85.02893	5.7
85.06516	1.1
87.04460	0.4
91.03947	3.6
91.05466	18.1
92.05766	0.4
93.07032	15.5
94.07356	0.4
95.04952	4.6
95.08591	11.8
96.08963	0.5
97.02885	2.9
97.06519	3.1
97.10159	2.7
98.21426	0.7
99.04424	0.4
99.08080	0.9
103.05458	0.6
105.07018	17.4
106.07361	0.6
107.04926	3.0
107.08582	9.3
107.09311	0.5
108.08937	0.5
109.02839	0.6
109.06506	2.5
109.10136	6.9
110.10471	0.3
110.45682	0.2
111.04424	0.8
111.08064	1.6
113.06021	0.4
115.05444	0.8
117.06997	8.3
119.04942	0.4
119.08568	12.9
120.08921	0.4
121.06512	2.9
121.10126	6.4
123.04337	0.3
123.08058	1.7
123.11694	1.0
125.09641	2.0
127.03917	1.6
127.07603	0.3
128.06178	1.4
129.06985	6.5
130.07814	0.5
130.08629	0.4
131.04866	0.3
131.08548	14.7
133.06441	1.8
133.10098	9.1
134.10399	0.4
135.04446	0.3
135.08025	2.5
135.11670	3.2
137.09567	1.6
141.06976	2.4
142.07759	0.9
143.08545	5.9
145.04941	1.4
145.06505	1.3
145.10098	10.1
145.11209	0.6
146.10510	0.3
147.08015	2.4
147.11674	4.2
149.05972	0.3
149.09599	2.8
149.13240	1.2
151.11156	1.1
153.06851	0.3
153.09084	0.5
155.08525	3.3
157.06482	0.4
157.10109	4.7
159.08052	1.1
159.11673	4.7
161.09613	1.7
161.13188	1.5
163.06017	1.1
163.07497	0.3
163.11163	1.4
165.09077	0.3
166.07594	0.3
167.08521	1.1
168.09329	0.3
169.10124	2.4
170.10944	0.3
171.08035	0.5
171.11644	3.2
173.04459	0.3
173.09627	1.0
173.11699	0.8
173.13260	1.7
175.11153	1.7
175.14803	0.5
177.12779	1.2
179.08476	0.3
181.10049	1.6
183.11668	2.5
184.07309	0.4
185.09662	0.6
185.13210	2.1
187.11125	1.0
187.14822	1.2
189.11186	0.5
189.12733	0.7
189.16414	0.3
191.10693	0.4
193.10420	0.3
193.12222	2.1
195.11644	1.7
195.13669	0.2
197.13252	2.6
199.11227	0.5
199.14821	1.0
201.12704	0.7
201.16446	0.6
205.12221	0.5
205.15895	0.4
207.11757	0.3
209.13240	1.0
211.14854	1.5
211.16678	0.3
213.12738	0.7
213.16444	0.8
215.14270	0.8
217.15997	0.5
219.13783	0.5
221.15344	0.4
223.13121	0.7
223.15012	0.6
225.16490	0.6
227.12775	1.2
227.18129	0.3
229.14117	1.7
229.16275	0.5
229.19373	0.3
229.53612	0.3
231.17345	0.3
233.15373	0.9
235.17148	0.3
237.16272	0.3
239.17853	0.3
241.16142	0.5
243.17543	0.8
245.19006	0.3
247.16829	1.4
253.14128	1.6
255.17520	0.5
257.18964	0.5
259.16919	0.5
261.18536	0.9
267.15860	5.8
269.19025	0.3
271.17224	0.5
273.18445	1.4
275.20010	2.8
276.20428	0.9
283.15338	0.4
287.19986	0.6
289.17920	0.6
291.19437	3.5
325.25269	1.0
335.23691	0.9
343.26294	1.7
347.22186	0.5
349.23779	1.5
350.24146	0.6
353.24649	4.0
365.23120	2.5
371.25803	3.9
389.26947	3.2
413.28671	0.3
421.25800	0.9
427.28226	0.7
437.24844	0.4
445.29459	100.0
446.29803	3.2
447.27438	0.7
463.30545	21.4
464.30972	0.7
477.28345	0.4
539.33630	1.0
541.35071	1.2
543.36926	0.4
544.36835	0.4
557.34662	5.5
575.35461	0.6
589.35596	0.5
607.34631	0.7
624.43231	0.8
642.44061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.1
57.07059	0.5
59.04982	0.5
61.02922	3.8
65.03926	0.9
66.77609	0.2
67.05494	17.5
69.03421	2.0
69.06676	0.4
69.07055	6.9
70.06599	0.3
70.77814	0.2
70.97109	0.2
71.01359	0.4
71.04988	2.1
71.08610	0.2
71.79214	0.4
73.02899	1.4
77.03924	0.4
79.05481	13.1
80.05817	0.3
80.51302	0.3
81.02931	0.3
81.03410	6.1
81.07043	16.9
82.07346	0.4
83.04965	3.0
83.08607	4.3
84.08144	0.5
85.02892	5.0
85.06523	1.1
91.03432	0.3
91.03951	2.7
91.05465	16.4
92.05779	0.4
93.07027	14.3
93.13764	0.3
94.07380	0.3
95.04962	4.4
95.08591	10.3
97.02876	3.3
97.06516	2.6
97.10149	2.8
99.04433	0.8
99.08078	0.7
101.06002	0.4
103.05471	0.7
105.04507	0.4
105.07014	15.9
106.07333	0.5
107.04940	3.1
107.08577	9.2
109.02871	0.4
109.06496	3.1
109.10144	6.6
111.04411	0.5
111.08082	1.5
115.03957	0.3
115.05431	0.7
117.07002	8.1
119.04935	0.4
119.08562	11.9
120.08895	0.3
121.06477	1.6
121.10122	5.2
123.04328	0.3
123.08051	2.0
123.11693	0.9
125.09609	1.9
127.03885	0.9
128.06195	0.8
129.05463	0.4
129.06984	6.1
130.07722	0.3
130.08609	0.3
131.04857	0.4
131.08549	13.7
132.08888	0.5
133.06471	1.7
133.10106	7.5
135.08018	2.0
135.11667	3.2
137.09569	1.3
139.11166	0.3
141.06985	1.9
142.07777	0.3
143.08531	5.7
145.04942	1.0
145.06406	1.2
145.10098	7.9
146.10458	0.3
147.04367	0.3
147.08038	2.0
147.11667	2.8
148.08362	0.3
149.09601	2.5
149.13237	1.0
151.11133	1.3
153.06836	0.3
153.09100	0.4
155.08514	3.0
157.06561	0.3
157.10100	4.9
158.10696	0.3
159.08023	1.1
159.11659	4.1
161.09601	1.3
161.13257	0.9
163.06000	1.0
163.07323	0.3
163.11162	1.8
167.08534	1.1
169.10080	2.7
171.08034	0.6
171.11652	3.1
173.04475	0.5
173.09569	1.2
173.11804	0.6
173.13263	2.2
175.11154	1.3
175.14761	0.5
175.19012	0.3
177.12721	1.0
179.08551	0.4
179.10634	0.3
181.10083	1.7
183.11664	2.4
185.09676	0.8
185.13261	2.2
187.11237	1.3
187.14798	1.5
189.11189	0.6
189.12677	0.5
189.16441	0.3
191.10612	0.4
191.14313	0.3
193.12245	1.5
195.11658	1.4
197.09491	0.3
197.13234	2.4
199.11188	0.6
199.13084	0.3
199.14815	1.0
201.12665	0.6
201.16338	0.3
203.14314	0.4
205.15886	0.5
207.13748	0.3
209.11482	0.4
209.13237	1.5
211.13173	0.4
211.14908	0.6
213.12743	0.9
213.16362	0.6
215.14265	0.8
215.17975	0.3
219.13794	0.6
223.11096	0.3
223.13010	0.5
223.14854	1.0
225.14565	0.3
225.16510	0.4
227.12607	1.4
229.14153	1.2
231.13742	0.4
231.17316	0.4
233.15373	0.8
237.16380	0.5
239.18152	0.4
241.16014	0.5
245.15544	0.5
245.19012	0.3
247.16949	1.1
253.14166	1.2
257.18994	0.9
259.17053	0.5
261.18622	0.7
267.15854	5.7
269.17426	0.4
271.17218	0.3
273.18457	1.3
275.20020	2.3
276.20331	0.9
283.15451	0.4
283.68234	0.3
287.20007	0.3
289.17975	0.4
289.21732	0.3
291.19464	3.6
305.08752	0.3
316.28351	0.5
325.25232	0.7
335.23639	0.9
343.26303	1.4
347.22089	0.5
349.23740	1.5
350.23956	0.5
353.24658	3.2
363.21722	0.4
365.23193	2.1
371.25781	4.2
389.26871	3.6
421.25803	1.2
427.28244	0.7
445.29443	100.0
446.29807	2.9
447.27301	0.6
463.30527	21.4
464.30850	0.7
477.28653	0.5
529.34241	0.3
539.33380	1.2
541.35278	1.0
543.36456	0.3
544.37335	0.3
557.34570	5.5
557.42767	0.2
559.36389	0.4
575.35718	0.6
589.35266	0.4
607.34729	1.0
624.43311	0.7
642.43958	0.6
688.40552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	22.2
57.07051	4.0
61.02909	5.7
61.94199	1.2
65.03950	6.5
67.05495	93.6
68.05842	2.0
69.03414	8.2
69.07056	20.1
71.04978	7.3
71.08598	1.5
73.02892	2.6
73.06531	1.2
77.03918	1.6
79.05481	65.6
80.05826	1.4
81.03410	14.9
81.07043	72.8
82.07374	2.1
83.04980	7.6
83.08610	11.1
85.02878	6.7
85.06537	18.5
89.57417	1.2
91.03954	3.0
91.05470	74.2
92.05797	2.6
93.07033	65.6
94.07354	2.2
95.01325	3.6
95.04955	70.5
95.08594	46.5
96.08102	1.5
97.02863	7.0
97.06537	11.8
97.10143	5.6
99.04458	1.9
99.08067	3.4
103.05451	2.6
104.61761	1.5
105.07018	65.9
106.07343	2.6
107.04948	17.8
107.08578	41.6
109.06503	68.8
109.10133	14.7
111.04475	1.3
111.08057	4.6
113.05995	49.3
115.05418	5.2
116.06213	2.3
117.07014	32.1
119.04889	1.7
119.08566	41.9
119.09394	2.8
121.06497	9.3
121.09266	1.4
121.10121	21.8
123.04427	1.6
123.08042	12.5
123.11701	4.8
125.09613	3.7
125.30723	1.2
127.03912	1.3
128.06209	4.4
129.05525	1.9
129.06976	18.3
130.07736	4.4
131.04930	1.3
131.08548	46.4
132.08928	1.2
133.06459	5.1
133.09154	2.1
133.10115	34.0
135.08031	48.8
135.11681	18.1
137.06009	1.5
137.09590	4.5
139.11160	1.4
141.06931	6.9
142.07771	2.9
143.08528	23.8
144.09332	1.3
145.06494	6.3
145.10094	35.0
147.08008	10.5
147.11674	17.0
149.09601	8.6
149.13234	10.0
149.50824	1.3
151.07466	1.4
151.11148	2.1
155.08560	7.0
156.09258	1.9
157.10098	16.9
159.08034	5.8
159.11685	24.6
161.09631	11.4
161.13246	13.6
163.11108	7.0
163.14764	2.7
165.12718	1.8
166.07707	2.5
167.08505	2.3
169.10118	11.6
171.11682	15.8
173.09554	3.4
173.11794	2.5
173.13210	14.4
175.11183	4.6
175.14807	8.7
177.12761	7.1
179.14432	1.9
181.10120	3.6
183.11723	7.0
185.09586	2.8
185.13226	8.5
187.11159	6.8
187.14786	5.8
189.11148	1.8
189.12723	2.4
189.16475	1.8
193.10185	1.9
195.11641	4.3
195.13766	2.9
197.13277	5.0
199.11150	2.2
199.14745	7.8
201.12682	3.3
201.16310	2.7
203.14297	1.6
209.13290	2.9
211.14806	3.2
213.16428	3.7
215.14406	1.6
217.15871	12.5
219.11893	1.3
219.13893	1.9
221.13196	1.7
221.15266	1.9
225.16284	1.8
227.17882	2.8
233.15428	1.6
235.14850	1.8
237.16322	1.9
239.17863	2.9
241.14365	4.2
241.19467	10.7
245.18748	1.8
255.17374	4.1
257.19003	5.2
259.20581	17.3
270.56311	1.4
273.15634	2.8
273.18436	30.4
275.19986	8.6
277.21707	1.9
279.15918	17.7
291.19501	79.2
292.19894	2.9
292.53827	1.8
297.17035	2.3
311.23950	1.3
313.21530	1.6
315.23129	5.3
327.26816	5.2
331.22693	1.8
333.24222	40.1
334.24661	2.4
335.25543	2.2
347.22168	9.0
349.24164	2.7
365.23181	17.8
459.32529	1.6
475.35217	1.3
479.66876	1.7
513.36316	4.8
531.38068	4.1
543.36615	4.5
549.39154	4.6
565.38507	2.7
567.39471	1.5
605.41913	16.6
623.43011	100.0
624.43097	6.4
641.44000	31.5
642.44067	2.3
785.47778	1.7
803.50079	3.3
831.85498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	14.9
57.07069	2.0
58.72424	1.3
60.48933	1.2
61.02904	3.8
64.41177	1.1
65.03921	5.6
67.05494	86.9
68.05827	2.2
69.03420	22.9
69.07059	31.3
70.94609	1.3
70.94965	3.8
71.01329	1.9
71.04978	12.0
71.56319	1.2
73.02885	3.7
77.03918	1.4
79.05482	73.4
80.05814	3.0
81.03407	46.1
81.07043	100.0
82.07384	1.4
83.04561	1.5
83.04975	16.8
83.08604	21.5
85.02901	12.3
85.06525	4.4
91.03970	2.8
91.05469	66.2
92.05777	2.4
93.07029	66.5
94.07365	1.8
95.01280	1.6
95.04953	19.7
95.08592	48.5
96.08923	1.5
97.02876	14.4
97.06515	22.5
97.10150	14.7
98.98459	3.5
99.04424	5.8
99.08076	4.8
103.03973	1.8
103.05453	3.2
105.04500	1.6
105.07014	63.1
106.07319	1.9
107.04941	23.5
107.08572	54.2
107.78561	1.4
108.08946	1.4
109.02869	9.4
109.06492	12.7
109.10140	29.3
111.04409	3.7
111.08050	5.3
113.09625	3.0
115.05432	3.9
117.06995	26.2
119.04952	1.6
119.08559	50.2
120.08904	1.5
121.06496	9.3
121.10132	25.3
123.04413	2.4
123.08053	9.1
123.11663	8.5
125.09609	9.8
127.03902	11.0
128.06175	3.2
129.05449	4.0
129.06975	15.9
130.07762	1.5
131.04884	2.4
131.08554	33.4
133.06479	4.5
133.10106	37.3
134.10423	1.7
135.04390	2.1
135.08038	11.4
135.11665	14.8
137.05956	1.4
137.09587	9.0
139.07442	1.7
139.11218	1.5
141.06961	3.9
142.07724	3.0
143.08548	13.4
145.04913	1.3
145.06454	4.7
145.10103	29.8
147.08005	5.2
147.11670	26.6
149.09601	18.6
149.13226	10.1
151.11133	4.4
153.06979	1.5
153.09128	1.7
155.08504	8.6
156.09300	1.4
157.06386	1.9
157.10112	11.6
159.08029	2.4
159.11667	21.0
161.09584	4.8
161.13245	9.3
163.11131	10.7
165.09077	2.2
165.12729	3.1
167.08566	4.0
168.09381	1.5
169.10118	9.6
171.07945	1.3
171.11652	12.4
173.04456	13.5
173.09586	4.0
173.11739	4.3
173.13222	9.3
175.11095	3.6
175.14729	2.5
177.09116	1.5
177.12703	5.6
179.14296	3.3
181.10056	3.6
183.11688	8.7
185.09595	2.2
185.13252	5.5
187.11122	3.5
187.14792	3.8
189.11131	4.6
189.12698	3.2
191.14253	1.8
193.12219	1.2
195.11713	2.7
195.13760	3.4
197.13165	6.4
199.11122	2.7
199.14732	3.2
201.12665	3.7
201.16226	1.8
203.14349	2.2
207.11754	1.9
207.13718	2.3
209.13280	1.8
211.14651	2.8
213.12772	2.0
213.16435	2.5
215.14299	1.8
215.17935	1.8
219.13637	1.8
221.13176	1.4
223.14946	2.1
227.12650	10.3
227.17899	2.0
229.14209	6.4
229.19466	4.3
233.15295	2.6
239.17955	5.8
245.18921	2.0
247.20468	4.1
253.14381	3.0
253.17903	1.5
257.18936	12.9
259.20563	2.1
263.20200	1.6
267.15921	3.9
269.17303	10.0
273.18427	5.1
275.20035	66.6
276.20361	3.8
277.21481	1.5
281.17319	2.6
282.17731	1.8
287.20187	1.4
291.19534	3.0
292.19531	1.5
293.21237	6.2
313.21689	3.3
321.24396	1.7
329.21136	1.8
331.22665	3.7
333.24170	2.1
335.26044	1.6
339.17944	1.5
349.23679	39.6
350.23782	2.3
351.25162	2.5
355.22290	1.9
367.24783	3.6
383.21805	2.5
395.20432	2.2
413.21570	4.2
436.28165	1.5
439.26401	2.0
460.43353	1.9
475.26648	1.4
485.24261	1.3
493.27536	1.8
511.28421	1.3
513.36255	1.8
519.32990	1.6
525.35474	4.4
527.37512	1.6
529.34802	2.9
543.36731	39.9
561.37225	1.9
595.43390	3.3
605.41748	4.6
606.36536	1.9
623.42957	25.2
624.42810	2.3
629.73511	1.6
641.44086	18.1
669.39636	2.0
687.40967	11.2
705.41669	5.0
767.46490	1.7
785.47650	5.3
803.49341	7.8
833.97168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	14.7
57.07067	2.9
59.04991	2.2
60.14115	1.1
61.02913	8.1
65.03918	7.1
67.05494	100.0
68.55943	1.1
69.03421	21.9
69.07059	43.5
69.46441	1.3
71.04980	9.3
71.08617	1.1
73.02899	5.3
77.03909	2.7
79.05481	86.9
81.03403	37.4
81.07042	90.5
83.01305	1.2
83.04966	19.0
83.08604	23.3
85.02898	14.7
85.06536	4.6
87.07515	1.2
91.03951	2.9
91.05466	84.8
92.05781	1.5
93.07030	67.5
95.01303	2.6
95.04954	23.6
95.07986	2.8
95.08595	52.6
97.02878	15.9
97.06521	34.4
97.10154	21.7
99.04453	5.8
99.08096	4.4
101.89432	1.1
103.03944	1.7
103.05459	3.7
104.81583	1.3
105.04539	2.2
105.07017	72.7
107.04941	27.2
107.08575	61.9
109.02848	8.1
109.06513	12.5
109.10138	35.6
111.04427	4.0
111.08080	9.0
113.09623	1.7
115.05456	3.5
116.06228	1.8
117.04601	1.2
117.06996	30.8
119.04899	1.4
119.08563	54.1
121.06461	9.3
121.10134	27.0
123.04475	2.8
123.08051	10.2
123.11680	9.4
125.09615	19.2
127.03899	11.7
128.06192	4.6
129.05457	2.8
129.06984	14.4
130.07761	2.4
131.04926	1.7
131.08549	41.9
133.06458	6.4
133.10104	39.2
135.08037	11.4
135.11670	15.5
137.05920	1.5
137.09586	9.4
139.07555	1.6
139.11157	2.0
141.06990	5.4
142.07773	4.6
143.08549	12.2
143.10587	1.2
144.09319	1.4
145.04980	1.4
145.06461	5.2
145.10107	36.4
147.08040	5.1
147.11661	25.9
149.09592	30.4
149.13232	9.0
151.07526	1.3
151.11171	5.2
153.07039	1.4
153.09094	3.4
154.07828	1.5
155.08539	9.7
156.09351	1.9
157.06413	1.7
157.10124	16.8
159.08057	5.1
159.11659	25.6
161.09584	7.4
161.13210	9.2
163.07576	1.7
163.11151	12.9
163.14822	1.7
165.09050	2.9
165.12733	3.7
167.08600	3.2
168.09335	2.2
169.10094	11.4
171.08055	2.4
171.10213	1.8
171.11632	14.2
173.04491	12.1
173.05920	2.3
173.09654	4.7
173.11720	5.2
173.13255	12.7
175.11162	5.2
175.14809	3.0
176.54492	1.3
177.12724	5.9
179.08508	2.0
179.14314	3.4
180.09308	1.6
181.08615	1.4
181.10138	4.9
183.11658	11.4
185.09616	3.2
185.13258	7.1
187.11145	5.0
187.13251	1.3
187.14806	5.0
189.11192	11.4
189.12729	3.0
191.10664	2.2
191.14240	2.5
193.10202	1.8
193.12245	2.0
195.11682	5.0
195.13683	2.6
197.09666	1.6
197.13260	8.2
197.14844	1.3
199.11143	2.4
199.14847	3.8
201.12688	4.1
201.16481	2.7
205.12273	2.5
207.11684	2.8
207.13663	1.2
209.13304	3.3
211.11336	1.4
211.14803	4.4
213.12810	3.0
213.16364	4.2
215.14339	2.2
215.17924	2.0
217.15927	2.5
219.11821	1.9
219.13847	1.5
223.14857	2.9
225.12790	1.8
225.16357	1.4
227.12721	25.0
227.18004	2.2
229.14265	8.4
229.19463	5.9
231.13770	1.2
233.15295	2.3
237.16341	3.0
239.18076	5.9
241.10585	1.3
245.19162	1.5
247.20526	5.5
251.14371	1.5
251.17924	2.0
255.17574	2.0
257.16245	2.1
257.18918	16.2
259.20569	2.7
267.15872	2.7
269.17429	6.4
273.18448	5.2
275.20023	96.6
276.20422	1.7
287.16565	1.3
291.19626	4.5
293.21133	10.2
299.19992	2.4
301.21661	1.9
313.21585	1.6
315.22998	1.7
327.23102	1.3
331.22699	5.7
349.23679	60.6
350.24091	2.4
351.25354	2.0
367.24628	3.2
383.22174	1.7
385.26999	1.3
395.29483	2.7
409.26111	1.6
413.21625	2.7
419.23883	2.5
445.29468	2.8
455.31082	1.6
457.25317	1.5
469.33359	1.7
503.33701	6.5
511.34625	1.7
513.35907	1.5
516.85553	1.3
519.33112	5.4
525.35736	2.9
527.37091	5.0
529.35229	9.6
531.38074	3.2
541.35309	2.1
543.36829	29.1
549.39209	2.4
561.38348	1.6
565.38086	1.6
567.38635	1.6
587.42847	1.3
595.43488	3.6
605.42023	6.7
623.43018	54.3
624.42352	2.6
641.44037	33.9
687.41010	8.3
705.41748	2.6
767.46875	3.1
785.47748	4.8
803.49176	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	801.461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68634	0.4
57.03369	2.9
57.07013	1.2
58.90010	0.4
59.04964	0.6
61.02857	2.7
65.03897	0.7
67.05495	7.1
67.25978	0.4
69.07063	5.8
69.67351	3.4
71.01297	0.6
71.04985	8.9
71.05334	0.5
73.02908	19.4
73.03296	1.2
73.06503	0.5
73.18813	0.4
79.05483	7.1
81.03398	2.8
81.07046	16.9
81.07493	0.6
83.04902	1.9
83.08614	2.7
85.02898	5.7
85.06538	2.4
87.04403	0.9
91.03921	0.6
91.05463	9.2
91.05998	0.5
93.07032	17.2
95.04945	2.2
95.08595	20.8
96.62266	0.4
97.02875	4.4
97.06453	1.6
97.10080	1.5
98.21391	0.7
99.08073	2.1
103.05405	0.7
105.07018	19.1
107.04877	1.0
107.08580	21.0
109.02802	1.4
109.06513	2.4
109.10137	20.5
111.04371	0.6
111.08074	3.2
113.09534	0.6
114.09057	0.9
115.03906	3.3
115.05383	0.8
117.07005	3.2
119.04872	0.7
119.08569	22.1
121.06420	1.9
121.10133	16.0
121.10963	0.6
122.06038	0.5
123.04366	0.5
123.08059	3.5
123.11684	10.4
125.05849	0.5
125.09614	6.7
127.03838	1.6
127.07501	0.8
127.11182	5.6
128.06146	0.8
129.05421	0.6
129.06952	2.3
130.07663	0.5
131.08556	10.0
133.04919	0.7
133.06435	0.6
133.10114	22.6
134.10468	0.5
135.04395	0.5
135.08012	3.6
135.11664	11.0
137.05914	1.4
137.09581	2.2
137.13239	1.0
138.05411	1.7
139.07478	1.0
139.11084	1.4
141.12625	1.2
142.07651	0.8
143.08554	4.8
143.09543	0.7
143.10651	9.2
144.09206	1.4
145.02728	0.5
145.06393	1.2
145.10106	18.2
146.10435	0.6
147.04332	0.8
147.07936	1.4
147.11665	13.5
148.11978	0.5
149.05922	0.8
149.09590	2.7
149.13220	6.7
151.07449	0.5
151.11087	1.7
153.09067	0.7
153.12653	1.5
155.08467	1.7
156.09261	1.2
157.08879	0.6
157.10098	8.1
159.08017	0.9
159.11673	18.0
161.09625	3.0
161.11913	0.7
161.13234	13.7
163.07451	0.7
163.11183	2.2
163.14810	2.5
165.09026	0.7
165.12680	1.1
167.06868	0.5
167.10608	0.7
169.10094	2.9
171.08041	0.6
171.11665	6.2
173.04495	0.5
173.09537	1.3
173.11859	0.8
173.13237	11.7
175.07451	0.6
175.11069	1.9
175.14804	8.0
177.05330	1.1
177.09071	1.1
177.12671	1.4
177.16353	2.8
178.04967	0.6
179.10588	1.5
179.14224	0.9
181.10013	0.9
183.11667	3.4
185.09483	0.9
185.13226	6.3
186.13802	0.5
187.11087	1.3
187.13245	0.6
187.14792	7.9
188.03307	1.5
189.09030	0.5
189.12643	1.5
189.16341	4.6
191.10576	0.9
191.14189	1.3
191.17897	0.9
193.12158	0.5
193.15836	0.7
195.11594	1.9
195.13373	0.5
197.13194	3.8
199.11089	0.6
199.14787	4.7
200.15063	0.5
201.12538	1.0
201.16377	7.0
203.14235	1.5
203.17877	1.5
205.12093	0.7
205.15865	2.9
206.04498	0.8
207.06403	1.1
207.11667	0.6
207.13692	0.6
207.17386	0.8
209.13222	1.5
211.10956	0.6
211.14787	3.5
213.12729	0.5
213.16353	4.0
215.14229	1.2
215.17920	3.2
217.12109	0.7
217.15788	1.6
219.13733	1.1
219.17332	2.0
221.13213	0.8
221.15369	0.7
223.14740	1.7
225.16348	2.6
227.14314	0.7
227.17940	2.7
229.15733	1.5
229.19427	0.9
231.13651	0.7
231.17328	1.1
233.15359	1.4
233.18903	0.7
235.14706	0.7
235.16800	0.7
235.20334	0.5
237.16261	1.6
239.17867	1.6
241.15669	0.5
241.19455	1.6
243.17320	1.2
245.15334	1.1
247.16968	2.7
249.16220	0.6
249.18513	0.8
251.08197	0.7
251.17923	1.2
253.09691	1.5
253.19460	1.8
255.17233	1.3
255.21085	0.7
257.18973	1.3
259.14291	0.9
259.16907	0.5
259.20425	1.0
263.17917	0.6
265.09711	1.3
265.19553	0.6
267.21011	1.9
269.18918	0.8
271.20428	0.9
272.11398	1.2
273.18420	2.0
273.21808	0.8
275.20209	0.6
279.07565	0.9
279.20996	0.9
281.09183	3.4
281.22195	0.6
283.20496	0.9
285.12317	2.5
285.21982	1.0
287.20074	0.7
291.21014	0.6
293.09106	1.1
294.09787	1.8
295.10544	1.1
295.20544	0.6
297.21887	0.6
301.21561	1.4
303.13358	2.0
306.06293	0.6
307.07156	2.2
307.24115	1.0
309.22049	0.9
313.11716	0.6
313.21613	1.9
315.23065	0.8
321.08755	1.2
325.07962	0.6
325.25143	0.8
327.23013	0.6
331.22937	0.6
335.27457	0.6
339.09592	3.5
341.24536	0.7
351.26825	0.5
353.28436	1.7
367.26163	0.7
367.30173	0.6
377.28195	1.2
381.10699	1.4
381.31647	1.0
393.31488	1.6
395.29321	4.5
407.33322	0.6
411.32629	0.9
413.30487	4.9
417.31436	0.9
420.19312	0.6
423.32504	3.0
427.11356	0.8
435.32526	5.4
441.33694	3.3
453.33548	10.4
459.27481	1.3
459.34351	0.6
465.12827	1.2
471.34656	20.2
472.35263	1.1
474.36432	0.5
475.36877	0.7
477.28406	1.0
483.13831	0.7
489.35706	100.0
490.36078	4.6
507.36676	8.4
508.37140	0.8
511.13351	1.8
603.38800	6.0
607.22296	0.6
621.39905	96.6
622.40436	3.5
625.22534	0.7
634.23822	0.5
639.41272	3.6
667.23584	0.8
669.42450	0.7
733.24445	0.8
769.27460	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	1.7
70.06570	2.2
70.69194	6.4
77.67903	1.4
78.42605	2.3
81.03391	2.7
85.02884	9.4
91.05471	2.5
93.03377	4.9
95.04964	2.5
97.02856	4.9
103.03921	1.9
105.06987	2.0
107.04943	7.3
109.02859	6.8
111.00794	2.2
115.05418	2.9
117.07002	3.0
118.06523	22.1
119.04891	4.3
121.02882	9.0
121.06496	2.1
123.04417	6.4
130.06477	2.4
131.04974	1.8
132.08064	4.7
135.04343	9.0
137.05940	2.8
139.03896	3.9
142.06599	1.6
143.04909	1.7
143.07303	1.8
144.08031	11.2
145.06444	2.1
146.05984	87.7
147.04391	9.7
147.06279	1.8
149.02278	2.6
151.03938	5.3
153.01775	3.9
159.04419	4.5
159.09145	7.2
161.02283	2.7
161.05991	5.8
163.03880	11.1
165.01842	3.9
165.05414	1.5
170.06006	8.1
173.02394	3.4
173.05965	4.0
175.00275	3.3
175.03865	3.6
175.07518	2.5
177.01845	7.0
177.05434	6.5
183.02893	4.1
187.03944	4.5
188.07040	100.0
189.01781	9.4
189.05444	3.9
189.07314	2.9
191.03404	9.5
195.02867	21.5
201.01772	2.5
201.05402	8.4
203.03371	4.2
205.01306	2.4
205.05016	2.9
205.09679	37.1
207.02834	23.6
209.04402	2.7
215.03377	7.1
217.04950	2.8
219.02846	56.3
220.03201	3.3
221.04448	5.3
223.02321	9.5
225.03885	20.8
227.03363	4.1
229.05042	12.0
231.02866	20.0
233.04414	13.7
235.02388	2.9
237.03886	22.0
241.04890	2.7
243.02895	15.2
243.06593	3.6
245.04462	4.6
247.05940	4.1
249.03896	18.3
255.02859	3.2
257.04327	10.6
259.02484	2.8
261.03915	69.7
269.04398	4.7
271.06073	2.2
273.03873	27.5
275.05380	3.8
281.04462	2.4
285.03906	35.0
285.07004	2.1
287.05344	2.1
291.04926	18.1
297.03851	8.4
297.07520	7.4
299.05490	6.1
303.04950	22.0
309.03632	2.2
309.07410	3.2
315.05063	7.8
321.06009	13.0
327.04910	28.2
327.08603	15.5
339.08395	20.6
345.06085	6.7
351.08542	11.3
357.09528	7.3
363.07059	18.7
369.05914	4.4
375.06964	2.2
381.09576	16.8
387.07043	4.6
393.09534	11.6
405.08398	22.3
409.09045	3.4
411.10593	7.6
417.09854	3.1
423.10071	17.6
429.11792	21.7
441.10944	36.3
447.10751	21.0
459.12787	85.8
460.13135	2.4
465.11884	4.8
477.13272	7.2
483.12711	22.5
489.11353	2.0
495.12753	8.7
507.12857	7.3
513.13696	5.6
525.13940	33.0
543.14929	32.6
561.15912	9.5
766.02417	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.4
57.07064	10.2
59.04975	3.1
67.05494	82.2
69.03413	9.2
69.07055	63.7
71.04978	6.8
71.08614	5.0
71.11566	3.5
79.05476	44.1
81.03400	14.1
81.07043	94.1
83.04959	11.6
83.08605	35.1
83.71638	2.2
85.02877	9.8
85.06536	5.8
85.10145	3.9
91.05463	35.8
93.07027	62.9
95.04946	8.9
95.08594	48.5
96.08031	2.2
97.02859	7.1
97.06503	17.0
97.10155	20.1
99.04420	2.2
99.08028	3.0
105.07015	24.2
107.04907	6.6
107.08579	40.1
109.06516	3.3
109.10136	17.0
111.04451	2.6
111.08060	7.8
111.11684	5.6
113.09638	2.7
115.05417	2.9
117.06998	15.8
119.08574	20.3
121.06499	2.4
121.10117	31.5
123.08051	4.7
123.11682	10.2
125.09633	4.9
127.03880	4.3
129.05429	3.0
129.06978	6.0
131.08563	14.1
133.10109	19.9
135.08017	3.9
135.11659	25.7
137.09549	3.5
137.13210	3.1
145.10115	15.4
147.11661	9.5
149.09596	12.6
149.13219	13.4
157.10159	3.4
159.11667	13.6
161.13196	5.0
163.11168	7.0
173.04405	3.0
173.13232	5.5
177.12723	4.3
179.14436	2.6
184.07335	6.6
195.13765	7.2
214.15474	2.3
226.27766	2.2
227.12743	4.0
237.22066	5.1
239.17891	3.1
251.16229	2.7
255.15868	18.4
257.18933	7.0
267.15979	5.1
269.17429	36.3
275.19995	24.9
293.17780	2.6
293.21121	3.4
309.20410	2.6
311.25751	99.1
312.25934	2.7
313.27466	2.1
331.22464	2.9
349.23721	25.5
367.24829	6.7
396.85208	2.4
404.33545	2.3
491.37250	27.7
505.38791	100.0
506.39319	2.7
545.41595	3.0
585.44983	35.0
603.46167	13.1
833.67377	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	799.4814
Annotation	Astraverrucin IV
Peak:m/z	Relative Intensity
56.37829	0.3
57.03428	10.9
57.07072	1.9
59.04996	2.0
61.02922	2.6
65.03944	0.9
67.05494	6.3
69.03421	8.2
69.07056	5.3
69.07421	0.6
70.06573	0.7
71.01347	1.7
71.04980	62.8
71.08637	0.4
71.79293	0.5
71.79669	0.5
72.05315	1.7
72.08141	0.7
73.02907	4.3
73.06545	0.7
75.04467	5.6
77.03915	0.3
79.05472	5.0
81.03407	4.2
81.07043	13.4
81.95203	0.3
82.07394	0.5
83.04966	16.5
83.08616	3.0
84.04505	0.6
84.05307	1.1
84.08134	0.7
85.02890	100.0
85.06514	1.4
85.12198	0.3
86.03228	2.7
86.06068	0.6
86.09653	0.4
87.03297	0.7
87.04462	2.6
91.03954	1.3
91.05458	6.0
93.07030	12.0
94.07359	0.6
95.04954	3.0
95.08588	21.0
96.08932	1.2
97.02871	7.8
97.06510	1.9
97.10158	1.9
97.12169	0.3
98.06043	0.5
98.06847	0.3
99.04437	3.4
99.08074	1.6
101.05996	0.8
103.03942	0.8
103.05448	0.9
105.07010	10.8
106.07321	0.7
107.04949	1.2
107.08578	18.1
108.08893	0.7
109.02854	3.2
109.06498	1.7
109.10138	16.9
110.10454	0.6
111.04424	6.2
111.08058	0.5
113.05984	0.6
113.09628	0.6
114.09153	1.5
114.10289	0.4
115.03941	0.5
115.05433	0.6
117.05514	2.0
117.06985	2.1
119.04900	1.0
119.08556	14.7
120.08913	0.7
121.02905	0.4
121.06506	2.1
121.10123	15.3
122.10472	0.8
123.04410	0.7
123.08048	3.7
123.11688	10.3
124.08405	0.7
125.05952	0.8
125.09609	6.2
127.03906	6.2
127.11169	4.3
129.05457	28.0
129.07001	1.1
130.05788	1.5
130.08629	1.5
131.04907	0.6
131.08534	5.6
133.06468	1.2
133.10107	14.0
134.10460	0.7
135.04379	0.9
135.08046	2.8
135.11670	12.6
136.06187	0.5
137.05977	2.0
137.09599	9.6
137.13225	5.8
138.09923	4.0
139.07544	0.6
139.10170	0.5
139.11159	1.3
141.06963	0.6
141.09088	1.6
141.12715	1.7
142.07765	0.4
143.08553	3.0
143.10646	6.9
145.02831	1.1
145.04903	2.7
145.06476	0.7
145.10101	8.6
146.10426	0.8
147.04463	3.0
147.06496	8.1
147.07985	1.3
147.11662	9.0
148.06845	0.5
149.05956	0.4
149.09604	1.5
149.13231	5.7
150.13547	0.5
151.03883	0.6
151.07550	1.0
151.11162	0.7
151.14743	0.5
153.05420	0.9
153.09109	0.8
153.12692	2.0
155.08531	0.9
157.06639	0.4
157.10103	4.8
158.10695	0.4
159.08041	1.3
159.10185	1.1
159.11661	8.3
160.09636	0.6
160.12054	0.5
161.05971	0.6
161.09619	2.0
161.13232	6.6
163.03891	1.6
163.05981	1.6
163.07498	1.2
163.11168	1.6
163.14789	3.9
165.09084	0.9
165.12727	0.8
167.07028	1.5
167.10582	0.4
169.04814	0.6
169.10109	1.6
171.08130	0.5
171.11661	3.9
172.12189	0.4
172.23352	0.4
173.09589	1.5
173.13231	6.1
174.13782	0.4
175.03839	0.5
175.11163	1.7
175.14793	4.4
177.05478	2.4
177.09065	0.7
177.12766	0.6
177.16370	2.7
179.06996	0.6
179.10663	1.1
179.14236	0.6
181.04874	0.5
181.10023	0.6
181.12227	0.6
183.11644	1.7
184.12161	0.4
185.09676	0.6
185.13213	3.1
187.11151	1.1
187.14775	5.2
188.15195	0.5
189.09090	0.7
189.12683	1.5
189.16359	4.9
190.16603	0.5
191.10547	0.6
191.14319	0.6
191.17917	4.7
193.12267	0.6
193.15775	0.4
194.10916	0.4
195.11618	1.0
197.13243	1.5
198.11287	0.4
199.14798	2.8
201.12636	0.6
201.16354	4.7
202.16747	0.4
203.10521	0.4
203.14302	0.8
203.17952	3.8
205.12186	0.8
205.15842	0.7
207.06433	1.3
207.17397	0.5
209.13257	1.0
210.13667	0.5
211.14786	1.8
213.12758	0.4
213.16408	2.6
215.14256	1.0
215.17894	1.4
217.10503	0.4
217.12367	0.5
217.15805	0.7
217.19467	2.3
219.13733	0.8
219.17307	0.4
223.14734	0.7
225.16426	0.9
227.14249	0.8
227.17802	1.2
229.12152	0.4
229.15883	0.9
229.19490	0.7
231.13829	0.6
233.15266	1.3
235.16820	0.7
237.16452	0.6
239.17842	0.8
241.15787	0.6
241.19395	1.5
243.17453	0.7
243.20973	1.2
245.15347	0.7
245.19005	0.7
247.16896	2.7
253.19394	0.8
255.08603	0.7
255.20969	2.1
259.16705	0.5
259.20645	0.9
261.18652	0.6
265.17807	0.4
267.21210	0.5
269.22546	0.9
271.20413	0.6
273.09464	0.5
273.22098	1.0
275.20062	0.9
277.11841	0.4
281.22784	0.8
283.20462	0.6
285.21991	0.9
287.20020	0.5
289.21512	0.5
291.10971	0.5
293.22461	1.0
297.22018	0.8
299.23459	0.7
301.21472	1.1
309.11710	0.5
311.23566	0.9
313.21561	0.8
313.24875	0.4
315.23166	3.7
339.26834	0.8
341.24579	0.7
351.26624	0.7
359.14648	0.5
359.25168	0.4
367.29736	1.1
369.27625	1.3
381.27420	0.8
383.29279	0.8
395.33331	3.0
409.34415	2.2
419.32996	3.8
425.33963	0.8
427.35553	0.5
435.32037	0.7
436.32858	0.9
437.34094	15.2
438.34100	0.9
453.33389	1.6
454.33884	2.2
455.35107	45.2
456.35443	1.8
471.34213	1.3
472.34854	1.2
473.36176	47.8
474.36597	2.2
475.26740	0.5
489.35529	0.4
491.37302	2.7
617.40320	0.6
619.40875	0.6
635.41406	17.2
636.41614	0.9
652.40808	1.0
653.41638	2.8
763.45776	3.1
781.47083	25.8
782.46838	1.3
799.47607	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	797.516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
57.07059	0.5
61.02917	8.4
61.03224	0.8
66.91852	0.4
67.05139	0.6
67.05495	9.3
69.03422	4.8
69.07046	2.1
71.01355	0.8
71.34999	1.0
73.02899	6.3
75.04477	0.5
79.05477	4.6
79.29971	0.5
81.03419	2.5
81.07042	9.0
83.08624	0.5
84.56594	0.4
85.02892	8.3
87.04467	0.5
91.03946	4.9
91.05467	3.2
93.07025	7.1
95.04958	0.9
95.08596	6.8
97.02877	5.9
97.06535	0.4
97.10146	0.5
99.04460	1.8
101.02361	2.6
103.03915	0.5
105.06996	2.4
107.08574	3.5
109.02865	1.0
109.10146	2.4
115.03955	0.6
117.07084	0.6
119.08590	1.7
121.10115	2.4
123.11652	0.5
127.03921	2.1
131.08571	1.3
133.10078	1.0
135.11702	1.6
145.10092	1.0
147.11674	1.1
149.13242	0.7
159.11743	0.8
159.23851	0.4
161.13339	0.5
173.13283	0.7
185.04272	0.9
187.14745	0.5
203.05284	0.7
243.08444	2.2
335.25833	1.2
352.71530	0.5
398.30533	0.6
519.29205	12.6
519.36835	0.8
520.29645	0.7
797.51593	100.0
798.52112	10.4
798.65997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4816
Annotation	Hydroxysaikosaponin A
Peak:m/z	Relative Intensity
57.03423	13.7
57.07058	1.8
59.04976	2.3
61.02900	3.4
61.33860	1.0
65.03938	1.5
67.05496	11.8
69.03416	9.7
69.07060	8.4
70.06547	1.0
70.55591	1.2
71.01340	1.2
71.04977	76.5
71.16369	0.9
71.79518	1.1
71.79876	1.4
72.05302	1.6
73.02914	4.8
75.04455	4.2
77.03911	0.9
79.05485	9.8
81.03399	5.8
81.06592	1.6
81.07040	22.8
82.90640	0.9
83.04967	13.3
83.08601	4.8
85.02887	100.0
85.06532	3.5
86.03232	1.5
87.04443	2.7
91.03937	1.6
91.05464	11.4
93.07030	17.8
95.04938	3.8
95.08591	21.9
97.02872	9.1
97.06499	3.3
97.10144	5.0
97.34526	0.9
99.04438	3.4
99.08093	5.8
103.03918	1.2
105.07015	20.4
106.07321	1.3
107.04946	1.1
107.08572	32.7
109.02863	3.7
109.06503	4.2
109.10130	22.1
111.04428	7.9
111.08052	3.8
117.05503	1.4
117.06992	2.2
119.08559	18.5
121.06549	2.4
121.10123	21.2
122.10457	1.3
123.04320	1.2
123.08043	2.7
123.11675	7.7
125.06010	1.9
125.09598	22.0
127.03863	6.0
127.07531	2.5
127.11169	3.9
129.05455	22.3
129.06958	2.4
131.08548	8.5
132.08931	1.1
133.10091	19.8
134.10396	1.5
135.08038	10.5
135.11670	10.3
137.09595	4.4
137.13245	1.6
142.07774	1.1
143.08516	3.2
143.10654	33.7
145.04955	3.2
145.10107	16.9
147.04390	1.9
147.06490	8.2
147.11658	13.3
149.09586	13.7
149.13225	12.5
151.11133	2.7
155.08543	1.3
156.09323	1.6
157.10088	6.7
159.07957	1.2
159.11674	15.1
161.09586	2.2
161.13234	17.2
163.03864	1.2
163.05991	1.7
163.11160	2.1
163.14764	3.5
169.10104	2.8
171.11629	5.6
173.13240	9.4
174.13570	1.0
175.11206	2.3
175.14763	6.6
177.05516	1.5
177.12740	1.5
177.16367	5.8
183.11681	1.8
185.13217	4.0
187.14806	7.6
189.12773	2.2
189.16344	13.5
191.14276	1.8
191.17946	2.2
195.11653	1.5
197.13248	2.4
199.14737	5.7
201.16290	6.4
203.17911	3.7
205.15759	5.9
207.17380	5.5
209.13324	1.2
209.15308	1.2
211.14769	1.8
213.16360	4.4
215.14314	1.3
215.17918	5.8
217.15817	6.6
217.19447	2.3
219.17357	1.6
225.16354	1.8
227.17879	2.3
231.17371	6.4
233.15346	3.2
233.18971	1.8
235.16887	2.6
237.16391	1.3
239.17957	2.1
241.19467	1.9
245.18979	1.5
249.18521	3.6
255.20973	1.5
299.23633	1.3
309.11768	2.0
311.23550	1.9
313.25479	1.2
327.26727	1.5
331.26300	2.1
339.26596	1.6
357.27890	1.5
367.30026	1.2
379.29822	5.4
395.32779	1.1
397.31015	10.7
407.33209	5.0
419.33081	8.4
425.34052	8.4
437.34100	30.6
454.33643	1.6
455.35138	48.5
456.35458	3.2
471.34555	1.6
473.36182	42.2
473.43015	2.1
489.35382	1.5
490.36172	1.3
491.36829	3.4
503.33777	2.1
583.39557	1.2
601.40247	1.9
617.40320	2.0
619.41846	5.5
635.41382	11.7
763.45929	3.4
781.47095	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	797.4663
Annotation	Bacopaside N1
Peak:m/z	Relative Intensity
57.03421	2.4
57.07094	1.6
59.05008	0.8
59.50515	0.4
61.02660	0.6
61.02902	2.5
61.23980	0.3
65.03962	0.6
67.05488	8.6
69.03413	6.9
69.07054	7.6
69.46635	3.9
71.04986	6.7
73.02928	1.4
79.05472	5.5
81.03403	4.4
81.07039	16.3
83.05001	1.7
83.08601	3.1
85.02888	28.4
85.06544	1.1
87.04473	0.5
91.03968	1.0
91.05464	6.7
93.07024	15.2
95.04959	3.2
95.08586	24.7
96.08984	0.5
97.02877	8.2
97.06521	2.4
97.07085	0.3
97.10127	1.9
99.04485	1.3
99.08076	2.4
103.05511	0.4
105.07007	11.6
107.04978	0.7
107.08568	23.1
109.02875	2.6
109.06512	3.4
109.10136	26.6
111.08095	1.9
111.11708	0.9
113.09669	1.0
115.05397	0.4
117.07005	2.2
119.08549	17.6
120.08897	0.5
121.06474	3.0
121.10119	18.1
122.10416	0.4
123.08038	1.8
123.11684	11.0
125.09601	3.9
127.03869	5.4
127.07529	0.5
127.11169	6.2
128.06212	0.6
129.05496	0.7
129.07053	1.0
131.08542	6.6
131.09404	0.5
133.06525	0.5
133.10104	16.2
134.10463	0.4
135.08006	2.5
135.11658	20.3
136.06288	0.6
137.09576	2.8
137.13240	3.4
137.14206	0.5
139.11150	1.8
141.12759	0.8
143.08525	3.2
143.10706	1.1
144.09364	0.4
145.04942	5.0
145.10086	9.6
147.04533	0.4
147.08008	1.9
147.11653	10.8
149.09566	2.8
149.13216	7.6
151.11209	1.1
153.12761	1.8
155.08583	1.1
155.10695	1.0
156.09297	0.7
157.10068	4.9
159.08087	1.0
159.11665	9.9
159.12891	0.7
161.09578	2.7
161.13232	9.0
161.14476	0.5
163.06073	1.6
163.11221	1.5
163.14806	5.6
163.15979	0.5
165.12793	1.0
167.14371	0.5
169.10118	1.8
170.10948	0.5
171.11638	4.3
173.09665	1.2
173.13219	7.7
173.14529	0.6
175.11182	1.9
175.14793	5.1
177.12790	1.3
177.16319	2.7
179.10754	1.0
179.14354	1.8
181.10191	0.5
183.11665	2.6
185.13206	4.3
187.11191	0.9
187.14780	6.8
187.16309	0.5
189.12776	1.4
189.16336	5.9
191.10802	0.5
191.14352	1.5
191.17882	6.1
191.19421	0.4
195.11781	0.6
195.13794	1.0
197.13214	2.4
199.14777	3.6
201.12811	1.4
201.16318	5.0
203.14449	1.2
203.17915	7.1
203.19594	0.6
205.12206	0.4
205.15871	0.9
207.13861	0.8
207.17532	1.1
209.13266	0.7
211.14740	2.5
213.12784	0.6
213.16356	2.2
215.14345	1.3
215.17957	2.6
217.15959	1.4
217.19400	2.0
219.13924	0.5
219.17429	0.6
223.14861	1.2
225.16406	1.5
227.17924	2.1
229.15956	1.6
229.19493	1.1
231.13493	0.4
231.17508	1.0
233.15430	1.7
235.14783	0.4
235.16951	0.9
237.16396	0.5
239.18121	0.8
241.19562	1.7
243.17458	0.9
243.21036	3.7
245.15341	0.6
247.16862	2.0
251.17897	0.5
253.19655	1.3
255.21169	1.6
257.19061	0.8
259.20639	0.6
261.22043	2.8
267.20966	2.0
269.19028	0.6
269.22528	0.6
271.20621	1.2
273.22089	0.7
279.21112	0.7
283.20538	0.8
285.22064	4.2
287.19913	1.1
293.22656	0.4
295.20789	0.4
297.22180	0.7
299.23566	0.4
301.21616	1.2
303.23117	11.4
305.22440	0.4
311.23700	1.5
313.21765	0.5
313.25171	0.8
315.23254	1.7
327.26840	0.5
329.24619	0.6
333.25061	0.4
339.26987	1.2
341.24716	0.5
347.26019	0.4
349.25046	0.6
349.29041	0.5
351.26645	0.6
367.30191	0.7
369.27707	0.8
373.27072	0.5
387.28729	3.9
395.32968	1.5
407.32944	2.7
409.34805	1.8
419.32959	6.3
425.34109	7.2
435.32407	0.7
437.34082	12.8
438.34369	1.0
443.35101	6.4
444.35239	0.5
453.33514	1.0
455.35132	56.7
456.35501	4.2
471.34641	0.7
473.36179	100.0
474.36511	6.5
489.35516	0.5
541.51593	0.5
617.39911	0.5
633.40326	0.4
716.33600	0.4
779.45142	0.9
797.42725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	14.6
57.07056	1.9
59.04986	1.5
61.02915	12.3
65.03922	1.3
67.05492	19.9
69.03426	7.8
69.07056	19.7
70.51305	1.3
71.01335	1.8
71.04979	63.6
73.02913	6.0
75.04468	5.8
79.05475	12.4
81.03401	3.0
81.07041	37.7
83.04964	13.9
83.08602	5.8
85.02889	100.0
85.06503	2.0
86.03240	1.2
87.04453	3.1
91.03947	7.8
91.05463	12.8
93.06416	0.9
93.07026	26.5
95.04951	4.4
95.08588	33.7
96.08947	0.8
97.02874	11.6
97.06509	4.4
97.10152	6.0
99.04457	3.8
99.08073	5.5
100.02256	0.6
101.06026	1.0
103.03886	0.8
103.05495	0.8
105.04481	0.6
105.07008	32.2
107.04955	2.0
107.08572	39.5
109.02888	2.2
109.06517	5.2
109.10138	51.7
110.10469	0.7
111.04428	7.9
111.08073	7.4
111.11697	0.8
115.03937	0.9
115.05431	1.5
117.05455	0.8
117.06996	5.2
119.04919	0.7
119.08559	29.3
120.08915	0.8
121.06516	4.3
121.09236	1.3
121.10121	25.8
123.04418	1.5
123.08035	3.6
123.11684	18.7
125.05979	1.1
125.09612	15.6
127.03902	4.4
127.11195	2.5
128.06213	1.2
129.05461	23.9
129.06897	3.0
131.08548	17.9
133.06494	0.9
133.10103	26.5
135.08035	3.8
135.11668	16.6
136.06142	0.8
137.09607	5.2
137.13177	3.6
139.03870	0.9
139.07521	1.1
139.11147	1.8
141.06975	1.3
142.07759	1.8
143.08536	10.3
143.10643	6.7
144.09344	1.6
145.04959	5.1
145.06456	1.2
145.10098	23.7
147.04465	1.7
147.06497	10.1
147.07935	3.1
147.11658	19.7
149.09583	5.3
149.13228	13.0
151.07564	1.1
151.11172	2.4
153.09088	1.0
153.12718	0.9
155.08530	4.2
156.09341	1.1
157.10114	14.2
158.10835	0.6
159.08035	2.4
159.11671	23.6
161.09590	4.2
161.13232	19.1
163.03908	1.9
163.06023	1.5
163.07498	2.5
163.11133	2.6
163.14769	5.0
164.84158	0.6
165.07751	0.7
165.09152	2.0
165.12730	1.5
167.08572	0.8
167.10719	1.1
169.10106	6.0
170.10794	0.7
171.11650	11.4
173.09641	2.3
173.13229	15.5
174.13701	0.6
175.11183	2.7
175.14787	11.1
177.05528	1.4
177.09122	2.3
177.12773	3.1
177.16321	4.8
179.10664	1.5
179.14308	1.2
181.10147	1.8
183.11671	7.0
185.09657	1.2
185.13223	9.7
187.11217	2.4
187.14767	13.9
187.16286	0.8
188.15160	0.6
189.12755	2.6
189.16389	7.2
191.10683	1.9
191.14378	1.8
191.17882	4.3
193.10313	0.9
193.12204	1.5
193.15892	0.7
195.06445	0.9
195.11671	2.9
195.13669	1.2
197.09637	0.9
197.13211	5.4
199.11186	1.3
199.14769	8.8
201.08939	0.7
201.12770	1.9
201.16373	10.8
202.16692	0.7
203.10701	0.8
203.14223	2.9
203.17924	4.2
205.12242	0.9
205.15819	3.4
207.11775	1.3
207.17471	2.3
209.13318	3.4
211.11226	0.6
211.14771	4.7
212.15614	0.9
213.12766	2.0
213.16312	6.8
215.14331	3.5
215.17889	4.0
217.12282	0.9
217.15935	2.5
217.19391	0.8
219.13693	1.4
219.17361	1.3
221.13347	1.4
221.15466	1.0
223.14813	2.3
225.16330	3.3
227.14397	1.9
227.17844	3.9
229.15886	2.2
229.19559	1.2
231.13800	2.1
231.17381	1.5
233.15408	2.1
235.14819	1.4
237.16376	2.3
239.14360	1.2
239.17847	3.4
241.15883	1.2
241.19514	5.4
243.13786	0.8
243.17451	1.3
243.21138	1.9
245.15462	3.5
245.18982	0.8
247.16875	4.3
249.16414	1.3
251.18037	2.6
253.19476	4.7
255.08597	1.0
255.17517	1.6
255.21216	1.7
257.15265	0.9
257.19067	2.0
257.22388	0.7
259.17065	0.8
259.20581	4.2
265.19620	1.6
267.17456	0.7
267.21161	3.0
269.19052	1.1
269.22678	1.1
271.16983	1.7
271.20566	1.9
273.18445	2.1
277.19489	0.7
279.21161	2.5
281.19525	0.7
281.22687	2.8
283.20572	2.2
283.24094	1.1
285.18768	0.8
285.22180	1.0
291.20935	1.5
293.22540	3.3
295.20682	1.6
295.23953	1.0
297.22214	2.0
299.20486	1.0
299.23724	2.7
301.21658	1.9
307.24255	1.9
309.11786	1.4
309.22122	2.9
311.20279	1.3
311.23752	4.9
313.21753	4.7
313.24982	1.1
315.19635	1.0
315.23248	1.7
319.24295	1.3
321.25681	1.1
323.23956	1.1
325.25177	1.0
327.23190	2.8
329.24759	2.6
331.22672	0.8
335.27182	1.0
337.25217	2.0
339.22952	0.7
339.26822	1.3
347.27246	0.8
349.25433	1.2
353.24887	2.1
355.26434	1.2
359.27597	0.7
361.25366	1.2
365.28629	1.4
367.26263	3.7
371.25797	1.6
375.30609	1.5
377.28479	1.9
379.26254	0.8
385.27182	3.2
387.30374	0.8
387.92987	0.7
389.31903	0.9
393.31506	2.6
395.29242	6.2
403.28415	1.7
405.31711	2.1
407.28024	1.4
407.32953	10.1
411.32733	3.9
415.28613	1.2
417.31537	5.0
423.32422	8.3
425.34048	13.9
435.32538	22.3
436.33240	1.2
437.34097	1.0
441.33557	4.4
443.35416	0.7
453.33566	45.5
454.33948	1.5
455.35156	1.0
471.34647	38.2
472.34851	2.2
473.36075	0.9
489.35687	24.5
490.36542	1.0
494.71536	0.7
563.37421	1.2
569.33331	0.9
581.38525	0.9
599.38916	1.0
615.38904	1.0
617.40564	2.9
633.39856	16.8
634.40216	0.9
635.41144	1.1
651.40906	30.0
652.41339	1.0
779.45734	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	797.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	11.0
57.07057	1.5
59.04990	2.6
61.02905	1.4
65.03913	0.7
67.05486	5.5
69.03413	6.7
69.07058	4.0
71.01336	1.7
71.04978	62.2
73.02904	3.6
75.04459	5.9
79.05470	4.5
81.03416	2.6
81.07045	8.7
83.04964	36.1
83.08605	1.8
85.02888	100.0
85.06509	0.5
87.04453	2.5
91.03949	0.8
91.05462	4.6
93.07028	8.8
95.04485	0.3
95.04971	2.9
95.08585	18.3
96.08990	0.4
97.02876	6.2
97.06499	2.5
97.10139	1.0
98.20632	0.8
99.04436	3.6
99.08104	0.7
101.05981	0.7
103.03931	0.8
105.07011	7.2
107.04939	0.9
107.08575	11.1
107.09299	0.5
109.02848	2.0
109.06502	2.6
109.10139	9.8
111.04414	6.8
111.08067	0.7
111.11698	0.9
113.05987	1.1
113.09647	2.0
115.05449	0.5
116.06192	0.4
117.05481	1.1
117.07001	1.7
119.08553	10.7
121.06513	1.9
121.10118	9.9
121.10955	0.7
122.07271	1.7
123.04423	0.6
123.08044	13.1
123.11688	4.5
125.09613	2.2
127.03893	5.0
127.11273	0.5
128.06238	0.4
129.05455	28.1
131.08548	3.9
133.06494	0.5
133.10112	8.2
135.08044	1.7
135.11671	10.8
137.09589	74.9
137.13179	3.6
138.09995	1.2
139.11186	0.6
141.05502	0.4
141.09091	5.4
142.07739	0.4
143.08556	2.9
143.10596	0.4
145.04929	2.5
145.10100	5.5
147.06508	11.3
147.07819	0.8
147.11665	5.7
149.09654	1.1
149.13220	3.9
151.07536	0.4
151.11182	1.3
151.33038	0.4
153.09067	0.4
155.08589	1.3
156.09331	0.6
157.10109	3.5
159.08031	1.2
159.10197	1.6
159.11697	4.8
161.09543	2.0
161.13254	4.4
163.06007	1.6
163.07422	0.6
163.11156	1.1
163.14787	2.4
165.07587	0.4
169.04999	0.5
169.10139	1.4
170.10870	0.5
171.11679	3.1
173.09608	1.4
173.13217	3.5
175.07352	0.5
175.11185	1.5
175.14735	2.8
177.09131	0.8
177.12772	1.8
177.16377	1.4
179.10677	2.8
179.14333	0.6
181.10069	0.5
183.11642	1.9
185.09642	0.6
185.13252	2.5
187.11218	0.7
187.14771	3.7
189.09175	0.4
189.12834	1.2
189.16331	2.3
191.10680	0.5
191.14291	0.7
191.17900	2.9
193.12221	1.0
195.11734	1.2
197.13264	1.6
199.09619	0.5
199.11249	0.8
199.14848	1.7
201.12787	1.1
201.16347	2.6
203.14296	1.0
203.17870	2.1
205.12196	0.6
205.15906	0.5
209.13298	1.0
211.14841	1.4
213.12791	1.0
213.16446	1.1
215.14308	0.8
215.18013	1.0
217.10706	1.2
217.15869	0.5
217.19525	1.1
219.13782	0.8
223.14900	1.1
225.07738	0.5
225.16359	0.9
227.14238	0.8
227.18018	1.0
229.12135	0.8
229.15860	1.1
229.19557	0.8
231.13776	1.1
231.17470	0.5
237.16440	1.5
239.17967	1.0
241.15857	0.6
243.21033	1.9
245.15411	1.0
247.13251	0.8
249.14813	0.5
251.17889	0.9
253.19577	0.9
255.08659	1.1
255.14540	0.4
255.17470	0.7
255.21078	1.1
261.14893	0.5
267.21210	0.8
273.09583	0.7
279.21072	0.5
281.22589	1.3
283.16931	0.5
283.24222	1.6
293.22549	3.2
295.20898	0.4
295.24069	0.9
297.22037	0.9
299.19977	0.9
309.11862	0.8
311.23651	3.0
313.21591	1.2
313.25339	1.8
315.23157	0.7
321.25778	1.3
323.27463	0.8
327.23087	0.5
329.24850	1.0
339.23251	0.9
339.26898	1.1
349.25177	2.2
357.24179	5.4
363.27094	0.7
365.28519	2.0
367.26508	1.2
375.25342	0.9
381.28027	1.2
383.29416	3.9
393.31589	1.9
395.29663	0.5
401.30585	1.1
407.33170	1.2
411.32666	1.7
417.31613	1.6
425.34338	1.4
435.32541	12.4
436.33386	0.8
441.34207	0.5
453.33560	32.5
454.34082	1.2
471.34625	21.9
472.34772	0.5
489.35638	3.3
615.38971	0.6
633.39874	5.3
647.83105	0.5
651.41083	5.8
733.86615	0.4
761.44775	2.8
779.45618	19.8
780.45917	1.5
797.46716	19.1
798.47546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4664
Annotation	Jujubasaponin VI
Peak:m/z	Relative Intensity
57.03424	11.1
57.07064	1.9
59.04990	2.1
60.73529	0.3
61.02601	0.3
61.02913	4.4
65.03913	0.7
65.70065	0.2
67.05492	6.7
69.03411	4.3
69.06718	0.4
69.07055	4.0
70.06561	0.5
71.01350	1.3
71.04977	64.4
71.08595	0.3
72.05309	0.5
73.02896	3.6
75.04466	6.3
79.05474	4.0
81.03395	1.9
81.07039	10.5
83.04962	36.1
83.08600	2.1
85.02886	100.0
85.06522	1.0
86.03225	0.7
86.06056	0.5
87.04453	2.9
88.73534	0.2
91.03939	2.7
91.05458	5.5
93.06418	0.4
93.07022	10.5
95.04955	3.0
95.08588	21.6
96.08911	0.3
97.02875	7.0
97.06506	2.3
97.10122	1.5
99.04424	1.9
99.08078	0.9
101.05984	0.9
103.03928	0.6
103.05442	0.4
105.07005	8.6
107.04941	0.8
107.08569	13.6
109.02861	1.1
109.06503	2.9
109.10136	11.6
111.04420	5.7
111.08064	0.9
111.11692	0.6
113.05987	1.6
113.09630	2.6
115.05389	0.4
117.05479	0.5
117.06987	1.9
119.08557	11.4
121.06484	2.5
121.09234	0.5
121.10119	10.5
122.07282	1.5
123.04472	0.6
123.08044	13.9
123.11678	6.1
125.05983	0.4
125.09598	2.4
127.03893	2.8
127.11171	0.4
128.06155	0.4
129.05452	29.3
129.07021	1.3
130.05830	0.3
130.07800	0.3
131.08549	4.2
133.06476	0.4
133.10098	9.0
135.04413	0.3
135.08057	1.5
135.11665	11.6
136.11932	0.3
137.09586	72.8
137.13179	5.1
138.09898	1.2
139.03885	0.5
139.07642	0.2
139.11148	1.2
141.07011	0.4
141.09076	5.2
142.07774	0.9
143.08537	3.3
143.10666	0.7
145.04951	1.6
145.06419	0.6
145.10095	6.9
145.11189	0.4
147.04549	0.3
147.06500	9.1
147.07994	1.5
147.11658	6.5
149.05981	0.6
149.09604	1.6
149.13225	4.9
151.07523	0.5
151.11151	1.4
151.14806	0.6
153.09120	0.5
153.12704	0.5
155.08498	1.3
156.09311	0.6
157.10098	4.8
158.10910	0.4
159.08090	1.5
159.10173	1.5
159.11673	6.8
161.09579	2.1
161.13240	4.6
163.06071	0.5
163.07538	0.7
163.11151	1.7
163.14799	2.3
165.07693	0.5
165.09047	0.5
165.12671	0.5
167.07135	0.3
167.08514	0.4
167.10628	0.5
169.10080	1.9
170.10876	0.7
171.08002	0.4
171.11653	4.1
172.12328	0.3
173.09630	1.3
173.13219	3.9
175.11121	1.6
175.14787	2.4
177.09103	0.6
177.12746	1.5
177.16316	1.3
179.10658	2.5
179.14284	0.7
181.10144	0.5
182.10889	0.4
183.11630	2.3
185.09674	0.7
185.13202	3.7
187.11249	1.3
187.14799	4.3
189.09100	0.3
189.12750	1.3
189.16330	3.5
191.10748	0.8
191.14314	0.3
191.17912	3.6
193.12282	0.6
195.11652	0.9
196.12482	0.3
197.09578	0.4
197.13202	1.9
199.11147	0.9
199.14766	2.7
201.12758	1.1
201.16335	3.4
203.10620	0.4
203.14331	1.4
203.17941	2.6
205.12183	0.8
205.15952	0.5
205.19632	0.3
207.11734	0.4
207.13635	0.3
209.13211	1.5
211.11270	0.4
211.14854	1.7
213.07571	0.3
213.12697	0.9
213.16289	1.7
215.14252	1.2
215.17894	1.6
217.10666	0.8
217.15839	0.6
217.19505	1.0
219.13782	1.0
219.17252	0.3
223.14799	0.8
225.12798	0.4
225.16321	1.3
227.14348	0.9
227.17955	1.0
229.12286	0.4
229.15878	1.2
229.19481	0.9
231.13863	1.3
231.17477	0.5
233.15399	0.5
235.14886	0.3
237.16446	0.9
238.13303	0.3
239.14099	0.3
239.17899	0.8
241.15982	0.7
241.19521	0.9
243.13803	0.7
243.17413	0.7
243.21027	4.5
245.15410	1.1
245.18900	0.4
247.13194	0.5
249.14799	0.7
251.17946	1.2
253.15880	0.4
253.19518	1.3
255.08655	0.8
255.17340	0.6
255.21033	1.6
257.15497	0.3
257.19003	0.6
259.16925	0.8
267.21121	0.7
269.18924	0.5
269.22601	0.8
271.16904	0.6
271.20596	0.4
271.23792	0.3
273.09659	0.5
279.21048	0.8
281.19513	0.4
281.22623	1.8
283.17007	0.3
283.20853	0.3
283.24115	1.8
285.18527	0.5
291.20877	0.3
292.22205	0.3
293.22565	4.6
294.23044	0.3
295.20749	0.6
295.23953	0.5
297.18582	0.3
297.21945	0.6
299.20044	1.0
299.23495	0.4
301.21579	0.3
309.11795	0.5
309.22141	0.8
311.20151	0.3
311.23596	3.9
311.27072	0.3
313.21613	0.9
313.25256	1.4
315.23145	0.9
317.21133	0.7
321.25763	1.2
323.27286	0.7
325.21796	0.4
327.23022	0.5
329.24713	0.8
331.26694	0.4
339.23135	0.9
339.26929	0.8
347.27261	0.4
349.25055	2.4
351.26886	0.6
357.24161	6.0
363.26837	0.6
365.28351	2.2
367.25961	1.2
375.25290	1.1
375.29974	0.4
381.23428	0.3
381.27954	1.0
383.29382	4.3
385.27179	0.4
389.51303	0.3
393.31689	1.4
395.29691	0.3
399.29071	0.5
401.30496	1.3
405.31387	0.4
407.33038	1.2
411.32639	1.4
417.31482	1.8
423.32587	0.9
425.33975	1.3
435.32520	13.6
436.32956	0.5
437.34030	0.4
441.33438	1.4
453.33554	36.4
454.34113	1.2
455.35159	0.6
471.34625	27.3
472.35120	1.2
473.36111	0.3
489.35696	8.1
490.35953	0.4
615.38910	0.7
633.39783	7.0
651.40918	19.6
652.41364	0.8
662.26160	0.3
709.41669	0.5
761.44385	1.8
779.45593	17.0
780.45868	0.8
797.46692	14.5
798.46759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.4
57.07064	2.2
57.15174	0.5
58.77674	0.4
59.04991	2.1
59.57577	0.4
61.02915	5.1
65.01113	0.4
65.03936	0.6
65.60736	0.4
67.05494	7.2
69.03415	4.9
69.07055	6.5
71.01342	1.2
71.04982	64.5
72.05286	0.8
73.02905	3.9
75.04473	4.9
79.05473	5.1
81.03410	2.5
81.07043	13.1
82.82705	0.4
83.04966	34.3
83.08598	2.9
85.02892	100.0
85.06525	1.2
86.03218	0.6
87.04456	2.5
89.83420	0.5
90.04777	0.5
91.03952	4.4
91.05467	5.5
93.07030	11.6
95.04953	3.9
95.08592	22.6
97.02881	8.0
97.06528	3.1
97.10152	1.5
97.98792	0.4
99.04431	2.3
99.08096	0.9
101.02417	0.6
101.06004	0.7
103.03927	0.7
103.05413	0.5
105.07018	10.1
107.04958	1.7
107.08575	17.3
109.02865	0.8
109.06495	3.1
109.10140	12.7
111.04428	5.2
111.08051	1.4
113.06003	1.8
113.09636	2.3
117.06979	2.5
119.04981	0.6
119.08563	13.0
121.06490	3.1
121.10124	15.0
122.07281	1.0
122.96590	0.5
123.04447	0.7
123.08057	13.4
123.08963	0.7
123.11687	7.2
125.09612	3.4
127.03922	3.9
129.05460	26.4
129.06998	1.6
131.08556	5.5
133.06444	0.7
133.10106	11.9
135.08022	2.0
135.11668	11.7
136.06157	0.7
137.09595	68.9
137.13211	5.5
138.09975	0.8
139.03923	0.5
139.11186	1.2
141.07054	0.6
141.09081	5.2
142.07744	0.7
143.08507	3.5
143.10617	0.6
144.09332	0.6
145.02753	0.7
145.04921	1.5
145.06406	0.7
145.10097	7.9
147.04445	1.0
147.06512	10.2
147.07832	1.0
147.11656	7.9
149.09572	1.5
149.13240	5.6
151.07507	0.8
151.11073	1.2
151.14804	0.9
153.09180	0.6
155.08540	1.7
156.09303	0.6
157.10103	6.1
159.07997	2.1
159.10150	2.2
159.11676	8.5
161.09604	2.5
161.13237	5.5
163.03868	2.1
163.06009	0.8
163.07475	0.8
163.11127	1.9
163.14819	3.6
165.09003	0.6
165.12877	0.6
167.08521	0.6
167.10677	0.6
169.10092	2.2
171.11673	5.5
173.09593	2.2
173.13222	4.8
175.07729	0.6
175.11156	2.3
175.14783	3.9
177.09055	1.1
177.12724	1.6
177.16367	2.1
179.10718	2.5
181.10069	0.6
182.10844	0.5
183.11662	2.3
185.09482	0.5
185.13243	4.1
187.11040	1.3
187.14806	5.1
189.12698	1.9
189.16364	4.1
191.10634	1.2
191.14281	0.8
191.17882	4.1
193.12100	1.2
195.11638	1.4
197.13303	2.3
199.11096	0.8
199.14813	2.9
201.12743	0.8
201.16310	3.5
203.14279	1.5
203.17908	3.5
205.12265	0.7
205.19456	0.6
207.13776	0.7
209.13235	1.5
211.11147	0.6
211.14769	1.8
213.12820	1.0
213.16403	2.4
215.14331	1.1
215.17903	1.7
217.12184	0.8
217.15808	0.5
217.19429	0.6
219.13756	1.1
221.13129	0.6
223.14842	1.7
225.16342	1.1
227.14246	1.1
227.17877	0.8
229.12152	0.6
229.15831	1.7
231.13744	1.4
233.15324	0.6
237.16417	1.0
239.14354	0.5
239.17833	1.3
241.15845	0.7
241.19344	0.9
243.21072	6.0
245.15273	1.4
249.14522	0.7
251.17972	1.0
253.15868	0.7
253.19319	1.2
255.17252	0.6
255.20972	1.5
259.16827	0.7
261.22134	0.6
265.19400	0.9
267.21042	1.1
269.22635	0.5
279.20932	0.7
281.19232	0.5
281.22589	1.7
283.16803	0.7
283.21191	0.5
283.24146	3.1
293.22620	6.1
295.24078	1.6
299.19983	1.1
309.11743	1.1
311.23648	4.4
313.21414	1.3
313.24911	1.0
315.22964	1.2
317.20944	0.8
321.25647	2.2
323.27124	0.7
329.24677	1.1
339.23071	1.1
339.26773	1.8
349.24988	2.3
351.26736	1.5
357.24139	6.3
363.26645	1.1
365.28375	2.7
367.26257	1.7
375.25403	1.1
381.27692	1.1
383.29456	4.8
393.31503	0.9
401.30258	1.0
407.32849	2.0
411.32236	1.4
413.29904	0.6
417.31378	2.6
423.31955	0.9
425.33926	2.1
435.32526	12.6
437.34027	1.1
441.33551	1.4
453.33591	40.2
454.33698	1.9
455.34903	2.2
471.34674	28.5
472.35077	0.9
473.35916	1.7
489.28568	0.8
489.35681	15.2
490.35703	0.7
604.40308	0.5
615.38940	1.2
617.40063	0.6
633.39862	12.2
634.39648	0.9
651.40961	30.5
652.40979	1.6
761.44037	1.5
779.45630	19.5
780.45721	1.2
797.46735	11.5
798.45978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
59.04985	0.7
61.02917	5.7
66.34361	0.3
67.05492	4.9
67.15434	0.3
69.03424	3.1
69.07067	2.0
70.06589	0.7
71.01347	0.5
71.04966	1.7
73.02905	3.2
75.26031	0.3
79.05477	4.7
79.05836	0.4
81.03413	3.4
81.07047	5.0
83.04980	0.8
83.08623	1.1
85.02895	5.8
85.06546	0.7
86.09728	0.6
87.04475	0.9
91.03944	3.9
91.05468	5.1
93.07035	6.3
95.04974	1.6
95.08599	4.0
97.02881	4.9
97.06561	0.6
97.10184	0.4
98.21442	0.9
99.04472	1.3
101.02385	1.8
105.07037	3.8
105.73186	0.4
107.04931	0.5
107.08582	3.1
109.02855	0.9
109.10154	1.0
111.08104	0.7
117.07021	1.1
119.08538	2.4
121.10140	2.0
125.09620	0.6
127.03953	1.6
129.06998	1.1
131.08537	1.7
131.55540	0.4
133.10121	2.7
135.11707	0.9
145.04980	0.5
145.10139	1.3
147.11725	1.6
149.09653	1.2
149.13257	0.9
151.11234	0.4
156.94449	0.4
157.10210	1.1
159.11679	0.7
161.13364	0.6
175.11203	0.8
175.14850	0.5
184.07381	1.3
185.04282	0.8
185.13203	0.4
193.12318	1.3
201.03693	0.4
201.16606	0.4
203.05344	0.5
225.14859	0.4
239.96913	0.4
243.08362	4.1
257.74664	0.4
259.20609	0.6
265.14105	0.5
267.15933	0.6
270.50870	0.4
283.15100	4.3
301.09061	1.3
315.10593	0.6
317.20859	0.6
323.18240	0.5
339.17996	1.2
373.23785	0.4
375.05487	0.4
397.18390	0.5
427.19489	0.6
441.21375	0.5
465.21146	1.3
469.20383	1.1
485.23706	1.5
501.23026	13.3
502.23669	0.4
529.22992	0.4
535.28735	7.8
551.28235	1.0
573.24774	1.8
657.34558	0.5
696.98474	0.5
721.38239	0.4
725.38336	0.4
795.44977	100.0
796.45416	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	797.4683
Annotation	Jujubasaponin VI
Peak:m/z	Relative Intensity
57.03432	10.9
57.07073	1.8
59.04990	2.3
61.02917	4.5
65.03923	0.6
67.05495	7.5
69.03416	4.8
69.07056	5.2
69.72339	2.1
69.72762	1.0
70.06588	0.6
70.07402	0.4
71.01338	1.5
71.04983	62.6
72.05316	0.9
73.02907	3.7
75.04469	5.7
79.05483	4.0
81.03422	2.3
81.06680	0.2
81.07047	10.9
83.04971	33.9
83.08612	1.8
84.05305	0.6
85.02894	100.0
85.06516	0.7
86.03236	0.9
86.06059	0.5
87.04454	2.4
91.03949	2.9
91.05463	5.3
93.07034	10.1
94.18559	0.4
95.04958	3.4
95.08598	19.5
97.02879	7.4
97.06527	2.4
97.10164	1.5
99.04450	2.4
99.08079	0.9
101.02337	0.5
101.06029	1.0
103.03945	0.7
103.05471	0.4
105.07015	8.7
107.04959	0.8
107.08580	14.9
108.08084	0.3
109.02872	1.5
109.06514	1.8
109.10143	10.5
111.04433	5.2
111.08077	1.1
111.11700	0.4
113.06002	1.2
113.09631	2.2
114.10354	0.4
115.05492	0.4
117.03352	0.4
117.05458	0.9
117.07009	2.2
119.04921	0.7
119.08567	10.6
121.06485	2.1
121.10130	13.0
122.06033	0.6
122.07287	1.4
123.04448	1.0
123.08055	13.7
123.11697	6.3
125.06047	0.4
125.09625	2.7
127.03893	3.5
127.11146	0.5
129.05464	26.7
129.07007	1.2
130.08620	0.8
131.08553	4.6
133.06474	0.7
133.10110	11.3
133.11133	0.6
135.08022	1.2
135.11674	11.1
137.06018	1.0
137.09596	65.8
137.13206	4.8
138.09926	1.0
139.03918	0.6
139.07532	0.7
139.11136	0.9
141.07039	0.5
141.09085	5.1
143.08546	2.8
143.10678	1.0
145.02814	0.4
145.04950	1.6
145.06439	0.9
145.10106	7.1
147.04396	1.1
147.06506	8.5
147.08017	1.0
147.11664	6.8
149.05997	0.7
149.09622	1.1
149.13232	5.1
151.07480	0.5
151.11171	0.9
151.14813	0.5
155.08528	1.2
156.09300	0.5
157.10130	4.2
159.08046	1.7
159.10172	1.3
159.11671	5.5
161.08354	0.4
161.09564	2.1
161.13248	4.5
163.03896	0.9
163.06107	0.8
163.07501	1.1
163.11176	1.3
163.14796	2.9
165.05534	0.7
165.09102	0.8
165.12695	0.6
167.10580	0.4
168.09326	0.4
169.10091	2.1
171.06480	0.7
171.11633	4.3
171.81680	0.3
173.09581	1.3
173.13275	3.6
174.71222	0.3
175.07416	0.3
175.11142	1.2
175.14792	3.3
177.05458	0.7
177.09064	1.1
177.12717	1.3
177.16357	1.6
179.08482	0.3
179.10661	2.9
179.14236	0.6
181.10144	1.2
182.10811	0.6
183.11641	2.0
185.09595	0.4
185.13240	3.5
187.11145	1.3
187.14806	3.7
189.09048	0.5
189.12674	1.0
189.16388	3.2
191.10695	0.8
191.14363	0.7
191.17897	3.3
193.12169	0.8
195.11647	1.2
197.13216	2.1
199.11226	0.7
199.14810	2.3
201.12689	1.5
201.16399	2.7
203.10516	0.4
203.14296	1.5
203.17935	2.6
205.12195	0.7
207.06473	0.5
209.13245	1.3
211.11116	0.6
211.14781	1.2
213.12772	0.7
213.16360	2.4
215.14258	1.1
215.18016	0.7
217.10567	0.7
217.15863	1.2
217.19394	0.8
219.13747	1.2
219.17311	0.6
223.14807	1.0
225.10236	0.5
225.16408	0.6
227.14244	0.8
227.17899	0.9
229.15906	0.8
229.19446	0.8
231.13730	0.8
233.15221	0.6
235.14803	0.5
237.09903	0.5
237.16296	1.1
239.17825	0.9
240.12224	0.4
241.15848	0.7
241.19415	0.9
243.13756	0.6
243.17410	0.5
243.21042	3.4
245.15341	1.4
247.13268	0.6
247.16943	0.6
249.10228	0.5
250.10657	0.5
251.11630	1.2
251.17897	0.6
252.12158	1.2
253.13135	0.6
253.19350	0.7
255.08586	0.8
255.17319	0.4
255.21034	1.6
263.11853	0.5
263.16235	0.5
264.12207	0.8
265.13272	1.5
266.13608	1.0
267.21075	0.6
269.18948	0.6
269.22568	0.7
271.20419	0.5
273.18427	0.6
278.10132	0.5
279.11176	1.1
279.21075	1.0
280.11673	0.8
281.22598	1.2
283.17014	0.4
283.20972	0.5
283.23990	2.0
293.12778	0.9
293.22556	4.4
294.13046	0.7
295.24045	0.8
299.20007	0.7
309.11795	1.1
310.12460	0.8
311.13718	0.6
311.23660	3.5
312.14285	0.6
313.14484	0.5
313.21515	1.2
313.24942	0.7
315.23141	0.8
316.88528	0.5
321.25623	1.2
323.27298	0.7
327.23151	0.5
329.24597	0.6
339.12753	0.5
339.23050	1.2
339.26831	0.8
340.13745	0.5
349.25116	2.2
351.26779	0.8
353.14798	0.8
357.24213	5.6
363.26877	0.7
365.28339	1.6
367.26083	1.1
370.14499	0.5
371.15726	0.6
372.16290	0.6
373.16855	0.4
375.25436	0.9
381.27963	0.7
383.29407	4.4
393.31577	0.9
399.28735	0.4
401.30402	1.1
407.32947	1.5
411.32489	1.1
413.16583	0.4
417.31235	1.2
423.32394	0.5
425.33878	1.0
435.32547	11.6
437.34073	1.0
441.20999	0.4
441.33731	0.5
453.33600	32.3
454.33969	1.8
455.35080	1.2
471.34662	26.0
472.34711	1.1
473.35886	1.2
475.19351	0.7
489.35690	7.7
490.35919	0.6
494.21933	0.8
515.19073	0.6
516.19714	0.4
517.20435	0.7
534.21503	0.8
535.21790	0.9
602.24036	1.2
603.26965	0.5
615.38867	0.7
619.24634	0.5
620.24890	1.1
633.39752	6.0
637.25122	1.2
638.26007	3.2
651.40936	16.3
652.40637	1.2
656.26447	1.6
689.38007	0.4
725.30988	0.7
761.43878	1.8
779.45782	14.6
780.45557	1.2
797.46747	12.1
798.45819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.5
67.05490	1.1
69.07065	0.5
71.08611	0.4
71.79522	0.4
74.61444	0.3
78.69686	0.4
78.72357	0.3
79.05478	0.4
81.07050	1.1
85.02892	0.4
86.09702	1.2
87.04451	0.9
91.05478	0.4
93.07062	0.5
95.08604	0.4
109.10210	0.6
121.10106	0.4
125.00021	0.8
131.08589	0.6
151.29739	0.4
152.73865	0.3
161.13231	0.4
184.07338	3.4
239.33949	0.4
242.11839	0.4
278.10587	0.4
428.45102	0.4
535.26672	0.6
691.40198	4.9
795.42792	100.0
796.43115	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	795.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.3
61.02916	6.1
65.03944	0.4
67.05491	6.9
69.03413	3.5
69.07056	3.8
70.06824	0.8
71.01359	0.3
71.04977	4.8
73.02904	3.8
79.05477	4.3
81.03403	2.7
81.07039	8.6
83.04979	1.0
83.08614	1.3
85.02889	6.5
85.06541	0.7
87.04455	0.4
91.03938	4.0
91.05463	4.9
92.05821	0.4
93.07030	4.6
94.07398	0.3
95.04960	1.6
95.08581	2.7
97.02873	5.4
97.06532	1.1
97.10180	0.8
97.10810	0.2
98.20753	0.3
99.04456	0.9
99.08105	0.5
101.02352	2.0
103.03924	0.6
105.07007	3.0
107.04973	0.6
107.08584	2.8
109.02892	0.8
109.06516	0.7
109.10153	1.4
111.08067	0.9
113.05968	0.3
117.06997	1.3
119.08563	1.7
121.06500	0.4
121.10113	1.4
123.11684	1.7
125.09663	0.4
127.03891	1.9
129.06943	0.3
131.08534	1.3
133.10100	3.2
135.08054	0.4
135.11664	1.2
145.10150	0.5
147.11674	0.8
149.09631	0.4
149.13274	1.0
151.11165	1.5
157.10196	0.4
159.11711	1.3
171.11705	0.4
173.13220	0.3
177.12679	0.3
183.13792	0.6
184.07343	0.3
185.04178	0.6
187.13287	0.7
195.13823	0.5
203.05174	0.5
207.02403	0.2
243.08418	3.5
243.15948	0.3
250.91750	0.3
257.17499	0.8
267.15659	1.8
269.17377	0.5
275.19998	0.3
291.15814	0.3
301.09262	0.4
311.99655	0.3
323.18408	0.4
333.20276	2.5
373.10992	0.3
389.23105	0.5
439.19406	0.8
441.21106	0.5
453.20944	2.1
469.20422	0.4
485.23499	11.0
486.24011	0.8
501.23660	0.3
502.23709	0.3
551.28253	6.2
552.29022	0.4
557.25806	0.4
633.39545	0.4
687.46088	0.3
697.37042	0.4
795.44855	100.0
796.45386	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	795.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	4.5
57.07084	1.1
61.02894	3.6
65.03926	1.0
67.05491	6.4
69.03416	7.2
69.07054	6.2
70.06572	2.5
71.04980	19.1
71.79987	1.0
72.08131	0.9
73.02885	2.0
75.04443	2.1
79.05467	4.1
81.03418	6.1
81.07053	7.2
82.25443	0.9
83.04970	4.9
83.08562	1.4
85.02888	37.7
87.04424	1.0
91.03930	1.4
91.05444	4.2
93.07032	5.0
94.06539	3.9
95.04955	3.8
95.08585	12.5
97.02874	6.7
97.06502	1.2
99.04430	1.5
105.07013	7.7
106.06538	4.0
107.04929	1.1
107.08580	5.4
108.08107	8.7
109.02843	2.9
109.06470	1.2
109.10142	6.0
111.04427	2.2
111.08024	1.7
111.11716	0.9
114.09145	2.9
118.06528	1.3
119.04892	1.5
119.08535	5.7
120.08086	2.2
121.06477	1.9
121.10123	6.1
122.05990	15.4
122.09607	1.8
123.08053	5.6
123.11665	2.1
124.07589	1.4
127.03892	5.4
129.05460	6.7
129.07027	1.1
131.08517	3.0
132.04347	1.0
132.08066	1.2
133.10100	3.9
134.05952	3.2
135.11647	1.7
136.06181	3.2
136.07567	8.3
137.05940	2.6
137.09558	2.8
140.07030	13.5
141.09044	3.2
143.08487	2.1
145.02824	1.3
145.04915	3.0
145.06328	1.0
145.10097	3.8
146.06065	5.3
146.09549	1.1
147.04361	3.9
147.06506	1.6
147.11647	3.3
148.07542	8.6
149.13188	2.2
150.09088	1.8
152.07028	2.9
157.10085	2.4
158.05956	1.0
159.08058	1.6
159.11659	2.3
160.09666	2.8
161.13278	2.5
162.09108	3.0
163.03908	2.4
163.05980	1.6
164.07050	2.9
165.12791	1.0
166.08582	4.1
171.07907	0.9
171.11621	1.8
172.03928	7.2
173.13182	1.3
174.05490	6.6
174.09077	2.0
176.06995	5.6
177.05400	2.0
177.12697	1.4
185.13206	1.6
187.14780	1.4
188.06921	1.4
190.04930	2.7
190.08629	1.1
191.05695	1.1
192.06465	1.2
199.14810	1.6
200.07034	1.4
201.16389	5.4
202.05005	0.9
204.06485	9.0
206.08057	3.2
208.09641	6.2
209.10677	0.9
210.09114	1.0
210.11282	1.4
211.08670	1.2
211.12193	2.5
213.10136	1.7
213.16399	1.0
223.08537	1.4
223.12251	3.7
224.09378	1.7
225.10220	5.6
225.13829	2.6
227.08206	1.4
227.11737	5.5
230.08159	1.3
234.11420	1.4
235.08714	2.1
235.12360	2.2
236.09230	1.8
236.12982	1.2
237.10100	8.6
237.13760	2.7
238.08719	1.0
238.10992	3.8
239.11763	17.5
240.12381	2.9
241.09634	1.1
241.13301	2.4
241.19405	2.6
243.21080	1.8
248.09355	3.3
248.13150	1.0
249.10155	6.8
250.10881	6.5
251.11743	26.3
252.09369	1.1
252.09909	1.2
252.12508	5.9
253.10489	1.6
253.13274	17.5
254.14117	1.4
259.20560	3.4
262.10895	1.6
263.11734	17.6
264.09070	1.8
264.12421	4.6
265.09714	8.1
265.13309	29.4
266.10434	4.0
266.14001	6.7
267.11179	7.5
267.14905	2.6
268.11835	1.9
269.12750	2.7
271.14346	3.0
274.10724	2.8
275.11694	2.3
276.12601	1.1
277.10123	5.7
277.13058	6.0
278.10461	6.5
278.13492	1.2
279.11230	100.0
280.11856	9.3
281.12741	13.2
282.13516	2.1
283.10712	2.2
283.14111	1.2
285.12283	4.7
287.13898	4.5
291.11209	9.0
292.11896	5.9
293.12790	13.3
294.13321	3.2
295.10782	4.6
295.14420	2.5
296.11432	2.9
297.12305	15.0
298.13068	1.7
299.13791	3.2
307.10626	2.3
309.12225	10.1
310.12839	19.3
311.10489	1.0
311.13800	22.3
311.29333	2.1
312.14392	4.0
312.29587	1.3
313.11758	2.6
313.15314	5.8
319.10709	7.0
320.11240	1.5
321.12259	18.3
322.12805	1.1
323.13846	2.7
325.11676	1.2
328.13910	3.1
330.16055	1.1
331.16324	1.8
337.11789	5.3
338.12488	1.8
339.13300	15.8
340.13843	1.6
341.15271	1.6
342.15903	2.0
344.13876	3.9
344.17477	1.3
345.14517	4.3
351.13318	7.1
352.13974	1.7
353.14871	5.6
357.14658	2.6
358.15424	2.6
359.16541	1.5
360.16986	1.4
367.12567	1.2
368.13544	1.0
369.14429	4.5
370.15118	1.6
371.16031	3.4
372.16895	3.2
379.12524	2.2
379.26254	1.9
381.14377	6.3
382.15292	1.1
383.15771	3.0
384.16626	1.3
386.18536	3.1
395.15814	4.3
396.16934	1.7
397.17581	1.8
397.27383	1.0
398.14578	1.1
399.15527	3.9
400.16425	5.5
402.17770	1.1
402.75732	1.0
406.17368	1.4
407.15750	1.7
411.15271	5.4
412.16083	2.0
413.16782	4.4
414.17978	5.7
415.18472	1.8
420.18713	1.1
423.15479	2.2
424.16077	1.4
425.16644	1.6
431.18137	1.5
432.19208	4.7
433.14291	1.1
433.19568	5.0
433.31006	1.5
434.20303	2.9
435.15640	1.9
436.16299	1.2
437.16858	4.1
439.14310	5.0
440.15683	2.5
441.16547	10.1
442.17416	3.7
451.31888	2.4
453.16788	4.3
453.33612	1.7
454.17105	3.4
455.18115	8.7
456.18686	1.9
457.19513	1.3
459.17535	6.6
460.18390	5.8
461.19202	1.0
463.14841	1.8
464.16431	0.9
465.16293	1.6
469.32922	3.5
470.37952	2.1
471.17673	7.9
471.38980	1.3
472.18515	4.6
473.19077	3.5
474.20123	2.3
481.09723	1.2
481.16040	17.0
482.16565	8.4
483.17529	17.9
484.17978	2.0
487.34119	1.6
490.20023	1.2
492.21286	12.6
493.21353	1.4
497.19012	1.3
499.16959	26.7
500.17514	7.0
501.18646	21.5
502.19058	3.7
513.18610	5.1
515.20038	6.8
531.19537	7.2
532.20361	1.6
533.21301	12.4
534.21875	4.0
552.22791	1.4
558.21704	1.5
560.23291	3.1
562.22021	1.7
568.21100	2.0
576.23376	1.5
578.24597	4.0
580.22803	1.0
583.24774	2.5
586.21979	6.7
588.23389	1.2
594.24554	1.2
596.25635	8.9
597.38281	1.0
600.23456	1.8
601.25665	4.1
604.22797	12.8
605.23138	1.6
606.24121	1.7
615.28491	1.4
615.38593	1.3
618.24438	6.3
619.24622	1.2
622.23840	47.3
623.23969	3.5
624.25043	2.0
633.27985	1.4
636.25439	17.6
637.25153	1.7
640.24896	65.3
641.25470	5.2
643.27319	2.4
654.26428	30.2
655.26270	3.2
672.27612	12.4
673.27417	2.8
675.29681	1.2
691.27002	1.3
709.28601	9.0
723.29980	1.2
727.29309	5.6
741.30908	3.5
745.30676	21.3
746.30347	1.6
759.31824	2.5
763.31732	10.7
777.32562	7.1
795.45496	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	795.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06416	0.7
66.29432	0.7
67.05484	1.2
69.03393	0.8
69.07035	3.2
70.48740	0.8
71.08337	2.2
72.16328	0.7
81.03376	1.5
83.28647	0.8
85.02884	1.4
94.06541	3.2
97.02854	0.9
106.06527	3.0
108.08088	9.1
109.85081	0.7
116.03509	0.6
120.08086	1.1
122.05996	10.3
123.56428	0.6
124.07572	1.1
124.71223	0.8
134.05986	2.5
136.07562	6.1
140.07040	14.1
146.05984	5.4
147.73415	0.8
148.07541	8.6
150.09126	1.8
152.07036	3.5
157.45079	0.8
162.05449	0.9
162.09119	2.7
164.07050	3.5
166.08653	4.6
172.03915	6.6
174.05505	6.8
174.09122	0.9
176.07047	6.8
178.08600	1.1
190.05025	2.1
194.08121	0.9
195.28467	0.8
202.08664	0.9
204.06517	8.7
206.08133	3.2
208.09619	4.7
209.10664	1.2
210.11452	1.0
211.12202	2.2
212.13025	0.9
214.96695	0.8
221.10826	1.3
222.11369	1.2
223.12242	3.0
224.09311	0.9
224.13065	1.3
225.10231	2.2
225.13872	1.6
226.11026	1.2
227.11787	3.0
234.11362	0.9
235.08620	1.6
235.12175	3.4
236.09125	0.9
236.13034	1.0
237.10197	6.9
237.13828	1.4
238.10899	4.9
239.11740	11.6
240.12558	2.7
241.13335	2.3
247.12088	1.0
248.09413	2.4
249.10136	5.2
250.10909	6.1
251.11754	22.0
252.12448	5.6
253.13329	14.5
254.13815	1.2
261.10016	1.0
262.10904	1.9
263.11752	19.5
264.09048	1.7
264.12479	5.0
265.09708	7.8
265.13315	25.1
266.10437	3.7
266.14041	5.1
267.11261	6.4
267.14841	2.1
268.11877	1.9
268.15485	0.7
269.12759	2.3
271.14334	2.2
274.10632	1.6
275.11740	2.4
277.09882	5.6
277.13177	5.8
278.10501	5.4
279.11237	100.0
280.11893	10.0
281.12827	12.7
282.13354	2.0
285.12338	2.7
287.13947	3.9
291.11169	8.3
292.11835	5.0
293.12796	13.6
294.13513	2.3
295.10736	4.3
295.14301	2.1
296.11618	1.6
297.12311	15.0
298.12943	1.0
299.13770	2.5
305.12805	1.0
307.10767	1.9
309.12259	10.9
310.12842	19.9
311.13815	18.6
312.14612	2.8
313.11731	3.0
313.15408	3.6
319.10684	6.8
320.11505	1.4
321.12271	13.9
323.13724	2.4
325.11823	1.1
325.15540	1.4
328.13837	3.0
331.12973	1.0
331.16684	1.2
337.11768	7.0
338.12561	2.2
339.13348	15.3
340.13849	1.1
341.14774	1.6
345.14557	3.8
351.13419	4.2
352.13910	0.9
353.14841	1.8
365.15005	1.3
367.12759	0.8
369.14368	5.5
371.15900	3.2
379.12787	2.5
380.13577	0.8
381.14386	6.1
383.15900	1.5
395.15979	3.9
397.17535	1.9
399.15344	2.5
400.16351	3.4
405.14523	0.9
411.15424	4.3
412.16211	1.0
413.16931	2.6
414.17825	1.2
415.18518	2.2
419.16168	1.1
423.15421	2.6
433.19623	3.9
435.15442	1.9
437.16937	3.3
439.14566	5.3
440.15588	1.6
441.16501	9.4
442.17075	2.3
451.20517	1.0
453.16711	4.6
454.17191	3.3
455.18060	6.9
456.18604	1.4
457.20135	1.2
459.17432	4.6
460.18494	3.7
463.14725	2.6
464.15909	1.4
465.16370	2.6
469.15369	0.8
471.17484	7.8
472.18188	2.5
473.18976	3.2
478.19559	1.7
481.15982	14.8
482.16660	6.4
483.17538	14.8
484.18222	1.4
499.17053	25.6
500.17535	6.8
501.18616	18.3
502.19049	2.6
510.22400	4.7
513.18365	3.7
515.20020	3.4
531.19769	7.0
532.20300	1.1
533.21313	10.9
560.23456	3.0
568.20020	1.5
578.24969	2.8
583.25439	0.9
586.21637	5.1
596.26050	7.4
601.26764	5.0
604.22974	10.0
610.24225	0.8
622.23871	48.1
623.24188	3.2
624.25470	1.7
633.28381	1.9
636.25159	2.6
640.24908	60.1
641.24878	3.1
643.26978	2.9
654.26355	14.4
655.26563	1.0
672.27454	16.3
673.27881	1.8
683.30334	0.9
709.28778	7.2
719.32983	0.8
727.29761	4.1
745.18011	1.3
745.30524	19.4
763.31873	10.5
777.33606	4.9
795.34106	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	795.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
61.01516	0.6
61.02912	1.5
65.03934	0.8
67.05498	4.5
69.03423	3.5
69.07054	2.1
70.06571	2.1
70.41351	2.8
71.04986	4.6
72.08158	0.6
73.02896	0.9
79.05488	2.3
80.22601	0.7
80.32809	0.6
81.03408	4.7
81.07049	2.7
83.04978	2.3
83.08596	0.7
85.02892	11.2
87.04434	0.9
91.05471	5.0
93.05756	0.7
93.07005	3.4
94.06557	2.6
95.04967	0.8
95.08591	6.4
97.02878	3.6
97.06532	1.1
98.06003	0.6
99.04441	1.1
99.54802	0.7
105.07023	2.6
106.06516	0.8
107.04946	0.8
107.08601	1.8
108.08112	2.8
109.02873	2.5
109.06551	0.7
109.10139	2.1
111.04430	1.2
114.09170	2.0
117.07005	0.7
118.06561	0.6
119.04941	2.1
119.08540	2.2
120.08075	3.4
121.06502	1.2
121.10100	1.4
122.06017	14.2
122.96867	0.6
123.08064	1.3
123.11710	0.9
127.03854	3.2
129.05469	2.0
129.06967	0.8
131.04915	1.1
131.08568	0.9
133.02882	0.7
133.10152	2.5
134.05984	1.4
135.08107	1.3
135.11707	1.2
136.06183	5.9
136.07559	8.2
137.05981	1.7
137.09634	0.6
138.09154	0.8
140.07083	2.7
143.08572	1.2
145.02841	0.9
145.04910	0.8
145.10133	1.8
146.05998	3.9
147.04393	3.0
147.06451	0.6
147.11659	0.7
148.07559	4.5
149.13274	0.8
150.09151	0.9
151.07581	0.7
157.10106	0.9
159.11662	0.9
160.07596	1.1
160.09689	1.5
162.09148	0.9
163.03915	1.4
163.06087	0.7
164.07043	0.8
164.10666	5.2
165.05632	0.6
167.07124	1.2
172.03957	1.0
172.07584	0.7
173.13293	1.1
174.05479	3.3
174.09161	2.9
176.07109	1.7
177.05515	2.3
184.07480	0.6
184.11310	1.1
186.09099	1.4
187.08690	1.8
188.07120	0.7
189.10257	1.4
190.05045	1.2
192.06480	0.7
192.10071	4.6
197.10916	0.8
199.08652	1.8
199.12318	1.8
201.10178	1.1
201.16417	0.8
204.06575	3.3
206.08167	1.7
208.09697	1.2
209.10703	0.8
210.09190	1.8
210.11494	0.6
211.08640	1.4
212.09288	0.9
213.10202	4.8
215.11847	0.8
223.08655	0.8
223.12375	1.6
224.09264	1.2
225.10239	6.8
225.13867	0.8
226.08864	1.1
226.10980	2.8
227.08313	3.8
227.11746	17.8
229.09767	1.8
229.13484	1.2
235.08714	1.8
235.12334	1.7
236.09497	2.7
237.10159	6.0
237.14011	0.7
238.11037	2.1
239.11761	9.4
239.14029	1.0
240.12326	1.3
241.09688	1.5
241.13341	1.6
243.11313	2.1
248.09480	1.0
249.10190	7.2
250.10977	4.1
251.08153	1.2
251.08884	1.1
251.11765	14.0
252.12503	3.7
253.09818	2.4
253.13341	4.7
255.11278	1.4
261.12576	0.8
263.08090	1.8
263.11823	8.7
264.12494	2.3
265.09772	6.9
265.13388	8.6
266.10519	2.1
266.14169	2.1
267.11334	4.6
267.14914	0.9
268.11786	1.0
269.09769	1.0
269.12885	4.4
271.10968	1.3
271.14438	0.9
275.11749	1.3
277.09644	3.4
277.12933	0.9
278.10434	2.8
279.11240	19.1
279.14233	1.3
280.12030	3.4
281.12888	5.9
283.10809	1.3
284.11700	0.7
285.12167	3.5
287.13922	3.0
289.12128	0.9
291.11234	4.2
292.12009	1.1
293.12787	6.5
294.13593	1.2
295.10767	2.0
295.14337	1.1
296.11636	2.3
297.12323	7.5
298.13287	0.8
299.14017	2.5
301.13214	1.2
307.10706	1.9
309.12299	2.7
310.12921	3.3
311.13895	7.4
312.14795	1.7
313.15479	2.5
315.14606	0.9
316.14532	2.6
319.10779	2.1
321.12354	3.9
322.13062	0.9
323.13770	1.0
324.11124	1.2
325.11887	1.5
326.16623	1.1
328.14676	1.9
329.11499	0.8
329.15256	2.8
330.12381	0.8
330.16052	2.2
331.13281	1.1
332.13916	1.3
337.11850	2.1
338.12427	1.4
339.13287	3.8
340.14514	1.4
340.18140	1.4
341.15359	1.2
341.18945	1.5
342.16141	2.5
343.13293	1.4
343.17224	1.4
344.13968	11.1
344.17618	2.1
345.14520	1.9
346.15515	1.9
351.13443	1.5
352.14310	1.5
353.15009	3.4
354.16135	0.8
355.13223	1.2
356.14044	2.5
356.17874	1.2
357.14639	5.6
358.15329	6.8
358.19141	1.2
359.16318	3.9
360.16992	3.3
361.17813	1.0
362.18674	0.9
367.12964	1.4
368.13489	1.1
368.17691	1.9
369.14761	2.2
370.15466	2.7
371.16205	4.9
372.17239	6.0
373.17899	2.1
374.18637	2.0
379.12924	0.9
380.13556	0.8
381.14767	1.8
382.15527	1.4
383.15991	1.2
384.17404	1.5
385.13858	0.8
385.18137	1.1
386.14572	0.9
386.18677	6.5
387.15399	3.4
388.16135	1.2
388.20560	1.0
389.17328	1.2
395.16080	0.8
396.17096	1.7
398.18927	0.9
399.15549	2.9
400.16425	4.8
401.17267	2.6
402.18158	1.5
411.15573	2.5
412.16669	1.2
413.17252	2.3
414.18130	7.8
415.18954	1.2
416.19730	1.6
419.18475	1.3
420.18994	1.0
424.16324	0.9
431.18506	1.0
432.19153	10.6
433.19766	2.3
434.20825	2.0
439.14682	1.2
440.16095	1.0
441.16714	2.7
442.17554	3.4
443.18021	1.1
446.20938	1.2
453.16467	1.8
455.18234	1.5
456.19290	1.9
459.17804	1.5
460.18494	7.4
465.17795	1.0
469.33075	1.2
471.17645	1.9
473.19370	1.4
474.20117	9.7
475.20383	0.7
481.16217	2.7
482.17310	0.9
483.17868	3.1
492.21207	15.8
493.21704	1.3
499.17172	3.9
500.17502	0.9
501.18582	3.1
502.19568	2.3
504.21176	1.8
513.18158	0.9
515.20508	1.4
516.21136	1.8
517.19989	0.8
531.20026	1.1
532.20911	0.8
533.21106	2.1
534.22504	8.1
540.21417	1.6
542.22766	1.4
558.22186	4.3
560.23914	2.2
562.22015	2.2
568.21759	1.5
576.23425	7.4
577.23480	0.7
578.24908	3.0
583.25287	2.5
586.22357	5.2
594.24158	7.1
595.24432	1.1
600.23438	3.1
601.26373	5.5
604.23199	10.1
615.27936	1.3
618.24274	12.2
619.24530	1.4
622.23834	14.5
623.24390	1.5
633.28925	2.8
633.37408	1.8
636.25458	43.2
637.25739	2.4
640.24786	6.9
654.26477	100.0
655.26807	11.7
672.27722	1.9
675.30023	1.6
683.31177	0.8
709.28436	2.1
719.32532	1.0
723.30139	1.4
727.29034	2.9
741.31439	3.2
745.30688	9.9
746.30957	0.8
759.32367	3.6
763.31909	3.5
777.33136	9.3
777.45538	1.3
778.33435	1.1
795.32574	6.3
795.45709	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	795.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98672	0.8
67.05496	1.0
69.03386	1.4
69.07037	2.7
70.84209	2.7
73.02878	1.0
79.05466	0.7
81.03391	2.2
85.02885	1.6
94.06554	2.2
95.04936	0.9
97.02858	1.0
106.06522	3.0
108.08107	7.5
109.02862	1.0
118.06513	0.9
120.08096	1.6
121.93814	1.0
122.06016	8.5
134.06004	2.7
136.07561	5.6
138.05476	1.2
140.07030	14.5
146.06003	4.0
148.07559	8.8
150.09100	2.2
152.07040	2.7
162.09122	1.2
164.07043	2.4
166.08577	4.5
172.03915	7.5
173.04672	0.8
174.05498	6.9
174.09131	1.1
176.07033	7.2
190.04974	2.5
192.06589	1.4
202.08617	0.9
204.06512	10.5
206.08034	3.0
208.09639	5.2
209.10672	1.3
210.11464	1.3
211.12312	2.2
212.13028	1.2
212.80252	0.8
222.11469	1.4
223.12244	2.6
224.13028	1.4
225.10220	3.1
225.13748	2.1
226.10989	0.9
227.11790	3.6
229.13339	1.2
235.08578	1.0
235.12170	1.4
236.09389	1.0
237.10165	6.9
237.13860	1.6
238.10863	4.1
239.11745	14.6
240.12434	1.9
241.09642	0.8
241.13339	2.2
248.09363	2.6
249.10225	4.0
250.10995	5.4
251.11775	21.8
252.12520	4.3
253.13338	16.1
254.13913	1.4
255.11160	1.0
261.10071	1.3
261.12442	1.7
263.08844	0.9
263.11731	17.8
264.08911	1.5
264.12433	3.3
265.09726	6.2
265.13293	24.8
266.10468	3.7
266.14117	5.1
267.11191	7.4
267.14853	2.3
268.11853	2.8
269.12732	2.6
271.14417	1.9
274.10596	2.0
275.11740	3.2
276.12421	1.7
277.09634	4.5
277.13181	6.1
278.10355	4.5
279.11240	100.0
280.11929	8.6
281.12808	14.8
282.13455	1.7
283.14322	1.2
285.12329	1.1
287.13889	3.8
291.11261	8.6
292.11850	6.5
293.09454	1.6
293.12735	15.8
294.13571	3.4
295.10693	5.2
295.14334	2.9
297.12250	12.8
298.13043	1.7
299.13928	2.5
307.10699	1.9
309.12299	9.3
310.12820	18.2
311.13815	24.0
312.14523	3.3
313.11792	2.1
313.15387	3.7
319.10757	6.2
320.11313	1.0
321.12280	16.9
322.12738	1.3
327.13403	1.0
328.13849	3.1
329.14905	0.9
331.16586	1.1
337.11801	4.3
338.12585	2.4
339.13370	18.1
340.13803	1.0
341.14923	1.4
345.14285	3.2
351.13416	5.5
353.14893	3.6
357.14780	0.9
369.14340	4.1
370.15045	1.5
371.15781	3.0
379.12634	2.6
380.13058	1.2
381.14417	6.1
382.15274	1.3
383.15964	2.4
384.16925	1.3
395.15894	3.2
397.17603	2.1
399.15317	2.9
400.16574	4.6
401.17200	1.4
402.18039	1.2
407.15665	0.9
411.15439	6.6
412.16370	1.7
413.16873	2.9
414.17828	0.9
415.18457	2.6
419.15707	1.5
423.15698	1.9
431.18112	1.0
433.19589	3.6
434.20581	1.1
435.15610	1.9
437.17065	3.3
439.14441	5.6
440.15524	3.0
441.16434	11.9
442.17047	2.7
443.18115	1.6
444.18698	1.1
447.15207	0.9
453.16354	6.5
454.17133	3.1
455.18088	8.9
456.18478	2.1
459.17569	5.3
460.18283	2.7
463.14935	3.2
465.16312	2.9
469.16437	1.2
471.17395	9.7
472.18198	4.3
473.19202	4.4
478.19299	0.9
481.16025	21.8
482.16675	8.1
483.17609	19.8
484.17969	1.6
499.17041	29.3
500.17679	7.3
501.18533	23.9
502.19235	2.6
513.18719	5.4
514.18756	1.5
515.20117	6.7
531.19751	9.5
532.19855	1.8
533.21252	17.2
534.21472	1.0
552.23053	1.2
560.23596	3.5
568.20337	1.5
578.24451	2.0
586.22046	3.8
596.26086	8.3
597.26294	1.2
601.26361	2.3
604.22900	9.7
605.22778	2.0
609.60620	1.0
618.24640	1.3
622.23859	48.2
623.24194	7.9
624.25476	1.9
636.25354	1.9
640.24890	61.6
641.25195	7.9
643.27081	2.6
645.27197	0.9
654.26434	14.7
655.26550	2.1
672.27502	22.3
672.38092	0.8
673.27972	4.3
683.30322	1.6
709.28632	6.6
710.28760	1.3
719.32855	1.2
727.29462	4.5
745.30615	23.6
746.30194	3.3
763.31628	11.0
764.31689	1.7
777.32770	3.0
778.32532	0.9
795.33350	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	794.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	12.3
57.07068	32.0
67.05495	14.5
69.03413	1.6
69.06747	0.7
69.07054	9.3
70.39409	2.7
71.01317	1.1
71.04951	2.3
71.08620	25.5
73.02878	1.2
73.51456	0.7
76.89265	0.8
78.50681	0.9
79.05483	9.2
81.03407	63.4
81.06601	1.0
81.07044	17.8
83.04937	3.0
83.08605	18.6
85.02856	2.8
85.06499	1.2
85.10175	13.4
86.09669	1.9
87.04458	3.5
89.05968	1.1
91.04922	0.9
91.05473	12.8
93.07026	6.3
95.04956	19.0
95.08595	20.3
97.02836	3.2
97.06480	1.3
97.09676	0.8
97.10154	8.5
99.11733	1.0
105.06429	0.7
105.07018	8.9
105.84304	0.7
107.04938	5.3
107.08566	3.5
109.06458	2.8
109.10143	8.4
111.04433	1.1
111.08092	6.8
111.11691	3.1
115.05411	1.8
117.07013	1.5
119.04967	1.2
119.08562	9.4
121.06483	3.8
121.10136	5.1
123.04379	2.9
123.08056	1.6
123.11668	3.4
125.05998	0.8
125.09585	1.3
126.54100	0.8
129.06989	6.8
130.08591	1.6
131.08553	6.1
133.06451	2.9
133.10112	5.1
135.08032	1.0
135.11591	1.2
137.13211	1.1
141.01744	1.7
142.07698	1.0
143.08527	0.7
145.10049	2.0
147.08006	2.4
147.11662	5.8
149.09567	5.0
155.08505	0.8
157.10143	8.6
160.09682	1.7
163.11172	1.0
165.12732	2.1
171.11652	0.8
175.11148	8.4
184.07283	4.7
193.12213	28.3
205.12177	1.4
207.13889	0.9
211.13222	2.5
221.27747	0.7
225.14876	1.9
235.13249	3.6
249.14844	1.8
259.13342	0.8
267.15875	100.0
267.26834	3.1
268.16241	1.1
271.13168	1.2
277.14230	1.7
285.27975	1.7
289.14426	2.3
298.93683	0.8
305.13699	1.1
309.16879	4.0
315.12341	1.4
333.13345	1.4
341.30457	96.6
342.30908	3.6
342.34686	0.7
345.17023	1.0
351.14142	1.2
359.31631	0.9
407.16833	1.1
443.19101	5.7
443.30048	1.0
517.33679	1.4
533.41943	79.8
534.42120	2.4
551.42932	1.1
575.43195	5.0
629.43970	2.9
655.42487	1.4
673.42944	1.2
691.43878	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	794.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	17.3
57.07068	7.1
57.69003	0.9
61.02918	4.5
61.75486	1.0
64.46220	1.0
65.03938	3.6
65.90159	1.0
67.05494	93.3
68.05816	2.1
69.03407	1.6
69.06675	1.9
69.07056	36.6
70.89243	1.2
70.89578	2.4
71.04977	2.4
71.08622	3.7
79.05482	43.5
81.03375	1.1
81.07044	98.1
82.07404	1.3
82.12846	1.1
83.04972	2.5
83.08610	18.2
85.02876	4.9
85.06539	2.5
85.10145	1.2
87.04450	5.5
91.03938	1.5
91.05462	28.6
93.07030	50.5
94.07353	1.3
95.04970	3.6
95.08592	79.7
96.08906	1.3
97.02892	2.7
97.06521	3.7
97.10155	9.3
99.08076	3.1
105.04518	1.3
105.07015	21.3
107.08577	30.4
109.06525	1.3
109.10143	33.3
109.10860	2.2
111.08075	2.2
111.11744	2.1
113.09667	1.2
117.06963	5.8
119.08559	17.5
121.10120	24.9
123.08057	2.2
123.11684	14.5
129.06993	1.1
131.08536	14.0
133.10112	18.4
135.11667	15.2
137.09636	1.1
137.13251	4.6
143.08536	1.8
145.10101	9.7
147.11661	12.0
148.12148	1.1
149.13242	10.4
151.11200	1.3
151.14832	1.7
157.10104	2.2
159.11691	8.0
161.13223	9.5
162.99135	1.2
163.14789	7.1
169.10062	1.3
171.11652	2.0
173.13219	7.5
175.14806	5.2
177.16345	2.7
179.18036	1.4
187.14857	3.3
189.16388	1.5
199.14745	1.4
201.16382	1.7
203.17929	1.5
205.15852	1.0
215.17874	1.6
218.56624	0.9
219.21014	1.2
233.22586	1.2
241.19588	2.5
243.21080	8.7
245.22664	3.4
259.20496	6.5
261.22122	27.3
262.22650	1.1
263.23792	5.4
279.22961	1.3
287.23529	1.1
317.24777	3.7
333.24185	4.9
335.25766	91.4
336.26190	3.8
337.27313	100.0
338.27954	3.2
339.28934	8.6
341.28510	1.1
372.75900	1.1
447.31357	1.4
491.37421	1.7
523.45239	5.1
531.40857	1.3
541.45831	2.9
556.96338	1.1
597.48676	41.5
598.48798	3.3
615.49768	37.1
615.58386	0.6
615.60004	1.2
616.49701	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	793.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.2
57.07056	3.7
59.04970	1.2
61.02913	11.7
63.10848	0.8
63.39938	1.0
65.03936	2.3
67.05491	23.1
69.03415	12.1
69.06676	1.6
69.07056	30.4
69.46587	2.5
69.47009	7.2
70.07394	0.9
71.01341	2.6
71.04980	10.4
71.08604	1.0
73.02904	100.0
74.31906	0.8
79.05482	8.5
81.07043	38.1
83.04964	6.6
83.08604	7.2
85.02897	11.8
85.06522	1.3
87.04443	3.5
89.66269	0.9
91.05463	13.1
93.07025	26.7
95.04960	2.5
95.08591	50.4
97.02872	9.8
97.06499	2.4
97.10151	3.3
103.05467	1.0
105.07012	23.2
107.04932	0.8
107.08572	36.4
109.06504	2.2
109.10138	76.5
110.10439	1.6
111.04430	11.3
111.08057	1.9
111.11706	2.8
113.05982	3.6
115.03902	16.8
117.05479	1.9
117.06963	2.8
119.08562	28.8
121.06468	2.6
121.10126	37.0
123.08079	1.6
123.11685	38.1
125.06003	1.6
125.09598	0.9
125.13235	1.0
127.03915	1.2
129.05464	12.7
129.06932	1.5
131.08545	11.7
133.04953	3.9
133.10107	22.5
135.08057	5.9
135.11667	36.3
136.06143	2.1
137.05928	1.0
137.09612	1.1
137.13220	18.3
139.07524	2.3
143.08540	8.2
145.10100	18.2
147.07994	1.7
147.11647	13.0
149.09589	1.5
149.13239	13.7
151.07545	1.3
151.14790	3.4
153.09027	1.5
153.12663	1.1
156.09360	1.7
157.10094	9.1
159.08020	1.9
159.11655	18.6
161.09616	2.4
161.13214	11.5
162.13698	0.8
163.03894	1.3
163.07512	10.9
163.14783	10.2
165.09114	2.8
165.16399	1.3
169.10124	1.6
171.06610	4.4
171.11649	7.7
173.09543	1.6
173.13248	13.0
174.13629	1.0
175.11221	2.1
175.14786	8.2
177.09081	7.4
177.12645	1.2
177.16360	4.0
179.10634	4.3
179.18036	1.1
181.10051	1.0
183.11653	3.1
185.13232	10.8
187.11125	1.6
187.14792	17.5
189.07555	14.0
189.09099	4.1
189.16321	7.3
191.10637	4.1
191.17911	16.2
193.10239	0.8
193.12120	2.0
193.19485	8.5
195.11618	2.1
197.13293	3.2
199.11084	0.9
199.14757	6.4
201.12740	2.0
201.16325	8.6
203.10637	3.3
203.14301	1.5
203.17940	9.2
205.12221	1.9
205.19484	4.2
207.13705	0.9
209.13242	1.7
211.14789	2.7
213.12686	0.8
213.16316	4.1
215.14301	1.3
215.17937	3.7
217.12212	2.3
217.19540	3.3
219.13812	3.2
219.21117	2.8
221.15392	2.6
221.18871	1.2
223.14857	1.8
225.16344	2.1
227.14348	1.5
227.17949	3.3
229.15932	1.3
229.19545	1.8
231.13695	5.2
233.15317	5.4
237.16399	0.9
239.17892	2.0
241.19490	2.6
243.21111	2.5
245.15288	10.0
247.16927	8.0
251.18054	0.8
253.19545	1.7
255.17458	2.0
255.20976	2.4
257.15240	1.2
259.16891	3.3
261.18427	1.1
267.20972	2.0
269.22498	1.2
271.16763	1.0
273.18494	3.0
285.18353	2.1
297.22150	0.9
299.20032	5.3
301.21674	2.0
307.24026	1.0
308.45322	1.0
309.25641	3.5
313.21637	3.9
315.23129	5.8
321.25980	1.2
323.27463	1.6
327.26978	1.1
333.25589	1.5
351.26694	4.5
367.26413	1.4
369.27847	57.2
370.28131	3.3
377.32028	5.1
381.27805	3.1
387.28812	3.5
409.34335	1.3
419.32996	3.3
437.34109	28.2
438.34402	1.8
455.35031	5.0
527.37207	3.3
569.37671	1.9
587.39331	41.5
588.39252	4.5
618.24426	1.0
689.31610	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	793.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	11.7
57.07056	3.1
59.04997	1.1
61.02914	12.6
65.53721	1.0
67.05134	1.5
67.05495	28.6
69.03419	11.5
69.07056	29.1
69.45029	12.6
71.01332	3.2
71.04959	2.7
73.02902	100.0
79.05469	13.6
81.03412	1.2
81.07042	38.9
83.04967	24.1
83.08598	7.5
85.02889	52.9
85.06525	2.1
87.04462	2.7
91.05457	11.0
93.07024	25.7
94.07387	1.0
95.04952	3.0
95.08590	45.3
96.08912	1.3
97.02874	9.0
97.06515	2.6
97.10152	4.0
105.07011	24.0
107.08572	36.7
109.06544	2.6
109.10137	79.6
110.10415	1.8
111.04417	11.4
111.08027	2.8
111.11701	3.6
115.03912	14.7
117.07003	4.5
119.08559	30.3
121.06470	1.9
121.10125	35.4
121.10954	2.0
121.33852	1.0
122.10472	2.0
123.08056	2.4
123.11684	37.2
127.03969	2.4
129.05466	6.0
129.06946	1.7
131.08543	11.9
133.04950	4.0
133.10106	25.4
135.08012	7.9
135.11668	34.3
136.06152	2.9
137.09590	1.1
137.13219	15.3
139.07564	2.1
139.11136	2.0
142.48618	1.0
143.08553	8.8
145.10095	17.2
145.35472	1.0
147.08012	2.5
147.11649	12.8
149.09564	3.1
149.13226	14.5
151.07497	2.6
151.14804	3.7
155.08556	2.3
157.10115	10.7
159.08018	1.3
159.11661	20.2
161.09598	1.7
161.13223	10.1
163.07498	10.7
163.11139	1.9
163.14822	10.0
165.09093	2.5
165.16400	1.2
167.10664	1.1
169.10074	2.6
171.06503	27.2
171.07936	2.3
171.11613	5.4
173.13246	13.1
175.11176	2.0
175.14795	10.3
177.09087	6.0
177.16379	4.9
179.10680	3.6
179.14284	2.1
183.11650	2.8
185.13222	8.5
187.11264	1.9
187.14804	17.0
189.07541	10.6
189.09094	4.8
189.16341	9.9
191.10692	3.7
191.17932	14.2
193.12222	2.0
193.19481	5.6
197.13211	4.0
199.14828	6.1
201.12709	1.4
201.16330	9.2
203.10709	2.6
203.14354	2.4
203.17894	7.6
205.12242	2.6
205.19482	3.1
207.13744	1.9
207.17418	1.3
209.13165	1.6
211.14818	2.1
213.16405	4.8
215.17949	4.4
217.12206	1.9
217.19525	4.0
219.13806	4.2
219.21068	4.1
221.15253	1.6
223.14790	1.6
225.16425	2.2
227.14410	1.5
227.17894	4.2
229.16019	1.4
229.19424	2.2
231.13762	3.3
233.15309	5.3
239.17908	2.2
241.15961	1.6
241.19601	1.4
243.21120	1.8
245.15311	10.2
247.16907	7.7
253.19482	2.6
255.21089	2.2
259.16937	4.1
267.10266	1.1
267.20975	2.0
269.22589	1.6
271.16776	1.1
273.18457	2.4
275.20044	1.4
285.18570	1.9
287.19992	1.2
295.20685	1.6
297.22217	1.3
299.19998	5.1
301.21417	2.2
307.24231	1.4
309.25690	3.0
313.21603	3.1
315.23154	4.9
323.27216	2.6
327.23212	1.3
333.25638	2.7
351.26837	6.9
369.27832	52.3
370.28253	1.7
377.32144	5.4
381.27686	2.6
387.28833	3.8
395.33151	1.6
409.34915	1.6
419.33047	3.9
437.34076	26.9
438.34406	1.9
455.35208	5.4
492.96838	1.1
527.37366	2.4
560.36731	1.6
569.38507	2.1
587.39362	39.7
588.39740	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	793.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.2
57.07056	3.7
59.04970	1.2
61.02913	11.7
63.10848	0.8
63.39938	1.0
65.03936	2.3
67.05491	23.1
69.03415	12.1
69.06676	1.6
69.07056	30.4
69.46587	2.5
69.47009	7.2
70.07394	0.9
71.01341	2.6
71.04980	10.4
71.08604	1.0
73.02904	100.0
74.31906	0.8
79.05482	8.5
81.07043	38.1
83.04964	6.6
83.08604	7.2
85.02897	11.8
85.06522	1.3
87.04443	3.5
89.66269	0.9
91.05463	13.1
93.07025	26.7
95.04960	2.5
95.08591	50.4
97.02872	9.8
97.06499	2.4
97.10151	3.3
103.05467	1.0
105.07012	23.2
107.04932	0.8
107.08572	36.4
109.06504	2.2
109.10138	76.5
110.10439	1.6
111.04430	11.3
111.08057	1.9
111.11706	2.8
113.05982	3.6
115.03902	16.8
117.05479	1.9
117.06963	2.8
119.08562	28.8
121.06468	2.6
121.10126	37.0
123.08079	1.6
123.11685	38.1
125.06003	1.6
125.09598	0.9
125.13235	1.0
127.03915	1.2
129.05464	12.7
129.06932	1.5
131.08545	11.7
133.04953	3.9
133.10107	22.5
135.08057	5.9
135.11667	36.3
136.06143	2.1
137.05928	1.0
137.09612	1.1
137.13220	18.3
139.07524	2.3
143.08540	8.2
145.10100	18.2
147.07994	1.7
147.11647	13.0
149.09589	1.5
149.13239	13.7
151.07545	1.3
151.14790	3.4
153.09027	1.5
153.12663	1.1
156.09360	1.7
157.10094	9.1
159.08020	1.9
159.11655	18.6
161.09616	2.4
161.13214	11.5
162.13698	0.8
163.03894	1.3
163.07512	10.9
163.14783	10.2
165.09114	2.8
165.16399	1.3
169.10124	1.6
171.06610	4.4
171.11649	7.7
173.09543	1.6
173.13248	13.0
174.13629	1.0
175.11221	2.1
175.14786	8.2
177.09081	7.4
177.12645	1.2
177.16360	4.0
179.10634	4.3
179.18036	1.1
181.10051	1.0
183.11653	3.1
185.13232	10.8
187.11125	1.6
187.14792	17.5
189.07555	14.0
189.09099	4.1
189.16321	7.3
191.10637	4.1
191.17911	16.2
193.10239	0.8
193.12120	2.0
193.19485	8.5
195.11618	2.1
197.13293	3.2
199.11084	0.9
199.14757	6.4
201.12740	2.0
201.16325	8.6
203.10637	3.3
203.14301	1.5
203.17940	9.2
205.12221	1.9
205.19484	4.2
207.13705	0.9
209.13242	1.7
211.14789	2.7
213.12686	0.8
213.16316	4.1
215.14301	1.3
215.17937	3.7
217.12212	2.3
217.19540	3.3
219.13812	3.2
219.21117	2.8
221.15392	2.6
221.18871	1.2
223.14857	1.8
225.16344	2.1
227.14348	1.5
227.17949	3.3
229.15932	1.3
229.19545	1.8
231.13695	5.2
233.15317	5.4
237.16399	0.9
239.17892	2.0
241.19490	2.6
243.21111	2.5
245.15288	10.0
247.16927	8.0
251.18054	0.8
253.19545	1.7
255.17458	2.0
255.20976	2.4
257.15240	1.2
259.16891	3.3
261.18427	1.1
267.20972	2.0
269.22498	1.2
271.16763	1.0
273.18494	3.0
285.18353	2.1
297.22150	0.9
299.20032	5.3
301.21674	2.0
307.24026	1.0
308.45322	1.0
309.25641	3.5
313.21637	3.9
315.23129	5.8
321.25980	1.2
323.27463	1.6
327.26978	1.1
333.25589	1.5
351.26694	4.5
367.26413	1.4
369.27847	57.2
370.28131	3.3
377.32028	5.1
381.27805	3.1
387.28812	3.5
409.34335	1.3
419.32996	3.3
437.34109	28.2
438.34402	1.8
455.35031	5.0
527.37207	3.3
569.37671	1.9
587.39331	41.5
588.39252	4.5
618.24426	1.0
689.31610	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	793.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05497	2.8
57.03433	2.3
62.01969	0.9
67.05489	4.3
69.03417	5.8
69.07049	2.7
70.06573	1.9
71.04966	1.3
71.79493	1.0
71.79945	1.2
73.02892	1.0
78.98273	0.9
78.98796	0.8
79.05484	3.7
79.29150	0.9
81.03419	6.6
81.07059	5.0
82.56100	0.9
83.04971	2.7
83.08594	2.1
84.08158	1.1
85.02882	8.5
85.06541	1.2
91.05466	4.0
93.07047	2.9
94.06568	1.8
95.04969	3.5
95.08565	4.6
97.02879	3.8
97.06526	2.1
99.04436	1.8
105.07024	4.0
106.06553	2.9
107.04959	1.6
107.08598	3.6
108.08096	14.2
109.02879	2.7
109.10149	4.1
111.04446	1.5
114.09165	1.9
115.03912	1.3
115.05527	1.0
117.06985	2.0
118.06553	1.2
119.08591	5.3
120.08112	3.0
121.06462	1.8
121.10137	4.7
122.06012	5.8
122.09634	1.4
123.11690	2.5
124.07568	11.7
125.06013	1.5
125.09624	1.0
127.03897	2.6
129.05478	0.9
131.04921	1.4
131.08549	0.9
133.10132	2.5
134.05989	2.1
135.11714	1.9
136.06218	4.5
136.07549	5.1
137.05931	1.8
140.07014	1.8
143.08603	1.2
145.02840	2.3
145.04961	2.4
145.10130	1.7
146.06000	4.8
147.04393	1.4
147.11697	2.5
148.07555	8.9
149.91034	1.1
150.09148	2.5
151.07504	1.1
152.07054	1.9
153.05461	3.7
157.10089	1.3
159.11694	2.5
160.07526	1.9
160.09706	1.8
162.09111	2.1
163.03925	1.0
163.06046	1.8
164.07040	2.2
166.08604	4.0
167.07018	2.9
172.03934	4.4
173.09619	1.0
173.13255	1.3
174.05531	4.2
174.09224	1.5
175.03995	1.3
175.14825	1.7
176.07028	5.2
177.05472	2.8
181.04971	1.3
187.14847	1.5
189.16351	1.1
190.04980	1.6
191.05698	1.3
192.06587	1.4
193.12305	1.2
197.10683	1.5
197.13187	1.0
202.08490	1.2
203.17986	2.0
204.06462	6.2
206.08061	2.0
207.06581	2.2
208.09575	5.5
209.10739	2.1
210.11562	1.7
211.08702	2.9
211.12253	2.9
212.09297	1.1
212.12979	1.0
215.17821	1.3
221.10793	1.6
223.12296	3.6
224.12987	2.0
225.10231	3.7
225.13800	2.8
226.10921	1.4
227.11737	4.8
228.06606	1.0
235.08614	1.8
235.12341	2.6
236.09348	1.7
236.13074	1.3
237.10205	8.0
237.13872	1.9
238.10913	4.5
239.11746	15.0
240.12512	2.8
241.13419	2.0
243.11235	1.5
245.13039	1.8
248.09596	1.0
249.10190	6.7
250.10884	6.4
251.11768	26.8
252.10132	1.7
252.12488	9.2
253.09575	1.4
253.13332	13.3
261.10083	1.3
262.11029	2.1
263.11710	14.7
263.14236	1.2
264.08975	1.6
264.12567	3.1
265.09760	9.1
265.13345	20.6
266.10501	6.9
266.13959	4.5
267.11273	7.0
267.15274	2.4
268.11887	1.2
269.12888	4.0
271.14444	3.0
274.10712	2.0
275.11774	2.0
276.12396	1.6
277.10120	5.6
277.13028	5.7
278.10446	6.8
279.11249	100.0
280.11896	9.5
281.09833	0.9
281.12808	24.6
282.13489	2.3
283.10718	1.5
285.12311	3.4
287.13943	1.4
291.11310	8.0
292.11984	6.4
293.09473	1.4
293.12717	10.5
294.13513	2.2
295.10736	3.8
295.14365	2.9
296.11557	1.8
297.12323	14.7
298.12936	1.5
299.13870	3.7
307.10739	1.8
309.12360	6.1
309.38156	1.1
310.12854	12.1
311.13873	13.9
312.14749	2.4
313.15463	3.6
315.13687	1.2
319.10562	5.0
321.12317	14.7
322.12457	1.4
323.13898	2.8
325.11667	1.6
328.14603	1.7
329.15186	2.5
331.16736	1.7
336.10532	2.0
337.11740	4.0
337.15445	1.3
338.12515	2.0
339.13367	9.7
341.15002	2.2
342.12122	2.4
342.15692	4.2
351.13275	2.2
356.13791	1.8
357.14819	2.7
358.15436	2.0
369.14493	2.2
370.15671	1.9
371.16107	2.1
372.16959	1.8
374.18851	1.1
375.13419	1.2
379.12552	1.4
381.14233	1.8
384.13013	1.4
384.17291	1.6
385.13910	1.2
388.16321	1.3
395.16046	3.6
395.71826	1.1
397.17264	2.7
398.14841	3.8
399.15619	2.3
400.16458	3.8
402.18253	1.7
405.14185	1.3
411.15768	1.4
413.17044	2.2
414.18115	1.3
415.18542	3.4
423.15390	2.6
423.32486	1.3
430.17447	2.4
433.19687	2.9
433.32776	1.4
435.15308	2.4
436.22366	1.3
437.17178	2.3
440.15994	2.8
441.16519	7.9
442.17477	2.7
451.31909	2.6
453.16522	5.2
454.17441	2.8
458.17105	2.8
462.19876	1.0
463.14874	4.1
465.16599	3.0
465.22327	1.8
469.33395	4.6
473.19138	4.2
481.16016	13.4
482.16541	6.8
483.17645	13.0
484.18283	1.1
485.19189	3.4
486.19995	3.5
487.20874	1.4
490.19598	5.5
495.17728	1.4
500.17856	2.0
513.18719	25.5
514.19324	8.2
515.20154	24.2
544.24329	2.1
545.20984	4.4
547.22876	12.8
568.20416	1.4
570.22040	3.2
586.21759	4.0
588.23218	5.1
595.37952	1.6
599.24969	3.3
604.23053	6.6
606.24438	22.4
616.22449	2.6
620.23669	2.9
634.23920	8.1
636.25494	5.3
637.25409	1.8
638.26996	98.0
639.27509	6.6
652.24908	13.4
670.29706	11.5
693.28986	9.4
711.29700	5.1
729.31116	11.0
743.29529	3.4
761.33868	17.1
793.35504	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	793.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05503	1.4
57.03407	1.6
58.10583	0.9
61.02922	1.1
67.05480	3.3
69.03413	3.4
69.07047	2.7
70.06578	1.2
71.04973	2.8
72.08150	0.9
79.05481	3.8
81.03411	5.9
81.07034	4.3
81.69807	0.9
83.04956	1.5
85.02901	7.0
91.05458	2.7
93.07029	2.6
94.06548	1.7
95.04940	2.1
95.08591	3.8
96.08110	1.2
97.02883	3.1
99.04473	1.1
105.07026	3.1
106.06553	3.6
106.77155	0.8
107.04957	1.2
107.08574	2.2
108.08102	10.9
108.42052	0.9
109.02884	3.1
109.06524	1.1
109.10128	2.7
111.08086	1.1
112.32741	0.9
113.06025	0.9
114.09135	0.9
119.08559	3.4
120.08111	2.7
121.10135	2.0
122.06000	3.1
122.09617	1.6
123.11691	1.3
124.07580	12.4
125.05968	1.5
127.03928	2.4
131.04887	1.1
133.10117	1.8
134.06036	2.9
135.08000	1.1
135.11604	0.9
136.06189	3.6
136.07565	5.1
137.05952	3.4
138.09126	0.9
143.64494	0.9
145.04985	1.1
145.06517	1.2
145.10123	1.4
145.58095	0.8
146.05988	6.0
146.34877	0.8
147.04364	1.7
148.07538	8.8
150.09106	2.2
152.07027	2.6
153.05406	1.2
157.09996	0.9
159.11673	1.7
160.07570	1.4
162.09125	2.5
163.03979	1.6
164.07079	2.8
166.08636	4.3
167.07051	2.4
172.03882	4.6
174.05470	4.9
174.09096	1.5
176.07030	4.8
177.05424	1.5
185.13269	1.2
190.05009	1.2
191.05695	1.7
191.14229	1.4
197.10771	1.8
204.06496	5.8
206.08101	2.4
208.09714	4.0
209.10573	1.8
211.08655	2.6
211.12286	3.0
212.12912	2.1
221.10675	1.2
223.12299	3.3
224.13246	1.4
225.10263	4.3
225.13908	3.3
226.10881	1.3
226.14485	1.1
227.11745	4.9
229.13535	0.9
232.09526	1.3
234.11421	1.2
235.08572	1.7
235.12306	2.3
236.09460	1.3
237.10156	7.9
237.13820	2.2
238.10948	5.2
239.11737	16.2
240.12514	2.9
241.13365	1.6
248.09393	1.5
249.10237	6.9
250.10895	7.1
251.11784	28.3
252.12558	8.9
253.09599	1.7
253.13350	14.7
254.13971	2.1
255.11279	2.2
261.10239	2.3
262.10928	2.3
263.11731	15.2
264.08926	3.4
264.12579	4.7
265.09717	9.0
265.13339	19.7
266.10623	6.4
266.13986	6.8
267.11270	6.4
267.15054	2.1
268.11758	1.5
269.12811	5.9
271.10968	1.0
271.14444	3.2
274.10706	1.9
275.11713	3.2
277.09912	6.6
277.13019	6.2
278.10587	5.9
279.11258	95.2
280.11905	9.7
281.12839	24.3
283.10532	1.2
283.14404	1.0
285.12183	4.2
291.11227	7.1
292.11926	6.2
293.12805	15.4
294.13565	4.0
295.10715	5.1
295.14407	2.7
296.11584	1.3
297.12314	15.8
298.12906	1.2
299.13870	3.4
307.10715	1.1
309.12262	6.3
310.12836	15.2
311.13800	15.6
312.14587	3.2
313.12201	1.0
313.15479	2.9
319.10681	5.3
320.11438	1.1
321.12268	14.6
323.13925	1.9
325.11627	1.1
325.15356	1.2
329.15073	3.1
331.16623	1.3
336.10754	1.3
337.11801	3.7
338.12521	1.4
339.13406	8.5
340.13589	1.0
341.15082	1.2
342.11945	2.3
342.15576	3.4
351.13309	2.3
353.14880	1.4
356.13925	2.7
357.14575	2.7
358.15460	2.0
365.14816	1.1
369.14532	3.3
370.15414	3.1
371.16043	3.1
372.17056	2.0
379.12772	1.3
381.14435	2.3
384.12912	2.1
384.17230	2.2
385.13907	1.0
394.15469	1.4
395.15707	3.5
397.17816	2.3
398.14905	3.9
399.15683	4.0
400.16571	5.3
402.18234	2.1
412.16528	2.6
413.16919	1.7
414.18008	2.5
415.18646	2.1
418.17230	1.2
419.15955	1.4
423.15472	3.6
430.17615	2.8
431.17978	1.5
433.19675	4.0
433.32776	1.2
435.15414	1.7
437.16965	3.0
440.15787	3.2
441.16400	7.4
442.17120	2.8
447.15201	1.3
453.16464	5.4
454.17255	2.4
455.18088	2.3
458.17200	4.7
460.19171	1.3
462.19733	1.2
463.15015	3.6
464.15915	1.7
465.16434	3.8
465.22244	2.4
473.19147	6.6
474.19748	1.6
481.16010	12.7
482.16779	7.3
483.17593	11.8
485.19247	2.2
486.19739	3.8
490.19510	6.3
495.17609	1.3
513.18665	27.9
514.19366	8.0
515.20233	23.1
532.19885	2.1
544.24420	2.7
545.21210	4.2
547.22772	11.8
562.25159	2.2
568.20355	1.6
570.22107	3.2
586.21741	2.0
588.23663	5.2
595.37885	1.5
599.24597	2.7
602.22925	1.7
604.22668	5.6
606.24463	21.5
607.25116	1.4
616.22852	2.6
620.23584	3.4
634.23993	8.4
636.25360	6.0
637.26025	1.6
638.26996	100.0
639.26813	5.4
652.24963	14.4
670.29706	12.8
693.29065	9.5
711.30133	6.5
729.31268	10.9
739.28632	1.1
743.29401	3.4
761.33801	19.1
793.34460	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	793.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
55.05495	3.6
57.03428	2.2
60.14906	1.4
63.02395	1.6
65.03925	2.6
67.05487	5.5
69.03410	6.2
69.07056	8.0
70.06567	5.9
72.08136	3.1
73.02872	1.7
75.11014	1.5
79.05476	5.4
81.03403	10.8
81.07030	4.3
83.04942	3.3
84.04453	2.0
84.08151	2.1
85.02883	6.1
89.03907	2.8
91.05462	4.8
93.07012	3.7
94.06565	13.1
95.04961	4.5
95.08566	2.0
96.08120	2.2
97.02870	5.0
97.06525	2.4
99.04445	2.1
105.07005	3.3
107.04944	3.6
107.32113	1.9
108.08093	7.0
109.02850	8.9
110.06053	4.0
111.04412	1.9
112.07609	4.6
114.09163	3.5
116.04945	2.2
118.06551	2.7
119.04931	3.9
119.08548	1.6
119.44598	1.9
120.08073	2.6
121.06474	3.1
121.10115	2.5
122.06017	35.9
123.04436	2.9
124.07566	7.4
127.03905	5.7
130.08655	11.6
131.04861	3.2
133.10005	1.9
134.06020	5.6
135.04298	1.7
136.06168	2.2
136.07538	5.8
137.05954	6.8
137.09633	1.7
137.72968	1.8
138.05469	2.2
140.06009	3.2
140.07042	50.0
144.04388	4.1
144.08066	4.1
145.02809	5.1
145.10089	1.8
146.05984	26.7
146.08015	8.3
147.04420	12.7
147.08459	1.9
148.07582	12.5
149.05956	2.6
152.07085	4.1
153.05466	2.8
161.05951	3.5
161.07198	2.0
162.05513	4.7
163.03885	10.9
164.07051	3.0
167.07065	5.8
172.03918	34.0
174.05478	34.5
175.03914	2.4
176.07013	10.2
177.05460	11.4
178.05858	2.3
181.04872	2.7
182.09660	3.4
188.07004	2.5
190.04980	7.6
191.05702	3.4
192.06537	2.9
193.08710	2.4
197.10678	4.9
199.12247	9.8
204.06532	49.9
206.08145	19.8
207.06506	4.0
209.08105	2.3
209.10724	3.9
210.09258	2.4
210.11462	2.0
211.08752	8.1
211.12172	2.5
212.09349	4.9
213.10211	2.6
216.10130	1.8
223.12175	2.6
224.09244	3.9
225.10175	16.7
226.10997	3.7
227.11771	69.3
229.86008	2.0
235.12250	2.3
236.09367	2.6
237.10146	11.2
238.10991	5.6
239.11804	9.4
240.12384	4.3
241.13269	4.3
243.11263	6.8
249.10182	6.0
251.08292	2.5
251.11784	11.0
252.12579	3.5
253.09770	10.2
253.13315	4.1
255.11240	4.0
261.12320	3.3
263.08173	5.1
263.11679	6.0
265.09686	16.5
265.13513	2.9
266.10349	2.2
266.14182	2.3
267.11163	9.4
269.12842	28.0
271.10831	15.7
277.09692	7.8
278.10461	3.0
279.11203	12.1
280.12335	1.8
281.09308	3.7
281.12717	2.5
283.10770	9.4
284.11688	3.8
285.12317	17.1
286.12946	5.0
287.13879	29.3
291.11169	2.7
292.11725	2.0
293.12671	2.9
295.10754	4.4
297.12366	10.9
298.13440	2.4
299.13910	2.7
301.12350	6.1
302.12836	3.3
305.09091	3.0
309.11935	2.6
311.13901	3.5
313.11746	25.1
313.15298	2.3
314.12946	6.3
315.13626	6.4
316.14508	9.8
317.15302	2.0
321.11902	2.8
323.10306	2.7
325.11697	2.8
326.16595	3.3
327.13730	4.8
328.14679	8.8
329.11539	3.7
329.14996	21.2
330.12283	7.3
330.15991	14.7
331.12778	10.1
331.16727	13.1
332.17419	4.6
339.13437	6.0
340.14438	3.1
341.11942	2.2
342.12283	12.6
342.15805	3.0
343.12952	9.5
344.13773	5.9
344.17572	17.1
345.14517	24.4
345.18283	3.3
346.15213	2.9
346.19073	2.6
352.14368	2.7
354.12344	3.0
354.16177	4.0
355.13449	6.7
356.13992	13.9
356.17621	4.0
357.14703	9.9
358.15417	26.1
360.17090	4.6
363.15570	3.9
367.13278	3.3
368.13574	2.6
369.10605	2.9
369.14642	6.8
370.11533	5.0
370.15472	11.8
371.16193	5.7
372.13409	1.8
372.17029	15.5
373.14087	2.5
373.18347	2.5
374.18930	2.1
380.13965	3.1
381.14047	2.8
382.11414	10.8
382.16068	2.7
383.12552	6.3
384.13327	37.0
384.17532	2.2
385.13779	10.4
386.14554	14.9
386.18777	5.3
387.15665	3.7
388.16599	4.8
390.18085	7.4
392.19229	2.2
395.16003	17.5
397.13791	2.0
398.14932	55.2
398.19812	3.7
399.15726	63.5
400.16501	86.7
401.16998	3.5
402.13693	2.1
402.18414	2.2
411.15396	3.8
412.16327	7.8
413.17084	26.6
414.18414	12.7
415.14240	3.5
416.15732	7.9
417.16666	3.8
418.17560	9.9
422.15216	3.8
429.16849	2.4
430.17551	6.4
431.18115	22.0
432.18973	7.2
440.16040	9.4
441.16672	3.8
442.17426	3.3
446.16385	2.5
447.17639	3.4
449.18985	6.5
456.19159	3.1
457.15778	3.0
458.16962	19.3
459.17603	11.0
460.18546	5.6
472.18289	2.7
488.22504	1.9
490.19357	3.9
500.18335	5.3
510.22238	2.8
516.21124	4.0
520.19836	2.8
532.20673	2.1
534.22241	4.2
539.22406	3.5
540.21606	2.8
542.18829	2.1
555.25745	2.0
558.21979	2.7
560.19824	6.5
561.20557	2.9
562.21173	1.9
566.18970	5.0
576.22968	3.9
577.23834	2.9
579.21313	2.5
581.23474	5.6
584.19800	9.1
585.20508	4.8
586.21814	2.6
599.24951	58.8
602.21301	30.0
603.21960	18.5
604.22906	9.7
615.27490	3.6
619.91791	2.2
620.22290	39.2
621.22845	22.9
622.23206	5.1
631.28137	8.4
634.23804	3.5
641.25903	10.7
652.24854	8.4
653.24890	3.5
673.28534	3.8
681.28577	7.7
699.29663	5.9
707.26880	21.6
708.27112	2.4
717.31592	7.9
717.46240	1.9
725.28174	25.9
733.42841	7.1
743.29156	100.0
744.28729	5.9
757.30682	3.0
761.30139	84.4
762.29749	5.3
775.31635	11.5
793.32214	11.8
793.45331	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	793.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03432	1.4
67.05494	2.0
68.05020	1.6
69.02644	1.3
69.03409	3.3
69.07057	8.2
69.61327	9.7
70.06565	1.5
71.01344	1.1
71.04968	1.8
79.05472	2.6
80.04996	1.2
81.03417	7.5
81.07051	1.2
82.06560	1.1
84.08128	1.6
85.02887	4.8
86.09694	1.4
89.70458	1.0
91.05481	2.7
93.07024	2.0
94.06559	12.3
95.04966	5.1
97.02878	3.7
97.06503	1.8
99.04487	1.5
103.05448	1.6
104.05034	1.1
105.07005	2.6
106.06568	1.5
107.04974	2.4
108.04508	1.3
108.08125	7.1
109.02874	4.6
110.06041	1.6
111.04451	1.2
112.07581	2.0
114.09145	1.9
116.04945	1.5
118.06528	3.8
119.04930	1.7
120.08098	2.7
121.05254	1.2
121.06550	1.3
122.06016	30.7
123.04404	2.8
124.07592	11.4
125.05984	1.1
125.49009	1.3
127.03898	4.6
130.08623	2.3
131.04933	2.7
134.06012	2.5
135.04413	2.0
136.06178	2.9
136.07567	3.6
137.05956	3.2
140.07047	36.6
144.04413	2.8
144.08015	1.3
145.02861	1.4
146.05992	22.8
146.08099	1.9
147.04395	4.1
147.06773	2.5
148.07591	10.0
149.05983	1.6
150.09109	1.3
151.03850	1.5
158.09694	1.5
160.07587	2.3
161.05931	1.3
162.05508	4.7
162.09048	1.2
163.03859	3.3
163.06247	1.6
163.07504	1.6
166.08635	1.1
167.07098	4.2
172.03918	28.0
172.07593	2.7
173.04662	2.5
174.05484	29.5
174.09198	1.0
176.07019	11.8
177.05475	3.5
180.10190	1.2
181.04933	2.4
181.08734	1.3
182.09689	2.3
183.09082	2.3
184.07498	2.5
184.09885	1.8
186.09201	1.4
188.07037	2.3
190.04961	7.0
191.05692	2.8
191.07109	2.8
192.06552	4.4
195.09247	1.5
196.09930	1.7
197.10771	3.9
199.08731	2.2
199.12265	7.8
204.06531	42.0
206.08148	10.6
207.06683	2.0
208.09720	2.3
209.10791	2.6
210.09180	3.0
211.08611	7.0
211.12192	1.9
212.09441	4.2
213.10176	2.7
215.11958	2.3
216.10257	2.4
223.08560	2.1
223.12338	2.6
224.09352	3.0
225.10229	14.9
226.10989	3.9
227.11755	55.4
228.12263	2.1
236.09367	1.5
237.10205	7.2
238.10986	5.7
239.11731	11.7
240.12540	3.4
241.09734	3.0
241.13377	4.4
243.11244	15.0
245.12997	1.5
249.10175	6.3
250.10971	2.2
251.08148	2.5
251.11775	9.4
252.12550	2.3
253.09676	7.3
253.13324	4.7
255.11267	3.7
257.12784	1.8
261.09973	1.5
261.12283	2.9
262.10901	2.2
263.08047	5.6
263.11813	5.9
264.08963	3.5
264.12439	2.4
265.09726	14.3
265.13257	2.9
266.10413	3.5
267.11258	9.5
269.09763	1.9
269.12842	25.0
270.13223	1.4
271.10767	11.6
271.14304	2.1
277.09650	6.3
278.10596	2.6
279.11212	10.3
281.12891	1.3
283.10846	7.0
284.11597	2.8
285.12305	13.1
286.13113	3.4
287.10587	2.3
287.13828	24.2
289.13272	2.3
291.11218	3.0
291.46912	1.2
292.11765	1.9
293.09238	1.8
293.12933	3.2
295.10678	6.2
297.12320	11.8
299.13828	3.6
301.12128	3.7
302.12988	2.2
303.13574	1.9
305.09210	3.2
307.10745	2.0
309.12390	3.4
310.13031	2.3
311.13919	1.7
312.12283	1.8
313.11829	21.3
313.15430	1.5
314.12692	5.7
315.13565	7.2
316.11060	1.8
316.14560	10.0
317.15286	3.3
318.15955	1.6
319.10889	1.9
321.12225	1.3
322.12991	1.5
325.11874	3.3
326.12735	2.1
327.13641	4.0
327.17273	2.3
328.10867	1.6
328.14441	7.2
329.11615	2.5
329.15088	18.9
330.12268	4.8
330.16006	12.1
331.12958	9.5
331.16779	8.0
332.17557	2.9
335.10132	1.4
337.11740	2.5
339.13461	1.9
340.14685	2.0
341.12189	1.6
341.15643	2.2
342.12381	11.8
342.15976	3.9
343.13040	10.5
343.16895	1.7
344.13864	6.7
344.17596	12.6
345.14404	24.6
346.15344	3.8
347.16568	1.4
351.13428	2.5
352.14447	2.5
353.15125	3.0
354.12262	2.5
354.16040	4.6
355.13293	6.7
356.13812	12.1
356.17426	1.8
357.14761	9.8
358.15466	24.1
358.19269	1.2
359.16107	2.3
360.17108	7.0
366.16000	1.8
367.12854	2.0
368.13852	3.7
368.17831	2.3
369.10583	1.9
369.14575	6.5
370.11707	4.6
370.15607	12.4
371.12292	2.2
371.16278	4.9
372.13202	4.0
372.17114	14.7
373.18027	2.1
374.18549	3.0
380.13797	4.7
381.14447	1.5
382.11368	7.8
382.15543	3.3
383.12177	5.3
384.13239	25.9
384.17053	2.4
385.14032	10.3
386.14661	16.3
386.18799	4.0
386.90250	1.1
387.15546	6.9
388.16260	5.7
390.17953	4.0
392.19873	1.6
394.15155	1.9
395.16095	17.9
396.17059	4.6
397.14017	2.2
398.14923	45.2
399.15744	54.3
400.16528	69.5
401.16840	4.9
402.14362	3.5
402.18680	2.0
404.16071	1.6
410.14899	1.8
411.15512	7.7
412.16693	7.4
413.17120	22.3
414.14105	4.9
414.19061	7.0
415.14941	9.8
416.15732	14.1
417.16553	5.7
418.17685	7.7
422.15051	2.6
428.15839	1.8
429.16562	8.6
430.17661	8.4
431.18216	21.9
432.19180	5.2
440.16037	11.2
441.16711	5.3
442.17538	2.5
444.15369	1.3
446.16754	2.5
447.17749	6.5
448.18304	1.6
449.19189	4.2
456.14780	1.9
458.16949	12.4
459.17697	6.4
460.18500	6.1
465.18628	2.9
471.17548	1.2
472.18503	4.4
474.16675	1.3
481.16400	1.7
490.19678	3.8
495.17303	1.3
500.17419	5.3
501.18210	1.6
502.20074	2.0
516.21899	1.3
520.20624	2.0
521.21283	1.5
526.19818	3.2
530.19415	2.5
532.20715	2.7
534.22272	2.6
539.22552	3.3
540.21405	2.4
542.18591	1.3
550.21777	2.4
552.23077	2.1
553.24554	1.2
558.22162	4.8
560.20270	5.4
561.20477	3.1
562.22034	2.7
566.19061	3.8
576.22943	3.7
577.23627	1.4
579.21844	2.5
580.22339	2.6
581.24097	7.2
582.18323	1.3
584.20044	4.8
585.20782	2.0
586.22437	2.3
592.22308	1.9
599.24957	28.9
602.21393	25.6
603.22034	12.4
604.22314	5.1
618.21216	3.8
619.21667	3.0
620.22272	35.6
621.23041	18.2
622.23779	3.7
623.24426	1.4
631.27161	4.7
634.23810	3.6
636.22119	3.8
637.22797	2.4
638.23157	4.5
641.25867	10.0
652.25092	6.6
653.25659	3.4
670.26038	2.0
673.28357	1.7
679.27167	1.5
681.28674	7.1
681.65894	1.4
689.26019	4.2
699.30103	6.2
701.27631	3.2
707.27008	21.8
708.27649	1.3
717.31085	9.4
718.32385	1.6
725.28241	22.4
739.29480	2.5
743.29169	100.0
744.29730	6.0
757.30634	1.5
761.30176	68.6
762.29883	4.8
775.31549	9.1
793.32123	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	793.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	3.4
69.07068	7.0
69.61429	8.9
70.06583	1.2
73.08054	0.9
79.05498	2.3
79.97648	0.9
81.03416	6.3
81.07043	1.1
83.04942	1.2
84.08152	1.3
85.02900	3.5
88.89707	1.1
89.03920	1.4
91.05481	2.9
94.06550	9.4
95.04970	1.9
97.02882	2.6
97.06532	2.0
100.11254	2.2
105.07024	0.9
106.06559	2.1
108.04509	1.3
108.08114	7.7
109.02867	2.3
110.06069	1.6
112.07622	1.8
114.09187	1.6
116.04986	1.3
118.06542	1.5
119.04951	1.5
120.08101	2.7
121.05175	0.8
121.10220	0.9
122.06024	31.7
122.06917	1.6
124.07561	3.8
127.03901	2.6
130.08618	4.5
131.04945	1.4
134.06004	3.7
135.04472	1.0
136.07553	3.9
137.05984	2.1
140.07047	37.6
144.04474	4.2
145.02827	1.5
145.10187	1.3
146.05988	22.3
146.08014	1.5
147.04385	2.0
147.06822	1.6
148.07567	9.5
151.03851	1.0
152.07025	1.3
158.09695	1.4
160.07632	1.0
162.05496	4.9
163.03938	2.1
167.07018	2.0
172.03909	23.1
172.05327	1.6
172.07536	2.0
173.04657	2.5
174.05489	26.4
174.06960	1.4
176.07028	10.1
177.05484	2.3
182.09743	2.0
183.09161	1.4
184.09894	2.1
186.09171	1.5
187.11238	1.0
188.07045	1.7
190.05022	6.7
191.05699	2.4
192.06549	3.9
197.10788	4.1
198.09253	1.2
199.08690	1.6
199.12305	8.2
200.10800	1.9
204.06549	37.3
206.08119	11.8
209.10777	2.0
209.16458	1.3
210.09221	2.8
210.11504	1.2
210.14806	1.0
211.08583	6.4
211.12314	2.1
212.09236	5.2
213.10231	2.7
216.10155	1.7
223.08575	2.1
223.12317	1.2
224.09309	2.1
225.10194	14.0
226.11008	2.6
227.11769	59.4
228.06506	1.7
228.12292	1.1
235.08707	1.5
235.12303	1.2
237.10178	7.8
238.08910	1.1
238.10854	4.6
239.08101	1.1
239.11787	10.1
240.10384	1.1
240.12579	2.4
241.09621	1.6
241.13260	4.5
243.11281	2.7
244.09639	1.7
249.10204	6.5
250.10918	1.4
251.11798	8.9
252.12598	1.4
253.09673	6.0
253.13332	3.1
255.11150	2.4
257.12952	1.2
261.12415	3.2
262.10977	1.4
263.08258	4.8
263.11771	5.1
264.08975	2.5
264.12439	1.1
265.09702	13.1
265.13062	2.2
266.10336	2.7
267.11319	10.3
268.09589	1.5
269.12820	21.9
271.10773	9.9
275.11612	1.8
277.09708	6.3
278.10294	2.2
279.11191	11.7
279.13654	1.0
280.11981	2.1
281.12695	2.3
283.10712	4.3
283.14243	1.5
284.11346	1.3
285.12262	14.8
286.13290	2.3
287.13834	17.9
291.11191	3.2
292.11813	1.3
293.09232	2.0
293.12592	1.6
295.10834	3.8
297.12274	7.9
299.14011	3.1
300.11890	1.7
301.12131	3.8
301.15903	1.3
302.12909	2.3
305.09140	2.5
307.10843	2.1
309.12378	3.1
310.13388	1.4
311.13910	2.8
312.14969	2.9
313.11789	16.4
313.15286	1.4
314.12921	5.7
314.16333	1.1
315.13669	5.9
316.14380	8.7
318.16071	1.3
321.12131	1.8
323.14029	2.1
325.12061	2.7
326.13007	1.6
326.16608	2.1
327.14282	2.7
327.17676	1.5
328.11053	1.4
328.14459	7.5
329.11438	3.0
329.14978	22.5
330.12265	4.2
330.15991	9.9
331.12863	6.1
331.16791	9.9
332.17413	5.2
335.10245	1.2
337.11572	1.4
339.13693	5.2
340.10822	1.2
340.14734	2.2
340.18307	1.2
341.11853	1.8
341.15646	1.6
342.12442	12.5
342.16049	5.9
343.13022	8.6
344.13824	5.8
344.17590	12.0
345.14450	20.4
345.18158	1.3
346.15247	1.5
351.13608	1.8
352.14395	3.5
353.15350	1.8
354.12509	3.8
354.15900	3.6
355.13458	5.5
356.13892	11.9
356.17624	2.1
357.14816	8.9
358.15488	22.8
358.19775	1.3
359.15961	1.8
360.17023	4.0
367.12823	1.6
368.13895	2.9
368.17883	1.5
369.10651	1.9
369.14996	5.2
370.11710	3.5
370.15512	12.1
371.16431	5.0
372.13092	1.1
372.17111	13.5
373.18179	1.9
374.18698	1.8
377.15225	1.4
380.13785	2.2
381.14557	1.3
382.11325	7.5
382.15628	4.4
383.12527	7.3
384.13263	30.9
385.13934	7.4
385.18301	1.1
386.14734	14.5
386.18823	2.7
387.15393	2.2
388.16528	2.6
390.18164	3.3
392.19736	2.1
393.14383	1.6
394.15387	2.4
395.16043	16.3
396.16962	3.4
397.14075	3.3
398.14957	43.3
399.15738	50.5
400.16516	74.0
401.16913	4.1
402.18256	1.6
404.15878	1.1
411.15533	2.8
412.16553	6.6
413.17105	22.9
414.18277	9.1
415.15161	1.6
416.15976	3.8
417.16766	3.5
418.17575	7.0
422.15082	2.8
425.13797	1.3
428.19894	1.6
429.16629	2.2
430.17340	7.1
431.18103	23.9
432.19196	5.5
439.15082	2.0
440.16089	9.8
441.16702	4.8
442.17691	3.4
443.18045	1.2
447.18005	1.4
449.19159	5.3
456.19186	1.9
458.16904	8.3
459.18021	4.7
460.18588	6.9
463.14865	1.3
471.17862	1.8
472.18665	2.6
482.16910	1.6
490.19519	3.7
492.20801	1.1
500.17938	7.6
516.21051	1.2
518.19043	1.3
519.20013	1.2
520.20660	2.2
523.20740	1.3
526.19269	1.2
532.20856	2.5
534.22406	3.4
539.22552	2.1
540.21216	3.9
541.21838	1.5
544.20685	1.3
550.20947	1.2
552.23175	2.7
558.22107	4.4
560.20203	7.3
561.21088	3.4
562.21777	1.6
563.22235	1.2
566.19305	4.6
576.23340	4.7
577.24048	2.0
578.21942	1.2
579.22241	1.2
580.23126	1.7
581.23865	4.6
584.20325	6.5
585.21173	1.9
586.21625	1.4
599.25006	11.7
602.21295	24.7
603.22052	17.5
604.22937	5.9
615.27905	2.1
616.22571	1.4
617.23041	1.1
619.21759	1.4
620.22327	38.7
621.23187	22.2
622.23657	3.9
631.27081	2.9
634.23798	3.7
638.23315	3.0
641.25970	9.1
652.25037	9.6
653.25793	3.2
663.27795	1.8
670.26270	1.6
673.28320	2.5
675.30090	1.2
681.29059	6.4
689.25452	1.8
699.30328	6.8
701.27832	1.8
707.27106	13.3
717.30975	6.0
725.28143	19.0
743.29205	100.0
744.28943	3.4
761.30164	75.2
762.30701	2.4
775.31561	8.9
793.32568	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	793.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.7
67.05500	1.7
69.07068	8.8
70.96867	2.6
70.97214	1.7
79.05469	1.5
81.03392	4.9
81.07041	1.3
85.02877	1.6
86.99711	1.3
93.05708	1.7
94.06557	8.8
95.04936	2.2
108.08112	5.2
109.02860	2.0
110.06020	2.1
112.07592	3.2
118.06493	2.4
120.04404	1.6
120.08103	2.5
122.06007	38.9
123.04417	1.5
134.05980	4.2
136.06075	1.2
136.07573	2.0
137.05862	1.6
138.05489	1.9
140.07037	47.7
140.08142	2.6
144.04414	4.2
146.05983	21.7
147.06691	1.7
148.07542	7.2
152.07066	2.2
160.07547	1.5
162.05475	4.5
166.08691	1.4
172.03906	31.6
172.07553	3.3
173.04633	2.0
174.05473	32.2
176.07045	10.3
182.09540	1.8
186.09108	1.9
187.08794	1.6
190.04938	9.2
191.05733	3.0
192.06535	2.7
197.10701	4.4
199.08658	2.0
199.12318	5.9
200.10796	1.9
204.06534	47.8
206.08098	15.5
209.10762	2.5
209.94112	1.5
210.09140	3.9
211.08614	5.9
212.09241	2.9
213.10294	2.7
216.10162	1.8
223.08582	2.0
223.12155	1.6
224.09300	2.8
225.10184	16.0
226.08772	1.3
226.10973	4.8
227.11751	56.1
228.06429	1.7
228.08583	1.5
236.09383	2.6
237.10150	7.7
238.10944	5.2
239.11736	8.9
240.12460	2.2
241.09756	2.1
241.13254	2.5
244.09753	1.9
249.10220	4.2
250.11203	1.4
251.11700	7.2
252.12506	1.6
253.09659	7.7
253.13379	2.0
255.11302	3.3
261.09891	1.9
261.12296	3.6
263.08105	4.5
264.08813	3.2
265.09705	12.7
265.12375	2.0
266.10519	2.6
267.11200	8.1
269.12820	27.8
271.10666	12.0
277.09683	5.6
279.11212	5.0
283.10727	9.8
284.11411	7.2
285.12308	15.9
286.13272	2.2
287.13846	33.8
291.11282	2.0
295.10785	3.1
297.12341	8.7
298.13248	1.7
299.13922	4.6
300.12045	2.2
301.12210	3.8
301.15646	1.4
302.12802	2.0
311.13934	2.1
312.14850	1.9
313.11758	34.0
314.12900	5.7
314.16345	1.5
315.13745	4.7
316.14490	9.7
317.15228	1.7
318.15826	1.5
319.10608	1.6
323.10110	2.3
326.16437	3.2
327.13858	2.9
328.10834	1.6
328.14243	6.6
329.11670	2.6
329.15091	21.5
330.12228	5.0
330.15927	17.0
331.12854	8.2
331.16733	13.4
332.17447	4.8
337.34433	1.4
339.13831	3.3
340.14636	3.2
341.12305	3.1
342.12396	13.3
342.16025	4.4
343.13199	8.1
344.13733	4.6
344.17508	15.5
345.14359	30.2
345.17996	1.2
352.14368	2.1
354.12106	2.3
354.15887	4.3
355.13449	5.7
356.13834	14.7
356.17648	2.3
357.14642	9.0
358.15411	25.0
358.19354	2.3
359.16214	1.8
360.16882	1.6
363.15314	2.0
367.13000	2.4
368.13785	3.1
368.17856	2.3
369.10675	3.0
369.14856	3.1
370.11713	4.8
370.15482	11.7
371.16055	5.3
372.12762	1.8
372.17026	15.5
374.18674	2.9
377.15012	2.0
380.13931	3.7
381.14700	2.9
382.11493	10.4
382.15579	4.0
383.12476	8.9
384.13281	31.8
384.17163	2.1
385.13922	8.3
386.14612	14.3
386.18732	3.6
387.15387	2.4
388.16476	3.6
390.18198	6.2
391.18884	1.8
394.15576	2.2
395.16074	14.2
396.16937	3.6
397.14545	2.0
398.14911	50.3
399.15710	62.9
400.16486	91.6
401.16846	3.9
405.14487	1.8
412.16492	4.2
413.17090	18.5
414.18195	11.3
416.15814	4.5
417.16785	7.5
418.17526	10.5
422.14706	2.8
430.17685	6.8
431.18152	20.6
432.19135	6.4
439.14865	1.8
440.15903	13.4
441.16437	4.9
442.17862	2.7
444.15646	2.2
449.19150	7.9
458.17007	22.9
459.17743	12.9
460.18423	6.1
472.18466	2.2
490.19562	4.3
491.20825	1.8
492.20859	2.8
498.20221	2.1
500.18057	5.3
516.21265	2.0
526.19678	1.7
534.22052	3.8
539.22882	2.4
540.21240	2.9
543.19611	2.2
557.22766	1.7
558.22119	2.8
560.20154	5.3
561.20782	3.5
562.21619	3.5
566.19281	2.9
574.21869	2.7
576.23456	3.2
577.23694	2.2
578.21484	1.9
579.21613	3.7
580.21899	3.0
581.24023	3.4
584.20050	5.4
586.21179	1.5
599.24902	100.0
600.25146	4.8
602.21051	19.8
603.22119	13.2
604.22729	3.1
620.22272	26.0
621.23041	14.5
622.23230	3.5
631.27600	21.4
634.24280	2.0
641.25934	8.7
652.24939	4.0
653.25696	3.2
673.28046	2.1
681.28949	4.7
699.29456	4.4
707.26971	15.1
717.31097	9.5
725.28101	18.9
739.29242	1.6
743.29108	98.8
744.28839	5.6
757.29712	3.1
761.30109	81.5
762.29590	3.0
775.31934	14.7
793.32770	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	792.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05503	15.2
57.03149	0.7
57.03425	11.2
57.07061	2.8
61.02908	2.8
63.20751	0.5
65.03915	2.1
67.05494	64.7
68.05814	0.6
69.03406	1.3
69.07057	15.2
70.98045	1.5
71.04958	2.1
73.02896	0.7
79.05479	40.2
80.05797	0.7
81.03384	0.7
81.07041	59.9
83.04959	1.2
83.08139	0.8
83.08608	7.9
85.02878	3.3
85.06513	1.8
88.87187	0.5
91.03928	1.3
91.05463	23.2
93.07028	48.3
95.04956	4.2
95.08591	46.2
96.08908	0.8
97.02853	1.6
97.06506	2.8
97.10149	3.8
99.08102	1.0
105.04469	0.8
105.07015	18.8
107.08577	23.8
109.06498	1.7
109.10137	20.6
111.08021	1.4
117.07003	6.1
119.08564	16.4
121.09235	1.1
121.10122	22.1
121.26935	0.7
123.08034	1.9
123.11691	9.4
125.09550	0.6
129.06989	2.0
130.07672	0.8
131.08543	13.2
133.10112	13.6
135.11664	13.4
137.13217	2.1
143.08517	1.9
145.10100	8.3
147.11655	10.3
148.33606	0.6
149.13239	10.3
151.14841	0.7
157.10071	1.9
159.11667	8.4
161.13237	7.2
163.14780	4.9
165.12848	0.6
171.11655	2.3
173.13219	6.4
175.14830	3.2
177.16357	2.2
185.13200	2.3
187.14793	3.5
189.16428	0.8
199.14830	0.8
201.16357	2.3
203.17953	0.6
205.15750	0.7
215.18022	0.8
231.21147	0.7
241.19615	2.9
241.21597	0.6
243.21059	6.2
257.18930	0.8
259.20493	6.8
261.22095	20.2
262.22482	0.7
263.23624	1.7
273.21899	0.6
274.54404	0.6
277.21698	1.0
279.23373	0.8
287.23596	0.7
292.71741	0.6
299.23489	0.8
315.23047	0.9
317.24698	3.6
318.48129	0.6
333.24182	6.9
335.25745	100.0
336.26160	3.6
337.23526	0.7
337.27353	10.3
471.76660	0.7
521.43341	2.2
595.47192	15.2
595.56567	0.9
596.47333	1.4
613.48242	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	793.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
58.33103	0.9
67.05500	2.0
69.07050	6.5
70.06564	2.7
71.12305	1.3
71.12650	2.2
79.05512	1.7
81.03391	3.7
85.02888	2.6
94.06547	6.8
95.04963	2.0
100.11206	1.6
105.06947	1.2
106.06517	1.2
108.08095	4.4
109.02854	1.5
112.07598	2.0
116.04945	1.6
118.06495	1.5
120.08036	1.1
121.05157	1.6
122.06010	27.7
124.07639	1.0
127.03887	3.4
130.06430	1.2
134.05988	2.9
136.06117	1.4
136.07529	1.4
140.07034	33.8
144.04388	2.5
146.05983	15.8
148.07553	7.4
152.07088	1.1
152.67218	1.1
162.05498	3.6
172.03906	19.4
172.07541	2.0
173.04715	2.3
174.05484	22.7
176.07028	8.9
182.09639	2.8
182.15437	1.6
183.09103	1.4
184.09804	1.4
186.09087	1.3
190.04968	4.3
191.05649	2.0
192.06569	3.2
197.10713	2.9
199.08531	2.5
199.12216	6.7
204.06528	29.8
204.09476	1.1
206.08096	9.3
209.10646	2.2
210.09145	2.7
210.14764	1.2
211.08585	5.2
211.12253	1.5
212.09381	3.1
213.10452	1.7
215.11786	1.5
216.10214	1.0
223.08627	2.2
225.10173	13.7
226.08829	1.2
226.10951	4.7
227.11755	49.8
237.10194	6.5
238.10910	3.8
239.11673	8.5
240.12541	2.1
241.09677	1.6
241.13300	3.5
244.09555	1.4
249.10182	4.4
251.08322	1.0
251.11684	6.1
252.12520	1.7
253.09718	5.2
253.13191	1.6
255.11267	2.3
261.12439	3.1
263.08099	4.3
263.11841	2.1
264.08939	1.3
265.09659	9.3
265.13364	1.4
266.10388	2.3
267.11188	4.6
269.12805	18.6
271.10690	10.8
276.12616	1.2
277.09717	5.1
278.10553	1.8
279.11230	7.1
280.11893	1.2
281.09256	2.3
281.12573	2.6
283.10696	3.2
284.11255	1.2
285.12302	12.0
286.13135	2.1
287.11105	1.6
287.13919	14.2
289.13263	1.8
291.11276	1.9
293.12769	1.6
295.10709	3.6
297.12155	6.6
298.12982	1.5
299.13916	1.9
300.11758	1.9
301.12210	1.6
301.15637	1.2
305.09125	2.4
311.14145	1.7
313.11700	17.2
314.12640	5.7
315.13791	3.6
316.14557	8.3
317.15253	2.1
318.15762	1.3
323.13962	1.8
325.11917	2.0
327.13968	2.9
327.17517	1.7
328.11014	1.4
328.14438	5.1
329.11496	3.0
329.15012	16.0
330.12164	4.1
330.15845	9.4
331.12866	5.5
331.16739	9.6
332.17429	3.2
338.12888	1.5
339.13367	2.8
340.14514	2.2
341.12125	1.7
342.12335	10.3
342.15964	4.5
343.13095	7.5
343.16882	1.5
344.13754	3.9
344.17520	12.3
345.14349	20.8
345.18118	2.0
346.15280	1.4
353.15024	1.5
354.12250	2.0
354.15869	3.4
355.13315	5.4
356.13834	12.8
356.17618	2.5
357.14880	8.2
358.11276	1.2
358.15445	20.8
359.15918	2.2
360.17029	1.5
363.15173	1.3
366.16214	1.3
369.10706	1.9
369.14566	3.8
370.11578	3.0
370.15448	11.0
371.16275	2.6
372.13248	1.0
372.17087	12.2
373.17667	2.4
374.18787	2.0
380.13705	3.3
382.11368	7.9
382.15527	3.7
383.12491	5.9
384.13300	27.9
384.17761	1.4
385.13895	7.6
386.14413	9.7
386.18665	3.2
388.16504	3.0
390.18045	3.2
392.19595	2.3
395.15958	14.0
396.17358	2.6
397.14148	2.2
398.14920	40.9
399.15707	53.7
400.16489	69.0
401.17044	3.6
402.18198	1.9
410.14706	1.3
411.15823	1.2
412.16455	4.6
413.17017	19.7
414.18283	8.8
416.15201	1.5
416.20062	2.1
418.17346	5.6
422.14853	2.4
430.17484	4.2
431.12622	1.5
431.18152	21.7
432.19016	6.5
439.14771	2.0
440.15970	7.8
441.16595	4.0
442.17459	3.1
444.15375	1.2
449.19180	6.9
456.18942	1.5
458.16684	7.1
459.17618	3.8
460.18619	6.2
498.20160	2.0
500.17960	6.9
502.19128	1.7
514.19806	1.4
516.21106	3.1
519.19781	1.8
520.20465	2.2
526.19153	1.9
530.18970	1.3
532.20990	1.5
533.21558	1.5
534.22095	2.8
539.22540	2.1
540.20599	2.4
542.18097	1.5
552.23584	2.2
556.21063	1.6
558.21814	2.5
560.20416	6.3
561.20526	3.7
562.21741	2.5
566.19189	3.1
576.23315	4.9
577.23706	1.5
579.21832	1.5
580.22607	3.1
581.23578	3.4
584.20105	6.0
586.21252	1.2
599.24719	7.2
602.21252	21.2
603.21936	12.5
604.22424	3.8
615.28558	1.3
620.22333	28.5
621.23077	12.8
622.23383	3.7
634.23889	1.9
641.25958	8.2
652.24628	4.6
653.25232	2.6
673.28162	3.1
681.29156	7.2
689.25934	1.4
699.29468	4.9
701.28418	1.5
707.26880	14.8
717.31372	9.8
725.28027	19.5
739.30072	1.5
743.29114	100.0
744.29315	6.4
757.30493	2.1
761.30176	80.1
762.29993	4.0
775.31854	15.4
793.32813	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	792.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.8
55.05502	30.7
57.03424	22.7
57.07082	1.8
59.04989	3.0
61.02913	2.8
65.03928	3.9
66.98135	1.2
67.05492	67.0
69.03416	9.4
69.07053	34.7
69.52206	11.8
71.01340	1.8
71.04980	7.8
79.05477	57.8
79.19555	1.2
81.03403	99.7
81.07040	66.2
81.07529	2.8
83.04958	14.2
83.08604	34.7
85.02869	7.2
85.06504	3.4
86.09677	2.1
87.04445	1.5
91.05461	56.6
93.07029	58.4
95.04951	41.5
95.08585	34.7
97.02873	8.0
97.06512	15.0
97.10152	21.3
99.04443	1.5
99.08125	2.8
103.05452	1.7
105.04488	1.5
105.07008	47.3
107.04946	15.0
107.08572	43.6
107.09321	1.9
109.02834	2.1
109.06512	11.4
109.10143	18.3
111.04443	1.9
111.08058	13.7
112.07587	2.2
115.05453	3.1
117.06989	16.0
119.04876	2.2
119.08557	35.3
121.06491	9.2
121.10114	26.0
123.04403	3.0
123.07999	6.1
123.11674	4.6
125.00002	1.8
125.05959	1.9
125.09609	17.7
127.03889	2.3
129.05504	1.8
129.06989	16.6
131.04926	2.3
131.08540	28.9
133.06470	6.8
133.10097	27.9
135.08041	8.0
135.11668	11.6
137.05960	1.9
137.09578	4.5
139.11151	2.9
140.07047	1.8
141.06914	2.4
142.07761	3.6
143.08559	6.7
145.06450	3.8
145.10089	19.7
147.08017	5.7
147.11652	23.1
149.09576	16.8
149.13234	10.2
151.11183	3.1
152.04645	1.2
153.09059	3.9
155.08496	4.1
157.10117	19.1
159.08032	1.6
159.11671	16.6
161.09581	3.2
161.13210	3.5
163.11145	10.7
165.12816	2.7
169.10083	5.3
171.10226	1.7
171.11697	5.2
173.04456	2.1
173.09564	2.8
173.11781	2.5
173.13219	4.7
175.11180	12.5
177.12753	5.1
179.14287	2.7
181.10056	1.7
181.12059	1.3
183.07996	1.2
183.11697	5.3
184.07291	6.9
185.09485	1.3
185.13258	2.9
187.11095	1.6
187.14854	2.1
188.55231	1.3
189.09386	1.7
189.11171	11.0
189.12679	2.2
193.10342	1.2
193.12189	28.1
195.11755	1.3
195.13828	3.4
197.13196	3.5
199.11261	1.7
199.14806	2.6
201.12686	3.0
205.12186	1.2
205.19341	1.4
211.13190	2.7
213.12633	1.7
213.16440	1.4
217.15820	4.2
227.12701	22.6
227.14723	1.7
229.14284	5.0
229.19432	2.2
239.17807	3.1
245.13757	2.0
249.14761	2.8
253.14317	1.8
254.75591	1.4
255.15842	8.7
257.19043	6.8
267.15857	95.7
268.16196	1.7
269.17404	24.8
271.17044	1.2
273.14960	2.0
273.18430	2.7
275.20023	28.9
285.16824	5.0
291.19452	3.3
293.20877	3.5
299.20016	3.0
313.21408	1.8
317.20975	2.0
323.23508	1.6
331.22522	2.2
349.23724	26.9
351.23135	2.2
363.21426	1.4
367.25052	7.1
369.24237	5.4
373.23596	2.1
387.25162	3.1
419.23965	1.5
421.25693	8.1
429.26279	2.8
431.29517	1.5
433.29843	2.0
435.27191	3.5
437.25122	5.5
439.26776	1.9
443.27899	10.2
447.27347	29.0
449.30148	5.4
459.27136	4.4
461.28918	100.0
462.29224	2.9
465.28766	1.7
467.31470	3.5
477.28329	3.6
479.30011	16.5
483.37607	1.6
485.32065	1.6
501.32077	2.2
513.35400	2.2
523.34106	4.3
541.35168	73.3
542.35358	3.5
559.36249	39.8
569.31262	1.9
577.37231	7.2
587.32385	2.0
594.47192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.8
55.05503	46.4
57.03429	20.3
57.07058	2.9
59.04990	34.2
61.02911	3.8
65.03927	2.8
67.05493	100.0
68.05839	1.6
69.03409	5.8
69.07054	17.9
71.04978	15.1
71.08627	1.9
71.79734	2.3
73.02886	1.7
79.05482	55.5
81.03403	10.0
81.07041	68.2
82.07391	1.3
83.04961	8.2
83.08604	19.0
85.02884	7.5
85.06525	4.2
86.09697	1.5
87.04454	46.2
89.06010	1.7
91.03934	1.6
91.05464	30.0
93.07028	48.4
95.04950	9.5
95.08591	46.0
97.02875	3.5
97.06519	4.5
97.10147	22.6
99.04441	28.3
99.08044	1.2
105.07008	19.2
107.04947	3.3
107.08576	31.3
109.06486	4.3
109.10141	47.5
111.04415	3.9
111.08070	3.2
115.03947	2.8
115.05357	1.2
117.05564	1.4
117.07009	7.7
119.08559	16.6
121.06541	2.4
121.10126	18.6
122.08103	1.0
123.08020	2.2
123.11694	5.0
125.05996	1.2
125.09618	22.2
129.06998	2.1
131.08548	13.7
133.10107	12.9
135.08075	1.4
135.11664	13.5
137.09586	4.2
139.11163	1.6
143.08556	2.2
143.10669	2.3
145.06506	1.8
145.10066	9.3
147.11667	8.1
147.56445	1.0
149.09592	3.5
149.13193	5.2
151.11140	1.5
151.14841	1.4
155.08557	1.9
155.10699	1.7
157.10117	3.0
157.12213	1.9
159.11684	6.1
160.09555	1.1
161.13252	5.3
163.11179	7.0
163.14816	4.0
165.12749	1.3
169.10181	1.6
171.11696	2.0
173.09508	2.5
173.11717	14.5
173.13240	4.1
175.11186	1.4
175.14830	1.6
179.14229	1.3
181.12189	2.9
183.11734	1.4
184.07285	4.5
185.13162	1.5
187.14786	1.8
189.11183	2.4
189.12726	1.3
191.10640	3.0
192.61977	1.2
193.12233	2.3
199.13295	14.6
199.14984	1.2
205.12234	1.1
209.11673	2.0
211.13287	1.5
217.14244	2.0
223.13239	3.5
227.12762	10.9
229.14313	32.2
241.14340	8.4
243.20975	3.0
253.01031	1.2
259.20392	1.4
261.19025	1.5
261.22025	11.3
267.15881	8.7
275.20007	2.5
276.20377	1.9
283.15320	2.8
289.21527	2.3
311.22879	1.0
315.17987	14.2
315.23401	1.3
317.24817	1.6
327.23276	1.1
333.19055	2.2
333.23972	1.6
335.25751	61.0
336.26160	2.9
337.27438	2.6
349.23471	1.4
351.25287	1.6
363.25189	4.7
459.34674	3.0
477.35739	31.0
489.35709	28.1
529.38422	1.4
543.36676	5.3
547.40204	1.6
561.37543	2.9
575.39722	5.6
593.39972	3.8
610.45630	1.9
628.45331	1.4
791.43848	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	790.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
55.05502	33.6
56.08312	0.9
57.03428	21.2
57.07079	4.3
59.04992	36.7
60.46037	0.9
61.02915	4.7
65.03922	2.9
66.94714	0.7
67.05495	100.0
69.03428	6.6
69.07062	14.8
70.06559	1.4
71.04978	11.7
71.08607	2.4
73.02900	1.3
79.05482	41.2
81.03405	9.4
81.07043	59.5
82.07378	1.4
83.04962	6.6
83.08604	16.4
85.02885	7.1
85.06530	3.4
85.10151	1.6
86.09707	2.5
87.04455	52.6
89.05999	4.3
91.03969	1.5
91.05466	25.6
93.07031	41.0
94.07339	1.1
95.04948	9.4
95.07986	2.0
95.08592	38.7
96.08936	1.3
97.02871	5.5
97.06517	4.7
97.10154	18.5
98.21480	1.7
99.04441	16.7
99.08051	1.8
101.06000	1.0
105.03415	0.9
105.07012	19.9
106.07336	1.2
107.04948	3.1
107.08572	27.8
108.08923	1.2
109.06503	3.8
109.10139	61.4
111.04433	2.8
111.08078	4.4
115.03892	1.2
116.06274	1.0
117.06992	8.8
119.08567	19.4
120.08968	1.0
120.71407	0.9
121.06477	1.7
121.10129	19.8
122.10468	1.1
123.04434	1.1
123.08056	1.8
123.11727	5.5
124.99969	1.2
125.09600	13.7
127.03880	1.8
129.07005	1.9
131.08519	10.5
131.09305	1.1
133.08594	2.3
133.10112	11.7
135.08093	1.9
135.11665	12.8
137.09598	3.5
137.13336	1.2
139.11273	1.1
143.08551	2.1
143.10681	1.9
145.10094	9.8
147.08037	1.3
147.11671	8.4
149.09587	3.3
149.13252	7.7
151.11154	1.8
153.12822	1.1
155.08585	1.3
155.10612	2.0
157.10127	3.5
159.11659	7.0
161.13197	6.1
163.11186	5.2
163.14807	3.4
165.12738	1.4
165.45480	0.9
169.10124	1.7
171.11644	2.1
173.04436	1.8
173.09575	1.8
173.11728	17.9
173.13229	4.6
175.11179	1.1
175.14809	2.1
177.11194	1.7
177.12654	2.1
177.16373	1.3
181.12253	1.3
183.11708	1.7
184.07300	4.8
185.13289	1.0
187.14812	2.7
189.11081	1.2
191.10608	1.9
193.12231	3.5
197.13284	1.5
199.13240	10.7
199.14819	1.5
201.16342	1.9
202.21971	0.9
209.11618	1.6
217.14345	1.1
222.02913	0.8
227.12700	6.7
229.14314	50.0
241.14333	4.2
241.19376	1.1
243.21109	4.0
257.13864	3.6
259.15308	1.2
259.20483	2.3
261.22101	16.1
267.15878	9.0
268.16083	1.1
269.17841	0.9
275.20074	2.3
276.20395	1.5
277.21729	1.8
279.23193	0.9
283.15433	2.0
289.21353	1.8
315.17926	6.2
315.23303	1.2
317.24725	2.7
327.23358	1.4
333.19104	1.2
333.24240	1.4
335.25748	63.6
336.26038	3.8
337.27109	1.3
349.23743	1.5
350.23920	1.3
351.25357	1.7
363.25366	4.7
389.27142	0.9
407.85129	0.9
459.34766	1.6
477.35748	20.7
489.35696	60.1
490.36218	2.3
507.36194	1.4
517.35162	1.8
525.35132	1.5
527.37097	2.0
529.37976	1.4
533.38171	1.3
543.36627	3.3
546.38995	1.0
561.37543	1.2
575.39355	5.1
593.40485	2.3
610.45099	2.8
628.46771	1.2
684.00293	0.9
756.06427	1.1
790.51501	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	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.7
55.05505	24.0
57.03430	11.7
57.07056	2.8
59.04980	1.7
61.02925	1.2
63.54892	0.9
65.03919	2.6
67.05494	51.3
69.03408	4.0
69.07061	15.9
71.04981	11.9
73.02927	1.1
73.06518	1.2
79.05481	42.1
80.91036	0.9
81.03407	36.3
81.07043	52.6
83.04980	6.3
83.08101	1.0
83.08607	17.1
85.02889	3.1
85.06534	5.1
91.05469	44.6
93.07034	48.6
95.04956	20.8
95.08596	28.4
95.64513	1.0
97.02889	3.4
97.05974	1.4
97.06520	7.8
97.10150	10.9
98.20732	2.6
99.08073	3.0
103.05486	1.2
105.07015	45.6
107.04949	6.5
107.08580	27.0
109.06521	6.9
109.10139	14.7
111.04408	1.1
111.08064	5.7
115.05432	1.7
117.07004	18.6
118.53986	0.9
119.07718	1.6
119.08566	31.3
119.09403	2.1
121.06501	4.2
121.10131	21.7
123.08057	3.8
123.11709	6.4
125.09608	10.5
127.03940	1.2
128.06184	2.6
129.06985	12.7
131.08551	25.4
131.30211	1.0
133.06485	3.4
133.10112	27.3
135.08029	4.0
135.11688	11.9
137.09634	3.0
139.11137	1.7
141.06920	2.2
142.07782	2.2
143.08533	11.6
145.06448	2.0
145.10095	19.8
147.08017	4.3
147.11664	18.7
148.65492	1.0
149.09627	5.3
149.13226	7.5
151.11160	2.2
153.09048	1.1
153.12779	1.0
154.07797	1.5
155.08505	6.3
157.10110	15.8
157.16833	1.0
159.07971	1.7
159.11674	17.4
161.05984	1.0
161.09579	3.2
161.13210	7.8
163.11169	5.4
165.12607	1.1
167.08510	3.3
169.10068	6.3
171.11670	10.7
173.09607	1.9
173.11780	1.7
173.13203	9.2
175.11163	4.3
175.14819	2.9
177.12733	3.3
179.14304	1.6
181.10146	3.0
183.11674	4.8
183.13718	1.0
185.13246	8.4
187.11263	1.9
187.13219	1.8
187.14801	2.6
189.11203	5.2
189.12714	2.0
189.16325	0.9
193.10101	1.2
193.12231	6.4
195.11707	4.6
195.13605	1.0
197.13223	4.7
199.11206	1.5
199.14798	4.6
201.12662	1.7
201.16386	1.7
203.14395	1.5
207.11678	2.0
209.13290	2.2
211.14877	1.7
213.12865	1.3
213.16510	1.3
217.15829	1.4
221.13248	1.5
223.14812	2.5
225.16380	1.2
227.12735	8.0
229.14189	2.2
231.20972	1.5
233.15355	1.3
235.14767	1.0
235.16893	1.3
239.17883	1.1
241.19550	3.5
243.15868	1.3
247.16904	1.1
249.83878	0.9
257.19067	1.5
259.20575	12.2
263.17886	1.1
267.15869	14.9
269.17493	3.4
271.20795	1.1
273.18564	1.4
275.20023	5.9
283.20557	1.7
285.22015	1.0
291.19440	2.1
296.42935	1.1
297.22260	1.6
299.23630	5.6
301.20126	4.0
315.23169	1.2
319.02917	1.0
325.21310	1.6
329.20996	1.5
331.22580	1.0
333.24353	8.7
349.23691	4.2
353.24780	1.4
399.97443	1.0
403.24719	2.5
405.26120	1.1
407.24091	1.1
415.29834	3.5
417.26096	1.6
421.25702	8.8
423.27460	1.7
423.32773	1.2
433.30865	8.8
435.27380	5.4
437.28705	2.8
449.28882	3.0
451.32040	10.2
452.32437	0.9
463.30548	3.8
469.33087	3.9
475.30789	1.1
481.31818	1.0
489.32986	1.7
495.32947	2.7
499.34033	4.2
507.34457	3.9
515.37335	1.4
517.35223	9.4
525.35699	49.7
526.35736	2.1
531.36017	1.2
541.34650	1.2
543.36737	100.0
544.37067	3.3
557.38440	9.5
567.36542	1.5
575.39435	21.0
597.38116	0.9
609.37628	1.1
651.38757	1.1
669.39258	2.4
687.41180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.5
55.05503	19.9
57.03431	8.2
57.07059	1.7
58.06458	0.6
59.05006	1.5
60.80709	0.8
61.02912	3.6
61.71577	0.7
65.01939	0.8
65.03925	2.7
67.05495	77.7
68.05798	0.9
69.03423	6.5
69.07055	29.2
69.51775	7.8
71.01341	1.4
71.04983	32.4
73.02896	2.2
73.06551	0.8
77.03893	0.7
79.05482	41.1
80.08912	0.7
81.03410	9.4
81.07043	100.0
82.07378	1.0
83.04964	9.7
83.08603	17.6
85.02901	4.2
85.06534	10.4
87.04455	1.2
91.03943	1.3
91.05468	45.7
92.05816	1.3
93.07029	42.7
94.07357	1.2
95.01285	0.7
95.04959	9.9
95.08593	25.4
96.49050	0.7
97.02860	3.9
97.06509	13.2
97.10150	10.9
98.20676	1.3
99.04452	2.3
99.08074	2.8
101.02402	0.8
105.07018	31.3
107.04944	6.1
107.08573	32.5
109.02880	1.8
109.06502	7.4
109.10139	13.7
111.04408	1.3
111.08084	4.5
113.06040	1.2
113.09630	2.7
115.05384	0.9
117.07000	11.8
119.08562	16.6
121.06500	4.0
121.10126	13.8
123.08048	3.2
123.11691	14.6
125.09616	8.5
127.03891	3.6
128.06265	1.0
129.05455	1.2
129.06987	3.6
131.08548	15.9
131.09435	1.4
133.10107	29.8
134.10420	1.6
135.08072	3.8
135.11678	12.7
137.09573	2.1
139.11113	0.9
141.06993	1.1
142.07730	0.8
143.08507	3.7
145.04962	1.0
145.10081	8.8
147.08020	1.6
147.11656	9.1
149.09584	9.4
149.13217	11.6
151.11147	9.2
153.09061	1.4
155.08554	1.9
157.10152	3.2
159.07948	0.9
159.11690	12.5
161.09636	1.4
161.13268	3.5
163.11150	6.2
163.14841	0.8
169.10114	1.5
169.12285	1.8
171.11697	3.2
173.04462	2.4
173.09575	1.1
173.13242	2.6
175.11194	1.0
177.12715	6.0
179.14310	2.8
181.10056	1.0
181.12247	1.4
183.11688	2.0
183.13779	2.9
185.13219	1.8
187.11369	1.4
187.13287	5.9
189.11221	5.4
189.12686	1.2
191.14348	1.5
193.12193	1.2
195.13809	4.5
197.13281	1.9
199.14870	1.0
201.12820	1.3
201.14853	1.6
213.14734	1.2
225.14839	2.5
227.12756	15.1
227.14748	1.2
227.16440	0.8
229.14149	0.8
229.19499	1.2
230.15280	0.9
239.18022	1.5
243.15807	5.6
247.20656	1.8
251.16454	0.9
253.17992	1.1
255.15936	1.4
257.17084	1.6
257.19086	3.1
267.15875	4.2
268.16217	0.9
269.17447	12.9
275.20010	20.8
276.20508	1.8
292.19040	2.0
293.21216	0.9
301.16675	1.6
301.20010	22.7
301.23337	1.1
302.20407	0.7
331.22662	2.7
349.23694	20.2
365.23804	0.8
367.24811	2.0
391.23856	0.8
397.25751	2.0
419.27890	1.3
423.27231	6.7
423.32080	0.9
427.26816	4.8
437.28906	20.5
439.26990	1.2
445.29489	2.7
449.28909	18.7
451.30460	5.6
455.29846	1.8
463.30450	19.2
471.29269	1.1
477.32547	1.3
481.31482	5.0
487.30737	0.9
495.33145	33.7
496.33752	1.8
499.34338	5.1
517.35205	53.5
518.35553	2.2
525.35742	2.4
531.36829	5.7
535.36401	1.6
539.28015	1.0
541.35205	1.6
542.35809	2.0
543.36566	31.4
547.39850	1.0
549.37427	1.4
557.29761	1.4
561.37512	3.8
575.39319	25.0
576.38757	1.0
581.33081	1.7
593.40881	4.4
607.34698	4.4
615.33710	1.1
639.37164	2.3
687.40497	0.8
790.49933	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	790.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	19.2
55.05503	48.9
56.05826	1.2
57.03427	24.4
57.07063	3.4
59.04972	2.9
61.02633	0.9
61.02908	5.9
61.03176	1.1
65.03929	6.9
67.05492	100.0
69.03417	15.5
69.06675	2.5
69.07056	45.3
70.06576	1.1
71.01335	3.2
71.04975	11.0
71.78835	1.0
71.79237	1.1
73.02891	4.1
77.03920	1.1
79.05482	88.0
81.03407	75.9
81.07043	96.9
82.03737	1.6
82.04204	1.2
82.07356	1.9
83.04964	28.0
83.08607	34.5
85.02888	17.4
85.06516	7.2
91.03944	3.4
91.05466	78.7
92.05807	1.8
93.07027	74.4
95.04956	37.6
95.08591	50.4
95.09069	0.7
97.02873	16.8
97.06512	24.7
97.10150	21.8
99.04436	3.8
99.08063	4.3
103.05458	2.0
105.07012	68.4
106.07314	1.3
107.04943	26.6
107.08576	54.4
109.02866	3.3
109.06500	13.2
109.09386	2.2
109.10139	42.7
111.04439	7.5
111.08073	12.6
113.05999	2.5
113.09617	2.3
115.05424	4.2
116.04675	3.0
116.06181	1.6
117.06998	21.0
119.04907	1.5
119.08566	45.2
121.06482	10.1
121.10118	27.4
123.08041	11.0
123.11694	6.9
125.06006	2.4
125.09601	20.6
125.10471	1.4
127.03908	4.4
127.07492	2.1
128.06207	3.0
129.05502	9.0
129.06984	15.4
130.07747	1.9
131.04889	1.6
131.08540	32.4
132.08968	1.5
133.06520	8.1
133.10112	50.8
135.08058	11.4
135.11671	21.4
137.06021	1.4
137.09590	11.8
139.07542	1.5
139.11159	2.9
141.06834	2.3
142.07742	4.1
143.07004	2.1
143.08559	7.6
145.05008	1.1
145.06465	4.4
145.10103	28.5
147.08018	9.3
147.11650	23.9
149.09586	20.8
149.13248	6.3
151.11150	13.9
153.09055	2.1
153.12729	8.6
155.08525	3.5
155.10593	1.6
157.08582	4.0
157.10106	19.3
159.08057	2.7
159.11667	13.3
161.09628	5.0
161.13269	6.9
163.11165	26.5
165.09090	2.1
165.12715	2.2
169.10089	5.0
171.10278	2.1
171.11656	5.9
173.04471	1.4
173.09570	3.9
173.11707	5.8
173.13258	6.4
174.09952	1.3
175.11165	11.5
175.14833	1.8
177.12747	5.5
179.10626	2.1
179.14288	3.9
181.12210	6.4
183.11633	3.7
184.07310	1.7
185.13222	2.8
187.11136	2.0
187.14824	1.4
189.11203	12.2
189.12704	2.0
191.10643	7.3
193.10445	0.9
193.12218	27.3
195.11879	2.2
195.13823	4.3
197.13278	2.8
199.13289	4.1
201.12636	1.5
203.14317	1.3
205.12347	1.4
207.13849	1.2
209.11646	6.2
210.59433	1.0
211.13245	24.2
211.15114	1.9
212.13254	1.0
213.16354	1.6
215.12715	1.3
221.04422	1.0
223.13217	3.0
225.14903	1.1
227.12743	31.9
229.14272	10.7
229.19479	3.2
231.13562	1.2
233.15474	1.7
239.17998	1.8
245.13680	1.5
245.19052	1.3
247.20564	2.6
249.14871	2.7
253.14319	32.6
255.15929	3.9
257.19012	7.1
259.20590	2.8
263.20108	2.4
265.14359	4.2
267.15884	39.2
268.16260	2.1
269.17438	9.6
270.17551	1.2
273.18399	9.0
275.20016	32.4
276.20291	1.1
283.15378	11.9
285.16873	17.1
287.20013	3.1
291.19516	14.8
293.20999	3.2
299.14792	4.0
301.16461	18.5
303.52338	1.2
331.22589	2.1
332.23349	1.0
333.24243	1.8
347.22018	3.0
349.23700	31.3
365.23178	16.1
367.24860	1.2
381.22745	1.8
405.24966	1.4
409.25766	2.0
421.25708	2.9
423.27335	4.1
435.27383	1.5
439.26855	7.9
445.25482	6.3
447.27698	1.4
459.27365	1.5
461.29474	1.7
462.29056	1.9
463.26874	7.5
463.30731	1.4
465.29733	1.2
471.26718	1.4
477.28259	7.6
481.27362	1.9
493.27771	1.3
495.29263	7.4
503.33185	1.8
539.33740	8.2
541.34985	5.4
543.36108	1.5
557.34637	37.8
558.35175	3.1
559.36243	13.0
560.35742	1.3
575.35638	22.4
576.36407	1.2
577.36969	2.0
593.36676	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	790.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.8
55.05503	31.3
57.03429	17.2
57.07060	2.1
58.81163	1.1
59.05008	2.1
61.02917	3.6
65.03938	4.1
67.05494	66.7
68.05820	1.1
69.03417	10.0
69.07059	38.1
69.59057	7.6
71.01344	1.2
71.04979	8.4
73.02894	2.6
76.23885	0.8
79.05481	58.2
81.03407	60.9
81.07043	65.0
82.07373	1.3
83.04970	18.0
83.08614	22.2
84.78773	1.2
85.02875	7.1
85.06550	4.7
86.09695	2.3
91.03940	1.8
91.05467	53.5
93.03394	1.0
93.07031	52.8
94.07347	1.1
95.01318	1.0
95.04951	31.4
95.08591	26.0
96.08929	1.5
97.02878	13.4
97.06525	13.8
97.10151	18.0
97.85030	0.9
99.04449	3.3
99.08082	2.3
103.05453	2.3
105.04523	1.4
105.07014	39.3
105.07712	2.0
107.04947	21.0
107.08578	40.3
108.08993	1.2
109.02868	2.7
109.06504	10.1
109.10143	22.5
111.04414	9.4
111.08077	9.7
113.06010	1.7
115.04021	1.0
115.05462	3.0
115.07527	1.6
117.06239	1.9
117.07005	18.3
119.04909	2.6
119.08565	29.0
119.09401	1.9
120.08908	1.0
121.06483	10.6
121.10131	19.3
123.04438	3.0
123.08056	6.2
123.11681	3.4
125.09606	17.1
127.03910	2.1
127.07516	1.2
128.06200	1.9
129.05473	2.0
129.06996	11.9
129.07860	1.7
130.07785	1.3
131.04913	1.0
131.08556	25.0
133.06505	5.2
133.10107	27.7
134.10423	1.9
135.08018	8.3
135.11667	14.7
137.05998	2.0
137.09572	6.2
139.11162	1.5
141.06970	1.6
142.07780	2.9
143.08577	7.0
145.06458	3.1
145.10109	24.7
147.08031	7.3
147.11668	12.3
149.05928	1.3
149.09592	14.3
149.13290	5.2
151.11136	5.8
153.09074	1.5
153.12749	2.6
155.08553	4.0
157.10117	9.0
159.08086	2.8
159.11668	7.7
161.09610	4.1
161.13277	3.9
163.11188	17.8
165.09171	1.4
165.12679	2.4
169.10124	3.5
169.12245	1.2
171.10210	1.6
171.11652	4.1
173.09590	6.5
173.11861	2.2
173.13297	3.6
175.11163	7.8
177.12776	3.3
179.10616	1.9
179.14310	1.9
181.12262	3.2
183.11661	1.5
184.07339	4.4
185.13225	1.2
187.11089	1.2
189.11194	7.3
189.12648	1.1
191.10565	5.4
193.12219	13.8
195.11752	1.2
195.13828	1.7
201.12791	1.0
205.12241	2.2
209.11691	10.7
209.13275	1.2
211.13292	3.6
219.13826	2.3
223.13220	10.7
227.12744	22.5
229.14236	1.9
229.19606	1.2
239.18024	1.3
245.18961	1.4
249.14842	3.0
253.14299	8.6
255.15771	2.2
257.19003	3.6
261.18494	1.1
263.16431	1.1
265.14230	1.8
267.15869	54.0
268.16196	1.6
269.17441	9.9
273.18457	9.9
275.19980	15.6
276.20734	1.3
283.15366	39.9
285.16943	4.1
287.20062	1.5
291.19495	49.8
293.21152	1.5
299.14868	3.1
301.16592	5.6
309.20642	1.5
329.25150	1.1
331.22687	2.0
347.22098	3.2
349.23657	18.4
350.24081	1.1
365.23184	29.9
366.23837	1.2
367.24576	1.1
385.23907	1.4
389.23416	1.3
437.25497	2.7
439.26935	1.5
445.25763	5.5
453.24832	3.7
459.27243	7.5
463.26450	8.6
465.29498	2.3
477.28448	25.1
481.27682	2.0
483.31110	2.2
493.27386	1.6
495.29498	7.9
539.33539	10.4
557.34656	100.0
558.35132	4.9
575.35559	21.4
593.36743	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	789.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	31.5
55.05266	2.7
55.05505	40.8
57.03234	1.4
57.03437	15.3
57.07065	4.5
61.02922	12.5
65.03918	7.0
67.05495	99.2
67.89466	1.8
69.03418	11.7
69.07059	38.0
71.04980	8.6
71.08625	2.0
71.79845	1.9
73.02895	5.3
79.05482	90.5
81.03423	12.1
81.07043	100.0
82.74023	1.9
83.04971	11.9
83.08605	18.8
85.02901	14.8
85.06535	3.8
91.03938	5.8
91.04905	4.0
91.05463	63.3
91.06033	3.5
93.07032	84.9
95.04962	20.4
95.08593	58.4
95.33221	2.0
97.02863	12.4
97.05928	3.5
97.06516	41.4
97.10159	17.6
99.04407	1.9
99.08118	2.0
103.05440	2.2
105.04519	2.2
105.06310	3.7
105.07014	59.0
107.04932	19.3
107.08578	62.4
108.08952	2.1
109.02821	2.6
109.06512	7.9
109.10140	34.4
111.04386	2.1
111.08061	5.4
113.09607	1.9
114.09148	3.7
114.75053	1.9
115.05459	2.2
116.06227	1.9
117.07010	24.5
119.04880	1.9
119.08566	45.2
121.06498	5.0
121.10130	33.2
123.08065	6.5
123.11673	7.4
125.09612	17.7
127.03893	4.5
129.06992	7.9
131.08553	34.0
133.06447	3.7
133.10100	36.9
135.08038	7.5
135.11676	18.6
137.09583	5.6
139.07558	2.3
141.06967	4.1
142.07800	2.3
143.08505	9.7
145.06459	2.2
145.10097	33.1
147.11664	24.4
149.09590	27.7
149.13242	9.4
151.11176	3.6
153.09091	3.0
154.21506	1.7
155.08502	4.3
157.10124	8.0
159.07979	3.7
159.11662	24.7
160.09674	4.9
161.09706	3.6
161.13240	10.8
163.11168	9.2
163.14792	4.6
165.09085	4.0
169.10081	7.5
171.11661	6.7
173.09549	2.7
173.11914	2.5
173.13222	11.7
175.11169	4.5
175.14783	5.1
177.12759	3.4
179.14297	3.9
183.11710	5.6
184.07335	4.6
185.13263	7.2
187.11154	3.1
187.14871	3.7
189.11197	12.6
195.11710	2.0
195.13824	1.9
197.13182	4.2
199.14781	2.4
201.16309	3.0
205.12274	2.1
211.14749	2.7
213.16438	2.2
215.17879	2.2
227.12733	31.3
227.16197	2.1
229.14365	5.3
229.19389	4.2
237.16406	2.5
239.17865	3.9
241.55402	1.7
243.15865	2.7
243.21175	3.2
244.25674	1.9
247.20528	2.9
257.18881	12.6
258.08948	2.6
259.20596	5.6
261.22162	9.2
275.20035	75.3
275.33582	1.9
276.20270	2.2
277.21640	2.3
293.21066	7.8
299.20081	2.1
301.21317	2.5
321.79810	1.9
331.22424	4.0
333.24316	2.4
335.25769	93.4
336.26291	2.4
337.27341	2.6
345.24179	2.5
349.23682	56.1
351.25714	2.1
353.26535	2.1
367.29953	2.7
389.18323	2.1
431.31577	6.0
489.35593	3.3
505.35519	11.1
513.39423	10.2
515.37268	4.1
529.38562	3.3
591.45325	2.2
609.45032	85.1
610.45227	5.8
627.46094	31.4
714.90656	2.4
771.51337	2.8
789.51202	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	789.332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.2
61.69274	1.0
67.05477	2.5
69.03402	2.9
70.39525	4.5
71.04970	2.6
73.02899	1.1
73.91245	1.2
79.05463	2.7
80.05007	1.4
81.03404	6.1
81.07021	2.9
85.02875	3.9
91.05460	3.7
93.05771	2.4
93.07009	4.4
94.06532	9.7
95.04949	3.1
95.07310	4.2
95.08607	2.1
96.08111	6.9
97.02912	2.6
105.07011	2.5
106.06512	3.3
107.07326	1.5
107.08596	1.7
108.04488	1.3
108.08096	22.9
109.02848	3.0
110.09650	8.8
114.09175	1.4
119.04925	1.3
119.08595	1.4
120.04429	3.2
120.08076	14.6
121.10056	1.4
122.06008	17.1
122.09648	10.1
124.07552	4.8
127.03924	1.9
132.08107	2.4
133.10051	1.3
134.05992	2.7
134.09644	2.2
136.06544	2.3
136.07545	29.5
137.05893	1.7
138.05455	2.1
138.09125	20.9
144.04405	2.5
146.05988	6.3
146.09631	1.8
147.04413	2.6
148.07544	13.6
150.09082	9.1
152.07054	11.8
158.06006	1.2
159.11684	1.7
160.03848	2.0
160.07576	2.5
162.05472	3.4
162.09076	1.3
164.06984	4.6
166.08614	18.5
167.06990	2.2
172.03912	8.2
174.05464	3.9
174.09114	2.0
176.07024	2.4
177.05406	2.8
180.10089	1.3
182.09627	1.6
184.09834	1.8
186.05484	1.5
190.04961	8.2
192.10060	1.1
197.10643	2.5
198.09048	1.1
198.11354	2.8
204.06506	8.2
207.06363	2.0
208.09628	1.8
209.10635	1.7
210.11444	2.6
211.08835	1.3
211.12263	7.3
212.07133	1.4
212.13083	1.9
213.10138	2.3
213.13799	1.6
220.09656	1.5
223.08611	1.9
223.12259	5.9
225.10173	10.2
225.13815	3.5
226.10918	6.3
227.11778	9.2
234.11479	1.3
235.08614	2.2
235.12267	3.6
236.09409	1.6
237.10216	11.2
237.13748	2.7
238.10951	8.2
239.11731	24.7
240.12454	5.7
241.09628	1.4
241.13263	3.4
248.09387	2.3
249.10150	9.6
250.10901	7.2
251.08029	2.0
251.08913	2.0
251.11739	29.1
252.08841	1.7
252.12440	9.9
253.09708	3.7
253.13293	14.6
254.13878	1.5
255.11278	7.9
261.10251	2.1
262.11005	2.6
263.11703	21.4
264.09036	2.3
264.12369	4.6
265.09753	11.9
265.13156	10.9
266.10532	8.8
266.13992	6.1
267.11270	21.6
267.14389	2.1
268.11908	1.5
269.12692	3.2
271.10571	2.1
271.14276	1.5
273.11996	2.8
275.11749	1.8
276.12527	2.7
277.09634	6.2
277.13177	3.7
278.10425	7.5
279.11237	38.8
280.11868	6.2
281.12784	14.8
283.10791	2.8
283.14120	1.4
284.11462	2.2
285.12289	18.9
289.09720	1.3
291.11237	17.4
292.11789	3.2
293.09464	2.5
293.12784	10.2
294.13361	1.4
295.10669	4.5
295.13971	1.6
296.11353	3.5
297.12280	24.1
298.12817	3.7
299.13916	11.3
305.12579	1.5
307.10678	6.1
309.12347	8.1
310.12833	4.9
311.10544	1.1
311.13834	30.1
312.10928	1.6
312.14487	1.8
313.15421	2.4
319.10626	12.9
319.13910	1.8
321.12320	8.0
322.13135	2.4
323.10165	6.3
323.13797	3.5
325.11710	6.9
327.13184	5.1
328.14261	2.4
329.15189	2.0
330.15955	3.5
333.11945	1.9
337.11829	5.9
338.12347	1.4
339.13452	8.4
340.14017	3.5
341.15140	2.0
342.16000	1.6
344.17453	3.5
351.13232	2.3
353.15161	3.1
355.12662	3.0
356.17651	1.4
357.14487	4.6
358.15277	3.1
363.13266	2.5
365.14920	2.3
367.12698	2.1
368.13754	1.5
369.14453	4.2
370.15408	2.1
371.15976	2.0
372.16861	4.0
374.18411	1.9
379.12802	3.5
381.14493	3.0
382.15009	1.4
383.15845	4.8
384.17032	2.5
385.13483	1.8
386.18686	3.5
388.16272	2.6
393.14252	4.7
397.13571	2.5
399.15302	4.3
400.16205	6.6
402.17859	2.6
404.19650	3.2
407.15741	1.9
409.13757	1.5
411.15448	9.4
412.16312	4.6
413.17255	1.8
414.18143	2.2
418.21008	4.7
423.15182	3.9
424.16440	2.3
425.17346	1.6
427.14706	1.9
429.16400	10.2
430.17218	6.1
431.18158	2.4
432.18945	3.2
435.15359	3.1
437.16809	1.7
439.14990	5.0
441.16437	8.6
442.17065	2.5
443.18204	1.6
444.19269	1.8
446.20633	4.2
448.18280	1.7
450.20023	2.3
451.14740	1.7
453.16541	6.6
455.18375	1.9
457.15967	2.5
459.17401	4.7
460.18155	1.9
463.14862	4.0
467.14435	1.6
469.15753	3.8
471.17462	15.6
472.18103	2.6
481.15918	12.3
483.17068	1.7
490.19495	2.6
499.17056	2.9
502.19412	2.2
506.22925	1.7
518.22583	1.3
530.22406	1.3
538.57281	1.3
546.22485	2.0
548.23926	2.2
552.22418	1.2
556.20581	3.1
558.22003	1.8
562.21753	3.4
566.24609	4.4
568.20203	1.3
574.21417	5.1
577.24628	1.6
578.24744	2.3
580.22571	3.7
586.21692	2.2
588.23462	3.1
590.24652	3.5
591.22455	1.4
592.22931	6.5
593.23505	33.5
594.24304	28.5
595.24841	3.2
598.21381	1.3
604.22656	3.9
606.24426	29.2
607.24457	3.1
616.22449	4.1
618.24408	8.1
620.22516	19.7
621.22925	16.3
622.23773	10.6
634.23810	71.4
635.24500	13.7
636.25519	5.7
652.25354	5.3
655.27252	1.2
666.26416	58.2
667.26923	14.3
668.27393	2.3
675.28064	1.8
711.30005	3.6
715.29425	1.8
721.28650	6.7
729.30304	4.1
739.29578	17.4
740.29144	2.1
757.30621	100.0
758.30914	7.6
789.33325	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	788.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.8
55.05260	1.2
55.05501	16.9
57.03430	8.2
57.07056	1.8
59.04974	1.3
61.02907	3.0
65.03917	2.4
67.05491	72.0
67.44017	0.7
69.03416	6.7
69.07053	16.3
71.01334	1.0
71.04977	36.6
73.02893	1.1
79.05009	1.2
79.05478	35.6
81.03405	9.2
81.07040	100.0
83.04964	11.1
83.08607	9.0
85.02886	2.9
85.06530	10.5
86.09675	1.2
87.04446	1.2
91.05463	58.1
93.07026	39.8
95.04952	11.1
95.08588	22.9
97.02876	2.9
97.06516	9.5
97.10194	1.9
98.20649	1.9
99.04449	1.8
99.08080	1.5
101.05984	1.0
103.05458	1.1
105.04485	1.5
105.07011	42.9
106.07346	1.1
107.04939	6.5
107.08574	38.2
108.08873	0.9
109.02853	1.3
109.06495	8.8
109.10136	45.9
110.10516	1.4
111.04436	2.1
111.08053	5.4
113.06001	2.4
115.05413	1.3
115.07558	0.9
117.07004	8.8
119.08563	11.6
121.06475	6.5
121.10122	10.8
121.48595	0.7
123.04418	1.2
123.08042	3.7
123.11681	17.1
124.12070	0.9
125.06003	0.9
125.09615	1.8
127.03902	0.7
127.07552	1.8
128.06168	0.9
129.07011	3.4
131.08548	13.9
133.06491	3.5
133.10103	68.8
134.10458	1.2
135.08023	5.2
135.11661	7.5
136.65736	0.7
137.09605	1.7
139.07541	1.3
139.11200	0.8
142.07721	0.8
143.08565	3.4
145.06462	1.2
145.10129	7.2
147.08054	3.8
147.11664	4.7
147.71768	0.7
149.09589	5.6
149.13220	5.6
151.11156	34.6
155.08507	1.0
156.37138	0.7
157.10133	2.8
159.08041	2.2
159.11661	7.3
160.09732	0.7
161.09595	6.7
161.13284	2.2
163.07553	0.8
163.11182	1.4
169.10117	1.4
169.12163	4.1
171.11662	3.6
173.09584	1.3
173.13297	1.6
175.11189	3.1
177.09120	1.4
177.12762	2.7
179.10678	2.0
179.14261	0.9
183.13814	2.3
184.07320	2.9
185.13206	1.4
187.11263	0.9
187.13274	3.6
189.12779	2.0
193.12299	0.8
195.13802	1.9
215.12819	1.5
215.86400	0.7
225.14665	3.6
230.15413	1.8
243.15939	2.0
245.19029	2.7
251.12862	2.6
253.14299	83.9
254.14699	1.8
255.17415	1.3
257.17548	3.3
263.20200	1.9
267.16003	2.4
269.17422	6.4
271.15393	1.5
273.18445	15.6
291.19461	15.4
291.37894	0.8
292.19101	3.9
301.20044	24.1
309.20502	1.0
329.20956	1.0
335.25861	2.4
347.22034	5.7
365.23178	20.0
366.23315	0.9
421.25772	6.7
435.27509	1.1
447.27509	1.5
451.27063	2.2
453.28406	30.9
454.28531	1.2
465.28629	4.7
479.30154	2.2
495.29175	0.8
497.31070	7.7
515.33508	13.3
516.33032	0.8
529.35608	1.2
533.34668	62.3
534.35144	2.4
541.34991	7.7
542.36157	1.0
547.36218	11.9
559.36206	32.5
560.36530	1.7
573.37677	3.6
591.38837	48.0
592.38959	2.1
788.49335	4.9
789.49780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.0
55.05502	26.1
57.03428	7.4
57.07062	1.8
59.04986	2.0
61.02918	2.8
65.03938	2.4
67.05492	70.5
69.03417	10.6
69.07056	34.7
70.49720	1.8
71.04980	29.6
73.02909	1.2
73.06543	0.8
79.05004	1.0
79.05481	34.6
81.03407	8.5
81.07041	92.0
82.07386	1.2
83.04974	7.4
83.08601	14.9
85.02886	3.0
85.06525	7.0
86.09700	0.6
91.05463	36.9
93.07024	30.6
95.01326	0.6
95.04951	9.6
95.08592	17.5
95.09183	1.2
97.02878	13.7
97.06513	6.6
97.10147	13.3
99.04459	1.2
99.08100	1.6
101.22458	0.5
105.04515	0.7
105.07010	22.4
107.04922	6.9
107.08573	23.0
109.02856	1.0
109.06507	5.0
109.10141	15.8
109.10859	1.1
111.04443	1.8
111.08064	4.7
114.09168	1.4
115.05501	1.2
117.06998	10.2
118.06514	0.9
119.04937	1.4
119.08556	15.5
119.09384	1.0
121.06492	4.1
121.10125	10.5
121.63860	0.5
123.04429	0.7
123.08063	4.7
123.11678	11.5
123.12503	1.0
124.99991	0.7
125.09609	11.1
127.03912	1.1
127.07572	0.6
129.06969	4.1
130.07849	0.7
131.08545	11.6
132.05652	0.5
132.08943	0.7
133.06482	2.7
133.10110	20.8
135.08022	4.7
135.11670	5.0
137.09616	2.4
139.11205	0.7
142.07805	1.0
143.08542	3.8
145.06483	1.3
145.10091	6.8
147.08000	5.0
147.11661	3.9
149.09613	3.1
149.13254	7.8
151.11150	7.6
153.09128	1.5
153.12755	0.6
155.08539	1.0
157.10150	3.4
159.08051	0.7
159.11665	7.0
160.09711	3.9
160.11963	0.7
161.09538	2.8
161.13271	1.3
162.09113	0.8
162.10382	0.8
163.11159	2.7
165.09114	1.9
165.12688	0.7
167.08508	0.6
167.14409	0.6
169.10071	1.0
169.12250	1.9
171.10310	0.6
171.11694	1.9
173.04471	0.7
173.11804	0.6
173.13226	1.3
175.11075	2.4
177.12723	4.0
179.10684	0.7
183.11768	0.5
183.13799	3.0
184.07309	2.6
185.09694	0.6
185.13130	1.0
187.11317	1.0
187.13283	3.7
187.14746	0.7
189.11208	3.4
189.12694	0.8
193.12244	1.2
195.12051	0.7
195.13741	3.4
201.14851	1.3
202.65143	0.5
205.12292	1.8
211.13194	0.6
213.14857	0.7
223.13249	22.8
225.14778	4.3
227.12750	5.4
230.15445	1.9
243.15874	1.2
245.19026	1.5
249.14813	2.6
251.16394	1.0
253.14304	1.3
255.17412	0.7
257.17413	3.7
267.15976	1.7
269.17401	9.9
273.18451	12.9
274.72162	0.6
274.87927	0.6
275.20108	1.3
276.20380	0.6
291.19495	89.7
292.19370	5.1
301.16589	1.2
301.20062	24.0
309.20676	1.1
347.22101	1.9
365.23160	22.0
365.27771	1.1
421.25989	1.1
427.26828	1.6
435.27740	0.8
439.26834	0.8
461.28839	1.7
511.32397	1.5
515.33716	4.4
523.33478	0.6
529.35455	0.7
533.34662	100.0
534.34949	3.9
541.34985	4.1
547.36267	16.2
548.35803	0.8
559.36200	68.4
560.36261	3.2
573.37927	1.3
577.37164	1.0
591.38818	35.1
592.39069	1.8
626.44476	1.7
703.40405	0.6
788.49078	4.8
789.38623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.4
55.05501	35.8
57.03149	1.1
57.03424	18.2
57.07060	2.3
59.04976	2.3
61.02900	2.1
63.42059	0.9
65.03925	2.9
67.05492	66.3
68.05843	1.2
69.03418	12.3
69.07053	34.5
71.01336	1.3
71.04968	7.2
71.08599	1.2
71.79780	1.6
72.05732	1.1
73.02879	1.5
77.03902	1.0
79.05477	59.8
80.97649	0.9
81.03403	88.5
81.07041	68.9
82.07367	1.7
83.04961	13.0
83.08606	35.7
85.02877	5.3
85.06517	4.7
91.03909	1.3
91.05464	55.5
93.07027	53.6
95.01281	1.3
95.04951	38.7
95.08592	32.8
97.02871	7.8
97.06510	14.3
97.10151	29.4
99.04434	1.8
99.08070	3.9
103.05465	1.3
103.34517	1.1
105.07009	46.3
107.04936	18.7
107.08572	48.5
109.02838	1.7
109.06493	9.2
109.10137	20.8
111.04445	4.8
111.08064	13.2
113.05978	1.5
113.09560	1.5
115.05460	4.0
116.06221	1.6
117.06997	18.3
119.04971	1.2
119.08557	31.5
121.06487	9.2
121.10120	21.6
123.04398	2.0
123.08047	7.8
123.11685	7.9
125.05959	1.3
125.09604	26.1
127.03892	2.4
128.06206	3.5
129.06979	16.3
131.08542	28.6
133.06473	7.0
133.10101	27.6
135.08034	10.4
135.11674	14.8
137.09602	6.1
137.10490	1.1
141.06967	2.9
142.07756	3.0
143.08533	8.1
143.10672	1.5
145.06439	5.6
145.10100	23.2
147.08020	8.9
147.11656	23.8
149.09593	20.3
149.13232	6.5
151.07538	1.2
151.11139	3.3
153.09067	2.8
153.12775	1.2
155.08502	5.2
157.10089	16.5
159.08031	3.1
159.11662	13.6
161.09613	3.5
161.13263	5.2
163.11160	14.5
165.09097	2.0
165.12727	3.5
167.08510	1.9
169.10089	5.2
171.07968	1.4
171.10127	2.9
171.11670	5.9
173.04523	1.6
173.09631	6.2
173.11833	2.3
173.13147	5.5
175.11160	12.8
175.14905	1.4
177.12700	4.4
179.14323	2.3
181.10085	2.0
181.12167	2.2
183.11668	4.6
184.07283	1.6
185.13214	3.8
187.11157	3.0
187.14821	1.2
189.11183	14.2
189.12683	1.9
191.10608	2.1
191.14241	1.0
193.10396	0.8
193.12204	26.7
195.11774	1.1
195.13750	2.4
197.13271	3.8
199.11113	1.8
199.14798	2.3
201.12738	1.2
203.14339	1.4
205.12259	2.8
207.11801	1.4
207.13757	1.7
209.11702	3.4
209.13420	1.6
211.13231	3.1
213.12695	2.1
213.16531	1.1
217.15842	2.0
219.13670	2.0
221.15404	1.1
223.13185	3.4
225.14716	1.8
227.12712	28.6
227.14722	2.2
228.13138	1.2
229.14423	2.7
229.19453	1.4
231.13898	2.4
235.13162	1.6
235.16840	1.3
243.15826	1.7
245.13728	2.3
247.16858	1.3
247.20563	2.1
249.14832	3.7
253.14240	3.9
255.15781	8.5
257.19110	4.8
265.14334	11.8
267.15869	80.2
268.16336	1.2
269.17407	16.0
270.17798	1.2
273.14899	2.1
273.18460	6.1
275.20020	30.5
283.15289	6.3
285.16943	1.3
290.34164	1.3
291.19482	14.8
293.21078	3.2
297.22098	2.1
299.14926	1.8
299.19931	3.2
301.16794	6.1
313.21585	1.4
315.23273	1.9
317.21088	2.7
331.22449	2.3
347.22229	1.9
349.23694	30.4
355.22559	2.3
359.17865	1.0
365.23328	7.3
367.24493	3.4
369.24088	1.5
373.23386	2.3
387.24747	1.5
403.24722	1.7
419.24274	3.2
421.25818	5.2
429.26089	1.9
431.29382	2.2
435.27383	1.6
437.25027	6.4
443.27969	6.8
445.29532	2.2
447.27344	28.1
448.27621	1.5
449.30371	5.3
459.27252	4.1
461.28922	59.8
462.29221	3.6
467.25153	1.3
467.31418	5.3
467.37933	1.1
477.28482	4.7
485.32187	3.2
489.27942	1.7
493.32214	7.3
501.31851	1.8
513.35834	1.7
523.34027	5.4
541.35162	100.0
542.35565	6.9
555.32977	3.2
559.36206	49.1
573.33789	9.7
574.33649	1.5
583.36072	1.8
591.34857	10.8
592.35663	1.5
667.38483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	4.2
55.05442	7.3
55.05742	0.8
57.03365	4.4
57.07013	0.4
59.04949	0.6
61.02873	0.9
65.03861	1.1
67.05426	14.7
67.05824	1.1
69.03419	1.9
69.06989	11.4
70.06324	1.3
71.01289	0.4
71.04914	2.1
71.07310	0.3
73.02835	0.9
76.17574	0.3
79.05481	13.2
81.03409	24.9
81.07044	22.2
81.07473	1.1
83.04966	3.9
83.08607	8.2
85.02875	1.5
85.06453	1.1
86.09614	1.9
87.04404	0.4
91.03892	0.6
91.05467	21.2
92.04909	1.1
92.05725	0.4
93.07031	14.8
93.07567	0.6
94.06507	0.4
94.07324	0.4
95.01324	3.1
95.04955	10.0
95.08592	11.7
95.50044	0.3
97.02869	1.8
97.06516	8.4
97.07099	0.3
97.10131	2.1
98.98450	0.4
99.04374	0.7
102.18439	0.4
103.05387	0.6
104.77177	0.3
105.07014	28.3
106.07280	0.5
107.04945	6.8
107.08581	7.5
109.02792	0.5
109.06492	3.4
109.10135	3.7
111.04351	1.0
111.08078	2.5
115.05391	0.6
116.06116	0.3
116.45344	0.3
117.05676	0.4
117.07008	5.5
118.06534	3.9
119.04843	0.5
119.08562	16.4
120.07992	0.8
121.06499	2.2
121.10132	5.3
123.04324	1.4
123.08033	1.9
123.11583	1.0
124.99912	1.0
125.09631	1.6
127.03910	0.3
128.06152	0.5
128.10248	0.3
129.06999	4.1
131.08548	10.3
133.06448	1.6
133.10112	16.5
134.10483	0.4
135.08028	2.1
135.11670	3.1
137.09579	2.0
139.07458	0.6
141.06857	0.5
142.07697	1.0
143.08534	1.7
145.06371	1.1
145.10095	6.7
147.07953	1.4
147.11670	8.5
149.09589	4.1
149.13251	1.6
151.11076	1.3
153.12527	0.4
155.08446	1.0
157.09016	0.3
157.10094	3.5
159.11652	4.7
161.09485	0.6
161.13234	2.5
162.09109	4.5
163.09813	1.2
163.11102	2.3
163.14749	0.5
165.09006	0.6
165.12651	1.1
169.10023	1.1
171.11656	1.5
173.13251	1.6
175.11169	3.5
175.14734	0.5
176.10571	0.6
177.12636	1.3
179.14294	4.3
181.10016	0.5
181.12299	0.4
183.11552	1.3
184.07335	6.5
185.13173	0.7
187.11060	1.4
187.14706	0.7
193.10541	0.4
193.12209	4.9
195.11633	0.4
195.13702	0.4
197.13168	1.2
199.11172	0.3
202.15787	0.8
205.12050	0.9
209.11555	0.5
211.13193	0.7
215.17673	0.3
219.17323	1.2
223.13242	0.6
227.12706	0.4
229.19347	0.5
230.15353	7.0
247.20526	0.7
248.16203	0.3
249.14751	0.7
253.14230	0.9
257.19031	1.5
262.18124	0.4
267.15881	31.0
268.16113	0.9
269.17361	0.7
274.18118	0.3
275.20029	19.1
276.20374	0.5
279.15778	0.5
283.15457	0.4
291.19360	0.8
292.19034	20.7
293.20914	1.3
311.59369	0.4
348.22061	0.6
349.23676	17.1
350.23880	0.7
367.24362	0.5
447.27435	0.7
461.29318	0.4
510.26886	1.6
514.36108	0.4
525.35999	0.4
533.34637	0.9
541.35193	100.0
542.35547	4.3
559.36316	3.5
573.36017	0.5
583.35956	1.2
591.38586	0.6
608.43561	0.6
626.44440	2.2
649.37195	0.6
788.49323	21.3
789.50043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.0
55.05504	32.6
57.03434	12.0
57.07052	3.9
59.04980	2.1
61.02641	1.3
61.02915	14.9
65.03932	4.7
65.29132	0.9
67.05496	69.5
69.03419	13.5
69.07059	27.9
69.44434	0.8
70.06580	1.4
71.01017	2.2
71.01364	1.2
71.04988	7.5
71.08608	1.1
73.02901	5.1
73.06542	1.0
79.05482	48.6
80.05820	1.4
81.03411	22.7
81.03876	2.2
81.07045	66.0
83.04972	7.9
83.08146	1.5
83.08610	17.0
85.02896	16.7
85.06525	3.9
91.03954	7.1
91.04436	1.0
91.05467	46.5
93.07034	52.7
95.01303	1.4
95.04954	14.0
95.08598	45.2
97.02879	15.8
97.06516	16.2
97.10157	13.6
99.04454	2.8
99.08064	4.0
101.02344	1.3
103.03950	1.4
103.05431	2.8
105.07015	51.0
106.07340	1.1
107.04939	7.3
107.08578	40.4
109.02838	3.8
109.06488	6.6
109.10144	24.3
111.04443	1.5
111.08066	6.1
111.11687	1.0
113.09636	1.2
115.03921	1.4
115.05440	2.7
115.60706	0.9
116.06220	1.2
117.07005	25.2
119.08569	38.6
121.06469	3.5
121.10127	19.9
123.08054	4.3
123.11716	8.2
125.09627	8.8
127.03869	6.4
128.06203	4.5
129.05460	2.3
129.06987	22.8
130.07768	2.7
131.08554	33.6
133.06451	2.9
133.10114	28.7
135.08023	5.5
135.11681	10.6
137.09570	4.4
137.13248	1.2
139.11099	1.5
141.06964	9.3
142.07729	3.9
143.08540	23.1
144.09274	1.7
145.06454	3.0
145.10107	31.8
147.08031	3.8
147.11670	19.3
149.02336	22.8
149.03441	1.4
149.09601	5.7
149.13248	7.6
150.02647	6.4
151.11145	2.7
153.06990	1.8
153.09088	1.4
154.07785	2.4
155.08530	14.0
156.09224	2.0
157.10106	22.6
159.08034	2.7
159.11679	22.2
161.09616	3.5
161.13222	11.6
163.11147	3.8
163.14816	2.5
165.07141	1.8
165.12674	1.7
166.07738	1.6
167.08543	7.0
168.09294	3.1
169.10100	19.9
171.07935	1.2
171.10246	1.1
171.11664	21.0
173.04419	6.2
173.09650	2.7
173.11810	2.1
173.13220	14.0
175.11156	4.2
175.14787	4.9
177.12733	3.4
179.08488	4.0
179.14246	1.4
181.10089	10.7
182.10809	1.1
183.11665	19.2
184.07303	1.5
185.09602	2.7
185.13223	14.6
187.11110	3.7
187.13214	1.4
187.14796	4.2
189.11186	4.6
189.12685	1.8
189.16283	1.2
191.14233	1.1
192.09212	1.1
193.04955	19.7
193.10066	5.4
193.11974	1.7
194.05276	5.8
195.08183	1.7
195.11649	10.0
196.12311	1.4
197.13248	13.7
198.13882	1.2
199.11208	2.3
199.14804	8.6
201.12675	1.7
201.16383	2.6
203.14256	1.5
205.10100	1.3
205.15715	1.2
207.11687	5.1
209.13261	9.4
211.11060	1.2
211.14787	9.0
213.12749	1.3
213.14607	1.8
213.16394	4.8
215.17918	1.4
217.15892	1.7
219.13660	1.4
221.13263	4.2
223.14844	5.8
225.16310	5.0
227.12698	6.3
227.17914	2.3
227.20012	1.2
228.13191	1.1
229.14235	4.3
229.19560	2.3
231.17439	1.4
231.21051	1.1
233.13174	1.9
234.13802	1.1
235.14767	3.8
237.16328	5.4
239.18086	4.6
241.19453	6.4
243.15732	1.6
245.13417	1.3
245.18977	1.2
247.14798	2.0
247.20610	1.6
249.16364	2.0
251.17996	2.7
253.19550	2.7
255.17351	1.1
257.18945	4.3
259.20541	8.4
261.16290	1.1
261.21887	2.6
262.22388	0.9
263.17850	2.2
267.15775	6.8
267.21097	1.2
269.17322	1.6
271.20374	1.3
273.18451	5.0
273.22159	1.5
275.17456	1.7
275.20050	14.3
277.21793	1.6
279.21060	1.4
285.22171	1.2
291.19595	1.3
293.21054	1.2
295.20404	1.7
297.21805	1.4
299.19958	1.5
301.21664	1.3
307.20456	1.3
309.21872	1.3
311.23615	1.6
313.21573	1.7
315.23141	2.0
321.21927	1.1
323.23563	1.7
325.21548	1.2
333.24368	8.7
335.25980	7.6
339.23166	1.6
339.26962	1.6
341.24762	1.4
349.23825	6.0
351.22888	1.2
353.24417	1.7
355.26230	1.2
356.40741	0.9
361.25159	1.3
365.28363	3.4
367.22357	1.5
379.25494	1.2
379.29987	1.5
407.29428	1.3
413.21490	1.1
421.30911	3.1
435.32559	2.8
439.32144	1.3
453.33466	1.6
477.33350	1.2
495.34534	3.7
501.35074	1.3
509.36606	1.3
513.35645	24.8
514.35913	1.4
515.38666	6.2
517.35480	1.4
525.36029	1.4
527.37451	12.2
529.38159	1.4
533.39948	5.7
537.35468	1.2
545.38104	2.3
551.40717	4.4
555.36481	2.0
567.40472	1.1
589.42102	2.2
607.43567	49.3
608.43860	3.0
623.42291	1.4
625.44537	100.0
626.44763	7.7
635.39258	1.5
649.44617	1.3
653.39801	1.9
671.41876	1.9
674.96332	1.4
689.42139	5.1
715.45721	1.4
733.45856	3.0
751.47064	3.0
769.48425	6.6
770.18268	6.4
771.17365	1.7
787.49872	13.8
788.49347	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	787.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.8
55.05265	2.1
55.05505	28.7
57.03429	18.0
57.07057	4.3
59.04986	3.0
61.02903	5.9
65.03905	5.2
67.05495	82.0
68.38651	1.3
69.03414	17.8
69.07059	32.1
71.04972	9.6
71.79327	1.8
73.02902	3.9
77.03909	2.2
79.05012	1.9
79.05483	69.6
81.03409	52.4
81.07043	100.0
83.04975	9.9
83.08609	17.2
85.02894	13.0
85.06532	4.8
91.03942	4.1
91.05466	70.1
93.07030	68.6
95.01319	1.8
95.04949	20.5
95.08595	52.7
97.02876	15.9
97.06514	15.4
97.10151	6.7
99.04420	5.4
99.08088	2.6
101.02362	2.0
103.05442	4.0
105.07014	71.6
107.04939	8.9
107.08578	41.8
109.02876	7.3
109.06508	10.5
109.09479	2.2
109.10151	23.7
111.04388	3.1
111.08035	7.0
115.03905	2.1
115.05433	4.1
117.07006	28.9
119.04845	2.2
119.07719	3.0
119.08568	54.1
121.06471	7.9
121.10126	27.4
123.04356	1.9
123.08037	6.1
123.11686	11.0
125.09647	3.4
127.03877	8.2
127.07521	2.2
128.06215	3.4
129.05450	4.8
129.06978	20.7
130.07773	1.8
131.08546	41.8
133.06448	3.4
133.09152	2.6
133.10112	39.7
135.08061	7.1
135.11688	15.5
135.50444	1.6
137.09590	5.4
137.13190	1.8
139.07486	2.0
139.11116	2.1
141.07031	7.7
142.07768	4.0
143.08546	21.8
145.06462	4.7
145.10100	32.1
147.08029	6.1
147.11665	29.7
149.09534	8.2
149.13240	9.0
151.11147	4.2
153.07028	2.1
155.08524	10.8
157.10094	18.3
159.07994	4.2
159.11671	24.5
161.09602	5.0
161.13249	15.2
163.11139	6.2
163.14801	2.3
165.12735	4.0
167.08540	5.4
168.09305	2.1
169.10120	10.7
171.07999	2.1
171.11659	15.9
173.04451	13.7
173.09608	3.4
173.13220	13.8
175.11143	5.6
175.14807	5.3
177.09134	1.9
177.12740	6.3
177.16327	2.5
178.07620	2.0
179.08475	2.9
179.14279	4.0
181.10098	8.0
183.11674	10.8
184.07304	3.5
185.13255	9.1
187.11157	4.2
187.14760	5.8
189.11197	1.8
189.12703	3.6
193.10121	2.4
193.12231	4.3
195.11693	5.8
195.13763	2.8
196.12286	2.3
197.09628	2.0
197.13243	7.0
199.14845	8.1
201.12846	2.6
201.16336	2.5
207.11630	2.8
208.07306	1.6
209.13255	8.2
211.14838	3.4
213.16402	4.1
215.18077	1.7
219.11662	2.2
221.13252	4.1
223.14813	4.1
225.16570	1.9
227.14430	2.2
227.18030	2.7
229.14247	2.6
229.19632	2.0
237.16351	2.1
239.17990	2.8
241.19545	8.7
243.20993	2.8
251.17805	1.7
257.18921	8.0
259.20563	15.6
261.22101	6.4
267.15854	16.8
269.17422	7.0
271.20511	2.1
273.18448	4.8
273.22238	2.6
275.20035	21.1
285.22180	2.0
289.21561	2.5
293.21124	2.3
293.78995	1.9
297.22058	2.3
301.21729	2.5
301.25171	1.9
315.23239	3.3
331.17474	2.0
331.22321	2.2
333.24335	16.8
335.25851	21.7
336.26028	1.5
339.23114	2.4
341.24667	1.8
347.22446	2.4
349.23865	12.8
351.76318	1.5
373.23770	1.7
385.23904	2.2
413.21564	3.4
417.31540	2.1
435.32422	5.1
441.26099	2.2
453.33929	3.0
487.33893	2.4
489.35675	3.5
501.35468	2.6
509.35745	2.5
513.35583	3.3
515.37524	4.3
527.37189	31.5
529.38422	1.8
533.39954	3.0
541.37256	1.9
543.36597	2.6
545.38074	10.1
551.41504	2.8
555.37421	1.7
569.38501	1.9
591.38226	2.9
597.44995	2.0
607.43494	36.1
625.44495	37.2
626.44592	2.7
635.39545	3.7
653.40381	4.7
671.41351	8.6
689.42303	13.3
733.46466	3.3
751.46967	3.6
769.47998	4.9
787.49054	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	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.5
55.05503	25.3
55.47636	0.3
57.03430	9.0
57.07060	2.0
59.04995	0.7
61.02917	6.4
63.02396	0.4
65.03927	3.6
67.05494	53.6
68.05826	0.4
69.03425	5.3
69.07056	16.1
70.93548	1.3
71.01348	0.6
71.04988	3.0
71.08614	0.9
73.02905	2.4
73.06523	0.6
73.92131	0.4
77.03915	1.0
79.05480	44.5
80.05833	0.8
81.03410	3.0
81.07043	58.3
82.07382	0.8
83.04961	4.9
83.08150	0.8
83.08607	10.4
85.02885	5.9
85.06541	2.1
87.04475	0.4
91.03954	2.2
91.05466	50.6
92.05788	0.8
93.07027	48.8
93.66521	0.5
95.04954	8.2
95.08592	42.5
96.08916	0.4
97.02879	4.6
97.06516	5.1
97.10152	5.8
99.04449	0.7
99.08076	1.9
103.03943	0.5
103.05451	2.0
105.03386	0.8
105.04536	0.9
105.07014	40.7
106.07349	0.8
107.04958	3.7
107.08575	22.7
109.02867	1.2
109.06501	6.6
109.07185	0.6
109.09387	0.7
109.10137	13.1
111.08065	3.2
115.05422	5.7
116.06238	2.7
117.07001	29.7
118.07362	0.7
119.04938	1.8
119.08563	28.1
120.08931	0.7
121.06501	5.1
121.10121	14.9
123.08064	4.9
123.11697	3.7
125.09605	3.6
127.03900	1.5
128.06197	14.4
129.05469	1.0
129.06992	18.2
130.07765	6.2
131.04938	0.8
131.08545	48.0
132.08916	0.9
133.06474	5.9
133.10112	15.7
133.11137	0.9
135.04431	0.5
135.08035	3.7
135.11671	8.8
137.09593	2.6
137.13301	0.9
139.07468	0.5
139.11160	1.5
141.06973	7.9
142.07768	5.3
143.08539	50.9
144.09184	1.6
145.06491	2.9
145.10103	51.3
146.07249	0.6
146.10464	0.9
147.08040	7.0
147.11655	7.7
149.09587	4.6
149.13226	4.1
151.07509	0.8
151.11169	1.3
153.06966	1.6
154.07762	1.7
155.06012	0.6
155.08527	7.1
156.09267	1.1
157.06505	0.9
157.10104	16.7
157.11385	0.9
158.10771	0.8
159.08015	4.1
159.10297	0.7
159.11661	15.8
161.09602	9.1
161.13200	3.5
163.11171	3.8
163.14803	1.1
165.07005	1.7
165.09052	0.6
165.12711	0.7
166.07744	1.4
167.08545	3.9
169.10114	10.9
171.08044	1.1
171.11662	12.3
173.09633	3.5
173.13229	4.5
175.11153	5.5
175.14787	1.6
177.09032	0.6
177.12726	2.9
178.07825	0.5
179.08488	0.9
179.14293	0.7
180.09358	1.6
181.10081	7.4
182.10834	1.0
183.11653	5.9
184.07338	0.9
185.09596	2.1
185.13231	6.2
187.11177	1.8
187.14775	1.3
189.11171	0.7
189.12767	1.8
189.16318	0.6
191.10600	0.5
191.14285	0.6
193.10233	0.9
193.12173	0.8
195.11656	12.1
195.13484	0.6
196.12212	0.6
197.13251	2.1
199.11189	2.0
199.14757	2.0
201.12726	1.8
203.10736	0.5
203.12608	0.9
203.14397	0.4
207.11743	0.7
208.12477	0.7
209.13248	3.4
211.14844	2.9
213.12746	3.2
213.16446	0.9
215.10655	0.5
215.14388	0.9
217.12228	0.6
217.19284	0.5
222.13963	0.4
223.13048	0.6
227.14488	1.0
227.17937	5.0
229.14175	0.6
231.13737	0.8
235.14906	0.6
237.16354	14.2
238.16597	0.6
239.18036	0.8
241.14238	1.0
243.21043	1.2
245.18929	4.1
253.15833	0.7
255.17412	16.7
257.19019	1.2
259.20490	1.2
261.22089	4.7
271.16705	0.6
273.18448	48.8
274.18893	1.4
275.20108	1.0
291.19467	2.8
297.18146	0.5
311.19925	1.0
317.24652	0.9
319.22369	0.5
329.21069	6.2
331.22327	0.5
333.24197	1.0
335.25751	100.0
336.26151	3.8
337.27350	0.6
345.20248	0.5
347.22101	27.1
348.22342	0.9
365.23209	1.2
381.20593	0.6
399.21768	0.6
435.23422	0.5
499.38632	0.5
519.36633	0.5
533.39722	0.5
567.40369	0.8
589.41895	1.7
607.43494	44.0
608.43884	2.6
625.44562	6.4
644.24365	0.5
769.48737	0.7
787.48999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
55.05502	41.6
57.03423	11.4
57.07064	2.3
59.04991	2.0
61.02921	8.1
65.03934	4.8
65.99382	0.9
67.05492	73.3
69.03430	6.0
69.07056	24.0
70.99290	1.6
71.04978	5.8
73.02887	1.6
73.48487	1.1
75.21383	1.0
79.05476	58.3
79.35844	1.0
81.03413	5.8
81.07041	77.8
82.03407	1.1
83.04960	7.3
83.08602	16.6
85.02889	7.8
85.06519	3.7
85.45247	1.0
91.03937	2.8
91.05462	86.5
93.07026	60.0
93.36508	0.9
94.36967	0.9
95.04948	11.8
95.08590	50.1
95.30238	1.0
97.02864	6.6
97.06528	6.9
97.10139	7.5
99.08057	2.5
103.05442	4.5
105.04474	2.3
105.07010	68.6
107.04937	7.8
107.08571	29.1
108.08834	0.9
109.02859	1.9
109.06486	9.9
109.10130	14.9
111.08070	3.0
111.49152	1.0
115.05412	8.2
115.73241	0.9
116.06231	4.8
117.06997	46.1
119.04890	1.4
119.08559	39.5
120.13129	0.9
121.06491	7.7
121.10117	18.4
123.08045	10.9
123.11658	3.7
125.09611	6.6
127.03904	1.3
128.06194	27.5
129.06982	30.8
130.07759	13.5
131.08542	91.3
132.08929	1.0
133.06441	9.4
133.10097	22.6
135.08080	5.3
135.11653	9.9
137.09576	4.1
139.11147	1.8
141.06949	14.1
141.09082	1.1
142.07738	5.9
143.08536	99.0
144.09169	2.3
145.06436	6.2
145.10097	100.0
146.10448	1.5
147.08029	9.7
147.11652	9.4
149.09544	4.6
149.13239	5.0
151.07535	1.1
151.11136	1.7
153.06920	1.7
154.07675	2.4
155.08537	10.9
156.09283	1.9
157.06482	1.7
157.10110	26.8
159.08070	5.5
159.11662	21.9
161.08377	1.4
161.09604	16.2
161.13213	3.7
163.11110	4.7
163.14787	1.1
165.07007	3.2
165.09155	1.1
166.07755	1.4
167.08519	6.0
168.09401	1.1
169.10109	19.2
171.08075	2.2
171.11661	20.5
173.09613	2.3
173.13257	6.0
175.11172	6.9
175.14778	2.5
177.12683	3.9
180.09302	3.3
181.10059	13.3
183.11649	12.0
184.07330	3.9
185.07874	1.1
185.09569	2.6
185.13220	10.5
187.11113	2.8
187.14751	3.0
193.10095	1.6
195.11658	22.6
197.13289	2.0
199.11143	3.7
199.14812	3.1
201.12762	2.9
209.13225	3.3
211.14795	3.9
213.12677	3.5
213.16328	2.5
215.14273	1.7
217.12161	1.1
222.13914	1.6
227.17935	7.5
231.13724	1.9
237.12704	1.2
237.16342	24.7
241.14314	2.5
243.21075	1.9
245.18948	6.1
255.17393	27.9
259.20663	1.8
261.22003	6.2
271.16815	2.7
273.18439	79.5
275.20016	2.7
291.16400	1.0
291.19562	4.2
317.24481	1.1
329.20978	8.9
333.24136	1.6
335.25751	89.2
336.26123	2.3
347.22083	47.2
348.22617	1.6
348.40311	1.1
349.23566	1.3
435.22858	1.0
589.42255	1.5
607.43475	60.6
608.43286	1.8
625.44659	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	787.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.05496	0.5
56.06117	0.1
57.03426	1.5
57.07034	0.1
61.02913	0.3
63.02356	0.3
65.03935	0.3
67.05481	0.4
68.99786	0.5
69.03415	0.9
69.07043	0.4
69.87095	0.2
69.87509	0.7
70.06569	0.4
71.01323	0.2
71.04982	9.7
72.05307	0.1
72.08145	0.3
73.02898	0.5
74.00583	0.1
75.04470	0.4
78.04725	0.2
79.05473	0.6
81.03398	1.1
81.07045	0.8
83.04969	1.1
83.08551	0.1
84.08125	0.2
85.02892	10.9
86.03210	0.2
86.09650	0.1
87.04453	0.2
89.03903	3.1
91.05453	0.7
93.03380	0.3
93.07042	0.8
95.04968	0.6
95.08595	0.7
96.08923	0.1
97.02875	1.0
97.06519	0.2
99.04439	0.4
101.05982	0.1
103.05455	0.3
105.07025	0.8
107.04939	0.3
107.08560	0.6
108.08946	0.1
109.02864	0.9
109.06496	0.2
109.10135	0.5
110.05994	0.2
111.00785	0.8
111.04418	0.5
111.08064	0.2
114.09151	0.3
114.12798	0.2
115.03943	0.2
115.05418	0.2
117.03364	9.3
117.06988	0.2
119.04921	0.6
119.08567	0.6
121.02835	1.1
121.06446	0.3
121.10123	0.5
123.04416	0.2
123.08074	0.8
123.11684	0.2
124.05145	0.2
124.08370	0.2
125.05962	0.2
125.09589	0.2
127.03899	1.0
129.05463	2.6
129.06947	0.3
130.08630	0.5
131.04900	0.4
131.08598	0.2
133.02838	0.2
133.10120	0.4
134.03587	0.6
135.04404	1.2
135.08020	0.2
135.11664	0.4
137.02312	2.4
137.05959	1.0
137.09622	0.2
143.08585	0.2
145.02826	26.0
145.10115	0.3
146.03145	0.7
147.04405	0.8
147.06509	0.5
147.11691	0.4
149.02304	0.4
149.05943	3.5
151.03864	0.4
151.07500	0.2
153.01802	3.2
153.03027	0.2
157.06483	0.2
157.10048	0.2
158.05936	0.1
159.04262	0.1
159.11661	0.2
161.05957	0.5
161.13263	0.2
162.03133	0.2
162.92952	0.1
163.03868	1.5
163.07448	0.2
163.11208	0.2
165.01793	1.8
166.07843	0.1
167.07030	0.4
171.11507	0.2
173.05951	0.4
173.13098	0.1
175.03873	0.4
175.07593	0.2
175.14784	0.1
177.05441	53.4
178.05821	1.3
179.07166	0.1
181.04941	0.3
183.02864	0.6
183.04285	0.3
186.05470	1.1
187.03917	0.3
187.07530	0.2
189.05432	0.2
189.12822	0.1
189.16408	0.2
191.06982	0.2
193.04935	0.2
195.02820	0.2
195.06506	2.2
201.05423	1.7
203.06958	0.1
205.04977	0.4
207.06479	0.6
215.07074	0.3
219.02866	0.2
219.06476	0.2
219.10141	0.2
228.04207	0.2
229.04938	3.8
231.06569	0.2
233.08043	0.3
239.03386	0.2
247.06012	0.7
257.04419	2.2
259.09674	0.3
261.07632	0.6
273.07269	0.2
274.04697	0.6
275.05441	0.2
285.03925	1.3
286.04422	0.1
287.05386	0.2
291.08505	0.2
295.10645	0.1
303.04944	100.0
304.05295	3.6
305.10220	0.3
321.09619	1.6
323.11212	0.8
339.10666	4.0
340.11365	0.2
472.34668	0.2
473.36417	0.2
474.37173	0.2
490.36194	0.1
554.11450	0.1
605.39008	0.2
606.40814	0.3
623.13446	0.3
652.37897	0.2
750.44019	0.4
751.45245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05500	18.2
57.03166	0.7
57.03426	18.2
57.07071	2.5
59.04987	3.4
61.02914	3.3
65.03930	3.1
67.05492	100.0
68.05846	0.6
69.03412	2.9
69.07056	15.1
70.92271	1.0
70.92668	1.2
71.04985	5.4
71.08617	0.7
73.02895	1.3
73.06509	0.5
77.03905	0.4
79.05479	37.6
81.03404	10.9
81.07040	53.0
83.04967	4.6
83.08604	11.6
85.02885	8.2
85.06541	3.3
87.04466	1.5
87.93308	0.5
91.03925	0.7
91.05463	29.1
93.07027	42.3
95.04955	10.0
95.08588	37.9
96.08920	0.6
97.02872	2.9
97.06516	5.3
97.10146	3.8
99.04454	1.0
99.08091	1.5
101.06033	0.5
103.05440	1.3
105.04512	1.0
105.07012	18.6
107.04939	7.9
107.08571	22.4
109.02843	0.9
109.06500	6.2
109.10138	63.4
110.10434	0.6
111.04415	2.1
111.08047	3.5
113.09645	0.9
115.05385	0.7
117.06995	10.8
117.07772	0.8
119.08564	18.8
121.06476	7.1
121.10122	17.2
123.04433	1.0
123.08045	3.1
123.11699	5.1
125.09615	2.8
127.07571	0.6
127.11169	0.6
128.06203	1.3
129.06972	2.6
130.07771	0.7
131.08543	14.4
133.06445	0.7
133.10104	12.2
135.08069	2.0
135.11668	12.1
137.05930	0.6
137.09589	4.2
137.13248	1.8
139.11157	1.3
141.06989	2.1
143.08530	3.4
145.06459	1.5
145.10100	10.4
147.08041	0.9
147.11671	6.7
149.09583	2.0
149.13249	5.8
151.11154	1.2
153.09041	0.5
154.07819	0.6
155.08588	1.2
155.10629	3.5
157.10132	2.3
159.08051	1.3
159.11670	10.3
161.09634	2.0
161.13217	5.4
163.11206	1.4
163.14784	2.7
167.10651	0.6
169.10085	3.6
171.11693	2.0
173.11731	19.1
173.13240	5.2
175.11171	0.9
175.14799	2.1
177.12709	3.4
177.16345	1.2
179.10605	0.9
179.14421	0.5
181.10045	0.6
183.11708	1.1
184.07300	0.7
185.13228	1.3
187.11131	3.5
187.14789	2.9
189.11224	2.3
197.13382	0.7
199.14819	1.3
201.16383	1.0
205.12238	2.9
207.13828	1.1
211.14859	1.0
213.14790	1.0
219.17284	0.6
223.13235	12.4
223.15236	0.9
227.12733	6.4
229.14310	79.5
230.14561	0.8
233.22664	1.1
237.14833	1.5
239.13008	0.7
241.14510	0.5
241.19598	0.8
243.21075	6.2
259.20569	2.5
261.22104	18.0
275.20056	2.2
277.21835	1.1
279.15860	3.1
279.23230	1.0
281.17288	0.8
297.16934	25.5
297.22168	0.8
299.23563	1.0
303.23080	0.6
315.23047	0.9
317.24747	3.5
322.27344	1.0
329.19189	0.7
329.24756	0.9
333.24179	2.3
335.25751	88.0
336.25909	2.6
337.76089	0.6
349.23566	0.6
353.26974	0.8
365.33136	0.5
397.31116	0.9
415.31946	1.3
447.32343	1.7
465.33505	2.3
471.34518	1.1
483.34479	1.3
489.35699	39.1
490.36111	1.0
501.35413	0.6
507.36713	3.4
539.37201	4.8
556.63782	0.6
557.38251	17.9
571.39777	0.6
575.39362	3.6
589.41656	0.6
607.43427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.3
55.05502	42.5
55.72166	1.0
57.03421	9.9
57.07058	3.3
59.04984	2.1
61.02916	10.0
65.03927	4.1
65.44212	1.0
67.05496	58.7
69.03419	13.1
69.07056	22.2
70.14758	6.2
71.01328	1.7
71.04977	4.3
71.08641	1.2
73.02890	5.0
79.05481	47.5
81.03400	14.6
81.07044	52.9
83.04979	8.8
83.08609	17.3
85.02891	11.1
85.06539	2.3
91.03947	4.1
91.05466	42.6
93.07028	40.7
95.04961	10.3
95.08595	33.6
97.02882	10.4
97.06520	4.8
97.10149	27.8
98.21327	1.6
99.04443	2.1
101.02381	1.3
103.05437	2.1
105.04530	1.5
105.07008	31.5
107.04932	7.5
107.08578	27.1
109.02831	4.8
109.06479	6.0
109.10137	20.0
111.04426	1.9
111.08061	3.8
111.11635	1.3
115.05462	3.7
116.06232	1.1
117.07001	21.1
119.04900	1.8
119.08564	29.7
121.06514	3.9
121.10118	13.5
123.04389	1.0
123.08048	6.7
123.11683	3.4
125.09618	22.8
127.03911	4.9
128.06192	6.4
129.05484	1.4
129.06987	20.0
130.07738	1.9
131.07619	2.0
131.08549	23.7
133.06488	2.3
133.10109	17.5
135.08041	6.7
135.11667	5.0
137.09602	4.1
139.11180	1.3
141.06949	11.0
142.07802	5.0
143.08546	19.2
145.06494	6.6
145.10104	19.3
147.04474	1.2
147.07967	5.1
147.11656	11.2
149.09619	3.8
149.13226	3.0
151.07469	1.3
151.11150	1.5
153.06967	2.8
153.09097	2.2
154.07784	2.5
155.08533	15.9
156.09291	1.6
157.06400	2.1
157.10088	15.9
159.08054	4.7
159.11665	12.7
161.09625	3.9
161.13271	4.3
163.11163	2.7
163.14777	2.0
165.06979	3.1
166.07724	2.1
167.08553	9.4
168.09285	3.6
169.10094	18.8
170.10756	2.0
171.08018	3.7
171.10289	1.2
171.11649	14.9
173.04427	3.1
173.09596	3.0
173.11858	2.3
173.13271	7.6
175.11177	3.0
175.14799	3.1
177.12759	1.6
179.08525	4.7
180.09273	1.3
181.10085	11.0
182.10901	3.2
183.08086	2.7
183.11673	16.3
185.09656	3.4
185.13229	8.6
187.11142	3.1
187.14818	2.7
189.11189	12.9
189.12695	1.8
191.08604	1.5
193.10130	6.6
193.12155	2.3
194.10851	1.1
195.11664	12.3
197.09631	3.1
197.13222	9.7
197.73183	1.0
199.11171	2.7
199.14740	5.7
201.07448	1.1
201.12680	1.7
201.16341	1.7
205.10098	3.7
206.10788	1.3
207.11653	5.5
209.09586	2.0
209.13210	9.9
211.11215	2.5
211.14784	5.5
213.12753	3.7
213.16454	3.5
215.14319	1.4
218.07422	1.3
219.11633	2.6
221.13196	5.1
221.15294	1.1
223.14778	4.5
225.12692	2.7
225.16368	3.8
227.12669	15.7
227.17900	2.5
231.11794	1.6
233.13173	2.8
235.14786	3.9
237.16412	4.8
239.17889	3.5
241.15839	1.6
241.19492	2.5
243.17410	1.2
245.13591	2.0
249.12573	1.7
249.16409	2.2
251.17958	3.9
253.16095	1.4
253.19528	2.0
255.17525	1.7
257.19019	2.3
259.20535	3.3
261.16223	1.4
263.17798	1.7
265.15811	1.2
265.19571	1.6
267.17706	1.2
271.16833	3.4
273.18472	5.6
275.20053	4.3
277.19333	1.5
281.18997	1.2
283.20392	1.6
291.19458	7.2
293.18893	1.6
295.20541	1.4
297.22101	1.7
299.20129	1.7
307.20139	1.2
309.22174	2.0
313.21570	1.5
321.22031	3.3
323.23456	1.5
325.21500	1.8
333.24240	1.9
335.20117	1.4
335.25824	2.3
339.23120	1.7
343.22351	1.8
349.21411	1.9
351.22775	1.5
365.23557	2.9
367.22714	1.9
377.28574	2.7
379.25854	1.4
379.29990	9.3
380.30533	1.2
443.29572	1.2
485.37256	1.2
489.34937	1.5
493.33069	1.1
511.33981	1.5
513.36963	4.4
529.34961	2.1
531.38330	8.2
535.34479	1.5
536.34637	1.3
541.34839	2.6
549.39594	6.1
553.34949	2.5
554.35999	4.6
567.39752	1.8
587.41193	1.6
599.31744	1.4
605.41858	35.9
606.42401	4.1
621.40167	1.5
623.42999	100.0
624.43506	10.8
667.38361	1.3
713.43616	1.2
731.44580	2.5
749.45251	3.9
767.47070	5.0
785.48181	22.1
786.47974	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	785.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73046	1.2
55.01860	19.8
55.05501	48.7
57.03428	14.9
57.07054	4.5
59.04986	3.1
61.02921	5.7
65.03931	7.9
67.05493	100.0
68.05798	1.1
69.03419	32.0
69.07058	51.3
71.01338	2.8
71.04979	14.3
71.08620	2.0
71.79630	1.4
73.02903	4.1
77.03905	1.7
79.05481	88.5
80.05807	1.9
81.03405	68.6
81.07040	91.9
82.07388	1.1
83.04967	20.0
83.08608	24.3
85.02888	17.3
85.06546	6.3
87.04405	1.2
91.05464	88.1
92.05817	1.6
93.07030	77.0
94.07337	1.7
95.01299	1.4
95.04370	2.1
95.04953	24.2
95.08588	58.7
97.02875	19.5
97.06506	20.0
97.10153	18.0
99.04436	9.2
99.08083	4.3
101.02361	2.6
103.05438	3.7
105.04503	2.8
105.07013	81.6
106.07344	1.3
107.04935	18.1
107.08576	65.8
109.02863	18.2
109.06502	15.1
109.10138	37.9
111.04424	8.0
111.08055	6.9
113.09632	2.4
115.05442	6.3
116.06168	1.8
117.06998	36.0
119.04948	2.0
119.08562	52.8
120.08884	1.6
121.06483	11.6
121.10120	30.0
123.04422	3.4
123.08060	8.6
123.11670	9.4
125.05861	1.3
125.09609	15.5
127.03896	18.5
127.07540	1.3
128.06189	5.8
129.05450	4.0
129.06992	25.4
130.07753	3.5
131.04915	2.5
131.08554	44.8
132.09372	1.1
133.06500	7.7
133.10104	44.9
135.08029	15.8
135.11655	16.0
137.05968	1.7
137.09590	8.2
137.13217	1.2
139.07462	1.5
139.11159	3.1
141.06940	8.1
142.07762	4.8
143.08530	24.4
144.09302	1.8
145.04982	1.5
145.06454	8.2
145.10103	44.6
147.08043	9.8
147.11659	26.8
149.05937	2.2
149.09589	25.9
149.13190	7.5
151.07524	1.2
151.11168	6.5
153.06998	2.4
153.09055	1.7
153.12720	1.3
154.07721	3.4
155.08525	14.0
156.09314	3.2
157.06427	1.2
157.10097	20.7
159.07983	5.9
159.11661	26.1
161.05940	1.7
161.09610	6.7
161.13206	11.1
163.07460	1.4
163.11179	14.2
163.14775	2.7
165.07022	3.2
165.09122	2.7
165.12701	3.6
166.07738	1.7
167.08531	6.3
167.10667	1.6
168.09329	2.2
169.10106	16.4
171.08009	4.7
171.10167	2.7
171.11626	16.8
173.04442	26.8
173.05922	2.2
173.09593	6.6
173.11708	4.7
173.13248	13.1
175.11137	7.3
175.14784	2.2
177.12721	6.9
179.08539	3.4
179.10649	1.4
179.14259	5.8
180.09375	2.5
181.10107	7.4
182.10936	2.0
183.06578	1.5
183.08098	2.9
183.11658	12.7
185.09578	2.9
185.13222	9.7
187.11183	7.5
187.14751	6.4
189.09537	1.9
189.11203	9.3
189.12643	2.2
189.16406	1.6
190.78450	1.3
191.10547	1.3
191.14264	2.5
193.10141	3.1
193.12082	1.8
195.11696	9.3
195.13445	1.7
197.09639	3.0
197.13225	11.7
199.11205	3.0
199.14812	4.6
201.12723	3.8
201.16315	2.3
205.10193	2.2
205.12122	3.0
207.11671	4.6
207.13768	1.7
209.09563	1.4
209.13260	6.5
211.11116	2.1
211.14830	4.7
213.12714	3.2
213.16399	2.6
215.14194	2.9
215.17908	2.9
217.15891	1.6
219.13820	2.9
221.13239	3.7
223.14844	2.1
225.12791	2.2
225.16446	2.8
227.12683	10.1
227.17891	3.0
229.12274	1.4
229.14259	4.0
229.16167	1.5
229.19460	6.3
231.11659	1.9
231.13824	1.8
233.13264	2.2
233.15323	2.6
233.18819	1.5
234.14014	1.3
235.11057	1.2
235.14745	2.7
237.12599	1.5
237.16399	3.3
239.14232	2.1
239.17926	8.4
241.10596	4.3
241.19354	1.4
245.13454	1.9
245.18965	2.0
247.14851	1.6
247.20586	7.1
249.16679	1.5
255.17421	2.1
257.18982	22.5
259.20593	3.7
261.18835	1.5
271.20483	1.4
273.18500	5.6
275.20020	94.5
276.20374	2.7
287.19952	2.3
291.19479	2.6
293.21179	8.6
297.18573	1.8
299.20175	2.2
311.20004	2.4
311.48557	1.4
313.21497	1.5
317.20987	1.6
325.21753	2.1
329.21198	1.8
331.22665	5.1
337.21332	1.7
341.21115	2.8
347.22241	2.7
349.23700	40.0
350.23987	2.4
355.22519	1.7
365.20917	2.6
367.24799	2.2
373.24142	1.9
377.28531	1.5
381.28134	1.5
383.21771	6.2
395.29395	2.1
401.23117	3.2
419.24286	6.1
419.29257	1.4
431.28494	1.2
433.30420	1.5
439.24774	1.9
457.25742	2.5
475.27100	2.7
493.27505	6.5
503.33206	2.6
511.34134	3.5
513.36737	2.3
519.33075	1.4
525.36011	1.9
527.37567	1.5
531.37817	3.2
543.36481	5.8
549.39935	2.4
554.35626	1.4
595.43115	3.6
605.41803	12.5
608.43781	1.8
621.40662	1.6
623.42957	51.9
624.42926	4.3
641.43829	6.2
665.43616	1.7
669.40076	1.5
673.39581	2.1
687.40985	5.5
711.43903	1.7
749.45264	4.6
767.47351	11.3
768.47107	1.5
785.48334	33.8
786.48138	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	785.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.4
55.05502	42.0
57.03426	15.5
57.07061	3.1
59.31076	1.5
61.02923	8.4
65.03927	7.0
67.05495	90.8
69.03415	27.6
69.07057	34.2
69.70847	1.3
71.04993	12.6
71.79559	3.0
73.02897	4.2
75.80446	1.4
79.05479	78.4
81.03406	52.0
81.03777	1.0
81.07043	93.7
82.03735	1.4
83.04967	14.7
83.08613	17.4
83.94698	1.6
85.02888	17.0
85.06531	5.7
86.09653	1.7
91.03941	4.2
91.05469	100.0
93.07029	76.0
94.07384	2.4
95.04958	21.4
95.08591	58.1
97.02875	17.1
97.06503	15.7
97.09629	1.4
97.10155	9.5
99.04440	9.2
99.08067	2.9
101.02361	2.3
103.05457	3.1
105.04534	2.0
105.07014	84.8
105.43224	1.8
106.07345	1.8
107.04932	13.7
107.08577	47.5
109.02868	10.6
109.06509	13.3
109.10139	32.4
111.04433	6.1
111.08047	8.8
113.02303	1.6
115.05447	7.0
116.06239	2.3
117.07000	37.3
119.08562	66.5
121.06512	10.2
121.10120	26.5
123.08041	9.3
123.11684	7.2
125.09627	5.6
127.03914	10.4
128.06197	11.1
129.05463	3.6
129.06987	25.5
130.07764	4.5
131.04948	2.7
131.08549	52.5
132.08945	1.5
133.06490	7.0
133.10109	51.1
135.08058	11.3
135.11676	17.9
137.09627	8.1
139.11136	2.4
141.06969	9.2
142.07758	7.9
142.84669	1.5
143.08540	34.5
144.09322	3.7
145.06438	7.2
145.10107	46.7
145.11194	2.7
147.08057	8.0
147.11671	28.3
149.09601	12.4
149.13263	7.7
151.11172	4.6
153.06964	3.2
154.07791	3.0
155.08536	12.8
156.09288	1.9
157.06464	2.1
157.10106	24.2
159.08047	5.8
159.11685	28.5
161.09581	8.2
161.13237	12.2
163.11179	7.4
163.14859	1.6
165.07036	3.5
165.12715	2.0
166.07732	3.3
167.08493	7.5
168.09286	2.2
169.10103	20.1
169.54372	1.5
170.10770	1.6
171.08037	3.9
171.10300	2.9
171.11649	22.8
173.04463	23.3
173.09627	4.9
173.11795	3.1
173.13187	14.0
175.11194	6.2
175.14851	4.9
177.12759	4.5
178.07722	1.8
179.08527	5.8
179.14313	2.9
180.09300	2.0
181.10104	8.9
182.10844	1.8
183.08005	2.9
183.11647	17.3
185.09630	4.6
185.13222	9.6
187.11160	4.7
187.14832	5.4
189.11116	3.6
189.12758	3.3
189.16486	1.9
191.14310	1.8
193.10155	7.7
193.11755	1.7
195.11668	15.4
196.12238	1.6
197.09770	1.9
197.13226	11.6
199.11189	4.1
199.14827	6.1
201.12698	5.3
201.16264	2.1
203.14337	1.9
205.10155	1.8
207.11656	6.3
209.09648	2.6
209.13219	8.3
211.11197	1.9
211.14783	6.1
213.12666	2.3
213.16373	6.4
215.14293	2.0
217.15929	2.6
219.11629	3.2
219.17503	2.0
221.13194	7.8
223.14825	5.8
225.12769	3.1
225.16228	2.0
227.12663	2.7
227.17938	2.9
229.19505	2.9
231.13957	2.1
235.14824	3.5
237.16388	8.4
239.18015	5.9
241.19543	4.4
247.20599	4.2
251.17914	2.7
255.17387	4.4
257.18924	11.1
259.20502	10.5
263.17654	1.6
269.17505	1.9
271.17078	2.5
273.18506	12.1
275.20013	49.7
281.18747	2.5
285.18646	1.8
293.21228	3.6
299.20129	1.8
309.22122	1.9
311.20099	2.1
313.21750	2.1
315.23166	2.6
321.24509	2.4
331.22668	3.4
333.24307	19.6
335.25674	2.0
337.21725	2.1
347.22229	7.5
349.23764	19.7
350.24005	2.8
361.24649	1.7
363.26981	1.8
383.22101	2.7
401.22986	2.3
401.28418	1.6
419.24173	2.8
493.27591	3.7
511.33649	1.9
513.36993	5.9
525.34875	2.3
531.38086	6.6
539.37939	2.0
541.34888	1.7
543.36871	5.1
549.39069	6.5
587.41663	2.5
595.43427	3.9
605.32635	2.6
605.41931	51.1
606.41864	3.8
623.42963	54.4
624.43054	6.1
641.43463	2.6
687.40668	7.1
732.45569	1.8
767.46533	8.8
785.48163	22.4
786.47290	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	785.466
Annotation	Linckoside D
Peak:m/z	Relative Intensity
55.01865	1.8
55.05499	4.1
55.93652	0.3
57.03432	8.2
57.07059	1.1
59.04987	1.1
61.02917	2.8
65.03934	0.8
67.05492	6.8
69.03419	11.8
69.07049	5.0
69.92963	0.3
70.03745	0.5
70.18604	0.3
70.68589	0.4
70.68933	1.1
71.01337	1.4
71.04980	49.2
72.05322	0.8
73.02905	16.7
75.04460	2.1
79.05474	6.0
79.83815	0.3
80.05803	0.5
81.03400	2.8
81.07040	14.1
82.03746	0.4
82.66509	0.4
83.04967	9.9
83.08611	2.6
85.02890	69.5
85.06515	1.9
86.03223	1.4
87.04454	2.7
91.03938	0.5
91.05460	6.6
93.07023	12.6
95.04954	2.8
95.07983	0.8
95.08590	16.5
96.08924	0.6
97.02872	11.4
97.06519	1.5
97.10159	1.6
98.03220	0.6
99.04445	4.9
99.08092	1.4
103.03950	0.5
103.05460	0.5
105.07014	12.3
105.84424	0.3
106.07359	0.5
107.04945	0.6
107.08569	17.3
109.02847	1.3
109.06522	2.3
109.10139	16.3
110.10500	0.5
111.04417	4.8
111.08075	2.1
113.05988	0.7
113.09648	0.7
115.03911	6.3
117.05457	1.8
117.06955	2.3
119.08558	16.6
120.08914	0.8
121.06480	1.4
121.10126	13.8
123.04488	0.5
123.08036	3.2
123.11679	9.4
125.05999	0.5
125.09604	5.8
127.03884	2.8
127.07529	0.5
127.11163	4.1
129.05457	12.6
129.07008	1.2
130.07770	0.6
131.08545	6.3
132.90077	0.3
133.04959	1.4
133.06523	0.6
133.10107	15.8
135.08025	2.7
135.11664	9.5
137.09587	5.1
137.13232	1.4
138.09933	1.3
139.03900	1.3
139.11194	1.2
141.06976	0.4
141.12740	1.8
142.07684	0.4
143.08530	3.5
143.10637	5.7
144.09286	0.6
145.04927	2.7
145.06395	0.3
145.10103	11.1
146.10336	0.4
147.06516	3.4
147.08044	1.1
147.11662	9.5
148.11989	0.4
149.09616	2.0
149.13219	5.3
151.07582	0.5
151.11176	1.4
151.14774	0.5
153.12694	1.0
155.08496	1.1
156.09250	0.5
157.04919	0.5
157.10114	6.2
158.10759	0.4
159.08022	0.8
159.11655	10.2
160.11984	0.4
161.09633	2.4
161.13237	9.0
162.13507	0.5
163.06050	0.7
163.07442	0.6
163.11147	1.5
163.14761	1.9
165.09073	0.8
165.12692	0.9
167.10628	0.4
169.10069	1.9
170.10870	0.5
171.06586	0.8
171.11670	4.6
172.12328	0.5
173.09587	1.0
173.13240	8.1
175.11156	2.0
175.14789	5.5
177.09131	0.6
177.12778	1.8
177.16304	2.5
179.14343	0.9
181.10094	0.7
183.11653	2.3
185.13211	3.4
187.11240	1.0
187.14780	5.7
189.12737	1.0
189.16386	3.1
191.10686	1.0
191.14305	1.3
191.17917	1.7
193.10048	0.5
193.12193	1.0
194.32704	0.3
195.11696	0.8
195.13718	0.4
197.13257	3.5
199.11087	0.5
199.14754	4.0
201.12712	0.8
201.16347	5.2
203.14317	1.0
203.17960	2.6
205.15892	2.2
207.06383	0.5
207.13637	0.5
207.17531	0.6
209.13248	1.6
211.14809	2.3
213.16284	2.9
215.14377	1.2
215.17929	2.8
217.12160	0.4
217.15887	0.8
217.19514	0.8
219.13759	1.1
219.17409	0.9
221.13257	0.5
223.14799	0.9
225.07510	1.9
225.16344	1.3
227.14400	0.5
227.17947	1.5
229.15881	0.9
229.19547	0.7
231.13719	1.0
231.17340	0.6
233.15359	1.4
233.18996	0.4
235.16957	0.7
237.16331	1.1
239.17900	1.6
241.19499	1.0
243.08630	0.7
243.13770	0.4
243.17572	0.5
245.15428	1.0
245.18958	0.4
247.17006	2.0
251.17946	0.7
253.19514	1.5
255.17416	0.6
255.20996	0.8
257.18994	1.0
259.20551	0.8
261.09717	0.7
261.18521	0.6
265.19464	0.8
267.15863	1.0
267.21051	1.1
269.19342	0.4
269.22476	0.5
271.20435	0.9
273.18451	1.4
273.22073	0.9
283.20599	0.8
285.18997	0.4
285.22058	0.8
289.21545	0.5
293.22260	0.4
295.20438	0.8
297.22168	0.8
299.23572	0.5
301.21582	1.2
307.24255	0.6
309.22000	0.7
311.23801	0.5
313.21585	1.6
313.24887	0.6
315.23108	0.9
325.25308	0.4
327.23206	0.4
329.24689	0.6
337.25320	0.5
339.27036	0.4
349.25064	0.4
353.28458	1.2
367.30109	0.9
371.25995	0.5
377.28397	0.6
383.29312	0.8
393.31613	0.8
395.28937	2.7
395.33682	0.8
405.31503	0.5
407.32980	1.0
409.34351	0.7
413.30414	3.2
417.31528	1.0
419.32986	1.1
423.32724	2.0
435.32507	4.6
436.32904	0.5
437.34152	3.5
441.33524	2.7
453.33578	11.1
454.33746	1.5
455.35077	6.9
456.35355	0.5
459.27518	0.5
460.27686	1.2
461.29318	0.7
471.34628	17.0
472.35019	2.1
473.36127	9.2
474.36740	1.1
477.28101	0.8
478.29041	0.9
489.35684	100.0
490.36053	10.5
491.36694	1.2
507.36795	2.7
581.38098	0.7
587.39923	1.9
603.38739	2.7
605.40369	22.4
606.41016	1.9
621.39874	41.8
622.40167	3.4
639.40894	1.5
767.44470	1.5
774.99945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4663
Annotation	Linckoside D
Peak:m/z	Relative Intensity
55.01805	1.4
55.02045	0.4
55.05445	3.6
57.03370	5.2
57.07016	1.2
59.04951	0.9
61.02909	2.7
63.22460	0.4
65.03913	0.5
67.05433	6.7
69.07053	5.7
71.01279	1.1
71.04981	24.5
71.05347	1.3
71.19289	1.1
73.02905	22.2
73.03291	1.3
73.06505	0.5
75.04401	1.2
79.05479	6.5
81.03339	1.2
81.07043	15.9
81.07494	0.6
83.04964	5.0
83.08607	3.0
83.46680	0.3
85.02891	27.3
85.03368	1.4
85.06465	1.5
86.03182	0.4
87.04399	1.4
91.05458	5.3
92.83456	0.4
93.02034	0.4
93.07027	13.7
93.07577	0.4
95.04967	2.5
95.08590	18.3
96.08859	0.6
97.02882	6.3
97.06503	1.8
97.10132	1.9
99.04356	1.3
99.08001	1.4
103.05368	0.5
105.07011	14.3
106.07281	0.4
107.04879	0.6
107.08575	20.6
108.08814	0.6
109.06435	1.5
109.10137	18.5
111.03746	0.4
111.04406	3.4
111.08056	2.4
113.05923	0.7
113.09548	0.5
115.03919	5.7
115.05282	0.7
117.05452	0.5
117.06994	2.1
117.18900	0.5
119.08561	19.6
121.06501	2.0
121.10129	16.7
123.04390	0.5
123.08065	2.1
123.08741	0.4
123.11685	9.8
125.05894	0.6
125.09603	6.5
127.03805	1.3
127.11168	5.6
129.05441	4.6
129.06924	1.5
130.07721	0.5
131.08554	8.1
133.04860	1.0
133.10106	19.3
134.10323	0.5
135.08044	3.1
135.11679	10.8
137.05917	0.6
137.09599	2.2
137.13235	2.2
139.03796	0.8
139.07477	0.8
139.11122	1.9
141.12746	1.9
142.07738	0.9
143.08549	4.0
143.10654	9.1
144.09262	0.8
145.04926	0.9
145.06387	0.5
145.10100	14.2
147.06435	1.1
147.08031	1.8
147.11662	13.0
149.09601	2.2
149.13235	7.4
151.07446	0.5
151.11061	1.4
153.09073	0.5
153.12645	1.3
155.08437	1.7
156.09265	0.5
157.10117	6.1
159.07976	1.0
159.11674	15.8
161.09537	2.3
161.13229	11.2
163.11108	1.8
163.14775	3.3
165.09018	1.3
165.12717	0.9
167.10553	0.5
167.14270	0.6
169.10101	2.6
171.06480	0.5
171.07936	0.6
171.10301	0.6
171.11650	5.5
171.68495	0.4
173.09526	1.0
173.13220	10.5
174.13683	0.6
175.11176	1.8
175.14806	5.8
177.05299	0.6
177.09030	0.9
177.12749	2.0
177.16348	3.6
179.10570	1.3
179.14220	0.9
181.10028	0.8
181.12079	0.5
182.10922	0.5
182.49173	0.4
183.11641	3.3
184.12155	0.4
185.09488	0.6
185.13208	5.2
187.11104	1.5
187.13268	0.5
187.14792	7.8
189.12610	0.9
189.16360	3.8
191.10579	0.8
191.14227	1.4
191.17885	1.6
193.12202	0.5
195.11710	1.9
195.13254	0.5
196.12292	0.5
197.13211	3.2
199.10944	0.9
199.14763	4.7
200.15288	0.4
201.12805	0.9
201.16374	6.5
203.14246	1.1
203.17903	2.4
205.12164	0.8
205.15833	2.8
207.13713	0.6
207.17372	0.6
209.13182	1.5
211.14761	3.1
213.12663	0.6
213.16342	4.3
215.14261	1.4
215.17889	3.2
217.12192	0.4
217.15758	1.4
217.19402	0.9
219.13698	1.1
219.17372	1.9
221.13219	0.6
221.15280	0.5
223.14685	1.7
225.07521	0.9
225.16301	2.4
227.14267	0.7
227.17931	2.0
229.15784	1.3
229.19444	0.5
231.13704	0.7
231.17384	0.8
233.15280	1.2
233.18971	0.7
235.14671	0.8
235.16888	0.8
237.16339	1.0
239.17880	1.1
241.19460	1.9
243.08641	0.6
243.13649	0.5
245.15225	1.2
245.19014	0.8
247.16956	3.2
249.16347	0.8
251.17732	1.1
253.19388	1.6
255.17287	0.9
255.21115	0.9
257.18866	1.1
257.22583	0.4
259.17014	0.5
259.20410	0.9
261.18518	0.6
261.22046	0.4
263.16348	0.4
265.19553	0.9
267.20947	1.7
269.18912	0.7
269.22562	0.8
271.20456	0.8
273.18430	1.7
273.21921	1.2
277.19305	0.5
279.20999	0.6
281.22437	0.7
283.20486	1.2
285.18564	0.7
285.21951	0.9
287.23642	0.4
295.20377	0.7
295.23679	0.4
297.22150	0.7
299.19965	0.6
299.23550	0.7
301.21555	2.1
307.20874	0.6
307.24216	0.9
311.23599	0.5
313.21558	1.6
315.23315	1.8
315.26511	0.4
325.25076	0.9
327.23163	0.9
327.26645	0.4
331.23215	0.4
333.25610	0.5
337.25168	0.4
339.23221	0.5
341.24741	0.6
349.25137	0.7
351.26724	0.8
353.28195	1.1
367.26154	0.8
371.25525	0.4
373.78531	0.4
377.28156	1.1
381.31317	0.4
393.31567	1.8
395.29184	3.7
395.33032	0.5
405.31168	0.5
407.32895	1.2
409.34677	0.7
411.32614	0.7
413.30386	3.5
417.31525	1.0
419.32748	0.6
423.32504	2.2
425.34253	0.7
435.32602	4.4
437.34271	2.2
441.33591	3.3
453.33575	10.1
455.35208	6.4
456.35748	0.5
461.29312	0.5
471.34641	17.8
472.35083	1.1
473.36234	7.7
488.77145	0.4
489.35681	100.0
490.36084	6.9
491.37125	1.1
506.24579	0.4
507.36758	5.9
578.07855	0.4
587.39404	2.2
603.38556	2.8
605.40393	34.0
606.40765	2.9
617.40540	0.5
621.39880	71.6
622.40240	5.4
623.41174	1.2
635.41504	0.6
639.40924	3.8
653.42706	0.6
767.46301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4671
Annotation	Linckoside D
Peak:m/z	Relative Intensity
55.01861	1.6
55.05254	0.4
55.05501	4.3
57.03426	7.9
57.07063	0.9
59.04987	1.1
61.02912	2.2
65.03923	0.3
67.05494	6.2
69.03418	10.5
69.07057	3.9
69.61116	2.5
70.06602	0.5
71.01330	1.6
71.04980	46.4
71.08636	0.3
72.05331	0.6
73.02905	12.1
73.06552	0.5
75.04459	3.2
79.05477	5.5
81.03404	2.5
81.07041	12.7
82.07365	0.4
83.04964	8.4
83.08601	2.0
84.05262	0.3
85.02890	63.7
85.06521	1.7
86.03217	0.6
86.06078	0.4
87.04456	1.9
91.05466	5.6
93.07030	11.6
94.07347	0.4
95.04952	2.7
95.08588	14.5
97.02874	10.5
97.06498	1.5
97.10149	1.5
99.04430	4.4
99.08073	1.7
101.06030	0.9
101.08279	0.3
103.03978	0.4
103.05453	0.4
105.07013	11.7
107.04941	0.8
107.08576	15.6
108.08948	0.5
109.02883	1.3
109.06522	1.7
109.10139	14.3
110.10420	0.4
111.04422	6.1
111.08070	1.7
113.05997	0.6
113.09659	0.3
114.09156	0.8
115.03912	5.6
117.05471	1.7
117.06968	2.5
119.04950	0.6
119.08563	15.7
120.08107	0.3
120.08923	0.6
121.06499	1.4
121.09245	0.7
121.10122	11.9
122.10454	0.6
123.04388	0.3
123.08051	6.6
123.11685	7.0
125.05982	0.6
125.09613	4.9
125.10477	0.4
127.03916	2.5
127.07563	0.4
127.11178	3.7
128.06233	0.4
129.05455	12.5
129.06883	1.3
130.08611	0.4
131.08545	6.5
133.04929	1.5
133.06491	0.8
133.10104	14.5
134.10472	0.4
135.04399	0.4
135.08052	2.3
135.11664	7.8
136.07590	0.4
137.05905	1.4
137.09613	1.6
137.13257	1.1
139.03854	1.5
139.07487	0.3
139.11165	1.2
141.06989	0.4
141.12720	1.3
142.07703	0.6
143.08549	3.3
143.10657	5.6
144.09282	0.6
145.04916	1.8
145.06477	0.3
145.10098	10.8
146.10472	0.6
147.04454	0.7
147.06512	3.9
147.08029	1.4
147.11661	9.7
149.05934	0.4
149.09569	1.8
149.13234	5.0
151.07550	0.7
151.11191	1.3
151.14825	0.4
153.05486	0.6
153.12743	0.6
155.07471	0.3
155.08449	1.3
155.10576	0.5
156.07764	0.3
156.09280	0.6
157.04988	0.7
157.10101	5.3
158.10782	0.5
159.08076	0.9
159.10344	0.7
159.11671	12.0
160.09695	0.3
160.12067	0.4
161.09602	2.1
161.13235	8.3
163.03903	0.6
163.06073	0.4
163.07544	0.6
163.11197	1.4
163.14751	1.9
165.05557	0.3
165.09145	0.8
165.12711	0.5
167.07047	0.6
169.04987	0.3
169.10097	1.9
170.10800	0.4
171.06529	0.8
171.07924	0.3
171.11655	4.8
172.12262	0.3
173.09659	0.9
173.13239	6.9
175.03809	0.6
175.07576	0.3
175.11139	1.5
175.14798	4.9
176.95700	0.3
177.05492	0.9
177.09123	0.6
177.12753	1.2
177.16350	2.0
179.10696	1.0
179.14313	0.7
181.10159	0.5
182.10800	0.4
183.11682	2.5
185.09654	0.5
185.13219	4.3
187.11215	0.8
187.14801	5.5
188.15254	0.3
189.12738	1.2
189.16360	2.8
191.10675	1.1
191.14320	0.9
191.17923	0.8
193.15875	0.5
195.11726	1.1
197.13205	2.5
199.11142	0.4
199.14822	3.0
201.12714	0.6
201.16344	4.0
202.16779	0.3
203.10695	0.3
203.14320	1.1
203.17981	1.2
205.12219	0.3
205.15865	1.6
207.06407	1.3
207.11656	0.3
207.13545	0.4
207.17465	0.4
208.09825	0.3
209.13283	1.1
211.11235	0.3
211.14754	2.2
213.12788	0.4
213.16344	2.8
214.16876	0.3
215.10745	0.4
215.14319	0.7
215.17876	2.1
215.19641	0.3
217.12315	0.4
217.15924	1.2
219.13852	0.7
219.17471	1.0
221.13333	0.4
223.14844	1.0
223.16835	0.3
225.07538	1.5
225.16344	1.4
227.14360	0.6
227.17862	1.5
229.12267	0.3
229.15785	0.5
229.19562	0.5
231.13712	0.7
231.17404	0.8
233.15410	1.1
233.18993	0.7
235.14816	0.4
235.16963	0.6
237.16389	0.8
239.17984	0.9
241.15831	0.4
241.19563	1.0
243.06407	0.3
243.08775	0.9
243.17415	0.8
243.21205	0.4
245.15276	0.6
245.18982	0.6
247.16888	2.1
251.17986	0.8
253.15744	0.4
253.19574	1.6
255.17494	0.7
255.21201	0.6
257.15637	0.4
257.19016	0.7
259.16992	0.5
259.20493	0.7
261.09763	0.6
261.18500	0.5
265.19434	0.4
267.17432	0.4
267.21078	0.9
269.19049	0.3
269.22571	0.3
271.16995	0.4
271.20547	0.9
273.18512	1.5
273.22101	0.6
275.20023	0.4
277.19464	0.5
279.10904	0.8
279.21176	0.5
281.22751	0.6
283.20657	0.7
285.18625	0.5
285.22202	0.7
287.20035	0.7
295.20596	0.5
297.22189	0.5
301.21625	0.9
305.22476	0.3
307.24301	0.3
309.22095	0.4
311.23734	0.5
313.21637	1.3
315.23190	0.7
323.23679	0.4
323.27173	0.3
327.23242	0.7
339.26859	0.4
341.24567	0.3
349.25156	0.4
351.26807	0.3
353.24640	0.5
353.28467	1.2
355.26465	0.4
359.25861	0.4
365.28427	0.5
367.26208	0.7
367.30112	0.8
369.27911	0.4
371.25604	0.4
377.28345	0.7
381.31668	0.4
383.29401	1.1
385.27423	0.3
393.31519	0.9
395.29205	3.3
399.28998	0.6
405.31512	0.9
407.33136	0.9
411.32858	0.6
413.30350	3.3
414.31079	0.4
417.30374	1.8
423.32578	2.2
425.34171	0.4
435.32532	4.5
437.34198	0.9
441.33679	2.6
453.33563	11.8
454.34106	0.8
455.35135	2.8
456.35556	0.3
459.33627	0.4
471.34662	18.3
472.34909	2.0
473.36240	3.5
489.35681	100.0
490.36044	10.5
491.36615	0.3
507.36710	2.5
508.37454	0.4
549.35779	0.3
581.38550	0.6
603.38837	2.3
605.40472	3.7
606.40686	0.5
621.39880	43.8
622.29877	0.4
622.40161	4.9
635.41449	0.5
639.40869	0.6
651.37317	0.4
749.44562	3.2
750.43719	0.5
767.45477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4662
Annotation	Linckoside D
Peak:m/z	Relative Intensity
55.01865	2.5
55.05260	0.6
55.05502	6.5
57.03149	0.7
57.03425	12.0
57.07058	1.3
59.04987	1.5
61.02918	4.7
65.03916	1.0
67.05492	10.9
69.03416	11.8
69.07059	6.3
70.06575	0.6
71.01330	2.5
71.04982	19.5
72.05297	0.5
73.02904	19.4
73.06522	0.9
74.81522	0.4
75.04466	22.8
77.67220	0.5
79.05477	8.3
81.03397	3.4
81.07043	17.1
83.04967	10.3
83.08598	3.8
85.02890	30.3
85.06528	1.9
86.03211	0.6
87.04455	2.0
91.03933	1.8
91.05461	8.6
92.05827	0.4
93.07030	15.3
95.04959	3.9
95.08590	16.4
97.02876	10.0
97.06511	2.8
97.10142	2.5
99.04443	4.3
99.08062	1.8
101.02413	0.5
101.04899	0.3
101.06011	2.5
103.03941	0.4
103.05457	1.2
105.07011	15.9
107.04944	2.2
107.08574	18.5
108.08815	0.4
109.02853	1.5
109.06506	3.0
109.10140	16.0
110.10458	0.5
111.04421	7.7
111.08041	2.2
111.11721	0.5
113.05973	0.9
115.03920	6.0
115.05446	0.8
117.05473	1.2
117.07003	3.6
119.04927	0.8
119.07709	0.9
119.08564	17.8
121.06481	3.3
121.10121	15.6
123.04417	1.0
123.08066	4.1
123.11684	8.5
125.05981	0.6
125.09608	5.8
127.03894	2.6
127.11168	4.0
128.06236	0.7
129.05469	6.6
129.06961	3.0
131.04915	0.8
131.08542	9.2
133.04948	2.5
133.06523	0.9
133.10101	17.7
135.08038	2.7
135.11673	7.8
137.06000	0.6
137.09604	4.2
137.13260	1.4
138.09897	0.4
139.03885	1.0
139.07509	0.9
139.11162	1.1
141.06924	0.6
141.12701	1.5
142.07765	1.4
143.08574	3.6
143.10632	4.6
145.04904	0.9
145.06467	1.7
145.10101	13.0
146.10460	0.9
147.04384	1.8
147.06488	3.2
147.08012	1.9
147.11647	9.4
148.12073	0.7
149.05931	0.7
149.09604	2.9
149.13225	5.8
151.03967	0.5
151.07483	0.5
151.11157	1.4
151.14867	0.5
153.09109	0.5
153.12708	0.6
155.08513	2.1
157.04999	0.8
157.10088	7.1
159.08044	1.2
159.11664	12.4
161.09602	2.6
161.13239	9.3
163.03880	0.8
163.06044	1.0
163.11180	1.6
163.14810	2.3
165.09096	1.0
165.12732	1.8
167.08505	0.7
167.10689	0.6
169.10083	2.5
171.06540	0.9
171.07999	0.7
171.11691	5.4
172.12251	0.4
173.04474	0.5
173.09621	1.8
173.13229	8.6
175.11163	1.3
175.14780	5.9
177.05502	1.1
177.09035	1.0
177.12714	1.8
177.15080	0.4
177.16405	1.9
179.08430	0.4
179.10666	1.2
179.14267	1.1
181.05035	0.4
181.10107	1.0
183.11685	2.8
185.09581	0.6
185.13234	4.4
187.11148	0.7
187.14758	6.1
189.12761	1.4
189.16377	3.2
191.10641	1.0
191.14294	1.2
191.17952	1.1
193.12135	1.0
195.11678	1.3
195.13721	0.4
197.13258	3.4
199.11124	0.6
199.14799	3.6
201.12776	1.5
201.16325	4.9
203.10669	0.5
203.14296	1.6
203.17969	1.2
205.12187	0.6
205.15845	1.7
207.06419	0.8
207.17479	0.8
209.13239	1.9
211.14848	3.1
213.12750	1.0
213.16350	3.2
215.10605	0.5
215.14345	1.4
215.17955	2.2
217.15831	1.1
217.19435	0.5
219.13771	0.7
219.17529	0.8
221.13362	0.5
223.14767	1.1
225.07582	1.1
225.12698	0.5
225.16435	1.4
227.14421	0.8
227.17957	1.7
229.14156	0.7
229.19530	0.6
231.13867	0.8
231.17491	1.0
233.15343	1.0
237.16348	1.4
239.17868	1.4
241.15910	0.6
241.19464	1.4
243.08611	1.2
243.13815	0.7
243.17519	1.0
245.15433	1.3
245.19061	0.6
247.16931	1.8
251.17993	1.3
253.19485	1.2
255.17441	1.0
257.19037	0.5
259.16766	0.5
259.20483	1.2
261.09583	0.6
262.53384	0.4
265.19440	0.9
267.15918	0.4
267.21033	1.2
271.16840	0.5
271.20636	0.9
273.18503	1.6
273.22061	0.7
281.22504	0.6
283.20502	1.3
285.22055	0.7
287.19992	0.6
289.21710	0.6
293.22516	0.7
295.20578	0.6
297.22104	0.9
301.21606	1.4
307.23999	0.7
309.21921	0.6
313.21698	1.8
327.23120	0.9
341.24835	0.6
351.23096	0.6
353.28369	1.4
365.28632	0.7
367.30023	0.5
369.24191	1.2
377.28473	0.9
383.29428	1.5
387.25162	0.6
393.31537	1.7
395.29303	4.2
405.31555	0.6
407.33063	0.9
411.32483	1.0
412.24423	0.5
413.30475	3.5
417.31525	1.2
423.32166	2.4
425.34384	0.5
435.32538	5.2
441.33536	2.8
443.27911	3.3
453.33582	11.2
454.34177	1.0
455.35062	1.4
461.28912	12.3
462.29306	1.6
471.34625	19.0
472.34958	1.6
473.36261	2.2
485.28802	2.1
489.35693	100.0
490.35959	9.2
503.29938	2.2
507.36691	1.2
569.31073	0.8
585.37823	0.5
587.32080	1.1
603.38800	4.4
604.39203	0.4
605.40601	2.5
621.39874	40.1
622.40320	3.9
639.40869	1.1
730.88159	0.4
749.44415	1.5
767.46057	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05504	11.2
57.03432	9.1
57.07054	1.5
59.04975	0.7
61.02920	24.7
65.03932	2.0
67.05498	25.8
69.03422	14.8
69.07061	10.6
71.01332	1.5
71.04987	7.7
71.19362	1.2
73.02905	13.1
73.06557	0.6
75.04455	1.3
77.03916	0.6
79.05485	21.6
81.03423	5.1
81.07047	29.1
83.01350	0.6
83.04968	3.7
83.08610	9.5
83.77436	0.5
85.02895	45.1
85.06516	2.3
87.04449	1.8
88.68365	0.5
91.03944	14.4
91.05470	26.4
93.07034	23.9
95.04940	5.2
95.08599	20.2
97.02884	23.6
97.06527	4.2
97.10143	2.8
99.04425	2.5
99.08087	1.5
101.02378	0.9
101.06003	0.6
103.03937	0.5
103.05442	2.0
105.07021	25.0
107.04946	3.6
107.08579	17.1
109.02859	3.1
109.06508	3.8
109.10141	14.4
111.04422	0.8
111.08083	3.2
115.03917	4.3
115.05450	2.4
116.06124	0.5
117.07004	17.4
119.04949	1.3
119.08566	17.6
121.06483	3.9
121.10123	12.5
123.08009	2.9
123.11699	5.3
125.09611	4.0
127.03893	11.4
127.11177	2.3
128.06209	4.3
129.05437	1.6
129.06992	20.1
129.07953	1.1
130.07750	1.1
131.04875	1.7
131.08551	25.2
132.08900	0.6
133.04927	1.9
133.06479	3.3
133.10115	15.8
135.08054	4.0
135.11667	9.7
137.06029	0.7
137.09589	2.3
137.13246	2.2
139.07555	0.6
139.11171	1.5
141.06976	8.7
141.12767	0.7
142.07742	2.2
143.08553	19.0
143.10620	3.1
145.04944	9.3
145.06459	5.1
145.10106	16.3
145.11220	1.2
147.06735	0.9
147.08028	5.0
147.11676	8.1
149.09627	3.9
149.13281	3.7
151.11168	1.1
153.07011	1.4
154.07784	1.5
155.08528	15.7
156.09247	0.6
157.06502	2.4
157.10091	11.8
158.10626	0.6
159.08028	3.6
159.11684	11.6
161.09587	3.0
161.13281	4.7
163.05962	3.6
163.07291	0.6
163.11172	2.0
163.14786	2.5
165.06993	1.8
165.09161	0.8
166.07751	0.8
167.08514	5.1
169.10103	10.1
171.08026	2.3
171.11656	9.0
173.09560	2.9
173.13237	5.3
175.09763	1.0
175.11116	3.6
175.14835	2.2
177.09068	0.7
177.12747	2.3
177.16393	2.0
178.07784	1.1
179.08546	3.4
179.10794	0.7
179.14290	1.1
180.09364	0.6
181.10091	7.7
182.10913	0.9
183.08058	1.6
183.11679	8.2
185.09592	2.3
185.13228	6.9
187.11217	2.0
187.14812	2.6
189.11194	0.6
189.12740	1.3
189.16389	2.6
191.08534	0.6
191.14264	1.2
191.17949	1.4
193.10138	3.8
193.11909	0.8
195.11655	7.7
195.13300	0.8
197.09503	0.9
197.13254	5.9
199.11157	1.9
199.14827	3.8
201.12704	1.7
201.16386	2.2
203.14337	1.8
203.17905	2.1
205.10056	1.4
205.12135	1.1
205.15984	1.1
207.11737	3.4
207.13567	0.8
209.13255	5.1
211.11217	1.4
211.14809	3.9
213.12721	2.5
213.16356	2.6
215.14453	3.4
215.17850	1.1
217.12357	0.9
217.15862	1.5
217.19594	1.2
219.11670	1.5
219.13805	1.2
220.12483	0.7
221.13252	6.2
223.11235	0.9
223.14893	4.6
225.12773	1.8
225.16391	1.8
227.14343	2.0
227.17914	1.1
229.15915	2.2
229.19530	0.7
231.17381	1.3
233.13245	1.8
233.15343	1.1
235.14900	3.1
235.16852	0.7
237.12703	0.9
237.16452	1.7
239.14282	3.5
239.18045	0.8
241.15916	1.9
243.13824	0.7
243.17479	1.1
245.15440	1.3
245.18982	0.6
247.16992	0.9
249.16458	1.4
251.14209	0.7
253.16048	2.7
255.17413	0.8
255.21150	0.6
257.15378	2.3
257.19113	0.6
259.17014	1.6
267.17398	1.5
271.16901	2.2
275.16721	0.7
281.15237	0.8
283.16977	0.8
285.18362	0.9
301.21503	0.8
304.56946	0.7
305.22583	1.5
313.25336	1.3
323.23642	4.0
333.22098	8.4
341.24698	5.1
351.23145	25.4
351.27368	1.4
369.24188	18.3
369.28775	1.0
370.24738	0.6
387.25226	10.8
389.24814	1.4
395.33093	1.2
405.26312	0.6
409.35046	0.9
415.28326	0.9
419.33084	1.3
425.26816	8.3
433.29483	2.4
437.34158	4.6
443.27899	100.0
444.28241	3.1
453.33698	1.0
455.35220	16.4
461.28952	71.6
462.29172	2.0
471.34641	0.9
473.36212	33.8
474.36942	0.9
485.29019	1.6
489.35602	5.4
491.37238	3.3
503.29733	1.9
509.28857	0.7
513.28796	0.6
551.29877	1.5
557.31360	0.6
569.31116	1.8
587.31702	1.4
587.40076	1.3
605.32794	2.1
605.40918	13.1
621.39636	2.5
623.34143	3.0
624.54828	0.7
767.45752	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	783.4874
Annotation	Polysciasoside A
Peak:m/z	Relative Intensity
55.01858	1.3
55.05257	0.5
55.05502	5.5
57.03145	0.6
57.03427	12.3
57.07079	1.5
59.04995	1.5
61.02917	1.9
63.54033	0.3
65.03931	0.9
67.05495	5.6
69.03418	7.1
69.07052	4.2
69.67333	1.5
69.67761	1.2
71.01337	1.9
71.04980	70.2
72.05315	1.1
73.02905	5.0
73.06536	0.9
73.45933	0.3
75.04466	5.9
79.05483	4.3
81.03412	3.2
81.07046	11.3
83.04965	9.6
83.08604	3.1
84.05277	0.4
85.02892	100.0
86.03212	1.7
86.06059	0.4
87.03329	0.3
87.04453	3.3
89.06024	0.4
91.03923	0.5
91.05463	4.5
93.07028	10.2
94.07358	0.4
95.04954	1.8
95.08595	16.6
96.08935	0.5
97.02876	7.2
97.06516	1.4
97.10162	2.7
98.20741	0.7
99.04440	3.2
99.08076	4.5
101.06013	1.1
103.03928	1.2
103.05460	0.6
105.07020	7.8
105.07710	0.5
107.04951	0.8
107.08576	24.6
108.08890	0.6
108.76031	0.3
109.02859	2.1
109.06511	1.8
109.09382	0.6
109.10139	12.6
111.04426	6.3
111.05139	0.5
111.08074	1.2
111.11697	0.4
113.06021	0.4
113.09666	0.3
114.09126	0.3
115.03948	0.4
115.05463	0.5
117.05467	2.2
117.07031	0.9
119.08566	9.9
120.08884	0.7
121.06513	1.0
121.10128	17.4
122.10469	0.6
123.08079	0.9
123.11683	6.1
125.05978	0.9
125.09609	11.8
127.03908	5.1
127.07544	1.4
127.11172	2.6
128.04213	0.4
129.05460	26.7
130.05832	0.5
130.08643	0.8
131.08551	3.2
133.06480	0.3
133.10107	9.2
135.04419	0.5
135.08025	6.4
135.11665	11.7
136.11986	0.4
137.05907	0.6
137.09578	2.7
137.13214	2.2
139.03902	0.5
139.11191	1.3
143.08569	1.0
143.10651	16.0
144.11026	0.3
145.04913	2.6
145.10092	9.0
147.06500	11.1
147.11665	7.2
148.12042	0.5
149.06035	0.5
149.09595	10.7
149.13220	4.3
151.03850	0.3
151.11151	1.6
153.12776	0.4
155.08607	0.5
157.10123	2.5
157.55159	0.3
158.10649	0.4
159.08057	0.5
159.11679	7.0
160.12271	0.4
161.09619	1.1
161.13239	4.4
163.06038	2.1
163.07263	0.4
163.11205	1.0
163.14832	3.0
165.05466	0.4
165.07500	0.4
165.12761	0.8
167.10710	1.2
167.14314	0.4
169.10103	0.6
171.06590	0.5
171.11661	2.1
172.12161	0.3
173.09607	0.3
173.13269	3.5
175.05994	0.4
175.11180	0.7
175.14793	3.4
177.05441	0.3
177.12761	0.4
177.16403	1.3
179.14404	0.3
183.11702	0.8
185.13202	1.7
187.14781	5.1
189.16371	4.9
191.14290	1.2
191.17915	24.5
192.18288	0.5
193.12277	0.4
197.13255	1.1
199.14838	2.3
201.16356	5.3
203.14290	0.6
203.17935	4.1
205.15852	0.9
205.19505	0.4
207.06464	0.6
207.17465	1.3
209.13647	0.4
209.15373	1.8
211.14873	0.6
213.16374	3.1
214.16934	0.5
215.14346	0.7
215.17909	2.7
217.10715	0.4
217.15845	4.8
217.19406	2.8
219.17369	1.0
220.36043	0.4
223.15073	0.4
225.16402	0.6
227.17996	1.4
229.15958	0.7
229.19473	0.8
231.08690	0.4
231.17407	5.7
231.21002	0.5
233.15318	2.8
233.19005	0.7
235.16895	2.3
239.17957	0.4
241.19540	0.5
243.17433	0.7
243.21037	0.6
245.18907	0.7
249.18443	2.8
253.19617	0.6
255.08527	1.0
255.21059	1.3
257.19147	0.5
257.22650	1.6
259.20636	0.5
267.21054	0.5
269.22757	0.5
271.20648	0.4
273.09744	0.9
273.22311	0.4
281.22629	0.7
285.22205	0.6
291.10791	0.6
295.24100	0.4
297.25729	0.4
299.23795	0.8
305.24835	0.6
309.11783	1.0
311.23709	0.6
311.27032	0.3
315.22974	0.4
315.26617	0.5
317.24518	0.3
323.27249	0.6
335.27328	0.7
341.28394	1.6
343.26639	0.4
349.28851	0.3
351.26862	0.4
351.30600	1.0
353.28387	0.6
359.14859	0.4
359.29196	0.5
369.31506	0.8
397.35016	0.4
403.33719	1.3
421.34601	17.4
422.35019	1.3
437.34091	0.5
438.34653	0.6
439.35648	39.5
440.36087	2.5
455.35336	0.7
456.35764	1.2
457.36636	10.0
458.37552	0.5
473.36191	0.6
474.36551	0.8
475.36948	1.6
487.34271	0.4
602.23480	0.4
619.41852	3.4
636.41522	0.4
637.42401	0.8
707.43921	0.4
747.46796	3.6
765.47693	42.5
766.47803	4.2
783.48047	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	783.4873
Annotation	Polysciasoside A
Peak:m/z	Relative Intensity
55.01858	1.9
55.05496	6.3
57.03427	11.8
57.07065	2.0
59.04977	1.4
61.02911	2.5
65.03922	1.4
67.05495	11.0
69.03416	8.7
69.07051	6.0
69.89929	4.7
71.01348	1.7
71.04979	70.8
72.05305	1.2
73.02901	4.6
73.06539	1.0
75.04467	5.5
79.05475	7.3
81.03389	4.0
81.07041	16.7
82.07404	0.8
83.04967	12.2
83.08606	4.2
85.02889	100.0
86.03223	2.3
86.06052	1.1
86.09682	0.8
87.04453	3.4
91.05460	7.5
92.05752	0.7
93.07027	12.9
94.07413	0.8
95.04945	3.8
95.08585	18.5
97.02890	7.4
97.06496	2.1
97.10165	3.4
98.20722	0.7
99.04452	3.1
99.08076	4.2
101.06040	0.7
105.07018	9.6
107.04967	1.7
107.08574	24.3
108.08935	1.0
109.02854	1.1
109.06515	2.3
109.10138	19.3
110.10479	0.9
111.04433	6.5
111.08068	1.3
111.11709	1.0
113.05993	1.1
115.03854	1.0
116.10754	0.7
117.05492	1.8
117.06977	1.6
119.04939	0.9
119.08566	12.5
121.06514	1.9
121.09258	1.4
121.10123	19.7
121.10964	1.3
122.10436	0.6
123.04440	0.9
123.08026	1.4
123.11681	6.8
125.06001	0.7
125.09605	12.8
127.03912	5.2
127.07538	2.3
127.11156	2.5
129.05461	27.2
129.07001	1.3
130.05774	0.6
131.08525	5.1
133.10098	10.4
135.08051	5.8
135.11670	11.0
137.05911	1.2
137.09584	4.3
137.13246	1.7
139.11162	1.3
143.08568	2.6
143.10646	19.6
143.11720	1.2
144.09323	0.8
144.11012	0.8
145.04973	2.8
145.10100	8.5
147.04393	2.5
147.06494	12.5
147.08076	1.0
147.11647	7.5
148.12056	0.6
149.09607	10.4
149.13235	5.7
151.03792	0.7
151.11189	2.2
153.12717	0.8
155.08568	0.7
157.10120	3.1
159.11653	7.3
160.11995	0.8
161.09608	1.2
161.13239	5.8
163.03909	0.9
163.06021	1.8
163.07486	0.7
163.11154	1.1
163.14830	2.7
165.12773	1.5
167.10643	1.0
169.10060	0.9
171.06511	1.3
171.11673	2.5
173.11809	1.3
173.13263	5.1
174.96872	0.6
175.11140	1.0
175.14790	3.0
177.16415	2.3
179.14247	0.8
183.06557	0.8
183.11682	1.4
184.07416	1.0
185.13297	2.0
187.11240	0.9
187.14809	5.2
189.12712	0.9
189.16360	5.9
191.14307	2.2
191.17920	19.8
192.18317	1.7
197.13223	1.0
199.14705	3.2
201.16402	4.5
203.17894	5.5
205.15938	1.3
207.17488	1.7
211.14838	1.2
212.85638	0.7
213.16328	3.1
215.17891	3.1
217.15901	5.0
217.19466	2.2
219.17476	1.7
220.05362	0.6
227.17873	1.3
229.14378	2.5
229.19400	1.0
230.14677	1.1
231.17430	4.6
233.15417	3.7
233.19044	1.2
235.16989	1.6
239.09100	1.2
239.18204	0.7
249.18541	2.3
255.08546	0.9
255.21059	1.2
257.19073	0.9
257.22623	1.7
269.17386	1.0
270.17770	0.9
271.20502	0.7
273.09692	0.9
285.22293	0.8
299.24207	0.6
309.11929	1.1
317.24612	0.8
335.27078	0.8
341.28592	1.5
349.28781	1.0
351.30634	1.8
353.28534	0.9
369.27792	0.9
388.51688	0.7
397.30521	0.8
403.33688	0.8
419.33075	1.0
421.34613	14.5
422.35092	1.7
423.27466	2.3
424.27737	5.6
425.34195	1.4
437.33987	3.7
438.34641	1.0
439.35666	36.0
440.36050	3.3
455.35260	6.7
457.36661	9.1
458.37204	0.9
473.36157	10.0
474.36676	1.0
489.35834	1.0
491.31024	0.7
601.40637	1.5
619.41931	15.9
620.42004	1.9
747.46857	2.9
765.47705	35.3
766.48016	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	783.4863
Annotation	Polysciasoside A
Peak:m/z	Relative Intensity
55.01862	1.6
55.05502	5.1
57.03427	11.0
57.07070	2.2
59.04981	2.0
61.02910	2.0
65.03931	0.5
67.05489	6.0
69.03078	0.7
69.03420	8.8
69.07052	5.7
70.06590	0.5
70.43848	1.5
70.44270	0.6
71.01335	1.5
71.04979	69.6
72.05315	1.2
73.02897	5.5
73.06534	0.6
75.04469	5.6
79.05479	5.3
81.03400	3.1
81.07035	12.6
83.04966	11.9
83.08592	3.1
85.02889	100.0
86.03233	1.5
86.06051	0.9
87.04462	3.3
91.03942	0.9
91.05459	5.2
93.06486	0.8
93.07033	11.3
95.04946	2.2
95.08588	17.9
97.02871	7.9
97.06522	2.2
97.10158	3.4
99.04452	2.9
99.08075	4.4
101.06002	0.8
103.03931	1.5
105.07008	10.1
107.04952	0.5
107.08574	24.1
108.08881	0.6
109.02867	2.6
109.06487	2.1
109.10134	14.1
110.55503	0.4
111.04423	4.5
111.08073	1.0
111.11718	1.0
113.09637	0.5
115.03910	1.8
117.05431	1.3
117.06989	1.0
119.08554	11.7
120.08849	0.6
121.06462	1.6
121.10124	19.7
122.10397	0.7
123.04400	0.5
123.08069	2.4
123.11680	7.4
125.05961	0.8
125.09610	13.5
127.03889	5.2
127.07510	2.0
127.11160	2.5
129.05457	28.1
129.06947	1.1
130.07802	0.5
131.08537	4.0
133.04964	0.5
133.10107	10.2
134.10358	0.5
135.08025	6.1
135.11676	12.7
137.09592	10.1
137.13223	3.2
139.11147	1.4
141.09138	0.5
142.07722	0.6
143.08676	2.1
143.10652	17.6
144.10995	0.6
145.04938	4.1
145.10097	9.6
147.04332	0.5
147.06494	11.7
147.07837	0.8
147.11647	7.1
148.11958	0.5
149.09583	11.1
149.13219	5.8
151.11139	2.0
153.05443	0.5
153.12631	0.5
155.08517	0.6
157.10101	3.5
159.08012	0.5
159.11670	8.1
161.09561	1.8
161.13231	4.6
163.05975	1.8
163.11122	1.7
163.14818	3.1
165.07553	0.7
165.12717	0.7
167.10658	1.0
167.14256	0.9
169.04945	0.6
169.10086	1.1
171.11674	3.5
173.13228	4.6
175.11115	1.2
175.14812	3.6
177.12671	0.5
177.16335	2.4
179.14238	0.7
183.11642	1.1
185.13205	2.4
187.11232	0.5
187.14774	6.3
189.12706	0.6
189.16370	6.0
191.14282	1.2
191.17914	24.8
192.18301	0.6
195.11685	0.5
197.13171	0.9
199.14819	3.3
201.16333	5.4
203.14209	1.0
203.17888	5.2
205.15846	1.1
205.19458	0.6
205.50139	0.4
207.06490	0.5
207.17378	1.4
209.13307	0.5
209.15332	1.3
211.14786	1.2
213.16309	3.5
215.14288	0.7
215.17897	2.8
217.15863	6.1
217.19402	3.2
219.17360	1.2
221.15370	0.4
225.16290	0.7
227.17822	1.6
229.15854	0.8
229.19427	1.2
231.17366	6.3
231.20964	1.0
233.15324	3.2
233.18916	1.0
235.16833	2.8
237.07419	0.5
239.17772	0.8
241.19504	1.1
243.17416	0.6
243.20952	1.1
249.18430	3.0
250.58212	0.4
251.18051	0.7
253.19553	0.6
255.08583	1.1
255.21025	1.4
257.22534	1.9
259.20508	0.8
269.22513	0.7
273.09564	0.9
281.22366	0.8
285.21991	0.6
293.22424	0.5
297.21826	0.6
299.23572	0.9
309.11600	1.4
313.25189	0.5
315.26663	1.1
323.27243	0.7
325.25220	0.5
333.58029	0.5
335.27136	1.5
338.33615	0.4
341.28210	1.7
351.30414	2.1
357.24045	1.0
369.31476	0.7
383.29608	0.6
403.33145	1.2
421.34589	19.6
422.34821	1.1
439.35657	50.5
440.36050	4.3
450.81161	0.5
453.33594	3.2
455.34869	1.3
457.36722	13.4
458.37073	1.0
471.34735	3.3
472.34500	0.9
473.35712	1.6
487.33984	1.0
489.35776	6.2
585.40442	0.8
619.42010	13.4
620.41571	1.4
621.31287	0.5
677.42047	0.5
741.11804	0.5
747.46808	3.9
765.47675	37.6
766.47998	5.3
783.44025	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	783.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05500	5.3
57.03426	10.3
57.07058	1.4
59.04992	1.4
61.02912	1.6
64.57793	0.3
65.03933	1.1
67.05490	5.9
69.03415	7.6
69.06728	0.3
69.07058	3.7
69.67467	2.2
71.01019	0.2
71.01335	1.7
71.04977	68.7
72.05311	1.4
72.08144	0.3
73.02901	4.8
73.06535	0.8
75.04466	5.7
77.98455	0.3
79.05476	4.8
81.03394	3.4
81.07040	11.5
82.47155	0.2
83.04961	11.0
83.08604	2.9
85.02888	100.0
86.03209	2.5
86.16469	0.3
87.03283	0.4
87.04451	3.0
89.06030	0.3
91.05457	5.2
93.07021	9.6
94.07365	0.6
95.04961	2.6
95.08584	15.8
96.08900	0.7
97.02871	7.4
97.06490	1.7
97.10138	2.8
98.20673	0.5
99.04437	3.4
99.08067	4.5
101.06000	1.3
103.03931	1.1
103.05436	0.6
105.07005	8.3
106.07336	0.3
107.04943	1.0
107.08569	21.7
108.08891	0.7
109.02853	2.1
109.06504	1.4
109.10134	14.0
110.10503	0.4
111.04425	5.7
111.05130	0.5
111.08067	1.0
113.09699	0.4
114.09146	0.6
115.03923	0.4
117.05480	1.7
117.06291	0.3
117.07006	1.1
119.08549	10.7
119.09386	0.5
120.08890	0.5
121.06459	1.4
121.10119	16.8
121.18155	0.3
122.10452	0.7
123.04406	0.6
123.08086	1.3
123.11678	6.4
125.05988	0.7
125.09603	11.7
127.03885	5.0
127.07537	1.6
127.11167	2.5
129.05450	26.6
130.05809	0.8
130.07773	0.4
130.08655	0.9
131.08522	3.2
133.06525	0.3
133.10106	9.0
135.04475	0.3
135.08029	5.4
135.11664	10.8
136.12001	0.5
137.05937	0.6
137.09595	3.1
137.13211	2.2
138.13501	0.3
139.03891	0.5
139.11174	1.1
141.12704	0.3
143.08545	1.4
143.10648	16.1
144.10991	0.4
145.04933	3.2
145.06557	0.3
145.10086	9.0
146.10403	0.3
147.06494	10.5
147.08167	0.4
147.11661	6.9
149.05988	0.3
149.09590	9.7
149.13216	4.3
151.03857	0.5
151.11179	1.9
153.05411	0.3
153.12773	0.6
156.09192	0.3
157.10112	2.5
158.10660	0.3
159.11664	7.0
160.12082	0.5
161.09634	1.0
161.13231	4.9
162.13573	0.5
163.03920	0.4
163.06000	2.3
163.07211	0.4
163.11166	1.2
163.14816	2.8
165.12782	0.6
167.10609	0.7
167.14362	0.4
169.04890	0.4
169.10085	0.8
171.06467	0.4
171.11627	2.1
173.09535	0.3
173.13243	3.7
175.11159	0.8
175.14816	2.8
177.05510	0.4
177.12729	0.4
177.16306	1.5
179.14334	0.6
183.11673	0.8
185.13159	1.9
186.13657	0.5
187.11162	0.4
187.14786	5.0
187.16315	0.4
187.62341	0.3
188.15259	0.3
189.12755	0.8
189.16341	5.0
191.14272	1.1
191.17909	23.0
192.18304	0.8
193.12331	0.4
193.15863	0.5
193.19455	0.5
195.11646	0.3
197.13322	0.9
199.14775	2.4
201.16367	5.0
203.14294	0.6
203.17917	4.2
205.15916	1.0
207.06555	0.3
207.17415	1.2
209.13422	0.5
209.15222	1.4
211.13150	0.4
211.14902	0.6
213.07582	0.3
213.16287	2.6
214.16882	0.4
215.14322	0.8
215.17909	2.2
217.07228	0.3
217.10756	0.5
217.15846	5.3
217.19463	2.7
219.17444	1.1
219.21101	0.5
225.16380	0.6
227.17911	1.1
229.15877	0.7
229.19498	0.7
231.17400	4.9
231.21175	0.5
233.15326	2.8
233.18971	0.6
235.16916	2.1
237.07494	0.4
239.18004	0.4
241.19435	0.6
243.17407	0.7
243.21048	0.7
245.18964	0.6
247.16937	0.3
247.20688	0.3
249.18472	2.6
253.19510	0.7
255.08646	1.2
255.21158	0.6
257.22656	1.9
259.20670	0.3
267.21082	0.3
269.22662	0.6
271.20517	0.4
273.09708	0.9
273.22174	0.5
281.22693	0.6
283.20596	0.3
285.22113	0.7
287.23657	0.3
291.10681	0.5
297.22318	0.5
299.23676	0.9
305.24881	0.4
309.11716	0.7
311.23535	0.4
313.24982	0.6
315.26868	0.8
317.24600	0.4
323.27390	0.5
335.27393	1.1
341.28326	1.5
349.29062	0.5
351.26666	0.5
351.30499	1.4
353.28195	0.7
359.29208	0.4
369.31622	0.4
379.29990	0.4
397.34482	0.5
403.33484	1.1
421.34589	16.4
422.34964	0.9
437.34290	0.3
438.34579	0.6
439.35641	38.4
440.35791	2.2
455.35236	1.0
456.35638	1.5
457.36569	9.9
458.36719	0.4
473.36401	0.7
474.36673	1.3
475.36862	1.8
541.11267	0.4
567.40283	0.4
619.41980	3.0
620.42560	0.4
637.42114	1.3
747.46484	3.3
748.48187	0.4
765.47681	41.5
766.47864	3.9
783.48529	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	783.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
55.05502	8.8
57.03428	16.1
57.07056	1.4
59.04988	2.7
61.02915	3.8
65.03944	0.8
67.05489	11.3
69.03036	0.7
69.03415	11.9
69.07063	7.1
70.06582	0.9
70.75880	0.5
71.01347	3.7
71.04978	74.7
73.02902	25.6
74.09709	0.6
75.04462	6.4
79.05480	8.4
81.03386	2.8
81.07041	16.6
83.04965	26.0
83.08604	2.9
85.02888	100.0
85.06522	2.0
86.03215	0.6
86.09723	0.7
87.04457	3.6
91.03967	0.6
91.05460	9.9
93.07021	15.9
95.04955	7.1
95.08591	20.9
97.02874	11.1
97.03459	1.0
97.06509	5.6
97.10145	2.2
99.04430	3.5
99.08064	1.7
101.05933	0.6
103.03931	1.4
105.07004	19.9
107.04975	1.6
107.08569	20.2
109.02859	2.0
109.06477	3.8
109.10134	15.5
111.04428	7.3
111.08057	6.6
113.05990	5.5
113.09637	1.7
114.09188	0.8
115.03908	11.6
115.05442	0.8
117.05508	0.8
117.06992	3.6
119.04922	1.0
119.08565	17.5
121.06487	4.5
121.10123	14.2
123.04471	0.9
123.08045	13.0
123.08870	1.1
123.11688	6.0
123.79930	0.7
125.05982	1.1
125.09610	6.3
127.03919	2.5
127.11159	2.2
128.06189	0.7
129.05458	21.9
129.06880	2.8
131.08542	11.4
133.04948	4.1
133.06465	1.5
133.10101	17.7
133.11110	0.7
135.08032	3.5
135.11674	8.5
137.05963	2.2
137.09589	37.7
137.13200	1.2
139.03909	1.1
139.07532	0.7
139.11214	1.4
141.06927	1.6
141.09073	7.5
142.07765	1.2
143.08537	7.8
143.10617	4.9
145.04893	0.9
145.06499	1.4
145.10095	18.0
145.11195	0.9
147.04408	2.4
147.06509	8.0
147.08003	1.9
147.11668	12.8
149.09604	3.6
149.13239	7.1
151.11169	2.3
153.05441	1.2
153.09091	0.7
155.08505	4.1
156.09418	0.8
157.04942	1.4
157.10112	11.0
158.10698	0.6
159.08095	3.2
159.10191	3.3
159.11685	14.4
161.09619	3.6
161.13232	9.7
163.03893	1.2
163.06145	0.7
163.11200	3.2
163.14813	1.8
165.07687	0.6
165.09116	1.6
165.12775	0.9
167.08551	1.0
167.10751	0.8
169.05052	0.6
169.10106	5.8
170.10933	1.0
171.06508	1.7
171.07951	1.1
171.11650	9.3
173.09624	3.0
173.13226	9.8
175.11201	2.6
175.14784	5.3
177.05458	0.9
177.09105	1.3
177.12772	2.5
177.16356	3.0
179.10643	3.6
179.14302	0.9
181.10103	2.3
182.10806	0.7
183.11629	5.7
184.07336	0.9
185.09596	0.9
185.13235	6.8
187.11215	2.0
187.14777	5.8
189.09146	0.6
189.12746	2.1
189.16364	4.7
191.10677	0.9
191.14314	1.6
191.17924	0.9
193.10146	1.0
193.12155	1.2
195.11693	3.6
197.09645	0.6
197.13225	5.6
198.13942	0.8
199.11208	2.2
199.14787	6.8
201.12695	2.0
201.16368	8.5
203.10704	0.8
203.14270	2.1
203.17879	1.6
205.15836	3.0
207.11815	0.9
207.17415	1.0
209.13234	4.0
211.11270	1.0
211.14835	4.0
213.12794	1.6
213.16220	3.5
215.14326	2.4
215.17981	1.9
217.15849	1.5
217.19572	0.7
219.11684	0.7
219.13760	1.4
219.17372	0.8
221.13266	1.4
223.14822	2.6
225.07535	4.1
225.16273	2.8
227.14407	1.4
227.17943	2.2
229.12196	1.2
229.15952	1.2
230.16238	1.1
231.13780	0.9
231.17386	1.2
233.13426	0.7
233.15469	0.9
235.14836	1.6
237.12549	0.8
237.16377	2.4
239.14333	0.7
239.17995	2.7
241.15826	1.2
241.19452	5.8
243.08615	3.5
243.17412	0.7
243.21075	0.7
245.15382	1.2
245.18896	0.7
247.16986	0.8
249.16386	1.6
251.17891	4.2
253.15889	1.3
253.19640	2.3
255.17494	0.9
255.21062	1.0
257.19016	1.0
259.20584	6.0
261.09705	1.5
263.17938	0.9
265.19409	1.1
267.21060	1.3
269.18942	2.4
271.16891	1.2
271.20444	1.2
277.19476	1.6
279.10889	2.0
279.18048	0.7
279.21054	3.8
281.19443	1.0
281.22501	4.9
283.16925	0.9
283.20328	0.9
287.20157	1.2
291.20959	4.3
293.19205	0.8
293.22574	1.5
295.20615	0.9
297.18628	1.4
297.22134	3.0
299.20258	1.1
299.23703	2.5
305.22372	0.7
307.20514	1.3
309.22116	7.8
309.25443	1.2
311.20221	0.8
311.23749	1.5
312.06744	0.7
313.21698	0.8
315.19449	1.9
315.22867	0.9
319.24188	1.4
321.22028	1.0
321.25601	0.8
323.23825	1.0
327.23114	2.7
329.21100	0.8
329.24890	0.7
335.23547	1.0
337.21552	1.0
337.25235	2.8
339.26718	1.4
341.24713	0.8
347.23770	1.8
355.22430	0.8
357.24365	0.8
361.25110	0.8
363.26755	2.0
365.24445	2.7
365.28751	0.8
369.24179	1.4
375.26501	1.0
379.26141	1.2
381.27884	3.3
383.25623	1.4
387.25433	0.7
393.27682	3.1
395.29483	0.8
399.28802	1.2
405.31607	1.2
411.28769	4.0
415.29926	1.1
421.30716	3.0
423.32614	7.0
433.30893	6.9
435.32492	1.3
439.31616	3.8
441.33710	1.5
449.30115	0.6
451.32013	28.6
453.33914	1.5
455.35098	2.1
457.32257	1.0
467.31668	0.7
469.33075	57.4
470.33688	1.6
471.34720	2.7
473.35852	3.2
485.32864	0.9
487.34125	39.7
488.34558	0.9
489.35419	1.4
505.35156	19.4
579.36847	0.7
601.37354	1.7
615.39136	1.8
619.38208	16.7
633.39777	3.5
637.39392	31.1
638.39612	1.1
651.40790	1.4
765.44049	10.6
783.45343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.451
Annotation	Madlongiside D
Peak:m/z	Relative Intensity
55.01860	3.1
55.05505	9.2
55.85918	0.7
57.03426	16.1
57.07069	1.1
59.04988	3.7
61.02921	5.9
67.05494	12.0
69.03423	16.6
69.07057	7.5
70.92397	2.2
71.01335	3.1
71.04984	66.5
73.02905	31.7
74.11105	0.8
75.04459	2.9
79.05479	9.9
81.03416	4.7
81.07045	17.7
81.43195	0.7
83.04967	34.9
83.05470	1.7
83.08605	3.2
85.02892	100.0
86.09645	0.9
87.04472	4.3
90.92300	0.8
91.03952	1.6
91.05457	10.8
93.07026	19.3
95.04964	6.9
95.08592	26.8
97.02874	17.5
97.06507	4.9
97.10162	2.6
99.04425	3.7
99.08078	1.8
99.09486	0.8
103.03962	1.2
103.05457	1.2
105.07014	20.7
107.04942	1.8
107.08578	21.4
107.09303	1.0
108.08914	1.0
109.02869	3.0
109.06501	6.0
109.09383	1.3
109.10138	20.0
111.04432	6.1
111.08057	6.1
113.05999	5.8
113.09644	2.2
115.03915	15.1
115.05389	1.0
117.06969	6.1
118.90841	0.9
119.04920	1.1
119.08563	20.5
121.06466	3.9
121.10131	17.9
122.07286	1.2
123.04422	1.0
123.08059	17.6
123.11698	5.4
123.43018	0.7
124.08456	0.9
125.09608	4.9
127.03902	5.8
127.11221	1.4
128.06261	0.8
129.05463	17.1
129.07025	2.3
131.08554	14.3
133.04939	5.3
133.06456	1.0
133.10114	20.0
135.08070	3.6
135.11653	11.2
137.05994	1.1
137.09595	67.4
137.13181	1.3
138.09962	1.0
139.03870	2.8
139.11214	1.4
141.06935	0.8
141.09093	7.7
142.07719	0.8
143.08542	8.3
143.10661	1.9
144.09340	1.1
145.04930	3.1
145.06456	0.9
145.10097	15.6
147.04430	3.2
147.06488	5.7
147.08031	2.2
147.11670	14.0
149.05954	0.8
149.09616	3.5
149.13225	7.7
151.11171	2.3
153.08990	0.9
155.08557	3.3
157.10092	12.3
158.10722	0.9
159.08049	2.9
159.10184	3.0
159.11684	15.7
161.09627	3.3
161.13261	12.1
163.05995	1.4
163.07458	1.3
163.11145	2.9
163.14796	2.5
165.09074	0.9
165.12794	1.6
167.10762	1.4
169.10129	5.1
171.06561	1.3
171.11656	9.1
173.09651	2.7
173.13226	8.0
175.11171	3.1
175.14832	5.9
175.40782	0.8
177.05417	0.9
177.09099	1.6
177.12721	2.6
177.16368	2.3
179.10631	4.7
179.14247	1.2
181.10147	2.5
182.10931	1.3
183.11684	7.2
185.13222	8.5
187.11230	2.4
187.14775	7.8
189.12737	3.0
189.16368	4.9
191.10431	0.8
191.14311	1.1
191.17906	2.3
193.12251	2.0
194.10913	1.0
195.11699	3.3
195.13654	0.9
197.09578	1.0
197.13194	4.5
199.11195	1.8
199.14766	6.9
201.12816	1.5
201.16386	9.0
203.14305	3.0
203.17941	2.3
205.15862	2.2
207.11682	1.0
207.13843	0.8
207.17520	1.3
208.66594	0.7
209.13235	2.8
211.14806	4.0
213.12764	2.5
213.16400	2.8
215.14371	2.4
215.17886	1.0
217.12276	1.2
217.15855	1.5
223.14848	2.2
225.07584	3.4
225.16373	3.5
227.14386	1.5
227.17964	2.3
229.12263	0.9
229.15894	2.4
231.13702	1.5
233.15427	0.9
235.14897	1.8
237.16380	2.4
239.17964	2.8
241.15833	1.0
241.19438	4.9
243.08606	2.4
243.17270	1.4
243.21056	1.1
245.15468	1.6
245.19110	0.9
249.16389	1.7
251.17928	3.9
253.19533	1.7
255.17278	1.6
255.21075	1.4
259.20599	5.1
261.09677	1.9
265.19470	1.0
267.20920	1.2
269.19003	2.9
269.22595	1.1
271.17053	1.5
271.20581	1.1
273.18433	1.0
277.19516	1.1
279.10641	1.6
279.21057	3.3
281.22565	4.2
287.20160	1.0
291.21063	4.0
293.22684	2.4
295.20493	1.2
297.22125	2.4
299.20367	1.0
299.23749	2.3
301.21671	1.2
307.20734	1.4
307.24167	1.1
309.22186	8.5
309.25476	1.3
311.23529	2.7
313.21732	1.0
315.19620	1.8
319.24182	2.0
323.23599	1.2
325.21637	1.0
327.23074	4.6
329.25040	1.2
335.23642	1.5
337.25296	2.3
339.23254	1.2
339.27005	1.3
345.25104	1.0
347.23615	1.2
349.25208	1.3
355.22546	1.4
355.26517	1.0
357.24179	1.4
363.26675	1.4
365.24673	2.8
365.28677	1.0
367.26248	1.6
373.23703	1.1
379.26160	1.1
381.27896	4.2
383.29547	1.0
393.27780	3.3
397.27426	1.0
399.28766	1.0
411.28992	2.5
421.30466	1.7
423.32394	5.6
433.30960	5.2
435.32382	2.6
439.31418	3.9
441.33594	1.1
451.32004	24.0
452.32297	1.5
453.33713	9.5
457.33258	2.8
459.27469	4.0
469.33087	52.3
470.33234	1.7
471.34705	10.7
487.34116	37.4
488.34558	1.6
489.35822	9.6
505.35144	32.3
506.35483	1.9
601.37128	2.1
603.38861	1.6
615.39056	2.0
619.38257	20.3
620.38599	1.6
633.39880	4.1
637.39325	53.1
637.93622	1.0
638.39923	2.8
651.41028	1.5
765.44092	12.3
783.45154	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	781.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05497	8.4
55.05750	0.6
57.03426	10.5
57.07071	2.7
59.04985	0.8
61.02910	2.8
65.03938	1.0
67.05490	10.5
69.03416	9.1
69.07053	11.5
70.01313	2.2
71.01347	1.7
71.04977	57.5
71.08605	0.4
72.05317	0.7
73.02898	3.9
75.04462	5.4
79.05473	6.3
81.03410	3.7
81.07040	17.8
83.04965	14.4
83.08606	3.8
85.02888	100.0
85.06509	0.6
86.06072	0.6
87.04462	3.2
91.03959	1.0
91.05457	6.6
93.07021	11.6
95.04951	2.5
95.08587	18.4
97.02865	9.9
97.03446	0.7
97.06504	2.2
97.10151	4.3
99.04446	3.0
99.08069	1.2
101.02388	0.7
101.06010	0.6
103.03934	1.2
103.05446	0.6
105.07011	11.5
107.04954	1.0
107.08572	21.1
107.32206	0.3
109.02851	3.0
109.06495	1.5
109.10135	25.6
111.04423	8.9
111.05141	0.7
111.08064	1.3
111.11700	0.9
113.09589	0.5
115.03883	0.7
117.05522	1.0
117.06959	2.2
119.07860	0.2
119.08556	15.0
121.06491	1.2
121.10120	15.5
121.30390	0.5
123.04414	1.0
123.08064	1.6
123.11683	12.5
125.05953	0.8
125.09595	5.2
127.03883	7.1
127.11160	0.4
128.06154	0.5
129.05452	32.8
129.07016	1.3
131.08533	5.2
133.06448	0.5
133.10100	12.0
135.04391	0.5
135.08052	2.3
135.11668	14.2
137.05898	0.7
137.09587	1.0
137.13237	6.3
139.03920	0.6
139.07497	0.6
139.11180	0.7
143.08514	3.1
143.10643	1.2
144.09311	0.4
145.04924	3.6
145.10091	8.3
147.04396	1.3
147.06490	12.0
147.07794	0.7
147.11653	7.0
149.09589	1.5
149.13222	5.7
151.07500	0.7
151.11147	0.5
151.14796	1.2
152.46341	0.4
153.09084	0.9
153.12726	0.6
155.07237	0.4
155.08521	1.3
156.09271	0.7
157.10103	4.2
158.10773	0.5
159.07930	0.5
159.11655	9.0
161.09534	1.3
161.13229	5.7
163.05977	1.2
163.07513	1.8
163.11143	1.0
163.14792	3.9
165.07646	0.8
165.09113	1.2
165.12726	0.9
167.08574	0.4
167.10695	0.5
169.04994	0.9
169.10107	1.7
171.06494	0.6
171.11647	3.8
172.12376	0.4
173.09555	0.5
173.13231	6.3
175.07593	0.5
175.11156	1.4
175.14786	3.5
177.09062	1.6
177.12715	1.2
177.16353	3.2
179.10657	1.1
179.14211	0.6
181.10121	0.7
183.11638	2.6
183.51004	0.3
185.09486	0.4
185.13237	3.4
187.11163	0.6
187.14784	5.3
189.09113	1.0
189.12718	0.8
189.16348	4.6
191.10638	1.3
191.14252	0.7
191.17897	6.1
193.12209	0.6
193.19652	0.4
197.13197	1.7
199.05995	0.4
199.14742	2.8
201.12709	0.5
201.16348	4.5
203.10545	0.7
203.14307	0.8
203.17935	4.5
205.15762	0.6
205.19461	1.4
207.13780	0.6
209.13257	0.9
211.14767	1.3
213.07559	0.6
213.12799	0.9
213.16342	2.9
215.14301	0.7
215.17888	2.1
217.12244	1.0
217.15852	0.5
217.19482	1.6
219.13715	1.1
219.20897	0.5
221.15329	1.0
223.14822	0.8
225.07599	0.5
225.16318	1.1
227.17967	1.1
229.12256	0.5
229.15854	1.0
229.19461	1.1
231.08551	0.5
231.13742	1.2
231.17332	0.5
231.20996	0.6
233.15305	1.6
235.16777	0.4
237.07413	0.6
237.16364	0.5
239.17914	1.0
241.15793	0.6
241.19386	1.0
243.21094	2.2
245.15424	2.3
247.16913	2.1
253.19521	1.1
255.08603	1.7
255.17384	0.8
255.21074	1.9
257.15579	0.4
257.18903	0.7
259.16800	0.6
265.19504	0.7
267.21097	0.6
269.22620	0.8
271.16751	0.6
271.20618	0.4
271.71060	0.4
273.09628	0.9
273.18314	0.7
273.21756	0.4
275.20050	0.7
279.20929	0.7
280.39438	0.4
281.22574	1.1
283.20685	0.6
283.24100	1.1
285.18582	0.6
285.22034	0.6
287.19965	0.6
293.22516	0.9
295.20514	1.0
295.24109	1.7
297.22113	0.8
299.19855	1.0
299.23297	0.6
301.21643	0.8
309.11636	1.4
309.25552	0.4
311.23526	1.1
311.27057	0.5
313.21542	1.1
313.25168	1.8
315.23145	2.6
316.23102	0.4
323.27252	0.4
329.24734	0.6
333.25241	0.3
337.25153	0.9
337.28754	0.4
339.26456	0.6
341.24615	0.5
341.28387	0.6
351.26642	0.7
355.26266	1.2
357.24142	1.1
367.26019	0.5
369.27716	5.7
373.27417	1.8
377.31772	1.5
381.27606	1.5
387.28876	1.1
391.28549	0.8
391.33264	1.3
395.33136	0.9
399.28799	0.6
401.31781	1.3
407.32800	1.3
409.34531	4.2
419.33060	5.7
421.34558	0.4
425.34082	0.6
435.32257	0.5
437.34076	18.9
438.34253	0.8
455.35144	8.6
456.35156	0.7
473.36166	3.6
492.27310	0.5
529.36334	0.5
547.37122	0.5
565.38403	0.4
583.39001	0.5
617.40338	3.1
635.41376	8.4
755.15057	0.4
763.46185	5.2
781.46930	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	781.4714
Annotation	Bryonioside G
Peak:m/z	Relative Intensity
55.01860	1.1
55.05501	8.9
56.57292	0.4
57.03426	12.3
57.07064	1.5
59.04992	0.8
61.02914	6.7
65.03905	0.9
67.05494	9.5
69.03410	3.6
69.07054	14.0
71.01336	1.5
71.04978	64.4
71.24007	0.9
72.05289	0.6
73.02903	4.2
75.04465	6.3
79.05478	7.5
81.03394	1.7
81.07043	18.6
83.04964	12.1
83.08610	3.5
85.02888	100.0
85.06519	1.0
86.03229	0.8
87.04469	2.7
91.03943	4.3
91.05460	6.3
93.07025	15.0
95.04966	2.1
95.08587	22.8
96.08910	0.4
97.02870	7.9
97.06527	1.8
97.10156	4.0
98.06055	0.4
99.04465	2.2
99.08052	1.9
101.02396	0.5
101.06005	0.9
103.03975	0.5
105.07008	12.7
105.24509	0.4
106.07422	0.4
107.04946	0.7
107.08569	22.5
109.02863	1.3
109.06473	2.2
109.10136	31.8
110.10467	0.6
111.04420	6.1
111.08059	1.3
111.11700	0.9
117.05497	0.5
117.06989	1.7
119.07713	0.8
119.08560	15.4
120.08893	0.7
121.06482	1.5
121.10120	16.6
123.08043	1.4
123.11681	16.8
125.05976	0.8
125.09600	6.0
125.13315	0.4
127.03902	3.5
127.07581	0.5
127.11160	0.7
129.05453	33.3
131.08549	5.8
133.06483	0.5
133.10101	12.3
135.08115	1.9
135.08955	0.5
135.11667	17.3
136.11946	0.4
137.09618	1.2
137.13225	7.8
139.07504	0.9
139.11151	0.5
142.07753	0.5
143.08553	3.7
143.10655	0.7
145.04930	2.4
145.06285	0.5
145.10091	9.3
147.04594	0.6
147.06500	12.2
147.07961	1.5
147.11652	9.1
149.09587	1.6
149.13237	7.1
151.07500	1.2
151.14789	1.1
153.09065	0.7
153.12720	0.7
155.08511	1.5
156.09239	0.8
157.10115	5.0
158.10901	0.7
159.08060	1.0
159.11656	9.0
161.09564	1.2
161.13226	6.3
162.27647	0.4
163.06017	1.1
163.07509	1.8
163.11150	0.9
163.14804	4.4
165.07579	0.6
165.09029	1.0
165.12700	0.5
167.10660	0.4
169.10120	1.2
171.06508	0.5
171.08002	0.4
171.11635	5.1
171.46881	0.4
173.09596	0.9
173.13210	6.0
175.11136	1.2
175.14778	4.7
177.09081	1.3
177.12801	0.9
177.16380	2.4
179.10625	0.9
179.14314	0.7
181.10114	0.7
182.10878	0.4
183.11612	2.0
185.13226	4.3
187.14807	7.4
187.16330	0.9
189.09138	1.1
189.12715	1.1
189.16301	5.0
191.10641	1.6
191.14276	1.2
191.17891	6.6
193.12367	0.5
195.11736	0.9
197.13216	2.4
199.11124	0.5
199.14764	3.4
201.12669	0.8
201.16388	4.7
203.10605	1.1
203.14339	0.8
203.17914	4.9
205.12114	0.8
205.15851	0.4
205.19530	0.8
207.17424	1.0
209.13219	1.0
211.14803	2.0
213.16330	2.6
215.14296	0.9
215.17827	2.1
217.12303	0.7
217.15938	0.6
217.19533	2.6
219.13802	1.3
219.21007	0.6
221.15375	0.5
223.14775	1.0
225.16318	1.6
227.14325	0.9
227.17888	1.7
229.15869	1.1
229.19466	1.8
231.13747	1.6
231.21190	0.5
233.15265	1.7
237.16393	0.7
239.17819	1.1
241.19412	1.5
243.17305	0.7
243.21120	2.5
245.15359	2.4
247.16809	3.4
253.19466	1.2
255.08577	0.8
255.17329	0.6
255.21040	2.0
257.18872	0.6
259.16913	0.8
261.18451	0.5
265.19522	0.6
267.21036	1.0
269.22559	1.4
271.16882	0.7
273.09772	0.6
273.18506	1.2
279.21008	0.8
281.22379	1.1
283.20499	0.6
283.24112	1.3
285.18341	1.0
287.19965	0.5
293.22507	1.4
295.24295	2.5
297.22086	0.6
297.25821	0.6
299.20071	0.8
299.23517	0.8
301.21408	1.3
309.11642	0.9
309.25620	0.9
311.23602	1.5
313.21414	1.9
313.25140	2.4
315.23120	3.4
318.10901	0.4
323.27237	0.5
325.21402	0.6
329.24420	0.7
331.25986	0.8
339.22986	0.5
339.26709	0.5
341.24448	0.5
351.26593	0.9
355.26227	1.9
357.24072	1.9
367.26135	0.8
369.27808	5.6
373.27094	1.7
377.31821	1.9
381.27826	1.4
387.28793	1.2
391.28650	0.8
391.33401	1.1
395.33136	0.8
399.28519	1.1
401.31863	0.6
407.33093	2.0
409.34576	5.2
412.70990	0.5
417.29736	0.5
419.33041	6.3
423.27332	2.1
425.33939	1.0
437.34088	24.4
438.34241	1.6
455.35132	13.2
456.35065	1.0
473.36118	6.5
491.88962	0.4
547.37793	1.0
617.32220	0.4
617.40302	5.1
635.41455	12.3
636.41211	0.8
763.46222	4.6
764.46350	0.5
781.46893	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	781.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05502	7.0
57.03429	10.4
57.06822	0.2
57.07053	1.6
59.05000	1.3
61.02921	2.5
65.03941	0.9
67.05492	7.9
67.49928	0.3
69.03415	6.6
69.07056	9.5
69.78942	0.3
70.06567	0.3
70.67544	1.0
71.01335	1.4
71.04980	57.7
71.08617	0.4
72.05322	0.4
73.02903	3.9
73.06539	0.5
74.09685	0.3
75.04467	5.4
79.05476	4.7
81.03414	2.6
81.07044	14.6
83.04967	12.7
83.08607	3.0
85.02891	100.0
85.06522	0.6
86.03223	0.4
86.06058	0.4
87.04456	2.8
91.03931	1.0
91.05466	5.6
93.07031	10.2
95.04971	2.3
95.08593	19.2
97.02878	7.6
97.06513	1.7
97.10160	3.2
99.04440	2.2
99.08060	1.3
101.06006	1.2
103.03908	1.1
103.05475	0.4
105.06314	0.5
105.07022	9.0
107.04918	0.6
107.08575	17.5
109.02834	1.6
109.06502	1.5
109.10140	24.2
110.10453	0.3
111.04423	6.8
111.08067	0.9
111.11694	0.8
113.05974	0.5
117.05476	1.7
117.06989	1.8
119.04925	0.5
119.08564	12.1
119.92800	0.3
121.06516	1.3
121.10124	14.1
123.04409	0.6
123.08053	1.3
123.11687	11.8
125.05985	0.5
125.09612	4.1
125.13280	0.3
127.03902	5.9
127.07573	0.4
127.11157	1.0
128.06158	0.4
129.05458	33.9
131.08539	5.3
133.06476	0.5
133.10109	10.0
135.08057	2.1
135.11668	12.0
136.11955	0.3
137.05952	0.6
137.09572	0.8
137.13235	5.6
139.03864	0.4
139.07515	0.7
139.11137	0.8
141.06967	0.4
142.07735	0.4
143.08542	2.6
143.10641	0.5
144.09241	0.4
145.04924	3.8
145.06413	0.5
145.10100	7.7
147.04529	1.8
147.06502	11.3
147.07800	0.5
147.10551	0.4
147.11664	6.8
149.05962	0.4
149.09615	1.9
149.12085	0.4
149.13237	6.4
151.07510	0.9
151.11162	0.8
151.14778	1.0
153.05409	0.3
153.09087	0.5
153.12663	0.5
155.08517	1.0
156.09276	0.4
157.10088	3.5
158.10721	0.3
159.08008	0.7
159.11661	6.4
161.09644	1.3
161.13231	5.0
163.03857	0.5
163.05981	2.1
163.07483	1.2
163.11104	0.8
163.14806	3.7
165.05533	0.3
165.07587	0.4
165.09058	0.8
165.12758	0.5
167.08467	0.3
169.04967	0.5
169.10139	1.3
171.06546	0.4
171.11647	3.3
173.09540	0.5
173.13226	4.2
175.11096	0.9
175.14799	3.1
177.05479	0.5
177.09087	1.0
177.12717	0.5
177.16356	2.3
179.10583	0.8
179.14252	0.4
179.17928	0.4
181.10051	0.5
181.12206	0.3
181.87746	0.4
183.11649	1.7
184.12505	0.3
185.13220	3.2
187.11160	0.7
187.13039	0.3
187.14777	5.7
189.09064	0.5
189.12720	0.5
189.16347	4.8
191.10583	1.1
191.14323	0.7
191.17926	5.8
193.12215	0.4
193.19479	0.6
195.11626	0.7
195.13557	0.3
197.13249	1.4
199.11098	0.3
199.14819	2.6
201.12657	0.6
201.16342	4.5
203.10582	0.4
203.14261	0.9
203.17914	3.9
205.12134	0.7
205.15836	0.5
205.19444	0.9
207.13641	0.6
207.17448	0.5
209.13177	0.8
209.15143	0.3
211.11275	0.3
211.14748	1.6
213.12637	0.4
213.16299	1.6
215.14357	0.6
215.17937	1.6
217.12125	0.6
217.15767	0.8
217.19392	1.4
219.13737	1.6
219.17265	0.4
223.14775	0.5
225.07558	0.3
225.16277	0.8
227.14284	0.5
227.17877	1.5
229.15773	1.1
229.19489	0.7
231.13733	1.2
231.17351	0.8
231.20982	0.4
233.15312	1.4
235.16945	0.4
237.07249	0.4
237.16356	0.4
239.17879	0.7
241.15848	0.7
241.19388	1.1
243.17392	0.3
243.20953	1.7
245.15388	2.4
247.16910	2.3
249.18504	0.5
251.17915	0.4
253.19376	1.1
255.08536	1.0
255.17352	0.4
255.20985	1.4
257.18976	0.5
257.22415	0.6
259.16806	0.5
265.19534	0.5
267.20984	0.7
269.22476	0.7
271.20566	0.4
273.09570	0.9
273.18280	0.6
275.20081	0.4
279.20905	0.5
281.22656	0.6
283.20703	0.6
283.24063	0.9
285.18616	0.5
285.21799	0.4
287.19962	0.4
293.22452	0.7
295.20877	0.3
295.24011	1.3
297.22061	0.8
299.19992	0.7
301.21509	0.9
309.11703	1.0
309.25613	0.7
311.23444	0.8
313.21417	0.9
313.25107	1.8
315.23209	3.1
321.25629	0.7
323.27264	0.4
325.21262	0.3
325.24994	0.3
327.22946	0.5
327.26654	0.5
329.24857	0.4
335.26993	0.3
337.25073	0.3
339.22870	0.3
339.26526	0.5
341.28119	0.5
343.26428	0.3
351.26685	0.8
355.26080	1.2
357.23987	1.1
363.26855	0.5
367.26181	0.5
369.23776	0.4
369.27859	4.9
373.27243	1.3
377.32153	1.7
381.27713	1.2
387.28592	1.1
391.28256	0.8
391.33185	0.8
395.32803	0.7
399.28629	0.7
401.31665	1.0
407.33389	1.2
409.34717	2.8
417.29889	0.4
419.33066	4.0
421.34387	0.8
425.34018	0.5
435.32486	0.4
437.34067	15.0
438.34155	0.4
439.35760	2.1
453.33185	0.3
455.35117	7.9
456.35239	0.4
473.36411	1.8
476.17926	0.3
489.35355	0.6
547.37323	0.4
553.32990	0.4
565.38892	0.5
579.35046	0.4
599.39246	0.3
617.40527	2.4
635.32214	0.3
635.41479	4.0
707.39008	0.4
745.44275	0.4
763.46112	3.8
781.47296	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	781.4716
Annotation	Bryonioside G
Peak:m/z	Relative Intensity
55.01857	1.4
55.05497	5.7
57.03428	9.9
57.07065	2.0
59.04992	1.3
61.02914	2.0
63.09879	0.3
65.03930	0.7
67.05493	6.7
69.03419	8.3
69.07057	5.5
69.79018	0.2
70.06561	0.6
71.01340	1.6
71.04978	62.8
71.79731	0.3
72.05321	0.5
73.02903	5.0
73.06549	0.4
75.04465	5.9
79.05479	4.5
81.03397	4.3
81.07040	14.3
81.07525	0.7
83.04967	11.2
83.08607	2.5
84.08121	0.3
85.02889	100.0
85.06535	0.8
86.03222	0.6
86.06077	0.5
87.04456	4.1
91.03967	0.5
91.05457	6.2
91.61937	0.3
93.07028	10.3
95.04954	3.5
95.08589	18.0
96.08154	0.4
97.02874	7.2
97.06498	1.8
97.10154	1.6
99.04437	3.3
99.08083	1.5
101.06017	1.1
103.03899	0.7
103.05444	0.9
105.07009	9.6
107.04966	1.6
107.08571	15.5
108.08162	0.3
108.08851	0.4
109.02845	2.9
109.06503	2.8
109.10136	14.5
110.10454	0.3
111.04423	5.8
111.08089	1.1
111.11714	0.7
113.06058	0.4
113.09630	0.5
114.09167	0.9
114.10271	0.4
115.03918	0.6
115.05421	0.5
117.02256	0.3
117.03353	0.5
117.05483	2.0
117.06976	1.8
118.96218	0.3
119.04943	0.8
119.08561	11.2
120.08027	0.3
121.06478	2.7
121.10123	12.8
122.10482	0.4
123.04418	0.6
123.08036	2.3
123.11681	7.4
125.05962	0.8
125.09598	2.8
127.03896	6.6
127.07569	0.6
127.11166	7.0
128.06187	0.5
129.05453	29.6
129.07030	1.3
130.05835	0.3
130.08647	0.8
130.70428	0.3
131.04944	0.8
131.08546	4.6
133.06540	0.9
133.10100	11.1
135.04411	0.7
135.08022	2.9
135.11665	11.2
136.03897	0.4
136.06197	0.5
137.05939	1.6
137.09627	1.9
137.10490	0.3
137.13223	5.8
139.03893	0.4
139.07536	0.6
139.11218	0.9
141.05467	0.4
141.12715	0.5
143.08540	2.8
143.10747	0.9
144.09277	0.4
145.02878	0.9
145.04910	3.4
145.06541	0.6
145.10103	8.2
145.11192	0.5
147.04504	2.2
147.06535	10.4
147.08044	1.8
147.11659	8.1
149.05984	0.7
149.09570	2.6
149.13232	6.4
151.03908	0.6
151.07536	0.4
151.11212	1.2
151.14845	0.8
153.12766	0.9
155.08496	1.4
155.10599	2.5
156.09258	0.4
157.10089	4.1
159.06625	0.3
159.08089	0.9
159.11668	7.6
159.12938	0.5
160.09770	0.3
161.05974	0.5
161.09586	1.9
161.13223	4.8
163.03899	0.5
163.06056	2.9
163.07587	0.9
163.11147	1.5
163.14777	2.9
164.07027	0.4
165.07680	0.5
165.09113	0.5
165.12801	1.0
167.07097	0.9
167.14252	0.5
169.04993	0.6
169.10092	1.8
170.10825	0.3
171.06532	0.6
171.07977	0.4
171.11646	3.7
172.12340	0.6
173.09567	1.7
173.13235	4.5
175.06059	0.4
175.07481	0.3
175.11107	1.5
175.14787	3.3
175.16150	0.3
177.05495	1.5
177.12846	0.8
177.16336	1.9
179.10695	0.4
179.14365	0.5
181.04988	0.6
181.08632	0.5
181.10179	0.8
183.11589	1.8
185.09756	0.4
185.13239	2.9
187.11215	1.1
187.14793	4.9
189.12773	1.3
189.16351	4.3
191.10635	0.6
191.14410	0.9
191.17897	6.6
193.12239	0.5
195.10098	0.4
195.11740	0.7
195.13719	0.5
197.13245	2.2
199.11278	0.6
199.14746	2.6
201.12820	1.1
201.16342	4.1
203.10777	0.3
203.14325	1.0
203.17934	4.4
205.07080	0.4
205.12067	0.4
205.15912	0.4
205.19537	0.4
207.06598	0.6
207.11882	0.4
207.13896	0.8
207.17415	0.6
209.13292	0.8
211.14742	1.7
213.12753	0.5
213.16348	1.3
215.10741	0.3
215.14302	2.1
215.18024	1.3
217.15883	0.8
217.19498	1.7
219.13879	0.9
219.17442	0.5
223.14809	0.6
225.16461	0.9
227.14314	0.7
227.17961	0.9
229.15926	1.3
229.19533	0.6
231.08554	0.5
231.13892	0.7
231.17490	0.7
233.15334	1.5
237.16566	0.4
239.17987	1.3
241.16072	0.4
241.19466	1.3
243.17500	0.6
243.21062	3.3
245.15437	1.1
247.16870	1.4
249.18530	0.6
253.19539	0.7
255.08673	1.2
255.17369	0.6
255.21133	1.3
257.18991	0.5
257.22729	0.6
259.17050	0.4
259.20587	0.4
261.18912	0.6
261.22217	3.0
265.19791	0.4
266.14066	0.3
267.21005	1.9
269.19272	0.6
269.22641	0.5
271.20718	0.6
273.09622	1.3
273.18564	0.3
273.22272	0.4
275.20157	0.4
279.21136	0.7
281.22580	0.4
283.20511	0.5
285.22086	6.4
285.25031	0.4
287.20193	1.0
291.10709	0.8
293.22992	0.5
297.22244	0.7
299.20285	0.7
299.23602	0.4
301.21588	2.1
303.23340	1.2
309.11880	1.5
309.25800	0.4
311.23758	0.6
313.21765	0.7
314.69824	0.3
315.23264	1.6
317.21152	0.3
321.26019	0.5
327.23193	0.6
329.24918	0.5
333.25708	0.4
339.13434	0.4
339.26935	0.5
340.13834	0.5
341.24942	0.4
349.29434	0.3
351.26688	1.3
367.29935	0.4
369.27655	1.5
371.16168	1.0
372.16537	1.2
373.16940	0.8
377.32480	0.3
381.27655	0.6
387.29083	0.8
395.28955	0.3
395.33380	1.8
401.32040	0.4
407.32980	2.2
409.34698	1.6
419.33005	3.5
421.34811	1.3
425.34076	3.0
427.36243	0.4
437.34097	18.9
438.34644	1.0
439.35641	2.2
443.35544	0.9
453.33795	0.7
455.35168	32.6
456.35818	1.4
457.36548	0.3
466.22409	0.4
471.34720	0.8
473.36172	26.0
474.36841	1.0
489.35861	0.9
496.24426	0.3
497.36545	0.3
601.40790	0.5
611.34222	2.7
617.40637	1.3
635.41443	9.3
636.42639	0.5
695.40448	1.1
751.46246	0.9
763.46106	10.9
764.47125	0.4
777.31519	0.5
781.47333	12.3
782.48187	0.6
801.35217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05503	2.4
57.03429	2.3
60.04486	0.3
61.02914	4.7
65.03951	0.4
67.05495	4.5
69.03412	3.3
69.07065	3.3
71.01363	0.4
71.04989	1.2
71.79517	0.5
73.02905	3.2
79.05475	4.2
81.03407	4.4
81.07042	5.3
83.04983	1.7
83.08633	2.1
83.38226	0.3
85.02889	6.5
85.06543	0.4
86.09710	0.9
87.04458	0.4
91.03938	2.6
91.05466	5.0
93.07022	3.6
93.07481	0.3
95.04962	2.7
95.08598	2.7
97.02880	5.0
97.03465	0.5
97.06519	0.8
97.10162	0.8
99.04455	1.1
101.02354	2.5
103.03918	0.5
105.07018	3.4
107.04990	0.6
107.08575	2.6
109.02892	1.3
109.06522	0.7
109.10156	1.3
111.08084	0.8
115.05426	0.5
117.07018	0.8
119.08577	3.0
121.10104	1.7
123.08034	0.7
123.11711	0.5
124.99979	0.4
125.09647	0.9
127.03911	1.6
129.05507	0.3
129.07036	1.0
130.85852	0.3
131.08540	1.6
133.06456	0.4
133.10120	2.3
135.08017	0.5
135.11713	1.0
137.09578	0.3
142.07780	0.4
145.10124	1.0
147.08095	0.4
147.11707	1.4
149.09647	0.6
149.13298	0.7
157.10147	1.3
159.11665	0.7
161.09538	0.3
161.13322	0.4
163.11169	0.6
171.11716	0.5
175.11215	1.1
184.07335	2.1
185.04317	0.8
185.07664	0.4
191.17984	0.4
193.12149	1.5
203.05276	0.8
211.13344	0.9
229.16740	0.3
233.50055	0.3
243.08432	2.9
251.12593	1.0
267.16190	0.4
273.18408	0.3
275.20038	0.3
301.08966	0.5
303.19305	0.3
307.15024	0.8
333.20282	2.1
389.23102	0.4
400.03632	0.3
439.19678	0.7
453.20972	0.6
453.33533	0.8
469.20392	12.0
551.28247	4.3
681.35052	0.6
779.41736	100.0
780.42010	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	779.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05504	1.8
57.03432	2.6
59.04993	0.5
61.02920	6.5
64.76051	0.2
65.03952	0.2
67.05495	5.0
69.03418	3.6
69.07069	1.6
70.02908	0.6
70.03324	0.8
71.01338	0.4
71.04985	1.6
73.02912	4.8
75.04483	0.3
79.05486	4.5
81.03416	3.4
81.07050	5.5
81.07524	0.3
83.04981	0.5
83.08611	1.1
85.02895	6.8
86.09711	0.2
87.04465	0.6
91.03946	4.5
91.05457	2.7
93.07034	4.7
95.04970	1.4
95.08599	4.2
97.02881	5.8
97.06523	0.6
97.10200	0.3
99.04433	1.2
101.02378	1.9
103.03945	0.5
105.07033	2.6
107.04946	0.3
107.08578	2.4
109.02878	1.0
109.06526	0.3
109.10127	1.6
111.08111	0.4
114.12248	0.2
115.03912	0.5
119.08577	1.7
121.10131	2.8
123.08054	0.4
123.11727	0.3
125.00044	0.3
127.03915	1.5
129.05505	0.4
129.06996	0.6
131.08562	1.8
133.10101	1.1
135.11679	1.1
145.04904	0.4
145.10136	0.4
147.11632	1.3
149.09639	0.9
149.13269	0.5
153.11150	0.2
157.10156	0.4
159.11679	0.3
161.13263	0.3
163.14792	0.3
175.11203	0.6
183.06599	0.3
184.07349	0.7
185.04265	0.8
193.12242	1.1
197.15335	0.4
203.05232	0.5
211.13417	0.3
225.14943	0.7
233.11578	0.3
243.08315	2.9
253.14168	0.3
267.15982	0.8
283.15128	6.7
284.15451	0.4
335.22250	0.3
335.25903	0.9
339.17743	0.8
501.23007	8.6
502.23306	0.5
519.29272	9.0
520.29663	0.5
617.40399	0.4
749.79150	0.3
750.47192	0.2
779.45410	100.0
780.45728	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	779.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05478	0.4
57.03400	1.0
64.90688	0.4
64.93550	0.4
67.05469	1.3
69.03380	1.2
69.07012	0.7
70.06553	1.2
71.04947	1.8
73.02863	0.5
79.05443	1.4
80.04910	0.4
81.07007	1.7
85.02441	0.4
85.02888	3.7
88.30586	0.4
91.05431	1.1
93.07008	1.2
94.06522	1.3
95.04914	1.3
95.08533	1.4
96.08091	0.8
97.02845	1.8
99.04430	0.7
105.06986	1.2
106.06530	3.1
107.04863	0.7
107.07274	0.5
107.08548	1.5
108.08089	7.0
109.02901	1.9
109.03506	0.4
109.10132	1.0
111.04390	0.4
111.07982	0.5
114.09136	0.4
118.06505	0.5
119.04898	0.5
119.08523	1.2
120.04430	0.5
120.08045	1.5
121.10059	0.9
122.05999	2.9
122.09594	0.5
123.08066	0.9
124.07571	14.6
124.08497	0.7
125.09578	0.6
127.03880	1.4
129.05438	0.8
130.06487	0.5
133.10091	0.8
134.05971	2.2
134.09668	0.5
135.11699	0.9
136.07547	5.0
137.05911	1.2
138.09097	0.5
143.08470	0.5
144.04407	0.6
144.08044	0.5
145.02802	0.4
145.10069	1.0
146.05983	5.3
146.09627	0.6
147.04369	1.0
147.06648	0.5
147.11594	0.4
148.07547	6.9
150.09097	2.4
151.03926	0.4
151.98376	0.4
152.07028	3.2
157.09967	0.5
159.11591	0.6
160.07526	1.2
162.05435	1.2
162.09061	2.0
164.07068	2.9
166.08612	4.0
167.07054	0.8
172.03951	4.6
174.05458	4.3
174.09019	1.3
176.07045	5.7
180.10170	0.5
187.14870	0.4
188.07097	0.5
189.16324	0.4
190.04935	1.0
191.05701	1.5
192.06497	1.6
198.11568	0.4
199.12189	0.5
201.16397	0.6
204.06506	5.0
205.06863	0.4
206.08119	2.0
208.09647	4.2
209.10640	0.7
210.09189	0.4
210.11435	1.6
211.08647	0.6
211.12263	2.2
212.12962	0.6
214.08562	0.7
220.09851	0.5
221.10666	1.1
222.11324	0.8
223.12224	2.7
224.13055	1.6
225.10147	2.9
225.13733	2.2
226.10867	1.1
226.14511	0.4
227.11789	3.9
229.13274	0.8
232.09764	0.6
234.11397	0.7
235.08704	1.2
235.12254	2.5
236.09303	1.2
236.13025	1.4
237.10117	6.4
237.13885	1.6
238.10880	4.6
238.14522	0.8
239.11751	13.4
240.12462	2.6
241.13251	1.7
245.12842	1.0
248.09332	2.2
248.13066	0.7
249.10170	5.5
249.13925	0.6
250.10909	4.5
251.11755	21.9
252.12492	5.2
253.09503	0.8
253.13333	14.8
254.13933	1.1
255.11259	0.8
255.14885	1.2
260.09219	0.6
261.10214	1.2
262.10968	1.4
263.09448	0.6
263.11740	16.2
264.08972	1.4
264.12488	4.0
265.09717	5.8
265.13315	23.3
266.10422	3.1
266.13998	5.3
267.11221	5.3
267.14828	2.9
268.11874	2.0
268.15533	0.6
269.12753	3.9
271.10529	0.4
271.11469	0.5
271.14365	4.7
274.10852	2.1
275.11743	1.8
276.09787	0.7
276.12521	0.8
277.09705	4.3
277.13327	5.5
278.10333	5.5
279.11237	100.0
279.98135	0.4
280.11905	8.6
281.12775	13.2
282.13446	0.9
283.10724	1.1
283.14291	1.7
285.12259	1.0
290.69437	0.5
291.11295	6.9
292.11844	5.9
292.14938	0.7
293.12762	13.7
294.13409	2.1
295.10703	4.5
295.14340	2.3
296.11551	1.5
297.12296	13.1
298.12946	1.8
299.13763	2.4
303.11252	1.1
305.12894	0.5
307.10745	1.2
307.14172	0.4
308.11380	0.7
309.12259	7.7
310.12833	16.9
311.13824	18.6
312.14499	2.9
313.15427	4.2
315.13373	1.8
319.10727	7.1
319.14352	0.6
320.11285	1.3
320.14789	0.5
321.12292	16.5
322.12814	1.1
323.13907	3.0
324.14673	0.9
325.15271	0.9
326.12640	0.5
327.13483	0.5
328.13919	2.7
329.15048	1.8
331.16406	1.8
335.13950	0.7
336.10745	0.7
337.11786	4.2
337.15430	0.6
338.12460	1.9
339.13361	15.2
340.13919	1.3
341.14957	1.1
342.15652	0.8
351.13254	5.7
352.14056	0.6
353.14871	2.9
354.11603	0.5
354.15598	0.6
355.16788	0.5
357.14325	0.7
360.17068	0.5
363.13358	0.5
365.15005	1.2
369.14279	3.2
370.15073	0.7
371.15988	2.0
372.17255	0.6
377.14935	0.9
379.12811	2.6
379.16809	0.5
380.13498	0.7
381.14276	7.0
382.15137	0.7
383.16235	2.1
383.20288	0.5
384.16888	1.5
387.15131	0.6
388.16559	0.5
395.16034	3.4
397.17752	2.0
399.15417	2.9
400.16476	4.2
401.17453	0.8
402.18127	1.3
404.19775	0.7
405.14261	0.6
411.15454	5.3
412.16263	0.9
413.16943	2.8
414.17764	0.7
415.18542	1.9
416.19833	0.7
419.16037	1.2
421.13632	0.6
423.15305	2.5
424.16507	1.0
425.16949	1.2
429.16547	0.5
431.17831	0.8
433.19647	3.5
435.15363	1.8
435.32425	0.5
436.16159	0.9
437.17038	3.0
438.17752	1.0
439.14737	4.8
439.19327	0.4
440.15771	1.8
441.16498	10.8
442.17487	2.3
443.18063	0.9
444.18805	1.7
445.14410	0.7
446.14908	0.6
451.20789	0.6
453.16556	5.7
454.17050	2.5
455.18069	8.6
456.18845	2.0
459.17752	4.8
460.18344	1.6
462.20084	1.5
463.15024	3.0
464.15692	1.0
465.16528	3.1
469.15948	0.5
471.17590	7.6
471.34738	0.6
472.18341	4.2
473.19089	2.6
478.23819	0.6
481.16003	16.6
482.16724	7.6
483.17477	15.5
484.18048	1.5
497.19028	0.8
499.17047	24.1
500.17773	6.5
501.18561	22.3
502.19516	1.7
504.21167	0.8
513.18549	2.7
514.18921	1.0
515.20154	4.2
531.19623	5.2
532.20447	0.7
533.21283	11.0
534.21509	0.7
536.23865	1.1
542.22241	0.6
544.24463	2.2
560.24170	0.6
562.25067	1.6
565.24634	0.5
566.24713	0.7
567.25946	0.9
568.20502	1.9
570.22437	2.5
580.26434	8.0
585.26727	1.7
586.21674	1.9
588.23236	4.8
592.22369	0.6
593.23071	0.5
594.24628	0.9
602.24664	1.1
604.22815	5.5
605.23315	1.1
606.24353	44.8
607.24603	2.7
608.26074	1.4
620.25574	1.2
622.23822	3.2
623.24139	1.2
624.25391	66.5
625.25562	4.3
626.27142	0.5
627.28400	2.2
636.25281	0.5
638.26898	9.6
639.27112	0.7
656.28015	13.3
657.28485	0.9
659.31097	0.6
667.30530	0.9
675.28235	1.2
685.31049	0.5
693.28845	7.4
703.33295	0.9
711.29987	4.2
725.30768	0.5
729.31134	20.2
730.31213	1.2
743.32642	0.5
747.32190	11.1
761.33374	3.8
779.33521	3.1
779.47375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
55.05482	0.7
57.03393	0.7
67.05457	1.0
68.04987	0.6
69.03398	1.3
69.07008	0.6
70.06547	0.8
71.04956	1.2
71.18878	1.1
71.19242	0.7
75.19922	0.5
79.05453	0.9
81.07021	0.9
85.02893	3.7
89.03819	0.5
91.05433	1.1
93.06992	1.2
94.06524	0.7
95.04902	1.7
95.08557	0.9
96.08063	1.1
97.02850	1.1
97.06509	0.7
105.06973	1.4
106.06528	3.2
107.04945	0.5
107.08533	1.1
108.07379	0.6
108.08104	8.1
109.02818	1.9
109.10115	1.0
120.04425	0.6
120.08057	1.6
121.74385	0.5
122.05968	2.0
122.09634	0.7
123.08006	0.7
124.07568	14.0
127.03868	1.3
130.06487	0.9
132.08037	0.8
134.05959	2.3
136.07535	4.7
144.04381	0.8
145.04799	0.5
145.10040	0.7
146.05994	3.5
147.04425	0.5
148.06422	0.9
148.07549	8.8
150.09087	2.6
152.07115	2.8
159.11670	0.6
160.07532	1.1
161.13211	0.6
162.05409	1.0
162.09096	2.3
163.03789	0.5
164.07024	2.2
166.08609	3.9
167.07170	0.7
172.03915	5.2
173.04677	0.8
174.05490	5.1
174.09076	1.1
176.07037	5.7
177.05406	0.7
178.08609	0.7
182.38091	0.5
188.07060	0.6
190.04933	0.7
190.08430	0.5
191.05693	0.6
192.06442	1.2
194.07985	0.6
204.06528	5.2
206.08128	1.5
208.09659	4.2
209.10727	0.7
210.11330	1.0
211.08647	0.8
211.12222	1.7
212.09348	0.6
213.10039	0.5
214.08606	0.5
221.10739	1.0
222.11334	1.5
223.12251	2.1
224.13048	1.1
225.10083	2.4
225.13765	1.7
226.10878	1.4
227.11772	3.5
229.13347	0.6
232.09615	0.9
235.08554	0.8
235.12212	2.7
236.13026	0.6
237.10104	6.7
237.13890	1.7
238.11015	4.4
239.11740	13.7
240.12468	3.0
241.09518	0.9
241.13266	2.3
245.12784	1.1
247.12253	0.8
248.09311	1.8
249.10159	5.2
250.10847	4.6
251.11752	20.3
252.12476	5.4
253.09457	0.7
253.10553	0.9
253.13315	15.2
254.14035	1.2
255.11272	1.2
261.10214	1.2
262.10925	1.2
263.08841	1.0
263.11737	17.7
264.08908	1.4
264.12518	2.9
265.09692	6.7
265.13315	22.5
266.10770	3.8
266.13956	5.3
267.11243	5.2
267.14713	2.5
268.11823	1.6
268.15924	0.8
269.12802	4.3
271.14380	4.8
274.10715	2.8
275.11691	1.6
276.12405	0.7
277.09714	5.4
277.13330	4.6
278.10400	5.4
278.13666	0.6
279.11240	100.0
280.11905	8.0
281.12811	11.8
282.13370	0.7
283.14227	1.3
285.12228	1.0
291.11304	8.0
292.11838	6.7
293.12805	12.8
294.13443	3.1
295.10672	4.0
295.14340	2.9
296.11530	1.1
297.12286	13.0
298.12946	1.9
299.13953	2.8
303.11176	1.5
305.12726	0.9
307.10760	1.1
307.14246	0.6
309.12314	8.4
309.15622	1.0
310.12842	18.3
311.13846	18.5
312.14490	2.2
313.15460	4.2
315.13278	1.2
319.10760	5.6
320.11365	1.2
321.12280	16.7
322.12753	0.9
323.13971	1.6
325.11823	0.8
325.15344	0.9
328.13837	2.8
329.14938	2.0
331.16663	1.4
337.11804	4.5
338.12607	2.0
339.13364	12.7
340.14133	1.4
341.14926	1.8
351.13391	4.6
352.14020	1.0
353.14908	2.8
355.16422	0.8
357.15060	0.8
365.15073	1.0
369.14618	4.1
370.15250	0.6
371.15930	1.7
377.15146	0.8
379.12875	2.2
380.13440	1.1
381.14322	4.7
383.15909	2.0
384.16858	1.0
395.15952	3.7
396.16455	0.8
397.17511	1.3
399.15463	2.9
400.16391	3.8
401.17404	1.1
402.17944	0.9
404.19702	0.9
405.14594	0.9
411.15445	4.5
412.16226	1.2
413.17047	3.9
414.17944	0.8
415.18640	2.1
416.19305	0.6
418.21661	0.8
419.15775	1.0
423.15393	2.8
424.16364	0.8
425.17123	1.3
427.14331	0.8
431.18274	0.6
433.19769	4.1
435.15521	2.0
437.16989	2.9
439.14841	5.1
440.15912	2.7
441.16501	11.4
442.17462	2.0
444.18933	1.5
445.14209	0.9
447.15332	1.0
451.20578	1.0
453.16513	4.6
454.17319	2.6
455.18082	7.3
456.18896	1.2
459.17426	4.9
460.18607	1.7
462.20242	1.7
463.14777	3.3
464.15686	0.7
465.16605	3.0
471.17447	6.5
471.34842	0.7
472.18298	4.0
473.19162	3.5
478.23294	1.2
481.16006	15.5
482.16745	7.7
483.17612	17.6
484.18408	1.6
497.19019	0.7
499.17068	22.0
500.17874	8.5
501.18610	21.3
502.19257	1.9
504.21185	0.6
513.18298	2.6
515.20032	4.6
531.19678	5.0
533.21234	11.7
536.23877	0.9
541.14679	0.5
544.24603	3.0
562.24689	1.9
564.23505	0.7
567.25958	1.4
568.20850	1.0
570.22516	3.4
578.24683	0.6
580.26599	8.3
585.27222	1.5
586.21613	2.5
588.23206	5.3
604.22882	5.6
605.23413	0.9
606.24402	44.2
607.24957	2.5
608.25922	1.5
620.25708	1.5
622.24036	3.3
623.24316	0.8
624.25421	73.1
625.25861	3.3
627.28375	2.9
638.27026	11.3
639.27386	0.7
656.28064	13.1
657.28851	0.9
667.30847	1.0
675.27875	1.2
693.28973	6.0
703.34009	0.7
711.30548	4.0
729.31207	22.1
730.31439	0.6
743.32672	0.7
747.32269	12.8
748.34058	0.8
761.33795	3.5
779.34674	3.4
779.43713	0.6
779.47052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	6.1
69.03400	4.0
71.04974	3.9
73.02884	2.2
78.11918	1.2
79.05482	3.0
79.64005	1.3
81.03399	4.5
81.07050	2.2
83.04960	3.4
84.62203	1.2
85.02891	10.2
91.05455	2.1
93.07041	3.9
94.06561	6.0
94.96257	1.4
95.04950	2.0
95.08595	2.0
97.02866	3.6
107.08596	4.1
108.08102	4.0
109.02853	2.2
109.06508	1.8
111.04430	1.4
119.08577	2.3
120.08087	2.7
122.06015	17.5
124.07589	4.1
127.03899	4.8
128.54366	1.4
129.05486	1.8
130.08621	1.6
134.06024	4.2
134.09695	1.5
134.19611	1.3
136.07608	9.4
137.05968	1.3
146.05989	3.3
147.04396	1.9
147.06491	1.4
148.07564	9.1
150.09091	1.6
152.07013	2.4
158.87120	1.8
163.03792	1.3
164.07071	4.1
166.08577	2.5
172.03969	1.8
174.05515	4.4
176.07019	2.8
190.04990	2.2
202.90912	1.5
204.06619	2.7
208.09831	1.4
211.08722	2.3
222.11453	2.6
223.08585	10.3
223.12306	4.9
224.13000	1.8
225.10194	22.8
225.13829	4.3
226.10855	2.1
227.11748	5.2
235.08554	5.6
235.12294	1.8
236.09447	5.1
237.10188	15.3
237.13745	6.6
238.10854	9.9
239.11746	19.8
239.15506	1.5
240.12553	5.9
241.13399	4.3
247.12462	1.6
248.09590	5.0
248.13144	1.8
249.10223	13.2
249.13896	2.0
250.10904	18.5
251.08179	6.1
251.11761	55.9
252.12465	10.5
253.09616	3.3
253.13390	16.4
254.13994	2.3
263.08896	2.3
263.11743	35.0
264.09024	3.1
264.12451	8.9
265.09775	9.7
265.13318	64.7
266.10645	6.6
266.13992	6.8
267.11221	6.2
267.14749	6.3
268.12021	2.0
269.12860	4.1
275.11728	4.4
276.09781	1.5
277.09641	5.7
277.13431	4.2
278.10336	10.4
279.11243	42.2
280.12082	6.6
281.09909	1.5
281.12802	9.1
282.13464	2.0
283.10782	9.9
283.14435	1.5
284.11597	1.7
285.12402	1.7
291.11249	9.3
292.11981	3.5
293.09512	2.4
293.12827	34.0
294.13589	5.2
295.10767	6.2
295.14420	8.9
296.11526	7.1
297.12332	9.5
298.13165	5.0
299.13956	4.5
303.15063	1.7
307.10675	3.3
307.14407	1.5
309.12302	21.7
310.12927	6.0
311.13846	45.7
312.14093	1.8
313.15497	6.3
319.10678	6.3
320.11890	1.6
321.12344	16.0
323.13812	2.6
325.11810	1.9
325.15305	2.7
329.15259	1.6
337.11749	10.1
338.12610	4.1
339.13397	14.7
340.13666	2.6
343.13632	1.3
344.13821	3.0
351.13342	10.5
352.14090	2.4
353.14941	29.8
354.15652	1.9
355.16589	2.0
357.14349	3.1
358.15485	1.7
360.16898	1.7
369.14365	16.6
370.15067	2.6
371.15961	24.7
372.16916	4.9
379.12408	3.3
380.13556	1.4
381.14429	4.7
383.16043	4.3
386.18695	3.5
395.16010	2.4
397.17657	2.1
398.14816	2.1
399.15204	2.4
400.16064	3.8
401.16269	2.6
402.17853	2.4
404.19839	1.7
409.17929	1.7
411.15549	10.5
413.17023	19.6
414.18103	7.2
416.19852	6.8
419.16638	1.7
425.17014	1.8
431.18060	1.9
432.18997	7.3
433.18982	1.9
435.15289	2.9
437.17020	5.1
439.14474	3.4
440.15860	2.9
441.16306	6.7
442.17413	4.0
443.18051	3.4
446.20395	2.5
447.15271	1.8
453.16400	5.8
455.18097	8.2
459.17700	2.3
460.18701	9.8
463.14969	2.6
464.21658	12.0
465.16510	8.1
471.17410	13.2
472.18286	1.8
473.19177	20.1
474.20236	16.8
478.23190	3.6
479.17938	3.2
481.15967	5.9
482.16699	2.7
483.17535	12.1
492.21301	16.6
495.17328	1.7
497.19107	9.0
499.17041	6.2
500.17883	1.7
501.18655	6.9
502.19717	2.4
513.18701	18.4
514.19525	2.8
515.20270	27.0
531.19666	19.6
532.20526	2.6
533.21289	39.1
534.22260	23.7
542.22357	3.3
558.22083	4.3
567.25812	3.0
568.20520	7.6
572.23615	3.1
576.23242	3.8
580.26373	2.5
585.26990	15.4
586.21661	23.5
587.22192	1.7
588.23102	2.2
590.24719	2.9
594.24023	5.6
599.28442	3.6
600.23187	26.6
602.25696	1.8
603.25726	4.7
604.22693	18.3
606.24115	5.1
608.25299	1.8
617.29535	3.0
618.24359	53.5
619.24646	3.1
621.26428	1.9
622.23761	28.4
623.23541	2.4
624.25275	9.1
625.26477	1.7
636.25415	100.0
637.25372	5.8
654.26526	60.1
655.26227	3.1
659.30469	6.8
675.28174	1.8
693.28790	10.1
707.30505	15.1
711.29626	5.2
725.31744	12.1
729.30939	9.8
743.32782	6.6
747.32922	6.4
761.34613	8.2
779.45966	2.7
785.01599	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
69.03418	1.4
69.64291	2.3
69.64713	3.6
71.04972	3.1
73.02888	0.7
77.28641	0.6
79.05483	1.3
80.16304	0.6
81.07056	1.3
83.73642	0.7
84.38686	0.7
85.02886	6.3
90.61132	0.6
91.05470	1.3
93.07001	1.0
95.04942	1.3
95.08604	1.6
96.08077	0.7
97.02873	0.9
99.42662	0.7
106.06538	3.2
107.07262	0.7
107.08553	1.2
108.08096	8.2
109.02839	1.3
110.60265	0.8
116.04993	0.8
120.04415	0.9
120.08092	3.2
122.06005	4.0
122.09607	1.3
123.08129	0.7
123.11678	1.1
124.07576	14.2
127.03876	1.3
129.05489	1.2
131.04901	0.7
132.08076	0.9
134.05966	2.2
135.11699	0.7
136.07582	5.2
145.10023	0.7
146.06047	4.4
146.09616	1.1
148.07550	9.0
149.40553	0.8
150.07892	1.0
150.09120	2.6
152.07045	2.7
160.07649	0.9
162.09123	2.1
164.07036	2.4
166.08614	6.2
172.03912	6.2
174.05481	5.4
174.09105	1.3
176.07043	6.7
190.04895	1.6
190.08578	0.9
191.05682	0.7
192.06557	1.2
204.06506	7.0
205.06926	0.7
206.08121	2.1
208.09593	5.2
209.10770	1.4
210.11545	2.1
211.12296	1.3
212.12991	0.9
213.13834	0.7
223.12256	2.9
224.12979	2.0
225.10211	2.8
225.13782	1.7
226.10951	0.7
227.11758	3.3
229.13422	0.8
235.08698	2.0
235.12273	2.2
236.09164	1.0
236.13004	1.3
237.10120	7.8
237.13837	2.1
238.10883	5.4
238.14438	0.8
239.11766	15.0
240.12431	3.4
241.13277	2.0
245.12961	1.0
248.09396	2.7
249.10109	6.0
250.10857	7.1
251.11752	26.9
252.10086	1.0
252.12520	7.1
253.13316	17.3
254.14044	1.4
255.11127	0.9
255.14963	0.9
262.10941	1.3
263.11719	19.7
263.14249	1.4
264.08984	2.0
264.12506	5.0
265.09726	7.7
265.13324	30.8
265.16196	1.6
266.10687	4.6
266.13852	5.6
267.11240	7.2
267.14896	3.1
268.11856	2.9
269.12866	3.9
271.14398	4.9
274.10690	3.1
275.11768	2.2
276.12500	1.3
277.10156	5.1
277.13062	5.6
278.10406	6.9
279.11246	100.0
280.11877	8.8
281.09885	1.3
281.12827	13.0
282.13324	2.4
285.12195	1.4
287.13651	0.9
291.11224	8.5
292.11844	6.8
293.09473	1.5
293.12787	16.3
293.15936	1.5
294.13443	2.8
295.10690	5.4
295.14340	3.5
296.11615	2.1
297.12329	15.4
298.12970	2.0
299.13828	3.1
307.10724	1.8
309.12280	8.8
310.12817	18.8
311.13843	25.6
312.14505	2.9
313.15424	4.6
315.13486	1.2
319.10721	6.8
320.11499	1.7
321.12332	19.5
322.12979	1.2
323.13760	2.5
324.14786	1.3
328.13782	2.5
329.14990	2.7
331.16815	0.7
337.11838	6.4
338.12643	2.7
339.13358	21.2
340.14041	1.6
341.14734	1.5
351.13443	4.8
353.14798	6.7
357.14444	1.1
358.15637	1.0
365.15109	1.2
369.14450	5.9
371.15979	12.3
372.16794	1.4
379.12622	1.7
379.16840	1.1
381.14255	6.7
383.15811	2.9
395.15900	3.5
396.16879	1.2
397.17307	2.1
399.15323	3.0
400.16388	4.6
405.14340	1.2
409.13348	0.8
411.15323	6.3
412.16092	2.3
413.17047	5.3
414.17911	1.3
415.18491	1.2
416.19098	1.1
419.16104	1.6
423.15555	3.0
424.16449	0.9
425.16962	1.0
431.17734	1.0
433.19684	5.7
434.20386	1.2
435.15665	1.4
437.16925	3.0
438.18842	0.8
439.14984	3.2
440.15912	1.8
441.16501	11.9
442.17313	3.0
443.18420	1.6
444.18988	1.0
445.13940	1.5
447.15585	1.1
453.16568	6.0
454.17123	2.3
455.18011	9.9
456.18503	1.3
459.17508	6.3
460.18472	2.5
461.19403	0.9
462.19800	1.8
463.14825	2.9
464.15891	1.4
464.21811	2.9
465.16595	3.8
469.15909	1.2
471.17542	8.5
472.18448	3.5
473.19183	6.1
478.23422	1.8
481.16052	16.0
482.16742	7.9
483.17526	20.9
484.18073	1.7
494.22943	1.1
495.23663	0.9
497.19067	4.6
499.17084	23.8
500.17636	9.2
501.18579	24.8
502.19492	2.2
513.18890	5.2
514.18695	1.0
515.20215	18.3
516.20264	1.5
531.19769	8.7
532.19946	1.5
533.21210	27.9
534.21326	2.0
536.23486	1.4
542.22552	1.1
543.25012	0.8
544.24170	2.6
562.24933	2.2
567.25800	1.6
568.20416	2.4
570.22186	3.3
578.25159	1.1
580.26483	10.0
585.27057	4.0
586.21411	3.1
588.23376	6.1
590.24579	2.0
594.24188	1.2
600.23230	1.0
604.22723	4.9
605.23889	0.8
606.24390	46.2
607.24677	3.5
608.25745	2.6
617.29053	2.2
618.24628	1.0
620.25525	2.1
622.24042	3.1
624.25409	65.5
625.25806	5.7
626.27075	1.2
627.27527	2.3
636.25311	1.9
638.26953	13.2
639.27466	2.1
640.27570	0.8
654.27124	0.8
656.28033	19.8
657.27899	1.1
659.30817	1.3
667.31281	1.6
675.27582	1.0
685.32635	0.9
693.29034	8.1
711.30078	5.7
725.31464	1.5
729.31140	22.0
730.31219	2.0
743.31744	1.1
747.31964	12.3
761.33612	6.1
762.33252	0.9
779.33441	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	777.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05504	0.7
56.36752	0.6
61.02899	0.6
66.04726	0.6
67.05499	2.7
69.03409	2.6
69.07051	2.5
69.86170	4.3
70.06573	0.9
71.04977	1.0
72.08160	1.1
75.97686	0.6
79.05479	2.9
80.05007	0.9
81.03410	3.4
81.07028	3.9
82.06602	0.7
85.02896	2.7
91.05463	2.6
91.57158	0.6
93.07044	1.5
94.06561	5.3
95.04968	1.8
95.08592	1.1
96.08121	1.9
97.02898	1.6
97.06519	0.9
98.20773	1.2
102.18477	0.7
103.05459	0.8
105.07041	1.1
106.06555	1.4
107.04951	0.9
107.08577	0.7
108.08103	5.9
109.02856	0.8
109.06525	0.6
109.10101	0.8
110.02380	0.7
110.06007	1.0
112.03947	0.7
114.09082	0.6
114.10294	0.7
118.06522	1.1
119.04954	2.4
119.08622	1.0
120.08105	2.1
122.06008	10.1
124.07575	6.0
127.03899	1.1
130.08664	0.7
131.04930	0.6
132.08020	0.8
133.10141	0.6
134.05972	1.5
136.07538	6.3
137.05983	2.8
138.05487	0.8
140.07040	7.5
142.08678	2.1
145.02852	2.1
145.06490	0.9
146.05965	6.5
147.04390	5.0
147.06796	0.6
147.11678	0.8
147.98328	0.7
148.07523	6.4
150.09146	1.7
151.03769	0.7
152.07079	4.2
154.08650	2.1
160.04005	0.7
160.07582	1.9
161.05984	0.7
162.09142	0.9
163.03929	0.7
166.08652	1.8
167.07074	3.0
172.03941	1.1
174.05450	4.7
174.09167	0.7
176.07022	4.4
177.05472	2.9
181.04980	0.8
181.08710	0.6
188.07104	0.9
190.04974	1.6
194.09630	0.7
198.79799	0.5
201.10229	0.8
204.06561	1.3
206.08208	0.7
207.06534	0.8
208.09671	1.5
209.10669	0.9
210.11584	1.7
211.08617	0.7
211.12315	3.2
212.10889	0.8
212.13106	1.9
213.10262	1.1
213.13948	1.2
214.31720	0.6
215.11690	0.9
221.10829	1.7
223.12308	3.1
224.13042	1.9
225.10225	4.7
225.13799	4.5
226.08763	0.5
226.11066	2.0
227.11792	5.5
229.13373	1.0
233.11000	0.8
235.08739	1.1
235.12148	2.9
236.09413	1.2
236.12991	0.7
237.10172	9.6
237.13943	2.5
238.10867	4.0
239.11755	12.6
239.15468	1.0
240.12509	5.5
241.09579	0.8
241.13373	3.3
243.11296	1.8
247.12363	0.7
248.09496	2.1
249.10172	8.5
249.13960	1.0
250.10922	7.8
251.11768	29.6
252.12527	8.6
253.09581	0.9
253.13316	21.5
253.15852	1.3
254.14066	3.4
255.11360	1.6
261.10132	1.0
262.10959	1.7
263.11755	18.3
264.08936	3.6
264.12463	6.0
265.09775	8.3
265.13382	24.6
266.10736	4.3
266.13983	6.3
267.11304	8.2
267.14883	3.5
268.11966	1.3
268.15652	0.6
269.12814	3.3
271.14417	0.9
275.11826	2.9
276.09055	0.9
276.12598	0.9
277.09714	6.4
277.13348	4.0
277.16092	0.9
278.10464	7.9
278.13684	1.2
279.11246	59.6
280.11945	14.8
281.09671	1.2
281.12790	13.6
282.13583	0.8
283.10815	1.4
283.14252	1.1
285.12289	2.6
287.14011	1.1
289.13129	0.7
291.11234	14.5
292.12006	6.3
293.12787	21.6
293.15970	1.1
294.13364	4.3
295.10815	4.0
295.14444	4.6
296.11523	2.5
297.12347	10.0
298.13120	1.3
299.13913	6.9
303.11249	0.9
303.14880	0.7
305.09280	0.7
305.12781	0.8
306.13394	0.7
307.10748	1.9
309.12299	5.9
310.13037	2.6
311.13852	20.4
312.11325	0.9
312.14587	5.4
313.11774	1.7
313.15451	6.4
319.10721	13.2
319.14395	1.3
320.11395	3.8
321.12347	8.4
322.12848	1.0
323.13992	2.8
324.14532	0.8
325.11777	3.2
325.15317	0.8
337.11798	4.7
338.12643	1.2
339.13348	6.2
340.13748	1.0
341.15088	1.9
346.15384	0.9
351.13412	1.3
353.15070	2.5
355.16623	0.6
356.13965	0.9
357.14825	1.1
358.15436	1.5
367.12759	0.9
367.16888	1.0
369.14651	1.8
370.15430	1.2
371.16260	3.1
372.17108	1.9
374.18704	1.3
379.12549	1.6
380.13403	1.4
381.14471	2.4
382.15268	1.3
383.15771	1.8
384.13333	0.9
388.16302	0.8
390.18158	0.7
393.14301	1.2
395.16031	4.1
396.16757	0.9
398.18930	0.8
399.15607	1.6
400.16446	4.7
401.16711	0.8
402.18176	1.8
407.16248	1.0
409.17883	1.1
411.15585	1.1
412.16309	1.1
413.17111	2.7
414.18137	1.7
416.19772	0.9
418.17578	1.2
421.13815	0.8
423.15536	2.0
424.16550	2.1
425.17136	1.9
429.16666	1.1
432.19171	1.8
434.20624	2.8
435.15497	3.0
436.16101	1.3
437.17133	2.2
439.14816	1.2
440.15799	0.7
441.16565	5.2
442.17441	4.3
443.18115	2.8
449.19580	0.8
453.16412	6.8
454.17120	4.7
455.18332	3.7
456.19263	1.2
457.15979	0.9
458.16772	1.3
459.17673	1.9
460.18784	2.3
463.15067	2.7
464.15778	2.1
465.16766	2.0
469.15897	1.0
471.17792	5.0
472.18521	2.3
481.16116	11.7
482.16727	5.9
483.17691	6.2
484.18057	0.8
499.17175	1.3
502.19412	1.1
513.18970	1.8
515.20288	3.9
542.23987	0.8
554.24432	0.8
568.21771	2.8
576.23145	2.0
578.24994	1.5
579.22333	3.2
581.23541	13.1
582.24329	12.3
583.24957	2.3
586.21924	4.4
594.24402	29.2
595.24835	2.4
601.26617	1.0
604.22919	4.0
606.24530	2.0
608.22333	10.6
609.23157	8.0
610.23834	9.1
618.24390	1.0
622.23877	100.0
623.24243	9.8
624.25433	2.2
636.25348	3.9
640.25189	7.6
654.26477	63.8
655.26947	8.2
709.28821	2.3
727.29694	7.8
728.30420	0.8
745.30688	56.5
746.31091	4.5
777.31506	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	777.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.1
55.05481	0.8
57.03415	1.2
60.22564	0.7
64.35647	0.6
65.03898	0.9
65.89957	0.7
67.05452	3.0
68.04975	0.8
68.61760	0.7
69.03373	3.4
69.07049	3.9
69.45118	2.1
69.45540	6.0
70.06573	1.7
71.04948	1.6
72.08097	1.8
79.05446	2.3
81.03412	7.4
81.07021	3.4
83.04932	1.2
85.02888	4.5
91.05471	4.6
93.06965	2.1
94.06560	4.5
95.04913	2.3
95.08552	1.6
97.02836	2.9
97.06454	0.8
98.21510	1.2
99.04428	0.9
101.38979	0.7
103.05445	0.9
105.06985	2.5
106.06561	3.7
107.04942	1.2
107.08556	1.4
108.08089	5.7
109.02829	3.1
109.06535	1.6
109.10091	1.1
110.02367	1.4
111.04420	1.4
114.09116	1.0
114.10223	2.1
116.04916	0.8
117.03322	1.8
117.06950	0.8
118.03686	0.9
118.06471	0.9
119.04880	2.5
119.08537	1.2
120.04383	0.8
120.08052	2.4
121.06481	1.2
121.10110	1.3
122.05999	13.2
123.04373	0.7
124.06760	0.8
124.07578	9.3
127.03835	3.1
129.06900	1.0
130.08595	2.0
131.04865	1.5
131.08516	0.9
132.08028	2.0
133.06425	0.8
133.10049	0.9
134.05972	4.2
135.07704	0.7
135.11691	1.0
136.07561	6.9
137.05954	5.1
139.03845	0.8
140.07043	12.5
143.08537	0.8
144.04361	1.2
144.08023	0.7
145.02824	8.1
145.04906	1.1
145.06403	1.0
145.10025	1.2
146.03169	1.9
146.05983	8.8
147.04398	12.7
147.07988	0.7
148.07539	10.0
149.05916	1.0
150.09134	1.8
151.03816	1.5
152.07051	5.3
154.08597	1.1
157.10149	1.2
158.05969	0.7
159.08000	1.7
159.11685	1.0
160.07497	1.6
161.05942	1.4
162.05493	1.4
162.09097	2.1
163.03879	1.0
164.06989	3.3
166.08589	3.2
167.07066	3.9
172.03902	10.5
174.05457	10.3
174.09027	1.6
175.03886	0.9
176.07050	7.8
177.05464	15.8
178.05763	2.8
178.08728	0.8
181.04953	1.1
181.08713	1.0
186.05331	0.8
187.07417	1.1
188.07010	0.9
190.04901	3.6
191.05695	1.5
192.06494	1.6
193.08604	0.9
197.10660	1.1
198.09047	0.8
198.11403	0.7
199.08623	1.0
199.12263	1.5
204.06512	14.5
206.08109	5.3
207.06448	1.9
208.06931	0.8
208.09650	5.7
209.10750	2.0
210.11517	2.2
211.08664	1.3
211.12215	3.3
212.09346	1.2
212.12943	1.4
213.13721	0.8
214.08490	1.3
217.13374	1.3
218.11731	1.3
219.10156	1.0
220.09746	0.8
222.11261	1.6
223.12297	1.6
224.09509	0.9
224.12950	1.4
225.10196	5.9
225.13802	2.5
226.10835	1.6
227.11755	12.8
229.13266	1.7
232.09685	1.1
235.08716	1.2
235.12312	2.3
236.09488	1.3
236.13042	1.3
237.10210	8.7
237.13835	2.6
238.10902	7.6
238.14674	1.2
239.11774	14.4
240.12413	3.0
241.13327	2.3
247.12329	1.3
248.09460	2.8
249.10893	9.9
250.11134	9.8
251.11769	23.6
252.12515	7.5
253.09656	2.3
253.13379	10.5
255.11244	2.1
261.10095	1.1
262.10971	2.2
263.07980	1.7
263.08673	1.5
263.11752	19.3
264.08987	1.6
264.12494	6.4
265.09680	8.6
265.13324	22.3
266.10458	4.4
266.14053	7.0
267.11221	6.6
267.14545	1.3
268.11957	1.8
269.12817	6.0
271.10733	1.4
271.14365	3.3
274.10760	3.3
275.11713	2.6
276.12485	2.6
277.10001	5.7
277.13345	6.6
277.16394	1.2
278.10431	8.0
279.11240	100.0
280.11926	12.8
281.12778	9.1
283.10831	1.6
283.14410	1.2
285.12247	4.0
287.13812	3.4
291.11243	8.8
292.11841	5.8
293.12814	13.5
294.10263	0.9
294.13409	3.6
295.10730	4.4
295.14340	2.0
296.11542	2.0
297.12296	21.9
298.12833	2.8
299.13898	3.8
303.11276	1.6
304.11935	1.2
305.09369	0.7
305.12808	1.7
307.10635	3.0
307.14084	0.8
309.12289	11.1
310.12817	12.3
311.10431	1.6
311.13855	20.1
312.14676	3.1
313.11874	2.1
313.15488	1.9
315.13785	0.8
316.14459	1.5
319.10803	6.9
320.11890	1.6
321.12329	16.8
322.13007	1.7
323.13882	1.7
325.11874	1.3
325.15466	0.9
327.13870	0.9
328.14456	1.2
329.15112	5.1
330.12302	1.7
330.15936	2.2
331.13071	1.9
331.16718	1.9
332.17416	1.2
333.11868	0.9
335.13666	1.3
336.10806	1.1
337.11765	6.7
338.12640	2.5
339.13391	14.3
340.13971	1.3
341.15048	2.0
342.12476	2.1
344.13922	1.7
344.17624	2.2
345.14484	4.6
351.13455	2.7
353.14905	4.1
354.15958	1.0
355.16602	1.1
356.13947	2.2
357.14682	2.2
358.15512	3.7
360.16818	1.3
365.14963	1.5
368.17752	0.9
369.14401	5.1
370.15472	2.2
371.16208	3.9
372.17050	3.1
374.18814	1.1
379.12836	2.2
380.13596	1.2
381.14453	5.2
382.15302	2.2
383.12564	1.1
384.13193	5.3
385.14093	1.7
386.14896	1.9
386.19180	1.1
388.16806	1.0
393.14499	1.6
394.15088	1.4
395.16010	10.3
396.16840	1.9
397.17560	3.3
398.14813	7.0
399.15683	8.8
399.81705	0.8
400.16470	15.6
401.16879	2.4
402.17981	1.5
405.14557	1.3
407.15820	1.5
411.15302	1.4
412.16455	1.5
413.16995	6.6
414.17862	3.1
415.18600	2.7
416.19708	1.1
417.15063	1.0
418.17685	1.8
420.17627	0.8
423.10571	0.8
423.15271	4.3
424.16446	1.7
425.16745	2.3
426.16595	1.0
429.16803	1.1
431.18085	5.8
432.19092	2.5
433.19833	1.6
434.20776	1.1
435.15540	4.0
437.16980	3.2
439.14944	1.3
440.15933	1.6
441.16571	10.6
442.17529	5.0
443.17700	1.0
447.15405	1.5
453.16437	9.6
454.17358	5.2
455.18137	3.1
458.16840	1.8
460.18585	3.2
463.15097	4.1
464.15594	1.7
465.16409	4.5
467.14423	1.0
469.16064	1.6
474.20767	0.9
478.19809	2.1
481.15988	34.1
482.16568	13.7
483.17557	41.3
484.18106	4.5
495.17828	1.4
497.19159	2.1
502.20007	1.9
513.18542	9.5
514.19336	2.4
515.20148	19.0
515.27417	1.5
516.20819	3.0
525.19769	0.8
527.19550	1.1
534.22656	0.8
540.21204	1.1
542.22632	1.6
552.22894	1.3
558.22296	1.4
560.23895	1.4
562.22162	1.3
568.20880	5.7
569.20941	1.4
574.21497	1.1
576.23621	1.3
582.24310	1.6
583.25659	3.4
586.21869	12.3
587.22101	1.6
588.22784	1.4
594.24408	1.6
600.23602	4.3
601.26068	1.7
602.21167	3.5
603.22156	3.3
604.22809	21.8
605.23438	5.6
606.24408	1.2
610.23785	1.6
618.24438	5.9
619.25214	2.2
620.22430	6.6
621.23090	2.5
622.23895	97.8
623.24268	12.8
625.26514	1.4
636.25574	8.8
637.26019	1.9
643.27435	2.5
653.26788	1.3
654.26501	21.8
655.26666	4.5
683.31079	1.4
691.27441	4.7
692.28009	1.0
701.31213	1.3
709.28497	17.1
710.28693	2.0
723.30164	2.1
727.29620	16.8
728.30371	2.1
741.30768	1.7
745.30688	33.1
746.31238	4.4
759.31464	1.4
777.31677	12.0
778.31866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
55.05479	0.6
57.03395	0.4
67.05456	1.4
68.04991	0.4
69.03426	1.9
69.07059	2.7
70.06546	0.6
70.81219	1.0
72.08126	0.4
78.04683	0.4
79.05447	1.0
80.04999	0.5
81.03410	2.9
81.07019	0.7
83.04955	0.8
84.08119	0.6
85.02876	2.4
91.05444	1.4
93.06984	1.1
94.06550	4.1
95.04899	1.3
95.08551	0.7
96.08084	0.4
97.02830	1.5
97.06455	0.5
99.04411	0.7
103.05411	0.5
105.07002	0.9
106.06553	2.4
106.07141	0.5
107.04916	0.8
107.07332	0.4
107.08578	0.6
108.07469	0.4
108.08106	4.9
109.02869	1.8
109.06477	0.4
110.05972	0.6
111.04401	0.4
112.07545	1.2
114.09103	0.6
114.10275	0.5
115.03862	0.5
118.06473	0.4
119.04901	0.9
119.08522	0.7
120.08115	1.8
121.05131	0.5
121.06457	0.8
121.08816	0.4
122.06020	9.5
122.06867	0.3
122.09641	0.5
123.04343	0.7
124.07522	1.3
127.03843	1.2
130.06458	0.4
130.08620	9.3
131.08878	1.4
132.08051	1.0
133.02821	0.4
133.06424	0.4
133.10123	0.4
134.05994	2.9
135.04361	0.5
136.07559	6.0
137.05966	1.8
138.05441	0.7
140.07042	14.0
142.08591	0.4
144.04424	1.0
144.07982	0.5
145.02774	1.5
145.10077	0.8
146.05984	5.6
146.09561	0.8
147.04384	3.2
148.07544	8.7
149.05898	0.6
150.05371	0.3
150.09126	2.0
152.07063	2.9
154.08527	0.9
157.10068	0.4
159.11609	0.4
160.07585	0.9
162.05466	1.0
162.09042	1.4
163.03882	0.8
164.07033	3.5
166.08620	8.3
167.06998	1.5
171.11588	0.4
172.03918	7.1
172.07556	0.6
173.04477	0.6
174.05484	7.0
174.09126	1.4
176.07039	8.1
177.05457	2.1
178.08606	1.0
188.07005	0.5
189.12706	0.9
190.04962	2.5
190.08554	0.5
190.12949	0.3
191.05614	0.6
192.06490	1.3
192.10106	0.5
194.08165	0.6
197.10844	0.6
199.12265	0.7
200.07114	0.5
202.08644	0.4
204.06534	10.8
206.08134	2.8
207.09161	0.5
208.09637	3.9
209.10675	0.9
210.11487	1.6
211.08705	0.6
211.12257	2.3
212.10837	0.4
212.12953	0.6
213.10228	0.5
214.08698	0.8
216.10196	0.5
220.09659	0.7
221.10696	1.4
222.11310	0.8
223.12244	2.2
224.09389	0.6
224.13031	1.1
225.10233	2.8
225.13724	1.9
226.10982	1.1
227.11758	2.6
229.13341	1.4
229.51312	0.4
232.09650	0.6
234.11392	0.6
235.08614	1.2
235.12257	2.7
236.09319	1.0
236.13042	1.2
237.10181	8.9
237.13756	1.7
238.10898	5.4
238.14510	0.5
239.11742	13.9
240.12482	2.2
241.13298	0.9
243.11325	0.6
247.12248	0.8
248.09320	2.7
248.13145	0.7
249.10146	5.0
249.13962	0.8
250.10872	5.3
251.11771	19.9
252.12492	5.7
253.09537	0.9
253.13339	10.2
254.13972	1.2
255.11229	1.1
261.10159	1.1
261.12451	0.9
262.10977	1.5
263.11755	18.0
264.08923	1.7
264.12488	4.8
265.09683	6.8
265.13315	20.9
266.10437	3.6
266.14032	4.4
267.11246	5.7
267.14758	1.7
268.11951	1.0
269.12888	2.2
271.11496	0.4
271.14423	3.4
274.10782	2.0
275.11697	2.0
276.12512	1.4
277.09689	5.2
277.13309	6.1
278.10373	5.4
279.11240	100.0
280.11874	10.5
281.09512	0.7
281.12787	9.2
282.13516	1.0
283.10818	0.9
283.14294	1.5
284.11584	0.7
285.12274	1.1
287.13919	3.5
289.15436	1.1
290.10526	0.4
291.11255	8.3
292.11871	4.7
293.09467	0.8
293.12769	13.1
294.13495	4.1
295.10721	3.8
295.14334	2.7
296.11377	1.8
297.12292	17.2
298.12994	2.4
299.14075	1.9
303.11310	1.0
305.09216	0.4
305.12769	1.0
306.09711	0.4
307.10699	1.3
307.14117	0.5
308.11420	0.4
309.12280	13.5
310.12888	13.7
311.13834	14.7
312.14438	1.9
313.11783	4.0
313.15451	1.8
315.13416	0.6
317.12610	0.8
319.10736	6.6
319.14316	0.6
320.11319	1.5
321.12314	17.3
322.12790	1.7
323.10391	0.8
323.13882	1.4
324.10870	0.7
324.14377	0.9
325.11627	1.6
325.15332	0.6
327.13162	0.6
331.12909	1.5
332.17804	0.5
335.10007	0.4
335.13876	0.7
336.10773	0.8
337.11780	13.1
337.15146	0.6
338.12527	6.8
339.13373	21.0
340.14114	2.0
341.14832	1.1
345.14523	4.7
347.16129	0.6
351.13367	3.1
352.14279	0.7
353.14847	2.7
354.16238	0.5
357.14453	0.5
358.15555	0.4
360.17026	0.6
363.15775	0.5
365.14850	1.5
369.14459	5.6
370.15137	0.7
371.16031	4.6
372.16855	1.0
377.14487	0.4
379.12793	1.8
379.16977	0.5
380.13556	1.1
381.14465	3.2
382.15189	0.8
383.15851	1.2
384.13187	0.6
385.13959	0.6
392.19461	0.4
393.14420	1.2
394.15262	0.4
395.15924	5.3
396.16629	0.5
397.17767	2.0
399.15491	1.1
400.16437	3.8
401.16827	0.7
402.18079	1.1
404.19690	0.4
405.14355	1.4
407.15973	1.3
409.13824	0.8
411.15402	1.3
413.17068	1.7
414.17935	0.8
415.18668	1.8
416.19455	0.6
418.17355	0.5
419.16254	0.8
421.13779	0.5
423.15570	2.7
424.16324	0.9
425.17252	0.7
431.18082	0.8
432.19153	0.5
433.19653	1.8
434.20718	1.0
435.15298	2.7
436.16278	0.7
437.17041	2.1
438.18857	0.5
439.14545	0.8
440.15460	0.8
441.16510	10.4
442.17474	3.7
443.17749	0.7
445.14096	0.9
447.15469	1.3
453.16519	7.8
454.17322	4.4
455.18338	2.0
460.18542	6.9
461.18973	0.7
463.14874	3.2
464.15952	1.1
465.16397	2.8
469.16022	1.1
478.19617	5.4
479.18619	0.6
480.21030	0.6
481.15991	30.7
482.16666	11.9
483.17569	39.8
484.17987	3.3
492.21582	0.8
495.17273	0.5
497.18927	1.1
502.19797	1.2
510.22189	4.6
511.22897	0.4
513.18604	7.1
514.19171	1.4
515.20215	15.4
516.20648	1.6
520.20898	0.8
546.22260	0.7
560.24109	1.3
562.21661	0.6
568.20532	2.6
569.21600	0.5
578.25006	0.9
582.24170	0.8
583.24738	2.2
586.21851	5.2
587.22278	1.1
590.20972	0.5
592.23090	0.5
594.24097	1.0
600.23450	0.5
601.26434	11.9
602.27185	0.9
604.22845	14.4
605.23352	2.4
610.23712	1.2
618.24207	1.6
619.25549	0.4
622.23883	93.2
623.24255	8.9
624.24939	1.1
633.29163	2.5
636.25623	2.5
637.25958	0.8
643.27667	2.2
654.26495	22.9
655.27197	2.2
675.30676	0.5
691.27698	1.4
709.28625	6.0
710.28699	0.6
727.29889	3.9
745.30707	22.0
746.30792	2.8
777.31915	4.1
778.33795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41861	0.6
55.01849	3.4
55.05503	38.9
57.03432	16.7
57.07064	2.1
59.04995	3.3
61.02927	3.8
65.03933	2.3
67.05495	100.0
68.05822	1.2
69.03425	4.4
69.07060	17.1
69.83973	4.1
71.01349	0.7
71.04974	3.8
73.02909	2.0
75.32752	0.7
79.05482	42.4
81.03412	6.6
81.07044	61.4
82.07393	0.7
83.04979	5.9
83.08613	15.9
85.02892	15.8
85.06528	2.9
86.09647	0.8
87.04456	7.9
90.16966	0.6
91.03952	1.4
91.05468	25.4
92.05779	0.8
93.07033	43.3
95.04954	7.5
95.08595	43.4
97.02898	3.5
97.03454	0.6
97.06518	5.6
97.10159	20.2
97.10795	1.0
99.08099	1.0
103.03938	1.6
104.69285	0.7
105.04572	0.6
105.07012	15.0
107.04964	2.1
107.08576	31.6
108.08919	1.0
109.06512	3.0
109.10143	52.2
110.10511	1.4
111.04444	0.8
111.08083	2.9
111.11737	0.8
113.09666	0.7
117.07008	7.3
119.08575	15.1
119.09389	1.1
120.08929	0.7
121.06545	1.6
121.10119	20.2
123.08064	2.6
123.11699	5.0
125.09610	21.3
127.03896	1.2
129.07021	2.5
131.08556	9.9
133.10121	11.5
135.08069	1.4
135.11667	10.9
137.09586	3.6
137.13239	1.5
139.11163	1.8
141.09160	0.6
143.08604	1.8
143.10680	3.0
145.10098	8.9
147.08014	1.3
147.11684	6.8
149.09645	2.5
149.13232	5.8
151.11153	0.8
153.12740	1.2
155.08478	1.0
155.10703	2.7
157.10159	2.1
159.11699	7.1
161.13232	4.8
163.11218	4.5
163.14799	3.0
165.12662	0.8
167.10663	0.6
169.10034	0.7
171.11745	2.0
173.11758	15.0
173.13290	6.0
175.11188	1.0
175.14870	2.2
177.16330	1.1
181.12305	1.4
184.07378	2.3
185.13280	1.6
187.14857	2.7
189.11220	1.2
189.12784	0.9
191.10703	1.2
191.14348	0.8
193.12274	1.9
195.11781	0.7
197.13229	1.0
199.13264	11.7
199.14786	1.0
201.16403	1.2
203.12764	1.3
209.11673	3.5
211.11212	0.6
211.13313	1.8
213.16611	0.8
217.14436	2.3
219.17464	0.7
227.12698	6.4
229.14317	49.3
230.14755	0.8
233.22704	1.1
243.21045	5.0
245.13860	2.3
257.13846	1.0
257.18948	0.8
259.20624	2.4
261.22119	16.0
262.22711	0.7
267.15887	5.4
270.37207	0.7
277.21747	1.8
283.15494	1.2
289.21844	1.1
297.22198	0.9
299.23572	1.0
301.16397	16.3
303.23157	0.8
305.54498	0.7
315.23209	1.7
317.24796	2.4
319.17517	0.7
327.23212	1.5
333.24289	1.4
335.25751	78.8
336.26257	2.5
345.24341	0.8
351.25269	1.4
363.25363	2.2
389.27185	0.9
402.18048	0.8
403.32367	0.8
433.31171	0.8
451.32111	0.8
459.34729	1.5
463.31000	0.7
469.32983	0.9
477.35651	11.3
487.34698	0.7
489.35715	16.8
489.42484	1.1
505.34802	0.8
507.36453	0.9
525.35895	0.9
543.36639	4.1
561.37677	10.3
579.39020	2.0
776.42371	2.3
777.38464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.5
55.05503	21.0
57.03202	1.0
57.03432	11.7
57.07059	1.8
57.61668	0.9
59.04993	2.2
60.08148	1.5
60.16710	0.8
61.02906	4.4
61.51980	0.8
65.03920	3.9
67.05495	100.0
68.05820	2.2
69.03410	8.5
69.07059	27.3
70.07365	0.8
71.01358	1.0
71.04984	40.0
71.07368	1.2
71.08610	2.0
71.79617	1.6
73.02897	2.4
75.45020	0.8
79.05481	42.9
80.05804	1.5
81.03407	14.1
81.07044	58.2
82.07369	1.7
83.04967	10.8
83.08607	14.6
85.02892	7.6
85.06525	6.3
86.09701	8.9
87.04453	0.9
91.03937	1.3
91.05467	42.6
92.05785	1.8
93.07029	52.1
95.04955	13.2
95.08593	31.0
97.02860	5.2
97.06516	12.3
97.09575	1.0
97.10162	13.0
99.04427	2.4
99.08097	4.7
102.09135	1.0
104.10726	1.3
105.06322	2.0
105.07017	29.2
106.07309	1.5
107.04941	8.6
107.08578	37.0
108.08936	1.2
109.02836	2.2
109.06502	7.7
109.10140	66.0
110.10463	0.9
111.04409	1.2
111.08052	7.1
113.05978	1.3
113.09614	1.6
117.07005	13.2
119.08565	31.7
121.06493	4.6
121.10126	18.5
123.08036	3.0
123.11673	3.4
124.99973	6.5
125.09605	11.8
127.03858	2.7
129.06984	4.8
131.08539	13.7
133.06454	1.2
133.10104	17.1
134.10481	1.0
135.08070	5.1
135.11682	20.9
136.11981	1.3
137.09595	17.4
139.07510	1.1
139.11176	1.7
141.06949	1.3
143.08566	4.8
145.04901	1.5
145.10091	18.7
147.08057	2.1
147.11665	11.4
149.09590	12.7
149.13237	7.2
151.11153	2.8
153.09048	1.9
155.08514	1.5
155.10655	3.2
155.76723	0.9
157.10080	4.9
159.08040	1.1
159.11671	8.9
161.09532	1.9
161.13272	4.2
163.11162	10.1
165.12778	2.4
169.10083	2.8
169.12227	2.3
171.10329	0.9
171.11667	4.1
173.04413	2.5
173.11707	10.3
173.13248	3.5
175.11191	2.6
175.14745	1.1
177.12729	2.7
179.14293	5.5
181.12245	4.6
183.11707	2.6
184.07321	35.2
185.13211	2.2
187.11247	1.5
187.13141	2.0
187.14711	1.4
189.11221	5.0
191.14223	1.3
193.12206	3.3
195.13792	3.9
197.13226	3.3
199.14880	1.3
211.13226	7.9
213.14771	1.1
227.12720	17.1
229.14223	4.2
229.19467	1.1
233.15370	1.2
239.18033	1.7
243.15860	3.6
247.20558	1.3
251.16428	1.1
253.14447	1.7
254.72983	0.9
255.15878	9.4
257.18973	4.6
259.20416	1.8
267.15918	7.5
269.17371	7.1
275.20032	21.9
277.21613	1.8
285.16974	2.4
287.15356	1.7
287.18491	25.2
288.18588	1.0
291.19510	1.9
292.19968	1.4
293.20978	2.5
349.23666	20.6
350.23788	1.1
351.25174	3.7
374.63251	0.9
381.23138	1.4
383.24152	2.2
405.26373	1.9
409.25717	6.4
413.25427	5.3
423.27377	16.2
431.27792	1.7
435.27386	15.0
436.27576	1.5
437.28845	5.8
441.28506	2.4
447.27072	2.1
449.28891	14.2
457.27975	1.4
461.29126	1.1
463.30295	3.6
465.32300	1.3
467.30096	4.4
479.29755	2.8
481.31583	35.1
482.31833	1.3
485.32605	6.5
503.33612	53.0
504.34039	6.0
511.34109	1.3
517.35315	7.3
521.34448	2.1
525.35760	1.0
529.35150	27.0
530.35382	3.1
535.35260	3.0
543.28595	1.0
543.36688	14.0
547.36243	2.6
561.29340	1.6
561.37708	27.3
562.37915	2.3
567.31378	2.2
569.29572	1.3
579.39160	4.4
593.32605	3.5
673.38409	1.2
723.41882	1.6
726.42975	3.3
777.40289	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	775.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05503	3.3
57.03429	2.7
61.02914	5.7
65.03925	0.8
67.05495	10.1
68.05840	0.4
69.03424	2.7
69.07061	5.1
70.06580	0.4
71.01366	0.6
71.04981	1.8
71.79562	0.6
73.02914	3.7
74.10402	0.4
79.05484	8.9
79.97294	0.4
80.01765	0.4
81.03413	4.0
81.07047	10.7
82.07376	0.7
83.04964	1.9
83.08596	1.8
85.02894	6.0
85.06537	0.8
91.03948	3.2
91.05463	8.5
93.07030	8.8
94.07371	0.7
95.04955	3.3
95.08586	5.2
97.02877	4.6
97.06496	2.1
97.10152	1.0
99.04450	1.1
99.08083	0.5
101.02364	2.2
105.07011	6.3
106.07375	0.4
107.04954	1.4
107.08572	4.2
108.08915	0.5
109.02870	0.9
109.06499	1.0
109.10146	2.1
110.06833	0.5
111.08080	0.7
117.07029	1.5
119.08556	4.5
120.08910	0.5
121.06507	1.0
121.10123	2.3
123.08074	0.8
123.11697	0.4
124.12023	0.4
125.09649	0.8
127.03905	1.2
129.07011	1.9
129.49146	0.4
131.08556	2.1
133.10114	3.2
134.10457	0.4
135.08046	0.6
135.11693	2.3
137.09554	0.5
143.08609	1.4
145.10130	1.7
147.08144	0.3
147.11653	3.1
149.09610	1.2
149.13260	0.8
151.11220	0.5
155.08479	0.4
157.10139	0.8
159.11703	1.2
161.09604	0.5
161.13315	1.0
163.11194	0.6
164.27049	0.4
171.10364	0.5
171.11613	2.1
177.12740	0.7
185.04205	0.8
189.12805	0.4
193.12253	0.4
203.05313	0.6
207.13780	0.6
211.13354	0.6
243.08377	3.5
247.13152	1.3
253.14522	0.6
269.17502	1.0
270.17841	0.5
275.20148	0.8
281.17484	0.5
285.16858	0.5
287.18381	0.4
303.15784	0.6
333.20178	2.2
349.23734	0.5
389.22961	0.6
424.27878	0.5
439.19482	1.0
453.21185	0.9
465.20853	11.3
465.27301	0.6
501.14279	0.4
520.33459	0.6
544.37140	0.9
546.35559	0.5
551.28247	5.7
560.36896	0.5
578.37628	0.9
677.33820	0.4
775.42279	100.0
776.42493	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.0
55.05503	19.3
57.03428	11.9
57.07063	1.3
59.04985	2.2
60.08142	2.5
61.02918	4.4
65.03931	2.8
67.05493	100.0
67.39874	0.7
68.05843	1.9
69.03419	7.6
69.06680	1.5
69.07056	25.4
70.31675	2.1
70.32069	1.6
71.01347	0.7
71.04980	33.8
71.07360	1.2
71.08614	1.6
73.02892	1.6
77.03890	0.9
79.05479	42.6
80.05807	1.6
81.03410	14.9
81.07040	56.2
82.07375	1.3
83.04964	9.0
83.08602	13.9
83.09058	1.0
85.02888	6.3
85.06525	4.6
86.09695	8.2
91.03951	1.4
91.05467	39.7
92.05786	1.0
93.07029	47.4
94.07369	2.0
95.04953	11.9
95.08590	27.3
95.09184	1.5
97.02876	5.0
97.06503	13.8
97.10149	10.1
97.43861	0.8
98.20765	1.2
99.04465	1.7
99.08069	4.9
101.05987	0.8
102.09193	1.6
105.07017	24.7
107.04936	6.3
107.08575	34.5
109.02859	2.3
109.06499	5.8
109.10139	58.7
110.10468	1.3
111.04436	1.8
111.08066	7.4
111.11739	0.9
113.06007	0.9
113.09647	1.5
115.05412	1.2
117.07001	12.8
119.08560	27.7
119.09390	1.4
120.08961	1.1
121.06481	4.3
121.10123	16.2
121.10945	1.1
123.04358	0.9
123.08032	4.0
123.11716	2.2
124.99983	6.0
125.09607	9.9
127.03905	3.2
127.07587	0.7
129.05463	1.2
129.06958	5.0
130.07803	1.1
131.08531	14.0
133.06522	1.7
133.09142	0.5
133.10097	19.0
135.08046	5.1
135.11670	20.5
135.12619	1.4
136.12067	0.9
137.05980	1.0
137.09584	15.6
138.09895	0.9
139.11212	1.4
141.06964	1.5
141.29198	0.8
143.08545	3.6
145.04974	1.0
145.10107	15.3
145.11201	1.2
146.10452	1.0
147.04401	1.1
147.07985	1.6
147.11655	10.9
147.12700	1.0
147.98390	0.8
148.12025	0.9
149.09592	9.3
149.13239	6.5
151.11176	3.8
153.09113	1.2
155.08580	2.0
155.10677	2.3
157.10065	5.6
159.08081	1.3
159.11667	10.0
161.09586	1.7
161.13200	4.1
163.11160	10.2
165.12807	1.0
169.10098	2.6
169.12296	2.6
171.10262	1.3
171.11693	4.2
173.04494	2.3
173.09648	0.9
173.11749	6.5
173.13257	4.2
175.11185	2.4
175.14742	1.3
177.12758	3.3
179.14346	3.4
181.12231	3.5
183.11746	2.9
184.07314	31.6
185.13246	2.3
187.11209	1.4
187.13190	1.8
189.11159	4.4
189.12723	1.0
191.14227	0.9
193.12238	3.4
195.12048	0.9
195.13875	2.2
197.13274	1.9
199.11317	0.9
201.16394	0.9
207.13881	1.1
211.13202	6.6
219.13795	0.8
221.15331	0.8
227.12741	19.6
229.14243	4.3
229.19652	0.8
231.13763	0.8
239.18086	1.4
241.19475	0.8
243.15916	3.6
247.20593	1.5
253.14236	1.1
255.15802	8.2
257.19061	5.9
259.20581	1.3
267.15799	6.5
269.17438	7.2
275.20001	18.6
276.20352	1.3
277.21643	2.4
285.17032	3.0
287.18454	22.6
291.19583	1.8
293.21143	2.4
323.48813	0.9
331.22696	2.5
349.23685	17.4
350.23938	1.1
351.25388	3.7
367.24588	1.2
383.24408	1.7
389.26904	1.2
393.27777	0.8
405.26266	0.8
407.27896	1.0
409.25894	5.6
411.28873	1.1
413.25525	4.5
423.27383	16.1
424.27783	1.5
425.25427	1.5
431.28146	1.7
435.27341	14.0
436.27994	1.2
437.28958	4.3
441.28488	1.7
449.28943	12.0
457.27975	1.3
461.28891	1.1
463.30331	2.9
467.30396	4.2
473.28607	0.8
475.33899	1.0
479.29953	1.8
481.31564	28.9
482.32028	2.6
485.32745	6.4
501.35706	1.1
503.33606	43.6
504.33853	4.1
511.34177	1.6
517.35187	5.5
521.34552	1.1
529.35175	21.4
530.35608	2.5
535.35535	1.2
543.28485	1.1
543.36554	11.0
544.36829	1.5
547.36078	2.6
561.37817	26.1
562.38068	2.4
567.31464	2.1
569.29590	0.9
579.38715	3.6
593.33264	3.1
601.32294	1.1
625.35468	1.1
647.38300	1.1
726.43207	2.2
776.38416	1.3
777.39648	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	774.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.4
55.05501	18.5
57.03429	17.3
57.07057	1.8
61.02908	1.3
65.03913	2.2
67.05492	55.5
68.05807	1.0
69.03403	3.1
69.07051	12.3
70.11778	3.5
71.04967	3.2
77.03896	0.7
79.05480	38.2
81.03403	80.5
81.07040	54.3
81.93844	0.7
82.03725	0.8
82.07350	0.8
83.04969	6.0
83.08603	20.7
85.02882	1.2
85.06516	3.1
86.09685	0.7
91.05463	29.9
93.07027	42.8
94.07349	1.2
95.04950	30.9
95.08587	41.5
96.05266	0.7
97.02869	2.3
97.06508	5.2
97.10143	7.6
99.08048	1.7
105.07009	25.1
107.04948	6.8
107.08575	27.4
107.09322	1.3
109.06493	4.4
109.10130	18.5
111.04441	1.9
111.08057	7.1
113.05979	0.8
113.09608	0.8
113.17275	0.8
115.05435	1.8
116.77439	0.8
117.07021	7.3
119.08556	21.3
121.06464	3.3
121.10119	22.3
123.04410	1.2
123.08049	2.2
123.11687	8.4
125.09620	4.7
128.06203	1.4
129.06981	10.3
131.08545	18.1
133.06448	2.2
133.09161	1.2
133.10110	15.7
135.08018	2.3
135.11670	13.8
137.09586	3.4
137.13205	1.6
142.07753	3.1
142.40427	0.8
143.08527	2.6
145.10103	9.7
147.08025	3.7
147.11668	15.5
149.09572	5.4
149.13229	7.0
151.14882	0.9
155.08499	1.2
157.10106	11.6
159.08041	0.9
159.11661	7.3
161.13229	5.2
163.11182	2.5
163.14783	4.0
165.12723	2.3
169.10080	1.8
171.11630	2.3
173.13225	6.5
175.11177	8.0
175.14740	2.6
177.12694	1.0
180.06827	0.6
182.83125	0.7
183.11652	0.8
184.07381	1.8
185.13245	2.1
187.11212	0.8
187.14766	2.6
189.11235	4.2
193.12204	21.2
197.13283	1.2
199.14723	0.9
201.16316	1.5
203.14113	0.8
205.12163	1.3
211.13242	2.4
227.12723	6.8
233.15227	0.8
235.13364	1.1
243.20959	5.2
249.14795	2.8
259.13480	1.0
261.18451	0.7
261.19046	1.0
261.22122	17.0
262.22437	1.3
267.15866	100.0
268.16235	4.4
279.23105	0.9
285.22000	1.2
301.14340	1.4
301.25131	5.7
303.23132	1.0
309.16861	2.2
317.24759	3.7
329.20905	1.0
335.25742	76.1
336.26114	5.0
359.25854	1.8
403.24811	1.1
417.26379	1.4
417.31570	1.6
421.25757	2.9
435.27151	3.5
435.32529	5.6
449.28986	1.0
453.33545	7.9
471.34708	5.0
480.58704	0.9
501.35742	1.3
509.35968	2.6
523.81238	0.8
527.37225	59.9
528.37616	6.1
545.38251	55.0
546.38788	6.7
559.39948	2.7
569.38287	4.4
577.40613	1.7
623.39404	1.4
635.38776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.9
57.03405	0.6
61.02903	0.7
63.02380	0.3
65.03670	0.3
65.03926	3.1
67.05485	1.7
69.03098	0.3
69.03419	4.0
69.57306	2.9
70.06570	0.7
71.04973	0.7
72.08131	0.4
73.02875	0.6
73.05626	0.3
78.04704	2.7
79.05479	1.8
81.03403	2.3
81.07012	0.9
82.04165	0.9
84.08137	0.5
85.02384	0.3
85.02888	5.9
87.04446	0.6
91.04919	0.4
91.05465	5.7
93.03371	1.0
94.06532	0.3
95.04950	2.0
95.08564	0.4
96.73326	0.3
97.02895	2.2
97.06477	1.0
99.04444	0.5
103.05459	1.8
105.06981	0.7
106.04160	1.8
107.04962	2.5
108.02045	0.4
108.08145	0.3
109.02838	1.1
109.06480	0.5
110.03613	1.3
111.04394	1.2
114.09126	0.9
115.05437	5.5
116.06239	0.3
117.06996	10.1
119.04929	5.7
119.08516	0.7
121.02912	0.6
121.06514	0.6
122.03600	1.0
123.04415	8.0
124.05190	3.2
125.05975	1.7
127.03873	1.3
127.05400	1.7
129.05472	0.4
130.04044	0.5
130.08601	1.3
131.04945	1.7
132.05614	0.5
133.02809	0.9
133.06448	0.9
134.03636	0.3
135.04411	0.7
136.07529	0.4
137.02258	0.4
137.05956	8.4
138.03017	0.7
142.02602	1.5
143.04906	0.9
144.05632	0.6
145.02808	0.6
145.06462	16.9
146.06882	0.4
147.04384	8.3
147.08006	1.1
148.05013	0.3
149.05945	1.0
151.03851	2.7
151.07535	1.7
152.04640	2.2
152.07019	0.4
153.05440	1.7
155.06021	3.5
159.11618	0.3
160.05176	1.1
161.05919	1.7
163.03830	1.1
163.07455	0.5
165.05452	1.4
166.02565	0.3
167.07010	100.0
168.07405	2.3
171.06487	3.6
173.05952	23.6
174.06609	0.9
175.03868	0.6
175.07541	1.6
177.05453	0.9
179.07016	2.2
181.04922	62.2
182.05312	1.6
188.04622	0.4
189.05449	0.5
189.09042	0.5
190.06238	0.6
191.07030	1.5
193.08536	0.4
195.06453	0.5
197.08209	0.4
201.05432	1.7
203.06998	3.1
205.08572	6.8
207.06479	0.6
207.08252	0.3
219.06444	1.3
220.07263	0.4
221.06085	0.4
221.08035	0.8
222.06686	0.7
223.07365	0.4
231.06535	1.1
233.05984	0.4
233.08038	6.5
234.06578	0.4
234.08748	0.6
235.07419	0.6
235.09621	6.0
236.10161	0.3
239.07063	0.3
242.46095	0.3
247.07494	0.5
250.06297	0.5
264.07846	0.4
265.06003	0.3
265.08484	1.8
267.06516	0.7
267.09833	0.3
279.06342	0.6
280.06989	0.4
282.08847	0.8
283.09714	1.0
292.07190	0.5
293.08093	1.5
294.08792	0.6
295.06067	0.3
295.09583	0.5
297.11133	2.0
299.09122	0.4
303.04947	2.5
307.09598	0.5
310.08386	1.4
311.08981	0.7
323.09177	0.4
324.10086	0.4
325.10574	2.5
326.11340	1.0
327.08722	0.6
327.12311	0.4
329.13895	0.7
337.10843	0.5
340.77432	0.4
342.10794	0.5
353.10129	1.1
354.11014	0.5
355.11777	0.9
357.13275	7.5
367.11887	0.5
369.13486	0.5
370.10275	0.4
385.12750	28.2
386.13242	1.8
387.14377	3.9
397.12720	1.3
399.14297	0.5
403.13852	2.6
415.13846	3.2
416.14514	0.8
417.15408	13.0
418.15817	0.8
559.17969	0.4
565.20575	0.7
577.19171	0.8
583.21887	0.6
595.21130	0.7
613.22632	14.3
614.23309	1.3
743.29254	0.6
775.27875	28.4
776.28076	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.8
55.05264	1.2
55.05507	18.1
57.03430	17.5
57.07065	2.5
61.02920	1.1
65.03934	2.7
67.05496	61.3
68.05822	1.1
69.03418	2.3
69.07059	12.1
71.04989	3.4
71.05515	1.6
71.08602	0.9
79.05482	43.0
81.03407	83.8
81.07044	59.3
81.07761	1.2
82.03738	0.8
83.04980	5.9
83.08610	22.4
85.02901	1.5
85.06521	1.9
88.39481	0.9
91.05467	31.0
93.07032	46.9
95.04957	31.0
95.08594	42.2
96.08939	1.0
97.02889	2.8
97.06529	5.0
97.10163	7.0
99.04443	0.8
99.08076	2.1
105.04535	1.0
105.07018	25.0
105.07711	1.7
107.04948	6.6
107.08582	28.2
109.06483	4.6
109.10142	21.2
111.04419	2.0
111.08058	6.9
115.05437	1.3
117.07015	7.4
119.04922	1.0
119.08571	23.7
121.06482	4.0
121.10120	22.9
123.04388	1.3
123.08073	3.2
123.11700	7.4
125.09604	5.1
128.06276	1.1
129.06987	10.2
131.08545	19.8
133.06490	3.3
133.10104	14.0
134.10431	0.9
135.08049	1.2
135.11679	13.4
137.09599	2.9
137.13220	1.7
142.07787	2.5
143.08553	2.3
145.10106	9.0
147.04425	0.9
147.07997	2.0
147.11659	14.0
149.09583	4.7
149.13255	7.0
153.09032	0.8
153.12953	0.7
155.08609	1.1
157.10115	11.9
159.11697	7.6
161.09660	1.1
161.13249	4.9
163.11154	2.3
163.14806	3.4
165.12718	2.7
169.10161	0.9
169.69194	0.8
171.11688	2.2
173.09543	1.0
173.13237	6.8
175.11174	9.8
175.14767	2.1
177.16435	1.0
179.14281	1.0
185.13225	1.9
187.13297	1.0
187.14796	2.7
189.11160	3.9
191.10680	1.0
191.14256	0.9
193.12230	24.6
199.14943	0.8
201.16397	1.7
205.12282	1.2
211.13277	1.9
224.63159	0.8
227.12758	7.7
233.15378	1.1
235.13359	2.4
243.21005	6.0
249.14827	2.5
259.13205	1.3
261.22107	20.0
262.13480	1.0
267.15878	100.0
268.16293	3.5
273.14774	0.9
279.23096	2.3
285.22070	1.6
301.14264	1.2
301.25201	6.0
301.78564	0.8
303.23145	1.0
309.16882	2.2
317.24835	3.6
333.23975	1.2
335.25760	99.5
336.26367	4.3
359.25763	1.4
403.24536	1.5
409.62970	0.8
417.26459	1.0
417.31702	1.4
421.25806	2.0
435.27444	1.8
435.32574	5.3
449.28671	1.1
453.33688	8.9
471.34851	5.5
475.30823	1.3
509.35974	1.8
527.37250	71.8
528.37817	5.1
545.38361	61.0
546.38678	4.8
559.39636	1.9
569.37891	4.9
577.40784	1.0
653.40009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
55.05503	20.3
56.07314	0.8
57.03429	13.2
57.07061	3.3
58.74153	0.9
59.04995	1.6
61.02918	4.4
65.03934	3.3
67.05497	75.7
69.03419	4.8
69.07061	21.5
71.04984	38.9
71.08624	1.5
71.58457	1.0
71.58802	1.0
73.06556	1.5
79.05484	55.0
80.05803	1.4
81.03399	6.8
81.07046	100.0
82.07371	1.0
83.04965	6.2
83.08608	15.3
85.02883	2.9
85.05477	0.7
85.06535	11.0
86.09695	1.4
87.04458	0.9
91.05469	65.3
92.05804	1.4
93.07032	57.6
94.07366	1.0
95.04963	8.3
95.08597	38.9
97.02888	2.4
97.06520	10.6
97.10142	5.1
99.04420	1.7
99.08076	2.3
103.05486	1.9
105.07019	60.2
106.07352	1.7
107.04930	1.8
107.08578	35.5
109.06522	5.0
109.10148	18.3
111.08057	4.6
113.06011	1.0
113.09622	1.4
115.05447	1.1
117.07000	20.6
119.08569	45.2
121.06483	2.2
121.09262	1.2
121.10126	20.8
121.10948	1.5
123.08093	2.4
123.11693	12.3
125.09622	8.4
127.03907	0.8
128.06253	2.6
129.05458	1.6
129.06987	9.6
130.07762	1.1
131.08554	29.9
133.06470	1.8
133.10110	46.2
134.10448	1.8
135.08044	3.3
135.11676	17.9
137.09550	1.3
137.13258	1.7
139.11166	2.9
141.06923	1.9
142.07722	1.4
143.08546	12.4
144.09274	1.1
145.10110	25.3
146.10544	1.3
147.08060	1.6
147.11665	26.2
149.09592	3.6
149.13231	10.4
151.11166	10.3
153.06853	0.9
153.12636	1.1
155.08534	5.1
157.10112	11.5
159.11679	23.7
161.09578	1.3
161.12033	1.6
161.13248	14.2
163.11171	2.5
163.14806	2.4
165.12727	1.7
167.08554	1.2
169.10089	4.3
169.12265	1.5
171.11670	12.9
173.04393	1.7
173.13237	11.5
175.11201	2.8
175.14865	4.7
177.12772	4.9
179.14278	1.4
181.10150	3.3
183.11723	4.8
183.13686	5.1
184.07349	2.8
185.11650	1.3
185.13211	9.0
187.13251	4.5
187.14850	3.3
189.12732	1.2
189.16394	0.9
191.14478	1.1
193.12254	1.9
195.11748	3.6
195.13802	3.7
197.13225	3.5
199.14841	6.3
201.12875	1.2
201.14824	2.3
203.14163	1.2
206.45747	0.9
207.11653	0.8
209.13292	1.7
211.14801	2.3
213.16330	2.5
215.18111	1.0
223.14891	1.5
225.14680	1.3
227.16373	2.0
231.21057	2.0
239.18015	1.1
241.19618	8.6
243.15871	5.7
243.21010	1.0
257.17096	6.5
259.20615	29.0
260.20905	1.2
261.22156	2.7
267.15829	4.2
269.17249	6.3
271.20743	1.0
275.19931	1.5
283.20450	1.1
285.16891	1.7
285.22095	1.9
289.21762	1.3
297.22208	1.4
299.18234	2.0
301.20026	24.8
313.21783	0.9
315.23212	8.1
329.24652	0.9
331.22672	1.2
333.24213	32.0
334.24585	2.4
335.25818	4.4
341.24734	2.0
359.25653	1.0
367.22485	1.3
371.25629	0.9
391.29752	1.3
409.30814	5.6
417.31454	1.5
435.32712	8.2
453.33765	3.2
473.33838	1.2
483.34888	6.3
491.34903	1.3
501.35721	83.4
502.36047	6.2
503.37341	5.0
509.36270	7.4
515.37347	1.0
527.37274	55.9
528.37848	5.1
533.38434	7.3
545.38385	11.8
559.39984	25.5
560.40125	2.0
569.37537	0.9
577.40332	2.6
586.46912	0.9
635.38751	1.3
667.41998	1.6
671.41394	1.6
685.43146	0.9
689.42389	1.7
703.43445	2.0
774.40240	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	774.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.3
55.05502	31.7
55.99491	1.1
57.03428	22.4
57.07057	1.5
58.76606	1.0
59.04994	1.1
61.02909	5.1
65.03922	4.3
67.05494	71.2
69.03419	12.9
69.07056	34.7
70.24834	5.3
71.04977	9.8
73.02905	3.0
79.05011	2.2
79.05479	57.6
81.03404	82.7
81.07040	91.4
83.04961	23.1
83.08605	38.4
85.02889	31.0
85.06529	6.4
91.03935	2.5
91.05463	67.3
93.07028	65.7
95.04947	42.3
95.08588	36.0
97.02877	8.3
97.06508	20.7
97.10152	10.6
99.04438	2.4
99.08072	3.9
103.05421	1.5
105.04552	1.4
105.07011	55.3
107.04939	16.0
107.08572	40.3
109.02883	1.6
109.06510	11.4
109.10161	11.3
111.04409	4.9
111.08057	14.5
113.05986	4.1
113.09643	1.6
115.05424	2.1
117.07006	17.3
119.08559	41.3
121.06486	5.8
121.10123	22.6
123.08002	5.9
123.11722	6.4
125.09611	9.0
127.03891	3.0
127.07542	2.0
129.06978	18.2
131.08537	31.2
133.06464	4.4
133.10104	35.9
135.08031	5.2
135.11665	15.6
137.09592	3.6
141.06947	2.6
142.07745	3.6
143.08556	5.1
145.04982	1.3
145.06497	3.0
145.10101	15.5
147.08046	5.0
147.11656	25.0
149.09583	20.7
149.13200	15.2
151.11148	2.2
154.17336	1.3
155.08528	3.0
157.10100	22.1
159.11673	13.8
161.09541	2.0
161.13240	4.1
163.11172	8.9
165.12753	5.6
169.10136	3.9
171.11691	3.7
173.04495	2.6
173.09534	1.8
173.13258	5.2
175.11145	19.6
177.12756	5.4
183.11700	2.5
185.13243	2.7
187.14731	2.5
189.11206	4.3
193.12204	49.9
194.12460	1.6
195.13808	5.7
197.13371	1.8
199.14920	1.6
211.13255	60.5
213.14816	1.7
227.12645	7.5
229.14240	2.1
239.18001	2.5
247.20706	1.7
249.14926	2.9
253.14285	2.5
255.15868	16.2
257.18961	8.2
267.15872	45.4
268.16373	1.6
269.17432	44.6
275.20016	25.4
285.16916	66.1
291.19443	1.4
293.21078	2.1
301.64749	1.4
331.22513	2.0
349.23627	29.4
367.24716	5.7
369.23853	1.5
403.29700	1.4
421.25882	3.0
428.95126	1.3
431.29333	1.5
437.25314	2.0
443.27896	4.2
447.27420	17.0
455.26379	2.4
461.28885	52.9
462.29590	2.0
465.28403	17.9
479.29993	100.0
480.30356	2.3
541.35144	22.8
559.36188	29.5
577.36975	6.5
587.32111	2.0
608.13373	1.5
623.33691	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	773.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
55.05502	32.7
57.03431	18.0
57.07068	4.4
61.02908	12.6
65.03931	6.0
67.05492	100.0
68.86179	1.3
69.03413	9.4
69.07057	29.4
69.76465	9.5
71.04980	4.0
71.08611	2.7
73.02911	5.4
74.24797	1.3
77.03914	1.7
79.05479	77.1
81.03400	6.4
81.07040	95.7
83.04969	4.8
83.08612	14.0
85.02889	11.9
85.06525	5.2
91.03948	5.9
91.05463	71.9
93.07029	95.5
95.04947	12.0
95.08591	74.0
96.09006	1.4
97.02871	10.6
97.06517	5.7
97.10138	7.2
98.21535	1.4
99.08057	2.0
103.05448	2.9
105.04507	1.9
105.07014	74.8
107.04929	3.8
107.08570	46.4
109.06493	8.2
109.10131	32.1
111.08070	3.9
113.09653	1.6
115.05427	2.5
117.07001	26.6
119.08560	61.6
121.10123	37.8
123.08073	4.1
123.11671	8.4
125.09634	2.7
127.03893	1.8
128.06218	3.7
129.05476	2.4
129.06979	17.7
131.08545	39.9
133.06465	2.1
133.10095	44.9
135.08037	2.8
135.11664	27.9
137.09616	2.8
137.13237	2.0
141.06963	3.6
142.07816	1.7
143.08553	19.9
144.09306	2.1
145.06502	2.2
145.10092	41.3
147.11661	41.7
149.09579	2.3
149.13219	18.1
155.08572	6.2
156.09311	1.8
157.10091	20.2
159.08051	2.5
159.11667	33.0
161.09639	2.4
161.13242	28.8
163.11168	2.6
163.14801	5.3
166.50975	1.5
167.08669	1.7
169.10081	7.5
171.11649	21.3
173.09639	2.3
173.13225	23.1
175.11238	1.7
175.14833	14.0
177.12822	2.3
177.16330	1.6
181.10081	4.7
183.11728	8.7
185.13202	17.7
187.11081	2.1
187.14870	9.9
189.12714	2.3
189.16537	3.4
191.18098	1.8
195.11710	4.2
197.13194	7.8
199.10980	1.6
199.14763	9.2
201.16389	4.1
209.13326	4.0
211.11084	2.0
211.14839	4.3
213.16380	5.3
215.17920	3.5
217.15852	1.9
217.19566	1.9
223.14771	2.4
225.16310	1.8
229.19482	1.5
231.17444	1.7
231.21008	8.5
237.16319	2.5
239.18019	2.7
241.19490	28.7
243.21019	4.4
255.21194	2.3
257.18866	9.0
259.20535	55.5
261.22144	11.7
271.20502	2.9
273.22272	1.8
275.19904	2.7
277.21701	2.2
283.20547	2.5
297.22284	3.1
301.21539	3.4
313.21478	2.2
315.23343	2.1
316.22427	1.5
320.97916	1.5
325.21689	3.3
331.22760	1.8
333.20209	2.4
333.24210	39.9
335.25732	83.6
336.26242	3.1
337.27542	3.0
349.21292	2.2
351.25470	2.4
367.22540	5.8
385.23514	2.4
403.24844	2.0
411.32172	2.1
441.26385	1.8
459.27118	2.6
475.34915	1.6
519.41754	5.0
593.45667	10.9
604.40271	1.8
609.44897	4.1
611.46600	97.3
612.46558	5.0
623.46692	3.0
635.46722	2.0
677.47162	2.1
689.47131	2.3
701.46991	4.3
719.48126	2.6
737.49451	3.5
755.50110	4.5
773.51740	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	774.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.3
55.05228	3.4
55.05500	48.5
57.03150	2.3
57.03425	27.3
57.07076	2.1
59.04998	2.4
61.02906	6.5
62.82790	1.3
65.03922	4.8
67.05494	86.6
69.03416	14.6
69.07057	47.3
70.30677	4.2
70.31082	2.5
71.01340	2.5
71.04991	11.9
73.02901	3.3
79.05482	93.3
81.03405	92.2
81.07042	90.7
83.04971	27.9
83.08602	48.9
83.08981	1.0
83.09112	1.6
85.02889	38.7
85.06522	6.8
87.04442	1.6
91.03939	2.4
91.05465	93.0
93.07029	76.5
95.04951	48.9
95.08594	42.7
97.02872	12.9
97.06510	25.6
97.10153	26.4
98.21355	1.7
99.04446	3.6
99.08078	4.1
105.07011	77.5
106.07317	1.8
107.04936	22.1
107.08576	51.6
108.08922	1.5
109.02853	3.9
109.06512	13.6
109.10124	17.6
111.04447	5.5
111.08077	17.8
111.73843	1.6
113.05988	4.4
113.09605	3.2
115.05459	4.3
117.06998	18.6
119.04999	2.0
119.08562	54.5
121.06498	7.0
121.10126	27.7
123.08029	10.5
123.11715	4.6
125.09615	19.2
127.03896	5.6
127.07517	1.9
128.06172	3.0
129.06987	24.8
131.08537	39.6
132.09189	1.4
133.06496	4.9
133.10110	37.9
133.11121	2.1
134.10471	2.4
135.08075	7.7
135.11664	14.8
137.09592	6.0
137.13257	1.4
139.11162	1.8
141.06950	3.6
142.07747	3.6
143.08542	6.7
145.10085	23.7
147.08037	6.8
147.11662	38.0
149.09604	28.0
149.13232	8.3
151.11156	4.8
153.09038	1.6
155.08481	3.3
157.10112	25.1
159.11670	17.6
161.09615	1.8
161.13226	5.7
163.11163	11.3
165.12697	6.0
169.10126	4.1
171.10191	3.3
171.11646	6.2
173.04446	3.1
173.13193	8.8
175.11160	25.4
177.12679	4.7
179.14288	4.7
183.11674	2.7
185.13214	3.8
187.11145	2.7
189.11192	11.2
189.12689	2.1
193.12215	63.7
195.13733	2.6
197.13159	2.5
211.13257	99.2
212.13617	2.9
225.74670	1.5
227.12761	29.5
229.14380	3.5
229.19466	3.3
239.17918	4.6
247.20555	2.7
249.14684	1.8
253.17992	1.8
255.15872	6.7
257.18942	12.9
267.15875	42.6
269.17413	17.7
273.18518	1.6
275.20035	59.5
276.20209	2.9
285.16910	100.0
286.17221	2.7
293.21091	4.9
299.19254	1.5
313.21576	2.3
331.22656	5.3
349.23676	58.7
349.27954	3.2
367.24844	1.7
381.23145	2.6
389.17984	2.3
413.21619	2.7
437.25208	6.4
439.26895	7.0
443.27856	2.7
447.27386	8.1
455.26212	8.1
461.28903	20.8
463.30466	4.3
465.28214	10.9
479.29962	55.5
523.34094	2.9
541.35229	35.0
559.36200	75.7
560.36670	2.9
577.37390	8.9
577.97437	1.8
599.30627	2.9
623.33893	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	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.6
55.05500	30.7
57.03421	15.7
57.07061	5.7
61.02920	14.4
65.03930	5.6
67.05495	100.0
68.05811	1.9
69.03423	11.4
69.07058	25.9
71.04984	4.4
71.08614	2.1
71.81392	1.8
72.53860	1.6
73.02909	6.1
79.05012	3.6
79.05479	73.9
81.03397	11.5
81.07040	87.0
82.07374	1.7
83.04961	6.0
83.08601	13.7
85.02905	9.9
85.06528	3.1
91.03949	7.4
91.05461	65.6
93.07027	86.6
94.07371	2.1
94.51083	1.5
95.04958	15.1
95.08590	69.8
97.02867	11.5
97.06520	6.7
97.10162	6.1
99.04480	1.8
99.08078	3.6
101.02361	2.4
103.03896	1.9
103.05433	4.4
105.04509	2.7
105.07011	67.5
107.04926	3.7
107.08574	48.1
109.06499	5.4
109.10134	28.3
111.08076	3.8
111.11672	2.2
115.05456	2.5
117.06993	25.6
119.07714	3.5
119.08559	54.5
121.06548	2.9
121.10112	39.5
123.08041	4.5
123.11685	9.9
125.09608	1.9
127.03886	3.5
128.06227	4.7
129.06998	16.4
131.08553	43.3
133.06470	2.8
133.10104	41.9
135.08070	3.8
135.11671	28.5
137.09631	5.1
137.13226	2.5
141.06998	2.6
143.08551	17.1
145.06471	1.8
145.10088	34.1
147.08025	4.1
147.11655	36.6
149.09628	5.1
149.13229	13.9
155.08524	7.5
156.09427	1.7
157.10097	17.5
159.11671	30.2
160.12184	1.7
161.09665	3.6
161.13223	28.2
163.11180	5.0
163.14822	6.0
164.04068	1.8
165.06886	2.6
165.12755	1.9
167.08504	2.3
169.10100	9.0
171.08130	2.4
171.11655	20.8
173.09691	1.8
173.13240	22.0
175.14781	18.3
177.12651	2.2
177.16362	2.6
181.10095	4.2
182.10851	1.6
183.11633	9.7
184.07332	3.9
185.09613	2.3
185.13210	15.7
187.11140	2.0
187.14760	9.8
189.12744	2.0
189.16328	4.1
195.11674	6.4
197.13251	6.4
199.11224	2.9
199.14787	10.6
201.12758	2.8
201.16437	3.7
207.11671	1.8
209.13254	3.7
211.14731	5.1
213.16399	5.6
215.17946	3.0
217.15787	2.6
217.19528	2.0
225.16461	3.8
227.18008	2.2
229.19548	2.3
231.21109	5.9
239.18011	3.8
241.19542	21.6
243.21028	3.5
247.20596	1.8
250.02724	1.8
255.21167	2.6
257.19006	11.2
259.20529	45.3
261.22006	7.7
267.21277	1.9
271.20557	2.3
272.78055	1.7
273.22125	2.7
275.20111	3.0
277.21713	2.9
297.21967	2.2
299.20184	1.8
301.21600	3.5
311.23514	2.2
313.21530	1.9
315.22998	3.3
325.21646	2.2
331.22522	2.9
333.24185	30.6
335.25742	84.9
336.25955	3.2
337.27319	5.2
343.22794	3.1
351.25510	3.4
353.28409	2.3
367.22540	4.3
375.25250	2.3
385.23868	2.9
421.25549	2.2
441.26273	3.2
459.27396	2.0
519.41888	5.7
529.38715	3.1
537.43176	3.4
541.38501	2.3
593.45575	9.5
609.45300	3.9
611.46564	87.4
612.46991	4.6
623.46503	2.8
635.46973	2.8
701.47107	7.2
719.48621	4.4
737.49371	4.7
755.50299	5.5
773.52539	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	773.2122
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01846	0.1
57.03424	1.3
61.02916	1.0
61.23715	0.1
68.99755	0.2
69.03388	0.4
70.06561	0.2
70.46764	0.4
71.04978	8.5
73.02901	0.6
75.04478	0.6
81.03372	0.3
83.04950	0.5
85.02890	11.0
86.06775	0.1
87.04440	0.3
91.03932	0.7
93.03349	0.2
95.04937	0.2
97.02857	1.0
98.20731	0.1
99.04411	0.2
103.03800	0.1
109.02850	0.4
111.00759	0.6
111.04408	0.3
112.03883	0.1
121.02841	0.6
123.04352	0.2
127.03879	0.8
129.05455	2.3
132.53387	0.1
135.04359	0.2
136.07559	0.1
137.02309	2.5
137.05963	0.2
139.03831	0.2
145.04919	0.4
147.04329	0.2
147.06490	0.9
149.02293	0.3
153.01797	2.1
161.05972	0.2
163.03812	0.4
165.01811	1.8
166.02582	0.2
173.05927	0.1
177.05502	0.1
183.02882	0.7
187.03893	0.2
191.03384	0.2
195.02901	0.1
201.05437	1.1
205.04895	0.2
211.03828	0.1
215.03185	0.1
219.02824	0.2
219.06497	0.2
222.14845	0.1
229.04916	3.0
229.07184	0.2
239.22896	0.1
247.05942	0.6
257.04388	2.5
257.06912	0.2
274.04797	0.5
275.05322	0.1
285.03928	1.2
302.04321	0.2
302.46411	0.1
303.04932	100.0
304.05258	1.9
315.04706	0.2
327.04684	0.1
341.95743	0.1
345.05966	0.4
369.06061	0.2
447.08960	0.2
449.10663	0.3
465.10208	26.1
466.10764	0.5
586.91302	0.1
611.15759	0.2
627.15509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2122
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01839	0.3
55.05460	0.2
57.03423	1.6
59.04974	0.1
61.02891	0.4
64.62804	0.1
68.99763	0.3
69.03082	0.1
69.03413	1.4
69.69840	0.5
69.70275	0.6
70.06557	0.2
71.01312	0.2
71.04979	8.4
73.02871	0.4
75.04436	0.4
77.25355	0.1
81.03409	0.7
83.04945	0.4
85.02889	12.1
87.04408	0.4
95.04916	0.2
97.02869	1.1
99.04405	0.4
107.04945	0.2
109.02837	0.5
109.06501	0.1
111.00793	0.7
111.04419	0.2
121.02831	0.6
123.04411	0.4
125.02255	0.1
127.03913	1.1
129.05461	2.6
130.05028	0.1
130.41164	0.1
131.04889	0.1
137.01273	0.1
137.02310	2.4
137.05913	0.2
139.03851	0.1
145.02774	0.1
145.04884	0.5
147.04378	0.2
147.06503	0.8
149.02274	0.3
151.03773	0.1
153.01785	2.0
154.98631	0.1
161.05937	0.2
163.03859	0.5
165.01796	1.4
167.03015	0.1
167.06964	0.2
173.05922	0.2
173.90385	0.1
183.02974	0.6
183.04355	0.1
187.03937	0.2
189.01694	0.1
191.03345	0.2
195.02835	0.3
201.05476	0.7
203.03235	0.2
205.04823	0.3
207.02869	0.2
219.02859	0.5
219.06494	0.2
229.04927	2.7
237.26173	0.1
243.02644	0.2
246.05052	0.2
247.05965	0.8
257.04398	2.0
261.03876	0.1
273.03824	0.2
274.04620	0.5
285.03955	1.1
286.04797	0.1
303.04932	100.0
304.05267	2.1
315.05038	0.2
327.04730	0.1
345.05902	0.4
369.06088	0.2
447.09290	0.2
465.10199	28.5
466.10229	0.7
617.14069	0.2
627.15765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.8
55.05502	38.7
57.03152	1.1
57.03426	18.6
57.07056	1.8
59.04988	2.3
59.59805	0.8
60.81076	0.7
61.02911	5.3
65.03927	3.4
66.19506	0.9
67.05493	52.0
67.38393	0.8
69.03416	14.7
69.07057	39.9
70.81033	1.3
70.81393	2.2
71.01325	1.3
71.04977	7.8
73.02902	0.9
79.05479	57.2
81.03404	53.4
81.07040	63.1
83.01337	3.0
83.04965	22.4
83.08604	32.6
85.02890	23.4
85.06527	3.2
87.04453	1.1
91.03946	1.7
91.05464	48.0
93.07025	49.0
94.04161	1.2
95.04952	29.8
95.08588	27.6
97.02872	16.2
97.06515	11.6
97.10155	22.1
97.10791	1.1
99.04426	2.8
99.08080	2.3
103.05459	1.9
105.07011	39.1
106.07334	1.0
107.04938	18.6
107.08577	32.3
109.02855	2.1
109.06499	11.1
109.10134	14.7
110.78040	0.8
111.04421	3.4
111.08060	9.3
113.05959	1.9
115.05418	2.7
117.06992	15.3
119.04967	1.9
119.08556	35.5
120.08915	0.9
121.06510	7.8
121.10114	21.3
123.04362	1.3
123.08057	9.4
123.08908	1.4
123.11691	3.8
125.06001	1.1
125.09614	12.2
127.03904	1.8
128.06210	2.3
129.05469	1.8
129.06975	12.7
130.07733	0.9
130.08614	1.3
131.04991	1.0
131.08543	22.3
133.06451	5.8
133.10107	20.2
134.07251	2.5
135.08052	6.8
135.11655	10.5
137.09613	3.4
139.11182	0.9
141.06836	1.2
142.07744	3.1
143.08531	4.9
145.06477	2.2
145.10112	18.4
147.08018	8.1
147.11664	16.4
149.09590	12.3
149.13228	3.4
151.11171	3.8
153.09111	2.2
153.12679	1.6
155.08490	2.1
157.10106	14.3
159.08022	1.9
159.11671	4.9
161.09596	4.5
161.13210	2.4
162.10396	1.1
163.11159	12.9
165.09116	1.7
165.12732	3.1
169.10146	1.9
169.12253	1.1
171.10229	1.6
171.11658	3.1
173.09619	2.5
173.13220	2.5
175.11168	12.6
177.12730	3.1
181.12173	2.0
183.11632	1.1
184.07376	1.7
185.13217	1.2
187.11223	1.3
189.11180	7.8
189.12668	1.2
191.10625	1.1
193.12199	31.3
194.12683	1.0
195.13731	2.3
197.13344	1.0
205.12273	2.3
209.11664	2.5
209.72281	0.9
211.13249	47.1
212.13551	1.0
219.13857	1.0
223.13272	20.9
227.12741	22.2
229.14153	0.9
233.15315	0.9
239.17978	1.5
245.18958	1.2
247.20541	1.2
249.14836	5.6
253.14339	2.2
255.15717	2.1
257.19012	3.3
263.19897	1.8
265.14258	0.8
267.15872	29.4
269.17358	7.5
273.18430	16.3
275.20038	13.8
283.12219	1.4
283.15347	31.6
285.16919	50.0
289.18057	1.2
291.19489	100.0
292.19879	3.8
293.21017	1.3
309.20578	1.2
313.21790	2.0
331.22699	1.8
347.22107	2.6
349.23688	13.2
365.23196	50.0
366.23553	2.3
367.24805	1.1
393.02820	0.8
437.25348	3.1
445.25638	1.3
453.24759	2.8
459.27399	2.7
461.28766	1.6
463.26910	5.8
465.30411	1.0
477.28433	24.3
478.29062	1.5
495.29407	2.3
529.34937	1.3
539.33502	4.4
540.62018	0.8
557.34662	62.5
558.35205	3.2
575.35675	70.6
576.36108	4.0
719.38464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.1
55.05500	20.9
57.03427	8.5
57.07049	1.5
61.02910	1.6
65.03914	1.8
67.05493	40.3
69.03421	4.5
69.07055	24.2
70.03313	0.7
70.84855	0.8
70.85207	2.2
71.04972	3.4
72.89243	0.6
73.02498	0.7
73.02905	2.3
79.05478	42.0
81.03405	6.9
81.07039	41.3
81.07415	0.6
81.07529	1.4
83.04967	7.4
83.08604	13.1
85.02884	2.6
85.06519	2.7
91.05461	25.7
93.07025	55.6
95.04958	11.0
95.08587	44.7
96.08924	1.3
97.02862	5.6
97.06512	11.4
97.10149	8.8
98.21310	0.9
99.04416	3.7
99.08087	1.1
103.05468	1.4
103.06927	0.7
105.06310	1.5
105.07010	25.5
107.04942	12.3
107.08572	47.3
109.02779	0.6
109.06512	5.7
109.10129	9.2
111.04427	1.6
111.08051	2.8
113.05961	0.7
113.09602	1.1
115.05388	1.5
117.06997	16.0
119.07705	1.5
119.08553	23.2
121.06487	8.3
121.10123	20.5
123.08035	2.5
123.11694	1.0
125.05983	3.3
125.09595	8.4
127.03886	1.2
129.05423	1.1
129.06958	4.0
130.07745	2.0
131.08539	10.8
133.06500	0.9
133.10114	13.9
135.08051	4.8
135.11665	56.1
136.11926	0.8
137.09576	1.7
139.07484	2.7
141.06940	1.0
143.08543	4.3
143.10645	0.7
145.06425	0.8
145.10095	37.4
147.08049	0.8
147.11664	6.9
149.09595	9.4
149.13191	3.5
151.11145	1.3
153.12758	1.5
157.10071	1.9
159.11665	7.2
161.09535	1.1
161.13216	3.2
163.11151	68.8
165.12694	1.2
169.10075	1.8
171.11642	1.8
173.04439	0.9
173.09531	1.8
173.11821	0.9
173.13210	3.6
175.11171	1.7
177.12750	2.1
179.14252	2.9
181.12196	10.9
183.11653	1.7
187.11127	1.4
187.14796	0.9
189.11192	5.5
191.14197	0.8
193.12149	0.8
195.13750	1.2
197.13234	1.5
209.11658	2.3
227.12737	100.0
228.13103	1.8
229.14297	1.2
229.19452	1.6
233.15355	0.9
239.17911	2.5
247.20586	1.2
253.14369	1.0
253.17827	1.3
255.15894	4.7
257.18982	10.0
267.15903	4.0
269.17432	9.2
273.18427	0.9
275.20010	27.6
283.15347	63.9
284.15747	1.1
285.16998	0.8
291.19299	3.9
293.21112	2.5
321.24243	0.9
331.22638	4.0
349.23657	40.7
350.23810	0.9
365.23154	2.5
367.24750	2.2
379.21127	2.1
389.18353	0.8
413.21057	1.0
437.25293	3.1
453.24640	7.4
461.28809	3.6
463.26840	11.0
477.28391	43.1
478.29153	1.5
493.27502	0.8
539.33636	2.6
557.34637	62.5
558.34863	2.3
560.53333	0.7
575.35736	9.1
597.28699	0.8
621.32477	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	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.4
55.05504	28.6
55.78163	1.2
57.03428	13.8
57.04165	1.0
57.07067	1.0
59.04994	1.6
61.02914	4.4
65.03928	4.1
67.05493	61.4
69.03414	11.2
69.07058	24.6
70.59728	3.1
71.04977	7.4
77.03876	1.4
79.05482	48.6
81.03013	1.0
81.03406	53.3
81.07043	73.6
83.04968	21.1
83.08609	24.4
85.02896	16.9
85.06544	6.8
91.05464	72.2
92.05811	1.3
93.07030	48.0
95.04379	2.3
95.04953	28.4
95.08592	23.5
97.02880	7.0
97.06521	7.4
97.10171	11.5
99.04435	2.2
99.08067	3.8
103.05473	1.8
105.07013	54.6
107.04932	14.1
107.08576	35.9
109.02848	1.9
109.06503	12.6
109.10144	42.8
111.04433	2.9
111.08083	9.0
113.06009	3.1
115.05466	2.5
117.06999	12.6
119.08569	31.9
121.06499	8.6
121.10123	14.5
123.04368	1.6
123.07257	1.4
123.08002	6.6
123.11682	8.4
125.05959	1.4
125.09633	6.1
127.07536	3.0
128.06241	1.5
129.06975	13.5
131.08549	24.6
133.06483	7.1
133.10104	64.2
135.08015	7.9
135.11678	7.4
137.09590	5.0
139.07608	1.3
141.07028	1.3
142.07782	2.5
143.08536	6.7
145.06470	1.4
145.10112	11.0
147.08031	6.8
147.11658	17.3
149.09618	10.8
149.13231	2.3
151.11165	23.2
153.09100	1.4
155.08626	1.4
157.10115	16.0
159.08022	2.2
159.11713	5.1
161.09607	9.1
161.13206	3.3
161.45839	1.1
163.07465	1.5
163.11147	6.6
165.06801	1.0
165.12762	3.0
169.10069	2.1
169.12253	3.5
171.10324	1.2
171.11702	3.9
173.09673	1.5
173.13200	2.3
175.11179	14.9
177.05232	1.0
177.09123	1.4
177.12679	2.1
179.10660	2.8
179.14311	1.5
181.10068	1.5
181.12265	1.4
183.11703	1.2
185.13257	2.9
187.11185	1.4
189.11185	2.1
193.12210	33.4
195.11703	1.2
195.13737	1.5
203.14323	1.3
211.13251	53.8
215.12749	2.7
223.13242	5.8
224.40425	1.1
227.12781	4.4
233.15341	1.2
245.19014	3.9
249.14769	2.4
251.12663	3.0
253.14320	100.0
254.14758	1.8
255.17569	1.6
259.20566	1.7
263.20078	3.8
263.47144	1.0
267.15894	19.6
271.15359	1.9
273.18457	24.2
275.20157	2.6
279.51505	1.1
283.15375	3.0
285.16931	46.3
287.19897	1.1
291.19495	57.7
292.19894	3.1
293.20270	1.4
309.20782	1.5
329.21326	1.3
333.24127	1.3
338.25006	1.1
347.22119	9.9
365.23163	49.5
366.23477	3.0
445.25797	4.7
451.32068	1.3
463.26898	16.5
477.28275	1.5
481.27734	7.4
525.35706	5.2
539.33484	6.0
543.36932	11.6
557.34607	34.1
558.35205	1.7
575.35657	83.0
576.36121	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	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	20.7
55.05500	42.4
57.03430	25.1
57.07056	3.3
59.04989	1.5
61.02915	7.5
61.72770	1.4
65.03919	6.6
67.05492	92.0
68.99779	1.7
69.03422	16.4
69.07055	45.7
71.01340	2.9
71.04981	12.1
71.24751	3.9
79.05480	82.5
80.05814	2.5
81.03405	79.4
81.07041	100.0
82.07398	1.7
83.01318	8.4
83.04964	29.1
83.08603	31.4
85.02888	19.8
85.06525	7.9
85.06972	1.4
91.03955	2.0
91.05465	80.5
92.05799	3.2
93.07026	87.0
95.04952	48.9
95.08592	43.4
97.02870	16.6
97.06499	17.3
97.10154	16.7
99.04440	6.0
99.08105	5.1
103.05452	4.0
105.07014	66.2
106.07315	2.1
107.04938	27.3
107.08576	59.8
109.02847	2.8
109.06499	21.0
109.10137	37.4
111.04425	7.7
111.08060	14.4
113.06008	3.1
113.09612	2.1
115.05417	4.6
116.06248	1.6
117.06998	24.6
119.04905	3.7
119.08560	49.1
119.09406	3.4
121.06488	15.2
121.10129	32.1
123.04429	1.9
123.08035	13.2
123.11694	7.4
125.05948	2.2
125.09602	14.9
127.03889	3.4
127.07536	2.7
128.06178	2.0
129.05486	1.8
129.07002	15.2
130.07777	2.9
131.08545	31.0
133.06476	8.0
133.10109	54.7
135.04388	2.1
135.08057	12.3
135.11659	26.6
135.18475	1.9
137.05942	2.5
137.09592	6.6
139.07510	2.2
141.06996	3.9
142.07733	2.0
143.08548	11.9
145.06464	4.6
145.10098	30.7
147.07991	11.8
147.11673	18.9
149.09596	16.6
149.13219	9.9
151.07484	5.1
151.11191	16.0
153.12769	2.6
155.08501	3.0
157.06444	1.9
157.10110	18.0
159.08057	2.9
159.11655	11.6
161.09592	8.1
161.13237	3.6
162.10313	1.8
163.11156	27.2
163.12442	2.5
165.09137	2.0
165.12766	3.6
169.10095	1.9
169.12238	2.1
171.11676	7.1
173.09666	3.8
173.13278	5.2
175.07628	1.6
175.11142	16.1
177.09262	1.6
177.12730	4.3
179.10616	3.3
181.12216	3.2
183.11714	2.6
184.07359	3.1
185.13239	2.8
187.11110	2.0
189.09087	3.6
189.11185	5.1
191.10643	3.3
193.12199	24.9
195.11688	2.4
195.13803	4.4
205.12186	2.3
209.11676	6.2
211.13257	30.7
219.13777	3.2
223.13251	13.4
227.12749	13.7
245.18968	3.1
249.14804	3.7
251.16502	2.0
253.14291	35.2
255.15657	8.4
257.19016	3.0
259.20682	1.8
265.14426	2.3
266.92822	1.7
267.15878	56.8
268.16342	2.1
269.17404	26.1
271.15448	3.0
273.18396	21.3
275.19977	16.7
276.20258	1.8
283.15359	67.6
284.15768	4.8
285.16949	34.1
289.17731	2.1
291.19501	68.2
292.19763	4.9
309.20340	2.0
331.22473	1.7
347.22055	9.0
349.23688	12.7
365.23172	48.7
366.23502	3.4
367.24210	2.1
413.21530	2.7
437.25131	2.7
437.87894	2.1
445.26038	4.1
447.29013	2.2
459.27258	7.2
463.26810	31.5
465.29666	1.9
477.28406	90.4
478.28683	5.0
481.27786	6.2
539.33514	10.2
557.34644	88.2
558.34851	6.5
575.35620	71.6
576.35730	6.3
592.39099	2.5
773.40405	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	772.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.3
55.05503	32.8
57.03431	23.2
57.07056	1.5
59.04712	1.6
59.04996	30.6
61.02917	3.0
65.03938	4.5
65.05733	1.4
67.05496	85.3
68.35146	1.3
69.03426	12.0
69.07057	16.6
70.06578	2.3
71.01349	2.4
71.04984	26.0
73.02912	3.0
77.22134	1.3
77.92963	1.3
79.05484	50.5
81.03408	100.0
81.07046	52.9
82.07405	2.0
83.04966	24.1
83.08609	34.8
83.85429	1.6
85.02899	17.5
85.06530	8.3
86.03248	1.4
87.04460	34.7
91.05471	49.8
93.07036	42.6
94.07410	1.4
95.04955	39.7
95.08597	24.6
97.02879	8.4
97.06535	10.7
97.10158	21.9
99.04447	14.6
99.08091	3.6
103.03909	1.3
103.05463	1.9
104.04548	1.3
105.07021	34.1
106.07361	1.9
107.04951	22.1
107.08586	29.8
108.73866	1.4
109.02885	4.3
109.06503	10.3
109.10145	55.4
110.10494	2.0
111.04425	14.9
111.08075	13.6
113.06033	1.7
113.09615	1.4
114.09148	1.5
115.03912	1.4
115.05460	3.9
117.07012	13.6
119.04958	1.7
119.08572	32.5
121.02849	2.0
121.06497	11.7
121.10136	24.9
123.04421	6.1
123.08069	10.8
123.11688	2.6
125.05972	2.7
125.09617	20.2
127.03888	2.5
127.07530	1.6
129.05502	2.4
129.06995	17.5
131.04945	2.7
131.08543	25.2
133.06480	5.8
133.10118	21.5
134.10425	2.0
135.04419	6.1
135.08038	8.2
135.11676	12.7
137.05997	6.6
137.09605	4.8
137.13342	2.2
139.07588	1.8
141.06978	2.7
142.07802	3.4
143.08546	4.5
143.10622	1.8
145.02905	1.7
145.06488	5.1
145.10103	13.7
147.04405	6.2
147.08028	8.8
147.11670	19.6
149.06001	4.9
149.09586	21.7
149.13136	1.5
151.07576	1.9
151.11218	2.5
153.09117	7.9
153.12721	10.1
155.08478	3.2
155.10698	1.9
157.06461	2.3
157.10124	20.3
159.08084	1.9
159.11726	4.0
161.05983	4.7
161.09605	3.9
161.13231	2.0
163.07507	2.4
163.11159	18.3
165.12755	4.3
167.07153	1.4
167.10666	3.5
169.10133	3.1
171.08047	3.5
171.10214	1.7
171.11658	2.5
173.05965	1.4
173.09595	7.3
173.11742	11.8
173.13142	2.1
175.11157	18.3
175.14795	2.4
177.05437	5.9
177.09135	2.1
177.12703	1.8
181.12183	8.9
183.11653	2.4
184.07445	1.9
185.13280	2.6
187.11177	4.2
189.05440	1.6
189.09351	2.1
189.11174	14.6
189.12672	2.2
191.10677	8.6
193.12224	58.1
194.12593	1.9
197.09636	2.6
197.13382	1.8
197.15363	3.9
199.11539	2.0
199.13226	8.9
201.12759	2.2
203.14293	4.4
205.12257	2.4
209.11673	10.7
211.11331	2.3
211.13257	45.2
213.12740	3.1
215.10876	1.6
217.12282	3.2
217.14244	2.3
219.13762	4.2
221.15369	2.1
223.13298	3.8
225.14813	13.6
227.12753	21.2
229.12212	3.2
229.14323	39.9
230.14534	1.6
231.13834	4.1
233.11665	1.6
235.13326	4.9
241.14323	4.0
247.13229	7.4
249.14861	17.4
251.12755	1.5
259.13306	3.9
263.16446	3.0
265.14395	2.4
267.15887	62.5
273.14835	3.5
275.12619	1.4
277.14133	2.5
283.15387	13.9
295.15714	2.0
301.14383	2.4
303.15854	2.5
309.16760	3.0
315.17990	6.9
337.21588	5.1
347.19968	3.7
355.22498	8.9
357.24521	1.8
365.21048	12.7
373.23773	5.2
383.17242	1.6
383.22150	33.6
391.24933	1.7
401.23221	27.8
403.24371	2.6
415.24704	7.6
419.24329	2.4
421.25858	25.9
429.26501	1.6
433.25937	7.3
447.27402	4.2
457.25970	8.9
457.35800	1.8
458.36456	1.9
459.27161	1.9
463.26382	1.5
465.27859	1.5
475.26917	29.4
475.37186	2.0
476.36798	2.0
489.28351	4.6
493.28064	12.1
507.29434	26.5
508.29614	2.1
517.27771	1.9
525.30737	11.9
754.46729	1.9
772.41425	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	771.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	2.1
55.02056	0.9
55.05433	8.7
55.05718	1.1
57.03354	3.8
57.07001	1.5
61.02843	12.9
61.03190	1.6
65.03848	1.4
67.05416	20.5
67.05817	2.1
69.03339	7.4
69.06976	9.7
69.07384	0.9
70.06501	1.3
71.01286	0.9
71.04906	1.8
71.08520	0.5
73.02824	7.0
73.03271	0.6
73.19166	0.4
77.84355	0.4
79.05395	13.8
81.03320	5.0
81.06958	22.8
81.07481	1.6
83.04954	2.6
83.08607	5.4
83.41623	0.4
85.02892	11.1
85.06458	1.1
87.04388	0.9
91.03942	7.2
91.05463	13.2
92.05711	0.5
92.06225	0.4
93.07029	16.5
93.07565	0.8
94.07281	0.6
95.04964	3.0
95.08593	18.3
97.02875	11.1
97.06496	2.3
97.10154	3.7
98.21589	0.8
99.04326	1.3
99.08012	0.9
101.02375	2.1
103.05370	0.9
105.04407	0.7
105.07015	14.3
106.07266	0.5
107.04842	1.3
107.08577	10.4
108.08849	0.5
109.02763	1.3
109.06409	1.8
109.10144	8.1
111.04387	0.6
111.07975	1.3
112.93977	0.4
112.99766	0.4
115.03812	0.7
115.05326	1.8
116.06104	0.4
117.06995	9.5
119.08562	13.9
121.06416	1.0
121.10127	7.5
122.23369	0.4
123.07953	1.7
123.11674	2.6
125.09546	1.4
127.03906	2.2
128.06168	3.0
129.05380	0.8
129.06978	8.9
131.08548	11.8
133.10107	8.8
134.10435	0.6
135.07961	1.0
135.11659	4.8
137.09541	0.9
137.13120	0.6
139.07484	0.4
139.11057	0.8
141.06972	4.5
142.07751	2.6
143.08548	11.1
144.09061	0.6
145.04863	0.9
145.06371	0.9
145.10097	11.6
147.07919	0.7
147.11668	5.8
149.09590	0.9
149.13226	2.8
151.14687	0.5
153.06866	1.2
154.07643	1.1
155.08521	8.7
156.09180	1.3
157.10115	11.3
158.10719	0.9
159.11670	8.4
161.13243	3.0
163.11122	0.6
163.14700	1.1
165.06920	1.3
165.12642	0.5
166.07764	0.5
167.08562	4.4
168.09232	1.3
169.10106	13.1
170.10597	0.8
171.07954	0.6
171.11659	11.6
172.12184	0.6
173.09586	0.5
173.13222	4.7
175.14807	0.9
177.12737	0.6
177.16336	0.6
179.08429	2.0
180.09174	0.9
181.10098	7.2
182.10791	1.2
183.11665	11.1
184.07283	0.5
184.12297	0.7
185.11737	0.6
185.13220	7.8
187.11017	0.6
187.14822	4.1
189.16292	1.1
191.08469	0.5
192.09311	0.6
193.10110	2.5
194.10732	0.8
195.10019	0.6
195.11655	8.4
196.12479	0.7
197.13217	9.7
198.13609	0.7
199.14804	5.7
201.16225	1.9
203.14136	0.4
205.10045	1.3
206.10654	0.6
207.11681	4.0
207.13438	0.8
209.13242	7.5
210.13721	0.8
211.14763	5.7
213.16356	2.2
215.17827	1.2
217.12048	0.4
219.11526	1.7
220.12230	0.5
221.13206	2.6
223.14822	4.0
224.15305	0.6
225.16397	4.8
227.14226	0.5
227.17949	2.9
229.19444	0.6
231.11545	0.8
232.12384	0.4
233.13052	1.3
235.14871	2.2
237.16248	3.3
239.17996	2.7
241.19427	1.3
245.18973	0.5
247.14766	0.8
249.16252	1.7
251.17773	1.3
253.19315	1.4
255.17180	0.6
255.21277	0.5
257.18964	0.5
261.16272	0.6
263.17844	1.9
265.19424	1.5
269.18704	0.6
271.20523	0.8
275.20212	0.9
277.19571	1.0
279.21027	0.7
281.18893	0.6
281.22791	0.5
285.22025	0.4
291.20773	0.7
293.22379	0.5
297.22174	0.9
299.20041	0.6
299.23645	0.5
307.20111	0.5
309.21985	0.8
311.23492	0.7
313.21506	0.7
321.22025	1.2
323.23520	1.2
325.25418	0.7
327.22986	0.9
329.24585	0.5
335.25854	1.4
337.21378	0.7
337.25159	1.4
339.26764	0.7
349.25009	1.0
351.26572	1.5
353.24628	0.8
353.28558	0.7
355.26279	0.6
361.25104	0.7
363.26807	0.5
365.28366	0.8
375.26450	0.5
377.28381	1.0
379.26123	0.7
381.27554	0.9
391.30029	0.6
415.30075	0.5
431.33585	0.5
447.32172	1.3
449.33954	0.6
461.33731	0.7
475.34589	0.7
481.33548	0.6
499.39859	0.8
501.35400	1.1
513.35840	0.6
515.38098	1.0
517.40411	7.1
525.36169	0.7
527.37531	1.2
535.41724	3.1
539.37103	1.6
541.38977	1.5
573.43042	0.7
591.44037	8.6
592.45032	0.6
607.42944	2.7
608.43982	0.6
609.45026	100.0
610.45306	3.6
611.47253	0.6
621.45001	1.5
625.42383	0.5
627.45587	0.6
633.44977	1.0
651.46234	1.2
675.45856	0.8
699.45758	0.8
717.47040	1.2
735.49060	1.0
753.49799	2.4
771.50214	18.3
772.50848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05501	11.1
57.03428	5.5
57.07056	1.3
59.04999	0.5
61.02916	17.0
65.03934	1.0
65.09220	0.3
67.05495	23.9
68.65057	0.4
69.03419	7.7
69.07059	10.6
69.44984	2.2
69.45423	2.6
71.01333	1.5
71.04969	1.8
71.08602	0.8
73.02905	8.9
77.03909	0.4
79.05008	0.9
79.05480	16.2
81.03407	4.2
81.07045	22.6
83.04965	1.8
83.08603	6.5
85.02895	13.9
85.06510	1.2
87.04428	0.5
91.03946	7.8
91.04902	0.8
91.05472	13.9
93.07034	16.3
93.07638	0.8
95.03563	0.4
95.04952	2.3
95.08593	17.6
97.02883	10.6
97.03438	0.3
97.06510	1.8
97.10146	2.7
99.04430	1.4
99.08090	0.9
101.02399	1.9
103.03925	0.6
105.07019	12.3
105.15759	0.4
107.04942	0.8
107.08575	10.6
109.02860	1.8
109.06487	1.3
109.10135	8.1
111.04432	0.7
111.08085	1.1
112.99114	0.4
115.03909	0.8
115.05458	1.1
116.06162	0.4
117.07005	7.4
119.08560	12.4
121.10124	7.5
123.08062	1.0
123.11680	2.4
125.09587	1.9
127.03889	2.9
128.06180	2.5
129.06989	9.3
130.07742	0.9
131.08542	12.0
132.09291	0.5
133.06490	0.5
133.10117	7.9
135.08044	1.1
135.11668	4.6
137.09622	0.7
137.13210	0.9
139.11217	0.4
141.06950	3.7
141.77470	0.4
142.07776	2.3
143.08539	10.0
145.04903	1.0
145.06458	0.6
145.10092	12.2
147.11653	5.9
149.13214	2.0
153.06929	0.9
154.07704	1.3
155.08530	8.4
156.09294	1.3
157.08832	0.8
157.10107	11.2
159.11667	9.1
161.13255	3.2
163.11128	0.5
163.14799	1.1
165.06966	1.1
166.07761	0.8
167.08554	4.6
168.09302	2.0
168.85883	0.4
169.10107	13.6
170.10872	0.6
171.07945	0.7
171.11667	10.9
172.12186	0.6
173.09618	0.7
173.13213	5.0
175.11086	0.5
175.14842	2.8
177.12764	0.6
177.16487	0.5
179.08545	2.2
180.09270	0.9
181.10107	7.3
182.10844	1.7
183.11661	13.8
184.12387	0.8
185.11646	0.3
185.13219	7.8
186.13719	0.5
187.11230	0.5
187.14751	2.8
189.16342	1.4
191.08513	0.6
191.14174	0.4
191.18100	0.5
193.10075	2.8
194.10820	1.0
195.11681	7.9
195.13463	0.5
196.12335	0.5
197.13234	8.7
199.11371	0.5
199.13203	0.6
199.14810	5.8
201.16324	1.3
203.17857	0.6
205.10075	0.6
207.11696	2.9
208.12479	0.7
209.13237	6.4
210.13907	0.6
211.14801	5.4
213.14709	0.4
213.16382	2.6
215.18004	1.2
219.11667	1.0
221.13246	3.1
223.14832	4.1
225.16342	3.4
227.18109	2.2
229.19550	0.6
233.13235	1.1
235.14774	1.7
237.16298	4.0
239.17885	2.1
241.15903	0.5
241.19536	1.4
247.14825	0.9
249.16373	1.0
251.17990	2.0
253.19537	1.2
255.21094	0.5
256.47800	0.5
257.19055	0.4
259.20493	0.5
261.16284	0.7
263.17896	1.2
265.19507	1.3
267.21045	0.7
271.20456	0.7
275.20035	0.7
277.19492	0.8
279.20920	0.7
283.20560	0.8
285.22217	0.6
291.20889	0.6
293.22498	0.5
295.20459	0.7
297.22113	1.0
299.19958	0.7
309.22009	0.8
311.20212	0.6
311.23465	0.8
321.21912	0.9
323.23700	1.3
325.21515	0.6
325.25305	1.2
327.23245	0.6
335.23492	0.8
337.25354	1.3
339.23135	0.7
349.25168	0.9
351.26831	1.3
361.25162	0.8
363.26797	0.6
365.28259	1.4
367.26266	0.8
377.28259	0.6
379.30316	0.7
381.27750	0.5
391.30038	0.9
393.31802	0.8
395.29419	0.6
409.30969	0.7
415.29245	0.4
429.31375	0.5
433.30396	0.7
447.32635	0.9
449.48389	0.5
459.31311	0.7
461.34067	0.9
465.34033	0.5
473.32672	0.9
475.34467	0.6
495.34424	0.5
499.33679	0.9
501.35526	1.7
513.35413	0.8
515.37402	1.1
517.40271	6.1
518.40594	0.9
521.36304	0.9
523.37457	0.6
525.34869	0.7
527.37268	0.9
533.40417	0.5
535.41650	3.3
539.37146	2.1
540.37830	0.7
541.38611	1.5
553.39001	0.7
555.41937	0.5
567.40967	0.5
573.42688	0.9
581.42108	0.8
591.44092	7.2
607.43250	2.4
609.45044	100.0
610.45496	6.1
611.46185	0.9
621.45038	0.9
633.44971	0.6
651.45605	1.1
699.46594	0.5
717.46570	0.7
735.47772	1.4
753.48492	1.8
771.50726	18.9
772.50140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
55.05512	1.9
57.03434	1.1
57.07070	2.7
61.69588	0.6
66.80361	0.6
67.05497	5.9
69.03426	1.7
69.07063	2.0
69.63427	6.6
70.82833	0.6
71.01347	1.4
71.04958	1.2
71.08633	2.1
73.02911	1.6
79.05475	3.0
81.03421	4.3
81.07051	5.4
83.04980	0.9
83.08619	1.5
85.02904	2.9
85.10194	1.4
91.05482	3.6
93.07018	3.6
95.04968	2.0
95.08597	5.0
97.02857	1.0
97.10172	1.5
98.20733	1.5
105.07000	3.3
107.08614	2.1
109.10126	3.2
113.02391	0.8
117.06976	1.5
119.08572	2.8
121.10130	1.6
123.08094	0.7
129.06984	1.3
131.03404	0.7
131.08588	2.8
133.10110	1.2
135.11668	0.9
136.06183	1.7
138.06900	0.6
139.40039	0.7
147.11665	1.7
149.09717	1.2
149.13167	0.8
151.11241	0.8
157.10143	1.5
175.11230	1.0
184.07347	0.8
193.12335	0.8
199.02133	0.7
223.46393	0.6
267.15927	1.0
275.20148	2.0
278.93814	0.8
283.15164	5.8
293.21201	0.7
306.85062	0.6
313.27527	2.1
335.25812	2.5
339.17889	2.4
349.23868	0.8
402.03476	0.8
437.18018	0.8
465.17331	7.0
483.29233	1.5
511.28717	6.5
545.38263	3.1
595.41833	2.8
609.44983	1.5
721.41235	45.9
722.41626	3.7
753.44257	1.4
771.44904	100.0
772.45074	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	770.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96696	0.6
54.14096	0.6
55.01860	5.1
55.05500	14.1
57.03429	6.8
57.07048	1.0
61.02909	1.0
61.83105	0.7
65.03925	1.9
67.05494	46.4
68.05804	0.7
69.03433	3.3
69.07060	17.9
70.14149	1.7
70.14561	1.8
71.01321	1.2
71.04980	3.5
77.03909	0.6
77.93097	0.7
79.05479	52.0
81.03411	8.5
81.07041	49.1
83.04969	11.5
83.08611	7.5
85.02898	2.4
85.06530	2.8
91.05464	42.7
93.07027	51.9
95.04384	1.2
95.04951	14.9
95.08589	24.2
97.02875	2.3
97.06508	8.4
97.10149	2.6
98.21466	0.7
99.08089	1.7
103.05418	0.8
105.04475	1.0
105.07016	31.7
107.04929	6.5
107.08576	24.0
109.02862	0.7
109.06497	5.8
109.10124	7.8
111.04424	1.5
111.08047	3.8
115.05439	1.6
117.07002	10.1
119.08563	20.9
121.06493	3.7
121.10130	8.3
123.08053	3.3
123.11691	2.5
125.09629	1.9
127.03913	1.5
127.07539	1.3
128.06245	1.8
129.05463	1.1
129.06970	10.5
130.07811	0.9
131.08542	9.3
133.06497	1.4
133.10106	15.3
135.08057	2.8
135.11678	8.7
137.09671	1.2
139.07530	1.0
139.11169	0.7
141.06975	0.7
143.08549	6.5
145.10104	11.2
147.08014	2.4
147.11668	23.3
149.09590	6.6
149.13248	6.1
151.11142	2.4
155.08566	1.1
156.09239	1.0
157.10124	2.0
159.07979	1.0
159.11693	6.9
161.09567	3.1
161.13229	6.6
163.11115	4.6
169.10146	1.2
171.11661	13.4
172.12207	0.6
173.04497	1.2
173.13239	1.0
175.11163	0.9
177.12759	2.6
179.14281	1.3
185.13168	0.9
189.12726	5.7
195.11906	0.6
195.13727	3.3
207.13791	11.3
225.14882	1.6
239.18002	1.1
251.16478	0.8
253.14200	3.5
255.15898	3.4
257.18951	3.4
267.16006	1.0
269.17468	14.5
273.18274	0.8
275.20020	11.9
281.17419	36.9
283.15381	1.2
291.19391	0.7
331.22495	1.1
349.23706	8.4
349.27521	1.2
365.23474	1.0
367.24713	1.7
435.27371	1.0
451.26874	0.8
457.29633	1.2
461.28946	19.6
462.29092	0.9
475.30493	100.0
476.31067	2.1
537.35583	1.2
555.36737	20.0
556.36536	0.8
573.37891	5.8
595.31207	0.9
619.34558	1.9
725.57227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.5
55.05505	36.5
57.03433	18.7
57.07064	2.6
59.05000	1.7
61.02914	4.4
65.03934	3.6
67.05496	86.0
68.05817	1.4
69.03423	10.8
69.07059	40.3
71.01353	1.7
71.04980	8.3
71.79758	1.6
73.02903	2.4
73.06542	1.2
77.03893	1.3
79.05482	99.1
80.05823	3.0
81.03403	22.8
81.07045	87.8
82.07365	1.2
83.01342	2.8
83.04973	25.7
83.08606	24.7
85.02887	9.1
85.06523	4.9
86.03336	1.1
86.09723	1.7
87.04460	1.4
91.03940	2.4
91.05466	92.0
92.05798	3.2
93.07032	100.0
94.07368	1.9
95.04955	31.6
95.08594	49.5
96.08920	1.9
97.02881	11.7
97.06514	19.9
97.10148	13.1
99.04456	2.3
99.08080	4.2
101.06060	1.2
103.05445	2.4
105.04459	1.5
105.07014	71.5
106.07294	1.5
107.04939	17.2
107.08577	51.3
109.02844	4.6
109.06525	13.0
109.10142	19.5
111.04418	2.8
111.07410	1.6
111.08048	7.2
111.11723	1.5
113.06052	1.3
115.05431	3.4
116.06212	1.9
117.07005	30.0
117.07790	2.3
119.04908	1.3
119.08566	56.8
121.06503	7.2
121.10130	23.5
123.08061	13.3
123.11693	5.5
125.00015	1.6
125.05975	1.2
125.09593	8.1
127.03889	3.0
127.07512	1.3
128.06172	2.0
129.05502	1.9
129.06990	25.8
130.07707	3.4
131.07797	0.8
131.08549	30.2
133.06470	5.3
133.10110	35.7
135.08081	7.7
135.11664	17.5
137.09604	4.3
139.07535	1.3
141.06995	3.4
142.07741	3.3
143.08536	15.7
145.06444	2.2
145.10103	40.0
146.08104	2.4
146.10574	1.7
147.08034	7.2
147.11664	47.8
149.09607	12.0
149.13190	5.5
151.11130	3.1
153.08981	1.6
155.08517	4.8
157.10100	10.4
159.08044	1.3
159.11664	21.0
159.13887	1.3
160.12062	1.8
161.09605	7.9
161.13220	15.2
163.11162	15.4
163.14847	1.2
165.08992	1.9
165.12750	1.4
167.08548	2.1
169.10104	7.7
171.10226	1.5
171.11667	27.7
172.12038	1.1
173.09657	2.3
173.11827	1.7
173.13231	11.3
175.11197	4.4
175.14839	2.9
177.12764	4.4
179.14305	3.2
181.10077	1.6
181.12202	2.8
182.10796	1.5
183.11694	4.8
184.07310	5.2
185.13249	10.1
187.11136	2.8
187.14772	3.5
189.09091	2.0
189.11194	2.6
189.12738	10.4
191.14211	1.6
193.12181	1.6
195.11736	2.3
195.13739	1.8
197.13211	4.4
198.15106	1.2
199.14775	2.2
201.12794	1.3
201.16389	1.4
203.14261	2.7
205.12108	2.0
205.15822	1.4
207.11809	1.6
207.13782	25.0
208.14290	1.6
209.11584	2.0
209.13371	2.5
213.16350	1.6
217.15918	2.0
219.17413	2.9
223.13200	6.3
225.14915	2.5
227.12762	13.6
229.14296	1.4
229.19286	2.3
239.17902	7.8
247.20462	2.4
253.14316	4.7
255.15944	4.2
257.19000	22.0
259.20499	3.2
267.15762	11.1
269.17526	10.0
273.18497	6.4
275.20041	40.4
276.20474	2.0
279.15921	4.3
281.17432	78.8
282.17679	3.4
283.15384	34.9
284.15656	1.9
291.19507	33.4
292.19952	2.1
293.21094	4.8
309.20926	1.5
331.22519	8.1
333.24155	2.5
349.23737	27.0
365.23218	20.4
366.23599	2.2
367.24911	2.4
377.23117	2.5
391.24655	1.6
435.27173	1.7
451.26721	6.0
453.24734	1.6
457.30008	1.3
459.30951	2.6
461.28973	16.3
463.31958	2.7
475.30594	45.3
476.30545	4.7
493.27972	1.8
497.32678	2.4
506.31165	1.8
515.34161	1.3
537.35815	9.6
541.35345	18.1
543.30066	1.5
555.36829	66.7
556.37018	4.6
559.35931	1.8
573.33899	34.8
574.34302	4.9
608.43597	4.6
730.50623	1.4
749.47858	2.8
749.97626	4.1
750.48590	2.3
770.49377	1.8
771.38525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.8
55.05501	31.1
57.03429	10.8
57.07049	2.1
59.04996	1.4
61.02912	2.8
65.03915	3.4
67.05491	80.3
69.03413	6.6
69.06676	1.6
69.07052	32.1
69.75697	3.2
69.76126	4.8
71.04966	6.9
73.06538	2.4
77.03914	2.4
79.05478	100.0
81.03407	16.6
81.07041	86.0
83.04967	20.7
83.08604	15.5
85.02879	4.4
85.06521	4.8
91.05460	87.7
93.07024	94.2
95.04947	31.5
95.08587	46.9
95.09097	0.8
95.84481	1.0
97.02871	4.1
97.06514	18.0
97.10145	13.5
98.06808	1.0
98.20689	2.0
99.04428	2.1
99.08087	2.9
103.05434	1.8
105.04476	2.1
105.07008	65.9
107.04933	15.1
107.08568	49.5
107.09313	1.5
109.02855	2.3
109.06500	11.8
109.10124	14.6
111.04372	1.0
111.08059	4.5
113.09617	1.7
115.05424	2.5
117.06995	20.9
119.08562	44.0
121.06489	8.0
121.10122	15.8
123.08060	5.9
123.11692	3.6
125.09591	9.7
127.03886	3.4
127.07543	2.4
128.06207	3.1
129.05446	1.8
129.06976	19.1
130.07787	1.9
131.08551	16.3
133.06454	3.0
133.10100	29.8
135.07961	5.2
135.11665	12.6
137.09570	2.9
139.07500	1.0
141.06915	2.5
142.07736	1.6
143.08536	13.2
145.06476	3.1
145.10097	26.5
147.08040	3.1
147.11653	46.3
149.09592	14.3
149.13255	6.6
151.11194	2.0
153.08989	1.2
155.08562	2.3
156.09422	1.3
157.10101	4.9
159.08191	1.1
159.11667	12.7
161.09605	6.0
161.13243	13.6
163.11191	11.6
169.10115	2.2
171.10233	1.4
171.11668	31.9
173.04425	2.8
173.11862	1.5
173.13251	4.8
175.11113	1.1
177.12747	3.9
179.14313	4.2
183.11705	2.8
185.13182	1.3
187.11221	2.1
187.14732	1.4
189.11172	4.4
189.12721	11.8
190.51070	1.1
195.13725	2.8
197.13196	1.4
207.13765	32.4
207.15598	2.3
215.65016	1.1
225.14804	3.2
227.12747	21.7
229.19499	2.9
239.17877	4.4
245.75237	1.0
247.20628	1.9
248.20961	1.0
253.14369	3.0
255.15825	5.3
257.18973	12.5
267.15781	1.3
269.17429	12.6
275.20007	41.7
276.20450	1.4
279.15866	2.3
279.20929	1.3
281.17422	89.2
282.17755	3.1
283.15387	3.7
293.21051	2.6
331.22650	4.0
349.23636	33.5
365.23264	2.1
367.24716	2.8
377.22916	2.1
413.21811	2.3
435.27432	7.6
451.26788	5.4
457.29361	1.5
459.30991	3.0
461.28922	28.4
462.29462	2.0
475.30469	99.3
476.30780	4.2
479.26553	2.1
515.33441	1.8
527.36908	2.2
537.35730	5.5
555.36737	84.0
556.37109	5.5
573.38190	9.6
595.30353	1.6
619.34430	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	769.4714
Annotation	Pittoside A
Peak:m/z	Relative Intensity
55.01864	1.7
55.05502	3.9
57.03429	10.7
59.04983	1.2
61.02916	2.0
67.05486	5.4
69.03419	14.2
69.07057	5.1
70.06574	1.8
71.01338	1.7
71.04981	65.9
72.08140	1.2
73.02905	9.1
75.04465	3.2
77.03917	0.6
79.05480	3.6
81.03407	4.9
81.07042	8.7
83.04967	11.2
83.08609	1.8
84.08140	0.8
85.02892	100.0
85.06524	1.1
86.03214	0.8
86.09690	0.8
87.04436	2.5
89.05972	0.6
91.05465	5.6
93.07023	8.5
95.04944	3.2
95.08588	12.4
96.08117	0.8
97.02875	13.2
97.06522	1.8
97.10131	1.4
98.20699	0.9
99.04435	9.9
99.08083	1.0
101.05994	0.8
103.03924	0.8
103.05477	1.1
105.07015	8.7
105.14964	0.5
107.04948	1.3
107.08574	10.9
109.02838	2.7
109.06519	2.0
109.10137	11.9
110.10494	0.6
111.04424	5.4
113.05991	0.6
114.09165	1.5
115.03910	7.7
115.05392	0.5
117.03354	0.5
117.05491	4.2
117.06986	0.9
119.04935	1.4
119.08568	9.2
121.02871	1.6
121.06482	2.3
121.10125	9.8
123.04462	1.5
123.08077	1.6
123.11689	8.1
124.07569	1.2
125.05990	1.1
125.09615	3.2
127.03891	4.3
127.11194	2.4
129.05455	24.4
130.05788	0.6
130.08629	1.4
131.04886	1.7
131.08501	3.1
133.04987	1.0
133.06432	1.1
133.10101	8.9
135.04413	1.4
135.08041	1.2
135.11670	9.0
137.05945	4.6
137.09543	1.0
137.13248	2.6
139.03868	2.7
139.07530	0.9
139.11218	0.8
141.12714	0.6
143.08546	1.6
143.10683	1.9
145.02901	2.4
145.04933	4.3
145.06500	0.6
145.10098	5.8
146.06018	0.8
146.08057	0.8
147.04410	2.8
147.06514	6.5
147.08109	0.9
147.11659	5.7
149.05948	0.8
149.09602	1.7
149.13225	3.6
151.03922	0.9
151.07524	1.0
153.12726	0.8
155.08470	0.6
157.04962	0.9
157.10144	3.0
159.08063	0.8
159.11658	5.7
160.12003	0.5
161.05959	1.4
161.09595	0.9
161.13229	4.2
163.03914	2.6
163.06055	1.9
163.07513	1.4
163.11139	1.4
163.14799	2.0
165.05484	0.8
165.09137	0.7
167.07074	1.4
167.10651	0.5
167.14333	0.6
169.10083	0.7
171.06606	1.0
171.11679	3.3
173.09613	1.0
173.13229	3.2
175.03902	1.2
175.11159	1.5
175.14847	1.9
177.05464	4.3
177.09084	0.9
177.16409	1.4
179.07027	0.9
179.10648	0.8
179.14304	0.8
181.04921	1.0
183.11641	0.8
185.13345	1.8
187.11154	1.7
187.14795	3.4
189.05458	0.5
189.12723	1.0
189.16341	3.6
191.17923	3.3
193.04971	0.6
193.12285	0.6
197.13237	1.5
199.07625	0.6
199.14812	1.3
201.05753	0.5
201.12703	0.5
201.16364	2.6
203.17871	2.5
205.12218	0.9
205.15752	0.9
207.06537	2.2
210.14972	0.6
211.14908	0.8
213.16487	1.5
215.10686	0.7
215.14278	0.6
215.17970	0.7
217.12225	0.7
217.15889	0.8
217.19556	0.9
219.10078	0.6
219.13803	0.9
225.07474	3.5
225.16431	0.6
227.14413	0.7
227.18004	1.0
231.17442	0.6
235.16850	0.5
241.15881	0.6
241.19368	0.7
243.08687	2.0
247.16949	1.9
248.09544	0.5
249.18585	0.7
251.11938	0.9
255.21158	1.7
257.18958	0.7
259.20541	0.6
261.09579	1.4
263.08209	1.2
263.11691	1.0
265.13293	0.9
267.16003	0.9
273.22165	0.6
275.20084	0.6
275.61118	0.6
277.09735	0.6
278.10153	0.7
279.10968	3.0
284.11307	0.8
301.21579	0.9
309.12170	0.6
311.13855	0.7
315.23267	2.9
369.27756	0.7
383.20410	0.7
395.33154	2.5
397.16324	1.1
409.34619	1.5
419.33157	2.3
427.14908	1.0
428.15759	1.1
437.34146	12.7
438.34583	1.2
455.14642	2.4
455.35141	27.3
456.15198	1.6
456.35571	2.1
461.14554	1.1
473.36224	32.4
474.36548	1.5
487.17471	0.6
513.33716	0.6
539.33978	0.8
554.24542	0.5
559.23370	0.7
571.35132	0.6
580.22717	2.9
587.39392	0.9
605.40308	12.0
606.40601	0.9
612.25177	1.9
733.44769	3.6
751.46118	28.3
752.46265	1.7
769.26898	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	769.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.8
55.05497	5.4
57.03425	14.5
57.07066	1.4
58.03782	0.3
59.04985	1.5
61.02915	2.0
65.03931	0.7
67.05493	7.0
69.03417	16.0
69.07059	5.5
69.15042	0.3
70.03779	0.3
70.98331	0.2
71.01349	3.0
71.04980	67.5
71.79826	0.4
72.05339	0.4
73.02903	15.9
73.06535	0.6
74.09692	0.2
75.04466	17.3
79.05479	4.5
81.03410	2.4
81.07040	10.4
81.72046	0.3
83.04964	12.0
83.05463	0.6
83.08614	2.7
85.02889	100.0
85.06529	1.7
86.03220	0.5
86.06071	0.4
87.04455	3.1
89.06010	0.3
91.05461	5.4
93.07024	10.2
94.07391	0.4
95.04951	3.0
95.08590	14.7
96.08918	0.4
97.02873	14.5
97.06519	1.4
97.10139	2.0
99.04439	9.3
99.08087	1.2
101.05983	2.3
103.03930	0.5
103.05447	0.5
105.07014	8.5
105.07703	0.5
106.07342	0.4
107.04951	1.3
107.08572	15.7
109.02872	0.8
109.05820	0.3
109.06493	1.7
109.10136	14.7
111.04421	10.7
111.08067	1.1
111.11678	0.4
113.06030	0.8
113.09644	0.4
115.03912	10.1
116.04267	0.3
117.05472	3.7
117.06969	1.4
119.04942	0.3
119.08559	12.0
121.06499	1.5
121.10123	11.9
122.10447	0.4
122.32552	0.2
123.04444	0.8
123.08059	1.2
123.11681	9.6
125.05980	0.9
125.09599	4.5
125.10443	0.3
126.48696	0.3
126.99561	0.2
127.03899	2.9
127.11169	3.2
128.06244	0.4
129.05455	24.6
129.07031	1.1
130.07646	0.3
131.08531	4.2
133.04953	2.5
133.06477	0.7
133.10104	11.6
134.10461	0.4
135.04379	0.4
135.08054	2.4
135.11664	11.4
137.05927	0.7
137.09607	1.1
137.13229	4.5
139.03870	2.2
139.07515	0.5
139.11154	0.7
141.12732	0.9
142.07790	0.4
143.08562	2.6
143.10651	6.1
143.11702	0.4
144.09346	0.3
145.04922	2.1
145.10092	6.8
146.10669	0.3
147.04474	0.4
147.06496	8.0
147.08005	0.9
147.11658	7.1
147.12834	0.4
147.31885	0.3
149.05945	0.4
149.09569	1.5
149.13234	5.5
150.13560	0.3
151.03899	0.3
151.07574	0.7
151.11156	0.5
151.14786	0.5
153.05490	0.7
153.09166	0.3
153.12746	1.2
155.07047	0.3
155.08545	0.8
156.09239	0.3
157.04959	1.6
157.10121	3.4
158.10803	0.5
159.08067	0.7
159.11656	6.8
159.12903	0.4
161.09540	1.7
161.13235	6.0
161.14490	0.5
163.03900	0.5
163.06033	1.7
163.07401	0.4
163.11174	0.8
163.14796	3.3
165.09088	0.4
167.07060	0.4
167.10698	0.6
167.14363	0.5
169.04930	0.6
169.10118	1.2
170.10823	0.2
171.06488	2.2
171.11684	3.6
172.12277	0.3
173.09645	0.9
173.11827	0.4
173.13214	4.8
175.07578	0.3
175.11169	0.8
175.14778	3.1
175.72331	0.3
177.05492	0.4
177.09128	0.6
177.12775	0.7
177.16377	2.2
179.07066	0.3
179.10689	0.8
179.14328	0.8
181.04997	0.3
181.10133	0.7
183.11690	1.2
185.13232	3.0
187.11160	0.6
187.14793	4.5
189.12808	0.8
189.16338	4.6
191.10632	0.5
191.14366	0.7
191.17908	3.7
193.12274	0.5
193.15860	0.4
195.06497	0.7
195.11676	0.6
197.13219	1.5
199.05933	0.4
199.11075	0.4
199.14830	2.4
200.15230	0.3
201.12679	0.7
201.16364	3.8
203.10594	0.3
203.14316	1.0
203.17943	4.2
204.34424	0.3
205.12315	0.3
205.15909	0.7
207.06520	1.0
207.13768	0.4
209.13237	1.2
211.14830	1.3
213.16371	2.0
215.14308	0.8
215.17935	1.5
217.07077	0.5
217.15875	0.8
217.19411	1.8
219.13873	0.5
219.17513	0.7
221.15324	0.5
223.14861	0.6
225.07532	3.3
225.16415	1.1
227.14388	0.6
227.17862	1.2
229.16051	0.6
229.19521	1.0
231.13821	0.7
231.17398	0.6
233.15373	1.0
233.18977	0.4
235.16936	0.7
237.16507	0.7
239.18031	0.6
241.19473	1.0
243.08594	2.7
243.17531	0.6
243.21085	0.4
245.15393	0.6
247.16910	2.0
247.20627	0.5
249.18518	0.5
251.17967	0.6
253.19604	0.5
255.17365	0.5
255.21043	1.8
257.19055	0.6
257.22513	0.3
259.17062	0.3
259.20547	0.8
261.09674	1.8
261.18573	0.5
263.16428	0.5
267.16010	0.3
267.21078	0.7
269.19385	0.4
269.22705	0.7
271.20505	0.3
273.18579	0.3
273.22162	0.9
275.20120	0.4
279.10760	1.0
281.22577	0.4
283.20721	0.5
285.18774	0.3
285.22144	0.7
287.20074	0.4
289.21707	0.4
293.22430	0.3
297.22110	0.9
299.20120	0.4
299.23697	1.0
301.21667	1.0
303.23190	0.6
309.25656	0.6
311.23584	0.3
313.21759	0.4
313.25275	0.4
315.23154	4.5
315.26553	0.5
317.24759	0.4
319.22690	0.5
323.27728	0.3
329.24426	0.3
331.22549	0.3
333.25293	0.4
339.26727	0.4
341.24725	0.4
351.26953	0.6
353.24594	0.4
353.28583	0.4
359.26053	0.4
367.25961	0.3
369.27802	0.7
377.32178	0.5
391.33444	0.5
395.33090	3.4
407.33246	0.4
409.34579	2.0
419.32941	2.9
421.25815	0.4
437.34088	14.6
438.34393	0.9
453.33661	0.4
455.35144	41.7
456.35507	1.8
457.35583	0.6
473.36188	58.4
474.36557	3.3
475.37045	0.5
491.37317	1.1
587.39063	1.2
605.40363	23.2
606.40540	1.4
607.41132	0.4
608.35699	0.7
623.41241	0.8
698.05554	0.3
704.45660	0.3
733.45087	3.5
751.46106	29.8
752.46533	2.3
769.46246	0.5
770.40448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4715
Annotation	Pittoside A
Peak:m/z	Relative Intensity
55.01846	1.6
55.05500	3.7
57.03426	10.6
57.07064	0.9
59.04986	1.3
61.02910	1.0
67.05487	4.9
68.58957	0.3
69.03413	11.8
69.07051	4.2
69.70739	1.1
69.71156	1.0
71.01337	2.4
71.04977	67.6
72.05302	0.7
72.94578	0.3
73.02898	8.3
74.67847	0.3
74.87656	0.3
75.04460	3.5
77.03915	0.3
79.05476	3.4
81.03406	1.9
81.07035	8.0
82.07384	0.3
83.04963	10.4
83.08601	1.7
85.02886	100.0
85.06511	1.4
86.03223	0.9
87.04438	2.8
91.05457	3.0
93.07025	7.1
95.04943	2.2
95.08586	10.3
97.02871	13.2
97.06522	1.0
97.09647	0.3
97.10126	1.7
99.04433	8.6
99.08067	1.1
101.05994	0.5
103.03954	0.5
105.07005	6.5
105.51361	0.3
107.04926	0.7
107.08572	10.8
108.08916	0.5
109.02820	1.0
109.06489	1.3
109.09389	0.5
109.10137	10.7
110.10468	0.4
111.04420	6.8
111.08057	0.7
111.11678	0.6
113.05959	0.5
115.03087	0.5
115.03905	8.1
116.18810	0.3
117.05466	3.7
117.06978	0.9
119.08555	8.2
121.06513	0.5
121.10119	8.6
123.04409	0.6
123.08065	0.9
123.11674	6.7
125.09602	4.9
125.13293	0.3
127.03883	1.7
127.11169	2.7
129.05450	24.7
129.06995	0.6
130.05814	0.4
131.08553	2.8
133.04936	1.2
133.06483	0.4
133.10100	8.6
135.04370	0.3
135.08060	1.4
135.11661	7.7
136.11995	0.3
137.05962	0.3
137.09605	0.9
137.13237	2.7
139.03867	2.5
139.07498	0.5
139.11125	0.6
141.12729	0.6
142.07669	0.4
143.03448	0.4
143.08621	1.4
143.10648	6.1
145.04932	2.5
145.10101	5.7
147.06493	6.2
147.07855	0.6
147.11652	5.4
149.09592	1.5
149.13223	4.3
151.03882	0.4
151.07436	0.4
151.11157	0.4
151.14780	0.4
153.05447	0.6
153.09064	0.5
153.12701	1.3
155.08521	0.5
156.09239	0.3
157.04929	0.9
157.10083	2.2
159.08066	0.4
159.11665	4.8
160.12210	0.4
161.05965	0.3
161.09576	1.2
161.11897	0.3
161.13231	4.8
163.05965	2.0
163.07263	0.4
163.11176	0.8
163.14777	2.2
165.09065	0.3
165.12759	0.3
167.10735	0.5
169.10098	0.8
170.10851	0.3
171.06496	1.7
171.11687	2.4
173.09581	0.9
173.13237	3.7
175.11093	0.9
175.14832	1.9
177.09219	0.4
177.12759	0.3
177.16356	2.0
179.07040	0.3
179.10574	0.6
179.14236	0.5
183.11629	0.9
185.13182	2.7
187.11133	0.5
187.14769	3.2
189.12737	0.6
189.14578	0.4
189.16342	3.3
191.10590	0.5
191.14198	0.4
191.17903	3.0
195.11641	0.5
197.13217	1.0
199.06047	0.3
199.14775	1.9
201.12735	0.5
201.16367	2.8
203.14226	0.4
203.17912	2.7
205.12212	0.4
205.15837	0.7
206.76060	0.3
207.06502	0.4
207.17433	0.5
209.13321	0.3
211.14778	1.1
213.12631	0.5
213.16313	1.4
215.14275	0.8
215.17876	1.6
217.15871	0.6
217.19490	1.3
219.17326	0.4
223.14696	0.6
225.07552	2.9
225.16307	0.6
226.17113	0.3
227.14265	0.4
227.17834	0.9
229.15907	0.7
229.19371	0.7
231.17343	0.8
233.15294	1.0
235.16829	0.3
239.17906	0.5
241.19411	1.0
243.08495	2.0
243.17407	0.4
245.15269	0.8
247.16895	1.5
249.18468	0.3
251.17943	0.4
252.05722	0.3
253.19534	0.5
255.17236	0.3
255.21040	1.1
257.18994	0.6
259.17020	0.4
259.20554	0.8
261.09537	1.4
267.21011	0.5
269.22635	0.5
273.21979	0.5
279.10614	1.1
279.20871	0.5
281.22461	0.3
283.20532	0.4
285.21997	0.5
299.23553	0.4
301.21518	0.7
309.25516	0.4
313.21497	0.5
313.25015	0.4
315.23062	2.2
319.22513	0.5
325.25439	0.3
333.25253	0.5
351.26514	0.3
359.25998	0.4
369.27856	0.7
379.29773	0.4
395.33133	2.6
397.31116	0.3
409.34424	1.7
413.34192	0.6
419.32983	3.0
425.34018	0.4
427.35391	0.4
437.34085	10.1
438.34427	0.5
455.35110	26.2
456.35690	1.5
473.36163	36.4
474.36600	1.8
491.36218	0.7
572.89166	0.3
587.39246	0.7
605.40308	11.4
606.40063	0.9
708.61475	0.4
733.44879	2.9
734.48810	0.3
751.46075	34.8
752.46460	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	769.472
Annotation	Pittoside A
Peak:m/z	Relative Intensity
53.70532	0.2
55.01853	1.3
55.05502	3.6
57.03428	10.8
57.07061	1.0
59.04988	0.9
60.44646	0.2
61.02910	0.9
65.03931	0.6
67.05496	3.7
69.03418	13.2
69.07056	3.3
71.01350	2.1
71.04980	68.2
71.08639	0.2
72.05309	0.5
73.02903	8.5
73.06536	0.7
75.04469	5.4
79.05477	2.6
79.52567	0.2
81.03408	1.7
81.07045	7.2
83.04966	9.8
83.08606	1.8
84.05314	0.4
85.02890	100.0
85.06512	1.4
86.03239	0.8
87.04461	2.7
91.05453	3.6
91.35390	0.2
93.07028	6.1
95.04951	1.9
95.08590	9.9
96.08958	0.3
97.02873	12.6
97.06518	1.1
97.10146	1.2
99.04438	8.5
99.08064	1.2
101.06001	0.7
103.03932	0.7
105.07011	5.9
106.07367	0.3
107.04980	0.4
107.08573	10.5
108.08944	0.2
109.02892	0.6
109.06525	1.3
109.10138	9.5
111.04421	6.4
111.08078	0.4
111.11688	0.4
113.02361	0.7
113.05975	0.4
113.09637	0.4
115.03910	7.3
117.05478	3.6
117.06955	1.0
119.08560	7.8
120.08951	0.3
121.06533	0.9
121.10124	8.7
122.10465	0.3
123.04430	0.8
123.08057	0.8
123.11692	5.8
125.05974	0.6
125.09609	4.3
127.03899	2.4
127.07560	0.5
127.11184	2.7
129.05455	25.4
131.08537	2.4
133.04987	1.2
133.06487	0.5
133.10107	7.2
135.04417	0.7
135.08034	1.5
135.11673	7.3
136.12025	0.4
137.05974	0.7
137.09613	2.1
137.13217	2.6
138.09941	0.7
139.03886	2.3
139.11180	0.7
141.09129	0.3
141.12708	0.8
142.07756	0.3
143.03413	0.3
143.07454	0.3
143.08549	1.4
143.10654	6.2
145.04927	2.6
145.10104	4.6
145.11197	0.4
147.06505	6.3
147.08025	0.6
147.11658	5.0
149.05981	0.3
149.09595	1.3
149.13235	3.8
151.03929	0.3
151.07552	0.4
151.11183	0.5
153.05469	0.4
153.12764	0.8
155.08521	0.5
157.04916	1.0
157.10080	2.3
158.10834	0.3
159.08070	0.5
159.11668	4.1
161.06007	0.2
161.09602	1.2
161.13249	4.4
163.03941	0.4
163.05995	1.5
163.11191	0.6
163.14783	2.1
165.05486	0.3
165.09081	0.3
165.12756	0.4
167.14325	0.3
169.04955	0.4
169.10088	0.7
171.06532	1.7
171.07977	0.3
171.11649	2.3
172.12381	0.2
173.09637	0.5
173.13246	3.8
175.11189	0.7
175.14812	2.2
177.12730	0.4
177.16383	1.7
179.10675	0.7
179.14252	0.4
181.10110	0.2
183.06680	0.3
183.11714	1.0
184.12257	0.2
185.09724	0.2
185.13223	2.1
186.13736	0.2
187.11133	0.5
187.14789	2.9
188.15338	0.3
189.12700	0.5
189.16350	3.8
191.10620	0.3
191.14282	0.4
191.17935	2.9
193.12221	0.3
195.06584	0.3
195.11734	0.4
195.13689	0.3
197.13268	1.0
199.06018	0.4
199.09630	0.2
199.14778	1.8
201.12750	0.4
201.16359	3.2
203.14346	0.5
203.17961	2.3
205.15887	0.6
207.06523	0.4
207.13792	0.2
207.17471	0.6
209.13283	0.4
209.65283	0.2
211.14845	0.8
213.07535	0.2
213.16322	1.9
215.14359	0.5
215.17934	1.2
217.15836	1.1
217.19463	1.1
219.13823	0.4
219.17310	0.4
221.15428	0.4
223.14827	0.4
223.16792	0.3
225.07539	3.1
225.09357	0.3
225.16389	0.8
227.14394	0.4
227.17859	1.1
229.15918	0.4
229.19516	0.6
231.13846	0.4
231.17487	0.7
233.15303	1.2
233.19083	0.4
235.16989	0.5
237.16360	0.4
239.17981	0.7
241.15860	0.3
241.19482	0.8
243.08606	1.9
243.17566	0.3
243.20967	0.4
245.15350	0.5
247.16994	1.2
249.18564	0.3
251.17804	0.2
253.19577	0.7
255.17374	0.3
255.21066	1.4
259.16891	0.3
259.20535	0.7
261.09641	1.8
261.18655	0.4
261.21997	0.4
265.19620	0.3
267.21130	0.4
269.22739	0.5
271.20535	0.4
273.18790	0.2
273.22223	0.6
275.20123	0.5
279.10626	1.1
283.20682	0.5
285.22183	0.7
287.19989	0.3
295.20456	0.2
297.22214	0.4
299.23676	0.4
301.21561	0.6
309.22391	0.2
309.25745	0.3
311.23895	0.3
313.21689	0.5
314.86389	0.2
315.23163	2.5
325.25336	0.3
327.23129	0.3
329.24768	0.4
333.25568	0.4
339.26794	0.5
351.26746	0.6
355.26352	0.2
359.26016	0.3
367.29797	0.5
369.27829	0.7
379.29935	0.5
381.28256	0.2
393.31122	0.3
395.33118	2.5
397.30988	0.9
401.32080	0.4
407.33087	0.5
409.34909	1.2
419.33044	3.1
425.34259	0.6
427.35370	0.3
437.34085	13.1
438.34296	0.4
453.33810	0.4
455.35132	28.8
456.35657	1.0
471.34521	0.3
472.34854	0.3
473.36179	33.8
474.36496	1.4
547.37799	0.2
587.39545	0.6
605.40381	11.1
606.40924	0.7
733.45105	2.9
751.46106	38.5
752.46515	2.5
769.46338	1.1
780.93591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4717
Annotation	Pittoside A
Peak:m/z	Relative Intensity
55.01860	2.0
55.05500	4.8
57.03426	14.7
57.07056	1.7
58.73230	0.4
59.04993	2.2
59.15189	0.4
61.02907	2.4
62.20121	0.5
63.58914	0.4
65.03928	0.9
67.05490	5.5
69.03414	12.2
69.07058	4.1
71.01350	2.3
71.04977	86.7
72.05314	0.8
73.02901	16.7
73.06533	1.2
75.04463	4.9
79.05464	6.2
81.03407	1.6
81.07042	13.9
83.04964	10.6
83.08591	3.5
85.02888	100.0
85.06511	3.2
86.03218	0.9
87.04464	2.8
89.06039	0.7
91.05456	6.2
93.07022	13.0
95.04935	3.0
95.07990	1.0
95.08591	16.4
96.08932	0.6
97.02869	11.4
97.03805	0.6
97.06496	2.0
97.10150	4.3
99.04432	3.5
99.07435	0.5
99.08074	6.8
101.05983	0.8
103.03936	0.9
105.07008	14.3
107.04956	1.0
107.08569	28.1
108.08929	0.7
109.06510	2.6
109.10133	13.4
111.04423	6.2
111.08082	2.2
113.02406	0.4
113.05980	0.6
115.03905	9.4
115.04675	0.7
117.05478	1.4
117.06973	1.9
119.08560	14.3
120.08862	0.6
121.06490	1.3
121.10121	19.7
123.08050	1.4
123.11697	5.4
125.05953	1.4
125.08682	0.7
125.09608	16.7
127.03915	1.6
127.07527	2.3
127.11174	3.6
129.05452	21.0
129.07001	1.0
131.08527	6.5
133.04927	2.0
133.10097	14.6
135.08018	9.9
135.11659	5.2
137.09604	3.8
137.13199	0.7
139.03862	2.2
139.11185	2.2
142.07768	0.5
143.08612	2.8
143.10646	32.0
144.09343	0.5
145.04907	1.0
145.10100	14.0
147.06491	5.9
147.07999	0.6
147.11655	11.0
149.09590	16.7
149.13220	13.9
151.11136	3.1
151.14745	0.5
155.08583	0.7
157.04980	1.0
157.10103	4.4
159.06451	0.4
159.11667	12.1
161.09642	2.1
161.13229	16.0
163.11183	1.8
163.14824	1.9
165.12773	0.7
167.10703	1.0
167.14267	0.7
169.04871	0.5
169.10165	1.1
171.06526	1.5
171.11649	4.3
172.12434	0.4
173.09647	0.8
173.13235	8.7
174.13634	0.5
175.11212	1.1
175.14810	5.6
177.12746	1.4
177.16338	6.1
178.69815	0.4
179.14162	0.5
181.10124	0.5
183.11687	1.9
185.08087	0.8
185.13205	3.5
187.14783	6.7
189.12729	0.9
189.16353	12.8
191.14246	2.0
191.17931	1.6
193.15878	0.5
195.11702	0.8
196.32611	0.5
197.13254	1.4
199.09634	0.9
199.14766	4.7
201.16360	5.1
203.09169	1.1
203.14389	0.9
203.17963	2.2
205.15854	6.0
207.17387	4.7
209.13458	0.7
209.15404	1.5
211.14825	1.5
213.12720	0.4
213.16341	4.7
215.14316	1.3
215.17896	4.4
217.10706	3.4
217.15829	7.9
217.19487	1.5
219.17349	2.2
221.13411	0.5
221.15450	0.5
223.14783	1.1
223.16893	0.9
225.07549	2.8
225.16380	1.0
227.17973	1.9
229.15866	1.3
229.19507	1.0
231.17406	8.6
233.15332	3.5
233.18993	1.6
235.16907	3.2
237.16457	0.6
239.17906	1.0
241.19460	0.9
243.08629	2.7
243.17371	0.8
243.20816	0.5
245.19002	1.0
247.16835	0.4
248.68204	0.4
249.18495	2.6
251.17889	0.9
253.19496	1.2
255.21101	1.7
257.18951	0.7
259.20593	0.7
261.09589	0.9
267.21204	0.9
269.18765	0.4
269.22812	0.6
271.20584	1.4
273.22098	1.0
279.10764	1.8
279.20981	0.6
285.22363	0.6
291.21216	0.6
293.22592	1.2
297.22083	1.0
299.23624	1.1
309.22281	0.6
309.25705	1.5
311.23682	0.7
315.23038	0.5
315.26627	0.4
321.25687	0.6
325.25101	0.8
327.26837	1.1
331.26309	1.3
333.25626	1.4
339.26874	1.7
349.28958	1.1
351.26749	1.1
355.29843	0.6
357.27829	1.7
361.28818	0.5
367.29962	1.7
379.29898	7.0
385.31058	0.8
395.32928	0.6
397.30878	12.8
398.31284	0.8
401.31921	0.7
407.33145	3.5
409.34445	0.5
419.32996	9.2
421.34744	0.5
425.34079	12.2
425.39838	0.7
435.32690	0.8
437.34061	32.4
438.34317	1.2
439.35663	1.0
455.35123	56.4
456.35605	3.1
473.36163	33.1
474.36636	2.0
491.36874	0.8
547.37634	0.6
565.38409	0.9
569.39380	0.5
583.39630	1.2
587.39417	1.1
601.40869	2.1
605.40344	16.2
606.40997	0.6
619.41962	12.6
620.42236	1.2
623.39398	0.5
733.45264	3.9
734.45404	0.5
751.46075	38.6
752.46680	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	769.4716
Annotation	Pittoside A
Peak:m/z	Relative Intensity
55.01865	2.5
55.05496	5.7
57.03426	13.9
57.07058	1.7
59.04990	1.5
61.02916	1.5
65.03911	0.9
67.05493	8.9
69.03414	16.8
69.07054	5.4
69.71004	4.4
71.01353	2.8
71.04979	75.5
73.02901	12.9
73.06531	0.5
75.04481	3.4
79.05476	7.6
81.03410	6.2
81.07040	16.7
83.04966	13.7
83.08602	3.8
85.02888	100.0
85.06520	2.1
86.03223	1.4
87.04452	2.6
91.05460	7.3
93.07030	12.6
94.07378	0.8
95.04951	3.3
95.08590	15.2
97.02873	13.6
97.06522	2.4
97.10148	3.9
98.21472	1.0
99.04442	6.6
99.08077	3.5
101.06009	1.2
105.07006	10.1
107.04919	0.9
107.08572	24.2
108.08935	0.6
109.02853	1.3
109.06502	2.9
109.07155	0.6
109.10138	13.5
110.10546	0.5
111.04431	7.3
111.08082	1.6
111.11715	0.7
113.02311	0.5
113.05953	0.6
115.03103	0.7
115.03902	8.7
117.05473	2.3
117.06999	2.3
119.08560	13.2
121.06474	1.6
121.10126	14.9
123.04424	0.9
123.08054	1.9
123.11686	7.8
125.09605	11.4
127.03880	2.6
127.07549	1.3
127.11136	2.5
129.05450	22.0
129.06932	1.2
131.08546	5.6
133.04962	2.1
133.06468	1.0
133.10112	12.0
135.04454	0.8
135.08055	4.9
135.11668	8.4
137.05988	0.8
137.09575	2.6
137.13245	2.2
139.03882	1.6
139.07462	0.7
139.11130	0.8
141.06911	0.8
141.12723	0.6
143.08612	2.9
143.09491	0.9
143.10640	18.7
145.04974	2.6
145.10100	8.9
147.06480	5.2
147.07542	0.5
147.08109	0.6
147.11649	8.1
148.11897	0.5
149.09601	9.9
149.13237	8.2
151.11179	2.0
153.12679	0.8
155.08525	1.0
157.10091	4.3
159.11652	8.7
161.09598	1.8
161.13225	10.8
163.06024	1.2
163.11160	1.6
163.14775	1.9
165.09041	0.5
165.12733	1.0
167.10669	0.7
167.14233	0.6
169.04959	0.9
169.10121	1.7
171.06499	1.7
171.11656	3.3
173.04524	0.7
173.11806	0.8
173.13225	6.5
175.11139	1.0
175.14798	4.0
177.12708	1.6
177.16342	3.9
179.10468	0.7
179.14308	0.8
183.11649	1.7
185.13191	3.1
187.14792	4.6
189.12718	1.0
189.16347	6.0
191.14340	0.8
191.17938	2.5
193.12367	0.9
193.15810	0.6
195.13734	0.9
197.13307	1.8
199.14803	2.3
201.12791	0.6
201.16391	4.0
203.14320	0.9
203.17934	1.9
205.15858	2.7
207.06389	0.6
207.17500	2.6
209.13162	1.0
211.14810	1.1
213.16315	2.7
215.17943	2.6
217.10667	1.9
217.15881	4.0
217.19371	1.0
219.13847	0.8
219.17352	1.4
225.07538	4.2
225.16243	0.7
227.12589	0.6
227.17921	1.2
229.15906	0.7
229.19560	0.8
231.17244	3.1
233.15329	1.8
233.19064	1.3
235.16911	1.3
243.08673	2.5
245.18941	0.7
247.16890	1.5
249.18373	1.0
251.17680	0.7
253.19508	1.1
255.20973	1.5
257.19052	0.8
261.09653	1.6
267.15921	1.2
269.17371	1.2
271.20392	0.8
273.22083	1.1
275.19949	0.6
279.10684	1.3
297.21759	0.9
299.23593	0.8
309.25534	0.6
315.23138	2.5
325.25421	0.6
331.26166	1.1
339.26947	0.7
349.28909	0.7
357.27615	1.0
367.29935	1.0
379.29944	2.7
395.32858	2.4
397.30875	4.4
401.31940	0.8
403.01389	0.7
407.32684	1.7
409.34177	1.2
413.21640	0.8
419.28958	0.6
419.33121	6.2
420.33258	0.6
423.82767	0.6
425.34140	3.4
437.34079	21.3
438.34265	1.5
455.35150	41.1
456.35333	2.1
463.30243	1.4
473.36172	38.8
474.36804	2.5
491.36807	1.0
557.34796	0.7
583.39612	0.8
587.38770	1.8
601.40338	1.7
605.40369	17.4
606.40179	1.4
607.34686	2.8
619.41913	8.7
686.28485	0.6
733.44641	3.4
751.46198	28.2
752.45624	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	769.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.7
55.05495	7.4
57.03426	15.1
57.07059	0.9
59.04987	2.2
59.38239	0.9
61.02914	1.7
63.65105	0.8
67.05494	9.4
69.03415	16.2
69.07040	5.1
71.01346	2.0
71.04978	78.1
72.05331	1.3
73.02911	14.4
73.06529	1.0
75.04470	5.4
79.05481	6.9
81.03392	4.2
81.07040	18.3
83.04961	12.2
83.08588	4.8
85.02889	100.0
85.06533	3.1
86.03235	2.4
87.04467	2.5
89.05984	1.0
91.05459	7.9
93.07032	12.1
95.04967	5.3
95.08594	14.4
97.02869	14.8
97.06525	2.8
97.10150	3.5
99.04446	7.1
99.08085	5.5
101.06026	1.2
105.07004	13.9
107.04964	1.7
107.08578	24.7
108.08929	1.3
109.02878	1.2
109.06480	3.2
109.10129	16.9
110.10426	1.2
111.04441	9.0
111.08065	2.5
113.06036	1.0
115.03919	12.3
115.05413	1.2
117.05463	1.9
117.07026	1.7
119.08573	12.7
120.08926	1.8
121.06484	2.3
121.09252	1.4
121.10123	18.2
122.10432	1.1
123.08010	1.4
123.11686	6.7
124.12027	1.4
125.05985	0.9
125.09611	20.4
127.03885	3.5
127.07526	2.1
127.11198	1.2
129.05455	26.3
129.06946	1.7
131.08536	6.3
133.04961	2.1
133.10114	13.4
134.10405	1.5
135.08026	7.6
135.11681	6.5
136.12099	0.9
137.05948	0.9
137.09616	2.5
137.13269	2.1
139.03862	1.2
139.11162	1.0
141.12624	1.0
143.08566	2.9
143.10651	27.6
145.04947	1.9
145.10107	13.8
146.10509	0.9
147.06499	6.1
147.08041	1.1
147.11670	9.7
149.09590	11.6
149.13243	9.1
151.11197	2.4
153.05508	1.2
155.08557	0.9
157.10136	4.7
159.11671	11.5
161.09608	1.9
161.13237	12.4
163.06012	1.3
163.11182	1.4
163.14865	2.3
165.09015	0.9
166.87434	0.9
167.10582	1.9
169.09978	1.0
171.11668	3.5
173.09702	1.0
173.13214	8.5
175.11095	1.6
175.14801	5.5
177.16377	5.2
183.11702	1.2
185.13191	2.6
187.11156	1.3
187.14809	6.0
189.12689	1.6
189.16368	8.1
191.14293	1.1
191.17978	2.3
197.13315	1.9
199.14832	4.1
201.16299	5.2
203.14290	1.3
203.17833	1.2
205.15804	4.0
207.17447	2.7
211.14825	2.2
213.16328	4.1
215.17931	4.3
217.15805	5.6
219.13818	1.1
225.07614	2.0
225.16234	1.0
227.18016	1.5
229.14261	1.8
229.93237	1.1
231.17436	5.7
233.15280	2.3
235.16946	1.8
241.19524	1.1
243.08673	1.9
247.16788	1.3
248.41466	0.9
249.18527	2.2
253.19678	1.8
255.21115	1.6
259.20364	1.2
261.09357	1.2
267.15897	2.5
279.10666	1.7
293.22241	1.1
299.23511	1.6
313.25027	1.3
331.25916	0.9
336.84030	0.9
379.30026	5.5
397.30865	9.5
407.33057	3.4
419.32928	6.4
422.25986	1.4
425.34076	7.5
427.34698	1.0
437.34073	23.8
438.34433	1.9
439.35629	1.4
453.33307	1.3
455.28668	2.1
455.35117	40.9
456.35168	1.7
472.27832	1.2
472.34793	1.5
473.36115	26.0
474.36456	2.1
491.36084	1.4
501.90887	0.9
594.59882	1.2
605.40283	9.8
619.41638	4.5
721.58826	1.3
733.45367	4.4
751.46057	42.5
752.46063	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	768.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70577	0.5
55.01861	4.0
55.05503	16.4
57.03424	4.5
57.07054	0.7
61.02905	0.8
64.37865	0.7
65.03931	1.6
67.05490	35.0
69.03417	5.4
69.07056	17.8
70.51035	2.2
71.04983	3.0
73.06542	0.7
79.05478	40.5
80.05812	0.8
81.03407	7.4
81.07041	33.4
83.04963	8.6
83.08601	6.6
85.02885	1.6
85.06544	2.9
91.05460	34.5
93.07027	33.4
95.04378	1.1
95.04947	13.5
95.08585	18.4
97.02889	5.2
97.06508	4.2
97.10151	8.7
98.20700	0.6
99.04383	0.6
99.08091	0.7
103.05444	1.1
105.04548	0.7
105.07011	25.0
106.07305	0.9
107.04935	7.5
107.08579	17.7
109.02905	0.8
109.06498	5.4
109.10136	10.8
111.04435	0.8
111.08079	2.1
115.05500	0.8
117.06994	8.7
119.04951	0.8
119.08559	16.9
121.06467	4.5
121.10126	5.4
123.04383	0.6
123.08044	4.9
123.11694	1.8
125.09590	4.7
127.03883	1.0
127.07530	1.0
128.06233	1.9
129.06975	11.0
130.61763	0.6
131.08542	8.5
133.06445	3.4
133.10103	14.1
134.07338	1.0
135.08063	3.7
135.11664	2.9
137.09624	2.0
141.06946	0.8
143.08537	6.9
145.06451	1.0
145.10095	8.7
147.08038	3.8
147.11655	15.6
148.12126	0.8
149.09596	2.4
149.13258	1.2
151.11174	3.1
153.06866	0.6
153.09048	0.7
153.44777	0.6
156.09314	0.7
157.10101	2.7
159.07999	1.5
159.11584	2.8
161.09583	4.2
161.13225	3.9
163.11169	1.7
165.09137	0.9
169.10146	1.5
169.12254	0.9
171.10292	0.4
171.11656	11.2
171.13028	0.9
172.11978	0.7
173.04404	0.9
173.13278	1.0
175.11169	1.9
175.14813	0.9
177.12729	0.9
177.16333	0.9
181.10071	0.9
185.13214	0.9
187.14890	0.7
189.11185	1.8
189.12759	4.5
195.13750	1.0
201.47630	0.7
203.17924	1.2
205.12169	1.1
207.13777	10.8
208.14134	0.6
209.85396	0.6
223.13235	8.7
225.14847	1.1
227.12704	4.8
227.17926	1.1
245.19095	1.9
249.14880	2.3
251.12857	0.8
253.00624	0.6
253.14268	6.3
255.17480	1.0
263.16803	0.6
263.19806	1.0
267.16019	1.2
273.18466	14.7
274.18643	0.6
275.20013	1.5
281.17416	38.4
282.17780	1.8
291.19492	63.4
292.19812	2.6
329.21088	0.8
337.17236	0.7
347.22208	4.2
365.23166	26.9
372.59579	0.6
451.26520	0.9
473.28986	3.8
477.28296	5.0
553.35187	6.3
571.36218	100.0
572.36426	5.6
589.37256	0.8
768.47827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.3
55.05502	21.4
57.03427	8.4
57.07064	2.1
61.02909	1.5
65.03928	3.5
67.05494	67.2
68.20932	0.7
69.03424	5.8
69.07055	18.6
69.76785	3.0
69.77218	2.4
71.01360	0.7
71.04986	6.2
73.02876	0.9
73.06540	1.7
77.03891	1.3
79.05480	74.0
81.03405	12.0
81.07042	69.3
82.07389	0.9
83.04971	16.5
83.08604	9.4
85.02901	3.1
85.06528	5.8
87.04453	0.9
91.05466	81.5
93.07028	75.3
94.07388	1.2
95.04952	25.7
95.07984	1.6
95.08592	30.9
97.02892	1.7
97.06512	7.8
97.10164	3.7
98.21421	0.9
99.04456	2.0
102.86595	0.7
103.05484	2.2
105.04492	1.1
105.07015	63.9
106.07326	0.8
107.04951	12.4
107.08575	39.0
109.02899	1.2
109.05806	1.5
109.06501	13.3
109.10136	41.7
111.04412	1.6
111.08025	3.5
113.06011	1.4
115.05434	2.6
116.06223	1.1
117.07000	11.9
119.08562	28.2
121.06488	10.6
121.10123	9.5
123.08047	6.2
123.11681	7.4
125.05962	1.4
125.09618	1.9
127.07561	3.0
128.06212	3.1
129.05534	1.0
129.06978	15.9
130.07750	1.3
131.04900	0.7
131.08551	14.8
133.06474	6.3
133.10109	59.6
134.10440	1.1
135.08040	9.3
135.11694	5.8
135.49352	0.7
137.05920	0.9
137.09601	3.1
139.07481	1.8
141.06949	1.0
142.07745	0.7
143.08546	13.4
145.06503	1.6
145.10097	13.5
147.08037	5.5
147.11659	34.5
149.09566	8.2
149.13208	1.9
151.11157	22.4
153.12738	0.7
155.08578	0.9
156.09337	1.5
157.10144	4.0
159.07999	2.2
159.11644	4.9
161.09579	9.7
161.13216	10.4
163.11185	2.9
165.09067	2.0
165.12703	1.0
169.10135	1.5
169.12250	3.2
171.11661	22.7
173.09622	1.2
173.13213	1.3
175.11136	3.5
177.09096	3.6
177.12761	1.2
179.10677	1.8
179.14284	1.5
181.10149	0.8
183.11708	1.7
185.13293	2.4
187.11183	1.1
187.14818	1.2
189.11142	1.4
189.12700	9.6
197.11710	1.1
198.63567	0.8
199.11246	0.9
203.14278	0.9
207.13776	23.2
215.12782	2.5
223.13297	1.2
225.14719	1.7
227.17963	1.7
237.16347	1.4
245.18996	5.5
251.12642	4.4
253.14308	89.0
254.14671	1.3
255.17348	3.8
263.20145	3.2
271.15302	1.2
273.18436	33.4
274.18781	1.2
275.20178	1.6
279.15994	1.0
281.17429	56.6
282.17828	1.8
283.20462	0.8
291.19501	35.8
301.21548	1.5
309.16980	1.3
309.20615	2.7
347.22141	13.6
365.23178	30.9
383.24435	1.2
459.27313	1.3
475.27066	2.8
477.28403	31.7
491.30338	1.0
535.34381	1.1
543.37140	1.2
553.35132	19.0
554.35425	1.2
571.36230	100.0
572.36530	4.4
589.37244	1.5
609.44843	2.0
768.44220	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	767.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80242	0.7
55.01853	2.8
55.05498	8.3
57.03428	14.1
57.07060	1.2
59.04979	1.8
61.02909	3.0
65.03937	0.9
67.05492	13.6
69.03416	17.3
69.07054	16.5
71.01333	2.6
71.04979	59.0
73.02902	22.1
75.04472	4.4
79.05474	8.7
81.03407	3.1
81.07039	30.0
81.07526	1.0
83.04961	17.3
83.08608	3.3
85.02888	100.0
87.04459	3.1
91.05453	9.2
93.07031	19.6
94.68802	0.6
95.04966	4.4
95.08588	23.7
97.02878	17.3
97.06511	4.5
97.10153	4.1
99.04434	5.5
99.05560	0.7
99.08079	8.8
101.05997	1.2
103.03899	1.0
105.07013	22.2
107.04950	1.2
107.08572	28.3
109.02859	1.8
109.06512	3.6
109.10137	37.5
111.04418	10.5
111.08046	6.0
113.05981	0.9
115.03915	15.7
115.07606	0.7
117.05476	2.3
117.06995	3.9
119.08562	20.9
119.19064	0.7
121.06472	2.6
121.10123	20.0
121.10957	1.4
122.10427	0.7
123.04418	1.2
123.08092	3.4
123.11684	15.0
125.09612	11.4
127.03904	2.8
127.11178	1.9
129.05450	22.6
129.07007	3.0
131.08540	12.3
133.04939	2.6
133.10106	18.6
135.08029	2.5
135.11667	11.5
137.06041	1.0
137.09601	2.7
137.13225	1.9
139.03896	2.2
139.11142	1.6
142.07779	1.4
143.08543	7.9
143.10629	7.6
144.09297	0.7
145.04900	2.1
145.10094	19.4
145.11188	1.1
147.04503	1.1
147.06499	10.2
147.07971	1.6
147.11655	15.3
149.06023	0.7
149.09604	4.3
149.13234	9.8
151.07559	1.8
151.11206	1.7
155.08548	2.7
156.09354	1.2
157.04955	1.1
157.10106	8.7
158.10855	1.0
159.08063	1.4
159.11665	15.6
159.12927	1.1
161.09669	3.3
161.13237	14.1
163.06029	0.9
163.07553	1.0
163.11139	2.3
163.14845	3.3
165.07617	0.6
165.09071	1.4
165.12773	1.1
169.04887	0.8
169.10127	4.9
171.06572	0.9
171.08029	0.8
171.11664	7.7
173.09679	1.2
173.13252	11.1
175.06013	0.8
175.11227	2.1
175.14844	8.1
177.09142	1.5
177.12781	2.8
177.16370	3.0
181.10156	1.2
181.12100	0.8
183.11694	3.1
185.13226	6.8
187.11134	2.1
187.14760	10.3
189.09009	1.1
189.12823	1.0
189.16354	6.1
191.10687	1.5
191.14273	1.5
191.17949	2.4
193.10228	0.7
195.11684	1.8
195.13800	0.9
197.13206	5.3
199.11230	1.2
199.14766	6.2
201.12741	1.3
201.16351	8.4
203.14331	2.1
203.17920	3.1
205.15852	4.2
207.06609	0.9
207.17468	1.6
209.13300	1.8
211.14752	4.7
213.12839	0.8
213.16345	5.5
215.14369	1.9
215.17953	2.3
217.15817	2.1
217.19427	1.3
219.13792	0.9
219.17412	1.5
221.15295	0.8
223.14844	1.0
225.07518	4.1
225.16353	2.9
227.14288	1.2
227.17883	1.9
229.15796	2.1
229.19533	1.2
231.17526	1.3
233.15353	0.9
235.14661	1.1
237.16330	1.7
239.17960	2.8
241.19513	4.5
243.08530	3.8
243.17447	0.9
243.21136	1.0
245.15387	1.4
247.16913	4.4
249.16301	0.9
251.17967	2.7
253.19452	4.2
255.17308	0.8
255.21051	1.6
257.19049	0.9
259.20468	3.6
261.09689	1.8
265.19687	1.1
267.20911	1.2
269.19043	1.8
271.20435	0.8
273.18500	2.0
277.42175	0.7
279.10684	2.2
279.21130	1.3
281.22531	3.8
283.20770	1.3
283.24057	1.7
285.21823	0.8
291.21024	1.4
293.22623	2.5
295.20575	1.3
297.22073	2.2
299.20471	0.8
299.23669	4.0
301.21661	1.1
305.22852	0.9
307.24155	0.9
309.22177	2.6
311.20313	1.3
311.23676	5.5
313.21680	1.7
313.25107	1.2
315.23279	0.9
319.24075	0.8
325.21564	1.0
325.25311	1.1
327.23279	2.4
329.24673	2.0
337.25247	0.9
339.26917	0.8
353.24554	1.7
355.26166	1.6
367.26157	3.7
377.28232	1.6
379.26273	1.0
385.27304	1.4
387.30234	1.0
393.31491	1.1
395.29312	5.5
405.31406	3.0
407.27991	1.0
407.32928	10.1
408.33234	1.0
415.28479	1.1
417.31519	4.3
423.32574	7.4
425.34079	16.4
425.39703	0.8
435.32541	15.7
436.32843	1.3
437.34085	2.0
441.33554	3.3
451.31909	1.2
453.33548	39.0
454.33923	2.6
455.35162	4.8
469.33179	1.5
471.34613	31.4
472.35004	2.4
473.36139	5.5
487.33835	0.8
489.28558	1.3
489.35666	24.1
490.36078	1.6
549.35077	1.3
563.37140	1.8
567.36951	1.1
581.38123	1.3
585.37799	1.2
599.39032	1.8
603.38800	11.8
604.39069	1.0
617.40295	1.5
621.39923	12.2
622.38739	1.0
635.41400	2.1
749.44562	7.2
767.45276	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	767.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33816	0.4
55.01865	1.9
55.04367	0.4
55.05499	6.9
57.03427	15.0
57.07064	1.2
59.04985	2.1
61.02922	2.6
65.03928	0.9
65.64644	0.3
67.05492	8.4
69.03416	15.6
69.07053	5.2
71.01342	3.5
71.04977	65.2
72.05305	0.4
72.08138	0.7
73.02901	15.8
73.03309	1.0
75.04465	12.8
75.12926	0.3
79.05476	5.7
81.03398	2.4
81.07039	11.6
83.04964	29.9
83.08602	1.8
85.02888	100.0
85.06532	1.5
86.03201	0.4
86.09703	0.5
87.04462	3.3
90.26167	0.4
91.05457	6.5
93.07024	11.6
95.04947	3.7
95.08588	17.0
97.02874	15.2
97.03826	0.5
97.06519	2.4
97.10167	1.4
98.20566	0.9
99.04438	8.5
99.05040	0.7
99.08081	1.4
101.06001	1.8
103.03946	0.9
105.07010	11.9
107.04958	1.1
107.08570	14.8
109.02924	1.3
109.06501	2.8
109.10135	13.5
111.03648	0.7
111.04410	9.2
111.05129	0.6
111.08071	1.7
111.11668	0.5
113.02344	0.6
113.05988	1.0
113.09637	1.6
114.10267	0.5
115.03912	9.9
115.05422	0.5
117.05471	3.3
117.07012	1.8
119.04939	0.5
119.08555	12.3
121.02879	0.4
121.06493	2.5
121.10122	11.3
121.10957	0.8
122.07287	0.9
123.04435	0.9
123.08044	8.6
123.11674	7.4
125.06014	0.5
125.09595	4.6
127.03904	3.1
127.11177	4.5
129.05453	26.0
129.07030	1.4
130.08655	1.0
131.08539	4.6
133.04950	2.9
133.06454	0.6
133.10104	12.5
134.10484	0.5
135.04407	0.4
135.08015	2.9
135.11676	10.5
137.06001	1.0
137.09587	48.0
137.13176	2.1
138.09950	0.5
139.03888	1.9
139.11174	0.9
141.05421	0.5
141.09108	2.8
142.07784	0.4
143.08528	4.4
143.10609	2.0
145.04909	2.9
145.06496	0.4
145.10094	9.3
147.04500	0.7
147.06522	8.9
147.08017	1.6
147.11658	7.1
149.06023	1.0
149.09613	1.8
149.13210	5.6
151.03886	0.5
151.07571	0.8
151.11182	1.4
153.05487	0.6
153.12704	0.5
155.08566	1.8
155.10672	0.9
156.09288	0.9
157.04967	1.3
157.10109	5.3
159.08087	1.1
159.10204	1.2
159.11647	9.6
161.09593	2.4
161.13220	6.7
163.03883	0.9
163.06018	1.9
163.07549	1.1
163.11151	1.9
163.14807	2.2
165.12727	0.8
167.06995	0.8
167.10657	0.5
167.14331	0.5
169.10110	2.8
170.10915	0.6
171.06528	1.9
171.07890	0.6
171.11659	4.5
171.63116	0.4
173.09622	1.2
173.13239	6.0
175.11197	1.3
175.14784	3.8
177.05501	0.5
177.12758	1.5
177.16383	1.8
179.07172	0.5
179.10608	1.9
181.04868	0.6
181.10114	0.8
183.06479	0.6
183.11659	3.0
185.09572	0.8
185.13254	4.1
187.11171	1.2
187.14796	5.2
189.12772	1.2
189.16319	2.7
191.10736	0.6
191.14288	1.1
191.17902	2.7
193.15950	0.6
194.05435	0.4
195.11726	0.8
195.13808	0.4
197.09686	0.6
197.13232	2.6
199.09549	0.4
199.11232	0.7
199.14827	3.5
201.12759	1.5
201.16330	4.7
201.18089	0.4
203.14354	1.2
203.17868	2.6
205.12260	0.8
205.15927	1.1
205.19545	0.7
207.06494	0.9
207.17400	0.9
209.13315	1.3
211.11244	0.6
211.14726	2.1
213.12785	1.0
213.16373	2.5
215.14357	1.8
215.17976	1.2
217.10539	0.7
217.12485	0.7
217.15898	1.2
217.19502	0.7
219.13815	0.9
219.17616	0.9
221.13301	0.7
223.14845	1.5
225.07480	4.7
225.16412	1.4
227.14363	0.7
227.17970	1.6
229.15897	1.3
229.19438	0.7
229.85616	0.7
230.15379	0.8
231.13724	1.1
231.17461	0.4
233.15308	1.0
237.16333	0.9
239.14192	0.5
239.17979	1.2
241.15823	0.6
241.19579	1.4
243.08601	3.2
243.17403	1.9
243.20958	1.0
245.15448	1.3
247.16956	1.0
251.17946	0.9
253.19533	1.8
255.17342	0.9
255.21123	1.6
257.15695	0.6
257.18951	0.7
259.16861	0.5
259.20496	0.7
261.09714	2.3
265.19586	0.8
267.21136	1.1
269.19101	0.5
269.22586	0.4
271.20535	0.7
273.18585	0.6
273.21988	0.4
279.10840	1.8
281.19177	0.8
281.22656	0.9
283.17380	0.4
283.20596	1.1
283.23715	0.6
285.18607	0.5
285.22104	0.8
293.22653	2.1
295.24271	0.5
297.22116	0.7
299.19983	0.6
301.18628	0.4
301.21579	2.7
303.23096	0.5
309.22070	0.6
311.23853	1.7
313.21744	0.7
313.25128	0.6
315.23270	0.7
319.22763	1.7
321.25748	0.5
323.23871	0.4
325.25510	0.6
331.23926	0.7
337.25168	0.6
339.23071	0.6
345.25031	0.4
347.27167	0.6
348.97809	0.5
349.25232	1.8
355.26230	0.5
357.24216	3.8
365.28482	1.3
367.26443	1.1
369.27814	0.6
375.25366	0.7
377.28403	0.8
383.29480	3.1
393.31476	1.5
395.29443	1.5
399.29077	0.7
401.30548	0.5
403.28415	0.8
405.31424	1.1
407.33194	1.2
411.32617	1.7
413.30490	1.1
417.31528	3.0
423.32492	3.5
425.34164	1.1
435.32516	12.5
437.34500	0.7
441.33643	2.9
451.26813	1.0
453.33563	30.3
454.34097	0.6
455.35300	1.5
459.34589	0.9
471.34616	35.6
472.34811	0.9
473.36188	1.0
489.35687	38.5
490.36212	0.7
522.39398	0.5
585.38123	1.2
599.39429	0.5
603.38971	7.8
617.40411	1.2
621.39893	14.8
635.40912	0.4
656.49890	0.5
677.38824	0.5
679.40240	0.8
731.43738	1.9
749.44531	16.8
750.44598	0.5
767.45563	20.6
768.45612	0.7
769.68365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
55.05505	7.1
57.03431	14.6
57.07068	1.7
59.04982	2.5
61.02918	3.8
65.03930	1.5
65.12199	0.7
67.05496	11.1
69.03423	19.4
69.07054	7.0
70.06585	1.2
71.01346	2.2
71.04985	56.7
71.79636	1.5
72.08138	1.6
73.02908	20.8
75.04469	16.0
79.05473	8.4
81.03403	4.5
81.07045	17.1
83.04971	33.3
83.08606	2.6
84.08135	1.8
85.02894	100.0
85.06525	1.7
86.03219	0.9
86.06060	1.2
87.04461	3.0
91.03934	0.8
91.05457	9.7
93.07025	14.9
95.04947	5.3
95.08597	23.2
97.02876	17.1
97.06528	3.6
97.07630	0.7
97.10161	2.5
98.06069	0.7
99.04439	10.3
99.08084	1.3
101.06001	2.6
103.03910	0.9
103.05481	1.4
105.07020	15.6
107.04955	2.1
107.08572	19.8
109.02857	4.7
109.06519	2.5
109.10143	18.3
111.04421	9.1
111.08078	1.4
111.11704	1.2
113.02383	0.7
113.06019	1.4
114.09138	1.4
114.10260	1.3
115.03898	11.2
116.10684	0.8
117.03405	0.8
117.05454	4.1
117.07020	2.7
119.04947	2.2
119.08569	16.8
121.06484	3.5
121.10124	15.9
122.07309	0.8
123.08048	9.5
123.11690	10.6
125.06001	1.8
125.09563	3.6
127.03931	6.2
127.07570	0.9
127.11143	1.1
129.05469	23.3
129.07021	2.8
130.08626	1.7
131.08540	6.8
133.04970	2.6
133.06464	0.8
133.10120	14.4
135.04422	1.0
135.08072	3.7
135.11668	11.1
137.05984	4.5
137.09596	55.9
137.13194	4.0
139.03877	2.1
139.07469	0.9
139.11209	1.2
141.07039	0.8
141.09077	4.0
143.08542	4.4
143.10687	1.6
145.02841	1.3
145.04976	4.2
145.06471	1.3
145.10094	10.9
145.11050	1.0
147.04410	3.6
147.06514	9.2
147.07986	1.4
147.11662	9.5
148.08607	0.8
149.05931	1.5
149.09616	2.8
149.13226	6.7
151.03806	0.8
151.07564	2.1
151.11209	1.1
153.05403	1.1
153.09044	0.9
155.08534	1.9
157.10069	5.4
159.08070	2.6
159.10213	1.8
159.11699	11.3
161.06032	1.2
161.09570	1.8
161.13229	8.9
163.03903	1.9
163.06003	2.0
163.07436	1.3
163.11201	1.8
163.14832	3.3
165.05565	0.8
165.12822	1.0
167.07066	3.0
169.10126	2.7
171.06564	1.8
171.11679	6.2
173.09627	2.0
173.13223	7.1
174.87706	0.8
175.03865	1.3
175.07611	0.8
175.11189	2.2
175.14772	5.9
175.82568	0.7
177.05470	3.9
177.09007	0.8
177.12767	1.3
177.16359	2.2
179.10696	2.5
181.04865	0.9
181.10104	1.3
183.11705	2.5
185.09633	1.0
185.13223	4.5
187.07495	1.1
187.11209	3.1
187.14806	5.8
189.09119	1.1
189.12735	1.4
189.16364	5.0
191.10701	2.1
191.17859	4.9
195.11713	1.4
197.13266	3.0
197.93382	0.8
199.11247	0.9
199.14801	3.4
201.12791	1.4
201.16316	4.8
203.10718	1.0
203.14345	1.4
203.17889	3.6
205.15839	1.1
205.19435	0.9
207.06544	1.6
209.13345	1.8
211.11221	1.0
211.14940	1.1
213.16451	3.1
215.10664	1.1
215.14374	0.9
215.17984	2.2
217.10608	0.9
217.15944	1.3
217.19693	0.8
219.13763	1.4
223.14766	1.2
225.07585	3.3
225.16385	0.9
227.14291	0.9
227.17934	1.2
229.15919	1.0
230.15276	0.9
231.13869	1.4
233.11595	0.9
237.16446	1.2
239.17899	1.7
241.19458	1.4
243.08632	2.3
243.21121	2.3
245.15427	2.7
247.16951	2.4
251.17993	1.1
253.19542	1.3
255.21088	1.5
261.09747	1.8
265.19424	0.8
269.22653	0.8
271.16931	1.2
271.20483	1.2
279.10605	1.0
281.22519	1.0
283.20969	1.1
283.24310	1.5
285.22043	0.8
293.22583	2.7
307.24075	1.1
311.23727	2.0
313.21570	1.2
315.23190	1.2
327.23120	2.2
331.22867	0.9
338.12421	0.8
339.23029	0.9
339.26862	1.2
349.25119	1.8
357.23996	4.2
367.26349	2.4
375.25250	1.6
383.29480	3.2
385.27359	1.5
393.31512	1.8
395.29425	2.3
407.33102	1.8
411.32565	1.7
417.31509	1.5
423.32492	2.2
435.32501	10.7
437.34335	2.1
441.33807	1.4
443.27957	2.4
453.33618	23.3
454.34070	0.8
455.35165	3.7
458.25211	0.8
470.34824	0.7
471.34680	24.1
472.34894	1.2
473.36292	3.0
477.31671	0.8
489.35730	32.7
490.36362	1.0
587.39484	1.4
603.38727	6.7
605.41113	1.6
621.40002	9.1
731.43329	3.0
749.44531	17.4
765.31055	0.9
767.45966	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	767.4561
Annotation	Pictoside A
Peak:m/z	Relative Intensity
55.01860	2.1
55.05501	4.1
57.03427	11.9
57.07061	1.1
59.04993	2.2
61.02905	1.3
61.06284	0.3
65.03944	0.5
66.63653	0.3
67.05495	5.0
69.03416	13.4
69.07054	3.5
71.01343	2.1
71.04980	61.6
72.05295	0.5
73.02908	11.2
73.06535	0.3
75.04469	9.7
79.05487	3.1
81.03410	1.5
81.07045	6.9
81.07513	0.3
83.04966	36.9
83.08600	1.5
84.05306	0.4
85.02890	100.0
85.06528	0.6
86.03207	0.4
87.04463	3.0
88.15260	0.3
91.05457	4.2
92.08419	0.3
93.06514	0.2
93.07030	7.1
95.04955	3.3
95.08591	13.4
97.02876	12.8
97.06503	1.8
97.10135	0.8
99.04439	8.6
99.08083	0.7
101.02319	0.4
101.06017	1.4
103.03922	0.7
103.05417	0.4
105.07014	5.7
107.04972	0.6
107.08576	8.6
109.02862	0.6
109.06496	2.3
109.10143	8.1
111.04428	9.1
111.08047	0.7
113.02323	0.4
113.06010	1.2
113.09607	1.7
115.03912	9.1
115.04678	0.7
117.05469	3.5
117.07003	1.3
119.08562	8.2
119.09394	0.6
121.06518	1.4
121.09264	0.5
121.10121	7.4
122.07253	1.5
123.04417	0.9
123.08048	12.0
123.11686	4.0
125.02392	0.3
125.05977	0.5
125.09605	2.2
127.03870	1.6
127.11165	0.5
128.06180	0.5
129.05455	27.4
131.08559	2.9
131.10040	0.3
133.04941	2.0
133.06528	0.5
133.10103	6.9
135.08040	1.3
135.11667	7.0
137.09592	71.0
137.13170	3.0
138.09952	0.9
139.03873	2.0
139.11157	0.7
141.09079	4.5
142.07835	0.5
143.08517	1.9
145.04950	2.8
145.06467	0.4
145.10091	5.1
147.06505	8.5
147.07841	0.6
147.11671	4.8
148.56718	0.3
149.09602	1.0
149.13249	3.4
151.07596	0.4
151.11165	1.0
153.05492	0.8
155.08537	0.8
156.09337	0.6
157.04974	1.6
157.10118	3.0
159.08086	0.9
159.10201	1.5
159.11694	3.7
161.09581	1.4
161.13214	3.2
161.84351	0.3
163.06018	1.5
163.07399	0.5
163.11160	1.2
163.14804	1.6
165.12804	0.4
167.03497	0.3
167.08597	0.4
169.10120	1.2
171.06538	1.7
171.11652	2.7
173.04463	0.4
173.09608	0.4
173.13231	2.6
175.11182	1.3
175.14796	1.5
177.12721	1.8
177.16409	1.5
179.10655	2.3
181.04945	0.5
181.10136	0.4
183.11765	1.6
185.09595	0.6
185.13208	2.4
187.11189	1.0
187.14815	2.9
189.12784	0.8
189.16376	2.8
191.10640	0.6
191.17924	3.4
193.12282	0.4
195.11766	0.6
197.13260	1.7
199.06058	0.7
199.11307	0.6
199.14764	2.2
201.12703	1.1
201.16330	2.5
203.14334	1.1
203.17973	2.1
205.12277	0.6
205.19617	0.5
207.06555	0.4
209.13280	0.6
211.14832	0.8
213.12859	0.5
213.16455	0.9
215.14294	0.9
215.17931	0.9
217.07091	0.4
217.10727	1.1
217.19543	1.0
219.13831	0.7
223.14752	0.7
225.07521	3.9
225.16364	0.6
227.14334	0.8
227.17949	1.2
229.12343	0.5
229.15875	0.6
231.13818	1.0
237.16591	0.8
239.18071	0.9
241.15849	0.4
241.19516	0.4
243.08607	3.3
243.13866	0.3
243.17397	0.6
243.21049	2.2
245.15385	1.0
247.13197	0.6
247.16954	0.5
249.14769	0.6
251.18004	0.5
253.19443	0.8
255.21124	1.2
261.09689	2.1
265.19797	0.5
279.10535	2.0
281.22675	0.9
283.20874	0.4
283.24130	1.6
293.19363	0.6
293.22519	3.8
295.20920	0.4
295.24292	0.7
297.22379	0.4
299.20099	0.7
311.23569	2.9
313.21521	1.0
313.25174	0.8
315.23334	0.7
317.21207	0.7
321.25729	0.9
326.77200	0.3
327.23218	0.7
328.99570	0.3
329.24554	0.5
331.26672	0.4
339.23236	0.9
339.26855	0.6
349.25458	1.3
357.24258	4.4
365.28363	1.5
367.26352	0.8
375.25299	1.0
381.27802	1.3
383.29407	3.6
393.31900	1.0
401.30505	1.0
407.33191	1.2
411.32657	1.0
417.31497	1.5
423.33002	0.5
425.34039	1.0
435.26440	0.6
435.32523	11.4
436.32770	0.4
441.33762	0.6
453.33575	30.3
454.34003	1.4
455.35120	0.5
471.34634	25.2
472.35126	1.3
489.35757	5.0
585.37891	1.0
588.69983	0.4
603.38739	4.8
615.38843	0.4
621.39978	5.1
662.12903	0.4
677.38519	0.6
679.40576	0.5
731.43524	2.9
749.44574	20.6
750.44952	1.4
767.45630	27.4
768.45886	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	767.4559
Annotation	Pictoside A
Peak:m/z	Relative Intensity
55.01854	1.5
55.05499	4.1
55.46042	0.3
57.03429	10.8
57.07065	1.1
59.04987	2.2
61.02912	1.0
65.03934	0.8
67.05494	4.2
69.03416	13.0
69.07056	3.2
71.01344	2.1
71.04979	66.1
73.02905	7.8
75.04464	3.2
79.05468	2.4
81.03413	1.6
81.07038	5.4
83.04965	35.1
83.08610	1.0
85.02889	100.0
85.06517	1.0
86.03217	0.7
87.04455	2.7
87.36268	0.3
91.05464	2.6
93.07031	5.5
93.07629	0.3
95.04962	3.2
95.08589	11.2
95.86783	0.3
97.02872	12.0
97.06512	1.7
97.10167	0.7
99.04436	8.1
99.08080	0.5
101.06029	0.6
103.03963	0.7
105.07006	5.1
107.04949	0.6
107.08578	7.1
109.02891	0.6
109.06514	1.6
109.09004	0.3
109.10139	6.9
109.10856	0.5
111.04424	6.7
111.11653	0.3
113.02345	0.6
113.05997	0.9
113.09620	1.8
115.03917	8.5
117.05460	3.5
117.06932	1.5
119.08561	6.3
121.06483	1.4
121.10128	6.2
122.07253	1.3
123.04444	0.7
123.08048	10.7
123.11678	3.8
125.05944	0.5
125.09617	1.3
127.03916	2.0
127.11217	0.5
129.05455	27.9
130.05835	0.3
131.08553	2.4
133.04979	1.2
133.06540	0.5
133.10101	5.5
135.04422	0.7
135.08054	0.7
135.11673	6.6
137.06012	0.7
137.09589	63.2
137.13191	2.7
138.09937	0.9
139.03893	2.2
139.07524	0.5
139.11113	0.4
141.09074	4.3
143.03395	0.3
143.08543	1.5
143.10696	0.7
144.09187	0.3
145.04933	3.3
145.06158	0.3
145.10103	4.2
147.06496	8.7
147.07813	0.5
147.11664	4.1
149.06007	0.3
149.09624	0.8
149.13239	2.8
151.07536	0.4
151.11188	0.8
151.14830	0.4
153.05502	0.5
153.09068	0.4
155.08565	0.8
157.04973	1.0
157.10094	2.3
159.06540	0.3
159.08064	0.7
159.10179	1.4
159.11690	3.3
161.09633	1.2
161.13211	2.5
163.03914	0.4
163.05977	2.3
163.11169	1.1
163.14796	1.6
165.05502	0.5
165.09158	0.3
167.08546	0.3
169.04991	0.6
169.10106	1.1
171.06512	2.2
171.07828	0.4
171.11639	2.2
173.09639	0.8
173.13254	2.0
175.11176	0.9
175.14742	1.5
177.09152	0.5
177.12782	0.6
177.16386	1.2
179.07069	0.4
179.10603	2.3
181.04997	0.3
181.10085	0.4
183.06487	0.3
183.11655	1.4
185.13237	2.1
187.11223	0.7
187.14789	2.7
189.12767	0.8
189.16339	2.2
191.10725	0.5
191.17879	2.7
193.12305	0.6
195.11737	0.4
197.07941	0.3
197.13303	1.0
199.06036	0.4
199.09624	0.6
199.14772	1.6
201.07591	0.3
201.12801	0.8
201.16339	1.6
203.14355	0.8
203.17921	1.8
205.12354	0.4
205.19518	0.5
209.13223	0.3
211.14880	0.9
213.12761	0.6
213.16417	1.1
215.14339	0.8
215.18030	0.9
217.10736	1.0
217.15981	0.7
217.19499	0.6
219.13820	0.7
223.14810	0.7
225.07516	3.7
225.16377	0.7
227.14368	0.6
227.17908	0.4
229.12206	0.4
229.15952	0.5
229.19559	0.6
231.13773	0.7
237.16426	0.4
239.14319	0.3
239.18019	0.4
241.19553	0.3
243.08592	3.6
243.13922	0.4
243.17581	0.3
243.21007	1.4
245.15419	0.7
247.13234	0.6
247.17210	0.4
249.14781	0.5
249.27107	0.3
251.18002	0.7
253.15800	0.3
253.19609	0.8
255.21123	0.8
257.19122	0.5
259.16922	0.3
261.09689	2.5
261.14893	0.5
263.17917	0.3
267.20898	0.5
269.22583	0.4
273.18628	0.3
275.42996	0.3
279.10635	1.9
279.21024	0.5
281.19235	0.4
281.22617	0.8
283.17032	0.3
283.24323	0.9
293.22537	2.4
295.24155	0.6
299.20206	0.3
307.24210	0.4
309.22275	0.4
311.23627	1.7
311.26843	0.3
313.21667	0.7
313.25378	1.1
315.23065	0.7
317.20947	0.6
321.22128	0.3
321.25760	0.7
327.23328	0.4
329.24802	0.5
331.26639	0.4
339.23233	0.5
339.26978	0.7
349.25092	1.4
357.24158	4.5
363.27036	0.4
365.28348	1.4
367.26346	1.1
375.25232	0.6
381.28085	0.8
383.29370	3.1
393.31586	0.9
401.30505	0.7
407.33182	0.8
411.32626	1.1
417.31461	1.1
421.46753	0.3
423.32513	0.7
425.34082	0.6
435.32526	9.8
441.33817	0.4
453.33563	25.0
454.33862	1.0
471.34656	20.2
472.35217	0.6
489.35733	3.1
585.37988	0.8
603.38751	3.5
621.40143	1.0
677.39331	0.5
679.40289	0.7
731.43445	2.9
749.44580	23.1
750.44568	0.8
767.45581	24.9
768.46063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4559
Annotation	Pictoside A
Peak:m/z	Relative Intensity
53.94125	0.7
55.01855	3.1
55.05508	9.9
57.03425	16.7
57.07055	2.6
58.61942	0.7
59.04995	1.5
61.02921	3.6
62.89648	0.7
65.03922	1.3
65.39063	0.8
67.05494	16.5
69.03416	12.3
69.07056	15.3
71.01337	2.7
71.04981	65.3
71.08617	0.9
71.47724	1.0
71.48076	1.6
73.02906	28.8
74.11270	0.8
75.04472	5.8
79.05479	10.3
81.03401	2.4
81.07043	31.6
81.09006	0.7
83.04966	19.9
83.08614	5.0
85.02892	100.0
85.06551	1.3
87.04466	3.4
88.03725	0.8
91.05463	10.7
93.07030	20.3
95.04964	7.1
95.07984	1.6
95.08593	28.6
97.02879	13.9
97.06520	5.1
97.10157	4.8
99.04440	2.9
99.08066	6.8
103.05430	1.0
105.06313	1.7
105.07014	24.4
107.04984	1.2
107.08579	31.1
109.06499	3.9
109.10141	41.9
111.04426	11.6
111.08071	6.7
111.11741	0.8
113.06010	1.2
115.03912	14.1
115.05417	0.8
117.05511	0.8
117.06979	4.7
119.08565	24.2
121.06489	3.2
121.10126	25.1
123.08060	3.0
123.11690	21.2
125.06006	0.8
125.09618	11.2
127.03942	0.8
127.07584	1.0
127.11250	0.7
128.06244	0.7
129.05461	24.9
129.07027	2.8
131.08542	13.5
132.80634	0.7
133.04958	3.5
133.06499	1.5
133.10112	22.1
135.08051	3.0
135.11668	13.2
136.84082	0.7
137.06027	0.9
137.09592	3.1
137.13232	2.7
139.03920	1.9
139.07526	1.1
139.11159	1.5
142.07715	1.4
143.08549	8.4
143.10649	6.0
144.09323	1.3
145.04927	1.2
145.10106	21.5
145.11197	1.3
147.06493	9.5
147.08037	1.2
147.11673	16.7
149.09586	3.8
149.13226	11.1
151.07533	1.7
151.11171	2.1
153.12750	0.9
154.07835	0.9
155.08559	3.1
156.09395	1.3
157.10120	10.5
158.10852	0.9
159.08028	2.3
159.11668	21.7
159.12932	1.5
161.09642	2.7
161.13237	18.2
163.07542	2.4
163.11192	2.1
163.14784	4.8
165.09082	1.2
165.12776	2.3
167.08508	0.8
167.10738	0.8
169.10088	4.8
171.06532	1.3
171.11673	10.2
173.09625	2.0
173.13240	12.8
175.07651	0.8
175.11234	1.5
175.14790	9.8
177.09183	1.6
177.12762	2.5
177.16435	2.5
179.10651	1.5
179.14304	1.4
181.10065	1.8
183.11662	5.5
185.09698	0.8
185.13252	9.1
187.11176	1.6
187.14796	11.4
188.62344	0.8
189.12677	1.8
189.16408	5.8
191.10660	2.1
191.14284	1.2
191.17957	2.4
193.12300	1.7
195.11725	1.9
195.13811	0.7
197.13171	4.8
199.11166	0.9
199.14787	7.1
201.12747	1.8
201.16328	11.1
203.14374	3.1
203.17981	3.0
205.15764	3.7
207.06564	1.1
207.11665	1.2
207.13824	0.9
207.17426	2.3
209.13254	1.9
211.14784	4.3
213.12753	2.0
213.16389	5.9
213.48349	0.7
215.14404	2.1
215.17998	4.3
217.12279	1.3
217.15849	1.2
219.13811	1.4
219.17444	1.7
221.13248	1.3
221.15340	1.0
223.14793	2.6
225.07556	5.9
225.16342	2.3
227.17896	3.6
229.15912	2.7
229.19588	1.3
231.13809	1.7
231.17406	1.4
233.15453	2.0
237.16385	2.9
239.17969	2.7
241.19466	5.6
243.08662	3.2
243.13814	1.1
243.17422	1.8
243.21191	1.1
245.15370	2.3
247.16957	5.3
249.16310	0.8
251.17903	3.2
253.19455	4.6
255.17490	1.4
255.21143	1.5
257.19006	1.0
259.20718	2.3
261.09732	1.2
265.19528	1.9
267.17642	0.8
267.21112	1.2
269.18857	2.1
271.16962	1.1
271.20615	1.5
273.18448	2.8
277.19568	1.0
279.10739	3.2
279.21085	1.5
281.19189	1.7
281.22592	4.6
283.20737	1.4
283.24326	2.1
285.18570	1.2
291.21228	1.1
293.19418	0.8
293.22672	2.7
295.20578	1.4
297.22095	2.0
299.20355	1.4
299.23721	2.6
301.21625	1.1
307.24011	0.9
309.22177	3.5
309.25607	0.9
311.20181	1.6
311.23700	5.8
313.21619	2.0
313.25171	0.9
325.25287	1.5
327.23227	3.1
329.24802	2.4
337.25024	0.8
339.23264	1.2
339.26944	1.0
341.24872	1.2
353.24689	1.7
355.26413	2.1
359.21075	0.9
367.26257	3.1
367.30276	1.2
377.28400	2.7
385.27353	2.9
389.31735	1.3
393.31763	1.3
395.29398	7.3
401.17477	0.8
403.28650	1.8
405.31454	2.5
407.27866	2.0
407.32922	13.4
415.28247	1.9
417.31470	4.5
423.32523	7.6
425.34073	15.0
425.39722	1.0
435.32538	20.9
441.33582	2.9
453.33545	37.5
454.34308	1.1
469.33044	1.8
471.34616	32.6
489.35736	17.0
545.36206	1.2
549.35474	1.1
563.37311	2.7
581.38281	2.1
599.39410	2.5
603.38800	9.8
617.40308	2.1
621.39850	15.8
749.44836	4.1
767.45795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
55.05500	4.0
56.05217	0.3
57.03148	0.6
57.03428	10.9
57.07074	0.7
59.04982	1.9
61.02902	0.9
63.70597	0.3
65.03928	0.8
67.05496	5.6
69.03416	12.5
69.06793	0.3
69.07063	3.1
69.76051	2.9
71.01337	2.5
71.04980	67.1
72.05313	0.4
73.02905	8.3
75.04465	3.9
77.30466	0.4
79.05484	3.2
81.03417	2.0
81.07042	6.6
83.04966	31.5
83.08594	1.7
85.02890	100.0
85.06531	1.2
86.03258	0.6
87.04436	2.9
91.05459	3.4
93.07024	6.6
95.04944	3.6
95.08592	13.8
97.02873	12.8
97.06506	1.5
97.10165	1.3
99.04432	8.6
99.05038	0.6
99.08076	0.9
101.04895	0.4
101.05988	0.9
103.03926	0.6
105.07015	6.2
107.04929	0.6
107.08578	8.7
109.02870	0.9
109.06506	1.7
109.10141	8.7
111.04418	7.4
111.08090	1.0
113.06000	1.0
113.09654	1.5
115.03906	7.1
115.05428	0.5
117.05475	4.2
117.06994	1.0
119.08558	7.5
121.06506	1.6
121.10126	8.3
122.07282	1.2
123.04440	0.7
123.08053	10.3
123.11688	3.6
125.05957	0.4
125.09595	2.0
127.03889	2.4
127.11162	0.8
129.05457	26.9
129.07005	0.8
131.08545	3.5
133.04932	1.1
133.06509	0.6
133.10110	6.3
135.04378	0.6
135.08067	1.2
135.11665	7.5
137.09592	61.3
137.13162	2.7
138.09932	1.2
139.03876	2.5
139.07477	0.4
139.11162	0.7
141.07010	0.5
141.09087	4.8
142.07697	0.4
143.08516	2.3
143.10670	1.0
143.50946	0.4
145.04915	4.0
145.10126	4.8
147.06491	8.4
147.07997	0.8
147.11661	4.0
148.32762	0.4
149.09621	0.9
149.13246	2.8
151.07544	0.5
151.11166	0.7
151.14848	0.5
155.08540	1.1
157.04936	1.1
157.10100	3.1
159.06680	0.4
159.08054	0.9
159.10165	1.2
159.11681	4.4
161.09639	1.4
161.13240	3.5
163.06020	1.9
163.11160	0.7
163.14803	1.4
165.12756	0.7
167.10716	0.4
169.10112	1.5
171.06520	1.4
171.11641	2.5
173.09677	1.0
173.13234	2.9
175.11200	1.1
175.14867	1.8
177.12732	0.9
177.16371	1.3
179.10712	2.0
181.10109	0.5
183.06639	0.5
183.11726	1.7
185.09616	0.5
185.13248	2.2
187.11284	0.5
187.14767	2.3
189.12773	1.0
189.16359	2.4
189.83098	0.4
191.17871	2.9
193.12219	0.4
195.06651	0.4
195.11757	0.7
197.13298	1.4
199.05960	0.5
199.09644	0.5
199.11317	0.5
199.14812	1.8
201.12747	0.9
201.16338	2.0
203.14334	0.9
203.17998	1.5
207.17430	0.5
209.13275	0.9
211.14861	1.2
213.12677	0.6
213.16402	1.3
215.14349	0.9
215.18068	0.6
217.10649	0.8
217.15907	0.5
217.19525	0.7
219.13780	0.6
221.13249	0.5
223.14767	0.6
225.07516	4.2
225.16336	0.6
227.17955	1.0
229.19556	0.8
231.13809	1.2
237.16403	0.7
239.17992	0.5
241.15842	0.7
241.19458	0.5
243.08621	2.6
243.17500	0.5
243.21074	1.3
245.15381	0.8
247.16992	0.5
249.15009	0.6
253.19542	0.6
255.21057	0.6
257.15222	0.5
261.09686	1.7
267.21088	0.5
269.22614	0.5
279.10809	1.7
279.21036	0.5
281.22629	0.5
283.24237	0.9
293.22488	1.9
297.21872	0.6
301.21558	0.4
309.22110	0.7
311.23657	1.4
313.21622	0.8
313.24973	0.7
315.23254	0.5
317.21158	0.4
321.25751	0.6
323.27411	0.5
327.23163	0.7
329.24728	0.9
331.26401	0.4
339.23099	0.7
341.28427	0.6
349.25006	0.9
357.24158	3.9
365.28494	0.8
366.75400	0.4
367.26389	1.3
375.25757	0.9
375.30701	0.5
381.28009	0.5
383.29355	2.3
393.31796	0.8
401.30774	0.7
407.33078	1.1
411.32715	0.9
413.30463	0.6
417.31271	1.3
423.32648	0.4
425.34222	0.8
435.32520	8.4
436.32858	0.6
437.34064	0.6
441.33691	0.4
453.33585	24.4
454.34088	1.8
471.34631	20.5
472.35220	1.2
489.35620	9.2
585.37634	0.9
603.38623	3.6
621.39917	3.5
677.39410	0.5
679.39996	0.6
731.43719	2.3
749.31030	0.8
749.44635	19.9
750.44720	1.6
767.45618	24.2
768.46118	2.0
768.85406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4553
Annotation	Pictoside A
Peak:m/z	Relative Intensity
55.01862	3.6
55.05500	6.0
57.03420	12.7
57.07068	1.6
59.05003	1.4
61.02913	5.6
67.05489	13.3
69.03416	21.0
69.07053	10.2
71.01349	3.5
71.04977	46.8
73.02902	17.1
75.04463	5.4
79.05473	6.6
79.19965	0.7
81.03400	6.2
81.07037	17.8
83.01311	0.7
83.04963	10.3
83.08595	2.7
85.02886	100.0
85.06516	0.6
87.04449	3.5
91.03954	1.6
91.05460	9.5
93.07021	14.3
93.07568	1.2
95.04929	4.4
95.08587	26.2
97.02869	24.9
97.06518	3.1
97.10127	3.1
98.20628	1.5
99.04438	7.0
101.06000	0.9
102.82310	0.6
103.03943	1.2
105.07011	14.3
107.04916	1.3
107.08566	22.4
109.02869	4.0
109.06511	2.8
109.10133	31.9
110.35897	0.5
111.04430	6.6
111.08057	2.3
113.05980	0.8
113.09655	1.2
115.03907	13.2
117.05482	2.0
117.06997	2.7
119.08553	17.1
121.06481	2.7
121.09238	0.9
121.10120	18.3
121.10956	1.3
123.08057	4.5
123.11678	13.7
125.05991	0.9
125.09606	4.9
127.03896	9.8
127.11177	3.4
128.06215	0.9
129.05453	17.7
129.06949	1.3
131.08554	6.1
133.04979	5.3
133.06534	0.7
133.10100	16.0
135.08060	2.9
135.11667	15.9
137.05943	1.7
137.09581	48.4
137.13193	4.0
139.03900	1.7
139.07523	0.7
139.11179	1.2
141.09096	3.0
142.07779	1.0
143.08519	4.4
143.10687	0.9
145.04924	10.8
145.10089	11.4
147.04425	1.3
147.06519	5.4
147.08014	2.0
147.11661	11.7
149.09613	2.0
149.13206	7.0
151.07529	1.0
151.11195	2.0
153.09088	0.8
153.12743	0.8
155.08539	1.8
157.04942	1.0
157.10074	6.0
158.10965	0.8
159.08066	1.6
159.11667	9.8
161.09605	2.1
161.13231	8.7
163.06003	2.3
163.07492	1.3
163.11180	2.2
163.14755	5.1
165.09100	1.4
165.12714	1.3
169.10083	1.9
170.10910	0.9
171.06496	1.2
171.11682	5.6
173.09550	1.0
173.13220	6.2
175.11176	1.6
175.14783	5.5
177.09074	0.8
177.12761	1.4
177.16374	2.3
179.10687	1.1
179.14325	1.5
181.04890	0.8
181.10098	1.0
181.12044	0.7
183.11615	3.4
185.13203	5.8
187.11180	1.0
187.14784	7.9
189.09114	0.9
189.12695	0.9
189.16359	6.5
191.10666	2.1
191.14281	0.7
191.17915	5.5
193.10252	0.6
193.12196	0.9
193.85992	0.8
195.11574	1.3
197.13220	2.4
199.11278	0.9
199.14772	4.4
201.12706	1.0
201.16356	6.0
203.14392	1.5
203.17938	4.4
205.12331	1.0
205.15831	1.3
205.19600	1.2
209.13283	2.1
211.14848	2.3
213.12732	0.8
213.16367	2.0
215.14325	1.6
215.17987	1.9
217.10565	1.2
217.12402	0.7
217.15860	1.3
217.19614	2.5
219.13821	1.4
219.17407	0.8
223.14876	1.3
225.07642	2.5
225.16380	1.5
227.14450	0.9
227.17960	1.6
229.15887	1.2
229.19496	1.0
231.13954	1.7
231.17311	1.1
233.15324	1.3
235.16959	0.9
237.16443	1.3
239.17993	1.1
241.15903	1.2
241.19507	1.5
243.08572	1.7
243.17351	1.6
243.21088	2.0
245.15352	1.7
247.16913	2.9
251.18187	0.9
253.19550	1.8
255.17377	0.7
255.20999	2.2
257.19031	1.1
267.20901	1.2
269.19049	0.8
271.20557	0.8
273.18442	1.5
279.10712	0.9
281.19247	0.7
281.22620	0.9
283.20630	1.2
285.18707	0.8
285.22018	1.0
287.20236	1.0
293.22498	1.3
295.20737	1.1
295.23895	1.2
297.22076	0.8
299.20099	1.0
301.21600	2.3
311.23709	1.7
313.21588	1.7
313.25226	1.8
315.23221	2.8
327.23318	0.8
335.23828	0.7
349.25369	0.7
351.27048	0.9
355.26401	1.0
357.24197	6.3
365.28336	1.4
367.26334	1.7
369.27771	4.3
373.27524	1.2
374.40158	0.6
375.25256	1.1
377.32077	1.0
381.27957	1.6
383.29352	2.6
391.28702	0.9
393.31686	1.5
395.29459	1.0
399.29327	0.8
401.31259	0.7
405.31302	1.2
407.32980	2.4
409.34668	1.7
417.31293	1.5
419.33118	2.7
423.32404	7.0
425.33875	1.1
435.32611	6.4
437.34048	10.7
437.39563	1.1
439.35641	0.7
441.33212	3.8
453.33603	16.1
455.35220	9.6
459.34891	2.8
471.34656	23.4
472.35193	1.2
473.36182	15.2
474.36206	0.9
489.35626	22.8
490.36102	0.7
569.39728	0.6
585.37750	1.1
603.38885	10.8
603.54651	0.6
604.39136	0.7
617.40167	0.8
621.39917	11.2
694.51697	0.8
731.43781	2.5
749.44641	18.2
750.44824	1.6
767.45850	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	767.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48488	0.4
55.01860	2.1
55.05500	4.6
57.03429	10.4
57.07053	1.4
59.04988	2.1
61.02908	1.4
65.03931	0.9
67.05498	6.0
69.03418	14.8
69.07066	3.7
70.03754	0.5
70.06590	0.9
71.01357	2.1
71.04981	65.4
72.05310	0.9
72.08150	1.8
73.02909	8.3
75.04469	4.0
79.05477	3.4
81.03411	3.4
81.07043	8.3
83.04971	31.3
83.08590	1.0
84.17417	0.5
85.02893	100.0
85.06518	1.0
86.03230	1.7
87.04466	2.6
91.05460	5.4
93.07031	8.8
95.04948	3.6
95.08593	13.7
97.02879	12.9
97.06532	2.1
97.07632	0.7
97.10163	1.2
98.21532	0.9
99.04440	8.4
99.08099	0.8
101.05997	0.9
103.03937	0.9
103.05424	1.0
104.39026	0.4
105.07027	6.7
107.04957	1.3
107.08581	11.0
108.08871	0.6
109.02880	2.0
109.06527	2.1
109.10145	8.6
109.10873	0.8
110.02406	2.2
111.04428	7.1
111.08076	1.1
113.05993	1.0
113.09631	1.5
114.09160	1.4
114.10279	2.4
114.12807	0.8
115.03912	8.6
115.05384	0.5
115.67123	0.5
116.07110	0.6
117.05482	4.3
117.07029	1.7
119.04949	2.2
119.08566	8.7
121.06523	2.4
121.10120	8.7
122.07320	1.1
123.04468	1.0
123.08057	9.4
123.11696	5.0
125.06002	1.1
125.09618	2.6
127.03883	3.4
127.11224	0.9
129.05457	25.5
130.08638	1.6
131.04930	1.2
131.08556	3.7
133.02855	0.9
133.04941	1.4
133.06468	0.8
133.10107	8.2
135.04391	1.3
135.08041	1.5
135.11682	7.5
137.05997	3.0
137.09595	58.4
137.13191	2.2
138.09955	0.9
139.03903	2.7
141.09088	4.1
143.03371	0.8
143.08568	2.1
143.10693	1.4
145.02898	0.5
145.04918	3.9
145.06522	0.8
145.10085	7.0
145.10995	0.5
147.04395	8.9
147.06496	8.1
147.07875	0.9
147.11659	4.2
148.04726	1.3
149.05980	1.1
149.09601	1.6
149.13234	3.4
151.03888	0.8
151.07541	0.7
151.11200	1.0
152.04289	0.4
152.07088	1.3
153.05492	0.6
155.08545	0.9
157.04912	0.6
157.10098	2.4
158.10809	0.7
159.08057	1.0
159.10275	0.9
159.11696	5.4
161.06003	0.8
161.09642	1.5
161.13199	3.1
163.03865	2.2
163.06046	1.9
163.07561	1.2
163.11244	1.7
163.14813	2.0
165.05481	0.6
165.09129	0.5
166.01521	0.5
167.07033	0.7
169.10098	0.9
171.06523	1.4
171.11653	2.9
173.09673	1.0
173.13239	3.1
175.03870	0.9
175.11136	1.1
175.14815	2.1
177.05365	2.1
177.09106	0.8
177.12752	1.2
177.16383	0.8
179.07153	0.6
179.10660	1.7
182.05026	0.5
183.11771	1.3
185.09598	0.5
185.13280	2.0
187.07539	0.7
187.11186	1.2
187.14795	2.6
189.09155	0.5
189.12782	0.6
189.16316	3.0
191.10715	0.8
191.14346	0.7
191.17923	2.7
193.12213	0.5
194.09239	1.3
197.13232	1.3
199.11177	0.7
199.14822	1.5
201.12801	0.4
201.16391	2.4
203.14230	0.8
203.18001	1.5
205.12187	0.8
205.15773	0.8
205.19609	0.6
207.06517	0.9
209.13330	0.9
209.20135	0.4
211.14798	0.6
213.16423	1.6
215.10742	0.9
215.17924	1.1
217.10736	1.1
217.19446	0.8
219.13788	0.7
223.14854	1.2
225.07538	3.8
225.16418	0.6
227.18004	0.8
229.15907	0.6
229.19586	0.6
231.13808	1.1
233.15295	0.7
235.14764	0.5
239.18021	0.5
243.08589	3.0
243.13783	0.7
243.21251	0.7
245.15364	0.9
246.11198	0.5
247.16995	0.9
253.19603	0.6
255.21031	1.2
257.15683	0.5
261.09750	2.7
263.08112	2.6
267.21283	0.6
277.16568	1.1
278.16830	0.5
279.10693	2.5
279.21359	0.5
281.22705	0.7
285.11133	0.5
293.22498	2.2
295.24084	0.8
307.24347	0.6
311.23700	1.8
313.21762	0.7
313.25226	1.0
315.23260	0.9
317.21216	0.5
325.10867	0.6
329.24695	0.6
349.25378	1.1
357.24130	4.1
365.28345	1.4
367.26288	0.7
375.25381	0.7
383.29343	3.0
393.31641	0.6
401.30579	0.7
407.33118	0.8
411.32779	0.6
417.31519	1.3
423.32489	0.7
425.34201	0.8
435.32559	8.1
437.33981	0.8
441.33582	0.5
453.33588	20.5
454.34222	0.7
455.35382	1.9
471.34656	17.4
472.35065	0.9
473.36020	2.7
474.36688	0.6
489.35635	5.8
490.36093	1.1
563.37897	0.5
585.37708	1.1
603.38928	2.8
621.39484	1.1
621.95416	0.5
677.38226	0.5
699.04437	0.6
731.43719	2.1
747.30011	0.5
748.31281	0.8
749.31470	0.6
749.44507	16.8
750.45197	1.0
763.29840	1.5
764.30396	1.7
767.45648	22.9
768.46069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.456
Annotation	Bacopaside IV
Peak:m/z	Relative Intensity
55.01855	6.3
55.05505	6.8
56.05847	0.5
57.03426	12.6
57.03723	0.7
57.03834	0.7
57.07060	2.4
59.04987	1.9
61.02918	10.6
63.06378	0.5
65.03925	1.0
67.05493	14.8
69.03417	32.2
69.07056	14.6
71.01333	1.8
71.04982	11.1
71.08656	0.6
71.79772	0.7
73.02902	21.1
75.04465	0.9
76.28045	0.5
79.05477	8.4
81.03403	10.2
81.07042	22.1
83.01340	1.2
83.04971	5.2
83.08605	4.9
85.02890	100.0
85.06509	1.2
86.03207	1.3
87.04462	3.6
91.03939	3.3
91.05455	9.8
93.07032	17.0
95.04949	3.5
95.08591	27.9
97.02875	39.1
97.06489	2.7
97.10138	5.5
99.04436	6.2
99.08047	1.3
103.03944	1.5
105.04508	0.6
105.07015	16.1
107.04906	0.5
107.08572	27.7
109.02866	7.6
109.06512	3.0
109.10138	36.1
111.04440	1.4
111.08084	1.7
111.11703	1.2
113.09668	0.7
114.09189	0.6
115.02686	0.6
115.03912	15.6
116.27267	0.5
117.06989	3.2
119.04993	0.6
119.08559	19.0
121.06517	2.3
121.10126	23.8
122.10433	0.6
123.04404	0.7
123.08060	2.4
123.11690	19.9
125.09609	7.1
127.03896	18.4
127.11188	2.1
129.05470	3.3
129.06999	1.7
131.08542	7.8
133.04945	11.9
133.06438	0.9
133.10107	17.4
135.08011	3.0
135.11674	20.5
136.27960	0.5
137.05975	1.2
137.09581	6.7
137.13222	8.3
139.07564	0.9
139.11185	1.0
142.07780	1.0
143.08545	5.3
143.10683	1.2
144.09312	0.7
145.04932	22.0
145.10107	12.1
147.04411	1.1
147.06508	1.6
147.08047	1.8
147.11668	12.4
149.09528	2.6
149.13231	9.9
151.07567	1.0
151.11162	1.0
151.14803	2.1
153.12701	1.2
154.59636	0.6
155.08586	1.2
156.09293	0.7
157.05060	0.6
157.10098	6.7
158.10835	0.7
159.06326	0.5
159.08072	1.5
159.11670	11.9
159.12930	0.9
161.09627	1.9
161.13229	9.6
163.06006	2.5
163.07542	2.8
163.11176	2.1
163.14790	5.7
165.09106	1.3
165.12755	1.4
166.89998	0.6
166.91469	0.6
167.10776	0.9
169.10045	2.8
171.11661	6.3
173.09673	1.2
173.13231	7.5
175.11203	1.2
175.14775	7.0
177.09055	2.7
177.12779	1.2
177.16371	3.7
179.10684	1.9
179.14299	1.2
179.17955	0.7
183.11629	3.4
185.13202	5.6
187.05920	0.5
187.11217	0.8
187.14790	10.0
189.09132	1.5
189.12804	1.6
189.16341	7.9
191.10683	2.3
191.17911	8.7
193.12294	1.3
193.19600	0.7
195.01646	0.6
195.11714	1.7
197.13261	2.5
199.14769	4.4
201.12726	0.9
201.16383	6.9
203.10622	0.9
203.14330	2.0
203.17944	6.9
205.12254	1.7
205.15877	0.9
205.19540	1.2
207.17398	1.2
209.13387	0.9
211.14853	2.5
213.12804	1.1
213.16371	4.3
215.14470	1.4
215.17906	3.1
217.12230	1.1
217.15936	1.3
217.19557	1.8
219.13850	1.8
219.21056	1.1
221.15326	1.2
223.05986	1.1
223.14925	0.7
225.16400	1.5
227.14401	1.3
227.17972	1.4
229.15883	2.3
229.19539	1.5
231.13774	1.5
231.17371	1.2
233.15410	2.3
235.16954	0.7
239.17998	0.9
241.07031	1.0
241.15877	1.0
241.19536	1.6
243.13773	0.7
243.17461	1.0
243.21127	2.3
245.15283	3.2
247.16856	3.4
249.16293	0.8
251.17943	0.7
253.19495	1.8
255.17473	0.7
255.21033	3.2
257.19040	1.1
257.22845	0.8
259.08075	0.9
259.16849	1.9
261.18527	0.9
267.21100	1.3
269.22729	1.2
271.17014	1.1
271.20291	0.7
273.18353	0.7
275.19949	1.0
281.22641	1.5
283.20502	0.6
283.24243	1.0
285.18753	0.6
285.22119	0.6
287.20050	0.8
293.22647	1.0
295.24167	1.9
297.22192	1.2
299.20111	1.4
299.23477	0.7
301.21677	1.2
309.22348	0.6
309.25702	0.9
311.23746	1.5
313.21625	2.1
313.25293	2.0
315.23120	5.6
323.27451	1.4
327.23154	0.6
339.26776	0.8
351.26764	0.9
355.26373	1.7
357.24377	2.0
369.27832	9.7
373.27362	2.5
377.31989	1.9
381.27982	2.0
383.29025	0.8
387.28809	3.4
391.28461	2.3
391.33652	1.3
395.33170	1.9
399.28918	1.8
401.32019	1.5
407.33093	2.2
409.34586	4.4
417.30469	1.0
419.33032	6.7
425.34082	1.6
435.32764	0.7
437.34064	23.5
438.34546	1.2
439.35938	1.4
453.33630	2.8
455.35144	20.4
456.35001	0.7
471.34607	1.5
473.36215	33.5
474.36557	2.0
489.35800	1.1
533.35870	0.8
587.39294	1.2
605.40179	1.0
621.39679	1.1
630.09399	0.6
667.36292	0.8
749.44678	5.8
767.46191	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	766.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.0
55.05498	5.2
56.59044	0.4
57.03428	10.3
57.07066	25.0
67.05492	11.9
69.03383	1.3
69.07056	6.7
71.01327	0.8
71.04948	1.6
71.08619	18.1
71.29726	0.5
71.30053	0.6
73.02876	0.8
79.05482	6.3
81.03403	50.6
81.07043	15.7
83.04961	2.8
83.08604	17.1
84.96861	0.4
85.02872	1.9
85.06503	0.6
85.10170	10.6
89.05978	1.0
91.05469	9.0
93.07025	5.2
95.01302	1.0
95.04955	16.2
95.08591	15.8
95.44012	0.4
97.02865	2.8
97.06494	1.5
97.10146	3.9
99.08067	0.6
99.11660	0.6
103.07545	1.0
105.07016	6.6
107.04942	4.5
107.08596	2.5
109.02841	0.5
109.06468	1.7
109.10127	7.4
111.04404	1.0
111.08073	4.8
111.11678	0.9
113.02312	0.6
115.05421	1.0
117.06980	1.0
117.09073	0.6
119.04906	0.5
119.08574	8.0
121.06500	2.0
121.10138	3.4
123.04421	2.2
123.08018	1.1
123.11656	2.3
125.09577	0.8
125.13198	0.6
129.06976	5.3
131.08557	4.6
133.06421	1.8
133.10100	2.9
135.04356	0.5
135.11633	0.7
137.05911	0.6
137.09573	0.7
137.13188	1.0
141.01761	1.8
142.07706	1.2
145.10083	1.3
147.08032	1.9
147.11688	4.9
149.09566	3.3
151.14667	0.5
157.10106	6.1
161.05919	0.8
163.11150	1.2
165.12726	1.4
175.03842	0.4
175.11160	5.7
187.11052	0.5
193.12210	25.5
205.12138	1.1
207.13730	0.8
209.87204	0.4
211.13176	1.2
225.14830	0.5
235.13252	3.6
239.23671	2.6
243.86169	0.4
249.14799	1.5
257.24698	2.0
259.13290	1.1
267.15866	96.9
268.16196	2.1
271.13193	1.2
277.14291	1.5
285.16812	0.9
287.12738	0.9
289.14340	1.7
305.13394	0.5
309.16965	3.6
313.27310	100.0
314.27628	3.3
315.12122	1.8
331.28317	0.7
333.13303	1.2
351.14426	1.2
363.18274	0.5
369.15472	0.6
389.15894	1.4
407.16946	1.0
415.26871	1.2
443.19180	3.7
489.30408	2.2
505.38803	82.5
506.39160	5.5
523.40076	1.5
547.39832	5.3
557.89105	0.5
565.40582	0.5
601.41022	2.9
627.39105	1.6
645.39825	1.8
663.40735	2.5
681.41858	0.5
727.82068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01868	0.5
55.05501	1.8
57.03434	2.5
57.07073	0.6
61.02917	6.8
62.30698	0.3
63.82962	0.3
67.05495	8.1
69.03417	3.3
69.07057	1.9
71.01337	0.4
71.04977	2.9
71.08624	0.3
73.02910	5.4
79.05482	4.9
80.88084	0.3
81.03411	2.2
81.07045	9.5
83.04974	0.8
83.08606	1.2
85.02888	7.0
85.06525	0.6
87.04440	0.4
91.03937	4.8
91.04470	0.4
91.05470	3.8
93.06487	0.6
93.07034	5.3
94.07424	0.3
95.04995	0.6
95.08595	4.7
97.02873	5.9
97.03457	0.5
97.06509	0.5
97.10158	0.7
98.20677	0.6
99.04447	1.3
101.02366	2.0
103.03938	0.6
105.07029	1.9
107.08575	2.6
109.02889	1.0
109.06509	0.4
109.10142	2.0
111.08105	0.5
115.03926	0.7
117.07041	0.9
119.08555	1.6
121.10129	2.4
123.11716	1.1
127.03902	1.8
131.08557	1.4
133.10101	2.4
135.11690	1.7
144.24118	0.3
145.05005	0.4
145.10126	0.7
147.11705	0.8
147.38582	0.4
149.13242	0.7
151.11174	0.9
159.11757	1.0
161.13268	0.4
173.13264	0.5
184.07359	0.3
185.04259	0.7
187.01753	0.3
187.13268	0.4
203.05322	0.6
243.08430	2.4
257.17355	0.4
267.15717	2.2
285.07852	0.5
311.25754	0.5
323.18356	0.4
333.15143	1.0
335.25800	1.1
340.29599	0.3
453.21210	0.3
485.23447	4.8
519.29260	8.2
520.29749	0.6
551.23456	0.5
582.13763	0.4
763.45905	100.0
764.46204	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	765.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05499	4.9
57.03428	11.2
57.07061	1.2
59.04983	1.0
61.02913	1.7
65.03929	0.7
67.05494	4.8
67.28486	0.3
69.03419	6.4
69.07050	4.1
71.01329	1.9
71.04980	65.6
71.79928	0.4
72.05316	0.3
73.02901	4.8
73.06503	0.2
75.04472	5.9
77.03909	0.3
79.05481	3.9
81.03416	2.6
81.07040	11.5
83.04964	11.4
83.08592	2.4
85.02889	100.0
86.03207	0.5
86.06073	0.5
87.04454	2.5
89.06014	0.7
91.05458	4.8
93.07027	9.1
95.04955	2.5
95.08590	16.1
97.02875	7.0
97.06518	1.5
97.10146	1.0
97.11584	0.3
97.50848	0.3
99.04446	3.0
99.08076	4.3
101.05997	1.0
103.03941	0.6
105.07011	7.0
107.04977	0.6
107.08573	17.6
108.08884	0.5
109.02852	1.8
109.06493	1.9
109.10134	13.0
111.04425	6.6
111.08060	0.6
111.11733	0.5
113.02413	0.3
113.05974	0.4
115.03983	0.3
117.05504	2.3
117.06974	0.9
119.04941	0.3
119.08557	9.8
119.09385	0.5
121.06496	1.0
121.10121	18.0
121.55328	0.3
123.04402	0.6
123.08060	1.5
123.11685	6.0
125.05963	0.7
125.09605	6.5
125.10465	0.4
127.03896	4.6
127.07530	1.9
127.11170	2.5
128.06200	0.4
129.05458	28.3
129.07019	0.7
131.08525	3.2
133.10104	8.8
135.04401	0.4
135.08032	6.3
135.11668	11.3
137.05966	0.4
137.09593	3.1
137.13231	1.9
139.03911	0.4
139.11157	1.3
141.05470	0.3
143.08553	1.2
143.10684	1.1
144.09317	0.3
145.04945	2.4
145.10094	8.6
145.11200	0.5
146.10559	0.3
147.04454	0.9
147.06500	10.5
147.07787	0.5
147.11661	7.0
149.09598	6.9
149.13220	6.3
151.11134	1.7
153.05426	0.6
156.09357	0.4
157.04944	0.5
157.10112	2.7
159.06526	0.5
159.11671	7.5
159.12920	0.5
161.09607	1.5
161.13222	4.5
163.05997	2.2
163.11140	1.1
163.14783	3.0
165.12782	0.7
167.10695	1.0
167.14372	0.5
169.04982	0.5
169.10173	0.6
171.06532	0.7
171.11670	2.4
173.09727	0.4
173.13223	4.2
175.06093	0.3
175.11177	0.9
175.14813	3.3
177.09195	0.3
177.12801	0.4
177.16333	1.8
179.14198	0.6
183.11700	1.1
184.12480	0.3
185.13252	2.0
187.14784	6.0
189.12714	0.4
189.16360	5.6
191.14359	1.3
191.17909	24.7
193.15881	0.5
197.13139	0.6
199.14784	2.4
201.12704	0.4
201.16354	5.5
201.18109	0.4
203.14395	0.6
203.17938	5.3
204.91084	0.3
205.15846	1.3
207.06537	0.3
207.17413	1.5
209.13519	0.3
209.15320	1.4
211.14847	0.8
213.07671	0.4
213.16350	3.6
215.14337	1.1
215.17924	3.1
217.10722	0.7
217.15881	5.3
217.19383	3.6
219.17467	1.2
219.21025	0.4
225.16403	0.9
227.17941	1.5
229.15913	0.8
229.19514	0.7
231.17403	5.6
231.21014	0.7
233.15369	2.9
233.19084	1.1
235.16920	2.5
239.09184	1.1
239.17950	0.4
241.19551	0.8
243.17461	0.8
243.21115	0.5
245.19055	0.8
247.20627	0.3
249.18454	3.0
252.27982	0.3
253.19514	0.8
255.08682	1.0
255.21098	1.3
257.10123	0.3
257.22589	1.8
259.20605	0.7
261.18353	0.3
261.22079	0.3
267.15894	0.5
267.21155	0.4
269.18933	0.3
269.22644	0.8
271.20657	0.4
273.09799	0.8
273.22086	0.5
275.20154	0.5
279.21030	0.4
281.22791	0.5
283.20517	0.5
285.22089	0.6
287.23709	0.3
291.10794	0.6
293.22427	0.4
295.24094	0.4
297.22189	0.6
299.23737	0.7
305.24686	0.7
309.11880	0.8
309.22476	0.3
311.23935	0.3
311.27240	0.4
315.26874	0.6
323.27493	0.6
325.25418	0.4
329.25061	0.3
335.27426	1.0
341.28262	2.4
349.28931	0.7
351.26706	0.5
351.30573	1.0
353.28378	0.8
359.29208	0.5
361.29007	0.4
367.29834	0.4
369.27591	0.4
369.31750	0.8
379.30133	0.6
397.30823	0.4
403.33557	1.2
419.33145	0.9
421.34586	19.4
422.35049	0.6
425.34332	1.0
437.33984	2.4
439.35666	35.8
440.35916	1.4
455.35141	4.5
457.36768	7.5
473.36127	5.6
567.41296	0.4
583.39575	0.3
601.40820	1.1
619.41962	4.4
677.42310	0.4
747.46680	2.4
765.47693	29.4
766.48151	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
53.09421	1.1
55.01863	2.5
55.05262	2.0
55.05505	25.1
57.03431	23.0
57.07064	3.0
59.04987	1.1
61.02913	2.3
65.03940	2.6
65.66412	1.1
67.05497	77.7
69.03416	5.7
69.07059	21.3
71.01405	4.3
71.04984	7.3
71.08621	1.3
71.44672	1.0
79.05482	55.9
80.05817	1.4
81.03407	95.6
81.07046	81.9
82.07391	1.6
83.04967	8.8
83.08607	28.2
85.02902	1.5
85.06525	4.0
86.09698	3.2
87.04433	1.2
91.05464	45.5
93.07030	62.5
94.07328	1.5
95.04953	36.7
95.08595	56.3
96.08981	1.2
97.02881	4.4
97.06532	6.4
97.10143	7.8
99.08097	3.5
105.07016	37.3
107.04942	8.9
107.08577	35.6
107.09673	1.2
109.06480	7.7
109.10141	28.8
111.04424	1.8
111.08064	6.7
113.05982	1.5
113.09621	1.3
115.05433	3.1
117.07000	12.4
119.08566	35.7
121.06510	4.1
121.10125	30.5
123.04441	2.1
123.08076	4.7
123.11678	8.7
124.99989	2.0
125.09641	6.3
127.07607	1.2
129.06992	13.5
131.08546	24.1
133.06476	3.5
133.10112	22.2
135.08034	3.0
135.11661	17.2
137.09601	3.8
137.13213	1.7
139.11148	2.8
140.57999	1.0
142.07785	2.2
143.08537	2.9
145.10100	13.8
147.04395	1.5
147.08028	3.2
147.11656	18.8
149.09575	6.7
149.13229	9.6
157.10115	16.4
159.11684	10.1
161.13252	7.1
163.11211	3.1
163.14769	5.3
165.12738	4.2
169.10152	2.3
171.10358	1.3
171.11688	4.0
173.09599	1.8
173.13184	7.2
175.11163	10.9
175.14777	3.0
177.12775	2.1
177.16422	1.2
181.10056	1.5
183.11668	2.9
184.07315	9.0
185.13255	3.7
187.14833	4.7
189.11259	4.1
193.12219	25.4
197.13248	1.8
199.14847	2.2
211.13245	3.8
213.16458	1.2
225.16220	1.2
227.12689	7.6
229.14265	1.2
235.13261	1.7
241.14253	1.5
243.21089	4.2
247.16936	1.4
249.14781	2.4
259.20706	1.3
261.22073	16.9
267.15863	100.0
268.16211	2.3
279.23260	1.8
285.16934	7.7
287.18417	1.9
289.21155	1.6
299.23495	1.4
301.25244	7.3
309.16968	1.6
313.55792	1.2
317.24808	3.4
319.15488	1.4
333.24109	1.6
335.25769	84.2
336.26089	5.1
341.24945	1.6
373.27625	1.7
403.25226	1.3
421.25757	2.3
435.27170	3.1
435.32602	6.4
453.33585	10.8
471.34714	5.8
509.36273	2.8
517.38416	1.8
527.37244	69.1
528.37823	3.5
545.38318	73.3
546.38586	5.6
563.39075	6.9
569.38019	5.0
623.38708	1.3
761.40015	3.7
779.22095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01855	0.8
55.05231	0.7
55.05501	13.6
57.03427	6.5
57.07066	2.5
59.03280	0.4
59.04980	1.5
61.02899	2.4
65.03919	2.0
65.34536	0.5
67.05494	62.9
69.03419	1.7
69.07058	10.5
71.04980	19.8
71.08612	0.5
71.24557	1.0
73.02888	0.5
73.06553	0.6
77.03894	0.6
79.05481	30.3
81.03382	1.2
81.07042	92.3
81.73090	0.5
82.07380	1.2
83.04971	3.5
83.08604	7.9
85.02898	2.7
85.06532	8.0
85.65137	0.5
88.39811	0.5
91.03940	0.8
91.05463	25.4
93.07030	38.4
94.07351	0.5
95.04962	3.4
95.08589	28.2
97.02882	1.7
97.06514	5.2
97.10159	2.3
99.08096	1.0
105.04491	0.6
105.07017	15.5
107.08572	22.5
109.06518	1.9
109.10137	12.0
111.08061	2.3
117.07008	5.1
119.08563	8.3
121.10122	15.4
123.08037	1.1
123.11684	14.0
129.06976	0.9
131.08539	9.1
133.10106	20.2
135.11668	9.9
135.96765	0.5
137.13225	0.9
139.11166	0.8
143.08589	0.7
145.10083	4.0
147.11647	4.5
149.13242	6.6
151.11140	7.0
157.10136	0.6
158.05414	0.6
159.11656	5.6
161.13243	2.5
163.14810	0.9
169.12250	1.4
171.11671	1.2
173.13225	2.8
175.14732	0.7
177.12770	1.8
179.14258	0.7
183.13760	2.6
184.07330	1.2
185.13257	0.8
187.13280	4.3
187.14842	1.5
195.13771	1.4
201.14806	1.1
227.16417	1.8
241.19789	0.7
243.15897	1.2
253.17992	1.2
257.17563	1.5
259.20645	1.1
261.22101	2.7
269.17444	5.9
301.20032	19.9
301.23337	1.1
302.20468	0.6
317.24847	1.7
335.25735	29.7
336.26218	1.3
377.25867	0.6
393.31573	0.6
411.32556	1.3
429.33575	0.6
437.33688	1.2
485.36148	2.9
503.37234	93.5
504.37622	7.0
511.37738	0.7
517.39105	3.7
529.38770	17.7
530.39093	1.6
547.39642	1.0
561.41412	100.0
562.41785	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	760.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.1
54.80941	1.3
55.01860	4.0
55.05502	22.8
57.03429	13.6
57.07048	2.4
61.02901	6.7
61.04214	1.5
65.03934	2.5
67.05493	100.0
68.05820	2.3
69.03419	6.7
69.07058	24.8
71.04982	34.1
71.08618	6.3
71.79866	1.9
73.02894	1.8
74.09712	3.0
79.05482	52.7
80.69996	1.7
81.03413	12.6
81.07043	75.7
82.07374	1.4
83.04959	10.4
83.08601	20.2
85.02896	7.8
85.06538	7.3
86.09691	5.1
91.03929	2.5
91.05006	1.1
91.05462	54.2
93.07028	74.5
94.07343	1.6
95.04972	11.1
95.08589	47.8
97.02866	5.4
97.06514	13.0
97.10153	7.8
99.08051	6.4
103.05409	1.6
105.07015	47.0
107.04940	4.2
107.07896	3.0
107.08577	40.2
107.09300	2.0
108.08926	1.4
109.02860	2.1
109.06508	6.1
109.10139	46.9
109.10865	3.0
111.08064	5.4
115.05452	1.7
117.06985	18.3
119.08568	44.2
121.06454	2.3
121.10126	27.4
123.08080	4.2
123.11707	5.1
125.00006	3.3
125.09610	10.3
127.03944	3.6
129.05473	2.8
129.07011	9.0
130.08588	1.6
131.08545	20.8
133.10107	32.4
135.08052	4.3
135.11671	26.9
137.09586	14.8
139.11166	4.0
143.08539	10.7
145.10114	24.5
147.11670	21.9
149.09651	5.3
149.13237	17.8
151.11142	7.6
155.08514	3.3
157.10123	10.8
159.11664	19.2
161.09651	2.4
161.13257	13.3
163.11157	5.3
165.12741	2.8
169.10120	3.0
171.11638	12.6
173.04346	2.4
173.11684	5.6
173.13231	9.5
175.14783	6.6
177.12770	5.0
179.10709	2.0
179.14319	1.6
181.10095	2.8
181.12209	2.3
183.11647	3.4
184.07301	16.2
185.13248	6.1
187.13268	2.1
187.14861	5.0
189.11188	2.5
193.12212	3.2
195.11697	1.5
195.13811	3.9
197.13319	1.7
199.14792	3.1
211.13071	2.9
211.14854	2.4
227.12730	6.9
229.14354	4.8
229.19527	1.7
230.24358	1.6
231.21066	2.3
233.15298	1.7
239.17894	2.2
241.19565	8.3
243.15874	7.0
243.20981	1.7
255.15883	4.8
257.19049	2.9
259.20557	22.7
261.22058	3.6
267.15854	2.3
269.17444	32.5
271.18802	6.9
275.19968	2.3
277.21652	7.0
283.15213	1.6
285.16888	6.6
287.18494	20.6
297.22055	2.0
315.23154	4.4
333.24149	22.2
334.24484	1.9
335.25620	5.2
351.25262	9.4
367.24890	3.5
395.29129	2.2
421.30838	5.9
439.26886	2.4
445.29044	2.3
447.30988	1.9
451.30283	2.4
463.30515	29.5
465.31955	5.3
469.33203	5.3
471.34637	2.0
487.34131	61.9
488.34485	2.4
489.35757	4.0
495.34494	3.9
513.35699	42.6
514.35632	1.9
519.36462	5.7
527.37262	3.5
531.36719	7.7
545.38202	51.2
546.38452	4.4
563.38739	5.1
588.45605	1.7
675.40686	2.5
689.41351	2.7
760.38690	8.4
761.40338	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.7
54.91134	0.9
55.01865	9.5
55.05502	28.2
57.03153	1.3
57.03427	20.1
57.07065	2.8
59.04982	2.1
61.02921	6.6
61.20716	1.0
65.03923	4.0
66.94043	0.9
67.05494	91.3
68.05829	1.6
69.03410	5.5
69.07053	25.9
71.01332	1.6
71.04985	7.6
71.08617	2.2
73.02898	3.1
74.09676	1.7
79.05479	65.3
80.05827	1.2
81.03407	15.3
81.07042	88.9
82.07367	1.6
83.01303	1.4
83.04971	20.8
83.08604	16.7
85.02897	11.0
85.06548	6.0
85.27193	1.1
86.09712	1.8
91.03950	2.6
91.05458	46.3
93.07028	82.9
95.04955	21.3
95.08592	61.2
96.08936	1.2
97.02869	11.2
97.06516	13.4
97.10165	5.9
98.21473	1.9
99.04447	4.6
99.08092	3.0
103.05452	1.5
105.04512	1.2
105.07017	35.8
107.04939	12.8
107.08575	45.7
108.08870	1.7
109.02863	2.4
109.06509	9.2
109.09389	1.4
109.10137	29.2
110.10491	1.1
110.29315	1.2
111.04429	17.1
111.08076	7.5
111.11662	1.2
113.05997	1.6
115.05434	1.4
117.07004	19.2
119.08567	29.0
119.25923	1.2
120.08935	1.6
121.06507	6.9
121.09236	1.8
121.10120	36.9
123.04415	2.4
123.08051	6.0
123.11665	8.7
124.99949	1.9
125.05972	1.9
125.09647	5.4
127.03926	1.6
128.06218	1.9
129.05513	1.3
129.06995	5.9
130.07808	2.0
131.04872	1.4
131.07622	2.1
131.08548	23.3
133.06445	2.3
133.10107	20.0
135.08055	5.6
135.11673	34.2
136.12086	1.0
137.09608	5.2
137.13246	2.5
139.07500	1.2
139.11125	2.9
140.87350	1.2
141.06940	1.6
143.08516	4.7
145.06442	3.8
145.10097	33.8
146.08096	1.6
147.08018	5.2
147.11655	11.4
149.09583	7.2
149.13217	10.1
151.11176	4.9
153.12714	8.8
155.08545	5.1
157.10129	4.2
158.10609	1.1
159.11653	9.9
161.09636	2.4
161.13242	6.7
163.11159	25.5
163.14792	3.5
169.10117	2.3
171.08041	1.5
171.11678	2.5
173.09601	8.6
173.11769	1.9
173.13199	9.0
175.11197	2.2
175.14795	2.0
177.12698	1.6
177.16431	1.4
181.12216	9.4
183.11707	2.4
184.07339	8.6
185.13254	3.8
187.14806	3.4
189.11176	2.8
191.10609	12.0
193.12263	1.1
195.11668	1.3
197.13249	1.4
199.14848	2.1
201.16333	1.8
209.11682	38.6
223.14906	1.2
227.12708	21.4
227.14751	1.6
227.17813	1.1
229.14345	1.8
241.14113	1.2
241.19438	1.3
243.21088	4.2
253.14371	4.1
259.20496	5.0
261.22116	17.8
265.14340	2.4
267.15787	1.4
269.17462	1.8
273.17999	1.3
273.22147	1.6
277.21753	2.4
283.15369	71.3
285.16907	2.3
299.14880	3.5
299.23566	2.0
300.15274	3.0
301.16391	44.9
301.21588	1.8
302.16571	1.5
303.23163	1.5
315.23032	1.2
317.24512	2.0
325.21451	1.2
333.24069	2.9
335.25751	100.0
336.25995	5.1
337.26337	1.1
339.23279	1.0
389.26651	1.5
415.29626	1.7
423.32468	2.1
423.53665	1.3
433.31131	5.3
451.32126	11.7
461.28638	1.7
469.33102	8.5
487.33975	2.9
489.33707	1.5
501.35510	1.1
503.37109	1.5
515.37170	2.1
525.35754	14.3
543.36725	89.3
544.37030	2.4
547.38416	1.4
561.37756	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
53.18508	0.8
55.01864	8.3
55.05502	23.0
57.03183	1.5
57.03429	13.8
57.07057	3.6
61.02908	3.2
65.03924	3.6
67.05494	78.3
68.08237	0.8
69.03415	8.2
69.07058	39.4
69.70072	1.7
69.70477	5.6
71.01334	1.1
71.04988	6.7
71.08613	1.3
73.02894	1.0
79.05482	56.3
81.03413	13.2
81.07043	100.0
82.07359	1.2
83.04967	11.8
83.08157	1.7
83.08611	21.5
85.02880	5.6
85.06523	5.0
91.05005	0.7
91.05460	42.3
93.07030	81.2
94.07368	1.4
95.04955	14.4
95.08591	36.4
97.02842	4.6
97.06515	24.0
97.10144	11.7
98.21542	1.0
99.04443	2.0
99.08067	3.5
103.05399	1.0
104.53887	0.8
105.04556	1.0
105.07019	35.1
107.04956	9.0
107.08575	52.3
109.02862	1.4
109.06505	7.1
109.10143	10.3
111.08075	10.4
111.11661	1.1
113.09631	2.0
115.05464	2.0
116.06244	0.8
117.06995	17.8
119.08559	24.7
121.06501	4.6
121.10126	24.4
123.08051	4.0
123.11661	4.2
125.09620	10.4
127.03901	3.7
128.06212	1.5
129.06982	5.8
131.08551	23.7
133.06450	1.0
133.10100	23.2
135.08057	5.0
135.11671	16.8
137.09573	2.4
139.07549	1.1
139.11087	1.3
141.06950	1.1
143.08566	4.9
145.10104	14.6
147.08035	1.1
147.11659	13.0
147.12726	1.6
149.09581	12.7
149.13243	33.8
151.11121	3.1
153.09042	1.0
155.08501	0.9
157.10088	5.0
159.10350	1.4
159.11667	23.1
161.09543	0.9
161.13243	4.9
163.11166	8.3
165.12744	1.1
169.10097	2.2
171.11700	4.1
173.04469	1.7
173.09566	1.3
173.11893	1.0
173.13173	4.7
175.11143	1.8
175.14769	1.7
177.12730	9.2
179.14326	2.6
181.12178	1.5
183.11671	2.2
184.07320	1.2
185.13181	1.2
187.11169	1.5
187.14725	1.4
189.11247	4.6
191.14273	0.9
193.10591	1.0
193.12204	4.3
195.12039	1.4
195.13789	12.8
197.13187	1.8
211.13226	3.1
213.14722	1.8
217.15950	1.1
227.12730	22.5
229.14326	1.8
229.19522	3.1
239.17924	2.0
241.19516	1.6
247.20514	2.2
255.15851	5.6
257.18967	9.4
259.20459	4.8
267.15918	2.5
269.17435	94.4
270.17780	1.4
275.20026	36.7
276.20676	1.3
285.16998	5.8
289.15155	0.9
290.68576	1.0
293.21005	3.6
315.22845	1.0
331.22629	4.1
333.24371	4.6
349.23663	32.7
365.23242	2.2
367.24609	2.4
413.21329	1.7
423.27136	3.7
439.27066	6.2
445.29272	1.4
447.31012	3.7
449.28992	21.2
451.32080	1.1
463.30502	84.2
464.30716	2.8
479.30194	1.3
503.33444	1.4
515.37299	1.5
517.35120	1.7
525.35608	7.3
543.36713	78.2
544.36975	3.2
561.37775	10.4
583.30560	2.1
607.34479	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01867	6.4
55.05500	19.2
56.61307	0.6
57.03428	14.3
57.07065	1.8
58.26439	0.6
60.01731	0.6
60.69006	0.6
60.94500	0.6
61.02914	3.7
65.03941	1.8
65.42767	0.6
67.05494	70.2
69.03424	4.1
69.07058	31.0
71.04977	6.3
71.08615	1.2
73.02914	1.2
77.03933	0.7
79.05481	49.3
81.03414	10.0
81.07043	91.6
82.07372	1.1
83.04967	10.6
83.08603	19.7
83.09064	1.4
85.02903	5.7
85.06521	5.4
86.09678	1.1
91.03945	1.6
91.05466	37.0
93.07030	64.7
94.07404	0.9
95.04955	11.2
95.08591	31.1
97.02879	3.3
97.06511	17.7
97.10149	9.4
99.04430	1.3
99.08069	3.8
105.07018	23.4
107.04945	6.2
107.08575	43.7
109.02852	1.0
109.06504	5.4
109.10143	9.2
111.04440	1.1
111.08070	7.4
111.11687	1.0
113.06015	1.4
113.09599	1.4
115.05445	1.5
117.07003	15.6
117.07788	1.2
118.79034	0.7
119.08565	14.5
121.06482	4.0
121.10123	20.6
123.08066	3.0
123.11696	6.3
125.00018	1.1
125.09601	5.6
127.03901	2.7
129.05478	1.4
129.06993	3.0
130.07776	1.0
131.08553	17.8
133.06436	0.9
133.10101	21.2
135.08032	5.2
135.11674	16.0
137.09615	2.6
139.11198	0.7
141.06992	1.1
143.08559	2.5
144.09378	0.8
145.06477	0.8
145.10114	9.0
147.08046	1.2
147.11661	7.7
149.09592	10.7
149.10641	1.0
149.13242	26.8
149.14436	1.3
151.11189	2.6
153.09122	1.0
155.08591	1.4
157.10144	3.0
159.11662	19.7
159.12929	1.1
161.09639	1.0
161.13249	3.0
163.11151	4.6
165.09082	1.0
165.12746	0.9
167.14293	0.8
169.10117	1.4
171.11690	2.6
173.04521	2.4
173.13271	3.1
175.11195	1.8
177.12712	7.1
179.14319	1.8
183.11674	1.3
184.07370	4.1
185.13280	1.0
187.11227	1.1
189.11223	3.9
193.12292	1.0
195.11966	0.6
195.13774	13.5
197.13283	1.2
199.14771	0.8
205.12195	0.7
211.13240	0.8
213.14775	1.6
227.12753	12.4
229.14371	1.5
229.19542	1.0
233.15417	1.2
239.17976	1.9
247.20468	0.8
251.16383	1.4
253.14351	3.4
255.15897	6.9
257.19003	6.0
259.20587	0.9
267.15924	2.7
269.17435	86.8
270.17783	1.0
275.20010	23.5
277.21344	0.8
285.16974	1.4
291.19614	0.7
293.17816	1.0
293.21234	2.9
331.22766	2.3
333.24011	0.7
339.17969	0.9
349.23669	23.8
365.23312	1.8
367.24771	2.0
372.88193	0.7
385.39136	0.7
413.21579	1.4
423.27417	2.3
433.31061	0.9
439.26733	3.8
445.29550	1.9
447.31021	1.4
449.24213	0.7
449.28940	25.3
463.30478	100.0
464.30841	1.8
503.33469	1.6
515.37213	1.3
525.35602	2.3
543.36731	48.3
544.37268	1.8
561.37915	10.7
607.34839	3.1
759.39410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
55.01867	0.1
55.05502	0.2
57.03429	1.0
61.02913	0.1
65.03917	0.7
67.05486	0.2
67.30274	0.1
68.63104	0.1
68.99780	0.5
69.03418	0.3
70.06570	0.3
71.04985	7.8
73.02898	0.2
75.04461	0.3
81.03402	0.5
81.07057	0.2
83.04977	0.6
84.50380	0.1
85.02895	8.0
87.04460	0.2
89.03869	0.1
91.05470	5.5
92.05795	0.1
93.03407	0.2
93.07059	0.1
95.04961	0.2
95.08537	0.1
97.02876	0.4
99.04430	0.2
105.07044	0.3
106.23167	0.1
107.04948	0.4
107.08566	0.2
109.02864	0.6
111.00795	0.7
111.04411	0.4
117.03398	0.2
119.04931	13.5
120.05278	0.1
121.02848	0.9
121.10120	0.1
123.04420	0.3
127.03895	0.4
129.05470	2.0
130.08630	0.2
131.04854	0.2
131.08499	0.1
133.02840	0.1
133.10158	0.1
135.04391	0.2
137.02325	2.5
137.05984	0.4
144.05768	0.1
145.02785	0.2
145.06476	0.2
147.04390	56.8
148.04726	0.8
149.02354	0.4
149.39731	0.1
153.01799	2.8
155.04883	0.1
159.08000	0.1
161.05977	0.3
163.03897	0.7
163.07475	0.2
165.01810	1.6
165.05473	0.8
166.02646	0.2
167.07072	0.2
173.05934	0.5
175.03909	0.2
177.05453	0.5
183.02882	0.6
183.04358	0.2
185.05923	0.2
187.03934	0.2
187.07510	0.2
191.03372	0.1
195.02887	0.2
201.05423	1.4
203.07060	0.3
205.05072	0.2
207.06505	0.3
211.03903	0.1
213.05521	0.2
219.06610	0.2
229.04955	3.5
229.08505	0.1
230.30565	0.2
231.06506	0.4
247.05946	0.6
257.04388	2.4
273.03888	0.1
273.07388	0.2
274.04684	0.7
275.05319	0.2
275.09024	0.2
285.03995	1.1
287.05539	0.2
291.08615	1.4
292.18887	0.2
293.10223	0.5
301.03497	0.3
302.04031	0.1
303.04953	100.0
304.05292	2.6
309.09656	1.7
381.18164	0.1
421.09283	0.1
449.10251	0.2
593.12756	0.4
611.13727	0.4
684.13818	0.1
711.09186	0.1
756.40057	0.1
757.40784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1962
Annotation	Quercetin 3- (6'''-p-coumarylglucosyl) (1->2) -rhamnoside
Peak:m/z	Relative Intensity
53.03925	0.1
55.01865	0.2
55.05492	0.2
57.03428	1.1
59.04977	0.1
61.02919	0.1
63.02351	0.1
65.03920	0.7
67.05495	0.1
68.99786	0.3
69.03407	0.3
69.77218	0.6
70.06567	0.2
71.01349	0.1
71.04980	7.2
73.02895	0.3
73.60887	0.1
75.04459	0.4
79.05482	0.1
81.03405	0.5
81.07022	0.1
83.04969	0.5
85.02891	8.1
87.04452	0.2
91.05465	4.0
93.03403	0.3
93.07029	0.1
95.04952	0.4
95.08603	0.1
97.02883	0.6
99.04435	0.2
103.05446	0.1
105.07033	0.1
107.04947	0.2
109.02847	0.5
109.10122	0.1
111.00778	0.8
111.04427	0.4
119.04923	11.7
120.05247	0.2
121.02839	0.8
123.04413	0.3
127.03913	0.6
129.05469	2.1
129.06979	0.1
131.04857	0.1
135.04396	0.2
135.11749	0.1
137.02312	2.3
137.05922	0.2
145.02844	0.2
145.06540	0.2
145.10120	0.1
147.04384	57.5
148.04730	0.8
149.02332	0.3
149.05957	0.1
151.03961	0.1
153.01793	3.1
155.04842	0.1
161.05937	0.3
163.03932	0.7
165.01801	1.6
165.05464	2.2
166.02623	0.3
167.07034	0.1
173.05960	0.4
175.03851	0.2
177.05464	0.4
183.02855	0.8
183.04359	0.2
185.05954	0.1
187.03949	0.2
187.07524	0.2
191.03281	0.1
191.06935	0.1
195.02805	0.3
201.05447	1.5
202.05873	0.1
205.04987	0.2
207.02917	0.1
207.06459	0.3
211.03928	0.1
213.05487	0.2
219.02861	0.2
219.06514	0.3
228.04166	0.1
229.04933	3.2
229.08418	0.1
231.06476	0.4
239.03441	0.1
247.05890	0.7
257.04410	2.5
273.07373	0.2
274.04712	0.7
275.05450	0.2
275.08917	0.2
285.03903	1.2
287.05417	0.1
291.08640	0.9
293.10062	0.4
297.03683	0.1
297.07254	0.1
303.04938	100.0
304.05304	2.1
309.09656	2.2
309.12973	0.2
327.62451	0.1
449.10599	0.2
593.12976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01865	4.8
55.05500	17.2
55.05754	0.6
57.03428	9.0
57.07029	1.5
59.04955	0.6
61.02874	1.6
65.03889	1.4
66.54633	0.5
67.05492	40.0
67.05824	1.3
69.03417	7.1
69.07056	28.4
69.83757	2.8
71.04985	2.5
71.08595	0.6
73.02887	1.0
79.05479	28.3
80.05791	0.5
81.03409	6.4
81.07041	46.9
82.07330	0.6
83.04500	0.5
83.04964	6.4
83.08602	12.1
85.02896	2.2
85.06543	2.8
85.32314	0.4
86.09634	0.6
91.03923	0.7
91.05462	18.3
92.05740	0.5
93.07027	35.7
94.07340	0.7
95.04950	8.1
95.08588	16.2
97.02312	0.6
97.02876	6.9
97.06520	7.7
97.09557	0.7
97.10143	9.6
99.04410	0.7
99.08043	2.0
105.04461	0.6
105.07012	12.8
107.04945	5.2
107.08571	21.7
109.06494	4.0
109.10137	6.2
111.04420	1.0
111.07430	0.4
111.08051	3.9
113.09557	0.5
115.05406	1.1
117.06996	9.1
117.55135	0.4
119.04899	1.2
119.08557	9.7
121.06504	3.4
121.10125	11.4
123.08023	2.6
123.11656	1.4
125.09591	7.0
125.81665	0.5
127.07536	0.6
128.06140	0.7
129.07019	2.7
131.07634	0.8
131.08540	11.0
133.06441	2.7
133.09171	0.6
133.10103	8.7
134.07243	0.7
135.08032	3.7
135.11673	5.9
137.09544	2.0
139.11147	0.7
143.08525	2.8
145.06439	0.7
145.10078	4.9
146.10510	0.5
147.08005	4.1
147.11681	3.4
149.09557	1.7
149.13229	16.9
151.11163	1.1
153.09042	0.7
157.10069	1.7
159.08076	0.5
159.11682	8.1
160.09633	0.7
161.09554	1.8
162.10384	0.8
163.11121	2.0
165.09032	1.2
165.12723	0.5
167.14258	0.5
169.10133	0.7
169.12137	0.6
171.11606	1.1
173.09462	0.6
173.13177	1.0
175.11153	1.8
177.12740	4.9
181.10020	0.7
181.12022	0.5
183.11684	0.4
184.07367	1.1
185.13228	0.9
185.52084	0.5
187.14830	0.7
189.11150	2.8
189.12698	0.8
193.12178	1.5
195.13754	5.8
201.19756	0.5
205.12228	1.3
213.14806	1.1
223.13251	11.9
227.12730	5.0
233.15414	0.6
245.18951	1.4
247.30798	0.5
249.14767	2.7
251.00461	0.5
251.16463	0.8
253.14249	0.9
263.20050	0.5
267.15790	2.8
269.17429	62.0
270.17728	2.4
273.18420	10.7
274.18973	0.5
275.20026	1.7
277.21841	0.8
283.15314	1.0
291.19489	75.6
292.19894	3.0
297.16965	0.5
309.20508	0.7
347.22247	2.4
365.23172	30.9
366.23434	1.8
377.26730	0.8
439.26849	1.9
461.28873	3.1
479.30154	2.8
485.32321	0.6
541.35052	4.5
559.36206	100.0
560.36584	8.6
577.37183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.1
53.03929	2.7
53.48298	0.8
55.01854	3.6
55.05501	20.3
56.38233	0.7
57.03156	0.9
57.03425	13.5
57.07051	2.5
58.61481	0.8
59.04974	2.5
60.08146	1.7
61.02901	4.1
63.28400	1.0
65.03922	3.3
67.05494	51.6
69.03413	2.4
69.07059	12.2
69.80340	3.3
69.80771	4.2
71.04977	3.8
71.08617	1.1
79.05014	1.5
79.05480	33.9
81.03397	7.8
81.07042	54.7
82.07381	1.0
83.04977	6.8
83.08611	14.6
85.02891	6.4
85.06535	2.6
86.09683	9.7
91.03923	1.1
91.05461	33.1
92.05762	1.2
93.07029	45.1
95.04943	7.8
95.07989	1.9
95.08591	35.0
97.02873	5.4
97.06518	3.5
97.10150	3.4
98.20655	1.0
98.98415	1.0
99.00793	12.6
99.04424	1.4
99.08070	1.8
99.34679	0.9
103.05458	1.1
105.07020	23.8
107.04932	6.3
107.07899	2.0
107.08579	25.6
109.02856	8.7
109.06526	4.3
109.10142	20.4
111.04413	2.5
111.08085	4.7
113.05939	1.4
115.03925	2.3
115.05449	1.1
117.07008	7.6
119.08557	15.7
121.06506	5.1
121.10121	17.5
123.04408	2.0
123.08058	3.5
123.11678	7.3
124.99977	6.9
125.09609	1.4
127.03851	2.7
128.06175	1.4
129.06993	3.2
131.08546	11.4
133.06464	1.8
133.10106	40.5
135.08060	1.5
135.11678	10.7
137.06000	1.2
137.13203	1.4
139.07513	2.5
143.08571	4.8
145.06473	1.6
145.10112	7.2
147.04474	1.2
147.08025	1.8
147.11679	6.0
149.09601	2.8
149.13237	8.9
151.11166	11.7
159.11690	4.5
161.09608	16.8
161.13228	4.0
163.11172	1.6
163.14812	3.2
169.12115	0.9
171.08003	3.8
171.11630	1.2
173.13257	4.2
175.14803	1.2
179.10677	6.9
183.11763	0.9
184.07312	33.6
187.14775	1.9
189.09102	8.0
193.12228	1.5
197.11725	2.6
201.16226	1.5
207.10085	3.1
211.13257	1.8
225.11179	10.7
233.22618	1.2
243.12219	3.1
243.21077	6.1
261.22098	20.3
267.15857	2.8
269.17404	1.8
275.19992	2.0
277.21555	1.6
279.22955	1.3
281.13788	6.6
283.15390	1.2
285.16901	3.0
285.66763	0.9
291.23242	1.0
299.14847	84.5
300.15109	2.2
315.23218	2.8
317.24652	2.8
333.24203	2.2
335.25742	100.0
336.26050	3.7
394.98059	1.1
439.31635	1.2
449.30142	0.9
467.31628	4.5
479.29752	2.8
485.32556	3.5
509.51196	0.9
513.35553	2.5
515.37018	1.4
518.07086	1.0
523.34277	0.9
531.36359	2.7
541.35144	11.3
545.37982	5.4
559.36230	55.5
560.36707	2.1
577.37341	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	756.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	2.1
53.03926	2.5
55.01864	3.7
55.05503	16.4
57.03428	11.9
57.07056	2.0
59.04973	1.7
60.08149	1.1
61.02922	4.2
63.82090	0.6
65.03911	2.2
66.13137	0.6
67.05492	46.5
69.03397	2.7
69.06729	1.0
69.07057	11.8
71.01319	1.1
71.04977	2.5
73.02898	1.8
79.05013	1.2
79.05480	27.2
81.03400	5.9
81.07043	51.6
83.04964	4.8
83.08602	12.6
85.02885	3.7
85.06544	3.5
86.09225	0.9
86.09695	10.2
88.27569	0.6
91.03937	2.0
91.05464	26.9
93.07027	40.1
95.04950	6.8
95.08591	31.1
97.02877	5.9
97.06516	4.7
97.10154	2.5
98.98411	1.0
99.00796	11.3
99.04424	1.5
99.08052	1.2
103.05421	1.7
105.07011	22.6
107.04938	5.7
107.08576	22.0
109.02850	8.6
109.06492	4.1
109.10133	18.1
111.04430	1.7
111.08054	3.9
115.03909	1.9
115.05467	0.9
117.06994	7.1
119.04968	1.0
119.08561	15.4
121.06503	5.5
121.10128	16.4
123.04421	1.5
123.08039	1.9
123.11701	6.7
124.99974	5.8
125.09592	1.0
127.03894	3.3
128.06190	1.8
129.05487	0.7
129.06989	2.6
131.08557	10.0
133.06438	1.4
133.10104	37.3
135.08023	1.8
135.11662	10.1
137.05977	1.2
137.09625	1.2
137.13200	1.4
139.07462	1.9
143.08559	4.8
145.06485	1.0
145.10095	5.7
147.04326	0.9
147.08035	2.0
147.11662	5.6
149.09573	2.3
149.13217	4.8
151.11150	12.4
153.06871	0.7
157.10075	1.7
159.11696	5.6
161.09599	14.5
161.13216	3.7
163.11221	1.1
163.14809	2.6
165.09097	0.8
171.06708	0.9
171.07968	3.7
171.11615	1.5
173.13260	3.4
175.14734	1.5
179.10645	9.0
184.07315	30.2
187.14810	1.6
189.09079	8.6
191.14314	0.8
193.12177	1.7
197.11691	3.2
201.16362	0.8
207.10110	2.7
211.13216	1.4
225.11194	10.3
227.12723	1.1
243.12215	3.1
243.21158	4.8
259.20435	0.9
261.22098	20.1
267.15918	2.1
275.20132	1.6
277.21698	1.4
281.13794	6.4
285.17059	1.9
297.96475	0.7
298.00116	1.0
299.14847	80.2
300.15067	1.4
315.23166	2.2
317.24615	3.6
333.24335	1.1
335.25748	100.0
336.25970	2.4
353.26340	0.7
421.31107	0.9
439.31949	1.2
449.30466	2.2
467.31644	4.9
479.30020	2.4
485.32574	2.6
513.35706	3.1
515.37134	1.5
523.34058	1.2
527.37231	1.0
531.36725	3.1
541.35077	12.7
545.38171	1.8
559.36224	50.7
560.36188	1.3
577.36963	2.0
638.91559	0.8
756.55725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01873	2.5
55.05506	10.8
57.03431	6.5
59.04964	0.8
67.05498	15.0
69.03414	2.4
69.07044	3.9
71.04973	3.0
71.74909	0.4
79.05482	15.3
81.03406	39.0
81.07043	14.9
82.03738	0.6
83.04971	3.4
83.08606	11.5
85.02898	0.8
85.06514	1.4
91.05468	12.8
93.07037	12.3
93.07627	0.4
95.04956	16.4
95.08592	7.2
97.02879	0.9
97.06525	2.6
97.09580	0.9
97.10156	11.7
98.20612	0.7
103.05438	0.5
105.07011	8.9
107.04941	11.9
107.08582	8.7
109.06496	7.0
109.10132	4.3
109.72117	0.5
111.04395	1.1
111.08064	4.1
113.05946	0.7
115.05419	1.5
117.07007	3.5
119.04912	0.7
119.08562	8.6
121.06482	7.9
121.10126	6.8
123.04394	1.4
123.08069	3.3
123.11686	1.0
125.09606	9.9
129.07002	6.5
131.04897	1.7
131.08554	8.0
133.06461	3.7
133.10092	3.9
135.04370	0.8
135.08008	4.0
135.11653	1.5
137.05910	0.6
137.09584	0.9
139.11171	0.7
141.06955	1.5
142.07646	1.0
143.08553	3.0
143.10605	0.5
145.06450	4.9
145.10068	3.4
147.04417	0.7
147.08011	3.2
147.11673	5.3
149.09621	4.1
153.09094	2.6
153.12709	1.0
155.08517	1.3
157.06490	1.3
157.10110	5.6
159.08008	1.9
159.11658	1.5
161.06012	1.1
161.09567	1.6
163.11122	2.6
165.12741	1.3
167.08557	0.8
167.10631	1.0
169.10100	1.1
171.08017	1.4
171.10208	0.7
171.11668	1.8
173.09592	1.5
173.13261	1.4
175.07474	0.7
175.11148	6.3
177.12711	1.3
181.10100	1.0
183.08022	0.7
183.11562	0.5
185.09555	1.0
185.13333	1.2
187.11203	1.6
187.14786	0.9
189.09328	1.0
189.11214	6.7
189.12762	0.9
191.14311	0.8
193.12204	14.2
195.11697	1.7
197.09616	0.8
197.13254	1.5
199.11169	1.6
199.13246	1.2
205.12219	1.3
209.13164	0.8
211.11327	0.6
211.13255	1.4
213.12784	1.1
215.14363	2.3
217.12221	1.8
219.13715	2.5
223.11269	0.5
223.13234	1.5
225.12691	1.0
227.12715	2.0
231.13734	1.2
233.15259	2.9
235.13226	1.5
237.12743	1.1
237.14832	0.6
241.14291	0.6
243.13853	0.6
245.15382	1.1
249.14865	1.4
255.13817	1.7
259.13171	0.8
267.15881	36.1
268.16043	1.2
271.16824	0.5
273.14648	5.9
275.16415	0.7
281.15305	0.5
283.16910	0.6
287.16150	0.7
293.17560	0.8
339.23096	2.3
349.21603	4.4
357.24274	2.2
367.22617	13.4
376.00946	0.5
385.23676	19.1
386.23593	0.6
397.21951	0.6
403.24805	7.0
423.25082	0.7
441.26364	9.4
453.48401	0.5
459.27362	100.0
460.27722	6.0
477.28424	97.7
478.28735	5.0
491.29980	14.7
492.29965	0.7
497.77432	0.6
501.28384	2.3
509.31042	5.7
513.28149	0.6
519.29578	1.0
531.29669	0.7
541.33508	0.9
555.29340	0.6
567.29388	1.8
603.31226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01856	4.3
55.05500	24.0
57.03433	12.2
57.07055	3.3
58.68032	1.2
61.02891	1.6
65.03924	3.7
67.05493	72.6
68.05810	1.4
69.03403	1.8
69.07058	19.3
69.54861	9.0
69.55288	3.6
71.04980	5.4
71.08596	1.5
72.84441	1.2
73.06541	2.5
76.49137	1.4
77.03887	1.4
79.05480	96.9
81.03407	10.2
81.07043	74.6
82.07353	1.7
83.04964	12.0
83.08611	11.6
85.02895	2.6
85.06541	3.4
91.05466	97.0
92.05801	1.3
93.07028	100.0
94.07362	2.4
95.04955	27.4
95.08590	49.1
97.02866	2.0
97.06537	5.9
97.10155	7.1
99.08049	2.8
103.05447	1.9
105.04501	2.1
105.07014	87.9
106.07342	1.8
107.04939	9.4
107.08572	36.7
109.06532	7.7
109.10144	12.1
111.08070	4.5
113.09566	1.5
115.05444	2.4
117.07001	23.8
119.08559	67.7
120.08901	3.0
121.06509	5.0
121.10128	21.8
123.08086	7.6
123.11730	3.0
125.09590	2.0
128.06165	5.8
129.05435	1.8
129.06979	24.0
130.07773	2.7
131.08543	25.6
131.09435	2.3
133.06436	1.8
133.10107	47.3
135.08052	2.8
135.11678	16.4
137.09572	3.2
141.06984	1.2
142.07730	2.7
143.08537	18.1
145.06557	1.4
145.10094	26.1
147.08011	4.3
147.11658	72.8
149.09564	2.8
149.13231	8.3
155.08501	2.5
157.10097	11.2
159.11661	17.5
160.09691	1.8
161.08377	1.3
161.09593	5.5
161.13237	37.4
163.11136	4.6
163.14816	3.0
165.12709	1.5
167.08601	1.4
169.10106	3.7
171.11668	37.1
173.13255	13.7
175.11156	1.5
175.14815	14.9
177.12720	2.9
181.10081	2.1
183.11597	3.6
185.13216	9.7
187.11180	2.9
187.14761	4.6
189.12715	12.5
195.13785	2.0
197.13274	1.6
199.14822	6.0
201.16341	1.5
207.11867	0.8
207.13770	22.2
209.13364	1.8
211.14799	1.9
213.16380	3.3
215.17871	1.5
217.19638	1.3
223.13141	1.6
231.21062	5.6
241.14311	2.9
241.19476	32.6
243.21184	1.5
250.46542	1.2
257.19012	4.3
259.20544	69.6
260.20923	1.8
261.22104	3.3
275.19965	1.4
279.15866	23.7
281.17426	77.3
282.17737	1.5
283.18896	1.4
285.18280	1.7
297.16895	1.8
315.23199	7.9
331.22614	1.7
333.20163	2.8
333.24176	54.2
334.24442	1.5
339.23071	1.7
429.31235	1.8
447.32532	9.0
465.33511	8.2
483.34540	4.0
521.36078	4.9
539.37262	92.2
540.37494	8.5
557.38422	31.3
586.79700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.477
Annotation	Spergulacin A
Peak:m/z	Relative Intensity
53.00293	0.4
53.03932	0.8
55.01855	1.1
55.05504	3.6
57.03148	0.5
57.03430	10.1
57.07064	0.9
59.04980	1.0
61.02925	0.8
65.03927	0.5
67.05201	0.4
67.05501	3.4
69.03417	13.3
69.07052	2.5
69.67875	3.3
71.01333	1.3
71.04979	63.5
72.05315	0.9
72.17950	0.3
73.02903	6.5
73.06549	0.5
75.04469	3.6
79.05483	3.6
81.03400	1.7
81.07046	6.5
83.04964	7.7
83.05455	0.4
83.08611	2.0
85.02890	100.0
85.06535	1.7
86.03215	0.7
87.04473	2.2
91.05463	3.2
93.07022	6.4
95.04961	2.1
95.08591	9.6
97.02876	13.2
97.06504	1.3
97.10150	2.6
99.04434	8.1
99.08073	2.8
101.06023	0.7
103.05528	0.4
105.07008	5.1
107.04951	0.8
107.08572	15.0
109.02870	0.8
109.06479	1.1
109.10132	7.8
111.04417	4.9
111.08075	0.8
113.05993	0.8
115.03909	8.6
117.05473	4.8
117.06982	0.6
119.08554	5.8
121.06490	0.4
121.10127	11.6
123.04395	0.8
123.08070	0.6
123.11693	4.2
125.06039	0.8
125.09608	10.4
127.03889	2.6
127.07565	0.8
127.11185	1.5
129.05455	21.3
129.80461	0.4
130.19547	0.4
131.08534	3.1
133.04962	0.7
133.10120	4.8
135.08020	3.7
135.11665	6.6
137.05989	0.7
137.09573	2.0
137.13239	1.1
139.03896	2.1
139.11169	0.9
143.03459	0.4
143.08585	0.8
143.10654	13.3
145.04930	3.2
145.10089	4.9
147.06488	8.5
147.07594	0.5
147.11652	3.9
149.09596	7.9
149.13234	3.1
151.03891	0.4
151.11203	1.2
153.05464	0.5
153.12772	0.5
157.04976	0.9
157.10155	1.6
159.11650	3.8
161.09601	0.5
161.13243	3.4
163.06052	2.2
163.11162	0.8
163.14735	1.8
169.04961	0.6
171.06531	1.6
171.11702	1.7
171.13037	0.4
173.13249	1.7
175.06036	0.5
175.11314	0.4
175.14812	2.3
177.05463	0.6
177.16403	1.1
179.14325	0.7
183.11592	0.5
185.13255	1.3
187.14789	3.6
187.16135	0.4
189.16357	2.6
191.14326	0.8
191.17912	20.1
192.18356	0.5
193.15924	0.6
195.06537	0.7
199.14833	1.3
201.16313	3.7
203.14191	0.6
203.17863	2.9
205.15860	0.7
207.17503	0.4
209.15395	0.8
211.14774	0.4
213.16260	1.9
215.14526	0.4
215.17982	1.3
217.15842	3.1
217.19458	1.8
219.17453	0.5
225.07544	3.7
225.16504	0.4
227.18021	0.8
229.15886	0.6
229.19528	0.6
231.17410	3.4
231.21089	0.5
233.15364	1.4
233.19054	1.0
235.16891	2.1
243.08607	3.2
243.17409	0.6
249.18407	2.0
255.21092	0.9
257.22626	1.5
259.20670	0.5
261.09680	2.8
269.22681	0.9
271.24121	0.4
278.42764	0.4
279.10840	1.6
283.20303	0.4
285.22235	0.6
299.23535	0.4
315.26782	0.6
323.27649	0.6
335.27316	1.0
341.28503	1.3
349.29150	0.4
351.30511	0.6
359.29800	0.4
397.35165	0.5
403.33386	0.7
421.34604	14.2
422.34958	0.6
439.35645	35.2
440.35913	1.4
457.36752	8.7
553.38129	0.4
571.39734	0.5
589.40918	1.1
589.71667	0.5
717.45734	4.3
735.46643	50.1
736.46552	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01872	4.8
55.05504	32.3
57.03432	17.2
57.07071	4.6
57.11644	0.8
59.04993	1.4
60.08157	2.1
61.02908	6.6
65.03928	5.3
67.05496	93.6
68.05809	1.2
69.03412	9.6
69.07062	21.6
69.59103	1.6
69.59516	7.4
71.04976	4.0
71.08624	1.7
73.02905	2.4
74.09704	1.8
74.19554	0.9
77.03924	1.1
79.05012	2.1
79.05485	59.3
81.03410	14.4
81.07047	75.2
83.04973	8.2
83.08614	15.8
85.02896	10.5
85.06536	4.4
86.09694	8.7
87.04500	1.4
91.03945	3.0
91.05469	36.4
91.76464	1.0
93.07033	63.6
95.04954	26.1
95.08595	51.0
96.08913	1.0
97.02885	4.3
97.06525	7.0
97.10149	16.0
98.20717	2.2
99.04410	1.4
99.08094	1.6
103.05476	1.3
105.04528	1.2
105.07015	26.5
107.04972	8.5
107.08577	38.1
109.06509	6.1
109.10145	38.7
109.26551	1.0
111.04424	1.5
111.08070	4.7
115.05452	1.9
117.07002	17.5
119.08566	17.2
121.06496	6.0
121.10132	23.2
121.10964	1.6
121.17159	0.9
123.04409	1.2
123.08083	4.3
123.11682	6.4
124.99995	6.0
125.09605	13.3
129.06982	3.5
131.08549	18.8
133.06493	1.3
133.10120	15.6
135.08052	4.1
135.11668	16.0
137.09599	3.3
137.13225	1.3
139.11090	1.2
140.44469	0.9
141.06960	2.3
143.08545	4.7
145.06396	1.8
145.10110	12.5
147.08083	1.2
147.11670	7.9
149.09592	2.0
149.13235	9.3
151.11119	1.1
153.09114	1.4
155.08585	1.2
157.10129	3.5
159.07985	1.6
159.11673	13.0
161.09613	2.4
161.13246	6.0
163.11131	1.2
163.14821	3.1
169.10133	5.6
171.10236	1.7
171.11688	2.8
173.11739	4.5
173.13261	6.2
175.11209	1.3
175.14813	2.1
177.12703	4.4
177.16365	1.5
179.14360	0.9
183.11647	1.2
184.07329	32.8
185.13272	2.1
187.11192	3.8
187.14812	4.7
189.09648	1.6
189.11205	11.5
193.12161	1.5
195.11772	0.9
197.13257	1.4
199.14813	1.7
201.16437	1.1
205.12238	4.2
211.14978	1.3
213.14832	2.3
223.13258	53.7
227.12759	10.2
229.14313	10.3
243.21016	4.8
259.20508	1.5
261.22098	17.1
277.21600	0.9
279.15894	2.6
297.16940	98.9
298.17383	1.4
313.27536	1.7
315.23248	1.5
317.24850	3.6
329.24643	4.0
333.24240	2.0
335.25775	100.0
336.26218	3.5
403.28366	1.4
447.32846	2.1
465.33597	1.9
467.37460	1.0
483.34390	2.2
489.35757	20.2
507.40030	1.1
521.50287	1.1
529.39551	1.4
539.37311	7.0
555.01019	1.1
557.38306	81.1
558.38477	2.6
575.39319	3.1
613.47620	1.9
650.43433	2.8
754.49805	1.5
755.42969	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	753.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.12242	0.3
55.01859	0.7
55.05502	3.7
57.03424	10.4
57.07065	1.1
59.04977	1.1
61.02912	1.0
65.03907	0.5
67.05491	4.2
69.03414	12.5
69.07058	3.7
70.03773	0.4
70.85387	1.3
71.01350	2.3
71.04977	65.7
72.05322	0.7
73.02897	7.5
73.06550	0.5
75.04468	3.6
79.05470	4.0
81.03408	2.0
81.07038	9.4
82.07362	0.5
83.04965	8.2
83.08594	2.9
85.02887	100.0
85.06528	1.7
86.03241	1.6
87.04453	3.2
89.05981	0.5
91.05459	4.1
93.07028	8.3
95.04958	2.3
95.08582	9.7
97.02868	12.9
97.06551	1.7
97.10136	2.5
99.04431	8.7
99.08072	3.3
101.05998	0.9
103.03929	0.5
103.05447	0.4
105.07011	6.6
107.04917	0.8
107.08570	16.4
109.02866	1.6
109.06517	1.6
109.10133	8.5
110.10477	0.4
111.04426	6.1
111.08057	0.7
113.02350	0.5
113.06009	0.6
114.09162	0.5
115.03912	7.8
116.17841	0.4
116.61449	0.5
117.05467	3.8
117.06982	0.7
119.04948	1.0
119.08553	6.1
121.06481	1.2
121.09255	0.6
121.10120	11.2
123.04450	0.5
123.08067	1.0
123.11674	4.4
125.06027	0.9
125.09602	10.8
125.10468	0.7
127.03890	3.2
127.07549	1.2
127.11208	1.5
128.06206	0.4
129.05447	25.1
130.05800	0.5
130.08684	0.4
131.04915	0.5
131.08517	3.1
133.04950	1.3
133.06525	0.4
133.10101	6.4
134.10518	0.5
135.04405	0.7
135.08031	4.1
135.11664	7.7
136.06186	0.9
137.05980	1.3
137.09601	2.0
137.13231	1.3
139.03845	2.3
139.11143	1.0
142.07797	0.5
143.08652	0.8
143.10645	15.1
145.04906	1.9
145.10103	6.3
147.04434	0.7
147.06488	7.1
147.07689	0.6
147.08133	0.5
147.11653	4.6
149.06010	0.7
149.09578	8.0
149.13214	3.6
151.03923	0.5
151.07481	0.6
151.11180	1.5
153.05504	0.6
153.09181	0.4
153.12741	0.4
157.04965	1.4
157.10103	2.3
158.58269	0.4
159.11667	5.5
161.13237	4.0
163.06053	1.9
163.07404	0.4
163.11189	1.2
163.14771	2.1
167.07100	0.5
167.10655	0.6
167.14241	0.4
171.06488	1.2
171.11633	1.9
173.09618	0.5
173.13202	2.9
175.11163	0.7
175.14761	1.9
177.05489	0.8
177.16362	1.1
179.14297	0.5
183.06514	0.4
185.13283	1.5
187.11032	0.4
187.14786	3.7
189.12842	0.4
189.16336	3.3
189.17766	0.4
191.14317	1.4
191.17906	21.9
192.18263	0.8
195.11758	0.6
199.14854	1.4
201.16362	3.2
203.17935	3.1
205.15886	0.9
207.06427	0.9
207.17471	1.2
209.15289	1.9
211.14809	0.6
213.16449	2.1
215.17990	1.8
217.15843	3.7
217.19377	1.9
219.10181	0.8
219.17445	0.6
225.07570	3.5
225.16432	0.7
227.18005	0.8
229.19537	0.8
231.17442	3.4
231.21072	0.6
233.15364	1.9
233.18976	1.0
235.16844	2.0
241.19530	0.6
243.08513	2.9
243.21214	0.6
245.18927	0.5
249.18439	2.6
255.21091	0.7
257.22736	1.7
259.20505	0.4
261.09756	2.2
269.22748	0.5
279.10785	1.8
299.23804	0.5
315.26901	0.5
335.27563	0.7
341.28406	1.5
351.26608	0.5
351.30466	0.7
353.28510	0.6
355.10684	0.4
403.33716	0.8
421.34561	16.4
422.34970	0.9
439.35645	37.3
440.35931	1.7
455.35034	0.7
456.35696	1.1
457.36682	9.3
473.36301	1.2
474.36639	1.3
475.37131	1.8
571.39789	0.9
589.40863	2.9
647.41754	0.6
717.45514	3.5
735.46619	53.3
736.47296	3.3
753.46747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4765
Annotation	Spergulacin A
Peak:m/z	Relative Intensity
53.03942	1.2
55.01861	2.0
55.05502	6.7
57.03431	13.1
57.07073	1.7
59.04989	1.4
61.02906	2.0
61.64448	0.6
62.33824	0.7
65.03927	1.0
67.05494	11.9
67.09143	0.8
69.03420	13.6
69.07054	6.1
71.01343	2.0
71.04981	70.8
71.79170	0.9
72.05297	0.8
73.02905	9.8
73.06543	0.7
75.04469	6.1
79.05470	6.9
81.03410	5.6
81.07044	17.8
83.04964	10.9
83.08594	5.2
85.02892	100.0
85.06532	2.5
86.06046	0.8
87.04457	2.9
91.05467	10.3
93.07030	15.7
95.04953	4.5
95.08591	18.5
96.08949	1.1
97.02878	15.2
97.06523	2.9
97.10167	3.1
99.04442	6.8
99.08090	6.1
103.03951	0.9
105.07015	11.8
107.04917	4.0
107.08578	31.6
109.02828	1.2
109.06524	3.4
109.10136	16.5
111.04433	6.0
111.08099	1.0
115.03910	7.7
117.04778	0.8
117.05499	3.4
117.07023	2.9
119.08559	11.8
121.06510	2.2
121.10129	20.9
122.10484	1.2
123.04403	1.3
123.08049	1.9
123.11692	7.6
125.05956	1.1
125.09613	14.1
127.03912	3.2
127.07574	2.3
127.11184	2.2
128.06210	0.8
129.05457	24.2
129.06949	1.6
130.07776	0.9
131.08542	5.6
133.04959	1.3
133.06458	1.6
133.10097	12.0
135.08046	7.1
135.11665	12.2
135.12601	1.0
137.09592	4.1
137.13264	2.6
139.03903	2.0
139.11185	1.5
143.08575	2.6
143.10649	13.2
145.04973	2.5
145.10109	13.4
147.06522	8.9
147.07985	1.4
147.11671	8.1
149.09605	18.8
149.13255	5.0
151.07555	1.1
151.11192	2.5
152.25772	0.8
153.12772	0.9
155.08545	1.2
155.68800	0.8
157.10095	3.7
159.11685	9.2
161.09647	1.1
161.13242	5.2
163.06018	1.6
163.11197	2.2
163.14819	3.1
167.10693	1.7
169.10184	0.8
169.82179	0.7
171.06551	2.0
171.11600	3.5
173.11913	1.3
173.13081	4.0
175.11200	2.8
175.14809	5.1
177.16399	1.4
178.09534	0.9
179.14412	1.3
183.11710	1.1
185.13249	2.1
187.14833	4.3
189.11061	0.9
189.16319	5.5
191.17915	26.7
199.14851	2.4
201.16350	5.3
203.17902	5.8
205.15942	1.5
207.17471	1.1
209.15317	1.4
211.14886	1.5
213.16391	3.4
215.14212	0.9
215.17969	2.4
217.15869	6.4
217.19362	3.5
219.17514	1.7
223.14526	0.9
225.07625	3.4
225.16507	0.8
227.12793	1.4
227.17950	1.2
229.16060	1.0
229.19528	1.0
231.17416	5.9
231.21010	1.0
233.15385	2.9
233.19133	1.1
235.16975	2.9
241.19470	0.8
243.08664	2.8
243.21133	1.0
249.18536	2.8
257.19122	1.0
257.22644	2.2
261.09592	1.5
267.15875	1.5
267.21158	1.1
273.18463	1.8
275.20020	1.5
279.10739	2.3
285.22040	1.1
289.18094	1.0
291.19601	1.1
297.25726	1.2
299.23706	1.0
315.26755	1.7
335.27313	1.4
341.28683	1.9
351.30634	1.3
359.29553	1.0
365.23694	1.0
403.33539	1.4
421.34604	22.1
421.40073	1.5
439.35641	54.2
440.36072	2.3
457.36707	55.1
458.37265	2.3
475.37720	1.8
541.34692	1.1
571.39716	2.0
573.34283	1.7
589.40906	11.3
717.45831	5.7
735.46680	40.0
736.47272	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	753.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01861	5.2
55.05499	10.8
57.03427	34.4
57.07063	1.9
59.04992	1.8
61.02914	4.9
61.55745	0.7
65.03930	1.7
65.11607	0.8
67.05490	9.8
67.91943	1.0
69.03421	25.9
69.07063	5.6
70.06574	1.3
71.01332	3.6
71.04981	38.0
72.05318	1.3
72.69176	0.7
73.02905	40.2
73.06548	1.8
75.04468	77.2
79.05476	7.7
81.03407	6.7
81.07044	15.8
83.04967	18.6
83.08615	6.2
85.02891	68.9
85.06519	3.4
87.04453	5.4
88.41024	0.8
89.05988	1.1
91.05461	8.7
93.07024	14.9
95.04954	5.3
95.08591	21.0
97.02879	24.8
97.06508	3.0
97.10162	3.3
99.04443	17.2
99.08084	5.7
101.06007	13.1
103.03932	1.9
105.07013	9.8
106.07308	0.8
107.04924	2.0
107.08573	33.9
109.02872	1.8
109.06483	3.2
109.10140	20.6
111.04429	26.6
111.08070	1.5
111.11693	1.1
113.02379	0.9
113.05994	2.2
115.03910	21.2
115.65672	0.7
117.05486	6.4
117.06988	1.6
119.08570	13.9
121.06471	2.5
121.10126	24.4
123.04384	1.0
123.08020	2.5
123.11673	9.8
125.05986	1.8
125.09615	20.7
126.83981	0.7
127.03918	5.0
127.07521	2.3
127.11150	3.9
129.05461	24.7
129.06955	1.3
131.08545	5.5
133.04933	9.8
133.06487	1.0
133.10103	12.3
135.08031	7.3
135.11667	14.8
137.05974	1.7
137.09569	5.7
137.13246	3.6
139.03903	3.1
139.11131	1.5
141.12718	0.8
143.08455	1.0
143.10655	24.3
145.04890	1.9
145.10115	12.9
147.04533	1.0
147.06506	20.7
147.07829	1.6
147.11684	10.1
149.05948	1.1
149.09608	15.3
149.10742	0.9
149.13225	7.6
151.03908	1.0
151.11180	3.1
153.05440	1.1
157.04948	3.2
157.10092	3.4
159.11655	10.9
161.09576	1.2
161.13231	7.8
163.03885	1.6
163.05980	2.3
163.11171	3.1
163.14844	4.4
165.12643	1.2
167.14301	1.3
169.04936	1.0
169.10069	1.1
171.06494	4.0
171.11662	2.6
173.09595	1.1
173.13239	5.0
175.11211	1.4
175.14806	4.4
177.05475	2.1
177.16348	1.8
179.14316	1.4
181.04938	1.4
183.11713	1.8
185.13202	2.6
187.14799	5.8
189.12785	1.0
189.16377	6.8
191.14287	1.7
191.17920	44.5
193.12285	1.0
197.13290	1.7
199.05975	1.1
199.14784	3.2
201.16353	7.4
203.14285	1.3
203.17934	6.1
205.15897	2.1
207.06537	0.9
207.17424	2.5
209.15392	1.2
211.14999	1.0
213.12871	0.8
213.16345	3.8
215.14450	0.8
215.17909	3.6
217.07019	0.9
217.15875	8.4
217.19434	5.3
219.09998	0.9
219.17453	1.9
225.07480	7.2
227.17889	2.2
229.19481	1.0
229.59891	0.9
230.15564	0.9
231.17401	9.5
233.15303	3.2
233.18912	1.4
235.16792	3.8
243.08607	4.7
243.21007	1.7
249.18585	4.0
255.21072	2.2
257.22647	3.4
261.09656	3.0
267.15811	1.5
267.21219	0.9
279.10736	3.0
285.22159	1.1
287.23792	1.0
299.23724	1.5
315.26569	0.9
317.24768	1.4
323.27145	1.3
331.63193	0.7
335.27136	1.4
337.37985	0.9
341.28265	2.8
349.28879	1.1
351.30408	2.5
353.28467	1.1
369.31406	1.3
383.29761	0.9
403.33511	2.1
421.34543	35.5
422.34851	1.5
439.35669	82.2
440.35947	2.1
457.36703	26.0
458.38034	0.9
474.36398	1.4
475.36890	2.4
571.39453	1.3
647.41010	1.1
717.45447	7.7
735.46649	100.0
736.47009	4.2
753.46063	2.6
754.43787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4766
Annotation	Spergulacin A
Peak:m/z	Relative Intensity
53.00295	0.3
53.03928	0.7
55.01859	1.1
55.05501	3.4
57.03424	9.4
57.07061	0.8
59.04992	1.1
61.02908	1.0
62.17933	0.2
65.03930	0.4
67.05487	4.1
68.99787	0.2
69.03417	12.2
69.07050	3.1
71.01343	1.8
71.04977	71.7
71.79632	0.3
72.05318	0.6
73.02898	7.0
73.03307	0.4
73.06532	0.4
75.04468	3.3
79.05475	3.6
81.03412	1.7
81.07037	7.6
83.04562	0.1
83.04964	8.9
83.08597	2.3
85.02887	100.0
85.06516	2.3
86.03215	0.6
86.06051	0.4
87.04445	2.8
89.06016	0.5
91.05453	3.5
92.78542	0.2
93.07027	6.7
95.04940	2.3
95.08088	0.1
95.08585	11.2
97.02874	13.0
97.06483	1.1
97.10134	2.2
99.04436	7.7
99.08067	3.0
99.08681	0.3
101.06018	0.8
103.03918	0.8
105.07005	5.4
107.04939	0.6
107.08569	17.9
108.08868	0.3
109.02858	0.9
109.06499	1.3
109.10130	8.3
111.04426	4.8
111.05129	0.4
111.08086	0.6
111.11710	0.3
113.02364	0.6
113.05988	0.6
115.03904	8.2
117.05477	4.8
117.07007	0.9
119.08557	6.5
119.09389	0.4
121.06516	0.5
121.10120	12.4
122.10462	0.3
123.04430	0.6
123.08061	0.8
123.11685	4.3
125.06004	1.2
125.09606	11.4
127.03899	2.3
127.07523	1.5
127.11147	1.5
129.05452	23.2
130.05751	0.3
131.08551	2.3
133.04973	0.8
133.06517	0.3
133.10095	5.6
134.10455	0.2
135.04373	0.4
135.08028	4.2
135.11670	7.6
136.11911	0.3
137.05963	0.4
137.09569	2.0
137.13205	1.8
139.03848	2.2
139.11165	1.0
141.05513	0.3
142.07790	0.3
143.03378	0.4
143.08568	1.1
143.10645	14.5
145.04938	2.7
145.10097	6.6
147.06493	7.2
147.07732	0.3
147.11658	5.4
149.05997	0.2
149.09589	8.8
149.10794	0.4
149.13213	3.0
151.07573	0.3
151.11168	1.4
153.05437	0.5
153.12708	0.4
155.08551	0.3
157.04951	1.2
157.10126	2.1
159.08022	0.3
159.11661	5.0
159.12915	0.3
161.09625	0.9
161.13239	3.0
162.13573	0.3
163.03903	0.3
163.05992	2.2
163.11185	0.9
163.14787	2.2
165.07628	0.2
165.12744	0.3
167.10692	0.9
167.14293	0.4
169.10120	0.6
171.06464	1.8
171.11656	2.0
173.09589	0.3
173.13226	2.3
175.06017	0.3
175.11211	0.5
175.14777	2.4
177.12766	0.4
177.16327	1.2
183.11766	0.6
185.13261	1.0
187.06160	0.2
187.11201	0.3
187.14793	4.1
189.16344	3.4
191.14314	0.8
191.17909	22.3
192.18288	0.5
193.19524	0.3
197.13121	0.5
199.06029	0.2
199.14774	1.7
201.16351	4.0
203.14316	0.6
203.17897	3.6
205.15913	0.7
205.19368	0.4
207.06570	0.5
207.17455	0.5
209.15271	1.0
211.14832	0.6
213.16348	2.3
215.14352	0.5
215.17853	1.8
217.10750	0.4
217.15860	4.3
217.19356	1.9
219.17477	0.8
219.20972	0.5
225.07541	3.4
225.16396	0.4
227.17982	0.9
229.15884	0.5
229.19505	0.7
231.17406	4.6
231.21016	0.4
233.15308	1.9
233.19070	0.7
235.16858	1.8
237.16492	0.4
239.17986	0.4
241.19635	0.6
243.08614	3.0
243.17393	0.5
243.21027	0.6
245.19032	0.5
249.15900	0.3
249.18449	2.2
255.21117	0.8
257.19159	0.3
257.22641	1.6
259.20636	0.3
261.09708	2.3
267.21173	0.4
269.22629	0.3
271.20776	0.3
273.18726	0.4
273.22165	0.3
275.20065	0.3
279.10660	1.8
281.22696	0.6
285.22134	0.5
287.23767	0.3
295.24097	0.3
299.23865	0.6
305.24829	0.5
311.23810	0.3
313.25259	0.2
315.23337	0.2
315.26846	0.5
323.27298	0.5
325.25198	0.3
335.27386	0.7
337.24799	0.3
341.28278	1.7
349.28891	0.5
351.30396	1.2
353.28409	0.4
361.28860	0.2
365.28259	0.3
369.31598	0.3
395.33051	0.2
396.69748	0.2
397.35104	0.3
403.33511	1.2
421.34586	16.1
422.35043	0.6
439.35645	37.6
440.35886	1.4
457.36664	9.7
458.37039	0.4
463.35660	0.2
475.36981	0.2
553.39374	0.3
567.40546	0.3
571.39807	0.5
585.74414	0.2
589.40961	3.5
647.41425	0.8
717.45569	3.6
725.27069	0.2
735.46619	49.9
736.46893	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	753.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.7
55.01863	24.7
55.05504	52.1
57.03431	21.0
57.07059	3.3
59.04991	4.0
61.02916	15.3
65.03915	6.5
67.05495	95.4
67.57693	2.0
69.03080	2.6
69.03423	24.9
69.07058	33.1
69.63488	16.7
71.01333	3.6
71.04987	38.3
73.02904	5.7
79.05480	80.9
81.03405	83.0
81.07043	89.5
83.04964	23.9
83.08606	36.4
85.02891	43.2
85.06530	7.7
87.04455	3.0
91.03955	3.0
91.05466	72.8
93.07031	74.7
95.04960	35.4
95.08590	51.2
97.02871	20.8
97.06516	26.9
97.10148	34.2
99.04431	6.8
99.08060	3.0
103.05466	4.0
105.07015	75.9
107.04941	28.3
107.07890	3.8
107.08578	53.4
109.02868	7.9
109.06516	17.4
109.10142	44.6
111.04428	10.8
111.08051	15.8
113.05991	3.3
115.05458	6.2
117.07008	27.9
119.08563	44.3
121.06509	10.4
121.10135	40.7
123.04437	3.3
123.08045	12.4
123.11683	6.9
125.05993	2.8
125.09608	32.3
127.03905	7.8
127.07511	2.7
128.06194	6.3
129.05463	8.6
129.06975	18.9
130.07759	2.5
131.04875	2.8
131.08540	42.3
131.09448	3.8
133.06464	9.2
133.10117	39.2
135.08017	18.3
135.11694	17.9
137.05930	2.4
137.09592	9.7
139.11143	2.9
141.06935	5.5
142.07753	6.8
143.08545	18.1
143.10591	2.8
144.81059	2.3
145.06458	7.6
145.10095	36.4
147.06433	3.1
147.08061	10.8
147.11662	34.0
149.05954	3.3
149.09619	23.2
149.13281	5.6
151.11171	5.8
153.09044	4.9
153.12711	3.9
155.08519	9.1
155.10667	3.0
157.10115	24.0
159.08051	6.6
159.11684	20.1
161.09605	8.2
161.13228	7.8
163.11160	17.9
163.14813	2.1
165.09105	2.5
165.12779	4.8
167.10655	2.8
169.10165	10.1
169.12172	2.5
171.08005	2.4
171.10228	3.2
171.11673	16.1
173.04454	7.3
173.09610	6.0
173.11734	5.0
173.13248	11.6
175.11145	15.9
175.14711	3.3
177.12756	5.2
181.10051	3.3
181.12193	3.2
183.11678	9.0
185.09610	2.5
185.13229	8.2
187.11162	7.8
187.14830	8.7
189.11211	19.7
189.12662	3.2
189.16231	2.8
191.10632	3.8
191.17923	4.5
193.12198	21.3
195.11703	6.0
195.13663	2.1
197.13217	6.2
199.14870	4.9
201.12665	4.4
201.16393	4.9
203.17851	3.8
209.11536	2.4
209.13342	2.9
211.13261	5.9
211.14954	3.2
213.12820	2.8
215.14267	2.8
217.12303	2.8
219.13699	2.8
221.13214	2.1
223.13091	3.5
227.12695	36.4
229.14302	18.5
233.15479	3.6
237.16388	3.0
241.14232	3.2
241.19609	2.4
245.13843	3.7
249.14813	6.0
257.18954	3.2
267.15863	45.7
273.18472	6.2
275.20007	29.5
283.15378	3.3
289.17874	3.0
291.19598	13.9
293.21143	3.2
297.22119	8.1
299.20007	6.4
301.21390	6.1
313.21552	6.6
315.18027	3.0
315.23187	5.9
317.20929	2.8
329.21228	2.8
331.22610	3.5
347.22052	4.1
349.23721	22.4
365.23300	3.6
367.24734	2.9
387.25345	2.8
409.34564	4.1
419.24194	4.2
421.25742	5.9
431.29254	4.5
437.25235	8.2
439.35489	6.9
447.27338	4.0
449.30237	9.0
461.28806	4.8
467.31543	8.5
477.28387	2.6
485.32745	5.8
513.35449	3.7
515.33319	3.1
521.31897	2.1
523.34344	12.0
541.35205	100.0
542.35376	7.4
559.36218	70.0
560.37341	2.5
573.37939	34.7
583.35883	2.9
591.38818	33.0
649.37604	3.2
703.40216	3.2
721.40991	3.2
735.45068	8.1
735.56958	2.4
753.44580	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	753.4766
Annotation	Spergulacin A
Peak:m/z	Relative Intensity
53.03934	1.2
54.12242	0.3
55.01859	0.7
55.05502	3.7
57.03424	10.4
57.07065	1.1
59.04977	1.1
61.02912	1.0
65.03907	0.5
67.05491	4.2
69.03414	12.5
69.07058	3.7
70.03773	0.4
70.85387	1.3
71.01350	2.3
71.04977	65.7
72.05322	0.7
73.02897	7.5
73.06550	0.5
75.04468	3.6
79.05470	4.0
81.03408	2.0
81.07038	9.4
82.07362	0.5
83.04965	8.2
83.08594	2.9
85.02887	100.0
85.06528	1.7
86.03241	1.6
87.04453	3.2
89.05981	0.5
91.05459	4.1
93.07028	8.3
95.04958	2.3
95.08582	9.7
97.02868	12.9
97.06551	1.7
97.10136	2.5
99.04431	8.7
99.08072	3.3
101.05998	0.9
103.03929	0.5
103.05447	0.4
105.07011	6.6
107.04917	0.8
107.08570	16.4
109.02866	1.6
109.06517	1.6
109.10133	8.5
110.10477	0.4
111.04426	6.1
111.08057	0.7
113.02350	0.5
113.06009	0.6
114.09162	0.5
115.03912	7.8
116.17841	0.4
116.61449	0.5
117.05467	3.8
117.06982	0.7
119.04948	1.0
119.08553	6.1
121.06481	1.2
121.09255	0.6
121.10120	11.2
123.04450	0.5
123.08067	1.0
123.11674	4.4
125.06027	0.9
125.09602	10.8
125.10468	0.7
127.03890	3.2
127.07549	1.2
127.11208	1.5
128.06206	0.4
129.05447	25.1
130.05800	0.5
130.08684	0.4
131.04915	0.5
131.08517	3.1
133.04950	1.3
133.06525	0.4
133.10101	6.4
134.10518	0.5
135.04405	0.7
135.08031	4.1
135.11664	7.7
136.06186	0.9
137.05980	1.3
137.09601	2.0
137.13231	1.3
139.03845	2.3
139.11143	1.0
142.07797	0.5
143.08652	0.8
143.10645	15.1
145.04906	1.9
145.10103	6.3
147.04434	0.7
147.06488	7.1
147.07689	0.6
147.08133	0.5
147.11653	4.6
149.06010	0.7
149.09578	8.0
149.13214	3.6
151.03923	0.5
151.07481	0.6
151.11180	1.5
153.05504	0.6
153.09181	0.4
153.12741	0.4
157.04965	1.4
157.10103	2.3
158.58269	0.4
159.11667	5.5
161.13237	4.0
163.06053	1.9
163.07404	0.4
163.11189	1.2
163.14771	2.1
167.07100	0.5
167.10655	0.6
167.14241	0.4
171.06488	1.2
171.11633	1.9
173.09618	0.5
173.13202	2.9
175.11163	0.7
175.14761	1.9
177.05489	0.8
177.16362	1.1
179.14297	0.5
183.06514	0.4
185.13283	1.5
187.11032	0.4
187.14786	3.7
189.12842	0.4
189.16336	3.3
189.17766	0.4
191.14317	1.4
191.17906	21.9
192.18263	0.8
195.11758	0.6
199.14854	1.4
201.16362	3.2
203.17935	3.1
205.15886	0.9
207.06427	0.9
207.17471	1.2
209.15289	1.9
211.14809	0.6
213.16449	2.1
215.17990	1.8
217.15843	3.7
217.19377	1.9
219.10181	0.8
219.17445	0.6
225.07570	3.5
225.16432	0.7
227.18005	0.8
229.19537	0.8
231.17442	3.4
231.21072	0.6
233.15364	1.9
233.18976	1.0
235.16844	2.0
241.19530	0.6
243.08513	2.9
243.21214	0.6
245.18927	0.5
249.18439	2.6
255.21091	0.7
257.22736	1.7
259.20505	0.4
261.09756	2.2
269.22748	0.5
279.10785	1.8
299.23804	0.5
315.26901	0.5
335.27563	0.7
341.28406	1.5
351.26608	0.5
351.30466	0.7
353.28510	0.6
355.10684	0.4
403.33716	0.8
421.34561	16.4
422.34970	0.9
439.35645	37.3
440.35931	1.7
455.35034	0.7
456.35696	1.1
457.36682	9.3
473.36301	1.2
474.36639	1.3
475.37131	1.8
571.39789	0.9
589.40863	2.9
647.41754	0.6
717.45514	3.5
735.46619	53.3
736.47296	3.3
753.46747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01845	1.2
55.05497	7.4
57.03184	1.1
57.03429	10.9
57.06792	1.5
57.07069	27.8
59.12155	0.8
64.42812	0.9
67.05185	1.2
67.05500	14.8
69.03418	1.9
69.07057	7.2
69.27581	0.9
71.04971	1.5
71.08246	1.3
71.08621	21.9
71.09009	1.7
73.02894	1.0
74.09715	1.9
79.05476	9.4
81.03405	51.0
81.07042	16.0
83.04960	3.9
83.08602	19.9
85.02854	1.4
85.06495	1.1
85.10162	11.4
89.05991	2.0
90.07100	0.9
91.05455	10.8
93.07010	6.0
95.04948	16.3
95.07999	1.1
95.08594	17.2
96.08925	1.3
97.02885	2.3
97.06524	2.5
97.10159	6.2
105.07013	8.2
105.72075	0.8
107.04926	3.9
107.08556	3.9
109.06482	2.5
109.10143	8.4
111.04424	2.6
111.08059	4.1
115.66282	0.8
117.06993	1.1
119.08552	9.5
121.06482	1.1
121.10104	4.5
123.08048	1.4
123.11710	2.5
126.95659	0.9
129.07008	5.3
131.08553	5.7
132.15295	0.9
133.06436	1.7
133.10075	3.1
135.11684	1.5
137.05942	1.4
137.13248	2.0
142.07748	2.0
145.10100	2.9
147.08029	3.2
147.11687	4.6
149.09590	4.0
157.10109	8.8
175.11098	6.6
184.07315	1.7
193.12215	20.1
194.12585	1.4
211.13177	1.7
257.24860	1.3
267.15866	98.5
268.16125	3.2
305.21426	0.9
305.71259	1.0
309.16867	1.4
313.27319	100.0
314.27661	4.1
315.28049	1.3
335.25497	1.2
505.38818	80.1
506.39142	5.0
523.39716	2.0
547.39917	2.8
574.51031	1.0
601.41364	1.1
615.35870	1.1
752.45172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01859	1.8
55.05505	7.3
57.03147	0.7
57.03429	13.1
57.07068	29.6
65.03938	0.6
67.05494	15.1
69.03418	1.9
69.07063	9.5
70.91959	1.3
71.01337	1.1
71.04977	1.7
71.08619	24.1
71.17834	0.3
73.02895	1.1
74.09692	1.0
79.05070	0.7
79.05484	9.0
81.03407	62.7
81.07043	20.9
81.07529	0.9
82.03729	1.1
82.07368	0.6
83.04961	3.7
83.08607	22.5
85.02885	2.9
85.06538	0.6
85.10172	14.5
89.06021	1.1
90.32494	0.4
91.05463	11.8
93.07025	7.4
93.07571	0.7
95.01333	1.6
95.04954	19.0
95.08595	19.5
96.08927	0.8
97.02884	3.2
97.06506	1.5
97.10155	5.5
99.00826	0.6
99.08101	0.7
99.11718	1.0
103.07561	1.1
105.07012	8.6
107.04949	5.2
107.08569	3.3
109.02857	0.8
109.06498	2.9
109.10146	8.8
110.10479	0.6
111.04425	1.7
111.08064	5.2
111.11694	1.2
113.02334	0.7
115.05441	1.3
117.06991	1.2
117.09109	0.5
119.04942	0.7
119.08566	9.9
121.06495	2.0
121.10120	5.0
123.04425	2.1
123.08035	1.7
123.11699	4.8
125.09612	1.3
125.13242	0.8
129.06984	7.0
131.03331	0.8
131.08546	6.8
133.06490	2.2
133.10103	4.2
135.08018	0.7
135.11681	1.3
137.05942	0.5
137.09576	1.1
137.13235	1.1
139.11148	0.8
141.01811	3.1
142.07744	1.7
143.08539	0.6
145.10100	2.0
147.04317	0.6
147.07986	2.6
147.11658	6.0
149.09590	4.6
151.14745	0.6
157.10115	7.9
159.11850	0.6
161.05907	0.8
161.09584	0.8
163.11118	2.0
165.12753	1.5
175.03903	0.4
175.11165	8.3
177.12622	0.4
184.07300	0.6
193.12215	26.1
194.12537	1.0
205.12234	1.2
209.11572	0.4
211.13306	2.2
213.12674	0.6
217.12062	0.5
223.13228	0.7
225.84517	0.4
235.13255	3.0
237.14731	0.5
239.23692	3.7
249.14835	2.5
249.83841	0.5
257.24741	2.9
259.13364	1.1
267.15875	98.7
268.16113	3.3
271.13284	1.5
277.14343	1.9
285.16885	1.8
287.12766	1.2
289.14255	1.8
298.27127	0.5
301.16364	0.5
305.13684	1.0
309.16812	3.3
311.25824	1.0
312.26141	1.4
313.27313	100.0
314.27649	4.1
315.12256	1.4
331.28510	0.6
333.13287	1.2
341.26587	0.5
345.16867	0.8
351.14252	1.1
363.18115	0.4
371.20239	0.4
389.15854	1.0
407.16852	1.0
415.26642	1.4
425.17987	0.9
443.19211	3.4
489.30444	2.1
504.37387	0.7
505.38791	77.3
506.38910	4.0
523.39514	2.1
547.40002	5.4
585.39282	0.6
601.40906	2.1
627.38306	1.7
645.39490	1.3
663.40747	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	752.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72632	0.5
53.03926	2.1
54.26372	0.6
55.01592	0.6
55.01865	8.9
55.05499	8.2
57.03432	2.5
65.03920	1.1
67.05495	21.0
69.03421	1.2
69.07063	12.6
70.82159	0.4
71.04981	1.4
71.80474	0.7
73.06544	0.6
79.05482	24.1
81.03415	4.6
81.07042	24.9
83.04964	4.8
83.08605	3.4
85.02900	0.9
85.06519	0.8
91.05463	27.4
92.05833	0.6
93.07030	23.9
95.01303	3.4
95.04952	8.3
95.08593	14.3
97.02859	0.9
97.06517	18.4
97.10150	2.3
99.08051	0.5
103.05449	1.1
105.07018	36.2
106.07323	0.6
107.04960	6.8
107.08578	9.8
109.06508	3.1
109.10129	3.7
111.08057	1.6
115.05445	0.5
117.07005	6.9
119.08566	17.9
121.06516	1.5
121.10135	4.0
123.04435	0.7
123.08075	3.0
123.11697	0.9
125.09642	1.0
127.03938	0.5
128.06229	0.9
129.06984	5.6
131.08540	8.0
133.10110	16.9
133.11122	0.9
135.08047	1.6
135.11703	3.3
137.09601	1.6
139.07500	0.8
141.07007	1.1
143.08527	3.6
145.06529	0.5
145.10107	9.1
147.08044	1.0
147.11662	13.6
149.09630	3.3
149.13301	1.6
151.11140	1.0
155.08569	0.7
157.10170	1.6
159.08084	0.7
159.11684	4.9
161.09628	1.5
161.13216	4.1
163.11147	2.9
165.09093	1.4
169.10155	0.9
171.11655	5.7
173.13274	2.1
175.11179	0.8
175.14871	0.8
177.12743	1.1
179.14272	5.1
183.11627	0.7
184.07544	0.5
187.11130	1.5
189.12752	2.0
201.12802	0.6
205.12253	0.7
207.13777	4.1
229.19565	0.6
239.17944	0.8
247.20662	0.8
248.23201	0.5
257.18976	2.6
259.20602	1.6
263.16415	1.1
275.20032	33.9
276.20538	0.6
277.21643	0.4
279.15921	3.0
281.17422	26.5
282.17761	0.6
293.21088	2.9
296.35663	0.5
331.22659	0.5
349.23682	14.1
350.24069	0.6
459.31271	0.7
537.36053	1.6
555.36743	100.0
556.37122	7.0
573.37750	1.9
598.32611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4613
Annotation	alpha-Hederin
Peak:m/z	Relative Intensity
53.03946	1.3
55.01870	1.0
55.05500	5.4
56.37828	0.4
57.03429	11.0
57.07067	1.1
59.04988	1.0
61.02915	1.1
65.03918	0.5
65.82249	0.3
67.05499	6.6
69.03418	11.9
69.07062	7.5
70.99139	1.1
71.01353	2.0
71.04981	61.6
72.05315	0.8
73.02905	8.5
74.09708	0.3
75.04468	4.1
79.05472	3.0
81.03392	1.6
81.07045	9.5
83.04965	10.0
83.08611	1.9
85.02892	100.0
85.06546	0.5
86.03223	1.1
86.06061	0.5
87.04458	2.7
91.05455	3.4
93.06486	0.6
93.07032	6.7
95.04954	1.8
95.08593	11.9
97.02876	11.9
97.06496	1.5
97.10152	2.2
99.04431	7.4
99.08077	0.5
101.06004	0.5
103.03933	0.8
105.07014	6.3
107.04911	0.9
107.08577	11.7
109.02852	0.4
109.06500	1.3
109.10140	16.8
110.10452	0.4
111.04427	6.6
111.08086	0.7
111.11705	0.6
113.02317	0.6
113.05968	0.7
115.03908	9.2
117.05466	4.2
117.06949	0.8
119.08557	8.2
121.06488	0.8
121.10130	9.7
123.04423	0.8
123.08028	0.9
123.10860	0.6
123.11692	8.6
125.05974	0.5
125.09640	3.7
127.03897	2.2
127.11173	0.4
128.06175	0.5
129.05460	30.2
130.05759	0.5
131.08546	3.0
133.04924	1.3
133.06427	0.4
133.09145	0.7
133.10103	6.7
135.04419	0.5
135.08043	0.7
135.11679	8.5
137.05963	0.9
137.09567	0.4
137.13228	4.1
139.03877	2.2
139.07524	0.5
139.11180	0.6
142.07707	0.3
143.08568	2.0
145.04924	3.0
145.10078	4.3
147.06499	11.0
147.07845	0.7
147.11671	4.2
149.09550	1.2
149.13199	3.6
151.07483	0.8
151.11128	0.6
151.14709	0.8
153.05440	1.0
153.09038	0.4
153.12701	0.7
155.08502	0.6
157.04865	1.3
157.10132	2.2
159.08023	0.4
159.11678	4.8
161.05994	0.6
161.09557	0.9
161.13252	3.6
163.03889	0.4
163.05977	1.9
163.07462	1.1
163.11119	0.5
163.14761	2.5
165.05493	0.4
165.08977	0.4
165.12755	0.4
167.10823	0.3
169.04924	0.7
169.10094	1.0
170.10947	0.4
171.06538	2.2
171.11661	2.4
173.09515	0.5
173.13231	2.8
175.11224	0.5
175.14819	3.0
177.09009	0.8
177.12721	0.7
177.16331	1.8
179.06885	0.4
181.04875	0.4
181.10121	0.6
183.11618	1.2
185.13219	2.3
187.11147	0.6
187.14818	4.2
189.09064	0.6
189.12669	0.6
189.16325	3.2
191.10593	1.0
191.17896	5.1
193.19383	0.7
195.06494	0.4
197.13185	1.3
199.05763	0.5
199.11139	0.4
199.14734	1.4
201.07594	0.4
201.12666	0.5
201.16347	3.6
203.10664	0.6
203.14255	0.7
203.17915	2.7
205.15894	0.6
205.19450	0.7
207.13596	0.4
207.17372	0.5
209.13214	0.6
211.14746	0.7
213.16255	1.3
215.14320	0.7
215.17860	1.4
217.12341	0.4
217.15919	0.7
217.19415	1.5
219.13632	0.8
219.17369	0.4
223.14859	0.5
225.07610	4.2
225.12643	0.4
225.16360	0.5
227.17867	1.0
229.15892	0.8
229.19472	0.5
231.13739	0.9
231.17357	0.4
233.15282	1.0
239.17856	0.6
241.15744	0.5
241.19363	1.2
243.08629	3.1
243.20987	0.6
245.15388	1.6
247.16913	2.0
253.19370	0.6
255.17307	0.7
255.20990	1.4
259.16815	0.5
261.09747	3.1
269.22321	0.5
273.18442	0.7
275.19925	0.5
279.10687	1.6
279.20898	0.6
281.22675	0.6
283.20590	0.4
283.23923	0.4
285.18311	0.4
293.22382	0.5
295.24072	1.1
297.22058	0.8
299.19952	0.6
309.25723	0.8
311.23511	0.8
313.21445	1.1
313.25125	1.2
315.23181	2.4
323.27078	0.4
327.22964	0.5
329.24704	0.5
351.26767	0.9
355.26212	0.8
357.24310	0.7
363.26990	0.4
367.26059	0.6
369.27795	5.0
370.27991	0.5
373.27155	1.1
377.31766	1.2
381.27441	1.4
387.28674	1.0
391.28232	1.0
391.33145	0.6
395.32736	0.7
401.31781	0.5
407.32700	0.7
409.34274	1.4
419.33127	3.5
420.33093	0.5
420.40262	0.3
432.97729	0.4
437.34097	13.5
438.34192	1.1
439.35217	0.4
455.28854	0.4
455.35144	7.6
456.35004	1.1
457.55618	0.4
473.30023	0.4
473.36206	7.0
474.36093	0.7
551.36432	0.4
565.37891	0.6
587.38763	1.4
605.40424	4.4
697.92120	0.5
733.45367	4.4
751.46124	7.0
752.45612	0.9
762.94458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4611
Annotation	alpha-Hederin
Peak:m/z	Relative Intensity
53.00303	0.3
53.03931	0.7
55.01857	0.7
55.05502	3.2
55.61925	0.2
57.03426	10.3
57.07061	1.1
58.10110	0.2
59.04996	1.0
60.90911	0.2
61.02920	1.3
65.03931	0.5
65.92371	0.2
67.05495	3.8
69.03416	11.8
69.07056	3.7
70.43112	0.2
70.98944	0.4
70.99324	0.3
71.01344	2.3
71.04979	64.8
71.08614	0.3
72.05309	0.6
73.02902	7.7
73.06562	0.2
75.04465	3.6
79.05476	3.1
81.03409	1.9
81.07041	8.1
83.01345	0.3
83.04965	10.0
83.08596	1.9
85.02890	100.0
85.06513	0.5
86.03211	0.5
86.06071	0.3
87.04447	2.2
91.05463	3.0
93.07030	7.1
95.04952	2.2
95.08588	11.3
96.08873	0.3
97.02872	13.2
97.06529	1.1
97.10134	0.7
98.21275	0.3
99.04435	7.8
99.08077	0.8
101.06006	0.7
103.03936	0.8
103.05461	0.3
105.07008	6.6
107.04927	0.7
107.08573	10.2
108.08861	0.2
109.02868	0.8
109.06501	1.4
109.10139	10.2
111.04417	6.3
111.08076	0.5
111.11731	0.2
112.07550	0.2
113.02401	0.2
113.05990	0.8
113.09684	0.2
115.03910	7.6
115.59660	0.2
116.04275	0.3
117.05473	4.0
117.06909	0.9
119.08561	8.4
121.02866	0.2
121.06483	1.3
121.10120	8.4
122.10464	0.2
123.04406	0.6
123.08032	0.8
123.11686	6.3
125.05964	0.4
125.09614	1.5
125.13291	0.2
127.03894	2.2
127.07558	0.3
127.11176	3.9
129.05457	25.5
130.05774	0.2
131.08537	2.7
133.04948	1.0
133.10104	7.5
135.04395	0.5
135.08028	1.5
135.11667	7.2
137.05936	0.5
137.09610	0.8
137.13232	3.4
139.03873	2.0
139.07581	0.4
139.11171	0.8
141.06992	0.2
141.12714	0.7
142.07768	0.3
143.03394	0.3
143.07027	0.2
143.08549	1.8
143.10641	0.4
144.09245	0.2
145.04918	3.0
145.10097	5.1
147.04581	0.3
147.06500	7.6
147.08003	0.5
147.11658	5.6
149.05952	0.2
149.09624	1.3
149.13220	3.8
151.03900	0.3
151.07483	0.5
151.11206	0.5
151.14786	0.5
153.05463	0.7
153.09030	0.2
153.12715	0.7
155.08490	0.5
155.10637	0.7
156.09282	0.3
157.04916	1.0
157.10101	2.4
158.98157	0.2
159.08020	0.5
159.11667	5.7
160.12190	0.2
161.05925	0.2
161.09622	1.5
161.13226	4.2
163.03915	0.3
163.06003	1.7
163.07370	0.4
163.11166	0.6
163.14772	2.1
165.05623	0.3
165.09120	0.3
165.12784	0.5
167.10568	0.5
167.14337	0.3
169.04935	0.5
169.10069	0.9
170.10954	0.2
171.06523	1.7
171.07951	0.3
171.11684	2.3
172.12358	0.3
173.09587	0.5
173.13214	3.3
175.11177	1.0
175.14830	2.3
177.05458	0.3
177.09103	0.5
177.12747	0.5
177.16351	1.7
179.06990	0.3
179.10683	0.5
179.14314	0.6
181.05078	0.3
181.10013	0.3
183.06508	0.2
183.11577	1.1
185.09624	0.3
185.13228	2.2
187.11169	0.4
187.14777	2.9
188.15176	0.2
189.12730	0.6
189.16364	3.2
191.10654	0.6
191.14316	0.3
191.17918	3.4
193.12157	0.3
193.15883	0.3
195.06451	0.3
195.11688	0.6
195.13707	0.2
197.13240	1.1
199.06003	0.4
199.11197	0.2
199.14809	1.7
201.12718	0.5
201.16367	3.2
203.14255	0.6
203.17883	3.0
205.12308	0.3
205.15822	0.4
205.19440	0.2
207.06342	0.3
207.13744	0.5
209.13268	0.5
211.14830	1.0
213.07600	0.2
213.16309	1.5
215.14336	0.6
215.17961	1.1
217.15836	0.6
217.19461	1.1
219.13792	0.7
219.17525	0.4
221.15288	0.3
223.14873	0.5
225.07535	3.1
225.16434	0.4
227.18033	0.9
229.15921	0.6
229.19539	0.9
231.13829	0.2
231.17480	0.6
233.15288	1.0
233.18913	0.4
235.14786	0.3
235.16902	0.5
237.16579	0.3
239.17891	0.7
241.15739	0.3
241.19559	0.9
243.08601	2.4
243.17439	0.4
243.21028	1.2
245.15392	0.7
245.18944	0.2
247.16922	1.7
249.16150	0.2
249.18434	0.4
251.17973	0.3
253.19588	0.6
255.21071	1.2
257.19040	0.3
257.22574	0.2
259.16995	0.3
259.20486	0.4
261.09619	2.2
261.18506	0.5
261.21967	0.9
267.21066	0.6
269.19125	0.5
269.22617	0.6
271.20544	0.3
273.18500	0.5
273.22156	0.5
275.20007	0.2
279.10669	1.8
279.21024	0.4
283.20514	0.7
285.18744	0.3
285.21991	2.0
287.20032	0.4
287.23541	0.3
289.21518	0.2
289.24887	0.2
297.22049	0.6
299.20044	0.4
299.23486	0.3
301.18573	0.2
301.21506	1.1
303.23303	0.5
309.25705	0.4
311.23627	0.3
313.21664	0.4
313.25162	0.4
315.23135	2.2
319.22659	0.2
321.25653	0.3
323.23575	0.3
323.27325	0.2
325.25436	0.4
327.23206	0.3
329.24585	0.3
331.22821	0.3
333.25504	0.4
339.26605	0.5
345.10074	0.2
349.28842	0.3
351.26862	0.7
355.26074	0.2
359.25760	0.2
369.27917	1.0
377.32040	0.2
387.28970	0.2
393.31354	0.2
395.33133	2.1
396.33774	0.2
397.30725	0.4
399.52951	0.2
401.31985	0.2
407.33102	0.9
409.34512	1.4
419.32965	3.4
425.34097	0.9
427.35568	0.2
437.34097	13.1
438.34335	0.6
443.34927	0.4
455.35147	27.0
456.35562	1.1
473.36188	30.7
474.36841	1.1
477.28333	0.2
515.36749	0.2
565.38739	0.4
581.32922	1.2
583.39783	0.4
587.39099	0.9
605.40387	10.6
606.40857	0.5
665.38593	0.6
703.43524	0.2
721.45129	0.6
722.72400	0.2
733.45093	4.7
751.46124	25.7
752.46167	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	751.4614
Annotation	alpha-Hederin
Peak:m/z	Relative Intensity
53.00287	0.3
53.03937	0.7
55.01855	1.4
55.05499	3.7
57.03426	11.0
57.07068	0.9
59.04984	1.1
60.31203	0.2
61.02911	1.2
65.03935	0.5
67.05128	0.2
67.05493	4.3
67.05819	0.1
69.03416	13.5
69.07056	4.0
70.06547	0.2
71.01340	2.1
71.04977	65.9
72.05317	0.6
73.02903	9.5
73.06536	0.3
74.09711	0.2
75.04465	7.2
79.05473	2.7
81.03410	2.0
81.07043	8.6
83.04964	9.4
83.08599	1.7
84.05294	0.2
85.02887	100.0
85.06525	0.5
86.03194	1.1
86.06071	0.2
87.04452	2.9
91.05459	2.9
93.07027	6.4
94.07354	0.2
95.04959	2.6
95.08588	11.4
96.08937	0.2
97.02869	13.8
97.06518	1.2
97.10154	0.9
98.03176	0.2
98.20596	0.3
99.04436	9.1
99.08083	0.9
101.06007	1.2
103.03902	0.6
103.05455	0.4
105.07013	6.3
107.04922	0.7
107.08570	8.8
108.08914	0.2
109.02852	1.1
109.03491	0.2
109.06504	1.9
109.10134	10.9
111.04423	7.2
111.08048	0.5
111.11710	0.5
113.02363	0.5
113.06008	0.5
113.09637	0.3
114.09258	0.2
115.03907	10.1
116.04243	0.2
117.05477	4.3
117.06927	0.9
119.08553	6.8
121.06494	1.7
121.10120	8.4
122.10461	0.3
123.04404	0.5
123.08023	0.9
123.11680	6.0
125.05985	0.5
125.09603	1.7
127.03869	2.6
127.07563	0.4
127.11169	4.5
128.06204	0.2
129.05453	26.4
130.05818	0.4
130.07802	0.2
131.04852	0.2
131.08542	3.0
133.04955	1.4
133.06442	0.3
133.10098	6.3
134.10464	0.3
135.04390	0.5
135.08022	1.3
135.11664	7.5
136.11984	0.2
137.02325	0.2
137.05954	0.7
137.09616	0.7
137.13222	3.8
139.03856	2.7
139.07547	0.4
139.11179	0.5
141.05405	0.2
141.12730	0.5
142.07817	0.3
143.07005	0.2
143.07436	0.2
143.08551	1.4
143.10660	0.3
144.09256	0.3
145.04929	3.2
145.06509	0.3
145.10091	4.6
145.11189	0.3
147.06500	8.6
147.07994	0.7
147.11647	4.3
149.05946	0.4
149.09583	1.2
149.13235	4.2
151.03906	0.3
151.07512	0.5
151.11174	0.5
151.14763	0.2
153.05490	0.7
153.09113	0.2
153.12737	0.6
155.08551	0.6
155.10632	1.3
157.04962	1.2
157.10101	2.3
159.06558	0.2
159.08061	0.4
159.11664	4.3
159.12915	0.3
160.12090	0.2
161.05960	0.3
161.09602	1.5
161.13210	3.5
162.13545	0.2
163.03868	0.5
163.06032	2.2
163.07536	0.7
163.11122	0.8
163.14799	2.0
165.05498	0.3
165.09070	0.4
165.12756	0.5
167.06958	0.3
167.14297	0.2
169.04942	0.4
169.10080	0.8
169.12334	0.2
170.10832	0.2
171.06468	1.9
171.11661	2.0
173.09637	0.6
173.13217	3.1
175.11133	1.0
175.14786	2.2
177.09157	0.5
177.12785	0.5
177.16356	1.5
179.07068	0.4
179.10612	0.3
179.14302	0.6
181.04857	0.3
181.10109	0.3
183.06467	0.3
183.11623	1.2
185.09615	0.3
185.13237	2.1
186.13919	0.2
187.11244	0.6
187.14778	3.4
189.05627	0.2
189.07567	0.2
189.09184	0.3
189.12733	0.8
189.16341	2.9
191.10641	0.5
191.14313	0.5
191.17917	4.5
193.12190	0.3
193.15884	0.2
195.06491	0.4
195.11678	0.4
195.13664	0.3
197.08093	0.2
197.13260	1.1
199.05994	0.4
199.11215	0.3
199.14766	1.7
201.12813	0.4
201.16354	2.8
203.10632	0.2
203.14275	0.6
203.17934	2.1
205.12219	0.4
205.15797	0.4
205.19424	0.4
207.06476	0.5
207.13808	0.4
207.17451	0.4
209.13200	0.4
211.14775	1.0
213.07536	0.4
213.12973	0.4
213.16393	1.5
215.10783	0.2
215.14342	0.9
215.17891	1.1
217.06874	0.3
217.15950	0.7
217.19484	0.9
219.13835	0.5
219.17458	0.3
221.15280	0.3
223.14867	0.5
225.07541	4.0
225.16389	0.6
227.14352	0.3
227.18027	0.6
229.12219	0.2
229.15843	1.0
229.19507	0.8
230.43689	0.3
231.08704	0.2
231.13803	0.6
231.17413	0.4
233.15352	0.9
233.19006	0.4
235.16888	0.3
237.14619	0.3
237.16684	0.2
239.17926	0.6
241.19394	0.8
243.08597	3.3
243.17491	0.4
243.18739	0.2
243.21083	2.0
245.15411	0.9
245.18950	0.3
247.16927	1.4
249.18597	0.4
251.18033	0.2
253.19583	0.6
255.17259	0.3
255.21039	1.0
257.19028	0.4
257.22604	0.2
259.16992	0.2
259.20679	0.4
261.09671	2.6
261.18607	0.5
261.22159	2.1
265.19611	0.2
267.21112	1.3
269.18842	0.3
269.22559	0.3
271.20688	0.4
273.18750	0.3
273.22220	0.4
275.20132	0.4
277.19797	0.2
279.10739	2.3
279.21103	0.2
281.18759	0.2
281.22507	0.3
283.20596	0.4
283.24106	0.2
285.22073	3.5
287.20026	0.6
287.23529	0.2
295.20532	0.3
295.24142	0.2
297.22125	0.4
299.20230	0.2
299.23685	0.4
301.21561	1.0
303.23212	0.6
309.22031	0.2
311.23651	0.6
313.21576	0.6
313.25006	0.3
315.23120	1.7
317.24710	0.2
321.25766	0.2
325.25385	0.2
327.23212	0.4
327.26862	0.3
329.24704	0.4
333.25241	0.1
339.26761	0.4
341.24710	0.2
345.24237	0.3
349.28864	0.3
351.26648	0.8
355.26266	0.2
357.28018	0.3
367.26166	0.3
368.25699	0.2
369.27859	2.0
373.27332	0.4
377.32169	0.6
381.27957	0.4
387.28955	0.4
395.33344	1.3
399.29224	0.2
401.31866	0.3
407.33008	1.3
409.34653	1.2
419.32993	2.7
420.33356	0.3
425.34125	1.6
427.35657	0.2
437.34067	14.4
438.34418	1.0
443.35269	0.8
455.35123	22.7
456.35443	1.9
473.36172	22.8
474.36594	1.5
555.88507	0.2
569.38202	0.2
581.33234	2.7
582.33685	0.3
587.39398	0.7
590.32477	0.3
605.40430	6.4
605.50269	0.4
606.40845	0.6
665.38849	1.1
703.43738	0.4
707.42963	0.3
715.43823	0.2
721.44916	0.7
733.45087	8.3
734.45996	1.0
751.46112	17.0
752.46918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.461
Annotation	alpha-Hederin
Peak:m/z	Relative Intensity
53.03941	0.7
55.01858	1.3
55.05503	4.8
57.03430	10.2
57.07069	1.2
59.04993	0.7
61.02917	1.3
62.91109	0.2
65.03950	0.6
67.05495	7.1
67.77015	0.2
69.03419	12.8
69.07059	6.9
71.01352	2.2
71.04984	62.1
72.05325	0.7
73.02909	8.4
75.04474	3.6
77.03928	0.2
78.04060	0.2
79.05481	4.7
81.03410	3.7
81.07043	10.0
83.04970	9.7
83.08605	2.6
85.02894	100.0
85.06524	0.7
86.03233	0.9
86.06083	0.4
87.04469	2.6
91.03819	0.2
91.05467	5.3
92.05811	0.3
93.07036	7.5
95.04961	3.2
95.08594	11.7
97.02879	12.2
97.06509	1.6
97.10148	2.4
99.04441	7.7
99.08075	0.7
101.06005	0.8
103.03936	0.7
104.96329	0.2
105.07015	7.2
107.04948	0.8
107.08576	11.9
109.02877	1.0
109.06539	1.3
109.10145	16.2
110.10462	0.3
111.04427	6.8
111.08058	0.7
111.11695	0.5
113.02354	0.4
113.06002	0.6
115.03913	9.0
117.05480	3.8
117.06973	2.0
119.04944	0.2
119.08569	8.7
120.08874	0.2
121.06484	0.9
121.10126	10.3
123.04382	0.7
123.08061	1.4
123.11685	9.7
125.05966	0.6
125.09610	4.2
127.03905	1.8
127.11191	0.9
128.06184	0.4
129.05461	31.5
129.07019	1.1
130.05791	0.3
130.07747	0.6
131.08553	4.6
133.04942	1.1
133.06503	0.7
133.10109	6.4
133.11124	0.4
135.04387	0.4
135.08049	1.2
135.11670	8.4
137.05914	0.6
137.09608	0.4
137.13240	4.0
139.03899	2.0
139.07520	0.2
139.11143	0.5
141.05431	0.3
141.06952	0.7
142.07730	0.5
143.03484	0.3
143.08556	3.2
143.10623	0.3
144.09302	0.3
145.04941	4.2
145.06131	0.4
145.10104	5.5
145.11215	0.4
147.04526	0.4
147.06503	9.5
147.07980	0.8
147.11664	5.2
148.06795	0.3
149.09637	1.3
149.13234	4.0
150.13513	0.2
151.07523	0.7
151.11205	0.4
151.14827	0.6
153.05429	0.5
153.09094	0.3
153.12796	0.2
153.52879	0.2
155.08510	0.8
156.09227	0.5
157.04971	1.0
157.10091	2.9
159.08057	0.7
159.11668	5.4
161.06013	0.4
161.09633	1.2
161.13251	3.1
163.03917	0.3
163.06001	2.2
163.07515	1.1
163.11153	1.1
163.14804	2.5
165.05490	0.5
165.07553	0.2
165.09099	0.6
165.12868	0.3
167.07159	0.2
167.08546	0.3
167.10741	0.2
169.04990	0.4
169.10107	1.2
170.10916	0.3
171.06519	2.0
171.11633	2.3
173.04498	0.3
173.09616	0.6
173.13214	3.3
175.07755	0.2
175.11186	1.1
175.14783	2.6
177.09116	1.2
177.12733	0.6
177.16370	1.7
179.07108	0.5
179.10643	0.8
179.14235	0.3
181.04887	0.3
181.10159	0.6
183.06464	0.3
183.11615	1.2
185.13240	1.9
187.06003	0.3
187.14804	4.1
189.05408	0.2
189.09052	0.7
189.12749	0.5
189.16359	3.2
191.10635	1.0
191.14273	0.3
191.17931	5.1
193.12251	1.1
193.19516	0.5
195.06474	0.7
195.11638	1.0
197.13245	0.8
199.05992	0.4
199.14844	1.6
201.12665	0.7
201.16388	3.3
202.16727	0.4
203.10677	0.7
203.14281	0.5
203.17937	2.9
205.12128	0.6
205.15848	0.5
205.19440	0.3
207.06461	0.5
207.13737	0.4
207.17447	0.8
209.13284	0.5
211.14893	1.2
213.07489	0.3
213.12764	0.4
213.16280	1.6
215.14297	0.6
215.17899	1.1
217.07144	0.2
217.12277	0.3
217.15829	0.6
217.19481	1.2
219.13783	0.8
219.21155	0.4
221.15273	0.5
223.14722	0.5
225.07555	4.8
225.16373	0.6
227.14355	0.5
227.17885	0.7
229.15950	1.2
229.19475	0.6
231.13803	0.9
231.17471	0.5
233.15324	0.9
235.16840	0.3
237.16333	0.8
239.17958	0.4
241.15852	0.6
241.19514	0.8
243.08597	3.8
243.13803	0.3
243.17426	0.3
243.20984	0.7
245.15466	1.3
247.16937	1.8
251.18013	0.3
253.19458	0.7
255.17403	0.9
255.20894	1.2
257.15378	0.4
257.19049	0.5
259.16928	0.7
261.09653	2.2
261.18423	0.4
265.19537	0.3
267.15778	2.2
267.20880	0.5
269.18982	0.4
269.22552	0.2
271.16858	0.3
271.20667	0.3
273.18579	1.7
275.20093	0.3
279.10641	1.4
279.21091	0.3
281.22491	0.6
283.20514	0.5
283.24060	0.5
285.18417	0.5
287.20007	0.4
293.22531	0.6
295.20920	0.2
295.24158	0.9
297.22113	0.4
299.19977	0.5
301.21521	0.5
309.22238	0.2
309.25607	0.6
311.23593	0.5
313.21509	0.9
313.25220	1.1
315.23108	2.2
327.23083	0.3
329.20996	0.2
329.24692	0.5
331.26465	0.3
337.25073	0.3
339.23135	0.3
339.26752	0.4
341.24594	0.3
347.22095	0.9
351.26569	0.9
355.26178	0.6
357.24066	0.9
367.26221	0.4
369.27826	4.4
370.28247	0.5
373.27292	1.3
377.31943	1.2
381.27768	0.9
387.28928	0.8
391.28223	0.9
391.33371	0.7
395.33023	0.8
397.30719	0.4
399.28839	0.8
401.31790	0.7
407.33136	0.7
409.34558	1.3
414.11609	0.2
417.29645	0.4
419.33047	4.0
420.32794	0.3
425.34012	0.7
437.34113	12.9
438.34641	1.0
439.35471	0.5
447.28806	0.3
455.35110	7.1
456.35361	0.6
473.36215	4.1
474.36169	0.4
487.35925	0.3
523.32379	0.2
529.35950	0.3
539.33618	2.2
540.33856	0.4
557.34619	0.4
569.38123	0.4
571.35883	0.5
583.39685	0.2
587.39203	1.6
605.40472	4.4
606.40039	0.5
677.38812	0.3
715.43524	0.4
733.45190	4.4
734.44818	0.5
751.46198	6.6
752.45532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86813	0.7
53.03934	1.2
55.05501	10.5
57.03428	4.4
57.07065	33.2
59.04984	1.4
60.24385	0.7
65.03927	1.3
67.05493	43.1
68.05801	0.8
69.03421	0.9
69.07053	10.8
69.59621	1.5
69.60035	5.8
71.01321	0.7
71.04596	1.3
71.04978	17.9
71.08234	1.3
71.08619	22.1
73.02914	0.8
73.06521	1.0
74.73684	0.6
79.05488	9.8
79.69560	0.6
81.03391	1.2
81.07042	75.7
82.07377	1.3
83.04967	3.0
83.08610	13.1
85.02898	3.2
85.06525	9.1
85.10166	13.8
86.09686	1.2
87.04450	5.2
89.05994	1.0
91.05460	14.4
93.06490	0.9
93.07030	10.3
95.01331	1.8
95.04933	1.7
95.08588	25.9
97.02874	1.2
97.06508	3.2
97.10155	6.2
99.08080	1.0
101.31519	0.6
103.03902	0.7
105.07000	7.4
107.08556	8.3
108.93185	0.6
109.06493	1.7
109.10137	15.2
111.08067	2.1
111.11726	1.5
113.02372	1.1
117.06993	2.4
119.08575	1.2
121.10110	3.6
123.08058	0.8
123.11687	16.6
125.02415	0.7
127.03760	0.7
131.03394	0.8
131.08530	2.4
133.10109	13.7
134.10469	0.9
135.11671	2.9
137.13237	1.6
139.11119	0.9
141.01816	3.0
145.10136	0.8
147.11638	0.7
149.09587	0.6
149.13289	3.9
151.11139	6.7
159.11682	3.8
169.12177	1.1
177.12724	2.8
180.92848	0.6
183.13800	2.5
184.07349	1.5
187.13243	6.8
193.12401	0.7
195.13786	1.2
239.23610	3.1
243.15906	4.3
257.17303	1.0
257.24902	1.2
268.25128	0.8
269.17401	6.7
301.20032	18.6
309.13510	0.9
313.27328	33.9
314.27591	1.6
327.14209	3.2
341.26871	1.1
359.16895	0.9
383.16757	1.4
401.18018	3.5
427.19672	1.8
481.38828	100.0
482.39099	6.7
489.30005	0.8
495.40286	2.0
507.40280	11.8
539.42987	68.8
540.43536	3.7
621.39996	1.5
639.40875	4.2
657.41998	4.1
683.43359	2.8
715.46362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.2
53.03937	0.6
55.01856	1.4
55.05499	3.1
57.03426	9.8
57.07063	0.7
59.04990	0.7
61.02914	0.8
65.03918	0.2
67.05491	3.6
69.03415	13.3
69.07055	2.3
69.97135	0.4
69.97551	0.8
70.06569	0.3
71.01337	1.8
71.04977	62.4
72.05322	0.6
73.02900	6.9
73.06559	0.2
75.04464	2.8
79.05472	2.5
81.03413	1.7
81.07038	4.9
83.04964	10.0
83.08587	1.0
85.02888	100.0
85.06538	0.3
86.03226	0.8
86.06060	0.4
87.00823	0.2
87.04462	2.4
89.06038	0.3
91.05455	2.8
93.07023	5.0
95.04954	3.5
95.08588	8.4
97.02871	14.2
97.06505	1.4
97.10163	0.6
97.47660	0.2
99.04437	9.4
99.08073	0.4
101.05990	0.3
103.03954	0.5
103.05455	0.4
103.21271	0.2
105.07006	4.6
107.04942	0.7
107.08569	7.2
108.08924	0.2
109.02884	1.1
109.06498	3.3
109.10134	5.2
109.10859	0.4
111.04420	7.3
111.08054	1.0
111.11761	0.2
113.02390	0.5
113.06006	0.7
113.09565	0.2
114.09129	0.3
114.10289	0.2
115.03906	10.8
117.05475	5.0
117.06953	0.9
119.04921	0.4
119.08556	6.6
121.06487	2.2
121.09232	0.3
121.10117	5.9
123.04424	0.6
123.08043	5.4
123.11679	3.0
125.05961	0.5
125.09615	1.0
127.03902	2.3
127.11181	1.1
128.06165	0.3
129.05452	30.7
130.05792	0.4
130.08636	0.5
131.04909	0.3
131.08548	2.3
133.04933	1.4
133.06493	0.7
133.10103	5.3
135.04370	0.4
135.08031	1.5
135.11674	4.7
137.05952	4.1
137.09589	10.1
137.13190	1.5
138.06343	0.5
138.09937	0.2
139.03857	2.2
139.11205	0.2
141.05440	0.4
141.06905	0.2
141.09105	0.2
142.07788	0.5
143.03378	0.3
143.07018	0.2
143.07443	0.2
143.08545	1.6
143.10706	0.2
144.09314	0.2
145.04935	4.6
145.06512	0.3
145.10088	4.0
147.04419	1.0
147.06499	10.4
147.07965	0.7
147.11670	4.0
149.05971	0.3
149.09563	1.3
149.13220	2.5
151.03908	0.4
151.07501	0.6
151.11151	0.7
151.14748	0.3
153.05441	0.7
153.12698	0.4
155.08557	0.5
155.10669	0.2
157.04967	1.2
157.10104	2.0
159.06757	0.3
159.08051	1.2
159.11662	4.2
161.05945	0.4
161.09554	1.6
161.13216	2.9
163.03955	0.3
163.06020	2.3
163.07494	0.5
163.11185	0.8
163.14798	1.6
165.05455	0.4
165.07713	0.4
165.09149	0.7
165.12772	0.5
167.07008	0.9
167.08420	0.4
167.14368	0.2
169.04942	0.8
169.10083	1.1
171.06499	2.4
171.07916	0.4
171.11644	1.9
173.09596	1.1
173.13205	2.2
175.07463	0.3
175.11148	1.6
175.14803	1.6
177.05476	0.7
177.09119	0.5
177.12712	1.3
177.16325	1.4
179.07013	0.5
179.10646	0.8
179.14296	0.5
181.05000	0.3
181.08578	0.4
181.10091	0.5
182.10931	0.2
183.06427	0.3
183.11621	1.2
185.08128	0.3
185.09621	0.6
185.13235	2.2
187.11119	1.0
187.14792	3.4
187.16330	0.4
188.15604	0.2
189.05421	0.2
189.07561	0.3
189.09126	0.2
189.12740	1.2
189.16356	3.2
191.10652	0.3
191.14355	0.6
191.17920	4.0
193.12181	0.4
195.06485	0.5
195.11591	0.3
197.08119	0.2
197.09651	0.2
197.13196	1.0
199.05974	0.9
199.09636	1.8
199.11154	0.4
199.14816	2.0
201.12766	0.8
201.16380	2.2
203.09154	0.7
203.14311	0.8
203.17903	1.3
205.15889	0.7
207.06514	0.7
207.17424	0.6
209.13269	0.7
211.14822	0.5
213.07460	0.3
213.12721	0.9
213.16316	1.1
215.08958	0.2
215.14253	0.8
215.17862	0.9
217.07227	0.2
217.10660	5.0
217.12582	0.4
217.15874	0.5
217.19548	0.5
219.10123	0.2
219.13789	0.4
223.14799	0.7
225.07535	5.1
225.09660	0.3
225.12755	0.3
225.16370	0.8
227.14270	0.8
227.17990	0.5
229.15981	0.9
229.19533	0.7
231.13797	0.4
231.17458	0.5
233.15413	0.4
237.16374	0.9
239.14307	0.4
239.17999	0.7
241.15897	0.5
241.19385	0.5
243.08611	4.8
243.13771	0.3
243.17535	0.4
243.21063	4.3
245.15398	0.9
247.16988	0.3
251.17943	0.6
253.16078	0.2
253.19524	0.9
255.17485	0.4
255.21057	1.7
257.19043	0.6
261.09616	3.0
263.16348	0.5
265.19464	0.3
267.17477	0.5
267.20987	0.6
269.18997	0.4
269.22589	0.3
271.20535	0.4
273.18399	0.4
273.22150	0.6
277.19461	0.3
279.10632	2.4
279.20999	0.3
281.19116	0.3
281.22824	0.3
283.20615	0.4
283.24081	0.2
293.22537	1.4
295.20520	0.6
297.11197	0.4
297.22226	0.5
299.20212	0.2
301.21622	0.2
307.24124	0.3
309.21979	0.6
311.23666	3.1
311.26993	0.4
312.24182	0.3
313.12793	0.2
313.21567	0.5
313.24866	0.2
315.23209	0.3
323.23700	0.4
323.27319	0.6
325.25220	0.3
329.24600	1.0
337.25262	0.3
337.28867	0.3
339.26810	0.3
347.27472	1.2
349.14944	0.3
349.25235	0.7
353.28488	0.3
357.24084	0.5
363.26700	0.3
365.28311	17.8
366.28601	0.7
367.26358	0.3
375.30637	0.2
383.29370	12.3
384.29865	0.6
389.31937	0.3
393.31723	0.4
401.30457	0.7
405.31570	0.2
407.32925	0.5
411.32535	0.4
417.31381	1.2
423.32617	1.7
425.30292	0.2
435.32596	4.3
441.33487	2.0
453.33533	6.9
471.34598	4.4
479.31500	0.4
497.32703	0.3
515.33289	0.8
515.40753	0.2
573.22565	0.2
603.38623	1.1
661.39404	5.4
662.38995	0.4
663.37024	0.3
679.40283	0.5
707.43060	0.8
727.88617	0.2
731.43317	2.9
749.44299	19.3
750.44751	1.2
771.32489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01863	0.6
55.05508	1.8
55.31669	0.4
57.03429	2.9
57.07069	1.8
59.04985	0.5
61.02917	6.6
67.05492	7.1
68.05833	0.3
68.30127	0.3
69.03423	4.4
69.07063	2.0
71.01345	0.4
71.04985	2.7
71.08611	1.0
71.25417	0.8
73.02911	4.0
73.38038	0.3
79.05481	4.1
81.03401	4.0
81.07042	5.4
83.04964	0.8
83.08629	1.4
85.02896	6.5
85.10162	0.8
87.04464	1.0
91.03946	3.7
91.05458	3.4
93.07026	6.1
95.04964	1.2
95.08595	5.1
97.02880	5.0
97.06557	0.8
97.10178	0.8
99.04446	1.1
99.08067	0.4
101.02373	2.3
103.03975	0.6
105.07040	1.9
107.04992	0.5
107.08595	3.3
107.57771	0.4
109.02866	1.1
109.06500	0.5
109.10147	3.9
111.04426	0.5
115.03945	0.5
117.07030	1.0
119.08535	1.8
121.10124	2.0
123.11711	0.8
125.00015	0.5
125.09702	0.3
127.03893	2.3
130.80643	0.3
131.08571	1.3
133.10139	1.0
135.11656	1.9
137.09624	1.2
145.04977	0.6
145.10144	0.9
147.11694	1.0
149.13229	0.4
149.87506	0.3
161.13249	0.4
163.11160	0.6
173.11745	0.6
175.11176	0.5
184.07384	1.2
185.04243	0.7
193.12271	0.8
200.22412	0.3
203.05273	0.5
209.11768	0.4
222.56593	0.3
233.51640	0.5
239.23741	0.4
243.08334	2.4
253.14037	2.1
255.16092	0.4
267.15787	1.5
283.15427	0.5
301.16449	0.9
309.16528	0.4
313.27328	2.9
314.27704	0.4
335.25882	1.0
357.63937	0.4
367.54544	0.4
427.19489	0.4
441.64380	0.3
471.22040	4.2
493.17719	0.4
505.39099	1.3
519.29279	8.2
521.38525	1.2
539.39587	0.7
557.05023	0.4
749.44348	100.0
750.44873	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	749.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.11148	0.3
55.01858	1.9
55.05497	5.5
57.03423	10.1
57.07066	0.9
59.04990	1.3
61.02906	1.9
65.03617	0.4
65.03939	1.2
67.05492	14.2
69.03416	12.7
69.07053	8.9
70.06575	1.0
71.01342	2.2
71.04977	63.3
71.79885	0.6
73.02895	8.6
75.04469	4.3
79.05465	6.2
81.03401	3.2
81.07038	19.4
82.07355	0.5
83.04961	12.9
83.08616	2.5
85.02886	100.0
85.06503	1.1
86.03226	0.7
86.06052	0.5
87.00819	0.4
87.04453	2.9
91.05457	7.2
93.07027	14.0
95.04945	4.5
95.08588	17.6
97.02872	14.6
97.03516	0.5
97.06502	1.8
97.10153	0.9
99.04431	8.3
99.08070	0.5
101.06001	1.0
103.03925	1.1
105.07005	15.6
107.04920	1.2
107.08572	16.5
109.02837	1.7
109.06503	2.2
109.10133	34.1
111.04415	9.7
111.08051	1.2
111.11719	0.4
113.02377	0.6
113.06003	0.6
113.09666	0.4
115.03908	8.6
117.05464	3.7
117.06984	1.9
119.04890	0.5
119.08560	16.4
121.06460	1.7
121.10121	14.0
122.48210	0.4
123.04422	1.3
123.08064	2.7
123.11681	11.3
125.05958	1.0
125.09581	1.2
127.03899	2.9
127.07603	0.4
127.11115	0.4
128.06149	0.5
129.05453	25.8
129.06862	1.8
130.05762	0.5
130.07768	0.5
130.08611	2.1
131.04944	0.5
131.08543	7.6
133.04927	1.4
133.06468	0.8
133.10094	12.6
135.04387	0.6
135.08034	2.5
135.11665	7.9
137.05925	2.1
137.09579	1.2
137.13214	1.6
139.03860	2.1
139.07480	0.9
139.11150	0.5
141.06950	0.5
142.07735	0.7
143.07457	0.5
143.08525	4.0
144.09296	0.8
145.02844	0.8
145.04936	3.5
145.05994	0.5
145.06461	0.4
145.08940	0.6
145.10095	11.8
147.04361	1.4
147.06493	7.8
147.07938	1.1
147.11655	9.4
149.05963	0.5
149.09604	1.4
149.13225	7.8
151.03847	0.4
151.07494	1.6
151.11151	1.6
151.14749	1.0
153.05406	0.9
153.09099	0.6
155.08510	1.7
156.09338	0.6
157.04929	1.2
157.10103	5.7
159.07982	1.1
159.10335	0.7
159.11658	9.9
161.05917	0.6
161.09563	1.6
161.13229	9.2
163.03844	1.0
163.05957	2.1
163.07495	2.1
163.11130	1.7
163.14803	2.7
165.05431	0.6
165.09001	0.8
165.12714	0.5
167.06999	0.9
167.10640	0.8
169.04913	0.6
169.10042	2.6
170.10884	0.5
171.06529	1.9
171.07800	0.4
171.11658	5.2
173.08090	0.6
173.09557	1.2
173.13225	8.0
175.07394	0.5
175.11148	1.7
175.14778	6.4
177.05418	1.3
177.09108	1.9
177.12793	0.8
177.16376	2.5
179.06998	0.5
179.10591	1.6
181.10066	0.7
183.11604	2.6
185.09599	0.7
185.13203	5.2
187.06009	0.5
187.11104	1.0
187.14777	8.1
188.15036	0.4
189.09058	1.2
189.12750	0.7
189.16379	4.4
191.10590	1.6
191.14166	0.6
191.17880	3.6
193.12221	0.8
193.15768	0.5
195.11694	1.0
195.13643	0.9
197.13237	2.2
199.05986	0.5
199.11134	0.5
199.14751	3.7
201.09044	0.7
201.12798	0.9
201.16344	5.6
203.10576	0.9
203.14241	1.3
203.17889	2.0
205.12230	0.9
205.15837	1.9
207.06519	0.6
207.11647	0.8
207.13657	0.9
207.17422	2.1
209.13153	1.1
211.14787	1.9
213.07365	0.5
213.12746	0.7
213.16299	2.7
215.14259	1.3
215.17909	2.4
217.12213	0.8
217.15747	0.9
217.19478	0.8
219.13744	1.5
219.17345	0.7
221.15286	0.8
223.14809	1.0
225.07486	3.4
225.16277	1.4
227.14214	0.7
227.17834	1.7
229.12222	0.5
229.15829	0.7
229.19373	0.5
231.13710	2.1
233.15286	1.9
233.18893	0.5
235.16949	0.9
237.16306	0.9
239.17834	1.1
241.19453	1.2
243.08594	2.8
243.13757	0.4
243.20993	0.5
245.15308	3.4
247.16888	5.2
251.17911	0.6
253.15863	0.6
253.19374	0.9
255.20905	0.5
257.15356	1.0
259.16873	1.0
259.20499	0.9
261.09625	1.5
263.17831	0.7
265.19510	0.7
267.20981	0.9
271.16855	1.1
271.20352	0.4
273.18549	1.8
275.20056	0.4
279.10712	1.4
279.21005	0.5
281.22543	0.8
283.17026	0.4
283.20370	0.8
285.18677	0.5
291.21008	0.7
293.22656	0.5
297.18600	0.4
299.19882	0.6
301.21393	1.0
303.23102	0.9
304.23514	0.8
307.24106	0.9
309.22137	0.9
309.25699	0.7
311.19946	0.7
313.21460	1.5
313.24976	0.5
321.25534	0.7
325.21533	0.5
325.25275	0.6
327.23050	3.2
329.20935	0.5
335.27252	1.3
337.25122	0.6
339.23071	0.6
349.24930	0.9
349.28781	0.6
355.26135	1.2
363.30396	0.6
367.26190	6.3
375.30249	0.7
377.27777	0.6
379.26083	0.8
381.27597	0.5
385.27310	2.8
393.31592	2.4
395.29425	4.6
403.28143	0.5
405.31100	0.8
407.32971	0.9
411.32544	3.2
417.31042	1.6
423.32178	3.5
425.33972	0.5
435.32532	9.7
447.32111	0.4
453.33575	7.7
471.34647	16.4
472.34506	0.5
483.34024	0.6
523.33624	0.5
527.34338	0.5
530.31445	0.4
543.35980	0.4
545.35760	1.2
549.35065	0.8
563.37054	2.0
567.36328	0.5
581.37640	1.4
603.37994	1.4
626.26013	0.4
726.84558	0.4
749.44403	7.2
750.43866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01851	1.3
55.05503	4.4
55.15065	0.2
57.03427	10.5
57.07053	0.8
57.74280	0.2
59.04989	1.0
61.02929	1.3
61.03213	0.3
65.03926	4.0
67.05495	7.2
69.03415	6.4
69.07057	5.1
69.81216	1.4
70.06555	0.4
71.01337	1.4
71.04979	60.4
72.05303	0.5
73.02899	4.1
75.04466	5.8
77.03906	0.5
79.05477	7.3
81.03400	2.3
81.07040	11.0
83.01299	0.3
83.04556	0.2
83.04933	6.0
83.08599	2.3
85.02889	100.0
85.06528	0.3
86.03239	0.5
86.06066	0.4
87.04459	3.2
91.03949	0.5
91.05462	23.5
92.06258	0.3
92.74531	0.3
93.07027	9.9
94.04177	0.5
95.04956	3.1
95.08586	9.0
95.09184	0.6
97.02302	0.5
97.02877	6.7
97.06507	0.7
97.10136	0.9
98.20745	0.3
99.04449	3.5
101.02361	0.3
101.06007	0.9
103.03922	1.1
103.05467	0.7
105.07011	14.1
107.04951	2.9
107.08572	71.9
108.08937	0.7
109.02850	1.3
109.06496	28.3
109.10135	23.5
110.06799	0.4
111.04423	5.6
111.05144	0.5
111.08076	0.6
111.11720	0.6
113.02319	0.4
113.06023	0.3
115.05419	0.6
116.06189	0.7
117.05470	2.1
117.07002	1.1
119.04942	0.4
119.06050	2.3
119.07710	0.6
119.08559	11.3
121.06483	36.7
121.10120	16.0
122.06795	0.4
123.04426	0.6
123.08039	1.8
123.11676	4.0
125.05919	0.3
125.09613	0.5
127.03888	4.3
129.05455	28.2
129.07018	0.9
131.08533	3.1
133.06538	0.4
133.07523	0.3
133.09154	0.5
133.10112	7.4
135.04427	0.4
135.08051	1.7
135.11667	8.6
137.05943	2.5
137.09581	0.5
137.13208	2.0
139.03867	0.6
139.11177	0.3
143.08527	1.1
145.02756	0.3
145.04938	2.6
145.05989	0.3
145.06454	0.2
145.10104	3.6
147.04556	1.3
147.06494	11.7
147.07755	0.6
147.11647	4.3
148.11215	0.3
148.79099	0.2
149.09589	76.0
149.13193	4.8
150.09938	0.9
151.03844	0.6
151.11168	0.8
151.14775	0.4
153.05429	0.4
156.09245	0.3
157.10110	1.9
159.11662	4.1
161.09593	0.9
161.13225	4.4
163.06023	2.4
163.07350	0.4
163.11179	1.7
163.14786	2.3
165.07643	0.4
165.12741	0.4
167.06967	0.4
169.04948	0.6
169.10043	0.4
171.06496	0.6
171.11638	1.7
171.25595	0.3
173.09534	0.4
173.13240	3.3
175.03941	0.4
175.05934	0.3
175.11182	0.9
175.14784	4.5
177.05356	0.5
177.12822	0.6
177.16399	1.0
179.14320	0.6
183.11653	0.5
185.13249	1.1
187.11169	0.5
187.14821	3.3
189.12724	0.8
189.16345	4.6
191.14314	1.0
191.17914	11.8
192.18329	0.3
197.13252	0.6
199.14807	2.3
201.16368	2.6
203.14302	0.8
203.17940	2.1
205.15858	0.3
205.19524	0.5
207.06482	1.0
207.17365	0.6
211.14822	0.6
213.16345	3.2
215.17917	1.9
217.13983	0.3
217.15784	1.4
217.19460	0.8
219.17339	0.4
225.07443	0.4
225.16306	0.5
227.17987	1.0
229.15947	1.2
229.19528	0.7
231.08569	0.4
231.17413	2.6
231.21136	0.5
233.18878	0.3
237.07625	0.4
239.17957	0.4
241.19543	0.9
243.17451	0.3
243.20976	0.7
245.18887	0.4
255.08546	1.3
255.21100	1.1
257.22589	3.3
269.22809	0.5
271.24158	0.7
273.09668	0.6
273.22049	0.3
281.22610	0.5
285.22073	0.3
295.24170	1.0
297.25790	0.8
299.23697	0.7
309.11832	0.4
313.24927	1.3
315.26758	5.8
323.27203	0.5
339.26938	0.4
353.28351	0.8
357.28183	0.3
365.28406	0.8
377.98071	0.3
379.33627	1.5
393.35016	0.4
403.33441	2.6
421.28922	0.5
421.34592	9.1
439.35669	4.4
639.36786	0.5
729.44867	0.4
743.88818	0.3
747.46643	48.0
748.46472	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	747.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01859	1.4
55.05495	5.6
57.03424	10.2
57.07072	0.9
59.04985	0.9
61.02913	3.0
65.03924	4.3
67.05493	8.2
67.05833	0.6
69.03414	7.8
69.07056	5.5
70.06589	1.6
70.98415	1.2
71.01350	1.5
71.04977	58.9
72.08155	0.5
73.02901	4.9
74.65962	0.3
75.04465	6.0
75.22825	0.4
77.03872	0.5
79.05478	9.7
81.03400	4.6
81.07038	15.6
83.04243	1.0
83.04491	0.5
83.04929	6.7
84.08135	0.6
85.02888	100.0
85.06525	0.6
86.03200	0.5
86.06082	0.9
87.04451	3.3
91.03939	1.7
91.05460	24.6
93.07030	11.4
94.04195	0.6
94.57141	0.5
95.04955	4.7
95.08588	10.7
96.08125	0.4
97.02876	7.2
97.06518	1.5
97.10150	0.9
99.04448	3.9
101.06009	1.1
103.03929	1.3
103.05437	1.0
105.04517	0.5
105.07011	14.7
106.04056	0.4
107.04948	4.0
107.08572	76.6
108.08883	0.9
109.02862	3.0
109.06495	26.5
109.10133	22.9
110.02380	0.4
111.04411	6.7
111.08076	1.1
111.11736	0.7
112.57215	0.4
113.06001	0.6
114.09173	1.6
115.03893	0.5
115.05424	1.0
116.06239	1.0
116.09454	0.4
117.05494	2.1
117.07004	1.5
119.04940	1.1
119.06043	1.8
119.08554	12.4
121.06483	34.3
121.10118	18.6
122.06866	0.4
123.08060	2.4
123.11681	4.5
125.05946	0.6
125.09638	0.7
127.03892	6.0
129.05452	29.8
129.06992	1.4
130.08679	1.0
131.04953	0.7
131.08524	4.9
133.06438	1.4
133.10104	9.6
135.04375	0.8
135.08011	2.2
135.11658	8.3
137.05937	3.5
137.13257	2.2
139.03851	0.6
139.11174	0.4
141.05472	0.4
142.07695	0.8
143.08499	1.3
145.02869	0.5
145.04906	2.9
145.06516	0.7
145.10110	5.1
147.04449	3.7
147.06490	12.0
147.07840	0.7
147.11659	7.4
149.09589	72.6
149.13200	4.9
150.09973	1.1
151.03880	0.6
151.07579	0.5
151.11163	1.0
151.14705	0.5
153.05478	0.5
153.12654	0.5
157.10117	2.8
159.08046	0.6
159.11673	5.5
160.09689	0.9
161.05957	0.8
161.09630	1.2
161.13231	4.7
163.03876	1.2
163.05988	1.9
163.07416	0.9
163.11136	2.2
163.14804	2.6
165.12717	0.8
167.06987	1.8
169.04976	0.6
169.10037	0.7
171.06546	0.7
171.11653	2.0
173.05911	0.5
173.13229	4.1
175.03902	1.2
175.07494	0.6
175.11154	1.1
175.14793	4.9
177.05429	1.8
177.12730	0.9
177.16365	1.4
179.06943	0.5
179.31895	0.4
181.10165	0.4
183.11678	0.6
185.13225	1.6
187.14784	4.5
189.12802	0.7
189.16388	4.9
191.14272	1.0
191.17906	14.2
193.12143	0.9
195.06631	0.5
197.13187	0.8
199.14772	2.8
201.12730	0.5
201.16327	2.7
203.14311	0.6
203.17902	2.8
205.19408	0.5
207.06496	1.8
207.17438	1.3
211.14699	0.7
213.07480	0.6
213.16362	4.2
215.14389	0.5
215.17926	1.7
217.15816	1.5
217.19530	1.2
219.17467	0.7
225.16331	0.6
227.17973	0.7
229.15883	1.0
229.19548	0.8
231.17400	3.3
241.19456	1.0
243.08060	0.6
243.17493	0.5
243.21074	0.7
245.18855	0.6
247.13242	0.6
255.08626	1.2
255.20979	0.7
257.22589	3.5
271.24136	0.6
273.09564	0.6
281.22617	0.7
283.15170	0.7
283.24191	0.6
287.23706	0.5
295.24127	1.2
297.25696	1.0
299.23553	0.7
301.89572	0.4
313.25079	1.0
315.26767	6.0
339.26697	0.5
363.30630	0.5
365.28369	1.0
379.33548	0.9
393.35043	0.5
397.34579	0.5
403.33286	2.8
421.34586	11.4
437.12659	0.4
439.35724	5.7
440.36005	0.4
443.18814	1.0
469.20679	0.5
487.21185	1.8
501.23026	2.9
691.39050	0.5
729.45563	0.8
747.36737	11.5
747.46045	41.3
748.36200	1.3
748.46393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39319	0.3
53.03933	1.5
55.01865	1.1
55.05499	5.2
57.03150	0.6
57.03430	11.4
57.07059	0.8
59.04996	0.9
61.02915	1.5
65.03933	4.5
67.05495	9.4
69.03042	0.4
69.03418	7.1
69.07056	6.2
70.06587	0.4
70.11701	0.3
71.01344	1.3
71.04983	61.0
71.79979	0.5
73.02907	4.9
74.50082	0.4
75.04468	7.0
77.03969	0.5
79.05482	8.6
81.03400	2.9
81.07044	11.5
83.04942	6.0
83.08604	2.5
85.02895	100.0
86.03220	0.4
87.04453	3.3
88.96587	0.4
91.03945	0.6
91.05467	23.5
93.07035	11.1
94.04182	0.6
95.04958	3.0
95.08597	11.2
97.02245	0.5
97.02880	7.5
97.06522	1.2
97.10170	1.1
99.04446	3.0
101.06014	1.0
103.03964	1.1
103.05477	1.3
105.07018	15.9
107.04943	3.3
107.08580	74.0
108.08913	0.5
109.02884	1.3
109.06503	28.5
109.10144	23.5
111.04433	6.0
111.08070	0.6
112.51192	0.4
115.05437	0.7
116.06236	0.6
117.05473	2.7
117.07039	1.1
118.59261	0.5
119.06063	2.1
119.08566	11.3
121.06493	38.5
121.09252	0.7
121.10130	16.8
123.08035	2.2
123.11707	3.7
127.03908	4.9
129.05461	31.0
129.07019	0.9
131.08556	4.2
131.65448	0.4
133.06593	0.4
133.10098	8.4
135.08020	1.9
135.11679	8.3
137.06001	0.7
137.09624	0.6
137.13249	1.8
139.03925	0.7
143.08603	1.1
145.04922	2.8
145.10117	4.3
147.04491	1.1
147.06512	11.0
147.11673	4.8
149.09599	78.1
149.13219	4.5
150.09949	0.9
151.03966	0.7
151.11189	1.0
151.14764	0.5
153.12813	0.4
157.10107	2.1
159.11694	3.5
161.09608	1.1
161.13248	4.1
163.06027	2.0
163.11183	2.1
163.14818	1.8
165.07573	0.4
165.12752	0.4
169.04994	0.4
171.06538	0.8
171.11700	2.0
173.09669	0.4
173.13220	3.6
175.11195	1.0
175.14786	4.5
177.05501	0.8
177.16374	1.0
179.14314	0.5
181.08525	0.4
181.10030	0.5
183.11752	0.6
185.13234	1.5
187.14801	3.8
189.12822	0.7
189.16345	5.6
191.14333	0.6
191.17917	10.6
195.11757	0.5
197.13345	0.7
199.06146	0.5
199.14766	1.8
201.12914	0.5
201.16357	3.0
203.14410	0.6
203.17909	3.1
205.19560	0.6
207.06444	0.5
207.17514	1.0
209.13242	0.5
211.14786	0.6
213.16402	3.0
215.14311	0.6
215.18002	1.3
217.12325	1.4
217.15944	1.3
217.19566	0.9
219.17351	0.4
227.17917	1.1
229.07318	0.4
229.15904	1.6
229.19530	1.0
231.17343	2.2
239.18005	0.6
241.19525	0.7
243.21184	0.6
245.18925	0.4
253.19557	0.5
255.08678	0.9
255.21162	1.0
257.22592	3.4
267.36569	0.4
269.22690	0.5
271.20688	0.5
271.24237	1.0
281.22745	0.7
295.24298	0.9
297.25906	1.0
299.23874	0.6
309.11896	0.5
313.25433	1.3
315.26804	5.3
315.30203	0.5
353.28210	0.5
365.28149	0.6
379.33624	1.2
403.33575	2.6
421.34628	9.3
439.35764	5.5
493.85626	0.4
639.36487	0.5
691.40240	0.5
747.36609	2.2
747.46692	50.5
748.46777	2.2
759.54498	0.5
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
53.03939	0.7
55.01854	0.9
55.05506	2.2
57.03434	2.0
61.02639	0.6
61.02919	6.0
62.97313	0.3
63.08942	0.3
67.05499	4.7
69.03420	3.5
69.07056	1.6
71.04994	0.8
71.80424	0.7
73.02908	4.5
79.05479	4.1
81.03405	4.2
81.07044	4.9
83.08619	1.4
85.02893	8.0
85.06541	0.4
86.09695	0.4
87.04457	0.5
91.03951	3.1
91.05470	3.5
93.07027	4.3
94.78759	0.3
95.04971	2.1
95.08587	3.6
97.02881	5.0
97.10171	0.4
99.04475	0.8
99.08051	0.4
101.02354	2.5
105.07029	2.7
107.04922	0.7
107.08561	2.3
109.02857	1.0
109.06529	0.7
109.10136	1.9
110.71649	0.4
111.08073	0.5
115.03934	0.5
119.08577	1.8
121.10126	1.8
123.08090	0.4
123.11691	0.6
125.00026	0.6
127.03923	1.9
129.05472	0.4
129.06946	0.7
131.08551	1.6
133.10141	1.5
135.11691	1.1
142.07799	0.5
145.10124	0.8
147.11682	1.2
149.09561	0.6
157.10170	1.2
173.13277	0.4
175.11116	0.9
184.07381	1.4
185.04247	0.9
193.12175	1.6
211.13309	0.6
243.08347	2.1
251.12605	1.3
292.49094	0.4
307.15536	0.4
335.25977	0.9
469.20404	8.7
469.26743	0.5
494.46329	0.4
519.29242	4.8
546.19385	0.4
575.23181	0.5
747.42786	100.0
748.43036	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	747.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01856	0.6
55.05505	1.2
57.03431	2.3
59.05015	0.2
61.02603	0.4
61.02917	6.7
67.05495	6.2
69.03423	4.0
69.07057	1.7
69.59177	1.6
70.06591	0.2
71.01353	0.4
71.04981	0.6
71.08610	0.2
73.02907	5.3
77.02697	0.2
79.05477	4.1
81.03411	3.8
81.07043	6.1
83.08614	1.3
85.02891	7.1
86.09722	0.3
87.04456	0.7
91.03942	4.3
91.05471	3.8
93.07027	5.3
95.04961	1.3
95.08591	4.5
97.02880	5.4
97.06516	0.4
97.10139	0.4
99.04432	1.1
99.08098	0.2
101.02365	2.4
103.03967	0.5
105.07018	2.5
107.04961	0.3
107.08570	2.5
109.02827	1.0
109.06511	0.4
109.10134	2.1
111.08099	0.6
115.03911	0.5
117.06976	0.4
119.08563	1.9
121.10119	2.2
123.08070	0.4
123.11713	0.4
125.00080	0.3
125.09634	0.3
127.03901	2.0
129.07008	0.4
131.08521	1.2
133.10120	1.4
135.11699	1.3
137.09706	0.2
137.13194	0.2
145.04980	0.5
145.10114	0.7
147.11658	1.1
149.09612	0.4
149.13260	0.6
157.10133	0.5
159.11707	0.4
161.13297	0.3
171.11775	0.2
173.13278	0.4
175.11180	0.6
184.07375	0.7
185.04163	0.8
193.12288	0.7
203.05333	0.5
211.13261	0.3
216.62997	0.2
243.08344	2.5
243.75406	0.2
251.12454	1.8
261.22162	0.4
307.15152	0.2
335.25821	0.9
345.99252	0.2
413.38840	0.2
457.72641	0.2
469.20316	4.3
469.26627	0.3
470.21054	0.2
519.29272	7.8
520.29523	0.3
633.43457	0.2
747.42780	100.0
748.43066	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	745.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	0.8
55.05494	0.3
57.03419	0.7
61.02895	0.2
65.03922	1.7
67.01849	0.2
67.05480	1.0
69.03423	1.5
69.07062	0.3
70.06570	0.7
71.04984	0.4
71.79610	0.2
72.59901	0.2
73.02906	0.3
74.09701	0.4
79.05475	1.3
81.03412	1.5
81.07054	0.8
83.04964	0.5
83.08607	0.3
85.02885	1.9
85.06507	0.3
86.09696	0.2
86.83866	0.2
91.05465	14.2
92.05820	0.3
93.03400	0.2
93.07036	0.6
95.04949	1.1
95.08567	0.4
97.02885	0.8
99.04459	0.4
102.79868	0.2
103.03909	0.6
103.05464	0.3
105.03377	0.3
105.07014	0.9
107.04935	49.5
107.08569	0.4
107.89889	0.2
108.05270	0.4
109.02867	0.8
109.06501	0.3
109.10123	0.3
111.04440	0.5
114.09143	0.3
115.05451	0.6
115.90468	0.2
117.03366	0.3
117.07021	0.8
119.04922	29.4
119.08553	0.5
120.05264	0.3
121.02853	0.9
121.06492	0.5
121.10085	0.4
123.04368	0.5
125.02320	0.2
125.09581	0.2
127.03893	0.7
129.06941	0.4
130.08589	0.3
131.04924	1.5
131.08553	0.4
132.05646	0.2
133.06465	1.9
133.10144	0.3
135.04401	0.9
137.05957	2.6
139.03908	0.3
141.06949	0.2
143.54343	0.2
144.05714	0.3
145.02818	0.7
145.05009	0.2
145.05356	0.3
145.06451	1.9
145.10121	0.3
147.04379	100.0
148.04697	1.1
148.11214	0.2
148.83307	0.2
149.02306	0.2
149.05951	1.2
151.03871	1.0
151.07471	0.2
153.06915	0.2
157.06477	1.0
157.10037	0.2
159.03177	0.2
159.04387	1.5
159.08008	0.4
159.11662	0.2
161.05937	1.4
163.03864	3.3
163.07509	0.4
165.05447	0.6
165.06830	0.2
167.07010	1.2
169.06366	0.4
169.10187	0.2
171.04373	1.9
171.07916	0.3
173.02350	0.3
173.05936	0.8
175.03864	2.2
175.07501	0.3
177.01762	0.2
177.05428	1.4
181.04922	1.1
181.06447	0.4
183.04358	0.2
183.07904	0.2
185.05969	0.9
187.03900	1.4
187.07510	0.7
187.42361	0.2
189.05435	6.8
189.07135	0.3
189.09048	0.2
191.03394	0.4
191.06956	0.3
193.04930	2.0
195.08171	0.2
197.06036	0.4
199.07524	0.4
201.05452	1.0
201.09167	0.2
203.07050	0.4
205.04912	3.6
207.06471	1.2
208.06902	0.2
209.06009	0.3
211.05826	0.2
211.07558	0.2
213.05380	1.4
215.06960	0.2
217.04959	2.8
219.02885	0.3
219.06522	0.5
219.10123	0.3
223.05904	0.3
225.05522	0.5
227.06952	0.7
229.04910	1.1
229.14291	0.2
231.06412	1.5
235.05905	2.4
237.05429	0.4
241.04977	0.6
243.06525	0.9
245.04311	0.2
245.08118	0.3
247.05754	1.5
249.11255	1.6
251.06880	0.4
253.04843	0.3
255.06493	1.0
259.05960	2.7
263.06891	0.4
265.08649	0.2
267.06433	0.3
267.15848	0.4
271.05850	1.5
273.07504	0.8
277.06934	0.3
279.06537	0.4
279.10809	0.2
281.08075	0.3
283.05948	1.2
287.09125	0.8
289.06857	0.4
291.08621	0.6
293.08072	0.5
295.09726	0.2
297.07516	0.4
299.09125	1.6
301.07031	1.1
303.06561	0.2
305.08139	0.6
307.06006	0.2
307.09558	0.4
309.09711	4.0
311.05695	0.3
311.09070	2.1
313.07187	0.3
317.10455	1.1
321.07526	1.1
321.11194	0.3
323.09100	1.4
325.06912	0.4
329.09973	0.6
331.09515	0.3
333.07480	0.3
335.09201	0.9
337.06824	0.2
339.08438	0.4
339.12350	0.3
341.10205	4.5
347.09259	0.3
351.08438	0.2
353.10080	2.1
359.08896	0.5
363.08490	1.2
365.10135	3.1
367.07999	0.5
377.10181	2.5
383.11182	1.9
387.09042	0.3
387.14273	1.0
389.10193	1.1
395.11221	2.3
401.12057	0.7
405.09659	0.7
407.11185	2.0
413.12045	0.5
419.12500	1.0
423.10614	0.5
425.12158	1.7
431.13382	1.0
441.13208	0.2
443.13513	1.3
445.12604	0.4
449.12213	1.0
455.10873	0.4
457.12546	0.5
461.13483	1.1
467.13269	0.6
469.12747	3.7
473.12064	0.8
475.13708	0.7
479.13602	0.7
483.13837	0.2
483.16858	0.2
485.14008	0.8
487.13760	1.2
491.13226	0.6
492.80997	0.2
493.28000	0.2
497.14587	0.9
505.13736	0.4
507.13922	0.3
509.14246	0.9
511.13971	2.7
523.13519	0.4
524.06079	0.2
527.15753	1.0
529.14935	0.6
535.13379	0.4
541.14777	0.6
545.16357	0.6
553.15015	1.6
559.15948	0.2
563.17261	0.3
571.15997	1.5
577.16486	0.5
589.16888	1.8
595.17859	1.0
604.22375	0.4
607.17377	0.5
622.23877	0.3
643.18561	0.4
655.18243	0.3
661.18616	0.5
673.18091	0.3
741.66315	0.2
744.40460	0.2
745.29852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01860	0.6
57.03423	0.4
61.02911	0.4
64.77139	0.2
65.03918	1.3
69.03426	1.2
69.63952	1.6
70.06600	0.4
71.04971	0.2
76.03201	0.2
79.05479	0.7
81.03414	0.8
81.07038	0.2
84.08069	0.2
85.02882	1.0
85.64922	0.2
89.03892	0.3
91.05466	10.8
93.07018	0.3
95.04951	1.1
97.02891	0.6
98.20679	0.4
99.04415	0.2
103.03924	0.3
103.04833	0.2
103.05464	0.4
105.03348	0.2
105.07011	0.7
107.04937	54.0
108.05271	0.5
109.02870	0.6
111.04486	0.2
115.05425	0.3
117.03310	0.2
117.07002	0.5
119.04922	27.7
120.05213	0.2
121.02872	0.8
121.06487	0.7
123.04400	0.4
124.07543	0.3
127.03894	0.6
129.06978	0.3
131.04887	1.4
131.08524	0.2
133.06474	2.0
133.10123	0.3
135.04379	0.7
137.05943	0.9
139.03874	0.2
141.06935	0.2
143.04866	0.2
145.02811	0.6
145.06453	1.5
147.04381	100.0
148.04726	1.6
149.05960	1.0
151.03876	1.1
151.07564	0.2
155.05925	0.2
157.06480	0.7
159.04379	1.0
159.07951	0.5
161.05951	0.7
163.03882	4.4
165.05428	0.6
165.06911	0.2
167.03242	0.1
167.07019	0.4
169.06352	0.2
171.04373	2.3
171.08064	0.2
173.05933	0.6
175.03882	1.8
175.07542	0.3
177.01886	0.2
177.05450	0.9
181.04916	1.0
181.06479	0.4
183.08020	0.2
185.05934	0.7
187.03897	1.4
187.07469	0.7
189.05432	6.5
191.03317	0.5
193.04906	1.5
197.05974	0.3
199.03857	0.5
199.07545	0.3
201.05447	0.8
203.03433	0.3
203.07030	0.4
205.04936	5.3
207.02921	0.2
207.06485	0.6
211.03990	0.4
211.05977	0.5
213.05481	1.7
215.03377	0.3
215.06955	0.3
217.04935	3.5
219.02890	0.3
219.06502	0.5
219.10208	0.2
221.04308	0.2
223.05896	0.2
225.05476	0.5
227.07013	0.6
229.04834	1.2
231.06441	1.7
233.11649	0.2
235.05943	3.1
237.05463	0.3
241.04869	0.6
243.06508	0.7
245.07991	0.3
247.05882	1.3
249.11191	2.5
251.06963	0.3
253.04886	0.4
255.06491	0.9
259.05951	2.8
265.08624	0.5
271.05881	1.2
273.07510	0.7
274.06540	0.2
275.09094	0.5
277.07025	0.5
279.06595	0.2
279.11115	0.2
281.07932	0.4
283.05887	1.1
287.09134	0.7
289.07315	0.3
291.08591	0.9
292.07367	0.2
293.08145	0.5
297.07547	0.5
299.09073	2.0
301.06937	0.9
305.08075	0.4
307.05780	0.3
307.09439	0.4
309.09689	6.9
311.05887	0.3
311.09186	2.5
313.06894	0.4
317.10385	1.6
321.07507	1.2
323.09061	1.4
329.10089	0.5
333.07477	0.3
335.09177	1.2
337.06903	0.3
339.08478	0.4
341.10181	5.8
343.08389	0.4
345.07343	0.3
349.07007	0.3
349.10809	0.3
351.08536	0.3
353.10138	2.2
359.08713	0.2
363.08588	1.4
365.10110	4.0
367.08109	0.4
371.11279	0.3
375.08316	0.2
377.10162	2.0
383.11209	2.2
387.08344	0.3
387.14102	0.6
389.10062	1.3
395.11191	2.1
401.12354	1.0
405.09656	0.8
407.11288	2.3
419.13235	1.9
423.10812	0.3
425.12277	1.9
431.13388	1.0
441.12738	0.3
443.13379	1.6
445.12601	0.4
447.10892	0.2
449.12225	0.8
455.11624	0.2
457.12659	0.6
461.13223	0.6
467.13290	0.4
469.12778	4.6
473.12030	0.6
475.13614	0.8
479.13440	0.3
483.13498	0.4
485.13904	0.4
487.13583	1.5
491.13245	0.3
495.13818	0.4
497.14047	0.7
505.14279	0.4
509.14481	0.8
511.13858	3.5
523.13849	0.5
525.15247	0.4
527.15106	0.5
529.14600	0.8
535.13464	0.7
541.14539	0.7
543.16681	0.2
545.16589	0.3
553.14941	1.9
557.14270	0.3
561.17236	0.2
571.15857	1.7
577.16663	0.4
589.16785	2.1
595.17688	0.8
607.17505	0.8
625.17334	0.3
643.17438	0.5
661.18530	0.4
669.89014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01867	1.3
55.05499	12.8
57.03422	6.5
57.07064	2.1
59.04986	3.1
61.02915	3.2
65.03923	3.5
67.05492	94.9
68.05820	1.1
69.03425	2.2
69.07056	15.3
69.27602	0.7
71.04980	22.2
73.02885	0.9
73.22885	0.7
77.90437	0.7
79.05477	35.2
81.03410	4.5
81.07043	43.8
83.04956	4.3
83.08595	9.5
85.02889	4.9
85.06519	3.6
91.03960	1.0
91.05467	22.4
93.07027	45.1
94.07335	1.0
95.04961	5.7
95.08592	34.4
97.02889	2.7
97.06516	5.7
97.10165	2.7
99.08095	2.0
105.04478	0.8
105.07005	13.8
107.04900	0.8
107.08575	22.6
108.08926	0.7
109.06498	2.3
109.10137	67.6
110.10491	1.3
111.08074	3.5
117.07008	5.8
119.08564	21.2
121.10128	18.4
121.10966	1.5
123.08050	1.5
123.11700	4.1
125.09592	1.1
129.06985	1.7
131.08537	7.8
133.10104	7.2
135.11670	18.9
137.09587	11.3
139.11163	2.1
145.10101	8.7
147.11652	5.5
149.09662	0.7
149.13274	3.5
151.11098	0.8
155.10655	3.0
157.10121	1.7
159.11676	3.7
161.13277	2.7
163.11122	3.8
163.14798	1.1
165.12660	0.8
169.12283	1.1
171.11664	1.6
173.11739	8.0
173.13269	3.8
175.11159	0.8
175.14822	1.6
181.12195	1.5
184.07332	2.2
185.13228	1.2
187.13382	1.4
187.14856	1.7
199.14912	0.8
201.16351	0.7
213.14815	3.0
229.14275	1.0
241.19505	0.8
243.15790	3.5
243.21123	1.3
255.15862	3.6
259.20642	1.9
261.22055	2.7
267.15948	0.9
285.16882	2.0
287.18460	28.5
317.24686	1.8
335.21786	1.6
335.25732	26.7
336.26169	0.8
337.27277	3.3
379.29901	1.3
397.31366	2.1
423.32413	1.6
461.33307	0.8
471.34540	4.8
489.35681	100.0
490.36163	3.6
497.36380	2.1
503.37271	4.2
515.37195	22.0
529.38501	2.2
533.38574	0.9
547.39850	87.5
548.39923	2.5
744.45831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01862	1.0
55.05503	13.1
56.45422	0.6
57.03431	7.9
57.07069	2.7
59.04984	1.9
61.02908	4.1
64.06776	0.7
65.03931	2.6
67.05493	97.4
67.50889	0.7
68.05833	0.9
69.03419	2.6
69.07059	13.4
71.04981	20.9
71.48458	1.4
73.02891	0.8
79.05014	1.6
79.05480	32.9
81.03411	2.3
81.07042	41.2
83.04978	3.4
83.08609	7.9
85.02902	3.3
85.06519	4.0
91.03962	1.6
91.05462	22.4
91.06026	1.1
93.07030	41.1
94.07318	0.8
95.04949	5.8
95.08590	33.1
96.08948	0.8
97.02893	2.6
97.06513	4.9
97.10168	2.7
99.08075	0.9
105.07012	10.2
107.08577	21.9
109.06521	1.9
109.10140	66.0
110.10477	1.5
111.08079	3.3
117.06993	5.0
119.08560	17.6
121.10127	17.2
121.10960	1.2
123.08067	0.9
123.11723	2.8
125.09621	1.0
131.08556	6.2
133.10112	7.2
135.07996	1.0
135.11670	15.5
137.09610	9.8
139.11200	0.7
143.08571	1.6
145.10123	6.2
147.11650	4.3
149.09685	0.9
149.13232	4.0
151.11211	1.0
155.10652	2.0
157.10088	0.8
159.11684	3.5
161.13197	3.2
163.11143	3.7
169.10126	0.7
169.12311	1.5
171.11674	0.8
173.11754	8.6
173.13283	2.8
175.14865	1.4
179.10771	0.7
181.12288	1.2
184.07338	2.7
187.13261	1.6
187.14856	1.8
193.12239	0.8
201.16261	0.9
211.13290	1.2
213.14821	1.0
215.29753	0.6
229.14381	1.2
243.15933	1.4
243.21130	1.8
255.15887	5.3
261.22055	3.6
287.18472	19.6
317.24780	0.9
333.24158	0.7
335.25739	28.3
335.29694	1.5
336.26077	1.8
337.27252	2.0
397.31039	1.4
471.34515	4.0
489.35699	100.0
490.36014	7.1
497.36060	0.8
503.37277	2.9
515.37109	16.4
516.37402	1.4
529.39050	0.8
533.38660	1.2
547.39880	85.5
548.40143	6.6
662.79498	0.7
744.44397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01862	10.8
55.05501	29.3
57.03428	21.4
57.07057	3.2
59.04990	1.2
60.08151	1.4
61.02912	4.2
65.03917	2.6
67.05492	86.6
68.05842	1.7
69.03422	7.1
69.07056	39.7
70.06570	0.9
71.01336	4.3
71.04979	7.0
71.61261	0.8
71.79693	1.2
73.02911	2.3
77.03931	1.0
79.05478	75.0
80.05820	1.1
81.03403	15.3
81.07040	67.9
82.07362	2.3
83.04967	18.5
83.08606	12.6
85.02880	5.8
85.06525	4.8
86.09694	5.5
91.03941	1.9
91.05462	46.1
92.05786	1.5
93.07027	85.8
94.07349	2.3
95.04948	11.4
95.08583	29.2
97.02856	6.0
97.06512	28.4
97.10149	24.2
97.10776	0.9
99.04427	3.4
99.08058	4.8
103.05427	1.1
105.06309	2.0
105.07014	34.7
106.07320	1.0
107.04932	9.2
107.08572	62.0
108.08941	1.2
109.02880	2.3
109.06507	6.4
109.10136	14.9
111.08044	5.9
113.06054	0.9
113.09640	3.3
115.05458	1.5
116.06225	0.9
117.06996	19.2
119.08562	25.2
121.06504	5.6
121.10120	19.7
123.08075	3.8
123.11674	3.3
124.99998	3.2
125.05968	1.3
125.09614	14.5
127.03899	3.8
128.06274	1.1
129.05544	1.3
129.06963	5.0
130.07753	1.4
130.08635	1.4
131.08540	16.8
133.06494	2.6
133.10103	24.8
135.08057	4.4
135.11664	62.1
136.11929	1.1
137.06004	1.1
137.09613	4.2
139.07573	1.2
139.11134	1.1
141.06931	2.3
142.07806	1.0
143.08543	4.6
145.06493	1.5
145.10094	27.2
147.08066	1.2
147.11642	11.6
149.02338	2.1
149.09579	16.6
149.13239	6.7
151.11185	3.0
153.09125	1.0
153.12721	3.9
155.08553	3.0
157.06491	1.1
157.08981	0.8
157.10080	4.3
159.11667	11.1
161.09576	2.0
161.13246	4.2
163.11159	15.6
165.12700	1.1
169.10078	3.3
171.10275	1.9
171.11711	3.9
173.04443	2.3
173.09598	1.0
173.11894	1.4
173.13202	6.0
175.11172	1.6
175.14867	0.9
177.12712	3.0
179.14310	3.2
181.12177	12.9
183.11685	2.3
184.07318	13.8
185.13223	2.1
187.11264	1.8
187.14839	2.2
189.11203	5.6
189.12708	1.5
191.14331	1.0
192.42619	1.0
193.04970	2.6
193.12257	1.4
195.13760	2.6
197.13234	1.9
199.13269	2.7
207.13673	0.8
227.12723	26.2
229.14252	1.7
229.19429	2.2
239.17943	3.3
247.20543	2.2
253.14391	1.9
255.15866	100.0
256.16174	2.7
257.18958	11.4
267.15906	1.3
269.17429	10.3
275.20004	39.4
276.20297	2.1
293.21039	2.5
331.22626	3.0
349.23669	25.7
350.24091	1.6
351.21689	2.3
363.18417	1.0
367.24710	1.7
409.25827	3.9
425.25391	9.4
433.29471	3.4
435.27380	20.3
436.27747	1.6
449.28925	74.8
450.29337	3.9
489.32300	1.6
501.35721	1.1
511.33810	3.4
519.33539	0.9
529.35168	64.3
530.35449	4.3
547.36182	10.7
569.29352	1.6
593.33295	2.4
673.38910	1.2
726.44202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01866	0.9
55.05497	3.0
57.03426	2.5
57.07067	1.0
58.65615	0.7
61.02917	5.6
67.05497	8.5
69.03411	3.9
69.07063	3.5
69.57502	3.0
69.57943	4.1
73.02904	5.1
77.19523	0.7
79.05482	6.8
79.73543	0.7
81.03407	3.0
81.07049	9.0
83.04967	1.3
83.08614	1.4
85.02892	6.4
87.55287	0.8
91.03957	4.2
91.05464	5.2
93.07032	6.5
95.04954	2.0
95.08582	6.5
97.02888	5.5
97.06541	0.7
97.10151	1.3
98.56832	0.8
99.04450	1.8
101.02360	2.1
105.07041	3.3
107.04964	0.9
107.08591	4.5
109.10152	2.2
119.04933	1.1
119.08589	2.7
121.10150	2.6
127.03895	1.7
131.08543	2.0
133.10135	2.7
135.11665	1.8
145.10120	1.1
147.04395	5.7
147.11682	2.6
149.13284	0.8
159.00079	0.7
159.11673	1.0
171.11649	1.4
173.13272	0.7
184.07402	1.1
185.04181	0.8
243.08459	2.4
247.13062	1.4
465.21060	5.3
519.29291	6.2
743.43329	100.0
744.43842	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	744.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
53.49185	1.0
55.01865	10.6
55.05503	27.9
57.03432	20.4
57.07053	2.8
61.02917	3.7
63.68811	1.1
65.03932	2.7
67.05495	78.8
69.03417	8.0
69.07058	35.8
70.06568	0.9
71.01338	4.7
71.04984	7.7
71.08607	1.1
73.02910	2.9
79.05480	73.9
80.05814	1.2
81.03407	12.7
81.07044	58.8
83.04967	14.5
83.08602	14.0
85.02886	6.7
85.06514	5.8
85.31413	0.9
86.09692	4.7
90.20290	0.9
91.03934	2.2
91.05463	40.5
92.05773	1.2
93.07030	81.6
95.04951	13.1
95.08590	26.9
97.02874	5.0
97.06512	26.3
97.10152	21.3
98.20623	1.9
99.04421	3.1
99.08065	4.1
103.05447	1.8
105.06310	1.8
105.07014	28.0
107.04940	11.3
107.08574	60.1
108.08900	1.5
109.02850	3.3
109.05840	1.0
109.06478	6.2
109.10139	18.4
111.04395	1.3
111.08032	5.5
113.09633	1.4
115.05447	1.6
117.07001	16.7
119.08567	27.6
121.06502	6.1
121.10131	18.6
123.08025	2.9
123.11677	3.3
124.99977	3.5
125.09610	13.9
127.03903	3.1
129.06978	4.5
130.07738	2.1
131.08536	14.6
133.06470	1.3
133.10115	20.9
135.08098	5.6
135.11670	61.8
136.11981	1.8
137.09599	3.4
141.06955	1.5
143.08553	4.8
145.04900	1.2
145.10098	25.1
147.07996	2.1
147.11690	9.8
149.02345	1.0
149.09610	16.6
149.13229	6.3
151.07794	1.0
151.11154	1.8
153.12709	3.6
155.08522	2.1
157.10046	4.7
159.08040	1.3
159.11697	12.4
161.09636	1.4
161.13240	5.9
163.09834	0.9
163.11153	17.5
165.09213	1.0
165.12688	1.1
169.10106	2.5
171.11679	3.8
173.04440	1.9
173.09564	1.1
173.13226	6.0
175.11168	1.1
177.12718	4.1
179.14305	4.6
181.12227	12.7
183.11652	2.0
184.07310	10.8
185.13133	1.6
187.11162	1.9
187.14763	1.3
189.11188	5.8
189.12683	1.4
195.11864	1.1
195.13788	3.7
197.13228	2.1
199.13249	2.9
201.12720	1.0
212.62607	0.9
227.12747	22.7
229.14272	2.2
229.19449	2.2
237.14801	1.2
239.17879	3.6
247.20566	2.5
253.14464	1.9
255.15872	100.0
256.16260	3.0
257.19003	12.0
262.25470	1.0
267.15823	1.6
269.17465	9.5
270.17514	1.1
275.20007	37.2
275.23016	2.1
276.20410	1.3
293.17343	1.2
293.21109	2.9
331.22702	3.0
349.23706	28.0
351.21408	2.1
367.25055	1.0
409.25818	3.4
413.21475	1.4
425.25385	9.2
433.29541	4.3
435.27322	22.1
449.28915	83.5
450.29291	5.7
462.61533	1.2
465.28162	1.3
477.02747	1.0
489.32391	1.2
501.35587	2.8
511.34058	3.8
529.35211	74.1
530.35760	4.6
547.36328	12.2
569.29590	1.8
593.33234	2.7
622.85150	1.0
726.42682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.2
53.03937	0.2
55.01854	0.9
55.05491	0.3
57.03410	0.7
61.02906	0.6
65.03914	1.5
66.32658	0.2
67.05501	0.4
68.99785	0.3
69.03423	1.0
70.06573	0.3
70.15456	1.1
71.01334	0.3
73.02872	0.2
77.03909	0.2
78.63637	0.2
79.05482	0.4
81.03407	1.6
81.07044	0.3
83.01315	0.3
83.04956	0.3
84.08114	0.2
85.02883	2.7
86.09715	0.3
89.03912	0.3
91.05463	12.7
92.05819	0.3
93.03394	1.1
93.07047	0.3
95.01295	0.3
95.04950	1.2
95.08622	0.2
97.02860	1.1
98.20775	0.3
99.04408	0.3
101.67601	0.2
103.03925	1.0
103.05450	0.4
105.03423	0.5
105.07003	1.0
106.07279	0.2
107.01272	0.2
107.04935	3.4
107.08555	0.3
109.02856	2.0
111.04432	0.3
114.09139	0.6
115.05412	0.5
117.07012	1.2
119.04920	29.3
119.08577	0.4
120.05244	0.6
120.08112	0.2
121.02864	2.0
121.06458	0.6
123.04408	1.3
125.02345	0.3
125.05952	0.2
127.03889	1.4
129.07050	0.3
130.08597	0.2
131.04892	1.3
131.35715	0.2
133.02820	0.2
133.06459	2.9
135.00777	0.2
135.04385	1.0
137.05917	0.7
139.03844	0.4
141.01810	0.3
141.06970	0.5
143.08572	0.2
144.05664	0.6
145.02821	1.0
145.04890	0.3
145.05185	0.3
145.06465	4.2
145.10123	0.2
147.04379	100.0
148.04701	1.5
149.02313	0.6
149.05960	0.5
151.03854	0.8
151.07451	0.3
153.01776	0.8
153.06903	0.2
155.05986	0.6
157.06424	2.0
159.04376	2.0
159.07986	0.5
161.02354	0.4
161.05939	1.4
163.03897	1.3
163.06111	0.4
163.07446	0.2
165.01804	1.0
165.05511	0.5
165.06993	0.6
167.07018	2.4
167.08360	0.3
168.07336	0.4
169.06329	0.4
171.04376	4.1
171.08089	0.4
173.02368	0.3
173.05968	1.0
174.06319	0.3
175.00240	0.4
175.03841	1.0
177.01816	1.6
177.05461	1.8
179.03409	0.5
181.04962	0.3
181.06470	0.7
183.02852	1.1
183.04323	0.4
183.07996	0.7
185.05954	2.3
187.03835	0.9
187.07515	0.6
189.01842	1.9
189.05428	9.9
190.05956	0.3
191.03342	2.0
191.06743	0.2
193.01253	0.3
193.06461	0.4
195.02853	6.6
195.04312	0.3
195.07993	1.2
197.06035	1.1
199.03864	0.3
199.07463	0.6
201.01773	0.5
201.05420	0.9
203.03372	0.7
203.06874	0.3
205.04924	0.5
205.08600	0.8
206.08900	0.4
207.02852	4.2
207.06416	0.9
207.08038	0.7
209.04341	0.5
209.05934	0.5
209.07896	0.2
211.03911	0.4
211.07523	0.8
213.01985	0.2
213.03676	0.2
213.05435	2.9
215.03360	0.9
215.06984	0.4
217.01393	0.3
217.04851	0.4
217.08525	0.4
218.07222	0.3
219.02843	6.2
219.08081	0.4
219.09972	0.2
221.00801	0.4
221.04277	0.5
221.06096	0.4
223.02209	0.4
223.07420	0.9
225.03664	1.3
225.05742	0.4
227.03349	0.3
227.06897	0.5
229.04898	0.8
231.02855	2.3
231.06470	0.9
231.08398	0.3
233.04274	1.0
235.02258	0.3
235.07469	1.5
235.09566	0.5
237.03772	2.9
237.09009	0.4
239.06964	0.6
241.04944	0.4
243.02863	1.8
243.06506	0.9
245.04276	0.4
247.07672	0.3
249.03694	1.3
249.09216	0.2
251.06918	0.7
253.04968	0.7
255.02797	1.0
255.06479	1.3
257.04352	0.7
259.02271	0.3
261.03854	5.5
262.04343	0.2
263.06891	1.2
265.04919	0.2
265.08270	0.3
265.10831	0.4
267.03165	0.2
267.06369	0.7
269.04352	0.5
273.03864	1.6
273.07437	0.8
277.08475	0.4
279.04742	0.3
280.07443	0.2
281.04346	2.6
281.07935	0.6
283.05829	0.3
285.03851	1.7
285.07492	0.9
287.07056	0.3
289.05026	0.3
289.08673	0.2
291.05768	0.4
291.08777	0.6
293.07959	0.5
295.05951	0.5
297.07635	2.5
299.05408	0.8
303.04831	1.5
305.04376	0.3
305.07965	0.5
307.06012	1.5
307.09277	0.4
308.06519	0.2
309.04037	0.4
309.09894	4.4
315.05011	0.3
315.08566	3.5
319.05957	3.4
319.09567	0.4
321.06473	0.6
323.05389	0.7
325.06891	0.7
327.04794	0.9
327.08493	1.2
333.04062	0.4
333.07532	1.6
335.05469	1.7
337.06970	3.6
338.07501	0.2
339.08655	4.2
341.06808	0.2
345.07169	0.4
347.05414	3.5
347.09186	0.4
349.06775	0.4
351.04797	0.7
351.08594	0.5
353.06467	0.3
355.07730	0.3
357.09570	0.4
361.07016	2.9
363.08789	1.0
365.06491	6.5
369.05591	0.4
369.09729	1.0
373.07089	0.3
375.04504	0.2
375.08664	0.5
377.06229	0.2
379.08270	0.2
381.09683	1.8
383.07556	1.6
385.06729	0.4
387.07968	0.3
389.06458	2.7
391.07828	0.3
393.09695	1.5
399.10406	0.8
401.06198	0.3
403.07962	0.7
405.09464	1.2
407.07892	0.9
408.37500	0.2
411.10730	0.3
417.11618	2.5
421.08871	0.3
423.10611	1.1
429.11411	0.3
431.07230	1.1
435.12619	0.7
437.08340	0.5
439.10574	0.5
441.11649	1.5
447.10562	0.6
449.09061	1.1
453.09308	0.2
455.11005	0.8
457.12558	0.4
459.12125	0.8
467.10632	10.5
468.10599	0.4
471.10748	0.3
473.12592	1.2
481.12625	0.6
483.12778	0.4
485.11929	7.4
486.11673	0.3
497.11826	0.3
503.13226	1.3
509.12292	4.2
521.12231	0.4
525.13568	0.5
527.12610	1.1
533.11865	0.6
539.12549	0.9
541.13593	0.2
543.14752	0.3
551.13177	2.0
557.12903	0.4
559.15485	0.5
569.14117	2.0
587.15137	2.0
593.16016	0.3
605.15344	1.2
623.16882	0.7
742.39386	0.3
742.89917	0.3
743.27277	0.4
743.40704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03419	0.7
61.02931	0.3
65.03923	1.7
67.05490	0.3
68.42947	0.2
68.99787	0.4
69.03413	1.0
71.04965	0.4
73.02917	0.4
79.05476	0.5
81.03391	0.9
83.01350	0.3
83.04961	0.3
85.02892	2.9
87.46718	0.2
91.05468	13.4
93.03387	0.9
93.07059	0.3
95.01345	0.3
95.04951	1.0
95.08610	0.2
97.02852	0.9
98.21527	0.4
103.03899	0.4
103.05481	0.2
105.03373	0.5
105.07024	1.0
107.01298	0.3
107.04945	3.0
109.02871	1.4
109.06474	0.2
109.10154	0.2
111.04440	0.5
115.05474	0.6
117.06999	0.9
119.04924	29.9
120.05230	0.4
121.02854	2.0
121.06509	0.9
123.04427	1.2
125.02357	0.2
127.03919	0.6
129.06992	0.2
130.19946	0.2
131.04903	1.4
133.02826	0.5
133.06471	2.7
133.10162	0.2
133.86823	0.2
135.00760	0.4
135.04382	1.1
137.02275	0.3
137.05966	0.6
139.03871	0.4
141.01808	0.3
141.06975	0.4
143.04907	0.4
144.05690	0.5
145.02791	0.6
145.06483	3.4
147.04384	100.0
148.04730	1.3
149.02325	0.5
149.05951	0.5
149.09544	0.3
151.03912	0.7
153.01764	0.9
153.06905	0.2
155.04880	0.3
155.06064	0.3
157.06482	2.0
158.06949	0.2
159.04388	2.4
159.07982	0.3
161.02303	0.3
161.05966	1.6
163.03937	0.9
165.01848	0.9
165.05490	0.3
165.06947	0.6
167.03450	0.2
167.07024	0.5
167.08446	0.3
169.05090	0.2
169.06516	0.6
171.04375	4.4
171.05757	0.3
171.08014	0.4
173.02350	0.7
173.05956	0.6
175.00345	0.3
175.03915	1.2
176.04533	0.2
177.01793	1.9
177.05411	1.1
177.06847	0.3
179.03336	0.4
179.08553	0.4
179.62486	0.2
181.04948	0.4
181.06413	0.5
183.02863	1.0
183.04370	0.4
183.08020	0.6
184.05212	0.3
185.05965	2.5
187.03902	0.7
187.07588	0.5
189.01830	2.2
189.05437	10.8
191.03352	2.0
193.01231	0.3
193.06491	0.5
195.02858	6.7
195.07948	0.9
195.75818	0.2
197.00734	0.2
197.05878	0.9
199.03809	0.4
199.07487	0.7
199.67505	0.2
201.01753	0.7
201.05443	0.6
203.03329	0.7
203.06944	0.2
203.08632	0.2
205.04892	0.5
205.06577	0.3
207.02856	4.0
207.04832	0.2
207.08038	0.8
209.04349	0.3
209.05988	0.4
211.03928	0.4
211.07513	0.8
213.03647	0.3
213.05453	3.3
215.03372	1.1
215.06781	0.2
217.01393	0.2
217.04782	0.2
219.02846	6.3
219.07971	0.3
221.04218	0.4
221.06078	0.4
221.09444	0.2
223.02411	0.4
223.07458	0.9
225.03696	1.5
225.05794	0.3
225.09012	0.2
227.03427	0.3
227.06982	0.5
229.01239	0.2
229.04938	0.8
231.02895	1.9
231.06488	0.7
233.04271	1.2
233.09747	0.2
234.06679	0.3
235.02261	0.4
235.07564	1.4
237.03792	2.7
237.09167	0.4
239.06929	0.5
241.04939	0.5
243.02821	1.6
243.06548	0.5
245.04414	0.6
247.02356	0.2
247.05757	0.2
247.07915	0.2
249.03667	1.1
251.07007	0.6
253.04858	0.5
253.08574	0.2
255.02895	0.9
255.06413	1.1
257.04446	0.8
261.03879	5.2
263.07022	1.3
265.04907	0.4
265.08405	0.3
267.06448	0.5
269.04330	0.3
271.05994	0.3
273.03915	1.6
273.07535	0.6
275.03232	0.2
277.04883	0.3
277.08545	0.4
279.06705	0.3
281.04413	1.9
281.07977	0.6
283.05820	0.3
284.64993	0.2
285.03906	1.6
285.07529	1.1
287.05353	0.2
288.07693	0.2
289.08493	0.3
291.05896	0.4
291.08649	0.8
293.04370	0.3
293.08240	0.2
295.05923	0.8
297.07693	2.9
299.05444	0.7
301.04474	0.2
303.04807	1.8
305.04486	0.4
305.08008	0.7
307.05923	1.7
309.09943	3.9
315.05066	0.3
315.08652	3.2
317.07965	0.3
319.05957	3.4
321.06293	0.9
323.05304	0.8
325.06995	0.6
325.75919	0.2
327.04932	0.7
327.08524	1.2
333.03876	0.4
333.07504	1.5
335.05432	1.5
337.07037	3.4
339.08667	4.5
345.06940	0.3
347.05438	3.9
347.09106	0.3
349.07047	0.3
351.04785	0.9
351.08646	0.5
353.06473	0.4
355.08597	0.2
357.09515	0.4
361.07022	3.5
363.08484	1.0
365.06516	6.2
369.05713	0.4
369.09698	0.5
373.06964	0.7
375.04535	0.3
375.08578	0.5
381.09750	1.9
383.07700	1.9
385.07089	0.3
389.06528	2.3
391.07935	0.4
393.09637	1.1
399.10501	0.6
401.06296	0.4
403.08170	0.6
405.09537	1.0
407.07422	1.2
411.10233	0.3
413.06412	0.2
417.11658	2.5
419.07629	0.3
421.09009	0.2
423.10880	1.2
429.12103	0.2
431.07632	1.3
435.12717	0.9
437.08505	0.7
439.10614	0.2
441.11716	1.9
447.10641	0.6
449.08502	1.7
453.09784	0.3
455.11328	1.2
457.12708	0.5
459.12491	0.8
465.11319	0.3
467.10669	10.8
468.10980	0.2
471.10602	0.3
473.12317	1.3
481.12167	0.4
483.12415	0.4
485.11954	7.8
486.12549	0.4
489.11380	0.6
495.12146	0.3
497.11871	0.4
503.12900	1.6
507.12698	0.3
509.12128	4.5
523.13159	0.4
525.13684	0.3
527.12878	0.9
533.12006	0.4
539.12811	0.9
551.13147	2.5
557.13342	0.3
559.15997	0.5
569.14105	1.9
575.15002	0.3
587.15100	1.9
593.16296	0.2
605.16168	1.3
623.16797	0.3
641.16107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14558	0.2
53.03945	0.3
53.86506	0.2
55.01863	0.6
57.03420	0.2
61.02929	0.3
65.03935	1.4
68.99792	0.2
69.03426	0.9
69.07034	0.2
70.06578	0.3
71.45246	0.2
79.05476	0.4
81.03407	0.8
81.07037	0.3
83.01321	0.2
85.02898	1.6
85.87773	0.2
91.05469	11.4
93.03359	0.9
93.07018	0.2
95.04955	0.9
97.02881	0.9
101.70198	0.2
103.03963	0.3
103.05442	0.4
105.03379	0.4
105.07025	0.7
107.04946	2.1
109.02855	1.1
109.06573	0.2
111.04443	0.4
114.09160	0.3
115.05434	0.6
117.06990	0.8
119.04927	27.2
120.05254	0.3
121.02854	1.8
121.06477	0.5
123.04430	1.0
127.03919	0.7
131.04939	0.8
133.02823	0.3
133.06468	2.2
133.62309	0.2
135.04402	0.7
137.05978	0.5
137.55392	0.2
141.06870	0.2
144.05699	0.3
145.02821	0.6
145.06451	2.4
147.04388	100.0
148.04747	1.9
149.02293	0.4
149.06029	0.4
151.03888	0.5
155.06004	0.2
157.06490	1.5
159.04381	1.5
161.02269	0.3
161.05977	1.0
163.03882	1.3
165.01778	0.9
165.06984	0.3
167.07068	0.3
167.08563	0.2
169.06436	0.3
171.04391	3.0
171.08043	0.2
173.02359	0.4
173.06000	0.5
175.00255	0.4
175.03874	0.9
177.01830	1.1
177.05461	0.8
180.73236	0.2
183.02869	0.8
183.04425	0.3
183.08020	0.3
185.05971	1.4
187.03957	1.0
187.07495	0.2
189.01825	2.5
189.05441	6.1
189.07127	0.4
191.03313	1.6
193.06549	0.3
195.02875	4.7
195.08023	0.6
197.05936	0.6
199.07610	0.3
201.01770	0.5
201.05431	0.6
203.03322	0.9
203.06993	0.3
205.04868	0.4
207.02850	3.6
207.04630	0.4
207.06305	0.2
207.08076	0.5
209.04298	0.4
209.06039	0.4
211.07448	0.6
213.05424	2.4
215.03340	1.2
217.04831	0.4
219.02866	6.0
221.04317	0.4
223.07489	0.8
225.03796	1.1
227.03345	0.4
227.07101	0.3
229.04875	0.7
231.02892	1.6
231.06508	0.6
233.04445	0.9
234.06741	0.2
235.02260	0.3
235.07552	0.5
237.03827	2.3
237.05679	0.2
239.07077	0.3
241.04825	0.4
243.02867	1.1
243.06380	0.5
249.03717	1.0
251.07117	0.5
253.05013	0.4
255.02757	0.6
255.06473	0.7
257.04382	0.7
261.03876	4.7
263.06952	0.7
265.08459	0.2
267.06393	0.4
269.04657	0.3
271.05878	0.2
273.03824	1.3
273.07593	0.4
277.05063	0.2
277.08398	0.3
277.66141	0.2
279.06223	0.3
281.04407	1.8
281.07468	0.3
285.03818	1.3
285.07388	0.6
291.04846	0.4
291.08902	0.3
293.07571	0.2
295.05862	0.3
297.03973	0.3
297.07645	2.4
299.05551	0.7
303.04871	1.7
305.04480	0.3
305.07996	0.5
307.06100	1.0
309.04260	0.3
309.09872	5.0
315.05414	0.2
315.08643	2.9
319.05911	2.4
321.06311	0.8
323.05386	0.5
325.07123	0.4
327.04840	0.6
327.08539	0.9
333.07596	1.1
335.05518	1.2
337.07031	2.3
339.08698	4.0
347.05496	2.5
351.04669	0.3
351.08469	0.5
353.06049	0.2
361.07123	1.7
363.08081	0.9
365.02341	0.3
365.06506	4.6
369.09592	0.5
373.06842	0.5
375.08438	0.4
377.06540	0.3
381.09726	1.6
383.07660	2.0
387.07990	0.3
389.06519	2.3
391.07712	0.3
393.09698	1.0
399.10562	0.6
401.06537	0.4
403.07941	0.5
405.09219	0.9
407.07602	1.5
417.11749	2.1
423.10297	0.7
431.07709	1.1
435.12463	0.7
437.08551	0.5
439.10446	0.3
441.11301	0.7
449.08521	1.3
453.09360	0.3
455.10974	0.7
457.12741	0.4
459.12366	0.7
467.10629	8.1
468.10806	0.3
473.12411	1.2
481.11600	0.2
483.11691	0.4
485.11768	7.3
486.12064	0.3
495.12479	0.2
497.12057	0.4
503.12659	2.3
509.12283	3.0
527.12207	0.8
533.11334	0.3
539.13092	0.7
551.13293	1.9
557.13196	0.3
559.15625	0.4
569.14148	1.5
587.15076	1.7
593.15521	0.4
605.15540	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	743.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03423	0.2
57.30430	0.1
61.02922	0.2
62.01278	0.1
64.49472	0.1
65.03925	1.6
67.05496	0.3
69.03416	0.8
69.81616	0.9
70.06589	0.3
73.02899	0.2
77.03963	0.2
79.05457	0.2
81.03400	0.5
83.01321	0.2
85.02889	1.7
87.26147	0.2
91.05465	11.6
93.03374	0.8
95.04958	0.7
97.02880	0.7
98.20683	0.3
99.04436	0.2
105.03355	0.3
105.07014	0.6
107.01315	0.2
107.04942	2.1
109.02849	0.9
109.06525	0.2
111.00819	0.2
111.04421	0.3
114.09125	0.2
115.05433	0.6
117.03422	0.2
117.06986	0.7
119.04922	27.6
120.05247	0.4
121.02857	1.3
121.06464	0.3
123.04414	0.9
127.03891	0.5
128.94954	0.1
129.07040	0.2
131.04895	0.7
131.05786	0.2
133.02783	0.2
133.06468	2.0
133.07455	0.2
135.04422	0.8
137.05930	0.4
139.03946	0.1
141.06978	0.3
144.05687	0.4
145.02826	0.3
145.06470	2.1
147.04382	100.0
148.04733	1.4
149.02318	0.4
149.05927	0.3
151.03889	0.4
153.01808	0.5
155.04842	0.2
155.06006	0.3
157.06476	1.4
159.04385	1.5
159.08000	0.2
159.17719	0.2
161.02267	0.3
161.05998	0.9
163.03891	1.0
165.01753	0.9
165.05569	0.3
165.06898	0.3
167.04881	0.1
167.07166	0.2
169.06438	0.4
171.04364	3.3
171.05753	0.2
171.08009	0.3
173.02469	0.3
173.05977	0.4
175.00266	0.3
175.03932	0.7
177.01834	1.3
177.05417	0.6
177.06827	0.2
179.03310	0.3
179.08466	0.2
181.04985	0.3
181.06474	0.4
183.02843	0.6
183.04309	0.3
183.08028	0.3
185.05965	1.6
187.03862	0.8
187.07516	0.3
189.01810	2.1
189.05435	6.5
189.07123	0.4
191.03397	1.4
193.04912	0.2
193.06487	0.2
195.02855	5.1
195.08012	0.7
197.05956	0.7
199.07475	0.3
201.01741	0.4
201.05403	0.6
203.03296	0.7
203.06822	0.2
205.01361	0.2
205.04837	0.4
206.07076	0.2
207.02849	3.3
207.06256	0.3
207.08058	0.5
209.04352	0.4
209.06064	0.3
211.03952	0.3
211.07466	0.6
213.03900	0.2
213.05492	2.3
215.03316	1.0
217.01357	0.3
217.04881	0.2
219.02855	5.0
219.08072	0.3
221.00792	0.4
221.04201	0.3
221.06062	0.3
221.09653	0.2
223.02156	0.2
223.07439	0.7
225.03606	0.9
225.05698	0.4
227.03235	0.3
227.06967	0.4
229.04907	0.8
231.02794	1.5
231.06421	0.5
233.04286	0.9
235.02319	0.3
235.07533	0.7
237.03844	2.4
237.09044	0.4
239.03479	0.2
239.06967	0.3
241.04880	0.3
243.02896	1.3
243.06447	0.4
245.04367	0.4
249.03755	0.8
251.06990	0.4
253.04912	0.4
253.08228	0.2
255.02846	0.5
255.06340	0.9
257.04199	0.8
261.03897	4.2
263.06931	0.7
265.04984	0.2
265.08517	0.3
267.06473	0.4
269.04642	0.2
269.07867	0.3
273.03757	0.9
273.07458	0.8
277.08505	0.4
279.06638	0.2
281.04388	1.8
281.08008	0.5
283.05939	0.2
285.03827	1.2
285.07462	0.6
287.06866	0.2
291.05093	0.5
291.08591	0.5
293.08005	0.4
295.06003	0.3
297.07709	2.2
299.05463	0.4
303.04898	1.2
305.07965	0.6
307.06006	1.1
309.09848	5.2
315.08594	3.1
319.05927	2.4
321.06229	0.8
323.05472	0.7
325.07138	0.2
327.04877	0.4
327.08502	0.8
333.03946	0.3
333.07458	1.1
335.05466	1.2
337.07028	2.5
339.08667	3.8
345.06619	0.3
347.05441	3.1
347.09244	0.2
349.07159	0.3
351.04739	0.3
351.08536	0.6
353.06647	0.2
357.09387	0.4
361.07059	1.9
363.08652	0.9
365.06503	4.7
366.06720	0.2
369.09644	0.8
373.06641	0.4
375.08609	0.5
381.09692	1.2
383.07562	1.3
385.06573	0.2
389.06454	1.9
391.07965	0.3
393.09729	0.8
397.10730	0.2
399.10791	0.7
401.06418	0.4
403.07806	0.5
404.45734	0.2
405.08890	0.6
407.07443	0.7
411.11203	0.2
413.06445	0.2
417.11746	2.3
421.08493	0.3
423.10190	0.6
429.11795	0.2
431.07782	0.8
435.12698	1.1
437.08575	0.4
439.10666	0.3
441.11710	1.0
447.10876	0.3
449.08582	1.1
453.09470	0.4
455.10870	0.7
457.12601	0.3
459.12408	0.7
467.10629	9.3
468.10437	0.3
471.10754	0.2
473.12231	0.9
481.12283	0.3
483.12134	0.4
485.11923	7.1
486.12134	0.2
495.12546	0.3
497.12589	0.3
503.13165	1.7
509.12198	3.9
510.12073	0.3
521.11267	0.2
525.13361	0.4
527.12689	0.7
533.12158	0.4
539.13116	0.8
551.13367	1.8
557.13129	0.2
559.15546	0.3
569.14197	1.4
587.14874	1.4
605.15894	0.9
623.16742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2021
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03939	0.2
53.12941	0.1
55.01859	0.3
55.05508	0.2
57.03431	2.0
61.02929	0.6
67.05479	0.1
67.72218	0.1
68.99792	0.3
69.03084	0.2
69.03426	2.1
69.66043	0.9
70.06571	0.3
70.45563	0.1
71.01337	0.3
71.04988	7.7
73.02908	1.9
74.95717	0.1
75.04461	0.4
81.03410	0.7
83.04984	1.3
85.02899	12.4
86.03241	0.1
87.04463	0.7
91.05471	0.1
93.03403	0.2
95.04942	0.3
97.02888	3.4
99.04427	0.2
103.03926	0.2
107.04954	0.2
109.02856	0.8
111.00776	0.6
111.04459	0.8
113.02378	0.1
115.03927	1.2
121.02865	0.8
123.04448	0.2
127.03900	1.3
129.05473	3.2
130.08635	0.1
131.04919	0.1
133.04950	0.3
135.04379	0.2
137.02338	1.7
137.05949	0.2
145.04922	0.7
147.04372	0.3
147.06496	1.6
149.02336	0.3
149.04469	0.1
153.01801	2.3
157.04865	0.1
160.82187	0.1
161.05978	0.4
163.03908	0.6
163.05983	0.2
165.01842	1.3
165.07568	0.1
166.02632	0.1
169.04980	0.2
173.05986	0.3
177.05493	0.3
179.03391	0.1
181.08606	0.2
183.02928	0.6
183.04269	0.1
187.03935	0.2
195.02930	0.2
201.05487	1.1
205.04901	0.2
219.06548	0.2
225.07635	0.8
225.09875	0.2
229.04958	2.9
239.11714	0.2
241.07207	0.2
241.09581	0.2
243.08588	0.3
247.06003	0.6
255.08546	0.1
255.11089	0.2
257.01959	0.2
257.04449	2.2
267.11288	0.4
269.12833	0.1
273.09561	0.1
274.04846	0.5
279.10754	0.2
283.10709	0.1
285.03949	1.0
295.10663	0.3
303.04968	100.0
304.05325	4.4
309.12094	0.1
313.11786	0.5
315.05063	0.3
345.06070	0.4
355.12772	0.2
369.05923	0.2
373.13565	0.3
435.13184	0.5
447.08987	0.2
449.10651	0.1
465.10309	2.5
466.10397	0.2
499.17288	0.2
517.17999	0.6
531.16260	0.2
535.19128	0.9
631.20862	0.2
649.22180	0.3
667.23199	0.2
693.21692	0.1
707.24323	0.1
725.23926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01867	3.6
55.05501	24.2
57.03428	20.4
57.07057	1.0
59.04988	0.9
61.02917	5.0
63.26174	0.7
65.03923	2.7
67.05493	61.1
68.05819	0.8
69.03419	6.9
69.07058	16.7
70.98157	1.4
70.98533	1.6
71.04976	6.2
73.02898	1.8
73.06544	1.0
77.03902	0.8
79.05481	54.3
81.03405	68.4
81.07043	65.4
82.03733	0.9
82.07366	0.9
83.04968	18.7
83.05460	1.2
83.08604	27.8
85.02892	33.6
85.06523	3.3
91.03932	1.4
91.05466	45.1
92.05773	1.0
93.07025	47.8
95.04955	29.4
95.05576	1.0
95.08591	39.6
97.02871	5.9
97.06521	5.3
97.10146	5.4
99.08067	1.9
103.05426	0.8
105.07009	29.1
107.04940	6.7
107.08578	26.8
107.09315	1.2
108.08846	0.9
109.06510	6.5
109.10139	15.7
111.04422	2.4
111.08060	11.8
113.05965	2.5
115.05404	1.9
117.06987	5.5
119.08564	25.8
121.06497	1.6
121.10123	22.7
123.08056	4.5
123.11691	5.6
125.09589	2.7
127.03886	0.9
128.06268	0.8
129.06979	12.2
131.08546	19.6
133.06471	3.7
133.10101	18.5
135.07996	1.0
135.11678	9.5
137.09615	2.6
137.13237	1.5
142.07758	2.3
143.08586	1.6
145.10112	7.5
147.08017	2.6
147.11671	17.1
148.12007	0.8
149.09618	6.4
149.13274	5.7
151.11102	0.8
155.08421	0.9
157.10106	16.3
159.11673	3.4
161.13197	3.7
163.02840	0.7
163.11208	1.7
163.14807	2.1
165.12730	3.4
171.11612	0.9
173.13237	3.7
175.11154	15.6
175.14796	1.4
176.11424	0.7
177.16420	0.9
185.13327	1.4
187.14757	1.8
193.12212	52.3
194.12573	1.7
197.13364	0.9
201.16405	0.9
211.13260	82.1
212.13641	1.6
227.12830	1.0
243.21040	3.5
249.14948	1.1
261.22092	10.7
267.15891	16.4
279.23334	0.8
285.16922	86.4
286.17288	2.4
301.25311	1.2
317.24725	2.7
335.25754	78.7
336.26038	3.9
435.32587	2.3
453.33676	2.5
471.34875	1.9
509.36304	1.1
527.37195	15.0
528.37708	1.0
545.38312	100.0
546.38629	7.7
563.39337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.6
55.01829	0.8
55.05503	10.8
57.03430	7.8
57.07035	1.0
61.02872	1.8
65.03888	1.3
67.05493	33.0
67.05828	1.5
69.03413	2.7
69.07056	7.8
69.58117	0.9
69.58523	3.1
71.04996	3.1
71.94514	0.5
73.02892	0.7
79.05482	22.7
80.05768	0.4
81.03405	30.6
81.07042	35.0
82.03683	0.9
82.07340	0.5
83.04966	6.6
83.08606	15.0
85.02893	12.5
85.06483	1.4
91.03893	0.5
91.05465	18.8
93.07029	23.7
94.07309	0.7
95.04951	14.3
95.08593	23.8
97.02870	2.3
97.06535	2.2
97.10147	3.1
99.04415	0.5
99.08015	0.8
105.07012	14.3
107.04929	2.0
107.08580	12.9
109.06493	3.0
109.10139	8.6
111.04436	2.1
111.07422	0.5
111.08059	6.3
113.05929	1.4
117.06986	3.2
119.07743	0.7
119.08562	13.0
121.06444	0.8
121.10129	13.5
123.07976	1.7
123.11688	3.5
125.09554	1.3
129.06979	4.4
131.07666	0.5
131.08551	9.2
133.06422	0.9
133.09172	0.5
133.10101	8.3
134.61615	0.5
135.11682	6.5
137.09521	1.1
137.13200	0.5
142.07707	1.3
145.10086	3.8
147.07924	1.0
147.10576	0.7
147.11664	10.6
149.09604	3.1
149.13237	2.9
150.13425	0.5
151.11081	0.9
157.08864	0.6
157.10101	8.1
159.11595	1.8
161.13187	1.8
163.11086	0.7
163.14720	1.6
165.12695	1.9
173.13177	1.7
175.11157	8.2
175.14766	1.1
184.07370	0.5
187.14865	1.0
190.40227	0.5
193.12215	22.7
194.12590	0.5
201.16322	0.7
211.13260	31.3
212.13516	1.0
227.12665	1.2
229.14102	0.6
243.20964	1.3
249.14763	0.5
261.22070	5.3
267.15848	6.9
283.15439	1.0
284.15707	0.7
285.16925	34.1
286.17300	0.7
317.24655	1.5
325.57074	0.5
335.25757	58.7
336.26096	2.9
337.26489	0.8
435.32626	0.9
453.33521	0.9
471.35010	0.7
509.35681	0.5
512.89960	0.5
527.37238	7.5
528.37207	0.6
545.38312	100.0
546.38556	6.4
563.40070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01860	2.1
55.05503	19.0
57.03150	0.8
57.03430	14.2
57.07070	1.3
59.04977	0.6
61.02917	4.1
63.24554	0.3
65.03912	2.7
67.05494	53.2
69.03416	3.4
69.07059	14.5
70.05431	2.2
71.04982	4.8
71.08601	0.5
73.02904	1.4
77.03932	0.6
78.66297	0.4
79.05479	42.0
81.03406	40.7
81.07043	55.4
82.07365	0.9
83.04484	0.8
83.04967	11.4
83.08605	17.8
85.02891	18.1
85.06519	2.5
86.01257	0.4
86.45843	0.4
91.03935	1.5
91.05466	36.5
92.05786	0.6
93.07029	41.6
94.07352	0.7
95.04955	18.1
95.08590	35.3
96.05274	0.5
96.08917	0.4
97.02877	4.1
97.06516	4.6
97.10150	4.2
98.20667	0.6
99.04472	0.4
99.08087	1.7
99.70256	0.4
101.06013	0.5
103.05469	0.5
105.04511	1.1
105.07014	23.7
107.04929	4.3
107.08576	21.8
107.09319	0.9
109.06510	4.7
109.09384	0.7
109.10138	14.6
109.39349	0.4
111.04426	1.7
111.08067	8.0
113.05997	1.7
115.03969	0.4
115.05453	1.2
117.07008	5.6
119.04919	0.6
119.08564	19.8
119.63103	0.4
120.08910	0.4
121.06520	1.5
121.10127	18.7
123.08068	2.3
123.11685	5.2
125.09610	1.3
127.07528	0.9
129.06985	7.9
131.07510	0.5
131.08543	14.9
133.06482	1.6
133.10101	15.4
134.10431	0.5
135.08031	0.8
135.11682	9.0
137.09570	1.8
137.13263	1.6
139.11169	0.8
141.06943	0.5
142.07736	2.1
143.08542	1.1
145.10112	6.1
147.08038	1.7
147.11662	15.4
148.11984	0.5
149.09595	4.0
149.13217	4.7
151.11191	1.1
153.12624	0.5
155.08498	0.9
157.10104	10.1
159.11668	3.0
161.13258	3.1
163.11212	0.9
163.14816	1.9
165.12807	2.0
169.10045	0.6
171.11676	0.7
173.09581	0.5
173.13196	3.7
175.11159	10.8
175.14795	1.3
177.12735	0.8
177.16370	0.8
181.12244	0.5
183.11684	0.6
184.07364	1.1
185.13269	0.6
187.14825	1.6
193.12207	29.9
194.10852	0.4
194.12497	0.7
199.14909	0.5
201.16322	0.6
211.13254	42.7
212.13625	0.9
217.19392	0.4
227.12749	0.7
233.15239	0.4
233.22502	0.6
243.21155	2.1
249.14830	1.0
259.20538	0.5
261.19409	0.4
261.22092	11.1
267.15848	12.9
269.17545	0.9
277.21579	0.4
285.16925	50.5
286.17245	1.4
295.02029	0.4
301.24957	0.4
317.24734	2.3
333.24207	0.6
335.25754	85.6
336.26169	2.4
417.31357	0.7
425.34634	0.5
427.46860	0.5
427.52982	0.5
435.32385	2.3
453.33496	1.6
471.34351	1.1
509.36096	0.7
527.37238	14.2
528.37781	0.8
545.38318	100.0
546.38702	6.6
563.38843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01853	3.5
55.05505	19.1
55.24280	1.0
57.03431	15.6
57.07064	4.3
61.02903	2.2
65.03928	2.9
66.60714	0.8
67.05495	83.3
68.05846	1.4
69.03417	2.3
69.07059	29.6
71.04996	5.5
71.08598	1.6
71.78812	0.7
71.79187	1.2
73.02890	1.3
77.03886	1.4
78.75674	0.9
79.05483	64.1
81.03409	14.1
81.07043	100.0
82.07383	2.1
83.04965	8.8
83.08604	20.8
85.02883	2.7
85.06524	6.1
86.09729	4.7
87.04466	1.0
91.05466	63.5
93.07030	97.9
94.07323	1.3
95.04959	13.6
95.08594	45.7
97.02863	2.5
97.06516	11.4
97.10134	6.0
98.98401	1.0
99.08084	4.8
103.05442	1.4
105.07017	67.0
106.07433	1.1
107.04946	3.4
107.08577	53.2
108.08881	1.1
108.38626	0.8
109.06501	5.5
109.10138	13.8
111.04422	0.9
111.08072	8.8
111.11688	1.1
113.09631	2.0
115.05436	1.4
117.06999	21.4
117.07783	1.8
119.08562	48.3
121.06491	2.1
121.10130	37.4
123.08052	3.5
123.11668	6.3
125.00009	4.2
125.09622	2.6
127.03889	1.0
129.06976	12.6
130.07759	1.2
131.08542	28.8
132.08835	1.3
133.10114	46.0
135.08044	2.5
135.11681	23.2
137.09589	1.9
139.11165	2.3
141.06958	1.0
142.07764	2.0
143.08543	9.1
144.09337	0.9
145.10104	20.0
147.08002	1.3
147.11667	45.1
148.12030	1.2
149.09601	4.1
149.13234	34.7
150.13542	1.8
151.11142	1.9
153.12607	1.0
155.08594	1.6
156.09361	1.1
157.10114	10.5
159.10345	1.4
159.11671	28.1
161.09590	1.4
161.13231	26.5
162.13550	1.1
163.11183	2.4
163.14822	3.7
165.12718	3.3
169.10089	2.7
171.11662	12.4
173.11824	1.5
173.13213	11.5
175.11168	1.7
175.14818	10.4
177.12711	6.9
183.11647	2.4
184.07326	18.3
185.13197	10.3
187.14825	4.0
189.12714	1.6
189.16368	1.9
193.12236	2.7
195.11914	1.3
195.13745	10.7
197.13268	1.6
199.14816	5.9
201.16432	1.6
203.17975	1.2
213.16417	2.2
215.17987	1.4
217.15894	1.1
217.19583	1.1
227.12770	1.6
231.17506	1.3
231.21053	5.0
232.41965	0.9
241.19493	33.8
243.21072	2.1
257.18942	2.2
259.20544	83.2
260.20938	2.8
261.22009	4.3
267.15878	24.8
267.18771	1.2
269.17435	95.6
270.17834	3.3
301.24988	1.0
315.23166	6.5
333.24210	63.6
334.24643	3.0
335.25775	12.5
367.22760	1.7
397.40991	1.0
417.31375	1.4
435.32571	7.6
453.33701	5.0
456.17288	1.6
471.34824	4.6
497.17975	2.6
498.18613	6.9
499.18646	2.2
509.36160	3.3
515.37305	1.1
517.38611	2.6
527.37268	94.7
528.37561	8.3
545.38269	30.6
546.38538	1.6
569.38287	1.3
585.22736	3.1
635.39209	1.1
644.23688	1.8
645.25098	5.4
646.24231	1.3
742.44165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
53.32600	0.5
55.01855	1.5
55.05502	12.7
57.03156	0.5
57.03426	10.2
57.07059	1.0
61.02909	1.7
65.03925	1.6
67.05495	32.8
68.05843	0.6
69.03400	3.3
69.07054	8.9
69.85371	0.9
69.85783	2.6
71.04971	3.1
73.02901	0.9
74.91342	0.5
79.05480	24.6
80.05789	0.6
80.48206	0.5
81.03405	38.4
81.07042	34.6
82.03731	0.8
82.07407	0.6
83.04964	9.5
83.08604	15.4
85.02892	13.4
85.06525	2.0
91.05466	22.6
93.07031	26.1
94.07323	0.6
95.04951	16.5
95.08592	24.0
96.08899	0.7
96.85190	0.5
97.02875	3.2
97.06499	3.1
97.10128	3.2
99.08086	1.3
105.07010	15.7
107.04942	3.4
107.08575	13.9
109.06513	3.2
109.10144	8.9
111.04454	1.9
111.08067	6.2
113.05978	1.8
117.06985	3.6
119.08566	14.7
121.06455	0.7
121.10126	15.2
123.08068	1.9
123.11694	2.9
125.09636	1.9
128.06248	0.5
129.06982	6.8
131.08540	12.0
133.06430	2.0
133.10107	10.2
133.11017	1.0
135.08080	0.9
135.11682	5.7
137.09578	1.6
137.13223	0.6
141.67047	0.5
142.07787	1.3
143.08559	0.7
145.10098	4.7
147.08037	1.9
147.11656	9.4
149.09590	4.7
149.13220	2.9
151.11156	1.6
157.10100	7.1
159.11682	2.3
161.13257	1.7
163.11169	0.9
163.14812	1.7
165.12721	3.5
173.13252	2.5
175.11150	9.9
175.14787	1.0
184.07326	0.8
187.14775	0.6
193.12216	28.8
194.12589	0.9
201.16371	0.6
211.13260	41.2
212.13635	1.2
227.12694	1.4
228.13084	0.6
243.21118	1.5
253.14268	0.7
261.22089	6.4
267.15854	12.0
283.15262	0.8
285.16916	39.6
286.17316	2.2
301.25287	0.7
317.24771	1.6
335.25745	49.4
336.26181	2.2
400.95432	0.6
435.32541	2.1
453.33719	1.6
471.34732	1.3
509.36279	0.7
527.37286	8.4
528.38013	1.2
545.38306	100.0
546.25372	0.5
546.38647	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	742.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.05501	14.2
57.03421	11.3
59.05013	0.8
60.59060	0.6
61.02958	0.7
65.03971	0.9
67.05491	20.0
69.03408	3.7
69.07056	5.7
70.85357	2.2
71.04972	5.3
73.02936	0.8
79.05479	23.0
81.02941	1.8
81.03400	49.7
81.07037	17.6
83.04953	5.0
83.08600	16.9
85.02505	0.6
85.02944	2.5
85.06580	1.7
91.05464	18.7
93.07027	18.5
95.04943	21.1
95.08581	8.5
97.02948	2.2
97.06511	3.8
97.10150	14.3
99.04488	0.8
99.08104	0.9
103.05502	0.7
105.03440	0.9
105.04574	0.6
105.06998	13.7
107.04932	16.8
107.08572	13.0
109.02919	0.8
109.06493	16.4
109.10139	5.9
111.04508	1.5
111.08052	5.6
115.05475	1.9
117.06979	5.3
119.04999	1.2
119.08550	12.0
121.06485	13.9
121.10112	12.2
123.04453	1.7
123.08052	4.3
123.11750	1.3
125.09603	14.1
128.06276	0.8
129.05513	0.8
129.06976	8.9
131.05000	2.0
131.08539	12.4
133.06436	4.6
133.10109	5.6
135.08015	8.6
135.11734	2.7
137.06001	1.3
137.09657	2.6
139.07750	0.6
139.11136	3.1
141.06979	1.3
142.07774	1.5
143.08528	3.6
145.06458	6.4
145.10085	4.6
147.04384	2.9
147.08012	5.7
147.11653	7.1
149.05981	0.6
149.09590	6.1
153.09091	3.4
153.12759	1.3
155.08597	2.8
157.06487	1.2
157.10118	7.6
157.11206	0.7
159.08040	1.5
159.11743	1.4
161.05997	1.1
161.09682	2.0
163.03838	0.7
163.11124	4.5
165.12770	1.5
167.10724	1.1
169.10199	2.3
171.08141	2.5
171.10281	1.2
171.11751	1.7
173.09636	1.4
173.13348	2.6
175.07480	0.7
175.11119	6.8
177.12889	1.3
179.08710	0.6
181.10117	0.9
181.12279	0.8
183.08084	1.4
183.11755	1.5
185.09679	0.9
185.11771	1.1
185.13284	0.9
187.11279	1.6
187.14850	1.7
189.09404	1.1
189.11279	6.7
189.12755	1.7
191.14259	4.7
193.12209	15.7
194.12572	0.7
195.11781	0.9
197.13345	0.9
199.11227	2.3
199.13225	0.6
201.12712	1.6
203.14462	1.1
205.10460	0.7
205.12318	1.7
207.06575	1.5
211.13245	1.4
213.12770	1.4
215.14339	1.8
217.12251	1.4
218.25436	0.7
219.13753	9.7
223.11270	0.9
223.13281	1.2
225.12918	0.7
227.12849	2.1
231.13773	1.5
233.15324	3.5
235.13257	2.0
237.12889	1.2
237.14839	1.2
243.13805	1.0
245.15543	0.9
249.14960	1.8
255.13797	1.5
257.15503	0.7
259.13138	1.3
259.15454	7.2
267.15860	40.3
268.16312	1.4
273.14734	6.2
275.16446	1.0
277.97498	0.7
287.16455	1.2
293.17386	5.9
297.18448	0.7
321.22443	0.9
339.23126	1.7
349.21442	4.7
357.24197	2.5
367.22610	14.4
383.18063	0.8
385.23663	21.9
386.23911	0.7
403.24692	7.1
423.25549	0.7
433.25891	1.9
441.26245	7.8
451.26892	5.7
459.27338	100.0
460.27554	5.4
477.28384	96.3
478.28690	5.6
491.29919	9.7
495.29489	9.4
501.28403	2.2
509.31039	3.4
567.29279	2.2
625.11810	0.7
678.45319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2015
Annotation	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
53.03933	0.2
55.01859	0.1
55.05501	0.1
57.03426	1.1
58.19794	0.1
59.04989	0.1
60.55059	0.1
61.02902	0.1
65.03921	0.5
67.05496	0.1
68.99775	0.5
69.03419	0.2
71.04980	7.0
72.08125	0.1
73.02908	0.1
74.09735	0.1
75.04462	0.3
79.05479	0.1
81.03413	0.6
81.07056	0.1
81.76024	0.1
83.04969	0.5
85.02891	8.1
86.84012	0.1
87.04446	0.2
91.05463	4.0
92.05807	0.1
95.04953	0.3
97.02872	0.7
99.04450	0.1
103.05488	0.1
105.03381	0.2
105.07034	0.2
107.04941	0.5
107.08582	0.1
109.02840	0.7
111.00777	0.5
111.04433	0.4
113.12933	0.1
114.09138	0.1
117.07029	0.1
119.04922	11.3
120.05264	0.2
121.02843	2.1
121.03714	0.1
122.05960	0.1
127.03928	0.5
129.05457	2.1
129.06970	0.1
133.02812	0.5
133.68849	0.1
135.04381	0.2
137.02325	0.7
137.05937	0.2
141.06955	0.1
145.02861	0.1
145.06473	0.2
145.10153	0.1
147.04384	55.6
148.04718	1.3
149.05991	0.1
151.03938	0.1
151.07512	0.1
153.01805	2.5
153.03055	0.2
157.06451	0.4
161.05971	0.2
165.01813	1.6
165.05467	2.3
167.28636	0.1
171.04434	0.2
173.06001	0.1
175.03825	0.2
175.07607	0.1
177.05421	0.3
183.02827	0.7
185.05940	0.6
187.07515	0.2
189.05440	0.2
197.05946	0.1
201.05406	0.2
203.03355	0.1
203.06981	0.3
204.06502	0.1
207.06419	0.2
213.05426	1.2
215.07080	0.1
229.05003	0.1
229.56519	0.1
231.06526	1.0
235.12199	0.1
237.10240	0.1
239.11736	0.1
241.04826	0.7
251.11749	0.2
252.12697	0.1
257.04321	0.1
258.05197	1.0
259.05972	0.4
263.11621	0.2
269.04269	0.1
273.07468	0.2
274.10803	0.1
275.09076	0.4
278.10623	0.1
279.11273	0.5
286.04413	0.2
287.05444	100.0
288.05780	4.3
288.09027	0.2
291.08566	0.9
293.10074	0.5
293.12891	0.1
297.12164	0.1
309.09549	1.8
329.06601	0.2
337.11679	0.1
345.14725	0.1
355.47559	0.1
395.07788	0.1
405.14502	0.2
417.14182	0.1
445.13956	0.2
447.15552	0.2
448.90521	0.1
479.18369	0.1
568.20685	0.5
577.13507	0.5
586.21796	0.2
600.24512	0.1
618.24237	0.2
709.28015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2013
Annotation	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
53.03931	0.1
55.01857	0.2
55.05494	0.2
56.78517	0.1
57.03428	1.0
60.41170	0.1
61.02921	0.1
65.03924	0.5
67.05483	0.1
68.99790	0.4
69.03406	0.2
69.07030	0.1
70.06563	0.1
70.24556	0.3
70.24966	0.2
71.04980	6.3
73.02902	0.2
75.04461	0.3
79.05470	0.1
81.03394	0.5
81.07066	0.2
83.04968	0.4
85.02892	7.2
86.03258	0.1
86.09671	0.1
87.04435	0.2
91.05465	4.7
92.05802	0.1
93.07043	0.1
94.04202	0.1
95.04955	0.2
95.08576	0.1
97.02890	0.4
97.06513	0.1
99.04431	0.2
105.03382	0.3
105.07024	0.2
107.04945	0.4
109.02873	0.3
111.00786	0.6
111.04420	0.4
119.04920	12.4
120.05275	0.3
121.02840	2.0
127.03875	0.5
129.05464	1.8
129.06931	0.1
130.08603	0.2
131.04918	0.1
133.02832	0.4
135.04425	0.1
137.02310	0.6
137.05936	0.2
141.06953	0.1
145.06438	0.2
145.10051	0.1
147.04381	52.7
148.04720	1.2
149.05994	0.1
153.01793	2.7
157.06503	0.4
159.07976	0.1
161.05975	0.3
163.03918	0.1
165.01796	1.4
165.05453	0.8
167.07063	0.2
169.06418	0.1
171.04353	0.3
173.05975	0.2
175.03845	0.2
177.05463	0.3
183.02852	0.8
185.05981	0.3
187.07515	0.3
189.05424	0.1
197.05977	0.1
199.03926	0.1
201.05508	0.2
203.07042	0.2
207.06403	0.1
213.05435	1.2
229.04855	0.1
231.06480	1.0
241.04843	0.7
243.06465	0.2
258.05188	0.9
259.06015	0.3
269.04443	0.2
273.07501	0.3
275.09088	0.2
286.04800	0.1
287.05441	100.0
288.05777	3.7
291.08569	1.2
293.10187	0.5
299.06052	0.1
309.09641	1.5
329.06497	0.2
434.85300	0.1
466.88083	0.1
577.13239	0.3
709.28131	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85292	0.4
53.03927	1.7
54.32995	0.4
55.01862	2.5
55.05502	12.2
57.03427	7.9
57.07051	2.1
61.02900	1.4
65.03912	1.8
67.05493	37.9
69.03395	1.4
69.07056	11.9
69.54176	4.3
71.04961	2.1
73.02865	1.3
77.03921	0.8
79.04798	0.6
79.05479	32.7
81.03387	2.1
81.07041	39.4
83.04961	3.1
83.08161	0.6
83.08607	9.1
84.17709	0.5
85.02879	1.0
85.06505	1.1
91.03954	0.5
91.04915	0.8
91.05467	13.9
93.07028	45.3
94.07318	0.7
95.04961	7.4
95.08592	51.5
97.02876	4.4
97.06512	3.8
97.10151	2.2
99.04433	4.0
103.05434	0.7
105.04488	0.5
105.07013	11.9
107.04935	7.3
107.08575	33.6
109.06516	2.7
109.10141	11.6
111.04453	1.4
111.08029	1.7
113.05969	0.5
113.20638	0.4
115.05441	0.6
117.07000	9.3
119.08566	12.7
121.06487	5.5
121.10126	23.4
123.08035	0.6
123.11691	2.2
125.05952	3.3
129.06970	0.8
130.07726	1.4
131.08554	4.7
133.10109	5.1
135.08003	1.8
135.11670	54.7
137.09564	0.6
137.13179	0.6
139.07507	1.6
139.11031	0.5
145.10098	29.0
146.10410	0.7
147.11674	3.4
149.09483	0.5
149.13225	3.5
153.12718	0.9
159.11661	2.2
161.13213	1.5
163.11157	63.6
163.14789	1.5
164.11540	0.8
173.09570	0.6
173.13231	1.9
175.14754	0.8
177.16362	0.5
181.12189	11.1
187.14818	0.7
209.11795	1.7
227.12744	75.9
228.13177	0.8
243.21045	2.9
261.22092	7.1
283.15359	100.0
284.15732	1.3
296.87799	0.5
317.24689	2.8
335.25751	94.7
336.26117	1.7
390.09857	0.5
543.36737	89.8
544.37073	2.9
561.37219	0.7
692.74121	0.5
774.58594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94651	0.2
52.76735	0.2
53.03931	1.2
54.99339	0.2
55.01862	2.2
55.05505	11.4
57.03431	8.2
57.07057	1.5
61.02914	1.0
65.03926	1.9
67.05495	37.7
68.05813	0.5
69.03426	1.5
69.07059	10.7
70.98041	0.5
71.04980	2.3
71.08595	0.3
73.02911	1.1
77.03909	0.5
79.05481	29.4
81.03402	1.8
81.07043	37.4
83.04963	2.7
83.08605	8.8
85.02889	1.1
85.06527	1.5
86.09698	0.3
87.04427	0.3
91.03949	0.4
91.05467	13.3
93.07031	41.0
94.07343	0.5
95.04953	6.1
95.08593	43.2
96.08922	0.5
97.02871	3.4
97.06510	3.1
97.10135	1.7
99.04441	2.3
99.08083	0.5
101.34328	0.2
103.05452	0.5
105.04575	0.5
105.06307	0.5
105.07014	9.7
107.04944	4.9
107.08577	27.0
109.06482	2.2
109.10144	11.0
109.10727	0.2
110.10465	0.4
111.04485	1.3
111.08056	1.2
112.26778	0.3
113.06020	0.3
113.09593	0.4
115.05448	0.4
116.06198	0.3
117.06999	7.7
119.08565	11.4
120.08893	0.3
121.06481	3.2
121.10126	16.4
122.10442	0.6
123.08078	0.9
123.11672	2.5
125.05945	1.9
125.09591	0.5
127.07544	0.4
129.06999	0.7
130.07736	1.1
131.08546	4.1
131.43535	0.3
133.10120	6.0
135.08080	1.7
135.11671	37.0
136.11993	0.7
137.09575	0.7
137.13243	0.8
139.07536	1.6
139.47391	0.3
143.08511	0.9
145.10103	21.7
146.10394	0.5
147.11673	2.3
147.73715	0.3
149.13258	2.8
151.11093	0.4
153.12703	0.5
155.08507	0.3
157.10117	0.4
159.11678	2.2
161.13252	1.6
163.11157	41.8
163.14784	1.3
164.11491	0.6
171.11665	0.4
173.09601	1.0
173.13206	1.6
175.14873	0.7
177.16357	0.4
181.12202	7.6
184.07347	1.2
187.14832	0.9
188.09734	0.3
189.16383	0.3
201.16281	0.3
209.11745	0.9
219.17389	0.4
227.12747	46.7
228.13109	0.9
243.21030	2.0
261.22119	6.1
283.15369	50.8
284.15726	1.1
317.24792	2.0
335.25754	100.0
336.26184	3.2
352.07040	0.3
448.39972	0.3
475.30627	0.4
503.37036	0.4
543.36743	80.5
544.36963	4.5
682.89691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02114	0.5
53.00275	0.7
53.03924	2.5
53.23743	0.7
55.01867	8.6
55.05502	19.8
57.03428	16.0
57.07055	2.5
59.04974	2.5
60.08157	0.8
61.02914	5.0
65.03916	2.0
67.05492	43.6
69.03403	2.4
69.06740	0.7
69.07061	12.0
69.65945	5.4
71.01304	1.4
71.04981	3.7
72.08130	1.2
73.02879	1.5
79.05479	34.0
81.03404	10.6
81.07043	44.6
81.56280	0.5
82.07383	0.6
83.01328	9.0
83.04966	10.0
83.08602	14.7
85.02889	6.8
85.06526	1.9
86.06030	0.5
86.09689	3.8
87.04436	0.8
87.09984	1.2
91.03922	2.3
91.05462	20.0
91.06027	1.2
93.07028	41.6
95.04954	7.6
95.08588	28.2
97.02879	4.0
97.06523	4.8
97.10142	3.7
98.21400	1.1
99.04412	2.6
99.08041	0.8
103.05460	1.0
105.04499	0.8
105.07004	15.2
107.04927	7.3
107.08572	26.1
109.06506	6.5
109.10126	13.5
111.04429	2.4
111.08065	2.8
111.11641	0.7
115.05385	0.7
116.06213	0.6
117.06995	9.7
119.08554	15.0
121.06494	3.2
121.10126	16.9
123.08053	8.6
123.11724	3.4
124.22482	0.7
124.99995	4.2
125.05965	1.3
125.09620	3.1
129.06975	2.2
130.07756	0.9
131.04921	0.9
131.08543	9.5
133.06465	0.7
133.10101	8.3
135.07999	2.5
135.11667	15.3
137.09581	2.1
137.13187	1.5
143.08537	1.4
145.06366	0.7
145.08958	1.0
145.10097	16.9
147.07986	1.9
147.11658	4.7
149.09586	1.4
149.13223	4.9
153.12724	2.6
155.08510	2.3
157.10098	1.4
159.11650	4.1
161.13258	3.3
163.11163	20.0
163.14803	2.6
169.10144	1.0
171.11620	0.7
173.09601	3.0
173.13206	5.1
175.14810	1.5
177.16380	0.9
179.14246	0.8
181.12213	3.5
183.11661	1.1
184.07310	16.3
185.07668	3.6
185.13335	0.9
186.07722	1.8
187.14832	2.0
189.11195	1.6
191.10623	2.5
193.12231	1.5
199.14836	1.1
201.16348	1.1
209.11697	6.8
211.13287	1.8
227.12755	10.3
228.33578	0.6
241.19531	0.7
243.21033	5.5
259.20496	2.0
261.22098	12.1
265.14301	0.7
267.15814	1.4
283.15356	100.0
284.15646	2.2
285.16837	0.8
299.23724	3.6
317.24600	4.3
333.24167	1.7
335.25754	73.0
336.26041	2.2
339.49661	0.7
433.30771	1.4
451.32111	3.6
469.33255	2.7
487.34222	1.0
515.37366	1.0
525.35791	4.3
543.36743	51.1
544.36993	1.9
561.37683	2.4
690.45801	1.7
740.42786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	1.7
55.05500	4.9
57.03423	3.8
57.07050	0.8
59.04982	0.4
61.02902	0.6
65.03908	0.9
67.05493	16.4
68.51144	0.3
69.03416	1.6
69.07059	3.8
71.04984	8.2
71.40862	0.5
73.02904	0.6
79.05477	8.4
80.05802	0.3
81.03403	15.1
81.07041	24.0
83.04964	2.1
83.08604	6.6
85.02890	1.0
85.06525	3.3
87.04432	0.5
90.29077	0.3
91.05463	12.0
92.05806	0.4
93.07031	8.1
94.07369	0.4
95.04951	10.0
95.08591	6.3
97.02868	0.8
97.06506	2.2
97.10157	2.7
99.04391	0.4
99.08072	0.6
104.32746	0.3
105.07008	7.6
107.04936	6.2
107.08572	9.4
109.02859	0.4
109.06494	6.1
109.10136	4.3
111.08059	2.3
115.05466	0.4
117.06998	3.3
119.04909	1.0
119.08567	5.0
121.06490	5.8
121.10121	4.4
123.04444	0.4
123.08063	1.9
123.11680	4.0
125.09604	2.6
127.03875	0.5
129.06960	3.4
131.04901	0.8
131.07629	0.5
131.08540	6.6
133.06461	1.7
133.10104	7.0
135.07985	1.8
135.11661	2.7
137.09598	0.7
141.06952	0.9
142.07736	0.7
143.08528	1.3
145.06485	1.4
145.10110	3.0
147.04410	0.6
147.08009	2.0
147.11667	3.3
149.05942	0.3
149.09592	4.5
149.13210	1.8
151.07561	0.3
151.11163	2.7
151.63194	0.3
153.09097	0.4
155.08508	0.9
157.06419	0.3
157.10092	2.8
159.08043	0.9
159.11652	2.1
161.09595	1.0
161.13251	0.6
163.11162	1.7
165.12688	0.9
167.08601	0.5
169.10091	0.8
171.08110	0.6
171.11597	1.5
173.09650	0.6
173.13234	1.9
175.11121	2.4
175.14783	0.4
177.12685	0.9
181.10083	0.7
183.11716	0.5
183.13771	1.0
185.13255	1.0
187.11197	0.7
187.13249	1.4
187.14841	0.5
189.09099	0.5
189.11183	1.1
189.12700	0.5
191.14323	1.5
193.12222	3.5
195.11681	0.3
197.13191	0.7
199.11128	0.4
199.14807	0.7
201.12697	0.8
203.14301	0.6
205.12285	0.8
209.13226	0.4
211.14786	0.4
213.12790	0.5
217.12241	0.5
217.15871	0.7
219.13756	3.1
219.17281	0.5
221.15300	0.6
223.13217	0.9
227.12747	0.6
231.13783	0.5
233.15298	0.4
237.14842	0.4
243.15823	0.6
245.15382	0.3
249.14838	1.3
251.16415	0.4
257.17526	0.7
257.22583	0.3
263.16425	0.4
267.15872	6.9
269.17447	1.0
273.14816	0.3
273.18411	0.6
275.16406	0.8
279.15948	0.3
285.17044	0.4
293.17358	0.5
299.18866	0.3
301.19980	3.3
315.23190	0.5
325.21393	1.3
343.22623	4.1
351.23129	1.2
361.23694	1.2
369.24295	2.0
371.25958	0.5
387.25293	0.9
397.27570	0.3
407.25635	0.6
417.26276	2.7
425.26779	1.7
435.27341	11.7
436.27847	0.7
439.35657	7.4
443.27869	7.3
461.28912	100.0
462.29340	5.4
475.30600	1.2
493.31567	5.0
535.32111	0.3
543.29840	0.4
557.67328	0.3
569.30707	0.6
577.34027	0.3
587.32300	0.7
589.33453	0.5
601.33789	0.4
605.32855	0.7
619.34814	0.7
637.35510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01862	10.4
55.05500	41.4
57.03425	30.7
57.07062	2.3
59.04987	32.2
61.02908	5.7
65.03925	3.3
67.05491	100.0
68.05820	1.0
69.03419	11.5
69.07052	17.0
70.06561	1.5
71.04978	21.0
73.02892	2.6
73.06519	1.0
79.05008	2.1
79.05476	50.7
81.03398	96.6
81.07037	59.5
82.03738	1.1
83.01323	1.1
83.04961	33.1
83.08601	35.6
85.02884	30.2
85.06509	6.2
86.09695	1.7
87.04453	40.9
91.03937	3.0
91.05462	58.2
92.05790	2.4
93.07027	38.4
94.07350	1.8
95.04951	42.2
95.08591	27.2
97.02876	11.7
97.06509	12.4
97.10151	20.3
98.21452	2.3
99.04439	18.1
99.08061	2.5
100.48618	0.9
101.05990	1.2
103.05436	1.6
105.07005	34.5
107.04929	21.4
107.08570	30.2
109.02866	3.9
109.06503	9.7
109.10133	63.3
110.10448	1.2
111.04407	14.0
111.08064	18.0
113.05985	2.7
115.05434	2.8
116.06221	1.6
117.06999	6.9
119.04906	13.9
119.08557	31.7
120.05256	3.5
121.02849	3.5
121.06483	8.1
121.10126	20.4
122.07185	1.4
123.04406	2.4
123.08042	10.8
123.11688	2.7
125.05988	2.1
125.09601	17.0
127.03923	3.0
127.07534	1.5
129.05511	1.3
129.06978	17.6
130.07741	1.0
131.04892	1.4
131.08536	19.8
131.09438	1.6
133.06450	4.9
133.10101	18.0
135.04401	2.0
135.08020	10.8
135.11670	14.0
136.08394	1.3
137.06007	2.1
137.09599	7.6
142.07741	4.3
143.08549	2.5
145.06563	2.2
145.10085	12.4
147.04373	13.8
147.05457	1.6
147.08017	5.9
147.11653	20.3
148.04736	2.6
149.09566	12.0
149.13251	1.8
151.11104	3.1
153.07076	1.1
153.12714	16.6
155.08546	2.3
155.10681	4.3
157.10081	19.1
159.08162	1.0
159.11630	1.9
161.09575	2.4
163.03922	1.4
163.11147	19.4
165.08974	1.3
165.12679	5.0
173.09581	3.8
173.11714	21.4
175.03864	18.6
175.11147	18.1
175.14856	1.4
176.04201	6.8
176.11569	1.4
177.05513	1.7
177.12633	1.8
181.12172	11.1
183.11630	1.3
185.13268	2.1
189.09074	0.9
189.11244	2.4
191.10623	9.6
191.14267	21.9
192.14606	11.3
193.12199	63.7
193.15929	2.0
195.08241	1.3
199.13231	8.5
203.14485	1.2
205.12251	1.0
207.06482	46.9
208.04846	1.4
208.06810	21.2
208.08685	1.9
209.11670	9.1
211.13239	76.3
217.14265	2.4
219.13791	2.4
223.13222	3.1
225.14679	1.3
227.12735	24.9
229.14302	71.3
241.14223	5.3
247.13264	7.0
249.14825	3.8
257.13962	1.1
265.14423	1.2
267.15863	61.3
268.16220	2.0
273.14859	1.2
283.15347	23.6
285.16922	47.0
286.17340	1.2
287.16669	1.0
313.16367	3.5
315.17975	7.8
321.16943	1.2
337.11584	1.0
351.10864	1.2
369.11765	2.6
370.12106	2.9
383.21979	5.3
391.25101	1.4
401.23099	2.9
409.25772	5.3
421.25775	23.2
421.31055	1.7
427.26855	9.3
435.27274	2.7
439.26825	98.2
443.27505	1.5
447.27325	4.0
457.25522	3.6
461.28885	20.2
467.26096	1.3
475.26810	18.4
476.27798	1.4
493.27713	7.7
507.29483	1.3
511.29208	1.5
525.30499	9.1
542.73328	1.1
543.31915	5.4
740.31390	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	739.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
54.19339	2.1
55.01854	15.3
55.05499	31.3
57.03428	19.0
57.07077	2.5
59.04990	4.0
61.02910	7.6
64.47271	1.7
65.03908	3.1
67.05129	3.8
67.05491	73.9
67.92482	2.0
69.03419	22.7
69.07053	21.6
71.04977	13.9
71.79871	2.6
73.02892	4.7
77.84669	2.3
79.05479	62.0
79.62946	1.9
81.03405	84.7
81.07041	100.0
82.07372	5.5
83.04962	25.1
83.08601	35.1
85.02895	24.8
85.06525	6.1
86.09754	2.6
87.73553	1.9
91.03942	5.0
91.05463	64.4
92.05786	2.8
92.72428	1.9
93.07023	64.0
95.04943	38.0
95.08587	32.2
97.02871	16.0
97.06523	16.4
97.10137	12.7
99.04425	5.8
99.08102	4.5
103.05460	3.0
105.07019	64.2
106.07353	2.6
107.04950	20.6
107.08572	40.8
108.08924	2.3
109.02880	8.9
109.06503	11.5
109.10136	26.6
111.04427	7.8
111.08069	11.5
111.99995	2.1
115.05427	3.9
116.43311	1.9
117.07001	20.0
119.08553	47.9
120.08861	3.1
121.06484	9.2
121.10117	24.9
123.04396	3.5
123.08057	9.3
123.11718	10.1
123.12546	1.7
125.06055	2.5
125.09637	10.0
127.03876	7.2
127.07486	2.1
128.06169	2.6
129.05447	5.2
129.06999	19.8
131.04857	3.7
131.08559	33.9
133.06485	4.1
133.10100	41.2
134.10439	2.5
135.08035	10.2
135.11684	11.6
137.09598	6.0
141.06923	3.8
142.07730	3.7
143.07355	1.9
143.08537	8.4
145.06467	2.7
145.10095	26.4
147.08046	6.0
147.11659	29.7
149.09558	14.9
149.13226	11.1
151.11176	9.2
155.08498	4.5
157.10081	18.6
159.08026	5.1
159.11661	16.9
161.09583	5.1
161.13222	4.5
163.11159	10.2
165.12715	6.3
169.10089	6.9
171.11690	7.5
173.04422	12.1
173.09592	2.3
173.11794	3.0
173.13252	7.5
175.11160	14.3
177.12718	6.5
181.10109	2.0
183.11688	5.6
185.13226	4.4
187.11113	2.8
187.13237	2.7
187.14761	3.3
189.11180	3.1
193.12204	30.8
195.13710	2.8
197.13159	3.0
199.11090	2.4
199.14801	3.4
203.14278	3.1
205.12123	2.9
211.13245	36.0
211.15089	2.4
213.12645	3.8
221.04465	2.0
221.13237	2.3
223.13136	3.1
227.12814	9.0
227.39198	2.1
229.14270	3.6
239.18036	3.3
247.20595	2.3
249.14792	2.3
253.14163	9.7
257.19003	6.2
259.20490	2.2
267.15866	44.6
269.17395	11.4
273.14890	4.1
273.18430	4.8
275.19989	41.8
276.20334	5.0
285.16956	23.9
291.19427	6.2
293.21155	4.8
301.14194	2.6
309.16934	3.9
331.22815	3.6
339.18326	3.8
349.23645	37.3
351.32535	2.3
367.24673	7.3
413.21524	5.5
429.20981	4.1
443.27689	3.2
461.28928	21.7
475.26498	2.3
479.29971	37.1
480.30472	2.8
501.31976	4.5
541.35065	27.9
542.35547	3.5
543.36383	3.2
545.37451	2.6
559.36224	39.6
569.31085	3.3
577.37195	16.4
583.35992	2.6
598.14899	2.6
601.37054	2.9
605.32867	4.9
623.34064	19.2
624.33783	3.1
667.37897	2.7
685.39545	2.3
703.40100	6.2
721.40900	8.0
739.35889	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	738.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
56.05019	0.4
57.03432	0.1
57.07059	0.4
58.06625	0.4
59.07142	0.1
59.07401	0.2
60.08155	6.1
67.05492	0.3
69.04538	0.1
69.07015	0.1
70.06580	0.1
71.07360	2.7
71.08614	0.1
79.05469	0.2
81.02141	0.1
81.03397	0.5
81.07027	0.2
83.08609	0.2
85.10181	0.1
86.09692	30.2
87.10018	0.3
91.05492	0.2
93.07037	0.2
95.04976	0.2
95.08591	0.3
97.02903	0.1
97.10158	0.1
98.98450	2.5
104.10725	2.2
105.07039	0.2
107.08591	0.1
109.10138	0.1
118.63860	0.1
121.10193	0.1
124.99982	18.8
126.00327	0.1
131.08542	0.1
138.64204	0.1
143.01010	0.3
147.11476	0.1
157.10159	0.1
166.02664	0.2
184.07315	100.0
185.07674	1.0
193.12177	0.2
267.15869	0.7
293.44116	0.1
313.27362	0.6
496.33878	0.1
505.38754	0.6
547.39581	0.1
639.72870	0.1
688.45380	9.4
689.45782	0.7
707.02710	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	739.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.7
55.01625	2.0
55.01865	26.4
55.05231	2.1
55.05502	43.5
57.03426	23.2
57.07051	4.6
57.73589	1.4
59.04985	2.2
61.02919	17.6
61.73282	1.6
62.21841	1.5
64.79238	1.5
65.03920	4.5
67.05493	86.7
69.03424	21.2
69.07058	36.7
69.76604	5.4
69.77040	6.9
71.01334	1.8
71.04978	15.4
71.97256	1.3
73.02902	7.4
79.05009	3.4
79.05479	85.9
81.03402	86.5
81.07042	100.0
82.07372	1.7
83.04964	28.9
83.08605	36.2
84.48106	1.6
85.02891	40.0
85.06506	6.0
91.03960	8.5
91.05465	82.6
91.90617	1.8
93.07029	69.0
95.04949	41.7
95.08587	41.6
97.02879	22.1
97.06515	43.4
97.10149	26.0
98.20667	2.2
99.04413	3.9
99.08058	4.9
103.05447	4.1
105.07011	84.6
106.07310	2.4
107.04929	28.5
107.08575	59.7
109.02850	6.5
109.06495	13.7
109.10131	27.3
111.04424	8.5
111.08071	16.4
113.05989	2.5
113.09609	1.8
115.04038	1.6
115.05441	5.1
117.06999	22.2
119.04881	1.9
119.08556	58.2
120.08922	2.0
121.06500	9.5
121.10119	28.6
123.04389	2.8
123.08048	9.2
123.11701	8.7
123.78532	1.7
125.09606	23.3
127.03889	8.4
128.06133	2.6
129.05472	2.5
129.06970	22.4
130.07765	2.0
131.08539	43.2
132.30008	1.6
133.06450	6.7
133.10109	43.0
133.11118	2.4
133.90163	1.6
134.10452	2.3
135.08038	12.0
135.11694	9.5
137.09599	5.4
139.11136	2.0
141.06944	4.2
142.07732	4.6
143.08539	11.2
145.04904	1.9
145.06491	3.5
145.10106	29.1
147.08075	8.5
147.10539	3.1
147.11659	39.1
149.09583	37.8
149.13206	5.4
151.11142	5.3
153.09071	3.2
154.07628	1.8
155.08566	5.1
157.10089	28.8
159.08003	2.7
159.11671	18.6
161.05832	2.2
161.09604	6.8
161.13217	7.6
163.11176	14.4
165.08980	2.4
165.12701	6.3
169.10092	6.2
171.07994	2.1
171.10249	2.9
171.11670	7.1
173.04401	5.5
173.09593	4.5
173.11703	5.2
173.13229	9.0
175.11169	20.4
175.14864	3.0
177.12732	4.8
179.14259	3.4
181.10077	3.4
181.12135	3.0
183.11668	8.1
185.09550	1.7
185.13191	4.4
187.11195	4.4
187.13255	2.9
187.14851	2.0
189.11159	13.0
189.12685	3.0
191.14200	1.9
193.10294	2.5
193.12206	54.5
193.13980	3.2
194.12564	2.0
195.11696	2.6
195.13699	3.1
197.09534	2.6
197.13240	5.1
198.10283	1.8
199.11186	2.7
199.14894	1.6
203.01021	1.6
204.55206	1.6
205.12265	2.3
207.13881	1.8
211.11215	3.6
211.13245	73.2
212.13673	2.0
213.12744	2.0
213.16318	2.0
217.15820	1.9
219.13855	2.0
219.94617	1.7
227.12732	45.4
229.14276	5.2
229.19528	3.2
233.15404	2.0
239.17935	6.0
245.13733	3.5
247.20551	2.8
257.19058	12.5
259.16919	1.7
267.15857	46.6
269.17471	5.2
273.15100	1.8
273.18411	2.4
275.20010	83.1
276.20425	3.5
283.15308	2.3
285.16913	60.9
286.17279	3.1
291.19510	3.9
293.20947	3.5
299.20126	3.4
313.21582	2.5
331.22540	3.7
347.22131	3.1
349.23688	53.1
350.24051	3.6
367.24725	6.7
381.22650	6.1
413.21591	3.7
421.25305	2.2
429.21042	3.5
431.29498	1.8
435.27505	2.3
437.25314	7.7
439.26758	3.3
443.27353	2.2
445.29398	3.2
455.26355	8.0
461.28900	14.2
463.30368	8.7
467.31570	3.8
479.29874	18.2
485.32327	1.9
501.31644	5.5
523.33997	3.6
541.35217	37.3
542.35852	2.7
559.36206	69.0
560.36438	5.8
577.37189	22.3
578.37659	1.9
605.33191	2.7
607.37500	1.9
623.33917	7.8
667.37335	3.2
685.38922	2.3
703.40021	7.0
721.41193	6.4
739.40875	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	737.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.4
55.01855	6.8
55.05505	26.8
57.03419	7.7
57.07055	2.2
57.22467	1.0
59.04987	2.3
61.02913	17.1
65.03927	3.1
67.05493	46.9
69.03416	10.5
69.07060	15.9
69.11955	0.9
71.04980	12.0
73.02905	7.3
79.05479	35.4
81.03408	16.9
81.07040	43.6
83.04968	7.6
83.08605	16.5
85.02884	13.5
85.06526	5.9
91.03952	7.4
91.05461	35.7
93.07027	38.2
95.04951	8.9
95.08590	30.5
97.02860	11.2
97.06507	5.6
97.10155	16.3
99.04438	2.4
99.08071	3.3
101.02379	2.1
101.06055	1.1
105.07008	33.6
107.04932	5.4
107.08577	23.2
107.09300	1.4
109.02875	2.6
109.06480	5.1
109.10139	16.0
111.04411	2.8
111.08054	6.4
113.05903	1.0
115.05424	3.2
117.07002	18.8
119.08559	25.8
121.06499	5.1
121.10119	13.8
123.08031	3.4
123.11682	3.6
125.09597	14.0
127.03880	3.3
128.06195	4.8
129.06982	14.2
130.07762	1.9
131.07629	2.0
131.08546	27.3
133.06464	3.3
133.10107	19.1
135.08076	7.1
135.11674	8.4
137.09607	2.3
141.06955	6.4
142.07739	3.5
143.08556	18.0
144.09279	1.3
145.04971	1.0
145.06410	2.3
145.10103	21.3
146.07324	1.3
147.08023	4.7
147.11647	9.8
149.09566	5.2
149.13206	2.2
151.11185	1.6
153.07040	1.9
153.09024	1.8
155.08522	12.0
156.09245	2.0
157.08827	1.8
157.10081	17.0
159.08014	4.6
159.11662	17.6
161.09615	4.1
161.13199	4.7
163.11179	3.8
166.07690	1.2
167.08543	5.6
168.09328	1.9
169.10101	13.0
171.08018	1.4
171.11659	18.1
173.04459	1.6
173.09628	4.0
173.13239	11.4
175.11172	4.2
177.12740	1.6
179.08548	2.2
180.09203	1.5
181.10114	8.7
182.10944	2.0
183.11659	10.2
183.71103	0.9
185.09569	1.9
185.13217	11.2
187.11159	4.0
187.13286	1.6
187.14803	4.4
189.11186	4.7
189.12691	2.0
189.16191	1.3
191.10542	1.1
193.10144	2.9
193.12160	3.2
194.10774	1.2
195.11652	7.8
197.13269	8.6
199.11266	1.8
199.14775	6.2
201.12753	1.8
201.16397	1.9
203.14296	1.4
207.11678	2.6
209.13290	5.7
211.11192	1.9
211.13052	2.1
211.14830	3.0
213.12714	1.4
213.16383	1.5
215.14215	1.9
217.15816	2.5
219.11694	1.4
221.13234	4.2
223.14870	5.3
225.12761	1.7
225.16318	3.0
227.12720	9.0
229.14204	1.5
229.52281	1.5
233.15497	1.3
235.14737	1.8
237.16364	1.8
240.44267	1.1
255.17523	1.4
259.20663	1.9
263.17923	1.6
265.19354	1.4
267.15823	3.9
273.18460	3.6
275.20099	3.1
281.22556	1.2
283.20514	3.6
285.16782	1.2
285.22128	2.7
287.20007	1.7
291.19540	3.4
297.21951	2.5
299.19931	3.3
299.23636	7.8
301.21597	2.5
307.20276	1.1
311.20111	1.3
321.21863	1.7
325.21542	1.3
327.23111	1.3
337.21680	1.7
339.23029	2.1
349.24039	2.6
353.24625	2.2
355.26233	1.6
357.24048	2.9
365.23318	2.5
372.03879	1.2
375.25119	1.2
415.29773	4.1
421.25708	2.7
429.21130	2.1
433.30923	14.7
435.27307	1.6
443.27734	4.2
451.32126	11.4
461.28384	2.8
465.33496	1.5
469.33334	6.2
471.32431	1.8
483.34537	1.8
487.34311	1.4
489.33942	1.8
499.34015	2.4
507.34604	9.4
515.37439	1.4
517.35175	15.7
525.35693	73.2
526.35852	4.6
539.37799	2.0
543.36725	100.0
544.37042	7.7
557.38538	23.2
575.39337	27.8
576.39410	2.0
612.72241	1.2
679.40332	2.7
687.40936	5.3
705.41718	3.7
719.41547	3.2
737.33191	2.2
737.43982	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	737.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
53.31569	0.8
55.01863	14.5
55.05501	26.9
57.03429	12.4
57.07060	2.8
58.16210	0.9
59.04988	2.3
61.02907	3.0
65.03922	3.7
67.05492	79.6
68.05820	1.9
69.03417	19.4
69.07053	25.7
71.01334	1.4
71.04594	2.1
71.04976	30.0
73.02925	1.7
73.06524	1.0
77.03947	1.0
79.05482	53.9
80.05811	1.5
81.03403	43.8
81.07041	100.0
82.07367	1.5
83.04965	18.1
83.05456	1.2
83.08604	16.3
85.02888	10.1
85.06519	6.7
86.02636	1.1
87.04459	1.9
91.05461	57.7
92.05790	2.1
93.07027	51.8
93.85043	0.9
94.07320	2.0
95.01325	2.5
95.04953	15.9
95.08589	36.1
97.02879	16.1
97.06509	22.8
97.07143	0.9
97.10151	9.9
99.04443	4.4
99.08084	3.8
103.05456	1.9
105.04520	1.2
105.07013	50.0
106.07335	1.0
107.04939	14.8
107.08577	35.1
107.25890	1.1
108.08849	1.4
109.02867	10.6
109.06512	11.8
109.10139	23.8
110.10444	1.3
111.04440	6.5
111.08076	5.5
113.05990	2.7
113.09618	1.6
115.05442	2.9
117.07001	19.3
117.07778	1.0
117.08876	0.9
117.57952	0.9
118.07304	0.9
119.04913	1.5
119.08570	30.9
121.06498	7.2
121.10118	19.3
123.04429	2.3
123.08056	6.8
123.11687	13.3
125.09605	9.2
127.03912	8.3
127.07525	1.7
128.06194	1.9
129.05492	3.1
129.06956	7.6
131.04922	1.1
131.08540	20.2
133.06477	5.1
133.10109	34.4
135.08063	6.6
135.11682	10.4
137.05988	1.6
137.09613	4.5
139.07492	1.3
139.11134	1.5
140.60768	1.1
141.07007	4.7
142.07739	1.7
143.08537	9.7
145.04990	1.7
145.06458	3.9
145.10097	21.1
147.04407	1.1
147.08047	3.8
147.11671	18.9
149.09587	16.1
149.13235	11.1
151.07538	1.7
151.11154	7.4
153.09088	2.3
155.08514	4.3
157.10078	8.7
159.08049	3.1
159.11670	16.4
161.09619	4.4
161.13257	5.9
163.11139	7.0
163.14799	1.3
165.09171	1.7
165.12756	3.5
167.08507	2.4
169.10094	5.9
169.12318	1.2
171.08031	1.8
171.10265	1.8
171.11612	6.5
173.04442	15.2
173.09605	3.8
173.11734	2.6
173.13278	4.5
175.11145	6.1
177.12737	5.6
179.08644	1.0
179.10628	1.4
179.14290	3.3
181.10049	1.9
183.11711	5.4
183.13730	1.7
185.09607	2.0
185.13232	4.1
187.11211	3.7
187.13287	5.5
187.14787	2.4
189.09142	1.9
189.11179	3.7
189.12747	3.0
193.10272	1.5
193.12241	2.9
195.11745	2.7
195.13791	4.0
196.08861	1.2
197.13272	4.0
199.11259	1.4
199.14803	2.1
201.12827	1.2
201.14919	2.5
207.13614	1.2
209.13394	1.3
211.13109	1.4
211.14847	1.9
217.15851	1.2
225.12880	1.4
225.14856	3.5
227.12668	7.7
229.14302	2.8
229.19485	1.9
239.17914	3.3
243.15936	3.7
247.20540	2.6
257.15161	1.4
257.18961	5.8
259.20474	1.3
267.15863	4.9
269.17438	7.6
271.16833	1.4
273.18466	4.1
275.20016	47.1
276.20367	3.0
277.21329	1.7
281.17963	1.0
285.17023	1.7
291.19531	2.8
293.20990	6.0
301.20129	4.3
331.22626	2.0
339.18124	1.6
347.22092	1.6
349.23657	23.1
374.99423	1.1
377.18961	1.1
383.22034	3.1
392.13431	1.1
395.20261	1.3
397.25360	2.0
401.23163	1.4
413.21735	3.9
419.23843	1.2
423.27380	2.3
425.30209	1.2
433.30872	1.9
445.24237	7.7
445.29498	1.5
451.31735	2.7
457.25122	1.5
469.33328	1.3
475.26773	1.5
499.34314	3.2
515.37726	2.1
517.28076	1.8
517.35291	29.5
518.35382	1.2
519.36420	2.9
525.35596	7.6
531.36621	5.5
539.33490	1.2
541.35016	2.2
543.36737	35.7
544.36804	3.4
549.37463	2.7
557.35535	3.2
559.36249	1.6
575.39703	10.0
661.38574	1.7
669.39502	2.0
687.41071	7.4
701.41724	2.1
705.42487	5.0
719.43457	10.3
737.32770	8.0
737.44897	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	737.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77961	2.2
53.03942	14.3
55.01865	24.7
55.05505	58.3
57.03437	22.1
57.07056	3.5
58.68126	1.8
59.04982	2.8
61.02901	9.2
65.03914	6.8
67.05497	97.2
68.05816	3.0
69.03413	35.5
69.07054	39.4
71.04660	2.1
71.04987	19.1
71.79483	2.8
73.02888	6.3
77.03865	2.4
79.05013	4.3
79.05481	87.6
81.02936	3.8
81.03407	92.0
81.07045	100.0
82.07378	2.6
83.01316	3.6
83.04970	41.5
83.08604	41.5
85.02892	41.5
85.06528	7.5
91.03954	2.8
91.04919	5.1
91.05467	89.6
93.07031	77.1
95.01308	4.7
95.04956	48.2
95.08590	50.6
96.08918	3.0
97.02872	23.7
97.06532	28.0
97.10154	34.7
99.04449	11.8
99.08056	4.0
103.05454	3.6
105.06324	3.8
105.07012	63.4
107.04929	27.2
107.07900	3.7
107.08583	51.5
109.02871	13.7
109.06511	17.9
109.09399	3.1
109.10143	41.8
110.10499	2.9
111.04408	21.4
111.08085	13.5
113.05972	2.5
115.03878	4.1
115.05424	4.0
116.06254	2.3
117.06998	26.9
119.08567	59.2
121.06480	12.2
121.10139	32.4
123.04408	6.8
123.08064	16.6
123.11681	8.9
125.09594	26.7
127.03921	13.4
128.06195	3.8
129.05443	9.6
129.06998	20.5
131.08539	38.0
133.06467	7.3
133.10114	37.3
135.08051	15.0
135.11685	16.7
137.06003	2.6
137.09607	7.5
139.07521	3.5
141.06946	5.6
142.07736	5.9
143.08528	16.2
145.06477	8.1
145.10101	35.0
147.08006	14.1
147.11678	28.4
148.12035	2.7
149.09595	23.5
149.13274	5.6
151.11145	5.8
153.09052	3.5
153.12730	4.5
155.08516	6.0
157.06502	3.2
157.10118	23.0
159.07982	6.8
159.11687	14.5
161.09566	8.1
161.13228	9.5
163.11159	24.7
163.64984	2.2
165.09035	3.4
165.12755	4.7
167.08482	4.6
169.10115	7.0
171.10240	2.9
171.11649	9.9
173.04424	7.0
173.09550	9.6
173.11852	3.7
173.13245	7.9
175.07603	2.7
175.11174	15.9
177.12677	4.1
179.10603	2.8
179.14355	4.4
181.10086	3.0
181.12218	6.4
183.11647	7.5
185.09705	2.7
185.13260	5.8
187.11201	3.5
187.13242	3.4
189.09560	2.5
189.11183	14.7
189.12726	4.6
191.10661	5.7
193.12192	24.1
197.13185	3.7
199.11151	4.7
203.14233	3.0
204.13799	8.6
205.12238	3.6
209.11569	5.7
211.11400	4.1
211.13268	36.9
219.13768	4.0
223.13240	6.2
227.10678	4.4
227.12733	35.3
229.14342	4.0
237.16379	3.1
239.17995	3.0
245.18845	3.1
249.14868	3.7
257.19070	3.3
261.14612	2.8
267.15860	28.8
269.17432	5.1
273.18396	27.9
275.20004	38.1
281.17462	2.8
283.15393	32.9
285.16904	14.5
287.10156	4.0
291.19507	51.3
293.20999	3.0
309.17148	2.2
313.21466	6.4
331.22705	2.8
339.09686	7.6
347.22025	8.1
349.23709	22.5
365.23148	29.7
367.09082	3.0
367.23575	2.5
385.10162	17.7
429.21021	10.8
437.24966	3.7
453.24557	3.4
459.27438	5.6
461.28995	4.6
463.26767	2.8
465.29279	3.3
477.28247	9.9
483.30695	4.3
495.28641	3.2
509.27173	2.4
523.81085	2.3
525.35730	4.2
528.37201	3.1
528.92218	2.6
539.33838	13.8
543.36584	9.8
557.34680	74.7
575.35657	43.5
576.35510	3.5
585.29852	2.7
599.35199	2.9
639.33936	4.9
683.37994	3.3
701.38434	7.9
719.39508	31.2
737.40723	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	735.4666
Annotation	Giganteoside D
Peak:m/z	Relative Intensity
52.67106	0.2
53.03925	1.1
55.01855	2.0
55.05501	3.9
57.03145	0.6
57.03426	10.8
57.07055	0.7
58.03774	0.4
59.04977	0.9
61.02907	1.2
65.03925	2.4
65.16296	0.2
67.05486	5.3
69.03415	15.2
69.06715	0.4
69.07057	3.8
70.03809	0.2
70.06580	0.8
71.01347	2.3
71.04977	59.4
71.08642	0.3
71.79436	0.3
72.05309	0.7
73.02507	0.5
73.02903	8.9
74.09751	0.3
75.04462	6.3
79.05479	9.0
81.03397	3.3
81.07039	15.1
82.07365	0.3
83.04964	10.3
83.08601	2.0
84.05299	0.4
84.08113	0.4
85.02888	100.0
85.06507	0.7
86.03223	1.0
86.06084	0.7
87.04453	2.9
89.06018	0.3
91.05457	15.2
93.07026	9.2
93.07625	0.3
95.01314	0.3
95.04945	4.1
95.08590	12.1
96.08905	0.3
97.02869	14.8
97.06499	2.1
97.10155	1.5
99.03776	0.5
99.04432	10.2
99.08073	1.1
101.05978	0.8
103.03919	0.8
103.05470	0.8
105.07012	11.5
107.04958	1.7
107.08570	78.5
108.08892	1.8
109.02871	1.8
109.06495	8.7
109.10136	11.7
110.10472	0.7
111.04420	6.9
111.08083	1.1
111.11697	0.4
113.02332	0.4
113.05978	0.9
114.09167	0.4
115.03909	11.3
115.05351	0.5
116.04216	0.3
117.05480	5.0
117.07010	1.2
119.04927	0.6
119.06037	0.6
119.08555	8.0
121.06483	5.8
121.09235	0.6
121.10122	12.4
122.10472	0.4
123.04401	0.9
123.08066	1.6
123.11678	4.0
125.05987	1.1
125.09607	32.0
125.19514	0.3
126.09948	1.0
127.03894	2.7
127.07554	0.5
127.11161	0.5
129.05452	29.4
129.07028	1.0
130.05783	0.6
130.08624	0.6
131.08559	3.5
133.04971	1.3
133.06505	0.8
133.10098	6.7
135.04372	0.4
135.08035	3.0
135.11668	7.6
137.05937	1.9
137.09593	0.9
137.13188	1.6
139.03876	2.6
139.07523	0.5
139.11081	0.3
141.05473	0.4
142.07716	0.3
143.08510	1.6
143.10638	0.3
144.09315	0.4
145.02847	0.5
145.04906	3.6
145.10088	5.2
147.04416	1.2
147.06487	11.4
147.07843	0.4
147.11662	4.8
149.09590	21.4
149.13222	4.2
151.03889	0.7
151.07542	0.6
151.11185	0.8
151.14767	0.3
153.05463	0.7
155.08513	0.3
156.09334	0.4
157.04942	1.6
157.10078	2.9
159.08038	0.5
159.11678	5.6
161.05984	0.5
161.09608	1.2
161.13211	3.4
163.03868	0.7
163.05992	2.3
163.07216	0.4
163.11159	1.5
163.14806	2.1
165.05470	0.6
165.07581	0.5
165.12669	0.3
167.06917	0.3
167.10638	0.6
167.14265	0.3
169.04977	0.5
169.10136	1.1
170.10858	0.5
171.06485	1.8
171.11650	2.4
173.09505	0.5
173.13191	3.4
175.11124	0.8
175.14775	2.6
177.05460	1.0
177.12729	0.5
177.16368	1.3
179.07021	0.5
179.14229	0.5
181.04916	0.4
183.06500	0.5
183.11687	0.8
185.13226	1.6
187.11133	0.9
187.14816	4.0
189.12726	0.6
189.16362	5.1
191.07179	0.3
191.10797	0.3
191.14316	0.9
191.17914	20.0
192.18324	0.7
195.06471	0.7
197.08046	0.4
197.13220	0.8
199.06082	0.6
199.14740	2.2
201.07442	0.4
201.12743	0.5
201.16333	3.7
203.10699	0.4
203.14334	0.4
203.17923	2.8
204.18323	0.3
205.15854	0.8
205.19580	0.4
207.06491	0.8
207.17349	2.2
209.13359	0.4
211.14792	0.9
213.11131	0.3
213.16348	3.7
215.14484	0.5
215.17871	2.2
217.15874	2.8
217.19424	1.5
219.10081	0.4
219.17503	0.4
219.21017	0.3
225.07538	4.8
225.16281	0.4
227.17976	0.6
229.15862	1.1
229.19539	0.7
231.08667	0.4
231.17393	4.9
231.20996	0.4
233.15352	1.1
235.16945	0.9
239.17841	0.3
241.19531	0.7
243.08655	4.8
243.17490	0.7
243.21068	0.7
249.18484	0.7
253.19617	0.5
255.21101	0.9
257.13873	0.6
257.22623	2.2
259.20514	0.3
261.09628	3.2
273.22067	0.4
277.16470	0.4
279.10699	2.2
279.21085	0.3
281.22708	0.5
295.24338	0.5
297.25867	0.9
299.23721	0.6
311.23877	0.4
313.25311	0.6
315.26749	4.2
316.27124	0.3
323.27344	0.5
341.28470	0.9
351.30484	0.8
359.29190	0.4
365.28659	0.3
369.31534	1.0
377.32089	0.5
384.87634	0.3
403.33588	2.8
421.34592	16.0
422.34985	1.6
437.34363	0.4
439.35641	14.5
440.35959	1.0
457.36694	2.6
517.36768	0.5
535.37561	0.9
549.39459	0.4
553.38672	2.0
571.39893	4.2
572.40601	0.4
589.40320	1.3
661.39453	0.4
663.41730	0.4
699.44293	0.7
717.45599	17.7
718.46021	2.3
735.46631	12.8
736.47125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4664
Annotation	Giganteoside D
Peak:m/z	Relative Intensity
53.03941	1.1
55.01853	2.0
55.05501	6.7
57.03146	0.7
57.03428	13.5
57.07065	2.0
59.04990	1.1
61.02920	1.5
67.05494	7.6
69.03417	15.7
69.07053	9.8
71.01331	2.5
71.04979	61.0
71.08627	0.7
71.79255	0.6
72.05313	1.1
73.02904	12.4
73.06524	0.4
75.04466	16.4
79.05476	4.5
81.03413	3.6
81.07043	13.4
81.07529	0.6
82.07371	0.6
83.04967	16.3
83.08614	2.8
84.05318	0.6
85.02890	100.0
85.06528	0.8
86.03216	2.0
86.06062	0.4
87.04465	2.8
91.05464	4.4
91.88380	0.4
93.07029	9.7
95.04948	3.7
95.08590	15.7
95.14464	0.4
97.02871	17.8
97.06518	1.5
97.10165	1.3
99.04438	9.3
99.05041	0.7
99.08074	1.3
101.06000	2.4
103.03933	0.9
103.05426	0.5
105.07011	8.1
107.04945	1.0
107.08571	16.6
108.08952	0.7
109.02869	1.4
109.06498	1.8
109.10135	16.7
110.10474	0.9
111.04424	13.3
111.08067	1.4
111.11710	2.0
113.02328	0.6
113.05991	0.8
115.03916	14.9
115.05336	0.5
117.05482	4.5
117.06995	0.8
118.09476	0.3
119.08558	10.6
121.06500	1.0
121.10123	13.9
122.10411	0.4
123.04408	1.1
123.08035	1.3
123.11691	12.0
124.11977	0.5
125.05969	1.4
125.09586	2.0
125.13251	0.7
127.03892	2.4
127.07497	0.5
127.11176	0.8
128.04190	0.4
129.05457	36.2
129.06992	0.9
130.05821	0.6
131.08557	3.3
133.04958	2.9
133.06473	0.7
133.10109	9.6
135.04428	0.6
135.08046	2.0
135.11658	11.7
135.12619	0.8
137.05952	0.9
137.09601	1.3
137.13226	3.8
139.03886	3.2
139.07538	0.9
139.11194	1.0
141.05504	0.5
143.03374	0.4
143.08516	1.4
144.67117	0.4
145.04933	3.8
145.10097	7.1
147.04630	0.5
147.06499	14.7
147.11667	7.9
148.06808	0.5
149.05959	0.7
149.09583	2.5
149.13216	6.3
151.07570	0.7
151.11147	0.9
151.14769	0.8
153.05423	0.4
153.09050	0.7
155.08513	0.5
157.04945	1.3
157.10123	3.0
159.07968	0.5
159.11670	7.2
161.05919	0.4
161.09554	1.4
161.13237	5.3
163.03853	0.8
163.05975	2.3
163.07370	0.7
163.11160	0.9
163.14793	4.4
165.05418	0.8
165.07587	0.5
165.09053	0.5
167.07132	0.7
167.10649	1.0
169.04947	0.8
169.10100	0.7
171.06487	2.9
171.11647	2.0
172.12367	0.4
173.09583	0.6
173.13243	3.5
175.06041	0.5
175.11163	0.5
175.14804	3.7
177.05469	1.0
177.09082	1.1
177.16353	2.7
179.06958	0.5
179.10693	1.3
179.14203	0.5
183.06456	0.4
183.11642	0.9
185.13271	1.8
187.14771	4.9
189.07532	0.5
189.12715	0.7
189.16368	5.5
190.16643	0.4
191.10587	0.9
191.14233	0.5
191.17909	11.4
192.18251	0.9
193.12244	1.5
193.15778	0.5
195.06454	0.8
197.13232	1.1
199.05986	1.2
199.14784	1.5
201.16364	4.1
203.10556	0.5
203.17889	4.0
205.15840	1.0
207.06580	0.8
207.13808	0.5
207.17273	0.8
209.13307	0.5
209.15250	0.5
211.14807	0.7
213.16356	1.6
215.14256	0.6
215.17908	1.7
217.15843	1.2
217.19516	2.3
219.13719	0.4
219.17476	0.7
219.21072	0.6
221.15344	0.4
225.07545	7.3
225.16197	0.5
227.17920	1.1
229.19411	1.1
231.08606	0.5
231.17451	1.8
231.21100	0.6
233.15343	1.3
233.18927	0.5
235.14742	0.4
235.16878	1.2
241.19528	1.0
243.08591	6.8
243.20964	1.2
247.16949	2.6
249.18539	1.8
253.19595	0.7
255.21019	1.5
257.22632	0.7
259.20630	0.4
261.09656	3.0
267.15848	0.9
267.21072	0.5
269.22650	0.6
273.18329	0.4
279.10669	4.7
285.21814	0.5
287.19955	1.0
295.20782	0.4
295.23846	0.5
299.19711	0.4
301.21542	0.9
311.27121	0.5
313.21396	1.5
315.23129	2.3
317.24881	0.4
327.23099	0.7
329.24561	1.0
341.28445	0.6
343.26105	1.1
369.27710	1.4
371.29355	7.0
372.29550	0.5
379.33475	1.6
383.29367	2.5
389.30475	2.1
393.35065	0.6
401.30667	0.4
403.33167	0.9
411.35999	0.8
421.34570	7.3
439.35660	34.1
440.35938	3.0
457.36664	8.3
475.26474	1.0
498.18835	0.4
499.34268	0.5
517.35706	0.5
531.37915	0.6
549.39136	1.3
567.39764	1.1
571.39966	0.8
574.36823	1.3
589.40662	1.1
681.42993	1.1
699.43903	0.9
707.46411	0.8
717.44958	1.0
735.46741	11.9
736.46600	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	14.8
55.01860	13.5
55.05501	33.3
57.03441	15.4
57.07062	4.9
61.02919	5.9
61.94296	2.6
65.03925	6.1
66.92188	2.8
67.05495	91.3
68.05804	2.9
69.03425	22.1
69.07056	30.6
70.30367	13.0
71.04987	16.4
73.02905	5.4
76.12090	2.4
77.01910	2.8
79.05479	100.0
81.03410	56.2
81.07046	99.3
81.27579	2.2
83.04967	22.4
83.08615	15.4
85.02888	17.3
85.06533	7.5
87.04474	2.5
91.05467	88.5
93.07031	97.4
93.27538	2.3
95.01273	2.8
95.04955	33.3
95.08593	49.2
97.02877	18.5
97.06526	20.0
97.10175	11.9
99.04440	7.0
99.08109	2.7
103.05452	2.9
105.07018	72.5
107.04946	14.1
107.08580	42.6
109.02860	9.2
109.06503	12.5
109.10154	24.8
111.04426	6.7
111.08073	4.2
113.05922	3.0
115.05386	2.8
117.06999	23.7
119.08565	45.1
119.69034	2.2
121.06504	8.2
121.10123	19.5
123.08053	9.8
123.11718	7.4
125.09616	6.3
125.34866	2.7
127.03904	9.7
127.07539	3.0
127.65240	2.2
129.05463	4.9
129.06990	24.1
131.08536	27.1
133.06479	5.3
133.10120	35.4
135.08060	7.4
135.11682	15.0
137.05974	3.4
141.06953	2.4
142.07831	3.2
143.08585	21.0
145.06487	4.2
145.10095	26.3
147.04379	3.0
147.07968	4.7
147.11665	38.1
149.09621	11.9
149.13232	13.1
151.11174	6.0
155.08577	4.2
157.10117	8.9
159.08002	5.3
159.11682	14.8
161.09586	7.5
161.13249	15.1
163.07687	2.6
163.11194	5.3
163.14844	2.4
165.09068	2.6
165.12779	5.0
169.10159	8.7
171.11641	20.8
173.04459	19.6
173.09625	3.0
173.13210	4.2
175.11221	3.3
177.12767	9.5
183.11589	3.6
189.11214	4.8
189.12622	12.4
195.13805	4.1
201.12732	2.6
207.13750	25.2
213.16393	3.8
227.12721	7.9
239.17813	4.3
257.19061	6.5
263.16815	2.9
267.15781	5.0
269.17392	5.9
273.18546	6.0
275.20023	41.5
281.17429	62.3
291.19379	13.5
293.21127	4.2
303.15829	2.8
335.25568	3.3
339.18103	3.4
349.23804	14.7
413.21594	8.3
435.27881	2.7
475.30524	91.9
476.31018	4.1
515.33563	4.7
537.35443	5.4
541.34802	3.7
555.36877	40.0
573.37878	12.3
597.38013	3.0
619.34528	18.9
649.09454	3.4
735.42084	16.1
754.48730	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	735.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.5
53.03929	7.4
55.01862	20.3
55.05500	36.1
57.03426	14.0
57.07069	1.9
59.04998	1.4
61.02918	6.6
65.03922	4.2
65.43530	1.1
66.89488	1.2
67.05490	87.8
68.05822	1.2
69.03418	17.3
69.07050	24.9
70.06583	1.0
71.04977	7.5
71.79179	2.0
73.02905	2.8
73.06516	2.5
77.03910	1.6
78.00333	1.0
79.05476	100.0
80.05817	1.8
81.03403	34.0
81.07038	92.9
82.07335	1.2
82.39139	1.1
83.04964	20.8
83.05457	1.0
83.08608	16.1
85.02885	12.6
85.06512	5.0
87.04408	1.4
91.03939	2.8
91.04633	1.4
91.05464	93.6
93.07025	98.8
95.04951	31.0
95.05556	1.3
95.08586	50.5
97.02879	12.5
97.06512	26.2
97.10146	13.2
99.04451	4.1
99.08067	2.5
103.05478	2.1
105.04512	2.0
105.07011	79.1
107.04935	21.6
107.08573	49.0
109.02859	4.5
109.06497	14.9
109.10129	19.7
111.04421	2.6
111.08064	4.8
113.02267	1.3
113.09518	1.3
115.05458	2.2
117.06998	23.0
119.04936	2.2
119.08554	49.3
121.06480	10.0
121.10122	19.2
123.08040	9.5
123.11713	5.3
125.06007	1.2
125.09615	11.9
127.03890	6.1
127.07567	1.7
128.06198	5.3
129.05489	2.6
129.06978	23.9
130.07753	1.9
131.04892	1.8
131.08534	27.0
133.06509	5.2
133.10104	32.2
135.08020	9.2
135.11659	9.9
137.06004	1.6
137.09608	5.0
138.61087	1.1
139.11163	1.3
141.06976	4.4
141.09099	1.5
142.07686	1.5
143.08556	18.5
145.06419	5.4
145.10098	31.3
147.08041	7.1
147.11655	46.2
149.09581	16.6
149.13229	7.3
151.11166	2.4
153.09085	1.6
155.08545	6.0
157.10086	8.3
159.08038	4.3
159.11653	16.0
161.09604	7.0
161.13210	15.8
163.11166	9.3
165.06937	1.6
165.09090	2.2
165.12747	2.0
166.07677	1.3
167.08575	2.1
169.10091	6.3
171.08029	3.1
171.10191	2.1
171.11652	25.7
173.04428	9.5
173.09583	3.3
173.13203	6.7
175.11177	3.3
175.14780	2.0
177.12752	3.1
179.08542	1.3
179.14285	2.8
181.10126	2.2
183.11678	3.5
185.09708	1.4
185.13188	3.9
187.11168	3.1
189.11166	4.8
189.12756	10.2
195.11681	2.5
195.13663	1.4
197.13261	2.9
199.11197	1.2
201.12689	1.8
205.12282	1.4
207.11816	2.2
207.13776	28.6
211.14853	1.3
217.15964	1.5
219.13609	1.1
225.14778	2.9
227.12723	23.8
229.14276	1.6
229.19502	2.6
233.15295	2.0
239.17949	4.6
247.20450	2.5
255.70467	1.3
257.18921	12.5
259.17090	1.5
259.20587	1.1
267.15781	1.8
273.18527	2.0
275.20026	55.6
279.15875	2.4
281.17413	66.4
282.17706	2.0
287.16388	3.0
291.19620	1.9
293.21097	3.9
299.20044	1.9
331.22662	3.5
349.23691	36.8
367.24762	3.1
373.23346	1.2
377.23193	5.7
378.12628	1.1
383.22305	2.0
383.30368	1.2
413.21521	2.5
419.24149	2.4
425.21576	3.0
435.27304	5.7
445.30539	1.3
451.27020	6.7
459.31241	7.2
463.31360	1.7
475.30573	37.2
493.27829	2.2
497.32306	1.3
511.28711	1.4
515.33392	1.7
527.37238	3.6
537.35492	6.1
555.36755	62.7
556.37354	2.5
573.37909	14.2
597.38098	1.5
619.34503	10.4
653.40167	1.4
663.38666	1.5
681.39569	1.9
699.40222	2.8
717.41559	5.3
735.42542	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	734.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01856	1.9
55.05505	9.6
57.03429	11.7
57.07069	26.6
57.22252	0.6
61.08916	0.6
66.59583	0.6
67.05499	21.6
69.03413	2.7
69.07057	10.1
71.01337	1.1
71.04977	2.9
71.08237	1.2
71.08620	21.4
73.02903	0.8
79.05481	14.6
81.03408	39.8
81.07041	26.9
82.03730	0.8
83.04967	11.1
83.08608	20.5
85.02898	17.3
85.06548	1.5
85.10177	11.3
86.09694	2.8
89.06027	1.5
91.05472	18.7
93.07033	10.8
95.01325	2.8
95.04954	17.0
95.08595	18.6
97.02892	2.4
97.06522	2.8
97.10162	6.1
103.07543	0.9
105.07019	15.3
107.04951	4.5
107.08582	4.9
109.06505	3.6
109.10152	8.3
111.04456	1.7
111.08060	7.3
111.11689	1.0
113.02361	1.2
113.06004	1.7
114.09132	0.6
115.05470	1.0
117.06994	1.4
117.09129	0.7
119.08569	13.2
121.06504	1.3
121.10132	6.2
123.08038	2.0
123.11700	3.0
124.99990	2.3
125.09620	1.7
127.07567	0.7
129.07001	8.2
131.03357	0.7
131.08565	6.7
133.06467	2.0
133.10098	7.8
135.07997	0.9
135.11691	0.9
137.05989	0.7
137.09618	1.1
140.10364	0.7
141.01857	2.0
142.07759	2.3
145.10141	1.8
147.08067	2.1
147.11659	11.3
149.09610	5.0
157.10112	11.9
160.09717	1.5
165.12711	2.0
175.11174	10.4
184.07312	8.5
193.12221	30.0
194.12558	1.1
211.13269	52.3
212.13560	1.4
224.34177	0.8
229.48170	0.8
239.23766	2.5
239.80226	0.7
257.24750	1.5
267.15884	24.8
268.16165	1.0
285.16928	59.5
286.17297	2.4
313.27325	73.2
314.27530	3.8
335.25809	0.7
349.87518	0.7
425.78726	0.8
443.18958	1.0
461.20248	1.1
505.38855	18.9
506.39301	1.5
523.39899	100.0
524.40222	8.4
541.38702	1.1
734.44354	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	733.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.2
53.03923	0.5
53.55196	0.1
55.01864	1.2
55.05497	3.0
57.03424	9.8
57.07055	0.9
58.29313	0.1
59.04987	0.7
60.49235	0.1
61.02910	0.8
61.20441	0.1
65.03922	0.5
67.05129	0.2
67.05491	5.3
69.03414	12.5
69.07053	5.7
69.89297	0.9
71.01343	1.9
71.04977	59.5
72.05305	0.2
73.02901	7.1
75.04462	3.1
79.05464	2.9
81.03394	1.3
81.07040	9.6
83.04964	9.3
83.08603	1.8
85.02886	100.0
85.06516	0.3
86.03213	0.4
86.06050	0.4
87.04445	2.8
91.05457	3.0
93.07027	5.2
95.04951	2.0
95.08585	9.9
97.02870	12.4
97.06493	0.8
97.10150	0.9
98.03226	0.2
98.06070	0.2
98.20679	0.2
99.04434	8.8
101.02310	0.2
101.06001	0.4
103.03918	0.9
103.05469	0.2
105.07008	5.0
107.04939	0.6
107.08572	8.0
109.02810	0.7
109.06514	0.6
109.10133	14.5
111.04420	7.1
111.08057	0.4
111.11696	0.6
113.02360	0.6
113.05999	0.6
115.03905	9.8
117.05472	4.6
117.06903	0.8
119.07707	0.3
119.08553	5.5
121.06496	0.4
121.10118	7.8
122.22433	0.1
123.04406	0.6
123.08055	0.4
123.11681	14.5
124.11994	0.2
125.05948	0.8
125.09608	0.3
127.03876	2.0
129.05449	28.6
130.05711	0.2
131.08539	2.1
133.04950	1.0
133.06462	0.2
133.10100	4.5
135.04419	0.5
135.08017	0.8
135.11659	6.4
136.06206	0.1
137.05952	0.4
137.09532	0.2
137.13223	3.6
139.03862	2.5
139.07524	0.6
139.11143	0.2
141.05428	0.3
142.07811	0.3
143.03369	0.3
143.08539	1.4
144.09329	0.2
145.04932	4.4
145.10097	3.6
147.06491	10.1
147.11646	3.1
149.05948	0.2
149.09596	0.3
149.13228	2.9
151.03893	0.3
151.07521	0.6
151.11186	0.3
151.14799	0.6
153.05455	0.5
153.09106	0.4
153.12720	0.2
155.08496	0.5
156.09248	0.2
157.04935	1.2
157.10109	1.8
158.10811	0.2
159.06528	0.3
159.08060	0.3
159.11658	3.6
161.09596	0.6
161.13225	2.5
163.03931	0.3
163.06009	2.5
163.07520	1.7
163.11218	0.4
163.14780	2.2
165.05453	0.4
165.07565	0.2
165.09109	0.4
165.16397	0.2
167.08568	0.2
167.10722	0.2
169.04970	0.6
169.10081	0.8
171.06461	2.0
171.11633	1.6
173.04413	0.2
173.09624	0.3
173.13210	3.1
175.06009	0.4
175.11145	0.4
175.14795	2.1
177.09056	1.2
177.16341	1.4
179.07014	0.4
179.10687	0.6
179.14290	0.4
181.04926	0.2
182.10718	0.2
183.06508	0.4
183.11696	0.7
185.13231	1.8
187.06065	0.2
187.11150	0.4
187.14771	3.8
189.07552	0.3
189.09142	0.5
189.16344	2.6
191.10603	1.1
191.17912	4.4
191.19681	0.2
193.12273	0.4
193.19463	0.8
195.06532	0.3
197.13269	0.6
199.05940	0.5
199.14757	1.1
201.12808	0.3
201.16362	2.8
203.10640	0.5
203.14240	0.3
203.17915	2.8
204.75124	0.2
205.12209	0.5
205.19450	0.5
207.06494	0.3
207.13840	0.5
209.13295	0.3
211.14793	0.6
213.07533	0.2
213.16331	1.1
215.10658	0.3
215.17905	0.7
217.07123	0.2
217.12277	0.4
217.15869	0.3
217.19438	1.0
219.13770	0.7
219.21088	0.6
221.15408	0.4
221.18950	0.2
223.14839	0.2
225.07526	4.6
225.16370	0.4
227.14352	0.4
227.18044	0.7
229.15868	0.6
229.19533	0.5
231.08575	0.3
231.13664	0.9
233.15320	0.9
233.19130	0.2
235.16934	0.3
239.17889	0.4
241.15863	0.3
241.19507	0.7
243.08607	3.8
243.13933	0.2
243.17366	0.2
243.21008	0.9
245.15311	1.5
245.19116	0.2
247.16890	4.1
249.18492	0.2
251.17958	0.2
253.19487	0.5
255.17369	0.2
255.21063	0.7
257.15195	0.3
257.22534	0.2
259.16953	0.5
261.09656	3.0
261.18533	0.4
265.19473	0.2
267.20874	0.4
269.22629	0.3
271.16907	0.4
273.18594	0.4
275.20102	0.3
279.10721	1.5
279.21014	0.2
281.22556	0.3
283.20541	0.2
285.18463	0.4
287.20032	0.3
295.20670	0.2
295.24249	0.2
297.22156	0.4
299.20004	0.7
301.21689	0.5
307.24356	0.2
309.25842	0.5
313.21536	1.0
315.23120	2.3
321.25751	0.2
323.27310	0.4
327.23221	0.4
327.26852	0.2
333.25589	0.2
341.24710	0.4
349.02432	0.2
351.26880	0.7
353.24408	0.2
355.26169	0.1
367.26364	0.4
369.27808	6.3
370.27957	0.2
377.31918	1.1
381.27802	0.8
387.28967	0.6
391.33646	0.5
395.33148	0.7
399.29443	0.2
401.32135	0.4
409.34637	0.6
419.33008	1.7
435.32703	0.2
437.34070	10.7
438.34564	0.4
453.33496	0.2
455.35184	3.4
547.37866	0.5
565.38977	0.4
585.38184	0.3
587.39417	1.4
673.42816	0.3
695.53345	0.2
715.43774	0.4
733.45062	7.8
734.44983	0.3
757.99005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01861	1.1
55.05501	4.2
57.03424	10.5
57.07061	1.4
59.04990	1.1
61.02911	1.9
65.03927	0.5
67.05494	7.5
69.03037	0.6
69.03416	12.4
69.07058	7.0
69.47180	4.1
71.01348	2.2
71.04978	58.6
72.05303	0.3
73.02902	10.1
74.97829	0.3
75.04465	5.0
78.24966	0.3
78.49659	0.3
79.05480	3.7
79.92835	0.3
79.97850	0.3
81.03405	1.7
81.07043	13.7
83.04963	11.2
83.08604	2.6
85.02888	100.0
85.06544	0.6
86.03244	0.7
86.06041	0.4
87.04027	0.3
87.04471	2.7
91.05453	4.4
93.07024	8.9
95.04957	2.8
95.08585	14.8
97.02877	15.2
97.06509	1.4
97.10146	1.0
99.04439	7.9
99.08097	0.4
101.06024	1.3
103.03922	0.8
105.07003	7.3
107.04970	0.6
107.08576	12.2
109.02862	0.9
109.06480	1.4
109.10137	18.7
111.04420	8.7
111.08065	0.7
111.11723	0.6
111.17290	0.3
113.06000	0.6
114.33292	0.4
115.03903	10.4
117.05480	3.7
117.06973	1.2
119.08557	9.3
121.06489	0.7
121.10119	10.9
123.04377	0.8
123.08025	0.3
123.11684	22.7
125.05936	0.7
127.03918	2.6
128.06126	0.4
129.05458	30.9
131.08543	2.8
133.04900	1.8
133.10106	7.8
135.04384	0.5
135.08020	1.3
135.10611	0.5
135.11662	10.2
137.05907	0.8
137.09590	0.5
137.13226	4.5
139.03856	2.4
139.07501	0.7
141.78406	0.4
142.07777	0.5
143.08534	2.3
144.09270	0.6
145.04938	3.9
145.10094	5.3
147.06494	10.3
147.07828	0.8
147.11665	5.6
149.05898	0.4
149.09587	0.7
149.13219	4.6
151.07520	1.0
151.14795	0.6
153.05409	0.7
153.09077	0.7
155.08488	1.0
157.04921	1.5
157.10115	2.3
159.08014	0.5
159.11642	5.8
161.09593	0.6
161.13261	4.1
163.05963	2.5
163.07486	1.3
163.11101	0.5
163.14835	2.7
165.05386	0.4
165.07556	0.6
165.08939	0.9
165.12633	0.3
169.04898	0.7
169.10010	0.7
171.06451	2.9
171.11606	2.3
173.09544	0.5
173.13237	3.3
175.11159	0.7
175.14771	2.3
177.09068	1.5
177.16385	1.7
179.10550	0.9
179.14192	0.7
183.11617	1.0
185.13254	2.3
185.73734	0.4
187.14777	5.3
189.09113	0.7
189.12717	0.5
189.16348	3.6
191.10626	2.0
191.17915	5.2
193.12291	0.4
193.19533	0.6
195.06459	0.6
195.11620	0.7
197.13170	1.0
199.06000	0.7
199.14795	1.6
201.12837	0.7
201.16359	3.6
203.10596	0.7
203.14278	0.6
203.17899	3.6
205.12149	0.6
205.19470	0.9
207.06355	0.6
207.13614	0.5
207.17387	0.9
209.13229	0.8
211.14807	1.0
213.16338	1.9
215.17885	1.2
217.12126	0.7
217.19424	0.9
219.13696	1.2
221.15233	0.7
225.07513	5.5
225.16261	1.1
227.14343	0.6
227.17763	1.1
229.15813	0.4
229.19440	0.8
231.13670	1.1
233.15254	1.2
235.16870	0.6
239.17857	0.4
241.19464	0.6
243.08652	3.9
243.20915	0.9
245.15314	1.9
247.14648	0.5
247.16911	5.8
249.18527	0.4
253.19345	0.6
255.20952	1.0
257.15121	0.4
259.16959	0.9
261.09689	2.9
261.18585	0.7
267.20929	0.4
273.18283	0.9
275.19983	0.7
279.10562	2.6
297.22015	0.4
299.20206	0.6
301.21457	0.7
309.25494	0.6
313.21494	1.4
315.23093	3.4
323.27310	0.4
327.23065	0.6
351.26599	0.9
367.26321	0.6
369.23798	0.5
369.27850	5.7
377.31754	1.2
381.27487	0.8
387.28632	1.0
391.33209	1.0
395.32986	0.9
409.34427	1.2
419.33215	2.0
437.34076	14.1
439.03867	0.4
441.29343	0.5
455.35168	10.4
467.34906	0.4
497.35495	0.5
533.35681	1.0
547.37396	0.6
551.36798	0.5
565.38080	0.6
573.33319	0.6
587.39270	3.1
599.38916	0.7
673.42633	0.4
679.41962	0.5
697.42126	0.6
715.43207	0.7
733.45032	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	733.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.2
53.03931	0.5
55.01859	1.0
55.05499	3.4
57.03426	9.2
57.07059	0.7
59.05000	0.9
61.02906	0.9
65.00310	0.1
65.03925	0.3
66.14042	0.1
67.05123	0.2
67.05492	5.5
69.03417	13.2
69.06673	0.3
69.07054	5.4
71.01342	2.1
71.04979	59.5
72.05318	0.3
73.02903	7.4
74.09660	0.2
75.04469	2.9
77.03877	0.2
78.56630	0.1
79.05011	0.2
79.05470	2.9
79.84908	0.1
81.03407	1.4
81.07041	10.3
83.01331	0.2
83.04967	8.9
83.08608	1.1
85.02890	100.0
85.06539	0.3
86.03220	0.5
86.06055	0.4
87.04450	2.7
91.05456	2.7
93.07032	5.6
95.04952	1.8
95.08589	10.0
97.02876	13.1
97.06499	0.8
97.10151	0.7
98.06026	0.2
99.04439	9.0
101.02374	0.2
101.06010	0.6
102.35014	0.1
103.03931	0.8
105.07017	4.5
107.04961	0.5
107.08572	7.6
109.02847	0.7
109.06536	0.8
109.10139	14.7
110.10443	0.1
111.04425	6.6
111.08093	0.3
111.11700	0.5
113.02345	0.4
113.05997	0.7
115.03909	9.7
117.05470	4.5
117.06937	0.9
119.08564	5.8
121.06525	0.5
121.10122	7.9
123.04404	0.7
123.08064	0.5
123.11686	15.1
125.02375	0.2
125.05976	0.7
127.03903	2.0
129.05457	28.6
130.05798	0.2
131.08536	2.3
133.04959	1.5
133.06456	0.4
133.10110	4.9
135.04391	0.7
135.08070	0.8
135.11667	6.3
137.05965	0.5
137.09576	0.2
137.13226	3.8
139.03882	2.5
139.07527	0.5
139.11156	0.2
142.07713	0.2
143.03409	0.4
143.07050	0.1
143.07457	0.2
143.08557	1.6
145.04938	3.9
145.10097	3.5
147.06496	10.3
147.11668	3.1
149.05969	0.3
149.09598	0.5
149.13242	3.2
150.13593	0.2
151.07520	0.3
151.11197	0.2
151.14799	0.6
153.05446	0.4
153.09100	0.3
153.12772	0.3
155.08589	0.2
157.04965	1.1
157.10078	1.7
158.10904	0.2
159.06541	0.3
159.08046	0.4
159.11668	3.9
161.09579	0.4
161.13219	2.7
163.03911	0.3
163.06000	2.2
163.07532	1.4
163.11147	0.3
163.14784	2.2
165.05511	0.3
165.07576	0.5
165.09119	0.4
167.07002	0.2
167.10690	0.2
169.05000	0.6
169.10071	0.6
170.17844	0.2
171.06505	1.9
171.07906	0.2
171.11673	1.7
172.12338	0.2
173.04469	0.2
173.09624	0.3
173.13240	2.5
175.06075	0.1
175.11154	0.2
175.14793	1.9
177.09055	0.9
177.12723	0.2
177.16331	1.1
179.07037	0.5
179.10666	0.6
179.14272	0.4
179.17905	0.2
181.05025	0.2
181.10094	0.1
181.12196	0.2
183.06480	0.3
183.10274	0.2
183.11618	0.7
185.13225	1.8
187.06032	0.2
187.11163	0.3
187.14784	3.8
189.05515	0.1
189.07542	0.3
189.09148	0.7
189.12849	0.2
189.16325	2.2
191.10660	1.4
191.14299	0.2
191.17911	4.5
193.12173	0.2
193.19466	0.7
195.06522	0.5
195.11682	0.2
197.13248	0.6
199.06018	0.4
199.14767	1.5
201.07623	0.3
201.12769	0.2
201.16342	2.8
203.10623	0.8
203.14279	0.3
203.17934	2.2
205.12199	0.3
205.15891	0.2
205.19543	0.5
207.06500	0.4
207.13850	0.4
209.13275	0.3
211.14804	0.4
213.07578	0.3
213.12839	0.2
213.16296	0.9
215.14342	0.3
215.17931	0.7
217.07137	0.2
217.12250	0.4
217.15929	0.3
217.19481	0.9
219.13760	0.8
219.21074	0.5
221.13388	0.2
221.15369	0.6
223.14781	0.4
225.07538	5.1
225.16376	0.3
227.14363	0.3
227.17943	0.7
229.12100	0.2
229.15857	0.4
229.19472	0.3
229.48466	0.2
231.08641	0.2
231.13857	1.0
233.15288	0.9
235.16930	0.4
237.16357	0.2
239.18013	0.4
241.15881	0.2
241.19485	0.9
243.08598	3.5
243.13893	0.2
243.17404	0.3
243.21086	0.5
245.15297	1.6
247.16885	4.1
249.18646	0.2
251.17943	0.2
253.19473	0.6
255.17281	0.2
255.21080	0.8
257.19153	0.2
259.17029	0.6
261.09653	3.2
261.18463	0.3
265.19553	0.2
267.21027	0.4
269.22699	0.5
271.16879	0.2
273.18481	0.6
279.10690	1.6
279.20877	0.1
281.19046	0.2
281.22473	0.2
285.18506	0.6
285.21954	0.2
287.20166	0.4
289.21555	0.2
297.22073	0.3
299.19977	0.8
301.21515	0.5
309.25757	0.5
313.21634	0.9
315.23163	2.1
321.25977	0.3
323.27368	0.3
327.23132	0.2
333.25894	0.3
337.25238	0.2
341.28448	0.2
351.26761	0.8
367.26483	0.3
369.23111	0.3
369.27841	6.1
377.32007	1.2
381.27924	0.5
387.28973	0.6
391.33569	0.7
395.33109	0.5
401.31866	0.4
409.34695	0.7
419.33051	1.7
437.34079	10.0
438.34610	0.3
449.33694	0.2
453.33804	0.3
455.35159	3.8
509.35968	0.1
529.36469	0.4
533.36462	0.2
547.37744	0.4
551.37012	0.2
565.38708	0.3
569.38470	0.2
585.37396	0.2
587.39117	1.2
599.39636	0.2
673.42975	0.2
697.42926	0.2
715.44128	0.3
733.45032	8.2
734.44879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.2
53.03932	0.5
55.01854	1.1
55.05498	2.6
57.03424	9.1
57.07059	1.0
58.61773	0.1
59.04988	0.8
61.02912	0.9
62.37428	0.1
65.03922	0.3
67.05492	5.8
69.03415	12.9
69.07053	5.3
69.48982	1.0
71.01343	2.2
71.04977	58.0
71.08603	0.2
72.05303	0.2
73.02901	7.6
73.06538	0.2
75.04465	2.8
79.05475	2.9
81.03411	1.3
81.07039	9.6
83.01306	0.2
83.04963	9.3
83.08596	1.4
85.02885	100.0
86.03213	0.4
86.06060	0.3
87.04447	2.4
91.05457	2.5
93.07026	5.7
95.04951	2.0
95.08585	9.9
96.08902	0.1
97.02868	13.2
97.06496	1.1
97.10155	0.9
99.04433	8.7
101.02369	0.2
101.06009	0.5
103.03921	0.7
103.05433	0.1
105.07005	4.9
107.04967	0.5
107.07998	0.1
107.08569	7.4
109.02840	0.7
109.06492	0.8
109.10133	14.4
111.04417	6.7
111.05201	0.1
111.08064	0.4
111.11709	0.4
113.02356	0.4
113.05974	0.6
115.03906	10.3
117.05475	4.6
117.06924	0.9
119.08556	5.2
121.02905	0.1
121.06493	0.4
121.10117	8.0
123.04426	0.7
123.08111	0.5
123.11678	14.7
124.11996	0.1
125.05933	0.5
125.09550	0.2
125.13226	0.2
127.03884	2.1
128.06163	0.2
129.05447	29.0
130.05806	0.2
130.07759	0.1
131.08534	2.3
133.04947	1.4
133.06522	0.4
133.10098	4.7
135.04395	0.4
135.08054	0.8
135.11665	6.5
137.05908	0.5
137.09560	0.2
137.13222	3.8
137.14282	0.2
137.67947	0.1
139.03868	2.3
139.07521	0.4
139.11165	0.2
141.05420	0.3
142.07724	0.2
143.03383	0.3
143.07025	0.2
143.08554	1.3
144.09358	0.3
145.04930	4.0
145.08937	0.2
145.10092	3.5
147.06491	10.8
147.11653	2.9
149.05966	0.3
149.09602	0.4
149.13223	3.5
149.14417	0.2
151.03923	0.2
151.07515	0.7
151.11086	0.2
151.14807	0.6
153.05447	0.7
153.09081	0.4
153.12730	0.4
155.07236	0.1
155.08560	0.3
156.09279	0.3
157.04973	1.1
157.10085	1.6
158.10863	0.1
159.06537	0.2
159.08055	0.3
159.10327	0.2
159.11655	3.8
161.04597	0.1
161.05933	0.3
161.09633	0.5
161.13222	2.7
163.03883	0.3
163.06009	2.4
163.07526	1.5
163.11143	0.2
163.14790	2.3
163.16141	0.1
165.05426	0.3
165.07584	0.4
165.09109	0.6
165.12733	0.2
165.16304	0.1
167.03400	0.1
167.10617	0.2
169.04938	0.7
169.08795	0.1
169.10063	0.6
170.10883	0.2
171.06503	2.0
171.07909	0.1
171.11647	1.6
173.09618	0.2
173.13203	2.6
175.06046	0.2
175.07579	0.1
175.11186	0.2
175.14803	2.0
177.09084	1.1
177.12712	0.2
177.16348	1.4
179.07043	0.4
179.10722	0.4
179.14334	0.5
179.17947	0.2
181.04918	0.2
181.10075	0.2
183.06544	0.4
183.11678	0.6
183.88818	0.1
185.13219	2.0
187.05988	0.3
187.11243	0.3
187.14786	4.2
189.07602	0.2
189.09116	0.8
189.12708	0.3
189.16328	2.4
189.17944	0.1
191.10611	1.4
191.12163	0.1
191.14247	0.2
191.17903	4.7
193.10474	0.1
193.12262	0.4
193.15829	0.1
193.19469	0.8
195.06549	0.4
195.11716	0.3
197.08125	0.2
197.13278	0.5
199.05930	0.5
199.11237	0.1
199.14795	1.4
201.07500	0.3
201.12709	0.3
201.14433	0.2
201.16336	2.9
201.18082	0.2
203.10625	0.6
203.14304	0.4
203.17900	2.6
205.12164	0.5
205.15778	0.1
205.19504	0.5
207.06496	0.5
207.13841	0.4
207.17419	0.3
209.13177	0.2
211.14775	0.7
213.07654	0.3
213.12761	0.2
213.16289	1.1
215.14331	0.3
215.17934	0.8
217.07224	0.3
217.12289	0.5
217.15930	0.3
217.19470	0.9
219.13780	0.6
219.21075	0.5
221.15361	0.7
221.19046	0.2
223.14793	0.2
225.07530	4.7
225.16389	0.4
227.14417	0.2
227.17912	0.7
229.12373	0.2
229.15891	0.4
229.19478	0.6
231.08624	0.1
231.13806	1.2
233.15327	1.1
235.16910	0.5
237.16402	0.3
239.17953	0.3
241.15849	0.2
241.19493	0.8
243.08578	3.6
243.17447	0.1
243.20947	0.7
245.15349	1.9
247.16890	4.1
249.16289	0.1
249.18646	0.2
251.18188	0.2
253.19460	0.7
255.17516	0.2
255.21088	0.9
257.15332	0.2
257.19098	0.2
257.22601	0.1
259.16879	0.7
261.09656	2.9
261.18546	0.3
265.19583	0.2
267.21085	0.4
269.22635	0.3
271.16772	0.2
273.18518	0.4
275.20081	0.4
277.19254	0.1
279.10666	1.7
281.19067	0.2
281.22452	0.2
285.18539	0.5
285.22009	0.2
287.20062	0.3
295.20615	0.2
297.18753	0.2
297.22153	0.2
299.19949	0.8
301.21548	0.5
303.23303	0.2
307.24133	0.2
309.22543	0.2
309.25598	0.5
311.20062	0.2
311.23981	0.1
313.21545	0.9
315.23105	2.2
321.25522	0.2
323.23825	0.1
323.27463	0.3
327.23355	0.2
327.26892	0.2
329.24905	0.1
331.22437	0.1
333.25842	0.2
341.24695	0.3
343.26453	0.1
351.26862	0.5
353.24649	0.2
355.26196	0.2
367.26202	0.3
369.27802	5.8
377.31958	1.2
381.27719	0.9
387.28723	0.6
391.33524	0.7
395.33325	0.6
401.31998	0.3
409.34509	0.6
419.33081	1.3
435.32608	0.2
437.34070	10.4
438.34570	0.4
453.33908	0.2
455.35144	4.1
487.35770	0.1
509.36362	0.2
529.36877	0.3
547.37689	0.4
565.39081	0.2
587.38971	1.1
673.42792	0.3
697.43280	0.2
715.43896	0.5
733.45068	6.5
734.45337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
53.03920	0.7
55.01856	1.1
55.05499	3.1
57.03425	10.0
57.07064	0.8
57.71833	0.1
59.04984	0.9
61.02908	1.2
65.03922	0.5
66.74795	0.1
67.01838	0.1
67.05492	5.7
69.03415	12.7
69.07053	5.8
69.07340	0.1
71.01343	2.1
71.04977	61.2
71.08603	0.2
72.05303	0.2
73.02900	7.7
74.09720	0.1
75.04465	3.2
76.89175	0.1
77.03889	0.2
79.05473	2.9
81.03410	1.2
81.07039	10.3
83.01329	0.2
83.04963	9.9
83.08601	1.6
85.02886	100.0
85.06449	0.2
86.03233	0.5
86.06054	0.4
87.04448	2.7
91.05458	2.6
93.07029	5.5
95.04959	1.8
95.08586	10.0
97.02870	13.2
97.06496	0.9
97.10158	0.8
99.04431	9.0
101.05987	0.6
103.03925	0.7
103.05411	0.2
105.07003	4.8
107.04979	0.6
107.08572	7.5
109.02849	0.8
109.06489	0.9
109.10133	14.6
110.10480	0.1
111.04419	6.5
111.08069	0.4
111.11693	0.5
113.02335	0.4
113.05974	0.7
115.03905	9.7
117.05464	4.5
117.06918	0.8
119.04903	0.1
119.08555	5.8
121.06497	0.3
121.10119	7.5
123.04409	0.9
123.08075	0.5
123.11681	15.0
125.02303	0.1
125.05988	0.6
125.13229	0.2
125.30048	0.1
127.03886	2.2
128.06285	0.1
129.05449	30.1
130.05812	0.1
131.08545	2.3
133.04959	1.2
133.06456	0.3
133.10095	5.2
135.04396	0.4
135.08032	0.9
135.11661	7.0
137.05980	0.5
137.09631	0.1
137.13219	3.4
139.03871	2.4
139.07515	0.4
139.11111	0.2
141.05463	0.3
141.06987	0.1
142.07777	0.2
143.03366	0.3
143.07214	0.2
143.08537	1.3
144.09352	0.2
145.04941	4.0
145.10086	3.7
145.11183	0.2
147.06491	10.3
147.11649	2.9
149.05939	0.3
149.09607	0.3
149.13213	3.3
151.03889	0.4
151.07515	0.7
151.11151	0.3
151.14771	0.6
153.05463	0.5
153.09067	0.3
153.12712	0.4
155.08537	0.4
156.09320	0.2
157.04948	1.2
157.10109	2.0
158.10887	0.2
159.06532	0.3
159.08049	0.5
159.11655	3.6
159.12910	0.2
161.05980	0.2
161.09624	0.4
161.13226	2.7
163.03922	0.2
163.06003	2.4
163.07524	1.3
163.11200	0.3
163.14790	2.3
165.05475	0.4
165.07568	0.3
165.09103	0.5
165.12746	0.2
165.16389	0.2
167.07043	0.2
169.04953	0.4
169.10133	0.5
170.10960	0.2
171.06493	1.8
171.07918	0.2
171.11644	1.7
173.09666	0.3
173.13237	2.7
175.06001	0.2
175.11230	0.4
175.14789	2.1
177.05498	0.1
177.09094	1.2
177.16350	1.1
179.07050	0.4
179.10608	0.5
179.14304	0.4
179.17937	0.2
181.04826	0.3
181.10068	0.2
181.12210	0.1
183.06529	0.4
183.11662	0.8
185.09619	0.2
185.13223	1.7
186.13884	0.1
187.06042	0.3
187.11162	0.2
187.14792	3.8
189.05489	0.1
189.07585	0.2
189.09036	0.8
189.12766	0.2
189.16359	2.5
189.17979	0.2
191.10649	1.2
191.14267	0.3
191.17903	4.4
193.12201	0.3
193.15851	0.1
193.19464	0.8
195.06487	0.7
195.11661	0.3
197.08073	0.3
197.13190	0.6
199.06013	0.5
199.14760	1.3
201.07538	0.3
201.11108	0.1
201.12773	0.3
201.16330	2.5
203.10660	0.4
203.14291	0.3
203.17915	2.7
205.12233	0.4
205.15817	0.2
205.19496	0.5
207.06537	0.4
207.13829	0.3
207.17458	0.3
209.13280	0.4
211.14746	0.6
213.07593	0.3
213.12752	0.3
213.16312	0.8
215.14345	0.2
215.17886	1.1
217.07097	0.3
217.12245	0.4
217.19472	0.8
219.13799	0.7
219.17432	0.2
219.21057	0.6
221.13499	0.1
221.15286	0.5
223.14865	0.3
225.05338	0.3
225.07538	5.0
225.16408	0.4
227.14253	0.3
227.17906	0.9
229.15811	0.6
229.19458	0.5
229.43208	0.1
231.08585	0.2
231.13759	1.1
231.17418	0.2
231.21010	0.1
233.15312	1.0
235.16975	0.4
237.16231	0.3
239.17975	0.4
241.15886	0.3
241.19450	0.6
243.08603	3.8
243.13780	0.2
243.17323	0.2
243.21057	0.6
245.15350	1.6
245.18959	0.2
247.16899	3.9
249.18503	0.2
251.17972	0.1
253.19531	0.5
255.17441	0.2
255.21031	0.8
257.15314	0.1
257.19019	0.1
257.22662	0.2
259.16907	0.6
261.09659	3.1
261.18491	0.3
265.19498	0.2
267.21109	0.3
269.22629	0.4
271.17007	0.3
273.18475	0.4
273.22238	0.1
275.20157	0.2
279.10706	1.6
279.21088	0.2
281.22632	0.3
283.20584	0.1
283.24042	0.2
285.18451	0.4
287.20123	0.2
289.21735	0.2
293.22504	0.2
295.20496	0.2
295.24048	0.1
297.22198	0.2
299.19946	0.6
301.21555	0.6
307.24323	0.3
309.25790	0.5
313.21591	0.9
315.23087	2.3
321.25748	0.3
323.27441	0.2
327.23267	0.2
333.25549	0.2
335.27368	0.2
339.23093	0.2
341.24722	0.3
351.26801	0.8
353.24573	0.2
355.26443	0.2
367.26385	0.4
369.27805	5.5
377.32004	1.1
381.27774	0.7
387.28806	0.8
391.33603	0.8
395.33069	0.4
399.29047	0.2
401.31870	0.5
409.34558	0.6
419.32944	1.7
435.32693	0.2
437.34082	9.5
438.34549	0.3
453.33969	0.2
455.35135	3.6
456.35635	0.1
529.37054	0.2
547.37842	0.5
561.72632	0.1
565.38922	0.3
569.38593	0.2
585.37622	0.1
587.39203	1.1
597.69055	0.1
599.39111	0.2
673.42743	0.4
687.44055	0.1
688.71985	0.1
697.42773	0.2
715.44159	0.4
733.45026	9.0
734.45459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.2
53.03932	0.6
55.01851	1.0
55.05255	0.2
55.05499	2.8
57.03426	9.5
57.07062	1.0
59.04981	0.9
61.02911	1.2
65.03929	0.4
67.05492	5.9
69.03416	12.9
69.07054	6.1
71.01338	2.0
71.04977	59.2
72.05289	0.3
73.02901	7.1
73.06528	0.1
75.04468	2.6
75.28079	0.1
77.03872	0.1
79.05476	3.2
81.03413	1.5
81.07040	9.5
83.04964	9.1
83.08601	1.7
85.02887	100.0
86.03231	0.3
86.06058	0.4
87.04447	2.5
91.05455	2.7
93.07024	6.2
95.04951	1.9
95.07691	0.2
95.08588	10.1
97.02872	13.6
97.06510	0.9
97.10137	1.0
98.05952	0.1
99.04436	8.8
99.08135	0.1
101.06010	0.5
103.03951	0.7
103.05428	0.2
105.04523	0.2
105.07008	4.5
107.04950	0.5
107.08001	0.1
107.08572	7.6
109.02854	0.9
109.06500	0.9
109.10134	14.9
111.04423	6.8
111.08074	0.3
111.11723	0.6
113.02357	0.4
113.05984	0.5
115.03908	9.6
117.05472	5.0
117.06915	0.9
119.04964	0.2
119.08560	5.5
121.06508	0.6
121.09229	0.3
121.10123	7.6
123.04410	0.7
123.08072	0.6
123.11681	14.8
124.12003	0.2
125.05992	0.7
125.09620	0.4
125.16973	0.1
127.03896	2.1
128.06192	0.4
129.05452	29.8
130.05783	0.2
131.08554	2.7
131.09557	0.2
133.04924	1.5
133.06487	0.3
133.10097	5.0
134.24187	0.1
135.04388	0.3
135.08044	0.8
135.11664	6.4
137.05981	0.4
137.09579	0.2
137.13222	3.8
137.14259	0.3
139.03867	2.3
139.07483	0.7
141.05458	0.3
142.07764	0.2
143.03391	0.3
143.08546	1.6
144.09265	0.2
145.02904	0.2
145.04932	3.9
145.10092	4.0
145.11185	0.2
147.06493	10.4
147.11653	3.3
149.09625	0.4
149.13228	3.4
151.03883	0.2
151.07465	0.7
151.11137	0.2
151.14836	0.5
153.05460	0.5
153.09113	0.4
153.12721	0.2
155.08553	0.3
156.09294	0.2
157.04947	1.2
157.10118	1.7
158.10831	0.1
159.06599	0.3
159.08073	0.4
159.11667	4.1
159.12917	0.3
161.05968	0.2
161.09605	0.6
161.13220	2.7
163.03912	0.2
163.06013	2.4
163.07524	1.2
163.14787	2.0
165.05449	0.4
165.07698	0.3
165.09091	0.6
165.16310	0.3
167.10661	0.2
169.04945	0.6
169.10130	0.4
170.10887	0.3
171.06512	2.3
171.07930	0.2
171.11656	1.4
173.09586	0.3
173.13231	2.3
175.05965	0.3
175.11243	0.3
175.14777	1.9
177.05484	0.3
177.09088	1.3
177.12619	0.1
177.16339	1.3
179.07051	0.3
179.10651	0.6
179.14294	0.4
181.04955	0.2
181.10091	0.2
183.06461	0.4
183.08070	0.2
183.11662	0.6
185.13216	1.9
187.06039	0.3
187.11160	0.2
187.14784	3.9
188.90674	0.1
189.05479	0.2
189.07570	0.2
189.09065	0.7
189.12720	0.3
189.16342	2.5
191.10616	1.2
191.14323	0.3
191.17903	4.7
193.12177	0.4
193.19469	0.7
194.59785	0.2
195.06496	0.5
195.11620	0.2
197.08063	0.3
197.13220	0.7
199.06059	0.5
199.14786	1.4
201.07509	0.3
201.12805	0.4
201.16347	2.7
203.10718	0.5
203.14273	0.3
203.17915	2.5
205.12228	0.4
205.15767	0.2
205.19533	0.8
207.06537	0.4
207.13763	0.3
207.17366	0.3
209.13243	0.3
211.14847	0.6
213.07590	0.3
213.16350	1.2
215.14343	0.3
215.17862	0.9
217.07137	0.3
217.12282	0.4
217.15826	0.2
217.19455	1.2
219.13792	0.8
219.17419	0.2
219.21135	0.5
221.15300	0.7
223.14793	0.3
225.07532	4.9
225.09651	0.3
225.16385	0.3
227.14362	0.3
227.17928	0.9
229.12308	0.2
229.15933	0.5
229.19537	0.6
231.08661	0.3
231.13759	1.1
231.17374	0.2
233.15320	1.0
235.17015	0.4
237.16348	0.3
239.17889	0.7
241.19440	0.7
243.08591	3.3
243.10930	0.2
243.13788	0.2
243.21107	0.5
245.15323	1.8
247.16885	4.0
247.19269	0.2
253.19557	0.4
255.21045	1.0
257.22723	0.2
259.16977	0.4
261.09637	2.9
261.12216	0.2
261.18457	0.3
265.19513	0.2
267.21094	0.5
269.22702	0.4
271.16998	0.4
273.18460	0.5
275.20071	0.3
279.10751	1.5
279.21066	0.1
285.18497	0.5
285.22333	0.1
287.20270	0.2
289.21921	0.2
295.20587	0.3
297.18774	0.2
297.22183	0.2
299.20126	0.7
301.21613	0.7
309.25644	0.4
313.21460	0.9
315.23163	2.4
317.38947	0.1
321.25656	0.2
323.27216	0.3
325.21512	0.2
325.25320	0.2
327.23135	0.3
333.25745	0.3
341.24786	0.4
351.26532	0.7
353.24603	0.2
355.26492	0.2
363.26849	0.2
367.26239	0.4
369.27820	6.3
377.32007	1.2
381.27908	0.6
387.28961	0.6
391.33646	0.7
395.33228	0.5
401.32022	0.4
407.33112	0.2
409.34677	0.6
419.32990	1.5
437.34085	10.0
438.34305	0.3
449.34482	0.2
453.33511	0.2
455.35147	3.8
529.37250	0.4
533.36285	0.3
547.37665	0.4
565.38995	0.2
587.39215	1.3
673.43097	0.3
679.41095	0.2
697.43158	0.3
715.44415	0.3
733.45087	7.4
734.44940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.1
53.03920	0.5
55.01855	0.9
55.05497	2.9
57.03424	9.3
57.07062	0.7
59.04989	1.0
61.02912	0.9
65.03920	0.4
66.80166	0.1
67.01843	0.1
67.05490	5.6
69.03413	12.9
69.07053	5.8
71.01337	2.2
71.04976	59.8
71.08627	0.1
72.05308	0.2
73.02901	6.8
74.09718	0.1
75.04464	2.9
77.03922	0.1
79.05473	2.8
81.03402	1.2
81.07038	9.7
83.04964	9.2
83.08601	1.4
85.02885	100.0
85.06496	0.3
86.03212	0.4
86.06063	0.4
87.04449	2.6
91.05448	2.5
93.07022	5.9
95.04958	1.7
95.08585	9.8
97.02871	13.8
97.06494	1.0
97.10137	1.0
99.04432	8.7
100.24960	0.1
101.02345	0.2
101.05974	0.6
103.03910	0.7
103.05466	0.2
105.07007	4.9
107.04950	0.6
107.08566	7.4
109.02852	0.9
109.06523	0.8
109.10131	15.1
111.04420	6.3
111.08051	0.3
111.11697	0.6
113.02352	0.4
113.05975	0.6
115.03906	10.1
117.05472	4.7
117.06926	0.8
119.04930	0.2
119.08553	5.6
121.06525	0.5
121.10117	7.9
122.10435	0.1
123.04407	0.9
123.08068	0.5
123.11678	14.9
124.11935	0.1
125.02361	0.1
125.05949	0.5
125.09600	0.2
125.13235	0.2
127.03886	2.3
127.07647	0.1
128.06219	0.3
129.05449	29.7
130.05804	0.2
130.07771	0.1
131.08537	2.1
131.09412	0.2
133.04942	1.2
133.06465	0.3
133.10101	5.0
135.04369	0.5
135.08060	1.0
135.11661	7.0
137.05893	0.6
137.09619	0.2
137.13217	3.8
139.03867	2.4
139.07515	0.5
139.11179	0.2
141.05473	0.3
141.06947	0.2
142.07791	0.3
143.03391	0.2
143.06927	0.2
143.08531	1.4
144.09262	0.2
145.04929	4.6
145.10092	3.3
147.06491	10.8
147.11646	3.3
149.05939	0.2
149.09587	0.4
149.13228	3.2
151.03961	0.2
151.07500	0.7
151.14764	0.5
153.05432	0.6
153.09082	0.4
153.12685	0.2
155.07059	0.1
155.08501	0.3
156.09340	0.3
157.04932	1.3
157.10080	1.8
158.10829	0.1
159.06526	0.3
159.07991	0.2
159.10338	0.2
159.11664	3.7
161.05957	0.2
161.09663	0.5
161.13223	2.6
163.03963	0.2
163.06004	2.4
163.07524	1.7
163.11209	0.2
163.14786	2.1
165.05438	0.3
165.07629	0.2
165.09102	0.5
165.12758	0.2
165.16373	0.2
167.07085	0.2
167.10667	0.2
168.09315	0.1
169.04918	0.6
169.10121	0.5
170.10838	0.2
171.06503	2.2
171.07863	0.1
171.11647	1.6
172.12358	0.2
173.04483	0.2
173.09619	0.4
173.13217	2.8
175.06076	0.2
175.11191	0.2
175.14792	1.9
177.09077	1.4
177.12756	0.2
177.16330	1.3
179.06947	0.5
179.10663	0.6
179.14307	0.3
179.17915	0.3
181.04948	0.3
181.10127	0.2
181.12225	0.1
183.06581	0.5
183.11649	0.6
185.13231	1.8
187.05971	0.2
187.11145	0.2
187.14780	3.9
188.15331	0.1
189.07529	0.2
189.09103	0.7
189.12727	0.2
189.16335	2.2
191.10640	1.2
191.14412	0.2
191.17900	4.4
193.12265	0.3
193.15883	0.1
193.19524	1.0
195.06511	0.4
195.11783	0.2
195.13721	0.1
197.08067	0.2
197.13177	0.6
199.05997	0.5
199.11279	0.1
199.14767	1.4
201.07455	0.2
201.12761	0.4
201.16347	2.5
201.18117	0.2
203.10706	0.4
203.14339	0.3
203.17911	2.3
205.12280	0.5
205.15880	0.2
205.19540	0.7
207.06482	0.2
207.13776	0.4
207.17493	0.3
209.13261	0.2
211.11157	0.1
211.14755	0.6
213.07553	0.2
213.12788	0.2
213.16316	1.0
215.10733	0.2
215.14458	0.3
215.17903	0.9
217.07047	0.2
217.12241	0.4
217.15884	0.2
217.19492	0.9
219.13718	0.8
219.17438	0.1
219.20993	0.5
221.13518	0.1
221.15283	0.6
221.18987	0.1
223.14806	0.2
225.07530	4.9
225.12697	0.2
225.16341	0.4
226.16829	0.1
227.14330	0.3
227.17863	0.9
229.15834	0.4
229.19496	0.4
230.00163	0.1
231.08720	0.2
231.13744	1.0
231.17381	0.1
231.21182	0.3
233.15340	1.0
235.16933	0.4
237.16377	0.3
239.17969	0.5
241.15829	0.3
241.19441	0.6
243.08601	3.7
243.13788	0.2
243.17419	0.2
243.21040	0.6
245.15327	2.0
245.18063	0.1
245.19037	0.2
247.14328	0.2
247.16891	3.7
249.16260	0.1
249.18549	0.2
253.19460	0.5
255.17415	0.1
255.18623	0.1
255.21106	0.8
257.15417	0.2
257.22696	0.1
259.16925	0.7
261.09662	3.0
261.18509	0.4
267.21033	0.4
269.22672	0.3
271.16870	0.2
273.18585	0.6
273.21277	0.1
275.20056	0.3
279.10684	1.5
279.21048	0.2
281.19122	0.1
281.22522	0.3
283.20560	0.2
285.18463	0.5
285.21817	0.1
287.20044	0.2
293.22620	0.1
295.20517	0.2
295.24063	0.1
297.22168	0.2
299.20062	0.7
299.23318	0.2
301.21606	0.7
307.24115	0.1
309.25751	0.5
310.25629	0.1
311.20261	0.1
313.21634	0.9
315.23102	2.1
321.25757	0.2
323.23813	0.1
323.27377	0.3
327.23325	0.2
327.26733	0.1
333.25635	0.2
335.27316	0.2
337.28687	0.1
339.26889	0.1
341.24689	0.2
351.26788	0.8
353.24704	0.1
355.26312	0.2
367.26355	0.4
369.27820	5.8
370.27948	0.2
377.32053	1.1
381.27856	0.7
387.28729	0.6
391.29163	0.1
391.33469	0.6
395.33298	0.6
399.28955	0.2
401.32294	0.4
409.34448	0.7
419.32977	1.6
435.32739	0.1
437.34061	9.5
438.34467	0.4
453.33578	0.2
455.35114	3.9
456.35538	0.2
523.37408	0.1
529.36560	0.3
533.36395	0.2
547.37769	0.5
551.37500	0.2
565.39008	0.3
569.38000	0.1
583.39417	0.1
587.39307	0.9
667.79138	0.1
673.42670	0.3
679.42065	0.1
697.42389	0.2
715.43195	0.3
733.45020	6.3
734.45142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.61113	0.2
54.90989	0.2
55.01857	1.3
55.05229	0.2
55.05499	4.1
57.03426	10.3
57.07072	1.4
59.04981	1.2
60.33652	0.2
61.02908	1.5
65.03933	0.6
66.00973	0.2
67.01860	0.3
67.05491	7.1
69.03414	14.5
69.07054	6.0
71.01345	2.3
71.04977	60.3
71.08617	0.2
73.02902	9.6
74.09688	0.2
75.04463	5.4
77.03885	0.2
79.05473	4.3
81.03411	1.4
81.07041	13.9
83.04965	12.0
83.08598	2.2
83.61607	0.2
85.02888	100.0
85.06509	0.4
86.03220	0.5
86.06064	0.4
87.04451	2.8
91.05458	3.6
93.07025	7.7
95.04948	2.8
95.08588	12.6
97.02871	15.5
97.06490	1.4
97.10155	1.0
99.04437	8.6
99.06362	0.2
101.05994	0.8
103.03941	0.7
103.05504	0.2
105.07007	7.4
107.04945	0.9
107.08572	10.7
109.02831	0.9
109.06490	1.1
109.10136	15.5
110.04675	0.2
111.04420	8.3
111.08101	0.5
111.11692	0.4
113.02370	0.6
113.06002	0.9
115.03907	11.0
117.05466	3.9
117.06250	0.2
117.06934	1.3
118.44005	0.2
119.08556	8.2
121.06499	0.8
121.10121	11.0
123.04426	0.6
123.08064	0.8
123.11683	26.1
125.05997	1.1
125.06757	0.2
127.03883	2.2
128.06215	0.3
129.05452	29.8
131.08537	3.3
133.04950	1.6
133.06473	0.4
133.10100	7.2
135.04393	0.3
135.08052	0.8
135.11665	9.1
137.05954	0.5
137.09563	0.2
137.13234	3.4
139.03868	2.7
139.07547	0.8
139.11174	0.4
141.05443	0.3
141.07037	0.2
142.07721	0.4
143.03438	0.3
143.07039	0.2
143.07448	0.2
143.08568	1.8
144.09344	0.2
145.02966	0.2
145.04939	3.7
145.10083	5.0
147.06496	10.9
147.07790	0.4
147.11664	4.8
149.09608	0.7
149.13229	4.6
151.03889	0.5
151.07532	0.6
151.11122	0.5
151.14767	0.4
153.05449	0.7
153.06732	0.2
153.09064	0.4
153.12711	0.3
155.08513	0.5
156.09285	0.2
157.04938	1.3
157.10103	2.3
158.10834	0.2
158.33501	0.2
159.06535	0.3
159.08047	0.4
159.11661	5.0
161.09621	0.9
161.13226	4.1
163.03912	0.3
163.06023	2.6
163.07529	0.9
163.11151	0.6
163.14772	3.1
165.05499	0.4
165.07643	0.5
165.09146	0.7
167.10674	0.3
168.09286	0.2
169.04948	0.7
169.10155	0.9
170.10899	0.3
171.06511	2.4
171.07907	0.3
171.11642	2.0
172.12495	0.3
173.04439	0.3
173.09631	0.5
173.13237	3.3
175.06093	0.2
175.11237	0.5
175.14789	2.6
177.09061	1.2
177.12726	0.3
177.16367	2.0
179.07033	0.4
179.10709	0.7
179.14282	0.4
181.10075	0.2
181.12277	0.2
183.06578	0.5
183.11746	0.7
184.12251	0.2
185.09680	0.3
185.13223	2.6
187.11220	0.6
187.14793	5.2
189.05542	0.3
189.07448	0.2
189.09076	0.5
189.12764	0.5
189.16339	3.3
191.10663	2.2
191.14311	0.4
191.17897	5.8
193.12230	0.4
193.19554	0.3
195.06476	0.4
195.11748	0.4
197.13274	0.8
199.05989	0.5
199.14813	1.7
201.11142	0.4
201.12823	0.4
201.16348	3.5
201.18091	0.2
203.10707	0.5
203.14326	0.4
203.17952	3.3
205.12256	0.7
205.19475	0.4
207.06393	0.4
207.17542	0.5
209.13216	0.3
211.14821	1.0
213.07607	0.4
213.12729	0.4
213.16324	1.2
215.17928	1.5
217.12296	0.6
217.15845	0.3
217.19423	1.0
219.13829	1.0
221.15265	1.1
223.14940	0.4
225.07544	5.2
225.09621	0.3
225.16422	0.6
227.14392	0.3
227.17961	0.7
229.12300	0.4
229.15921	0.7
229.19568	0.8
231.08574	0.2
231.13806	0.7
233.15422	0.9
235.16924	0.7
237.16364	0.3
239.17928	0.5
240.89381	0.2
241.15906	0.2
241.19536	0.8
243.08633	4.2
243.13850	0.4
243.21039	0.7
245.15294	1.9
246.39555	0.2
247.16896	7.4
253.19548	0.4
255.21063	1.3
257.15311	0.3
259.16971	0.5
261.09702	2.2
261.18454	0.3
265.19461	0.4
267.21066	0.5
269.22562	0.5
273.18604	0.4
275.20135	0.3
279.10657	1.7
279.21036	0.3
285.18488	0.5
287.19983	0.3
297.22183	0.6
299.20120	0.7
301.21674	0.8
307.24164	0.4
309.25955	0.5
313.21652	1.0
315.23163	4.2
321.22485	0.2
327.23151	0.3
341.24731	0.3
351.26987	0.3
367.26248	0.3
369.27847	2.9
377.32062	1.1
381.28116	0.6
387.29092	0.5
391.33624	1.3
393.26572	0.2
395.28714	0.3
395.33188	0.6
399.29025	0.3
401.31900	0.5
409.34695	1.0
419.32986	2.0
435.32611	0.3
437.34091	14.6
438.34521	0.3
441.30377	0.3
453.33771	0.4
455.35172	8.1
467.35376	0.3
497.36368	0.2
529.36780	0.4
533.36017	0.5
547.37817	0.7
551.37500	0.5
565.38739	0.2
569.38483	0.2
573.34192	0.3
585.38232	0.5
587.39325	3.4
629.40692	0.2
679.41931	0.3
697.42688	0.4
733.45178	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	733.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03939	1.3
55.01860	1.3
55.05502	3.8
57.03427	10.9
57.07066	1.0
59.04987	1.1
61.02916	1.5
65.03918	2.4
66.14861	0.3
67.05489	6.6
69.03416	12.7
69.07051	5.0
70.06577	0.9
71.01340	1.9
71.04980	60.3
72.05320	0.5
72.08121	0.5
73.02905	9.2
75.04462	3.6
79.05482	5.0
81.03394	2.0
81.07043	10.5
82.06592	0.4
83.04970	9.5
83.08613	2.0
83.13631	0.4
84.04506	0.4
84.08115	0.4
84.79124	0.3
85.02891	100.0
85.06510	0.8
86.03210	0.3
86.06060	0.5
86.09673	0.5
87.00822	0.3
87.04452	2.6
87.41081	0.3
91.05466	11.8
93.07027	8.1
94.07398	0.3
95.04956	3.3
95.08595	9.3
97.02876	12.7
97.06529	1.8
97.10160	0.9
99.04443	7.7
99.08077	0.4
101.06017	0.6
103.03929	1.0
103.05442	2.3
104.17970	0.3
105.07011	11.0
105.07701	0.7
107.04942	2.5
107.08576	31.4
109.02866	1.6
109.06504	12.8
109.10136	17.4
111.04433	6.1
111.08076	0.8
111.11695	0.4
112.07598	0.4
113.02399	0.6
113.06007	0.7
114.09145	1.9
115.03914	9.0
115.04675	0.6
115.05408	0.3
115.09515	0.4
117.05484	4.2
117.07015	1.5
119.04904	1.4
119.06067	0.5
119.08562	8.6
121.06490	19.2
121.10124	11.9
122.03645	0.3
122.06808	0.5
123.04478	0.9
123.08067	1.1
123.11683	12.6
124.05244	0.4
125.05980	1.2
127.03907	3.0
128.06215	0.6
129.05460	28.5
129.07040	1.0
130.08667	1.3
131.04890	3.6
131.08542	3.0
133.04956	1.9
133.06496	0.9
133.09143	0.3
133.10092	7.7
135.04404	0.5
135.08043	1.7
135.11670	6.5
136.07611	0.4
137.05951	5.2
137.06963	0.4
137.09560	0.8
137.13231	2.0
138.09114	0.4
139.03862	2.5
139.07571	0.6
143.03322	0.4
143.08543	1.1
144.09268	0.4
145.02858	0.8
145.04977	3.0
145.06525	0.6
145.10088	4.5
147.04433	2.8
147.06499	9.1
147.11667	4.8
148.11205	1.6
149.09592	34.9
149.13234	5.8
150.09953	0.5
151.03879	1.7
151.07545	0.5
151.11166	0.8
151.14789	0.4
153.05478	0.7
153.12721	0.7
155.08537	0.7
157.04955	1.1
157.10066	2.0
158.08139	0.8
159.08098	0.5
159.11681	5.0
160.09706	1.2
161.05928	2.0
161.09714	1.2
161.13234	4.8
163.03886	1.3
163.06021	1.8
163.07574	2.4
163.11214	1.1
163.14784	1.8
165.05460	0.8
165.12810	0.5
167.07092	0.9
167.10672	0.6
169.04924	0.6
169.10095	0.6
171.06519	1.9
171.11673	1.7
173.09666	0.6
173.13255	3.4
175.03949	0.4
175.07526	0.9
175.11195	0.7
175.14828	3.3
177.05513	1.4
177.09137	0.7
177.12787	0.5
177.16394	1.7
179.07047	0.7
179.10687	0.5
179.14288	0.4
181.05000	0.5
183.11702	1.0
185.13214	1.9
187.11176	0.5
187.14789	4.3
189.09151	0.9
189.12738	0.7
189.16313	3.3
191.10692	0.8
191.14388	0.5
191.17961	2.5
193.19521	0.4
195.06462	0.6
195.11682	0.6
197.13287	1.0
199.08676	0.5
199.14766	1.8
201.12674	0.5
201.16379	2.5
203.10643	0.4
203.14366	0.8
203.17912	2.5
205.15903	1.2
205.19525	0.5
207.06496	1.8
207.17458	1.5
208.06995	0.4
209.13393	0.6
211.14845	1.0
213.16353	2.9
215.14334	0.7
215.17877	1.5
217.15959	0.9
217.19492	0.6
219.10207	0.5
219.13840	0.4
219.17519	0.5
221.15370	0.4
225.07559	4.5
225.16457	0.7
227.14439	0.4
227.18047	0.6
229.16002	0.8
229.19559	0.6
231.13721	0.6
231.17429	1.5
233.15323	0.8
239.18027	0.6
241.15938	0.5
241.19545	0.8
243.08588	3.5
243.21103	0.6
245.15404	1.0
247.16902	3.3
253.19489	0.8
255.21109	1.2
261.09570	2.0
267.21106	0.6
273.22101	0.8
279.10696	2.0
279.21417	0.5
281.22433	0.5
299.20197	0.4
311.23785	0.4
313.21811	0.4
313.25208	0.9
315.23154	1.9
329.24884	0.5
331.26431	1.5
337.28882	0.5
351.26886	0.7
369.27829	3.6
377.32385	0.6
379.30038	1.4
387.29147	0.6
391.33536	0.7
395.33014	0.6
401.32120	0.6
407.33142	1.7
409.34723	0.7
419.33014	3.0
435.32202	0.5
437.34073	11.8
438.34671	0.4
453.32584	0.4
455.35220	4.6
456.35721	0.5
485.36920	0.6
509.37155	0.3
547.37866	0.6
565.39050	0.5
569.39459	0.4
587.39514	1.6
601.41138	0.8
613.41516	0.5
621.00104	0.3
715.44269	0.6
733.45050	27.0
734.45135	2.0
754.55743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01862	4.1
55.05502	11.3
57.03426	41.7
57.07062	2.4
59.04990	3.0
61.02916	4.4
65.03924	1.6
67.05494	18.0
67.05774	0.3
68.31516	0.5
68.46518	0.4
68.50896	0.4
69.03417	29.9
69.07056	13.7
70.06570	0.6
70.19543	2.6
71.01344	5.4
71.04596	1.0
71.04981	16.8
71.08611	0.5
73.02905	51.4
73.06540	1.1
75.04467	100.0
77.03880	0.5
79.05482	6.7
81.03404	4.1
81.07040	20.7
83.01334	0.6
83.04967	22.5
83.08608	3.3
85.02891	60.3
85.06569	0.5
87.04451	6.7
89.02396	0.5
91.05453	6.7
93.07032	14.4
95.04946	3.9
95.08588	26.0
97.02876	25.2
97.06490	2.7
97.10141	2.1
98.20764	0.7
99.04439	20.0
101.02402	0.5
101.05995	16.7
103.03955	1.7
103.05489	0.6
104.93638	0.4
105.07014	13.0
105.07702	0.7
105.45505	0.4
107.04957	1.1
107.07996	0.3
107.08575	18.6
109.02871	2.3
109.06499	2.2
109.10137	38.5
110.10484	0.5
111.04421	37.7
111.08102	1.1
111.11725	1.0
112.93720	0.4
113.05994	1.8
115.03100	1.1
115.03911	22.2
117.05479	6.3
117.06957	2.1
119.08564	15.0
121.06501	1.5
121.10123	19.6
123.04425	1.8
123.08031	0.9
123.11685	22.9
125.05952	2.1
127.03891	5.0
129.05460	29.1
129.07028	1.3
131.08549	6.3
133.04945	16.4
133.06483	0.7
133.10104	12.4
135.04417	1.2
135.08055	2.0
135.11668	16.3
137.02335	0.5
137.05914	0.8
137.13220	11.2
139.03883	3.9
139.07550	1.1
139.11150	0.8
141.05432	0.7
142.07791	0.7
143.03317	1.0
143.06987	0.4
143.08543	3.7
144.09247	0.6
145.04961	0.8
145.10097	9.2
147.06497	26.9
147.07826	0.9
147.11661	7.9
149.06000	1.0
149.09596	1.0
149.13225	7.8
151.03902	0.9
151.07535	1.6
151.11174	0.5
151.14793	2.4
153.05409	1.4
153.09099	1.3
155.08507	1.1
156.09402	0.8
157.04935	3.5
157.10075	5.1
158.10893	0.5
159.06645	0.5
159.08014	1.0
159.11676	9.9
161.09673	1.0
161.13231	7.7
163.03932	0.9
163.06039	2.3
163.07558	3.6
163.11205	0.6
163.14786	6.1
165.09149	1.2
167.07117	1.1
169.04976	1.8
169.10144	1.7
170.10841	0.6
171.06516	5.4
171.11659	5.3
173.11800	1.0
173.13228	8.0
175.06038	1.1
175.11150	0.4
175.14804	5.8
177.05498	0.6
177.09071	2.9
177.12825	0.5
177.16368	2.9
179.10696	1.5
179.14384	1.3
181.05011	1.5
183.06474	0.6
183.10284	0.5
183.11670	2.4
185.13235	5.9
187.05978	0.9
187.11200	0.8
187.14786	12.1
189.07660	0.5
189.09062	2.2
189.16389	6.2
191.10612	2.8
191.17905	12.5
193.12364	0.8
193.19571	1.7
195.06557	1.5
197.13272	2.1
199.06013	2.3
199.11099	0.7
199.14726	3.3
201.07585	0.5
201.12833	1.2
201.16342	7.9
201.18085	0.6
203.10733	1.5
203.14384	0.6
203.17928	6.1
205.12180	0.8
205.19519	1.7
207.06548	0.6
207.13768	0.8
207.17493	0.9
209.13283	1.1
211.14845	2.0
213.07726	0.7
213.12747	0.5
213.16338	3.0
215.10896	0.6
215.14275	0.5
215.17931	2.2
217.06998	0.9
217.12288	1.2
217.15833	0.7
217.19405	2.4
219.13756	2.2
219.21120	1.5
221.15405	1.5
225.07516	7.5
225.16389	1.4
227.14363	0.9
227.17836	2.1
229.12233	0.5
229.15948	0.7
229.19553	1.0
231.13774	4.8
231.17331	0.6
231.20996	0.6
233.15344	2.9
235.16971	0.7
239.17992	1.6
241.15929	1.0
241.19417	2.1
243.08636	5.8
243.21133	1.6
245.15337	5.5
247.16905	9.9
251.18015	0.8
253.15837	0.6
253.19569	1.7
255.17476	0.7
255.21165	1.7
257.15482	0.9
257.19031	0.6
259.17026	1.6
261.09653	3.2
261.18512	0.9
267.21097	1.5
269.22647	0.8
271.16953	0.7
271.20166	0.6
273.18549	1.4
275.20096	0.9
279.10800	1.6
279.21182	0.8
281.22507	0.9
283.20557	0.7
285.18610	1.0
285.22055	0.5
287.20093	0.9
289.21741	0.7
297.22192	0.6
299.20102	1.6
301.21567	2.6
309.25848	1.6
313.21463	2.4
315.23126	5.2
321.25885	1.1
323.27075	1.0
327.23236	0.9
341.24988	1.0
351.27112	1.5
353.24619	0.8
355.26620	1.1
367.26233	1.3
369.27823	14.8
377.31958	6.8
381.27853	4.7
387.28976	1.8
391.33868	1.0
395.33081	8.1
401.31857	1.0
409.34720	1.8
419.33029	5.2
437.34100	44.6
438.34238	1.1
449.33875	0.5
455.35168	18.0
479.35031	0.6
527.37384	0.6
533.36505	1.1
551.37396	0.6
569.38635	1.0
587.39453	1.1
733.45166	16.6
734.45392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01853	3.7
55.05500	6.4
57.03427	20.7
57.07072	1.7
59.04993	2.0
61.02919	3.3
65.03909	1.2
67.05495	9.9
69.03419	20.1
69.03714	0.4
69.07059	8.7
70.06565	0.8
71.01340	3.5
71.04980	56.3
71.12388	0.4
71.12754	1.1
73.02906	21.9
75.04467	37.3
76.28410	0.3
79.05478	5.5
81.03407	2.6
81.07042	15.5
83.04967	15.3
83.05465	0.8
83.08606	3.0
84.08138	0.4
85.02891	100.0
85.06525	0.6
86.03237	0.7
86.06058	0.4
87.04452	4.6
89.06049	0.4
91.05456	6.6
91.16920	0.4
93.07033	9.8
95.04962	3.6
95.08589	15.3
97.02874	18.1
97.06500	1.8
97.10161	1.3
99.04436	11.7
99.08083	0.6
101.05998	5.3
103.03941	1.2
103.05467	0.4
105.07020	8.8
107.04947	1.1
107.08576	22.2
109.02851	1.7
109.06500	2.3
109.10139	25.8
111.04426	16.0
111.08083	0.5
111.11712	0.7
113.02380	0.8
113.06015	1.0
115.03911	13.7
115.05489	0.6
117.05484	5.1
117.07023	1.6
118.16443	0.4
119.04915	0.6
119.08568	11.1
121.06502	3.2
121.10123	13.4
123.04414	0.7
123.08044	1.1
123.11686	13.7
125.06017	0.9
125.09608	15.6
127.03907	3.4
127.11175	1.0
128.06180	0.5
129.05460	30.6
129.07027	1.1
130.08643	0.5
131.08531	4.4
133.04945	6.9
133.06470	0.8
133.10106	8.6
135.04416	0.6
135.08035	1.0
135.11673	9.7
137.05983	1.4
137.09572	0.4
137.13214	5.8
139.03903	3.1
139.07536	0.7
139.11169	0.6
143.08525	3.3
144.09337	0.4
145.04958	2.8
145.06435	0.5
145.10107	6.7
145.11191	0.5
147.04539	2.7
147.06500	16.7
147.07950	1.0
147.11676	5.9
149.05969	0.4
149.09602	3.9
149.13228	4.8
151.03860	0.9
151.07567	1.2
151.11171	0.7
151.14806	1.0
153.05475	1.1
153.09081	0.5
154.63249	0.4
155.08556	1.2
156.09294	0.7
157.04967	2.2
157.10092	4.9
159.06566	0.6
159.08063	1.0
159.11668	6.7
161.06082	0.4
161.09628	1.4
161.13208	4.4
163.03883	1.0
163.06021	2.3
163.07535	1.5
163.11217	0.6
163.14789	3.4
165.05537	0.4
165.09093	0.9
165.12633	0.4
169.04922	0.5
169.10023	1.7
170.10861	0.5
171.06506	3.1
171.11664	3.6
173.08197	0.5
173.09660	0.9
173.13231	4.1
175.11192	0.8
175.14787	3.7
175.15938	0.4
177.05432	0.5
177.09048	1.7
177.12787	0.6
177.16315	1.8
179.10663	1.0
179.14336	1.0
181.04985	1.1
181.10178	0.5
183.06511	0.6
183.10277	0.4
183.11636	1.9
184.12447	0.4
185.09612	0.5
185.13257	4.1
187.14806	5.8
189.09116	0.6
189.12590	0.4
189.16339	4.2
191.10677	0.6
191.14279	0.7
191.17920	6.9
193.12215	0.7
193.15891	0.5
193.19530	0.8
195.06512	0.5
195.11726	0.6
196.12486	0.5
197.13188	1.8
199.06047	1.5
199.14783	2.8
201.12672	0.9
201.16379	4.6
203.10695	0.7
203.14285	0.8
203.17937	3.7
205.15900	0.5
205.19620	0.8
207.06503	0.4
207.11642	0.4
207.17453	1.1
209.13289	1.0
211.14799	1.7
213.07562	0.5
213.12698	0.5
213.16214	1.8
215.14308	0.9
215.17902	1.8
217.12219	0.8
217.15916	0.5
217.19572	1.9
219.13812	1.2
219.21155	0.8
221.15433	0.4
223.14778	1.1
225.07504	5.1
225.09352	0.4
225.16417	1.0
227.17862	1.8
229.15852	1.2
229.19566	1.2
231.13762	1.8
231.17412	0.6
233.15300	3.1
235.16881	0.4
237.16380	0.8
239.18018	1.3
241.16075	0.5
241.19510	1.1
243.08549	4.2
243.21040	3.5
245.15292	2.7
247.16905	4.0
253.19498	1.6
255.17361	0.6
255.21118	1.5
257.19080	0.5
259.16791	0.5
261.09665	3.1
265.19614	0.4
267.20929	0.4
269.22559	0.4
271.17157	0.4
271.20551	0.7
273.18509	0.5
275.20084	0.6
279.10754	1.6
283.20599	0.7
285.18509	0.5
285.22025	0.4
293.22818	0.5
295.24274	0.8
297.22287	0.6
299.20059	0.5
301.21588	0.8
309.25720	0.8
311.23743	1.0
313.21588	0.9
313.25119	0.6
315.23126	2.2
321.25946	0.7
327.23392	0.5
341.24854	0.7
349.28851	1.2
351.26678	0.6
355.26315	0.7
363.30505	0.5
369.27817	5.5
377.32031	2.6
381.27814	1.2
387.28906	0.8
391.33633	0.7
395.33167	3.5
401.32278	1.0
409.34747	1.5
419.33078	6.6
437.34079	22.8
438.34662	0.5
455.35184	9.3
455.41211	0.7
587.39038	2.0
715.44659	1.9
733.34259	1.8
733.45062	35.5
734.34125	0.4
734.45667	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	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01856	1.2
55.05496	3.2
57.03427	8.9
57.07057	0.8
59.04996	1.0
61.02921	0.8
62.01554	0.2
65.03931	0.6
67.05494	5.9
69.03418	14.0
69.07057	5.6
70.06564	0.4
70.65810	0.9
71.01345	2.1
71.04981	58.7
72.05313	0.3
72.08133	0.3
73.02905	7.1
75.04467	2.6
79.05482	2.9
81.03417	1.8
81.07045	9.4
81.07533	0.5
83.01310	0.4
83.04969	9.0
83.08598	1.4
84.08105	0.3
85.02892	100.0
85.06503	0.5
86.03227	0.5
86.06078	0.3
86.09686	0.3
87.04462	2.7
91.05454	3.1
93.07034	6.2
95.04952	2.2
95.08595	10.2
97.02877	13.8
97.06483	1.1
97.10145	0.8
99.04440	8.8
101.05985	0.6
103.03919	0.6
103.05453	0.4
105.07008	5.1
107.04944	0.9
107.08578	8.4
107.09312	0.5
109.02848	1.5
109.06496	1.1
109.10141	15.0
111.04428	6.1
111.05013	0.1
111.08056	0.8
111.11708	0.6
113.02351	0.5
113.05984	0.9
114.09150	0.4
115.03916	9.9
117.03357	0.2
117.05477	4.3
117.06989	0.7
119.04935	0.8
119.08559	5.4
121.06493	0.8
121.10126	7.9
122.06046	0.2
123.04426	0.7
123.08047	0.7
123.11689	15.9
124.12000	0.3
125.05950	0.7
125.09561	0.3
127.03885	2.6
129.05458	29.7
130.05785	0.5
130.08614	0.4
131.04913	0.7
131.08528	2.2
133.04953	1.4
133.06487	0.8
133.10101	5.6
135.04465	0.6
135.08052	1.1
135.11674	6.8
137.05965	1.8
137.09619	0.3
137.13228	3.5
139.03894	2.1
139.07527	0.5
139.11154	0.5
141.05396	0.3
143.03326	0.4
143.08551	1.4
145.02817	0.4
145.04935	4.3
145.06140	0.3
145.06541	0.3
145.10107	3.6
147.04482	2.0
147.06499	10.8
147.07922	0.6
147.11653	3.5
148.11168	0.4
149.05902	0.5
149.09557	0.5
149.13237	3.5
151.03841	0.9
151.07524	1.0
151.14799	0.5
153.05434	0.8
153.09032	0.2
153.12648	0.3
155.08546	0.5
156.09315	0.4
157.04999	1.1
157.10110	1.8
158.10793	0.2
159.06534	0.4
159.08038	0.6
159.11655	4.1
160.09700	0.5
161.05983	0.5
161.09604	0.7
161.13226	3.1
163.03873	0.7
163.05988	2.4
163.07498	1.9
163.11139	0.5
163.14799	2.4
165.05473	0.5
165.07634	0.3
165.09052	0.5
165.12662	0.3
165.16283	0.3
167.07008	0.5
169.04947	0.7
169.10086	0.5
171.06502	1.9
171.07819	0.4
171.11633	1.3
173.09581	0.3
173.13242	3.3
175.03821	0.3
175.07545	0.2
175.14790	2.3
177.05452	1.3
177.09087	1.3
177.12665	0.3
177.16370	1.4
179.06970	0.4
179.10640	0.5
181.04889	0.3
181.12160	0.3
183.06487	0.5
183.11667	0.7
185.13243	2.3
187.05885	0.3
187.11153	0.7
187.14801	4.0
189.05441	0.4
189.07480	0.2
189.08968	1.0
189.12704	0.4
189.16348	2.3
191.10625	1.4
191.17911	4.8
193.08636	0.2
193.12225	0.3
193.15921	0.3
193.19438	0.8
195.06415	0.4
195.11697	0.3
196.73541	0.2
197.08044	0.3
197.13232	0.5
199.06049	0.2
199.14777	1.1
201.12674	0.4
201.16336	2.7
203.10637	0.6
203.14392	0.5
203.17902	2.4
205.12238	0.5
205.19473	0.6
207.06461	0.7
207.13843	0.4
207.17284	0.3
209.13214	0.5
211.14720	0.6
213.07603	0.4
213.12703	0.5
213.16289	1.0
215.17899	0.9
217.12198	0.4
217.15773	0.4
217.19452	0.9
219.10074	0.3
219.13690	1.1
219.21074	0.4
221.15323	0.5
223.14693	0.3
225.07549	5.1
227.14351	0.4
227.17859	0.8
229.15784	0.5
229.19447	0.5
231.08492	0.2
231.13829	1.1
231.17395	0.2
233.15300	1.2
239.17819	0.6
241.15759	0.5
241.19469	0.5
243.08617	3.5
243.20987	0.6
245.15250	1.6
247.16911	3.9
253.19609	0.4
255.17339	0.4
255.21028	1.1
257.18686	0.2
259.16772	0.5
261.09692	2.6
261.18433	0.4
267.20926	0.4
269.22449	0.4
271.16937	0.5
273.18393	0.3
275.19949	0.3
279.10724	1.7
285.18509	0.5
285.21655	0.2
287.19980	0.4
289.21408	0.2
295.20581	0.2
299.19931	0.8
301.21469	0.7
309.25458	0.4
313.21521	0.8
315.20435	0.2
315.23163	2.4
321.25848	0.3
323.27264	0.4
327.23032	0.3
341.24713	0.4
351.26547	0.9
355.26138	0.3
367.26205	0.5
369.27829	6.0
377.32196	1.5
380.52441	0.2
381.27560	0.5
387.28601	0.7
391.33453	0.8
395.32919	0.7
399.28833	0.3
401.31891	0.3
409.34457	0.6
419.32932	1.7
437.34119	10.1
438.34201	0.4
455.35129	3.9
547.37335	0.3
565.38416	0.4
583.39465	0.3
587.38574	0.8
617.07440	0.2
673.42535	0.4
733.32397	0.9
733.45105	6.1
734.43823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01869	0.9
55.05499	3.8
57.03425	10.0
57.03703	0.5
57.07066	1.0
59.04982	0.7
61.02917	1.2
61.03201	0.3
65.03926	0.6
67.05493	6.5
69.03417	12.3
69.07056	5.9
71.01343	1.9
71.04978	58.2
71.08644	0.3
71.31629	0.6
72.05331	0.6
73.02901	8.1
75.04469	3.0
79.05467	3.7
81.03411	1.7
81.07043	12.0
83.01350	0.3
83.04967	9.9
83.08607	1.6
83.34059	0.2
85.02889	100.0
85.06532	0.4
86.03240	0.6
86.06073	0.4
87.04450	2.6
91.05454	3.1
93.07029	7.2
95.04952	2.5
95.08591	12.2
97.02874	14.2
97.06529	1.0
97.10161	1.0
99.04436	9.1
101.06001	0.9
101.75485	0.3
103.03941	0.6
105.07004	5.8
107.04930	0.7
107.08573	8.9
108.08866	0.3
109.02847	1.0
109.06505	1.1
109.10139	16.1
111.04424	7.1
111.08067	0.5
111.11689	0.6
113.02358	0.5
113.05993	0.6
115.03907	10.0
117.03394	0.3
117.05481	3.7
117.06996	0.9
119.08557	6.8
121.06488	0.9
121.10125	8.6
123.04412	0.6
123.08071	0.8
123.11681	16.9
125.05960	0.7
125.09628	0.4
127.03902	1.9
128.06172	0.3
129.05452	29.3
130.05821	0.3
130.77621	0.2
131.04976	0.3
131.08540	2.5
133.04977	1.6
133.06505	0.2
133.10109	5.7
135.04488	0.3
135.08014	1.2
135.11668	8.0
137.05951	0.9
137.09618	0.4
137.13219	4.6
139.03851	2.6
139.07516	0.7
139.11128	0.3
141.05424	0.4
141.06972	0.2
143.03409	0.3
143.08553	1.9
145.04942	3.8
145.06128	0.4
145.10109	4.2
147.04390	1.0
147.06494	11.4
147.11671	3.9
149.05959	0.5
149.09612	0.9
149.13219	3.9
151.03905	0.4
151.07512	0.9
151.14784	0.5
153.05418	0.4
153.09053	0.5
155.08577	0.5
157.04941	1.0
157.10104	2.0
159.06512	0.4
159.08015	0.5
159.11688	3.9
161.06038	0.3
161.09630	0.8
161.13228	3.4
163.05983	2.2
163.07516	1.6
163.14813	2.4
165.05484	0.3
165.09091	0.4
167.10707	0.3
169.05000	0.4
169.10123	0.5
171.06548	1.6
171.11671	1.9
173.04413	0.3
173.09563	0.4
173.13229	3.2
175.07585	0.3
175.14760	2.1
177.05434	0.5
177.09097	1.4
177.16356	1.6
179.07008	0.5
179.10638	0.7
179.14233	0.5
179.17902	0.3
181.05064	0.5
183.06659	0.3
183.10176	0.3
183.11682	0.7
185.13205	2.3
187.11201	0.4
187.14792	4.7
189.09070	0.9
189.12810	0.3
189.16354	2.6
191.10666	1.3
191.14317	0.4
191.17912	4.7
193.12199	0.4
193.19516	0.7
195.06403	0.4
197.13322	0.6
199.05981	0.6
199.14822	1.6
201.12772	0.4
201.16356	3.0
203.10693	0.5
203.14214	0.4
203.17911	2.9
205.12187	0.6
205.15860	0.3
205.19496	0.4
207.06474	0.6
207.17445	0.6
209.13269	0.4
211.14777	0.6
213.12640	0.3
213.16319	0.9
215.17963	0.8
217.07091	0.3
217.12206	0.4
217.19447	1.0
219.13741	0.8
219.20995	0.5
221.15326	0.6
223.14740	0.4
225.07541	5.1
227.14212	0.3
227.17871	0.7
229.12175	0.3
229.15926	0.3
229.19472	0.9
231.08809	0.3
231.13771	1.3
233.15305	1.0
239.17906	0.3
241.19444	0.7
243.08617	3.8
243.13585	0.3
243.21114	0.3
245.15364	1.9
247.16910	4.3
253.19421	0.5
255.21086	0.9
257.19058	0.3
259.16943	0.6
261.09671	2.6
261.18552	0.4
265.19534	0.3
267.20959	0.5
271.16971	0.4
271.20508	0.3
273.18484	0.6
275.20111	0.3
279.10767	1.8
281.22635	0.4
285.18372	0.5
287.20160	0.4
295.24350	0.3
297.22183	0.4
299.19843	0.7
301.21533	0.6
307.23907	0.3
309.25543	0.5
313.21555	0.9
315.23141	2.6
333.25427	0.4
341.24548	0.4
351.26773	1.0
369.23212	0.4
369.27814	5.7
377.32025	1.6
381.27762	0.9
387.28842	0.7
391.33414	0.8
395.33072	0.5
401.31909	0.5
409.34430	1.1
419.33105	2.1
437.34085	11.1
438.34308	0.3
453.33603	0.5
455.35162	6.2
467.35059	0.4
529.36084	0.4
533.35931	0.4
547.37604	0.6
551.37109	0.3
565.38733	0.3
587.39417	2.0
679.40814	0.4
715.43884	0.6
733.34497	0.6
733.45074	7.8
734.45062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01862	3.8
55.05504	10.8
56.92853	0.4
57.03428	36.6
57.07074	2.0
59.04996	2.8
60.76226	0.4
61.02921	5.0
65.03933	1.4
67.05495	14.8
69.03419	31.9
69.07056	14.6
69.48273	1.3
69.48700	2.8
70.06569	0.5
71.01341	6.4
71.04981	47.1
73.02906	45.4
73.03234	0.5
73.06527	0.6
75.04469	80.0
76.04784	0.6
77.03918	0.5
79.05483	7.3
81.03403	3.5
81.07045	24.1
82.07388	0.4
83.04967	22.4
83.08605	4.2
85.02892	100.0
85.06538	0.6
87.04458	6.2
91.05460	7.8
93.07027	13.7
94.07353	0.5
95.04958	4.4
95.08590	25.3
97.02876	27.2
97.06522	2.7
97.10143	2.1
98.06084	0.4
99.04443	19.6
101.06004	13.2
103.03949	1.6
103.05431	0.8
105.07010	13.4
107.04967	0.8
107.08573	19.9
109.02893	1.4
109.06515	2.0
109.10142	38.0
110.10464	0.4
111.04427	32.6
111.08083	0.9
111.11720	1.6
112.04710	0.4
113.02379	0.8
113.06027	1.1
115.03915	24.3
117.05482	7.2
117.06941	1.9
119.04931	0.8
119.08560	14.8
119.09389	0.8
121.02865	0.5
121.06490	1.2
121.10127	19.7
122.10429	0.4
123.04403	1.5
123.08057	1.2
123.11689	26.9
125.05959	1.9
125.09610	2.8
127.03906	5.8
127.11212	0.7
128.06221	0.6
129.05458	40.2
129.07022	1.4
131.08534	5.6
133.04951	12.6
133.06453	0.9
133.10106	12.5
135.04431	1.0
135.08046	2.2
135.11670	18.0
135.67609	0.5
137.05972	1.1
137.09633	0.7
137.13239	12.1
139.03865	3.9
139.07526	1.1
141.05478	0.4
141.06921	0.6
142.07745	0.5
143.03389	0.9
143.07095	0.7
143.08554	4.5
145.04939	2.8
145.06522	0.6
145.10109	9.0
147.04494	1.3
147.06500	26.6
147.07936	1.2
147.11658	9.1
148.11162	0.7
149.05966	1.4
149.09618	1.2
149.13234	8.9
151.03848	0.9
151.07518	1.9
151.11169	0.5
151.14850	2.2
153.05478	1.8
153.09077	0.9
153.12708	1.0
155.08549	0.9
157.04938	3.7
157.10107	6.1
159.06557	0.4
159.08060	1.1
159.11674	9.0
161.05972	0.5
161.09608	1.4
161.13229	6.8
163.03918	1.0
163.06030	2.6
163.07561	3.6
163.11185	1.0
163.14781	5.7
165.05450	0.8
165.09027	1.0
165.12784	0.5
165.16360	0.7
167.07072	0.5
167.10678	0.5
169.04951	1.3
169.10135	1.3
171.06541	4.8
171.07924	0.7
171.11673	4.7
173.09576	0.9
173.13257	7.2
175.06035	0.6
175.11139	1.0
175.14793	5.9
177.05511	1.2
177.09103	3.4
177.12674	0.5
177.16371	3.2
179.07091	0.7
179.10677	1.7
179.14340	1.3
181.04903	1.3
181.10176	0.8
183.06578	0.7
183.11597	1.9
185.13222	5.4
187.06033	0.8
187.11194	0.5
187.14789	10.4
189.07559	0.6
189.09106	1.8
189.12694	0.8
189.16347	6.2
191.10643	3.0
191.14333	0.6
191.17908	11.6
193.12320	1.1
193.19476	1.9
195.06491	0.9
195.11600	0.7
197.08127	0.8
197.13196	2.1
199.06004	2.3
199.14809	3.4
201.12737	1.1
201.16362	7.2
203.10701	1.2
203.14391	1.2
203.17921	7.1
205.12274	1.0
205.15910	0.9
205.19543	1.8
207.06566	0.6
207.13792	0.9
207.17386	0.7
209.13284	0.5
211.14771	1.8
213.07698	0.7
213.16309	2.8
215.14371	1.1
215.17935	2.9
217.07069	1.1
217.12222	1.1
217.19505	2.4
219.13760	2.3
219.21121	1.0
221.15369	1.2
223.14862	0.9
225.07556	9.2
225.09662	0.6
225.16368	1.5
227.14365	1.2
227.17862	2.2
229.12286	0.9
229.15865	1.5
229.19572	1.5
231.13779	4.1
231.17407	0.5
233.15273	2.7
235.16936	0.8
237.16386	0.9
239.17940	1.4
241.15858	1.1
241.19539	2.0
243.08630	6.7
243.13789	0.5
243.21042	2.1
245.15334	5.4
245.19185	0.6
247.16908	9.3
249.18484	0.5
253.19563	1.3
255.17523	0.7
255.21089	1.9
257.15463	0.5
259.16937	1.5
261.09665	3.5
261.18503	1.4
265.19553	1.0
267.21017	0.9
269.22543	1.0
271.16873	1.0
271.20474	0.5
273.18463	0.8
275.20154	0.8
279.10657	2.4
281.22617	0.6
283.24365	0.4
285.18521	1.4
285.22144	0.5
287.20160	1.0
289.21600	0.8
293.22827	0.5
295.20670	0.6
295.24036	0.5
297.22226	1.0
299.20087	1.4
301.21503	2.5
303.23312	0.6
309.25720	1.6
313.21613	1.7
315.23138	4.4
321.26010	0.9
323.27319	1.3
327.23239	0.9
329.24741	0.7
335.27515	0.4
339.26816	0.5
341.24609	0.9
351.26822	1.1
355.26367	0.7
367.26425	1.3
369.27829	15.0
377.32001	5.7
381.27707	4.4
387.28958	1.8
391.33682	1.3
395.33203	6.6
399.28983	0.7
401.32001	1.3
409.34509	2.2
419.32944	6.0
437.34076	39.1
438.34583	1.8
449.34271	0.7
455.35199	15.4
456.35745	0.6
479.34778	0.5
491.35175	0.4
527.37097	0.7
533.36182	1.5
551.37427	0.7
569.38281	0.7
587.39557	1.9
637.32043	0.5
673.43341	0.6
715.44574	0.6
733.45093	23.5
734.45471	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5608
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03936	1.0
55.01866	0.7
55.05500	9.5
56.05020	4.2
57.03419	0.7
57.07067	6.5
58.02932	0.6
60.04515	70.2
61.31538	0.5
65.03925	0.8
67.05492	13.5
68.05016	1.1
69.03404	0.5
69.07053	13.7
70.06584	2.9
70.84914	1.9
71.04981	0.9
71.08627	3.3
72.04504	3.8
73.25862	0.6
74.06080	2.9
79.05482	10.9
80.04995	1.4
81.03428	3.2
81.06589	1.1
81.07041	16.1
82.06566	2.4
83.04980	0.8
83.08609	8.6
84.08139	1.4
85.02878	1.1
85.10169	1.6
86.06049	2.6
86.82549	0.5
88.07641	0.7
90.05537	3.3
91.05468	8.6
93.07031	10.7
94.06556	4.5
95.04962	1.9
95.07342	0.8
95.08589	15.1
96.08104	2.8
97.06522	1.7
97.10154	5.8
98.06046	1.6
100.07609	0.9
105.07027	6.5
107.08578	5.6
108.08099	1.6
109.06533	0.8
109.10139	5.9
110.09698	1.0
111.08049	1.0
111.11743	1.5
112.07588	1.3
114.09150	0.7
116.07088	0.5
119.08549	6.0
121.10117	5.0
122.09687	1.3
123.08077	1.9
123.11713	2.2
125.09583	0.6
126.09190	0.7
133.08582	0.7
133.10114	4.6
134.98148	1.0
135.11691	1.8
136.11249	1.0
137.05969	0.8
137.09639	1.0
137.13235	0.8
147.11682	2.3
149.13275	1.3
163.14861	1.3
175.14723	0.6
233.22635	0.7
234.22147	0.8
238.25171	0.8
245.22600	4.3
250.25366	3.0
252.26843	0.7
262.25272	25.2
263.23557	5.3
266.24863	1.0
268.26294	1.5
272.25809	6.0
280.26328	23.7
282.27893	0.7
291.19431	0.9
298.27325	6.9
314.26755	3.1
316.28552	1.8
338.26355	0.6
344.27963	1.2
393.31067	0.6
461.43698	0.6
504.48099	0.9
516.47620	2.8
517.47614	0.6
534.48694	15.1
535.48932	1.1
552.49799	100.0
553.49908	4.7
570.50879	39.8
571.51306	1.9
603.46344	3.0
620.47705	1.3
719.03174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05497	1.7
55.62535	0.4
57.03429	2.3
57.07047	0.8
61.02915	5.5
67.05167	0.7
67.05496	6.7
68.05801	0.4
69.03413	3.6
69.04544	0.9
69.07050	2.3
71.01347	0.8
71.04988	1.0
73.02901	4.1
75.67574	0.4
79.05477	4.1
81.03416	1.4
81.07040	6.6
83.08592	1.2
85.02894	5.1
87.04469	0.4
89.06049	0.4
91.03938	3.9
91.05467	2.1
93.07027	5.6
95.08598	4.6
97.02863	4.4
97.03387	0.5
97.06544	0.7
99.04440	0.6
101.02341	2.1
101.64433	0.4
105.07033	2.0
107.08569	2.9
109.02870	0.9
109.06446	0.4
109.10140	1.4
111.08067	0.4
117.07005	0.8
119.08572	1.5
121.10123	1.9
123.11720	0.5
127.03915	1.1
131.08539	1.0
133.10110	0.5
135.11671	1.0
147.11826	0.6
149.13277	1.6
159.11679	0.7
185.04211	0.9
195.13748	0.5
229.87228	0.4
235.13075	1.1
243.08485	2.1
259.28836	0.4
263.49188	0.4
269.17340	0.5
291.15784	0.5
310.22519	0.4
335.25635	0.6
447.35632	0.4
453.20959	5.8
519.29156	6.5
520.30200	0.5
540.92725	0.4
597.87311	0.6
731.43262	100.0
732.43591	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	732.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01862	1.8
55.05505	7.9
55.25051	0.7
57.03424	7.9
57.06791	1.2
57.07066	22.2
64.94991	0.7
67.05490	13.8
69.03415	1.1
69.07055	8.3
71.04969	2.9
71.08234	1.2
71.08620	19.2
71.79880	1.0
73.02908	1.3
77.03960	0.7
79.05485	12.9
81.03387	1.5
81.06591	1.5
81.07042	20.7
83.04947	1.8
83.08611	12.5
85.02893	1.8
85.06523	1.0
85.10168	11.8
89.05994	1.6
91.05470	5.0
93.07031	19.8
95.01312	1.3
95.04960	4.6
95.08590	34.8
97.02870	2.9
97.06512	2.2
97.10151	3.3
99.04433	2.8
103.05439	0.9
103.07548	0.9
105.07009	5.5
106.40518	0.7
107.04939	6.1
107.08574	16.7
109.06506	1.6
109.10149	6.3
111.08060	1.3
117.06987	6.3
119.08568	5.8
121.06476	4.8
121.10124	9.2
123.11691	2.8
125.05984	2.0
129.85141	1.0
130.07790	1.5
133.10124	2.1
135.08073	1.8
135.11670	39.7
136.11990	1.2
137.13222	1.4
139.07523	1.6
141.01822	0.9
145.10110	21.6
153.12723	1.1
163.11156	50.2
164.11519	0.7
173.09602	0.9
181.12218	8.0
184.07336	1.6
209.11737	1.8
227.12747	57.7
228.13179	0.9
239.23775	1.6
250.78442	0.8
257.24728	1.8
283.15363	90.7
284.15656	1.4
313.27310	91.7
314.27701	1.9
353.43866	0.9
423.16504	0.9
423.42590	0.8
451.53177	0.9
459.18738	1.8
489.30020	1.1
521.38306	100.0
522.38776	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	729.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.22878	0.5
55.01850	2.2
57.03410	0.8
65.03612	0.9
65.03931	12.4
67.05476	1.8
69.03414	2.6
69.07044	0.5
70.06577	1.4
70.12410	2.5
71.04980	1.3
72.08109	1.1
75.04451	0.6
77.03909	0.5
78.04681	1.1
78.15394	0.5
79.05472	4.0
79.32195	0.6
81.03395	2.2
81.07030	1.4
82.04174	1.7
83.04952	0.7
85.02898	4.6
86.09673	0.9
89.03929	0.8
91.05465	5.9
93.03396	3.1
93.07011	1.2
95.01324	1.9
95.04956	3.4
97.02867	2.0
97.06496	1.2
98.20708	0.7
99.04427	0.6
103.05452	3.1
105.07023	6.3
106.04140	1.0
107.04946	7.0
107.08554	0.7
108.02056	1.1
108.05223	0.6
109.02866	2.1
109.06484	0.8
110.03648	11.5
110.06049	0.6
111.04428	18.5
112.04798	0.6
114.09140	1.2
115.05431	3.4
117.03381	0.6
117.06989	1.7
118.04150	1.4
119.04933	6.8
119.08578	2.4
120.08080	2.0
121.02905	1.3
121.06482	1.5
122.03614	0.9
122.06061	0.7
123.04400	3.0
124.05200	1.5
125.05972	15.0
126.06298	0.6
127.03881	2.5
127.51173	0.5
128.06209	2.0
129.06987	4.4
130.04131	0.8
130.08591	1.5
131.04897	4.9
131.08482	0.6
132.05688	1.5
133.02811	2.6
133.06464	5.3
134.03578	1.0
135.04393	1.0
136.05278	0.7
137.05956	10.2
138.03088	1.0
140.04642	0.7
144.05655	1.2
144.46193	0.6
145.02823	1.9
145.06442	1.7
146.07240	0.7
147.04391	9.4
147.08018	2.2
148.11208	4.1
149.05943	2.2
149.11562	0.6
151.03868	2.0
151.07520	1.7
152.04665	1.1
152.07135	0.6
153.05443	76.6
154.05864	0.7
155.04866	1.2
157.06451	1.3
159.08029	5.6
160.05150	0.8
160.07532	1.0
161.05952	6.7
161.09550	0.6
162.06723	1.1
163.03912	2.9
163.07530	1.6
164.04623	0.6
165.05484	1.3
165.06970	1.1
167.07019	41.2
169.06439	0.8
171.04427	1.4
171.08130	0.8
172.05162	1.9
174.06752	0.6
175.03937	1.5
175.07527	10.6
176.04604	0.6
177.05403	5.0
177.06749	0.7
178.07779	2.3
179.07024	5.2
179.08475	1.1
181.04982	1.2
181.08763	0.5
184.05121	0.7
185.05919	2.2
186.06798	3.2
187.07510	11.5
189.05423	4.9
189.07013	1.8
189.08966	0.7
190.07750	1.9
191.07101	4.2
191.08261	3.9
193.04849	0.7
193.10130	0.6
194.07281	0.7
195.07986	0.9
198.06752	0.9
199.07509	6.0
201.05420	1.5
202.07640	2.8
203.08577	3.3
205.06549	3.3
206.07289	2.4
207.06335	2.7
207.08075	2.1
208.08757	1.7
209.07889	1.0
209.09633	0.7
214.06133	1.2
214.14436	0.6
215.06981	2.3
215.08755	1.3
216.07771	10.1
217.06448	1.9
217.08336	0.9
218.07202	4.2
219.08028	9.4
219.09985	0.9
220.08693	4.1
221.05936	2.4
221.09634	2.3
222.06590	0.9
223.07607	1.0
229.06348	1.0
229.08528	9.9
230.07100	1.1
231.07976	4.8
232.08778	1.7
233.05962	2.4
233.09544	2.8
234.06700	3.8
235.07512	6.0
235.11072	0.8
236.08252	5.2
237.09140	2.0
239.06998	0.7
243.08043	1.1
245.05835	1.1
246.06754	2.5
247.07512	6.7
248.08235	4.8
249.05385	1.3
249.08955	6.7
250.06235	1.2
250.09843	1.7
251.07018	1.7
251.10616	13.1
253.08636	1.8
258.06708	1.0
259.07541	2.0
260.08331	2.2
261.05527	2.4
261.09088	4.1
262.06161	1.8
262.09811	1.2
263.06940	3.4
263.10696	1.7
264.07761	10.9
265.08542	8.0
266.09335	1.8
267.10562	0.6
268.10721	0.6
273.09064	1.7
274.06174	1.0
275.06989	4.0
276.07748	8.6
277.05331	1.0
277.08493	7.6
277.11682	0.8
278.09238	5.0
279.07056	0.6
279.10089	8.5
280.07428	0.9
280.10696	1.3
281.08603	1.3
281.11703	5.3
288.07816	1.8
289.08459	3.8
290.09393	1.3
291.06836	1.2
291.10144	3.7
292.07306	4.2
292.10788	1.0
293.08109	5.8
293.11685	1.6
294.08777	1.8
295.09634	1.0
296.10553	1.3
304.07330	2.0
305.08136	2.6
305.11609	1.1
306.08789	2.1
307.09604	42.6
308.10297	7.2
309.11127	7.1
311.12833	2.7
319.09579	9.0
320.10492	2.2
321.11212	5.2
322.11938	0.9
323.09460	1.0
323.12753	6.2
324.10049	2.1
325.11407	1.2
326.11533	1.8
336.09872	1.3
337.10721	2.7
338.11285	1.2
339.12234	100.0
340.12817	3.3
341.13815	14.7
351.12256	29.0
352.12830	2.6
353.14368	4.8
369.13431	3.7
370.13940	0.7
383.12292	1.7
385.13788	2.3
408.54626	0.6
492.17725	1.0
499.17438	1.6
508.10889	0.5
711.28632	0.7
729.32001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01859	1.5
57.03421	0.9
61.02911	0.5
65.03928	8.4
67.05483	2.3
69.03409	2.1
70.06574	1.0
70.09758	2.8
70.38483	0.5
77.03915	0.5
78.04691	0.9
79.05482	4.0
81.03405	1.8
81.07053	0.8
82.04189	1.9
85.02903	4.2
89.03871	0.8
91.05462	6.0
93.03394	3.5
93.07008	0.8
94.04195	0.7
95.01317	1.4
95.04986	2.5
97.02871	1.9
97.06522	1.2
98.33341	0.5
103.05435	2.7
105.03410	0.7
105.07014	5.7
106.04117	0.7
107.04957	5.6
108.02075	0.9
109.02897	1.0
110.03648	8.4
111.04424	14.3
114.09082	0.6
115.05430	2.3
117.03362	0.7
117.06960	1.5
118.04140	0.6
119.04935	5.8
119.08563	1.8
120.08128	1.1
121.02880	0.9
121.06480	0.7
122.03641	1.3
123.04417	2.6
123.08103	0.6
124.05150	1.3
125.05969	15.3
125.06890	0.8
127.03876	1.1
128.06230	1.2
129.06978	3.7
130.04152	0.7
130.08597	0.9
131.04926	3.9
131.08563	1.0
132.05695	1.1
133.02832	2.2
133.06470	4.6
134.03549	0.6
134.05949	0.8
135.04417	1.3
136.05130	1.0
137.05971	7.7
138.03099	1.0
138.06372	0.6
141.06961	0.6
144.05748	0.6
145.02856	1.2
145.06454	1.5
147.04388	7.7
147.08041	2.2
148.11166	7.9
149.05945	2.0
149.11525	2.1
151.03920	0.7
151.07507	2.0
152.04686	1.3
153.05449	65.2
154.05751	0.9
155.04909	1.2
159.08032	6.1
160.05133	1.2
161.05977	6.2
163.03865	4.3
163.07555	1.7
164.04398	0.6
165.05333	0.7
165.06949	1.0
167.07019	36.8
168.05829	0.5
168.07358	0.6
169.06534	0.8
171.04370	1.0
171.08054	0.6
172.05191	2.1
175.03926	1.2
175.07513	8.7
177.05486	4.0
178.07671	0.9
179.07001	3.9
179.08470	0.9
179.59134	0.6
181.04939	0.8
181.08572	0.7
184.05135	0.8
185.05968	1.8
186.06764	3.1
187.07512	10.9
189.05435	3.8
189.07028	1.8
189.08900	0.8
189.12791	0.8
190.07654	2.7
191.06982	4.9
191.08557	4.5
192.09355	0.6
193.06476	0.8
194.07303	0.9
195.08099	0.8
198.06767	1.4
199.07503	4.3
201.05396	0.9
202.07762	2.9
203.06946	0.7
203.08600	3.3
204.09348	0.7
205.06502	2.0
206.05534	0.5
206.07210	2.4
207.06375	2.4
207.08046	1.8
208.08734	1.2
209.08028	0.9
211.07632	0.8
214.06189	1.3
215.06989	2.1
215.08783	1.1
216.07764	8.3
217.06503	1.3
217.08435	0.8
218.07245	4.3
219.07994	9.1
219.09920	0.9
220.08832	4.6
221.05969	2.3
221.09488	3.1
222.06766	1.1
222.10197	0.6
223.07552	1.3
223.11029	0.6
225.09013	0.6
229.06602	0.8
229.08582	6.5
230.07242	1.3
231.08096	4.2
232.05399	0.7
232.08806	1.4
233.05988	2.8
233.09569	3.7
234.06737	3.7
234.10245	0.6
235.07516	6.1
235.11209	1.0
236.08299	4.9
237.09178	3.2
245.05937	1.1
245.09680	0.6
246.06723	2.9
247.07481	5.5
248.08313	4.3
249.05367	1.3
249.09059	6.8
250.06204	1.3
250.09818	1.8
251.06953	2.5
251.10655	10.5
253.08636	1.4
259.07474	1.9
260.08331	1.9
261.05505	2.2
261.09067	3.9
262.06302	1.6
262.09821	1.1
263.07013	3.0
263.10553	1.5
264.07767	8.6
265.04456	0.6
265.08575	9.8
266.09332	1.1
267.10257	0.5
273.05396	0.9
274.06250	1.2
275.06958	3.1
276.07758	8.2
277.08630	6.2
278.09299	5.2
279.06778	0.8
279.10129	6.6
280.07373	1.1
280.10873	1.8
281.08069	2.1
281.11719	4.4
288.07739	1.3
289.08478	3.4
289.19073	0.9
290.05762	0.5
290.09302	1.7
291.06992	0.8
291.10138	3.7
292.07278	2.5
292.10675	1.2
293.08026	6.2
293.11621	1.3
294.08817	2.4
295.09552	1.4
296.10538	1.0
304.07407	2.5
304.10477	0.6
305.08035	2.1
306.08716	1.8
307.09622	33.4
308.10345	7.0
309.07809	0.7
309.11115	5.2
310.11627	0.8
311.09445	0.6
311.12613	2.4
319.09631	7.4
320.10220	1.8
321.11151	5.5
322.11993	0.9
323.12747	5.3
324.09744	1.4
324.13400	0.7
325.14496	0.8
326.11362	1.0
336.09854	0.9
336.13708	0.6
337.10623	2.7
337.14136	0.8
339.12234	100.0
340.12646	2.8
341.13843	12.7
351.12228	27.6
352.12753	2.2
353.13815	5.3
358.89569	0.5
369.13406	2.8
441.18323	0.6
499.17450	1.7
522.17999	0.9
531.19775	0.7
554.21228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
54.45446	0.5
55.01862	2.7
55.05493	1.0
55.72681	0.5
57.03415	1.4
60.21033	0.6
61.02895	1.7
65.03933	9.4
66.04724	0.6
67.05493	3.2
68.99783	0.7
69.03418	5.5
69.07047	1.3
70.06576	3.2
71.04964	1.1
71.79504	1.0
72.08157	0.7
73.02892	0.8
78.04691	1.7
79.05478	6.0
81.03405	4.3
81.07041	1.7
82.04176	1.8
83.04952	0.9
84.08121	0.8
85.02887	11.1
85.06528	0.7
86.09692	1.5
86.44328	0.5
89.03905	0.7
89.57371	0.5
91.03920	0.6
91.05463	11.2
93.03376	2.3
93.07015	1.4
94.04158	0.9
94.06550	0.7
95.01299	1.3
95.04961	3.8
95.08595	1.6
97.02847	4.6
97.06508	1.8
99.04429	1.2
103.05449	5.6
105.03355	1.0
105.07009	9.1
106.04127	1.0
107.04939	10.4
107.08553	1.2
108.04489	0.7
108.05704	0.7
109.02859	3.2
109.06461	0.9
109.10114	1.3
110.03639	8.8
111.04427	15.8
114.09158	1.4
114.12783	0.7
115.05434	4.7
116.06246	0.6
117.03339	1.7
117.07029	3.0
118.04124	2.2
119.04929	10.4
119.08549	6.5
120.08081	1.0
120.31165	0.6
121.06493	2.2
121.10078	1.3
122.03635	1.9
122.05939	1.0
123.04398	5.8
123.08031	0.7
124.05183	3.4
125.05970	12.6
127.03892	3.5
128.06197	2.4
129.05463	0.6
129.06982	6.8
130.04109	1.3
130.08617	4.1
131.04904	7.8
131.08571	1.3
132.05727	3.0
133.02826	3.9
133.06468	7.3
133.10075	2.3
133.32864	0.6
134.03569	0.6
135.04398	1.1
136.05199	1.0
136.07552	0.7
137.05948	15.6
138.03014	0.8
141.06973	1.5
143.04871	1.4
144.05681	2.1
145.02817	3.9
145.04822	0.7
145.06493	2.9
145.10086	0.6
146.52501	0.6
147.04375	13.3
147.08055	5.4
147.11624	1.1
148.11163	2.9
149.05954	3.0
149.11449	0.7
151.03876	2.5
151.07491	3.4
152.04631	1.4
153.05441	52.6
155.04834	1.3
156.05667	1.0
157.06470	1.6
159.04407	0.8
159.08022	9.0
159.11678	0.9
160.05148	2.0
161.05946	11.1
162.06604	0.8
163.03864	4.1
163.06261	0.6
163.07483	3.2
164.04497	0.5
164.07068	0.6
165.05434	1.9
165.06888	1.2
167.07013	100.0
168.07370	1.4
169.06448	1.7
171.04396	1.0
171.08002	1.3
172.05179	1.9
173.05914	1.4
173.09566	0.8
174.06766	0.9
175.03976	3.2
175.07515	31.4
175.14735	5.5
176.04623	1.9
176.07837	0.6
176.15114	2.2
177.05457	8.3
177.09119	0.9
178.07732	1.4
179.07011	9.0
179.08449	1.2
181.04964	1.3
181.06424	1.4
181.08545	1.1
183.04359	0.6
183.06477	0.8
184.05185	2.1
185.05936	2.4
186.06747	2.5
187.07507	15.9
187.11038	0.8
189.05423	5.8
189.07007	2.2
189.09047	1.5
190.07753	3.5
191.06990	13.0
191.08548	4.2
192.09290	1.0
193.04874	0.8
193.06604	1.3
193.08571	6.0
193.10103	0.9
193.15826	0.8
194.07246	1.0
195.08073	0.7
198.06638	1.0
199.07526	11.3
201.05385	1.5
201.09024	3.0
202.07716	3.3
203.06993	0.7
203.08586	4.8
204.09283	0.7
205.06389	2.8
205.10251	1.1
206.07190	2.3
207.06351	7.0
207.08171	2.8
208.08687	0.7
209.07970	1.2
209.09721	0.9
214.06160	0.6
215.06987	2.4
215.08624	1.5
216.07761	6.8
217.06429	2.6
217.08434	1.2
218.07217	5.7
219.08080	9.8
219.10020	1.1
220.08727	4.6
221.05972	1.8
221.09624	3.2
222.06435	0.8
223.07393	1.3
225.09073	1.1
229.06546	1.0
229.08524	5.8
230.07277	0.7
231.08055	5.1
232.08749	2.7
233.05980	3.7
233.09543	4.8
234.06721	3.8
235.07538	5.1
236.08195	4.6
237.09085	2.9
238.05840	0.7
243.08069	0.7
245.05893	1.6
245.09650	1.3
246.06714	3.2
247.07532	7.8
248.08319	4.7
249.05447	1.3
249.09077	6.6
249.11069	0.7
250.06226	1.2
250.09842	2.3
251.06880	1.3
251.10645	10.5
252.07872	0.8
253.08560	1.5
258.06714	1.3
259.07605	3.9
260.08264	2.4
261.05899	2.8
261.08987	5.5
262.06198	2.6
262.09769	1.7
263.06976	4.6
263.10583	2.9
264.07791	10.0
265.08548	10.7
266.09357	1.8
267.10114	1.0
273.09000	1.8
274.06363	1.9
275.06979	4.8
275.09805	0.8
276.07758	10.6
277.08545	8.0
278.09293	5.2
279.06769	1.2
279.10043	7.6
280.07315	1.1
280.10831	1.8
281.08008	2.2
281.11661	5.6
287.07025	1.0
288.07797	2.4
289.08487	4.8
290.05811	1.0
290.09332	2.9
291.06543	1.8
291.10107	6.7
292.07251	1.5
292.10764	1.2
293.08041	7.2
293.11627	1.8
294.08838	1.6
295.09671	1.8
296.10370	0.9
301.08527	1.5
303.10049	0.8
304.07263	3.3
305.07956	2.6
305.11481	1.1
306.08765	2.7
307.09598	27.9
308.10364	8.5
309.08023	0.8
309.11237	6.2
311.09393	1.2
311.12756	4.5
315.12146	0.6
318.08551	0.8
319.09619	17.2
320.10391	4.2
321.07529	1.2
321.11096	9.4
322.11954	1.1
323.09158	1.5
323.12680	7.7
324.09814	1.3
324.30566	0.7
325.10599	0.9
325.14093	1.1
326.11404	0.9
336.09833	1.7
336.13330	1.2
337.10629	2.3
337.14340	0.8
338.11188	0.9
339.12216	74.7
340.12692	2.6
341.09894	0.6
341.13776	12.1
351.12210	46.3
352.12939	2.6
353.13809	9.2
355.15463	1.3
369.13293	6.2
371.14969	1.0
499.17090	1.4
501.18790	0.6
666.34674	0.7
703.24628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2075
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03926	0.2
55.01858	0.3
55.05484	0.3
57.03429	2.0
61.02920	0.7
68.00305	0.1
68.99786	0.2
69.03421	2.1
69.07065	0.1
70.06573	0.4
71.01345	0.2
71.04984	7.5
71.79526	0.2
72.05340	0.1
72.08126	0.2
73.02517	0.1
73.02907	1.8
75.04459	0.4
79.05455	0.1
81.03411	0.8
83.04972	1.4
84.08134	0.1
85.02897	11.8
87.04446	0.5
91.03924	0.1
91.05469	0.2
95.04962	0.2
97.02886	3.3
99.04427	0.4
103.03935	0.1
103.05449	0.2
105.03378	0.1
105.07020	0.2
107.04988	0.5
109.02859	0.6
111.00790	0.3
111.04422	1.0
114.09137	0.3
115.03911	1.3
119.04893	0.2
121.02853	1.5
121.06506	0.2
123.04398	0.2
127.03905	1.2
129.05457	3.3
129.06938	0.1
130.08640	0.3
131.04865	0.1
131.12886	0.1
133.02858	0.2
133.04922	0.2
133.06465	0.3
133.10132	0.1
135.04367	0.2
137.02324	0.3
137.05972	0.5
139.03874	0.1
139.07443	0.1
141.05354	0.1
145.02733	0.1
145.04921	0.6
145.06461	0.2
147.04407	0.8
147.06496	1.5
149.04443	0.1
151.03874	0.2
151.07553	0.1
153.01801	2.0
157.05037	0.1
157.06404	0.2
161.05925	0.2
163.03882	0.4
163.05943	0.2
163.07481	0.2
165.01837	1.0
171.04390	0.1
171.06516	0.1
175.03888	0.2
177.05409	0.3
179.07019	0.2
181.04842	0.1
183.01505	0.1
183.02863	0.5
183.06473	0.1
185.05933	0.1
187.07445	0.1
203.06956	0.2
207.06580	0.3
212.64708	0.1
213.05490	0.7
225.07503	0.9
231.06526	0.4
241.04843	0.4
241.07024	0.1
243.08601	0.3
249.11095	0.1
258.05185	0.6
259.05991	0.4
269.04431	0.2
279.10818	0.2
286.04660	0.1
287.05463	100.0
288.05801	2.4
299.05435	0.3
300.06387	0.1
303.04935	0.4
309.74915	0.1
329.06558	0.5
353.06183	0.2
419.13846	0.1
431.09241	0.1
449.10754	2.7
526.20819	0.1
727.26819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29365	0.5
52.89920	0.4
53.03931	1.8
55.01862	1.8
55.05501	14.3
56.32026	0.6
57.03424	11.1
57.07056	1.9
61.02906	4.3
65.03927	2.5
67.05492	65.7
69.03413	1.6
69.07053	19.8
70.99479	1.7
71.04977	4.6
71.08627	1.3
73.02898	1.8
79.05476	38.6
80.05816	0.6
81.03394	2.0
81.07039	79.8
82.07365	0.9
83.04990	2.8
83.08603	13.3
83.09351	0.6
85.02895	4.7
85.06535	3.3
85.69198	0.5
91.03926	2.0
91.05461	24.0
93.07026	54.3
94.07365	0.6
95.04952	4.9
95.08584	35.9
97.02908	2.5
97.06503	7.1
97.10149	2.6
99.04461	0.7
99.08073	1.7
105.04515	0.6
105.07007	12.5
107.08569	29.4
109.06491	1.7
109.10133	14.3
111.08037	4.0
111.11674	0.6
117.06998	7.9
119.08552	7.6
121.06506	1.5
121.10121	18.7
123.08035	1.2
123.11676	7.4
125.09610	1.0
129.06978	0.9
131.07617	1.1
131.08539	11.8
133.10100	13.7
135.08037	1.2
135.11667	12.5
137.09618	0.8
137.13268	1.4
145.10089	5.2
147.11644	4.8
149.09541	0.9
149.13222	14.2
149.14427	0.7
151.11130	1.6
157.10132	0.9
159.11667	10.4
161.13234	3.6
163.14787	1.9
167.14345	0.9
171.11635	0.6
173.13202	3.1
175.14807	1.6
177.12675	3.3
177.16287	0.7
187.14764	1.1
195.13763	8.7
201.16386	0.9
213.14822	1.5
215.17999	0.6
233.22658	0.6
243.20990	2.7
253.17809	0.5
259.20514	0.6
261.22061	8.7
262.22403	0.7
267.15857	1.6
269.17422	70.7
270.17764	1.7
275.20111	0.5
293.21039	2.1
317.24677	2.1
335.25735	92.4
336.26172	4.3
390.41779	0.6
413.21796	0.7
419.32748	0.6
437.33969	2.2
455.35052	0.7
511.37665	1.2
529.38788	100.0
530.39148	5.7
547.39734	2.1
552.27966	0.6
740.99579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01862	1.2
55.05502	10.2
55.09666	0.4
57.03151	0.8
57.03427	10.4
57.07064	2.3
61.02911	2.2
65.03932	2.0
65.82346	0.3
67.05492	50.2
69.03413	1.4
69.07055	15.0
70.98698	1.1
71.01347	0.4
71.04980	3.2
71.08621	0.5
73.02900	1.1
77.03894	0.7
79.05479	30.6
81.03410	0.9
81.07040	60.1
83.04966	3.9
83.08603	8.8
83.09067	0.7
85.02883	2.0
85.06528	2.8
91.03945	1.3
91.05463	15.3
93.07027	45.8
94.07355	0.9
95.04945	4.1
95.08590	27.7
96.08936	0.5
97.02876	1.7
97.06519	8.5
97.10169	1.7
99.04427	0.5
99.08066	1.9
105.07018	8.8
107.04953	0.4
107.08571	27.2
109.06475	2.1
109.10144	8.1
109.10880	0.7
111.08053	3.3
111.11716	0.6
113.06020	0.5
113.09633	0.8
115.05380	0.4
116.94125	0.3
117.07000	6.1
119.08564	6.7
121.06477	0.5
121.10126	19.1
122.10458	0.7
123.08067	0.9
123.11678	3.5
125.09624	1.1
129.07010	0.5
131.08543	8.7
133.10109	7.8
135.08067	0.8
135.11662	10.0
137.09619	0.5
137.13203	0.7
139.11186	1.3
143.08542	0.7
145.10075	3.5
147.11644	4.3
149.09607	0.7
149.13226	20.6
150.13589	0.4
151.14735	0.4
153.09082	0.5
157.10135	0.6
159.11658	9.7
159.12933	0.6
161.13225	2.2
163.13522	0.4
163.14839	1.7
165.12698	0.6
171.11659	0.5
173.13187	2.5
175.14838	0.8
177.12711	3.3
179.76540	0.4
185.13255	0.5
187.14853	1.3
195.13763	6.5
201.16374	0.6
213.14696	0.9
243.21100	2.2
259.20477	0.6
261.22086	6.8
263.59393	0.4
267.15854	2.1
269.17432	69.4
270.17856	1.9
271.19116	0.4
275.58569	0.4
293.07080	0.4
317.24716	2.0
335.25739	50.1
336.26111	1.1
437.34174	1.3
455.35004	1.2
473.36133	0.6
511.38190	0.5
529.38806	100.0
530.39130	4.1
547.39618	1.6
554.36859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.5
53.03938	4.9
55.01853	2.9
55.05503	18.0
57.03428	21.3
57.07059	3.1
59.04984	1.3
61.02916	5.6
65.03926	3.0
67.05493	68.0
69.03419	5.8
69.07050	15.5
71.04967	3.4
71.08586	1.4
73.02891	1.6
74.09715	1.1
74.30630	1.0
79.05016	2.4
79.05480	49.9
81.03404	90.6
81.07042	68.0
82.03760	1.2
82.07354	1.4
83.04952	7.7
83.08607	22.3
85.02888	6.1
85.06529	3.1
91.03937	1.9
91.05467	37.0
93.07027	54.1
95.04953	36.4
95.08590	52.2
96.08900	1.5
96.80757	0.9
97.02866	5.9
97.06510	4.7
97.10138	6.7
99.08092	1.1
103.05438	1.1
105.07011	27.3
107.04932	7.0
107.08572	29.6
109.06496	4.8
109.10142	22.8
111.04456	1.2
111.08062	8.5
113.00048	1.1
115.05421	2.2
117.06997	7.3
119.08563	26.7
121.06498	4.8
121.10123	25.1
123.04391	1.9
123.08037	4.1
123.11674	8.2
125.09611	5.5
129.06969	10.9
131.08540	21.6
133.06473	3.0
133.10110	16.8
135.08051	2.6
135.11652	13.7
137.09608	2.2
137.13223	1.9
142.07751	2.4
143.08548	1.7
145.10098	12.8
147.04353	1.8
147.08008	3.9
147.11655	14.9
147.12721	1.6
148.11990	1.0
149.09618	6.1
149.13202	7.7
151.11154	1.6
157.10107	10.7
159.11623	8.9
161.09636	1.3
161.13269	4.5
163.11137	3.9
163.14821	4.6
165.12750	2.1
171.11627	2.5
173.12013	1.0
173.13248	5.7
175.11122	8.1
175.14806	2.8
177.16295	1.6
179.14236	1.8
182.18761	1.0
183.11581	1.4
187.14854	2.7
189.11168	3.1
191.10864	1.0
193.12224	24.3
199.14746	1.4
201.12746	1.5
201.16292	1.7
207.13658	1.4
211.13219	1.8
223.13078	1.0
227.12726	4.3
235.13220	2.7
235.16838	0.9
243.21037	5.4
249.14867	2.0
259.13162	1.7
261.22095	22.8
262.22327	1.3
267.15866	100.0
268.16208	5.0
273.14935	1.4
279.23212	2.4
281.17398	1.1
301.14426	2.2
301.25128	5.6
309.16846	3.5
317.24722	5.5
318.45343	1.0
335.25751	97.8
336.26135	6.2
341.30481	0.9
421.25882	1.8
425.34824	1.1
435.27051	1.7
435.32489	3.6
453.33453	6.7
471.34668	3.7
509.35492	1.4
527.37256	52.0
528.37738	4.5
544.40692	1.4
545.38257	29.2
546.38538	3.1
569.38757	4.8
570.38507	1.7
595.47144	13.3
596.47375	1.9
653.40442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71381	0.5
53.38410	0.5
55.01868	2.5
55.05505	11.3
57.03434	12.8
58.77559	0.4
59.04997	0.6
61.02916	1.1
65.03932	1.0
67.05497	17.5
69.03425	4.2
69.07063	4.6
71.04980	3.6
71.34008	1.0
79.05486	18.7
80.94215	0.5
81.03409	82.4
81.07047	17.2
82.03755	1.0
82.07382	0.5
83.04974	8.7
83.08611	21.3
84.08941	0.5
85.02896	11.1
85.06535	1.6
87.04459	0.5
91.05471	24.3
92.05844	0.8
93.07031	12.3
93.07572	1.0
95.04959	28.5
95.08598	7.7
96.05289	0.6
97.02882	2.9
97.06533	2.9
97.10143	4.9
99.08073	1.0
100.61142	0.6
101.79866	0.5
105.07021	17.4
105.07714	1.0
107.04945	8.1
107.08575	6.9
109.06501	4.6
109.10149	2.8
111.04443	2.3
111.08069	7.6
113.06017	1.0
115.05474	1.8
117.07032	2.5
118.77953	0.5
119.04938	1.2
119.08570	14.8
121.06507	4.3
121.10144	6.7
123.04421	0.9
123.08051	3.2
123.11719	0.8
125.06052	0.6
125.09628	4.8
126.96861	0.5
128.06203	0.5
129.06989	10.9
131.04944	1.0
131.08557	10.7
133.06468	4.6
133.10114	8.8
135.08037	1.3
135.11702	1.0
137.09601	1.7
141.06985	0.9
142.07761	3.1
143.08604	1.3
145.06448	3.8
145.10103	2.5
147.04390	0.8
147.08022	4.4
147.11670	11.4
149.09596	5.6
151.11163	0.8
153.09058	1.0
155.08551	1.1
157.06491	0.8
157.10117	12.4
159.08038	0.8
159.11684	0.8
161.05989	0.5
163.11182	1.4
165.12767	2.4
169.06453	0.7
169.10213	0.6
171.08067	1.2
171.11742	1.1
173.09552	0.6
175.11171	12.6
175.12627	0.7
184.19867	0.6
185.09630	1.0
185.13213	0.9
187.08484	0.7
187.11188	0.7
189.09253	0.5
189.11234	1.5
190.68483	0.5
193.12219	33.8
194.12537	1.0
195.11732	1.2
197.13292	0.9
205.12282	0.9
211.11218	0.9
211.13263	14.4
227.12633	1.0
229.14371	1.1
231.13876	0.6
233.15364	1.3
234.30656	0.6
237.12773	1.1
249.14908	2.0
255.13820	2.2
267.15887	100.0
268.16245	4.1
273.14810	4.1
274.15054	0.6
285.16959	14.8
301.14145	0.6
309.16965	0.6
321.21933	0.6
323.18372	0.7
339.23236	0.7
341.21301	1.9
349.21698	2.6
357.24225	0.8
367.22629	8.0
368.23169	0.9
385.23697	10.0
386.24008	1.0
391.07535	0.6
403.24661	2.9
405.24274	1.6
415.24503	1.6
433.25800	14.7
434.26114	1.5
441.26340	7.2
459.27383	78.7
460.27679	6.9
477.28436	46.4
478.28683	3.2
491.30292	0.6
501.28693	1.2
508.12009	0.6
509.31146	1.2
519.29456	1.7
604.32410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.82433	0.3
55.01847	1.5
55.05482	1.0
56.05011	0.8
57.03432	3.7
59.04977	0.5
59.27689	0.3
61.02898	1.0
69.03431	2.1
69.33852	0.3
70.06586	2.3
71.01326	0.6
71.04984	20.4
71.78629	0.5
71.79024	0.4
72.08124	0.8
72.43052	0.4
73.02879	0.6
73.33905	0.4
75.04439	1.2
79.05469	0.6
80.05014	0.6
81.03387	1.7
81.05762	1.7
82.06551	0.4
83.04963	3.9
84.08138	2.7
85.02893	26.7
86.06028	1.5
86.09644	0.4
87.04436	1.3
94.06570	0.6
95.04937	0.8
96.08111	5.7
97.02845	1.5
98.06011	0.4
99.04427	0.8
107.04947	3.0
109.02857	0.8
111.04426	1.2
112.07581	1.0
114.09155	16.5
116.07055	0.4
119.04939	0.4
121.02853	4.0
123.04409	0.7
127.03872	1.3
129.05472	2.6
130.08588	1.0
131.04904	0.4
135.04370	0.4
137.02333	6.9
137.03365	0.8
139.03893	0.8
145.02837	0.7
147.04349	1.1
147.06488	0.6
149.05925	0.8
151.03871	0.7
152.06999	0.5
160.09718	0.5
163.03867	1.7
165.01765	0.5
166.21573	0.4
167.06999	0.8
170.08049	0.5
173.05951	0.8
175.03889	0.9
177.05423	1.3
179.03387	0.7
183.02873	0.8
183.07906	0.4
187.03838	0.6
187.42355	0.4
191.03369	1.0
197.51216	0.3
201.05424	0.7
203.03368	0.5
216.56686	0.4
217.04910	1.1
219.02789	0.6
224.07994	0.4
239.06973	0.5
253.08604	0.7
257.07880	0.7
259.05966	0.4
259.24179	0.4
261.03906	0.7
265.08554	0.5
271.05927	0.6
283.06195	0.5
285.03934	0.6
286.04745	0.4
287.05307	0.9
295.05826	0.7
297.07544	0.8
299.05530	4.9
299.08868	0.8
301.03339	0.5
302.01212	0.6
302.04095	2.7
303.04929	3.1
305.02905	1.0
309.07532	0.9
311.05655	0.5
311.08963	0.4
313.07025	3.7
315.04944	43.7
316.05295	1.6
316.11862	0.7
321.07556	0.8
323.05405	0.7
323.09116	0.5
324.06326	1.0
325.06985	4.7
326.04156	0.8
327.04962	1.3
327.08582	1.0
329.02979	0.4
329.06540	1.5
337.06766	0.9
339.04791	0.8
339.08612	5.0
341.06522	13.3
342.06970	0.5
343.07977	0.5
349.06979	1.2
352.05981	0.5
355.08051	9.7
357.09769	0.4
365.08820	0.4
367.08087	41.3
368.08395	1.6
369.09836	2.1
373.09106	0.8
380.11282	5.0
385.09207	6.5
398.12302	26.3
399.12341	1.3
414.12210	0.5
416.13361	100.0
417.13828	5.3
465.42801	0.4
527.20087	0.5
527.45380	0.4
544.16956	0.5
560.17322	1.7
562.18878	2.6
578.18634	31.1
579.18652	1.3
706.23474	2.0
724.24213	33.0
725.24695	1.6
753.27283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01867	2.2
55.05505	21.4
57.03428	9.5
57.07069	2.9
59.05004	1.0
61.02924	0.7
61.90412	0.4
64.56168	0.4
65.03935	3.3
66.85535	0.5
67.05497	75.4
68.05828	1.3
69.03419	8.2
69.07059	16.1
70.90827	0.9
70.91221	0.8
70.96274	0.5
71.04981	23.6
71.08641	0.6
73.02914	0.9
73.06536	0.8
77.03926	1.0
79.05483	38.7
80.05835	0.8
81.03409	24.4
81.07045	100.0
82.07368	0.9
83.04971	15.3
83.08158	0.7
83.08612	9.7
85.02895	4.0
85.06532	7.2
86.09689	2.1
91.05469	35.1
92.05777	0.6
93.07033	44.7
94.07381	0.6
95.04966	7.7
95.08595	37.0
96.08923	0.7
97.02873	5.9
97.06518	5.9
97.10163	3.3
99.04459	3.2
99.08070	1.5
103.03906	0.6
105.07019	22.6
106.07346	0.8
107.04919	2.2
107.08582	25.0
109.02853	3.6
109.06509	4.1
109.10146	16.4
111.04444	3.7
111.08072	2.4
113.09629	1.0
115.05447	0.8
117.07008	8.6
119.07723	0.8
119.08566	13.2
120.56905	0.5
121.06467	1.3
121.10136	17.5
123.04440	0.7
123.08078	2.9
123.11686	14.3
124.99976	1.2
125.09599	1.3
127.03929	3.2
127.07595	0.5
128.06163	0.6
129.05469	5.8
129.06958	3.1
131.08551	12.5
133.06441	1.0
133.10112	21.2
135.08031	1.6
135.10745	0.8
135.11681	11.3
136.12019	0.7
137.09583	1.7
137.13214	1.1
139.11197	0.9
141.06944	1.1
142.07770	0.9
143.08507	2.1
145.06471	0.8
145.10112	7.5
147.07967	1.1
147.11661	6.9
149.09538	1.0
149.13235	7.2
151.10042	0.5
151.11153	6.2
153.08957	0.6
153.12686	1.1
155.08479	1.9
157.06415	0.5
157.10095	3.2
159.08014	0.8
159.11685	8.8
161.09610	0.8
161.13234	4.1
163.11110	1.0
163.14748	1.4
165.12671	1.2
169.10048	1.7
169.12170	1.4
171.11609	2.2
173.03217	0.6
173.04456	8.2
173.09578	0.7
173.11827	0.8
173.13193	3.5
175.05942	0.6
175.11191	1.2
175.14761	1.1
177.12706	4.3
177.16316	0.6
179.14236	1.5
181.10031	0.8
183.11603	1.3
183.13734	2.8
184.07336	7.2
185.07623	1.1
185.13184	1.9
187.13199	6.2
187.14790	2.1
189.12677	0.5
193.12158	1.9
195.11868	0.6
195.13715	3.2
197.09534	0.6
197.13235	0.6
197.15211	0.6
199.10959	0.6
199.14752	1.1
201.12816	0.7
201.14740	1.8
201.16383	0.7
211.14792	1.1
213.12741	0.7
213.14703	0.9
225.14731	1.9
227.12598	0.9
227.16324	1.2
229.14113	0.6
233.15196	0.8
235.92249	0.5
241.17831	0.6
243.15895	3.8
243.21024	0.9
257.17319	1.4
259.20459	1.0
261.22156	4.3
267.15829	2.3
269.14819	0.6
269.17435	9.2
277.21530	0.7
283.18842	1.0
285.16907	0.9
285.21848	0.6
289.21387	0.6
289.39517	0.5
290.52750	0.5
293.20743	0.6
299.18396	0.8
301.20029	1.6
317.24521	0.8
327.23019	0.6
335.25766	31.9
336.25867	1.3
337.27237	0.7
339.17862	1.4
351.23016	1.0
359.25446	0.6
361.27023	0.7
363.24893	0.7
369.23779	1.7
387.25037	1.3
395.20569	0.9
405.26239	0.9
413.21771	2.3
427.23080	0.7
437.33932	1.0
443.27286	0.8
445.24225	6.4
461.28354	1.4
479.30023	0.7
485.35577	1.1
501.38971	0.6
503.37250	41.0
504.37610	3.2
505.32306	0.6
505.38815	6.3
511.37378	0.9
517.38873	5.0
527.36603	1.5
529.38806	13.3
530.38733	1.3
545.37488	1.5
561.41455	48.9
562.41730	4.4
611.38715	0.9
647.40314	1.4
655.40466	0.9
673.43182	4.7
691.43170	1.4
705.45648	10.3
706.45447	1.1
723.45728	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	723.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37654	0.6
53.00283	0.8
53.03945	4.2
55.01857	2.8
55.05503	20.7
57.03428	8.2
57.07062	3.1
59.04986	1.1
59.82044	0.7
65.03936	3.4
67.05495	75.6
68.05822	0.9
69.03422	11.3
69.07056	16.9
71.01354	0.8
71.04980	25.5
71.49588	1.7
71.76828	0.7
73.02924	1.4
73.06551	0.9
77.03925	0.9
79.05482	40.9
80.05784	0.7
81.03408	23.7
81.07044	100.0
82.07384	1.0
83.04971	17.6
83.08607	11.9
85.02885	4.3
85.06532	8.3
86.09688	1.1
87.04462	1.2
91.05465	39.1
93.07030	44.9
95.04946	10.3
95.08595	35.2
97.02879	5.1
97.06506	8.2
97.10159	4.1
99.04453	3.0
99.08082	2.3
101.05996	0.9
105.07014	25.5
107.04960	2.9
107.08579	27.0
109.02850	3.9
109.06510	4.7
109.10140	20.9
111.04423	4.2
111.08073	3.6
113.06040	0.8
113.09679	0.7
115.05422	1.5
117.06995	10.0
119.08570	14.8
121.06482	2.6
121.10133	19.5
123.08062	1.9
123.11690	12.8
125.00031	0.6
125.05997	0.6
125.09621	2.6
127.03895	2.4
127.07558	1.2
128.06194	1.3
129.05475	7.3
129.06929	3.7
131.04959	0.7
131.08557	16.0
133.06476	1.1
133.10109	22.7
135.04416	0.8
135.08044	2.7
135.11667	13.0
135.12607	0.9
137.05977	1.2
137.09596	1.6
137.13257	1.8
139.07509	0.8
139.11195	1.3
141.06993	0.9
142.07809	1.0
143.08569	3.9
143.91766	0.7
145.06493	1.8
145.10097	8.6
147.08061	1.9
147.11655	9.3
149.09625	2.1
149.13231	7.9
151.11160	6.5
153.12691	1.5
155.08554	2.3
157.10071	4.4
159.08064	1.3
159.11671	12.4
161.09668	1.1
161.13205	4.1
163.11212	2.0
163.14760	1.3
165.12698	1.6
169.10159	1.8
169.12234	1.0
171.08084	0.9
171.11710	3.0
173.04440	6.2
173.09650	1.2
173.13206	4.9
175.11240	2.7
175.14774	0.9
177.12697	4.8
179.14282	1.2
183.11726	1.8
183.13803	2.3
184.07283	3.5
185.09595	1.1
185.13295	2.8
187.11421	1.3
187.13290	7.0
187.14836	2.7
191.10641	0.8
193.12201	1.0
195.11755	1.3
195.13811	3.3
197.13269	2.0
199.14819	1.5
201.12936	1.0
201.14896	2.4
201.16486	0.9
204.90120	0.6
209.13304	0.7
211.13226	0.9
213.14732	0.8
215.14330	0.8
225.12935	0.8
225.14908	2.6
227.12680	1.0
227.16383	2.7
229.12267	1.2
229.14455	2.1
239.18063	0.8
241.17812	1.0
243.15768	4.8
243.21124	1.5
253.14238	3.4
253.18010	0.9
257.17575	2.8
259.20782	1.0
261.22189	3.9
267.15982	1.9
269.17441	9.2
273.18628	0.8
275.20145	0.9
285.16870	0.7
289.21658	0.7
291.19638	2.2
301.20206	2.8
315.23285	1.2
317.24866	0.8
319.22961	0.8
335.25751	18.2
339.17902	1.9
351.23239	2.4
361.27347	0.8
364.49765	0.8
369.24179	4.0
387.25339	2.0
393.31680	0.7
405.26315	0.7
411.32529	1.3
413.21869	2.3
425.27258	0.9
437.34070	1.8
443.28094	2.1
445.24292	7.6
461.29095	1.9
479.30002	1.6
485.36316	1.5
489.35165	0.8
501.39438	0.9
503.37265	34.2
504.37460	2.1
505.38733	13.4
511.38333	1.1
517.38831	4.0
527.37476	0.9
529.38855	15.0
530.39301	0.9
545.37823	0.9
561.41473	39.8
562.41772	1.8
637.40753	1.8
647.41931	1.3
655.42072	1.8
673.42853	6.7
691.43811	1.8
705.45679	7.1
723.44434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25074	0.9
53.03936	3.9
55.01881	2.1
55.05504	20.2
57.03422	8.1
57.07059	3.1
58.90106	1.0
59.04991	1.1
59.36486	0.9
64.54108	0.9
65.03924	3.4
65.04254	1.0
67.05495	74.7
67.35360	0.8
69.03415	11.3
69.07057	15.6
70.90205	1.9
71.01320	1.2
71.04983	22.3
71.08620	1.4
73.06522	1.0
79.05482	39.6
81.03409	22.6
81.07046	100.0
83.04969	15.8
83.08609	9.8
85.02886	3.6
85.06526	8.4
87.04477	1.2
91.05468	35.5
93.07030	43.0
95.04952	8.6
95.08597	31.7
97.02893	3.8
97.06506	8.1
97.10153	3.8
99.04462	2.7
99.08054	2.5
105.07006	22.0
107.04924	2.4
107.08577	27.5
109.02880	2.5
109.06520	4.3
109.10146	16.1
111.04413	5.4
111.08070	2.6
113.09627	1.1
115.05423	1.4
117.07001	11.2
119.08559	15.3
121.06492	2.3
121.10128	19.2
123.08060	2.7
123.11694	14.0
125.09631	2.1
127.03851	2.9
129.05447	5.6
129.07004	4.6
131.08542	13.2
132.58412	1.1
133.06491	1.5
133.10114	21.5
135.04384	1.4
135.08041	3.5
135.11678	13.6
137.09589	1.4
137.13219	1.2
139.11156	1.7
141.06992	1.2
143.08546	4.3
145.06465	1.4
145.10109	9.1
147.08051	1.1
147.11691	8.7
149.09602	1.9
149.13226	11.2
151.11128	6.2
153.12756	1.5
155.08568	2.5
157.10075	4.0
159.11670	12.2
160.09560	1.2
161.09610	1.2
161.13258	4.4
163.11163	1.2
163.14835	1.0
165.12758	2.1
167.08443	1.8
169.10120	1.6
169.12206	1.4
171.08109	1.1
171.11664	4.0
173.04498	5.9
173.09514	1.1
173.13309	5.2
175.11079	1.9
175.14828	1.8
177.12775	6.6
179.14366	1.8
181.10237	1.5
183.11667	1.5
183.13794	3.8
184.07358	1.9
185.13254	2.3
187.11256	1.3
187.13268	6.5
187.14740	1.7
189.12680	1.4
189.16467	1.1
193.12283	1.1
195.13748	4.3
197.13242	2.0
199.14900	1.8
201.12950	1.5
201.14836	3.4
211.14838	1.4
213.14703	1.1
221.13214	0.9
225.14815	1.7
227.16431	3.7
233.15359	1.0
241.17918	1.7
243.13933	1.0
243.15913	5.9
251.16379	1.6
257.17459	2.8
261.22125	4.2
267.15778	1.3
269.17477	11.2
271.20544	0.9
275.20181	1.2
277.21689	1.8
279.23300	1.3
289.21402	1.1
301.21234	1.4
317.24911	1.4
335.25787	19.0
339.18030	2.1
341.24377	1.0
351.23111	2.3
359.25363	1.2
363.25369	1.2
369.24234	3.4
387.25262	2.8
413.21609	1.9
425.27853	1.1
443.28073	2.0
445.24246	8.4
461.29019	3.4
479.29556	1.3
485.36267	1.6
503.37308	35.1
504.37708	1.9
505.38828	12.2
517.38684	2.8
529.38806	18.1
543.40356	1.3
561.41461	43.4
562.41632	2.3
611.38391	1.5
611.47003	1.6
629.39868	1.4
637.40387	1.8
646.06604	1.2
647.41626	2.6
655.41467	2.0
673.42920	10.6
674.42584	1.4
691.44031	1.3
705.45673	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	722.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52700	0.4
53.03927	1.4
55.01860	3.7
55.05501	9.4
57.03423	7.6
57.07067	0.7
59.04975	1.0
60.64879	0.4
61.02899	1.0
65.03906	0.6
67.05489	13.2
69.03414	2.0
69.07060	3.1
70.84496	0.4
71.01348	1.0
71.04974	3.3
71.79594	0.8
73.02898	0.6
79.05479	13.2
81.03401	33.0
81.07040	14.6
81.07524	0.6
82.03732	0.5
83.01324	2.5
83.04967	6.6
83.08603	11.5
85.02898	3.5
85.06501	1.0
87.04436	0.4
91.03945	0.5
91.05460	13.3
93.07024	13.4
95.04951	12.1
95.08588	6.4
97.02852	2.6
97.06510	3.1
97.10144	5.9
99.04437	1.6
99.08060	0.8
103.05428	0.5
105.07010	10.0
107.04948	7.1
107.08570	8.8
109.02859	1.4
109.06506	3.8
109.10134	4.7
111.04429	2.5
111.08081	3.4
113.05946	0.6
115.05432	0.9
117.06999	4.2
119.04921	0.9
119.08569	8.2
121.06509	3.4
121.10114	6.4
123.04389	1.2
123.08052	4.0
123.11698	0.6
125.05958	1.0
125.09628	4.2
127.03868	0.8
128.06223	0.4
129.06993	3.9
131.04880	0.9
131.08536	5.9
133.06493	2.5
133.10095	4.0
134.29057	0.4
135.04326	0.5
135.08032	1.8
135.11668	5.5
137.05949	1.1
137.09552	0.7
141.06949	0.5
142.07753	0.7
143.08546	1.4
145.06476	1.7
145.10094	7.3
147.04407	1.3
147.08017	2.7
147.11644	3.5
149.05920	0.7
149.09575	3.1
149.13261	0.4
151.07466	0.6
151.11195	0.6
153.09082	0.7
153.12744	1.5
155.08522	1.8
157.06464	0.6
157.10071	4.4
159.07993	0.7
159.11700	1.1
161.05934	2.4
161.09636	0.8
161.13197	0.5
163.07484	0.5
163.11142	10.0
165.12740	1.1
167.08490	0.5
169.10083	1.0
171.06616	0.5
171.08032	0.8
171.11647	0.6
173.05907	0.5
173.09573	2.5
173.11765	0.7
173.13295	0.6
175.07628	0.6
175.11110	3.7
177.12704	0.6
181.10257	0.4
181.12227	1.7
185.13248	0.7
187.11113	0.7
189.09100	1.1
189.11130	1.5
189.12701	0.6
191.10576	2.0
193.12195	8.7
197.09660	0.5
205.12195	1.5
209.11635	2.7
211.11290	0.6
211.13150	2.2
213.12759	0.9
227.12717	2.8
231.13802	1.5
243.13785	0.6
249.14894	0.9
257.15381	0.7
267.15857	21.9
271.13248	0.9
273.14670	1.1
281.17450	0.7
283.12210	0.8
283.15341	16.1
285.17087	0.7
289.14291	2.4
337.21552	0.6
355.22559	1.4
365.21094	2.7
383.22073	13.0
383.26736	0.9
384.22250	0.5
401.23080	5.2
403.22379	0.5
407.24536	0.8
419.24106	1.5
431.24200	1.0
439.24768	0.9
454.33719	0.5
457.25766	23.3
458.26199	0.8
461.28903	3.5
475.26837	100.0
476.27246	2.3
489.28491	1.3
493.27869	12.2
507.29538	1.5
517.27911	1.2
525.30463	1.2
542.35889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35862	0.4
51.02361	0.5
53.00217	0.4
53.03913	1.7
55.01867	2.7
55.05500	7.1
57.03423	7.7
57.07037	0.5
65.03922	1.0
67.05493	12.7
69.03424	2.2
69.07056	4.5
71.04979	3.4
71.79344	0.4
73.02879	0.6
77.03911	0.4
79.05480	16.2
80.59560	0.4
81.03405	42.8
81.07045	14.2
82.03703	0.6
82.65875	0.4
83.04966	4.3
83.08607	13.7
84.08072	0.4
85.02883	2.2
85.06501	1.1
86.09640	0.5
90.88168	0.4
91.04916	0.6
91.05463	11.3
93.07029	20.4
95.04955	15.4
95.08593	18.7
97.02879	3.2
97.06509	2.9
97.10120	1.7
99.04450	2.9
103.05428	0.5
103.43772	0.4
105.07014	9.8
107.04330	0.5
107.04947	7.3
107.08574	15.4
109.02838	0.9
109.06495	3.0
109.10162	3.7
109.46210	0.4
111.04406	2.7
111.08060	4.5
113.05970	0.8
115.05387	0.9
117.07011	4.8
119.04921	0.9
119.08564	13.0
121.06496	4.7
121.10120	11.2
123.08015	1.5
123.11594	0.5
125.05940	2.0
125.09612	0.7
127.03819	0.5
129.06966	5.1
130.07741	0.9
131.05046	0.4
131.08536	4.6
133.06477	1.9
133.10118	4.9
135.08006	1.8
135.11673	31.3
137.06018	0.6
137.09584	1.0
139.07489	1.5
142.07733	1.4
143.08487	0.8
145.06403	0.6
145.10097	18.3
147.04283	0.6
147.08023	2.2
147.11659	5.1
149.09601	3.7
151.07494	0.6
153.12720	1.5
155.08502	0.8
157.10123	5.7
159.11684	0.7
163.11153	41.6
164.11497	0.5
165.12749	1.3
173.09589	1.2
175.11163	6.9
181.12201	8.1
185.13245	0.5
193.12215	14.6
205.12222	0.7
209.11667	1.4
211.13290	2.8
213.12729	0.7
214.18062	0.5
227.12740	44.9
228.13095	0.8
231.13744	0.4
241.14256	0.6
249.14845	1.5
267.15869	89.5
268.16229	1.4
275.20099	0.5
276.20197	0.5
283.15363	56.6
285.16974	0.7
383.22037	1.2
421.25497	0.5
453.80579	0.4
457.25821	1.5
461.28998	0.9
467.26480	0.5
475.26859	100.0
476.27295	2.3
493.27841	2.8
503.44592	0.5
507.29672	0.8
517.28040	1.3
525.30432	1.6
541.27423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.0
53.03938	4.2
55.01858	2.3
55.05503	17.6
57.03430	8.8
57.07054	2.1
58.59229	0.7
59.06107	0.8
60.27398	0.7
65.03918	2.3
67.05494	55.2
69.03436	1.5
69.07061	14.5
69.47261	8.6
71.04978	2.2
73.06512	0.8
79.05481	61.7
81.03403	7.3
81.07043	51.9
83.04971	9.7
83.08618	5.9
85.02911	1.1
85.06522	2.7
85.92212	0.7
89.32154	0.8
91.05466	42.1
92.05788	1.1
93.07029	64.5
94.07347	0.9
95.04951	14.9
95.08589	36.8
97.02866	0.8
97.06557	3.6
97.10133	3.9
98.21432	1.9
99.08084	1.1
105.04514	1.0
105.07014	31.3
107.04948	3.6
107.08575	22.6
107.09321	1.0
108.02125	0.8
109.06496	4.3
109.10136	10.4
111.08050	1.6
116.24271	0.8
117.07003	8.8
119.08557	22.4
121.06486	2.2
121.10127	12.8
123.08076	4.0
123.11663	3.1
127.03931	0.7
127.07546	1.2
129.06985	10.9
131.08551	5.4
133.06403	0.9
133.10100	11.2
135.07997	1.0
135.11662	6.2
143.08527	6.5
145.10115	9.8
147.08049	1.1
147.11664	27.5
149.09589	0.8
149.13232	3.4
151.11197	0.9
159.11678	3.5
161.09575	2.3
161.13231	8.4
163.14755	1.2
170.14301	0.8
171.11679	16.0
173.13257	2.9
184.07361	1.5
187.14783	1.2
189.12717	6.7
192.97307	0.8
207.13785	19.0
243.21107	2.2
259.20526	0.9
261.22128	5.9
275.20004	1.2
279.15906	2.8
281.17438	59.8
307.33597	0.8
317.24738	1.6
320.44135	0.8
332.40198	0.8
335.25739	52.2
336.26309	1.1
449.22369	1.7
475.21005	1.1
476.21484	3.3
477.21643	3.8
536.23834	2.2
537.23810	3.0
541.38818	100.0
542.39423	4.4
559.39923	1.4
563.25073	1.9
622.27222	1.4
623.27911	10.0
624.28363	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	721.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83077	1.0
51.02367	1.5
51.44495	0.9
53.03938	6.9
55.01861	9.4
55.05502	28.2
57.03192	1.4
57.03425	15.0
57.07062	5.0
59.04986	1.5
61.02900	4.0
65.03915	3.5
67.05495	83.7
68.05806	1.4
69.03078	1.3
69.03413	15.8
69.07058	28.3
71.01331	1.9
71.04983	28.5
71.08601	1.2
71.79635	1.4
73.02876	3.7
79.05479	57.0
81.03406	56.5
81.07043	100.0
82.07358	1.2
83.04967	16.2
83.08162	1.4
83.08609	17.7
85.02894	8.6
85.06534	11.0
87.04451	1.4
91.03905	3.5
91.05466	68.4
92.05725	0.9
93.07026	55.5
94.07339	1.3
95.01301	1.5
95.04398	1.3
95.04951	18.3
95.08588	40.4
96.08913	1.0
97.02880	16.2
97.05931	1.3
97.06516	17.4
97.10149	7.7
99.03851	1.0
99.04434	5.3
99.08028	2.9
101.02338	1.2
103.03890	1.5
103.05428	1.9
105.04473	1.1
105.07014	64.4
106.07319	1.9
107.04941	11.0
107.08575	36.4
108.08884	1.8
109.02850	6.9
109.06489	8.2
109.10143	27.3
110.10416	1.5
111.04420	6.2
111.08061	6.3
113.05965	2.1
115.05421	3.5
116.06175	1.0
117.07000	22.2
119.08562	46.7
121.06486	5.7
121.10117	24.0
123.04379	2.8
123.08064	5.3
123.11690	9.0
125.09565	3.3
127.03898	7.7
128.06158	4.5
129.05528	4.7
129.06970	14.1
131.08548	33.5
132.08894	1.2
133.06416	2.9
133.10107	42.0
133.11124	2.1
134.10420	1.4
135.08035	5.5
135.10727	1.4
135.11670	16.7
137.05986	1.5
137.09575	4.6
139.11171	2.1
141.06920	4.1
142.07759	2.2
143.08525	13.2
144.09209	1.1
145.06438	4.0
145.10100	27.5
146.10423	1.3
147.08080	5.1
147.11655	26.8
149.05948	1.2
149.09604	9.7
149.13225	10.8
151.03891	1.3
151.11147	7.1
153.12715	1.4
154.07680	1.4
155.08502	5.5
157.06464	1.3
157.10112	18.0
159.07990	3.2
159.11674	21.9
161.09576	3.1
161.13246	13.3
163.11197	5.5
163.14806	3.2
165.12691	3.6
167.08507	2.9
168.09293	1.2
169.10071	7.5
169.12250	1.4
171.08005	2.1
171.11662	13.4
173.03009	1.2
173.04433	16.8
173.09647	2.4
173.11703	2.5
173.13211	11.8
175.11163	5.7
175.14801	4.5
177.12682	4.3
179.08551	1.3
179.14229	2.3
181.10077	3.7
183.08089	1.4
183.11636	7.8
183.13234	1.0
183.13765	0.9
185.09653	1.2
185.13217	6.1
187.11255	2.5
187.13240	4.7
187.14832	4.2
189.11200	1.2
189.12720	2.6
191.14297	1.5
193.04953	1.2
193.10236	0.9
193.12184	5.7
193.99390	1.1
195.10023	1.1
195.11649	4.9
195.13731	3.8
197.09641	1.6
197.13176	6.7
199.11110	2.0
199.14764	4.6
201.12724	2.9
201.14671	1.4
201.16385	2.6
203.14339	1.7
207.11691	1.4
209.13211	3.6
211.11292	1.3
211.13103	2.5
211.14766	3.3
213.16351	2.6
219.13660	1.6
221.13182	1.0
223.14850	2.5
225.14641	1.9
227.12686	2.9
227.16339	2.6
229.14215	2.9
229.19350	2.4
231.20790	1.0
233.15298	1.4
237.16286	1.7
239.14201	1.2
239.17973	2.3
241.19606	6.9
243.08377	1.6
243.15753	5.5
243.21071	1.9
249.14699	1.9
253.14131	1.6
257.17078	2.8
257.19016	4.4
259.20709	13.6
261.22040	5.4
263.20056	1.1
267.15854	23.4
269.17398	5.2
271.20538	2.1
273.18405	3.3
275.17090	1.7
275.20038	26.6
276.20352	1.8
283.15265	1.2
283.20663	1.4
285.16983	1.9
285.22037	2.1
291.19366	4.9
295.20499	1.2
297.22223	1.2
299.18628	1.1
301.19998	2.5
311.23462	1.1
315.23074	4.2
317.24661	3.6
333.24316	10.6
335.25635	4.0
339.17880	1.8
349.23901	10.8
367.22568	2.9
385.23914	1.8
393.31467	2.0
409.30634	2.4
411.20120	1.5
411.32507	3.0
413.17117	5.2
413.21866	2.8
429.20627	2.0
435.32376	2.4
441.26279	1.4
445.24380	3.1
459.26773	1.4
467.31024	1.2
477.28799	1.5
483.34338	1.8
485.35938	3.4
501.35715	25.4
503.37238	57.5
504.37427	2.0
525.35565	1.3
527.37268	19.5
529.38800	1.5
533.37872	3.7
535.39941	1.5
541.35156	37.1
542.35309	4.2
543.35791	1.2
545.37701	2.0
549.26624	2.8
559.35809	6.8
583.36127	1.7
609.36908	1.2
635.39496	2.2
642.79187	1.0
653.40460	2.5
667.41162	3.9
671.41571	5.3
685.41492	3.3
689.42651	7.9
703.42474	8.3
721.37207	52.8
721.57684	2.3
722.37811	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	721.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03932	5.4
54.16600	1.1
54.86604	1.1
55.01875	5.2
55.05500	28.0
57.03428	14.1
57.07056	3.9
58.76625	1.0
59.04986	2.2
61.02915	5.0
65.03928	3.6
67.05493	83.0
67.35679	0.9
68.05813	1.2
69.03418	19.4
69.07058	23.8
71.01337	1.6
71.04980	30.8
71.08606	1.4
71.79297	1.6
73.02887	3.0
73.06527	1.6
77.00768	0.9
79.05479	56.7
80.23753	0.9
81.03403	41.1
81.07041	100.0
82.07372	1.5
83.04964	14.5
83.08607	16.1
85.02889	9.6
85.06528	10.4
87.04449	1.0
91.03947	3.0
91.05464	63.4
91.26767	1.1
93.07027	55.4
95.01305	1.1
95.04950	14.8
95.05495	1.4
95.07982	2.0
95.08591	40.7
97.02868	12.3
97.06516	11.3
97.10139	6.9
98.22867	1.0
99.04465	5.2
99.08075	3.2
103.05444	1.6
105.04448	1.0
105.07012	47.7
107.04932	7.9
107.08572	38.6
109.02853	8.1
109.05853	1.1
109.06470	7.0
109.10136	21.1
111.04400	4.9
111.08095	6.7
113.06046	0.9
113.09612	1.1
115.05446	2.6
117.06996	22.9
119.08565	36.3
121.06506	4.8
121.10125	24.1
123.04400	1.5
123.08051	3.7
123.11679	13.5
123.94769	1.0
125.05939	1.4
125.09602	3.4
127.03913	4.9
127.07491	1.4
128.06168	5.0
129.05467	4.5
129.06989	17.1
131.04924	1.8
131.08540	33.4
133.06447	3.8
133.10103	35.7
133.11113	2.1
135.08060	5.0
135.11673	19.6
137.05956	1.1
137.09584	4.3
137.13268	1.6
139.11166	3.9
141.06950	7.8
142.07735	3.8
143.08554	16.9
144.09261	1.3
145.06470	4.3
145.10091	27.0
145.52399	1.1
146.10434	1.1
147.08028	3.0
147.11664	26.9
149.09604	6.2
149.13232	11.8
151.11148	6.8
153.06952	1.5
154.07733	1.7
155.08507	10.3
156.09270	1.2
157.06422	1.7
157.10097	16.9
159.08057	3.3
159.10355	1.8
159.11655	26.5
160.12042	1.5
161.09618	3.7
161.13232	11.9
163.11148	3.2
163.14812	2.5
165.06966	1.2
165.12721	3.3
167.08562	5.2
169.06503	1.0
169.10097	11.0
171.07991	2.9
171.11649	16.4
173.04427	14.6
173.09555	2.3
173.13206	13.8
175.11124	6.0
175.14830	5.3
177.12770	5.1
179.08554	2.2
181.10030	6.2
183.08052	1.6
183.11678	11.5
183.13486	1.5
185.09572	3.1
185.13223	11.1
187.11108	2.8
187.13245	6.8
187.14830	5.4
189.11212	2.2
189.12772	1.9
189.16327	1.6
193.10120	1.9
193.12198	4.3
195.11696	6.1
195.13640	2.0
197.09612	1.9
197.13240	6.5
199.11188	2.1
199.14838	6.1
201.12845	1.6
201.14708	1.4
203.12701	1.2
205.10098	1.4
207.11757	2.7
207.13771	1.0
209.09688	2.0
209.13234	4.1
210.78625	0.9
211.11272	1.8
211.13008	1.5
211.14809	4.1
211.80263	1.0
213.12874	2.0
213.16389	2.7
219.11729	2.2
221.13286	2.4
221.15329	1.1
223.14810	3.8
225.12775	2.2
225.14775	2.9
227.16394	3.5
229.14169	2.3
231.21056	1.4
233.13252	1.2
235.14726	1.6
235.16843	1.2
237.16304	1.7
239.14185	1.4
239.17995	2.1
241.19640	6.6
243.15878	7.0
243.20973	2.3
245.19133	1.2
253.19366	1.7
255.17375	1.7
257.17163	2.5
257.19379	2.0
259.20685	13.4
261.22061	5.9
263.20120	1.4
267.15942	4.1
267.21292	1.1
269.17239	6.1
271.20517	3.7
273.18515	3.9
275.20096	5.0
277.21698	1.3
283.20584	2.0
285.16895	1.1
285.21948	2.4
287.20053	1.8
289.21671	1.9
291.19440	2.4
295.20425	1.5
297.22205	2.4
299.18881	1.7
301.20258	3.6
313.21512	2.9
315.23209	3.7
317.21219	1.0
317.24710	2.4
321.21835	1.3
325.21606	1.1
327.23071	1.9
333.24353	11.6
335.25797	4.0
337.21423	1.7
339.17944	1.2
339.23175	1.3
343.22433	1.5
349.21237	2.7
351.23138	3.7
365.23395	1.2
367.22452	5.2
369.24057	2.4
380.73953	1.1
385.23584	2.8
393.31384	2.0
403.24411	1.3
409.30988	2.1
411.32251	2.1
413.21716	3.0
435.32178	4.5
441.26111	2.0
443.27692	1.5
445.24194	3.5
453.33676	1.9
459.27322	2.6
477.28024	1.5
483.34680	2.3
484.84549	1.3
485.36227	2.5
501.35696	26.6
502.36005	1.8
503.37216	43.5
504.37640	3.8
509.36060	4.3
513.35712	1.6
517.39069	1.2
527.37250	39.9
527.45227	1.9
528.37158	2.7
529.38525	1.3
533.38007	2.3
541.35132	6.5
543.36475	1.4
545.38373	2.5
559.38574	6.3
567.37036	1.9
593.37695	1.7
611.39117	1.4
623.38483	1.2
627.38055	1.6
635.39148	3.9
653.40546	6.2
667.42072	8.2
668.42462	1.3
671.41400	8.1
685.42694	5.9
689.42474	12.7
703.42926	7.8
704.42651	1.3
721.44385	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	721.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.3
55.01864	18.0
55.05265	3.2
55.05504	41.3
57.03433	19.0
57.07069	2.4
57.74433	1.8
61.02917	4.0
65.03932	4.8
67.05496	81.2
67.85122	1.6
69.03425	28.1
69.07058	33.9
69.48647	19.8
71.04983	13.2
73.02908	4.0
77.34904	1.7
79.05482	72.7
80.10625	1.6
81.03407	100.0
81.07047	72.4
81.07535	3.0
82.07396	1.8
83.04967	29.9
83.08613	29.2
85.02895	25.4
85.06512	4.6
85.53290	1.6
91.04906	4.2
91.05466	68.1
92.42677	2.0
93.07032	61.1
95.04958	47.0
95.08593	42.1
97.02882	25.1
97.06509	25.5
97.10151	19.1
98.21412	3.0
99.04437	6.4
99.08073	3.5
103.05443	3.8
105.07023	64.0
107.04953	26.6
107.08575	45.3
109.02876	14.9
109.06495	17.4
109.10144	29.7
111.04420	9.4
111.08049	14.4
115.05444	2.5
117.07007	25.5
119.08565	48.5
121.06479	12.4
121.10117	26.0
122.10469	2.0
123.04402	4.0
123.08085	11.2
123.11723	9.4
125.09618	15.9
127.03885	12.2
128.06172	4.0
129.05479	4.0
129.07004	20.7
131.04883	2.6
131.08539	37.4
131.09441	2.8
133.06473	7.9
133.10112	40.8
135.08064	12.7
135.11682	14.2
137.05951	2.1
137.09579	9.3
141.07002	5.2
142.07776	5.0
143.08554	12.2
145.06470	9.2
145.10106	28.3
147.08014	10.2
147.11647	33.7
149.05998	2.3
149.09583	25.7
149.13243	7.5
151.07594	2.1
151.11168	3.8
153.09108	4.8
153.12747	2.8
154.07768	2.1
155.08621	9.6
157.06471	3.5
157.10114	20.0
159.08072	5.2
159.11665	18.5
161.09641	6.9
161.13258	7.5
163.11110	16.7
165.09091	4.3
165.12729	6.8
169.10074	9.0
171.08064	3.6
171.11626	12.5
173.04453	12.2
173.09610	6.3
173.11824	4.4
173.13274	10.0
175.11145	11.8
177.12680	4.6
179.14326	2.3
181.10168	3.6
183.06512	2.2
183.11664	7.4
185.09543	3.8
185.13239	7.7
187.11183	7.1
189.11197	8.6
189.12772	4.1
191.10573	3.5
193.12221	30.9
195.11700	3.2
197.00809	2.2
197.13278	5.7
199.11238	2.2
199.14828	3.6
203.14194	1.9
205.10199	2.2
205.12119	2.5
209.13165	3.4
211.11331	2.4
211.13254	35.6
213.12849	2.7
219.13927	2.5
221.13223	2.2
223.13107	2.1
227.12703	17.8
229.14352	7.3
229.19527	3.9
239.18013	4.3
247.16891	2.8
247.20575	3.5
257.18948	13.2
267.15872	36.1
268.15741	2.0
269.17343	2.6
273.15094	1.9
273.18521	4.5
275.20032	81.1
283.15332	2.3
285.16876	14.9
291.19553	6.2
293.21103	7.5
297.21991	3.0
299.20193	4.4
301.14291	3.8
309.17160	1.9
313.21613	5.5
315.23032	2.7
317.21136	3.3
331.22705	4.0
341.20950	2.3
349.23724	50.3
355.17435	2.8
367.24969	3.5
373.23721	3.3
411.20206	4.2
419.24222	3.6
421.25711	3.7
421.30923	2.8
429.21066	14.8
431.29092	3.0
437.25549	3.6
447.27365	5.6
449.30243	4.8
461.28799	4.0
467.31506	4.1
501.32263	3.6
513.35876	3.2
523.33795	4.2
541.35229	77.6
542.35431	4.0
559.36218	56.8
560.36426	2.6
583.36035	4.9
601.37390	2.8
607.35358	2.5
629.36249	2.5
630.09631	2.2
667.37909	6.7
685.39282	7.5
703.40240	35.6
721.41351	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	721.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57173	1.6
53.03941	12.0
55.01867	17.3
55.05505	46.8
57.03429	18.3
57.07064	2.2
59.04979	1.9
61.02922	12.2
61.61691	1.5
62.33595	1.3
65.03940	2.8
67.05498	81.0
69.03425	22.1
69.07061	30.7
71.04972	12.9
71.79561	3.7
71.99618	1.6
73.02916	5.0
79.05486	69.6
81.03411	91.7
81.07049	79.9
83.04973	19.0
83.08611	33.5
85.02893	19.8
85.06541	5.2
85.73347	1.6
91.03950	4.6
91.05472	65.7
93.07037	68.7
95.01336	2.8
95.04386	3.1
95.04962	54.0
95.08603	43.2
97.02876	21.4
97.06520	19.0
97.10159	25.9
99.04437	5.6
99.08079	6.4
103.05480	3.0
105.07026	64.4
107.04948	22.7
107.08582	43.7
109.02895	10.7
109.06513	16.1
109.10143	30.8
111.04425	6.5
111.08076	11.9
113.06030	2.0
115.05442	5.5
117.07011	30.0
119.04948	3.9
119.08568	46.1
121.02908	2.4
121.06496	14.4
121.10130	24.6
123.04411	7.2
123.08055	11.0
123.11700	12.9
125.09612	24.2
127.03896	9.4
127.07616	1.8
128.06194	3.6
129.05484	4.1
129.06993	18.7
130.07802	2.7
131.04893	6.0
131.08551	38.9
133.05624	1.5
133.06491	10.4
133.10118	34.3
135.04442	1.9
135.08017	20.6
135.11682	12.4
137.06015	3.0
137.09612	7.8
137.13217	2.2
141.07008	5.7
142.07747	3.6
143.08549	14.4
144.09331	2.8
145.05031	1.9
145.06476	11.3
145.10115	37.0
147.04411	3.4
147.07983	9.8
147.11670	32.1
149.09608	14.9
149.13269	4.7
151.11191	5.6
153.09085	4.0
155.08572	7.2
157.06448	2.4
157.10123	18.2
159.08032	6.9
159.11673	19.7
160.83339	1.7
161.05954	2.8
161.09608	7.3
161.13255	6.6
163.11160	14.6
165.09171	3.5
165.12723	3.8
167.08540	3.6
168.09219	2.2
169.10114	8.4
171.08044	3.5
171.10226	3.2
171.11703	9.6
173.04442	20.3
173.09570	9.5
173.11784	3.3
173.13130	8.9
175.06148	2.2
175.11182	10.9
175.14911	2.6
176.40166	1.5
177.09119	1.8
177.12756	4.7
179.08603	2.4
179.14349	2.3
181.10100	4.2
181.12190	2.7
183.08035	1.8
183.11667	9.4
185.09601	2.9
185.13243	9.6
187.11208	6.7
187.13272	4.1
187.14815	2.1
189.05443	2.6
189.09756	1.6
189.11212	11.4
189.12779	4.6
191.10732	3.3
191.14227	1.7
193.10468	3.2
193.12228	20.0
195.11703	3.0
195.13710	2.1
197.13255	5.3
199.11136	2.7
199.14809	4.1
201.12634	3.4
203.10728	2.0
203.14340	2.4
205.12230	5.0
205.15802	1.5
207.11815	3.1
207.13838	3.4
209.13310	2.9
211.13226	14.7
217.15984	1.8
219.13721	4.1
221.13377	2.5
223.13287	2.6
227.12685	17.6
229.14108	11.2
233.15388	3.7
235.13232	4.0
239.17932	5.2
243.15897	2.9
245.15547	2.2
247.16963	5.5
247.20573	3.1
249.14835	1.9
257.18948	8.5
265.17917	2.7
267.15860	33.8
269.17432	5.6
273.14789	3.4
273.18500	3.2
275.20047	49.1
281.19162	2.3
285.17026	6.7
291.19659	3.2
293.21133	8.8
299.20032	10.5
301.14368	6.4
309.16882	2.8
313.21603	5.3
315.23288	3.8
317.21103	8.0
319.15558	2.0
321.20569	3.1
325.21680	3.6
329.21198	1.8
337.21570	2.4
349.23715	33.0
355.17429	2.3
355.22702	4.5
368.90631	2.0
373.23709	7.7
375.17780	2.1
393.18988	2.7
397.22397	3.0
403.24969	1.8
421.25723	2.3
424.27530	2.9
429.21097	3.9
431.29147	4.2
435.27368	4.9
437.25150	2.6
447.27426	7.3
449.30423	7.7
461.29059	7.8
467.31305	9.3
479.30185	2.5
485.32263	5.0
493.28064	2.0
501.31985	6.5
503.30997	1.7
522.38177	2.0
523.33990	4.8
531.36365	2.7
541.35236	100.0
542.35571	3.0
559.36230	65.3
577.37091	2.9
583.36359	8.2
587.32111	2.3
601.36945	3.0
605.33398	2.3
607.36664	2.4
623.33759	5.2
649.36340	3.0
667.38324	5.3
685.39337	4.9
703.40564	13.5
721.41180	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	721.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01876	11.3
55.05504	42.8
56.39120	1.4
57.03427	16.3
57.07069	3.7
59.04988	2.3
61.02910	2.6
65.03928	5.1
67.05497	81.8
69.03082	2.5
69.03423	30.4
69.07057	35.3
71.01338	2.7
71.04989	11.2
71.79614	2.1
73.02894	2.9
79.05483	64.7
81.02921	3.0
81.03407	57.0
81.07043	100.0
83.01323	2.2
83.04968	25.4
83.08610	28.0
85.02893	15.8
85.06512	5.2
86.09691	2.8
87.96346	1.6
88.26712	1.3
89.94439	1.3
91.05468	56.1
93.07030	69.1
95.04952	27.0
95.08598	40.0
97.02889	22.8
97.06513	13.8
97.10162	24.0
99.04453	7.0
99.08090	4.7
103.05435	1.6
105.03366	1.9
105.04507	1.7
105.07017	47.4
107.04938	17.6
107.08572	44.8
108.24276	1.5
109.02868	15.1
109.06501	10.8
109.10145	24.4
110.24918	1.3
111.04428	10.2
111.08086	11.6
115.05461	4.8
117.07011	21.9
119.04935	2.4
119.08572	32.2
121.06509	8.5
121.10134	23.7
123.04389	3.2
123.08067	9.3
123.11671	7.4
125.00010	1.7
125.09608	18.9
127.03878	12.8
128.06169	2.7
129.05466	6.0
129.06979	13.3
130.07790	1.6
131.04909	3.2
131.08556	27.0
133.06479	10.6
133.10109	29.6
135.08047	12.6
135.11673	13.4
137.06021	2.3
137.09605	6.0
139.07565	3.4
139.11165	1.6
141.06987	5.7
142.07776	4.0
143.08557	11.2
145.06494	5.9
145.10103	21.2
147.08058	10.1
147.11668	15.7
148.23500	1.4
149.05940	2.1
149.09621	8.3
149.13257	15.1
151.07571	1.7
151.11157	8.9
153.07034	1.4
153.09164	3.1
155.08481	7.3
157.06424	2.1
157.10101	12.6
159.08037	5.0
159.11671	16.9
161.05920	1.7
161.09587	6.6
161.13205	3.5
163.11168	6.4
165.09061	3.1
165.12724	4.4
167.08598	2.6
169.10118	4.8
169.12193	2.0
171.07996	2.8
171.10323	2.3
171.11607	8.6
173.04474	8.5
173.09616	4.0
173.11816	2.4
173.13243	3.4
175.11148	8.0
177.09122	3.1
177.12732	10.0
179.08627	1.7
179.10699	1.6
179.14383	1.6
181.10107	3.2
183.11681	6.1
184.07329	3.6
185.09601	2.8
185.13193	4.3
187.11180	4.3
187.13225	2.5
187.14793	2.7
189.09500	2.4
189.11211	10.0
189.12656	2.6
191.10663	3.3
191.14250	1.8
193.12172	8.3
195.11852	2.3
195.13800	8.7
197.13234	3.7
199.11188	3.3
199.14793	2.8
201.12802	2.8
205.12192	2.7
211.11375	1.6
211.13272	5.0
213.12743	2.0
213.16528	1.8
219.11638	1.9
223.13179	9.8
227.12737	13.9
227.17912	2.1
229.12201	1.5
245.18996	4.0
249.14900	3.1
253.14351	9.5
255.17609	1.6
257.15488	2.2
257.18945	2.1
261.14886	2.0
263.20105	2.7
267.15909	6.5
269.17395	20.0
273.18484	23.5
275.20035	6.6
285.17175	2.1
291.19510	77.4
293.17386	2.5
309.20703	2.8
315.23126	3.6
317.21161	2.2
321.17020	2.7
329.21368	2.0
339.17889	4.4
347.22177	10.1
349.23914	3.0
355.22571	1.8
364.69476	1.7
365.23175	38.7
377.19556	2.5
395.20529	3.6
399.21524	2.0
413.21609	19.9
431.28784	2.7
435.23761	2.4
447.27444	3.4
449.30109	3.7
461.28897	2.3
465.28793	2.4
467.31732	3.2
485.32620	3.4
509.27112	1.6
523.34015	4.7
531.36792	2.7
541.35162	30.3
559.36261	87.3
560.36633	2.1
591.31458	2.7
609.32410	7.9
623.34302	4.0
667.37860	2.9
685.38763	6.3
703.40381	43.3
721.40808	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	721.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01876	11.3
55.05504	42.8
56.39120	1.4
57.03427	16.3
57.07069	3.7
59.04988	2.3
61.02910	2.6
65.03928	5.1
67.05497	81.8
69.03082	2.5
69.03423	30.4
69.07057	35.3
71.01338	2.7
71.04989	11.2
71.79614	2.1
73.02894	2.9
79.05483	64.7
81.02921	3.0
81.03407	57.0
81.07043	100.0
83.01323	2.2
83.04968	25.4
83.08610	28.0
85.02893	15.8
85.06512	5.2
86.09691	2.8
87.96346	1.6
88.26712	1.3
89.94439	1.3
91.05468	56.1
93.07030	69.1
95.04952	27.0
95.08598	40.0
97.02889	22.8
97.06513	13.8
97.10162	24.0
99.04453	7.0
99.08090	4.7
103.05435	1.6
105.03366	1.9
105.04507	1.7
105.07017	47.4
107.04938	17.6
107.08572	44.8
108.24276	1.5
109.02868	15.1
109.06501	10.8
109.10145	24.4
110.24918	1.3
111.04428	10.2
111.08086	11.6
115.05461	4.8
117.07011	21.9
119.04935	2.4
119.08572	32.2
121.06509	8.5
121.10134	23.7
123.04389	3.2
123.08067	9.3
123.11671	7.4
125.00010	1.7
125.09608	18.9
127.03878	12.8
128.06169	2.7
129.05466	6.0
129.06979	13.3
130.07790	1.6
131.04909	3.2
131.08556	27.0
133.06479	10.6
133.10109	29.6
135.08047	12.6
135.11673	13.4
137.06021	2.3
137.09605	6.0
139.07565	3.4
139.11165	1.6
141.06987	5.7
142.07776	4.0
143.08557	11.2
145.06494	5.9
145.10103	21.2
147.08058	10.1
147.11668	15.7
148.23500	1.4
149.05940	2.1
149.09621	8.3
149.13257	15.1
151.07571	1.7
151.11157	8.9
153.07034	1.4
153.09164	3.1
155.08481	7.3
157.06424	2.1
157.10101	12.6
159.08037	5.0
159.11671	16.9
161.05920	1.7
161.09587	6.6
161.13205	3.5
163.11168	6.4
165.09061	3.1
165.12724	4.4
167.08598	2.6
169.10118	4.8
169.12193	2.0
171.07996	2.8
171.10323	2.3
171.11607	8.6
173.04474	8.5
173.09616	4.0
173.11816	2.4
173.13243	3.4
175.11148	8.0
177.09122	3.1
177.12732	10.0
179.08627	1.7
179.10699	1.6
179.14383	1.6
181.10107	3.2
183.11681	6.1
184.07329	3.6
185.09601	2.8
185.13193	4.3
187.11180	4.3
187.13225	2.5
187.14793	2.7
189.09500	2.4
189.11211	10.0
189.12656	2.6
191.10663	3.3
191.14250	1.8
193.12172	8.3
195.11852	2.3
195.13800	8.7
197.13234	3.7
199.11188	3.3
199.14793	2.8
201.12802	2.8
205.12192	2.7
211.11375	1.6
211.13272	5.0
213.12743	2.0
213.16528	1.8
219.11638	1.9
223.13179	9.8
227.12737	13.9
227.17912	2.1
229.12201	1.5
245.18996	4.0
249.14900	3.1
253.14351	9.5
255.17609	1.6
257.15488	2.2
257.18945	2.1
261.14886	2.0
263.20105	2.7
267.15909	6.5
269.17395	20.0
273.18484	23.5
275.20035	6.6
285.17175	2.1
291.19510	77.4
293.17386	2.5
309.20703	2.8
315.23126	3.6
317.21161	2.2
321.17020	2.7
329.21368	2.0
339.17889	4.4
347.22177	10.1
349.23914	3.0
355.22571	1.8
364.69476	1.7
365.23175	38.7
377.19556	2.5
395.20529	3.6
399.21524	2.0
413.21609	19.9
431.28784	2.7
435.23761	2.4
447.27444	3.4
449.30109	3.7
461.28897	2.3
465.28793	2.4
467.31732	3.2
485.32620	3.4
509.27112	1.6
523.34015	4.7
531.36792	2.7
541.35162	30.3
559.36261	87.3
560.36633	2.1
591.31458	2.7
609.32410	7.9
623.34302	4.0
667.37860	2.9
685.38763	6.3
703.40381	43.3
721.40808	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	720.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.4
51.55496	0.3
53.03937	1.6
55.01865	1.7
55.05264	0.4
55.05505	5.5
57.03428	4.8
59.04975	0.4
61.02933	0.4
61.58175	0.3
63.76474	0.4
65.03918	1.1
67.05494	15.1
69.03429	1.4
69.07063	4.2
70.73489	0.5
70.73869	0.7
71.04971	1.2
73.06557	0.9
77.03899	0.4
79.05479	22.9
81.03405	31.4
81.07042	14.1
81.48261	0.3
82.03732	0.3
82.07367	0.4
83.04971	5.0
83.08606	7.8
85.02883	1.1
85.06530	1.2
91.05463	19.0
93.07028	21.4
95.04950	14.1
95.08591	9.1
97.02865	1.6
97.06506	2.0
97.10146	2.2
99.08066	0.4
100.55006	0.3
103.05471	0.3
105.03382	0.4
105.07010	15.6
106.07317	0.4
107.04938	3.6
107.08570	7.0
109.06497	2.9
109.10124	2.2
111.04442	0.7
111.08070	2.5
115.05455	0.4
117.07029	2.6
119.04922	0.7
119.08564	11.2
121.06469	2.2
121.10123	3.4
123.08032	2.7
125.09615	0.5
127.07516	0.5
128.06169	0.5
129.06985	8.3
131.08539	4.5
133.06490	1.3
133.10101	4.9
135.08069	0.7
135.11687	1.0
137.09602	1.0
141.06960	0.3
142.07773	1.1
143.08540	2.6
145.10106	4.5
147.08022	2.0
147.11652	15.1
149.09641	2.0
156.09319	0.7
157.10097	4.1
159.11653	0.8
161.09644	1.5
161.13263	4.1
163.11186	0.9
165.12733	0.9
171.11661	8.8
175.11159	3.5
189.11159	0.5
189.12712	3.2
193.12207	8.6
207.13763	8.6
211.13387	0.7
217.10754	0.3
218.62170	0.3
225.14896	0.3
243.68350	0.3
249.14838	1.2
267.15872	31.8
268.16248	1.1
275.19974	0.7
281.17432	33.5
282.17856	1.0
335.12866	0.3
421.25711	0.8
447.27249	0.5
455.28046	0.7
473.28928	100.0
474.29221	6.4
491.29990	2.2
497.61215	0.4
510.86792	0.3
515.29730	1.6
541.35406	0.8
559.35779	0.6
575.31793	0.3
581.30688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	1.0
53.03715	0.8
53.03936	6.8
55.01865	12.7
55.05501	37.8
56.05818	1.0
57.03429	17.3
57.07047	2.7
58.03737	1.0
59.04956	3.7
59.05209	0.8
61.02890	4.1
61.18297	0.8
65.03908	4.1
67.05493	100.0
68.05826	8.5
69.03419	24.3
69.07059	25.5
69.80288	5.7
69.80702	1.6
70.06577	1.2
71.01321	2.9
71.04611	1.2
71.04979	17.7
71.08619	0.9
73.02892	5.6
74.31383	1.0
79.05481	48.2
80.05800	2.4
81.03407	61.5
81.07042	62.4
82.07365	5.3
83.04516	1.2
83.04968	20.4
83.08178	1.3
83.08608	21.1
84.08925	1.2
85.02892	26.5
85.06540	4.6
87.04447	1.0
91.03905	2.2
91.05466	43.7
92.05767	3.5
93.07032	45.7
94.07335	2.9
95.01307	1.1
95.04388	1.4
95.04948	24.1
95.08598	30.7
96.08908	2.9
97.02311	1.5
97.02874	17.4
97.06518	12.2
97.10151	17.1
98.10506	0.8
99.04446	5.0
99.08035	2.0
103.05418	2.8
105.04497	1.9
105.06329	1.9
105.07015	35.5
106.07320	2.7
107.04947	14.0
107.08575	38.0
108.08892	2.6
109.02865	13.9
109.06515	9.4
109.10138	75.6
110.10472	9.7
111.04424	10.9
111.08052	9.8
113.05980	1.0
113.91209	0.9
115.03871	1.0
115.05393	2.9
117.06998	20.1
118.07255	1.5
119.04892	2.5
119.07730	1.9
119.08562	35.3
120.08862	3.0
121.05840	0.9
121.06485	9.7
121.10123	17.4
122.10417	1.4
123.04396	2.3
123.08052	7.7
123.11663	5.1
125.09608	14.8
127.03891	10.9
128.06172	3.2
128.61800	0.9
129.05487	4.5
129.06975	11.7
130.07681	1.1
131.04886	2.2
131.08545	22.7
132.08850	1.3
133.06447	5.3
133.09169	1.5
133.10112	20.9
134.10425	2.3
135.08012	8.1
135.11662	15.1
136.11949	1.2
137.05966	1.5
137.09618	6.6
139.07478	1.0
141.06909	3.0
142.07693	2.2
143.08534	9.1
145.06409	4.2
145.10112	22.2
146.10385	2.3
147.04306	1.6
147.08028	8.2
147.11662	12.4
148.12016	2.2
149.05898	1.8
149.09590	8.8
149.13229	6.3
150.09886	1.5
150.13422	1.3
151.07547	1.0
151.11130	2.6
152.11462	1.1
153.09068	2.2
153.12772	2.1
155.08479	3.5
155.10617	2.2
157.06375	1.3
157.09033	1.1
157.10118	12.7
159.07996	4.3
159.11670	11.7
160.11911	1.3
161.09566	4.6
161.13188	3.4
163.07501	1.1
163.11153	13.5
163.14787	2.1
165.09032	2.1
165.12692	2.9
167.08391	1.4
168.09200	1.0
169.10089	4.5
171.07947	2.8
171.10333	1.1
171.11624	5.1
173.04486	7.1
173.05806	1.7
173.09583	5.0
173.11667	11.9
173.13170	4.2
174.12065	2.4
175.11154	9.6
175.14755	2.2
177.12686	3.4
178.12991	1.0
179.08572	1.5
179.10509	1.2
179.14337	1.4
181.10071	3.1
181.12193	4.2
183.08037	1.2
183.11604	4.2
185.09514	3.4
185.13152	2.6
187.11073	3.1
187.14740	1.6
189.09572	1.5
189.11130	8.9
189.12688	1.6
191.10582	4.1
191.17876	3.7
193.12187	10.9
195.11710	1.8
195.13759	3.1
197.09587	1.4
197.13174	3.3
199.11148	1.6
201.12640	2.7
201.16306	1.3
203.14326	1.6
205.12148	2.2
207.11601	1.2
207.13591	1.5
209.11594	2.1
209.13348	1.4
211.11308	1.5
211.13234	16.1
213.12837	1.5
219.13675	2.7
221.13243	1.2
223.11154	1.7
223.13174	6.5
223.14964	0.9
227.10695	1.2
227.12717	16.4
229.14311	28.4
229.19328	1.3
230.14642	12.3
233.15303	1.1
239.17941	1.7
249.14819	1.5
253.19679	1.1
255.15889	3.1
256.16202	1.2
257.19003	4.6
258.19308	1.4
265.14261	1.0
267.15884	7.4
269.17371	8.0
270.17841	5.2
270.20309	1.0
273.15356	1.4
273.18448	10.4
275.17096	1.4
275.20047	19.9
276.20309	3.9
283.15372	7.0
285.16858	1.7
289.17944	1.1
291.19476	30.4
293.21060	2.1
301.14215	1.3
303.15945	1.2
313.21429	3.3
331.22580	1.3
337.16415	1.3
347.22302	4.9
349.23721	9.2
350.24008	5.6
355.17410	3.3
365.23361	5.3
367.24518	1.5
371.21747	1.5
383.21735	1.0
409.25720	4.8
410.26221	9.2
411.20035	2.9
423.27393	19.8
424.27679	37.0
427.19193	2.7
435.23422	2.2
441.37234	1.3
445.25620	1.5
463.27234	1.1
465.29703	2.5
473.25061	1.7
477.28290	1.9
483.30731	1.6
503.33035	3.2
504.33795	7.1
517.34393	0.9
521.33466	1.3
522.34949	2.7
529.35400	1.5
539.33606	9.9
557.34680	23.2
568.31982	1.9
573.41162	2.1
575.35364	5.2
621.32355	2.4
633.21143	1.0
665.35413	1.4
683.37341	2.0
701.38690	12.2
719.39221	35.2
720.39935	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	719.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01868	1.8
57.03430	2.5
58.06600	0.7
61.02922	0.7
67.05505	0.4
68.04675	0.6
68.05021	7.1
69.03419	2.1
69.05365	0.3
70.06585	100.0
71.01350	0.7
71.04975	1.0
71.06913	0.8
72.04505	0.9
73.02904	2.5
79.05473	0.5
80.05033	0.3
81.03422	1.1
83.04980	0.3
84.04505	0.3
84.08131	1.0
85.02897	4.0
86.06058	42.6
86.09695	20.0
87.04449	0.6
87.06421	0.3
89.03937	0.3
91.05482	0.7
94.06573	0.3
95.08598	0.3
96.04485	1.1
97.02888	2.1
98.06043	11.7
98.21453	0.6
100.07615	0.6
103.03957	0.5
105.07021	0.4
107.08600	0.3
108.04490	0.3
109.02882	0.9
109.10155	0.3
110.06024	0.3
112.07596	2.3
114.05523	2.8
114.09156	1.9
115.03929	1.5
115.09498	0.4
117.03381	0.5
121.06530	0.4
122.06019	1.5
123.04422	0.3
126.05498	5.4
127.03928	1.3
128.07065	2.9
128.10698	10.4
130.08629	1.6
132.10194	0.7
133.04948	1.4
133.10136	0.5
136.07623	0.4
137.05974	0.9
140.07028	0.5
142.04965	2.4
143.08209	0.4
145.02869	0.6
145.04932	0.3
146.08102	0.3
147.04448	0.5
150.05435	0.6
151.03926	0.7
152.07040	0.5
153.05420	0.3
157.04967	0.5
160.09694	0.3
163.03926	0.3
164.10738	0.7
166.05011	0.5
167.05475	0.4
167.07060	0.5
167.15456	0.8
168.06569	1.3
169.09731	1.3
175.03911	0.4
177.05460	1.5
181.13298	0.5
182.08211	0.4
182.11774	1.1
183.11319	0.5
183.14909	14.8
184.06129	0.4
186.07562	0.3
191.08205	0.6
195.15009	0.3
199.14384	2.5
200.12827	0.8
202.10704	0.3
207.06662	0.3
211.10913	1.4
211.14384	19.3
218.10239	0.5
218.13872	0.5
221.52856	0.3
225.15953	4.9
227.13905	0.9
229.11795	0.3
229.43727	0.4
235.71695	0.2
245.14941	49.1
246.15205	1.2
253.15443	3.4
260.14755	0.4
261.15988	0.6
279.17078	1.2
287.16095	1.8
289.15317	0.3
301.03214	0.4
307.16458	1.0
324.19281	0.8
341.17020	0.7
342.20206	22.7
343.20364	0.6
377.19135	10.3
384.21451	0.3
455.28616	35.9
456.29053	1.7
474.24359	6.2
475.24985	0.5
479.28604	0.4
497.29639	16.1
498.29959	0.9
509.23355	2.5
533.29486	1.5
551.30914	1.7
569.31873	0.6
587.32825	21.4
588.32880	1.2
606.28473	1.6
629.33856	5.5
630.33875	0.5
665.33496	0.5
701.35114	0.6
719.37311	4.4
742.16107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
57.03419	0.4
57.07058	1.2
67.05489	1.2
69.07065	0.5
71.08609	0.6
72.48936	0.3
76.41900	0.3
79.05475	1.1
79.30041	0.3
81.03395	0.3
81.07038	1.3
85.10184	0.4
89.95590	0.3
91.05440	0.6
93.07008	1.0
95.08598	1.9
97.10179	0.3
98.20641	0.6
98.47170	0.3
105.07008	0.5
107.08559	1.4
109.10139	0.4
111.04353	0.3
118.06544	0.3
119.08504	0.4
120.08067	0.8
121.06467	0.3
121.10099	0.3
133.08649	0.4
135.11656	1.2
145.10040	0.8
163.11189	1.5
169.33409	0.3
181.12344	0.4
184.09749	0.4
196.09879	0.4
197.10704	0.4
204.06642	1.0
209.10739	1.0
210.11493	1.0
211.08846	0.4
211.12433	0.6
220.09969	0.3
221.10750	0.7
223.08734	0.5
223.12245	1.6
224.13092	0.6
225.10190	1.5
225.13773	2.8
226.14627	1.0
227.12782	1.4
228.13150	0.4
229.93784	0.4
235.08652	0.5
236.09496	0.4
236.13193	0.4
237.10240	0.5
237.13834	1.6
238.14487	0.6
247.12289	0.3
249.10089	0.4
249.13867	0.9
251.08197	2.3
251.11623	0.5
265.09506	0.4
270.13693	0.3
275.15448	0.5
283.15289	2.6
284.15677	1.2
302.13150	0.4
309.08817	0.4
313.12222	0.3
313.27386	2.2
314.12863	0.4
314.27509	1.5
316.14301	0.4
324.15353	0.4
328.14441	0.5
335.25949	0.4
339.13464	0.4
340.14404	0.5
368.13904	0.5
368.18228	0.3
375.16223	0.3
382.15775	0.4
384.17233	0.4
389.17642	0.8
398.06912	0.3
398.15326	0.3
402.14798	0.4
403.15408	1.1
403.20035	0.5
404.20285	0.5
405.20935	0.6
412.16489	0.3
416.16632	0.6
417.16858	3.2
418.17471	2.1
419.18213	0.5
419.22958	0.6
426.99640	0.3
427.19135	0.4
429.17203	0.6
430.18497	0.7
431.18771	2.4
432.19360	2.6
433.20071	5.2
434.20502	0.3
435.22009	0.4
445.16309	0.9
445.21124	0.8
447.21823	10.1
448.22327	1.3
455.18509	0.5
458.16867	0.5
459.21893	1.0
460.18878	0.9
461.19809	1.3
462.20432	0.4
474.20456	1.0
475.21198	24.4
476.22018	4.6
477.23358	0.6
487.21466	0.6
489.22873	0.9
503.20129	3.4
507.23895	0.7
515.20868	0.5
519.24158	1.4
521.38306	1.4
522.38269	2.1
534.26318	0.7
535.23236	16.6
536.23474	1.0
547.23059	2.3
549.25024	2.3
561.24921	5.0
562.25598	4.9
563.26221	3.3
579.26221	0.6
589.24561	0.8
590.24988	1.2
607.25317	1.2
621.26965	8.5
622.27740	100.0
623.28101	4.8
701.33148	2.6
701.45532	0.5
719.47723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89262	0.2
55.05500	0.3
57.11025	0.2
64.79800	0.2
67.05488	0.4
71.79626	0.6
79.05471	0.3
80.77869	0.3
81.03393	0.2
81.07038	0.5
83.99725	0.2
86.11701	0.2
91.05477	0.3
93.07014	0.3
102.95074	0.2
109.10098	0.3
118.06517	0.4
120.08092	0.4
121.10133	0.3
122.64703	0.2
129.06984	0.2
146.52635	0.2
154.67780	0.2
172.03844	0.3
195.09207	0.4
196.09842	0.3
197.10844	0.5
199.08681	0.3
204.06467	0.4
207.09114	0.2
208.09982	0.3
209.10730	0.5
210.11491	0.9
211.08675	0.3
211.12311	0.9
212.13091	0.3
219.09134	0.4
221.10698	0.7
222.11537	0.7
223.08737	1.0
223.12256	1.6
224.13005	0.7
225.06670	0.3
225.10208	1.0
225.13841	3.1
226.14639	0.7
233.10599	0.3
235.08824	0.3
235.12292	0.7
237.06554	0.3
237.10136	0.5
237.13933	1.5
238.14494	0.3
239.15430	0.4
247.12416	0.5
249.10310	0.4
249.13898	1.0
251.08092	1.8
251.11848	0.3
258.29376	0.2
265.09824	0.3
265.13391	0.3
269.12668	0.3
270.13602	0.4
273.13651	0.4
275.15308	0.3
277.06052	0.5
284.14905	0.2
290.75299	0.2
301.12219	0.4
309.08768	0.5
311.10666	0.3
312.11423	0.4
312.14981	0.4
314.12939	0.5
316.14566	0.4
324.15115	0.3
326.12820	0.4
328.14523	0.5
330.15918	0.3
337.12119	0.3
338.12793	0.6
340.14545	0.6
341.11420	0.3
342.16220	0.4
350.12912	0.3
352.14471	0.5
356.13779	0.4
358.15323	0.4
368.13757	0.4
369.14334	0.2
387.16885	0.2
389.17914	0.8
391.19794	0.4
396.17322	0.3
398.15070	0.5
399.19492	0.5
402.14734	0.4
403.15515	1.1
403.19516	0.9
404.15656	0.3
404.20303	0.4
405.21255	0.4
412.16620	0.6
415.15689	0.4
416.16187	0.4
417.16895	3.6
418.17548	2.1
419.17972	1.2
420.23264	0.4
429.17126	0.4
430.18668	0.5
431.19006	1.8
432.19653	2.2
433.20135	4.4
434.20840	0.7
444.19342	0.3
445.16617	1.4
445.21118	0.5
446.20868	0.8
447.21857	9.6
448.22470	1.6
455.18741	0.4
457.16245	0.3
458.17270	0.5
459.21814	0.9
460.18542	1.2
461.18967	1.3
462.20688	0.4
473.20074	0.4
474.20847	1.1
475.21204	22.3
476.21851	5.5
477.22464	0.9
487.21368	0.9
489.22879	0.7
493.22369	0.8
503.20462	4.1
504.21429	0.3
507.23911	0.8
515.20526	0.3
517.22589	0.5
519.24207	1.6
533.25446	0.3
534.26190	0.9
535.23297	16.9
536.23523	1.5
547.23474	2.8
549.24835	2.3
550.23138	0.3
561.24890	7.3
562.25616	3.4
563.26379	3.0
575.23126	0.5
579.25861	0.7
589.24518	0.7
590.24969	0.9
607.25500	0.9
621.26965	11.4
622.27765	100.0
623.28046	8.9
701.33496	0.5
719.32898	0.3
719.43994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01864	4.6
55.05499	16.4
57.03431	11.3
57.07069	2.0
59.04987	4.8
61.02915	3.9
65.03925	2.5
67.05492	100.0
68.05820	1.3
69.03408	4.8
69.07055	19.0
71.01332	0.8
71.04983	4.9
71.24334	1.3
73.02918	1.5
79.05481	24.1
81.03403	6.6
81.07041	39.5
81.43679	0.6
82.07401	0.7
83.04958	5.8
83.08604	13.5
85.02890	5.7
85.06523	3.5
85.83839	0.6
91.03934	1.5
91.05463	22.1
93.07026	23.9
95.04942	6.5
95.05505	0.8
95.08588	18.6
97.02872	4.0
97.06509	8.3
97.10149	8.2
99.04453	0.9
99.08080	1.6
103.03929	0.8
105.07011	16.9
107.04935	5.0
107.08575	23.0
109.02830	1.0
109.06517	2.8
109.10136	83.4
110.10450	0.6
111.08072	5.5
113.09596	0.9
115.36486	0.6
117.06998	7.2
119.08562	18.8
121.06476	2.6
121.10117	8.8
123.08036	2.2
123.11700	1.9
125.09607	10.1
127.03857	3.1
129.05453	1.1
129.06990	2.8
131.08548	9.3
133.06500	0.6
133.10103	11.3
135.08044	3.4
135.11670	5.9
137.09590	4.4
139.11197	0.6
143.08513	1.8
145.04910	0.6
145.10114	10.2
147.08041	1.2
147.11673	7.5
149.09589	8.0
149.13205	4.6
151.07449	0.6
151.11142	1.1
153.09108	0.9
155.08536	0.9
155.10632	4.4
157.10121	1.6
157.22833	0.5
159.11678	6.8
161.09641	1.0
161.13242	2.2
163.11177	4.9
163.14633	0.5
165.09074	0.8
165.12660	0.8
169.10077	1.4
171.10251	0.9
171.11702	2.1
173.04369	1.7
173.11734	21.7
173.13226	4.2
175.11191	1.0
177.12704	2.7
179.14255	2.1
181.12253	0.9
183.11638	1.5
184.41383	0.6
185.13268	1.0
187.11200	0.7
187.14804	0.8
189.11177	4.5
189.12688	1.1
195.13760	1.5
197.13211	1.2
199.14844	0.7
201.12807	0.6
201.50380	0.5
211.13101	0.7
213.14716	0.6
215.17993	0.6
227.12732	21.3
227.14990	1.1
229.14311	74.8
230.14735	1.1
239.17924	2.0
247.20526	2.2
253.18074	0.8
255.15848	4.1
257.18973	6.8
267.15897	0.9
269.14731	0.8
269.17441	9.1
275.20001	24.9
293.17554	1.0
293.20953	1.3
321.24753	0.7
325.20020	1.8
331.22690	3.4
349.23666	27.6
367.24704	1.3
383.24152	3.1
389.17764	0.9
399.23752	6.6
407.27814	2.9
409.20688	1.0
409.25800	15.0
413.21671	1.4
423.27356	51.3
424.27475	2.2
437.25168	0.7
463.30209	1.1
475.33600	0.7
485.32376	2.1
503.33594	45.4
504.33667	1.6
521.34601	8.2
543.27924	1.2
549.30811	0.6
567.31262	2.4
649.68805	0.6
665.38904	0.7
730.37616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.14895	1.2
55.01883	1.5
55.05504	11.6
57.03431	13.1
57.07069	26.8
65.03930	1.3
67.05495	40.6
68.33175	1.0
69.07059	16.9
71.04980	2.8
71.08624	19.1
71.33236	2.5
73.02934	1.7
74.09718	2.0
75.04480	1.1
79.05482	20.4
81.03426	1.6
81.07044	60.6
82.07383	1.7
83.04958	6.2
83.08605	13.4
85.02870	1.4
85.06506	2.8
85.10169	12.7
89.06001	1.9
91.05482	8.7
93.07033	35.0
95.04951	4.4
95.08595	26.5
96.08923	1.4
97.06525	6.4
97.10154	3.9
99.08109	2.5
105.07020	5.8
107.08582	20.7
109.06493	3.5
109.10134	10.9
111.08066	5.4
111.11622	1.7
117.06989	4.6
119.08554	2.7
121.06434	1.2
121.10134	11.5
123.08044	4.4
123.11670	3.9
125.09575	1.3
131.08560	4.6
133.10129	4.1
135.08052	4.1
135.11678	6.7
137.13268	1.5
139.11182	1.7
147.11713	2.3
149.13243	24.5
159.11661	8.7
175.14790	1.6
177.12752	5.7
179.14310	3.0
180.14560	1.6
195.13739	7.3
235.68202	1.1
239.23717	1.9
242.00157	1.5
242.82239	1.2
269.17432	100.0
270.17795	2.1
313.27322	54.7
331.26297	5.5
332.26663	4.2
445.20380	1.6
459.21747	3.3
473.23880	2.3
487.24927	1.7
507.40384	99.9
508.40765	3.8
554.87244	1.7
575.26343	5.6
618.44128	1.6
700.51965	2.5
718.53400	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40923	0.2
53.03937	2.0
55.01864	2.1
55.05501	5.5
57.03432	1.8
57.07066	2.0
59.04990	0.3
61.02919	1.2
67.05489	2.6
68.05003	0.6
68.99773	0.9
69.03416	11.5
69.07055	6.2
70.06561	0.5
70.91693	0.7
71.04977	2.2
71.08602	1.1
73.02906	1.3
74.44958	0.2
75.04453	0.2
79.05479	3.3
80.05000	0.6
81.03403	10.1
81.05775	1.8
81.06595	0.4
81.07041	6.0
82.06567	2.1
83.04969	2.5
83.08606	4.1
84.08107	0.4
85.02887	18.7
85.10152	0.6
87.00807	6.0
87.04454	0.4
91.03891	0.4
91.05449	1.0
93.07023	3.6
94.06542	1.8
95.04937	0.6
95.08587	4.9
96.08114	4.5
97.02876	9.9
97.06499	0.9
97.10150	2.2
98.98491	0.2
99.04443	3.9
100.07571	0.8
101.02365	0.6
103.03926	0.6
105.01840	3.0
105.06985	0.9
107.08574	3.9
109.02857	9.3
109.06509	0.7
109.10150	3.2
111.04375	0.2
111.08056	0.9
111.11692	1.0
112.07594	3.0
114.09146	86.5
115.03912	0.6
115.09499	0.4
117.01814	0.8
119.08570	0.5
121.06544	0.4
121.10113	2.5
123.11678	1.5
125.09627	0.5
127.03891	13.6
128.07062	2.7
129.01802	1.0
129.05467	0.4
129.06978	0.3
130.08623	0.8
133.06473	0.2
133.10088	0.3
135.11685	2.0
137.13228	0.9
139.11107	0.5
140.07037	0.5
142.08604	0.5
142.36261	0.3
143.10687	0.3
145.04924	2.9
147.02863	0.6
147.04338	0.3
147.11676	0.3
148.11136	0.4
149.09587	0.8
149.13229	1.5
151.03889	0.3
151.14734	0.3
155.13409	0.3
158.08105	11.8
159.02837	2.5
160.09659	100.0
161.10057	0.6
163.03868	0.4
163.14754	1.7
171.02916	0.4
177.05499	0.3
177.16432	0.3
187.06018	0.3
189.03958	0.3
219.21005	0.6
231.04994	1.5
237.22151	0.5
249.06111	0.5
275.27332	0.7
293.28336	10.1
308.12329	0.3
311.29373	1.3
470.38388	9.6
632.43585	3.3
674.44604	2.7
700.42157	0.7
718.43622	48.4
719.43988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03926	0.9
55.01840	1.6
55.05499	2.7
57.03147	0.5
57.03426	9.7
57.07058	0.6
59.04984	1.1
61.02914	0.8
65.03930	4.0
67.05490	5.3
68.99809	0.3
69.03417	10.9
69.07051	4.2
69.80388	0.6
69.80798	1.6
70.06569	0.5
71.01349	2.0
71.01668	0.3
71.04979	57.2
72.05314	0.5
73.02902	6.3
75.04454	2.7
77.03917	0.4
79.05010	0.4
79.05475	6.8
81.03393	2.0
81.07043	8.9
81.07528	0.6
82.07399	0.4
83.04494	0.5
83.04967	7.5
83.08600	1.5
85.02889	100.0
85.06547	0.5
86.03213	1.0
86.06047	0.5
86.09690	0.3
87.04450	2.9
91.05463	19.2
92.05751	0.3
93.07029	8.3
94.04193	0.3
95.04968	2.7
95.08590	6.8
97.02876	12.2
97.06516	1.0
97.10143	0.7
98.21318	0.6
99.04430	9.0
101.05986	0.8
103.03910	0.5
103.05431	0.9
105.04477	0.3
105.07011	11.6
107.04935	2.5
107.08572	67.8
108.08916	0.9
109.02874	1.0
109.06498	21.0
109.10136	16.0
110.10457	0.4
111.04424	4.3
111.08062	0.7
113.05964	0.4
114.09160	0.4
115.03912	8.1
115.05299	0.4
116.06247	0.6
117.05466	4.4
117.07005	0.7
119.04961	0.5
119.06062	1.8
119.08560	7.2
121.06484	28.0
121.10122	12.1
123.04453	0.5
123.08067	1.6
123.11704	2.7
124.05199	0.4
125.09691	0.3
127.03904	2.7
129.05452	26.1
129.07001	0.7
131.04936	0.3
131.08522	2.5
133.04930	1.1
133.06517	0.5
133.10098	4.7
135.04402	0.5
135.08044	1.3
135.11665	5.0
136.64990	0.3
137.05940	1.5
137.09584	0.3
137.13258	0.7
139.03891	2.0
139.07558	0.4
139.11200	0.4
143.03407	0.3
143.08540	0.6
145.02838	1.3
145.04929	4.4
145.10071	3.0
147.04561	0.6
147.06506	9.4
147.07747	0.6
147.11649	2.8
148.11192	4.0
149.09590	61.8
149.13220	3.9
150.09938	1.2
151.03862	0.6
151.07564	0.4
151.11119	0.5
153.05481	0.7
157.04932	0.9
157.10161	1.4
159.11662	2.4
160.09650	0.6
161.05939	0.6
161.09613	0.8
161.13203	2.7
163.03903	0.7
163.06017	1.9
163.11159	1.2
163.14771	1.5
165.12769	0.5
167.07076	0.7
169.04973	0.5
169.10071	0.5
171.06503	1.7
171.11647	1.2
173.13246	2.3
175.11192	0.5
175.14792	2.8
177.05389	1.6
177.12823	0.3
177.16461	0.8
178.05821	0.5
179.07008	0.6
179.14212	0.4
181.04979	0.5
185.13261	0.8
187.06073	0.5
187.14787	2.6
189.16309	3.0
191.07051	0.3
191.14316	1.0
191.17911	9.7
197.13226	0.5
199.06013	0.3
199.14847	1.3
201.16357	2.0
203.17921	2.3
205.19554	0.4
207.06441	0.8
207.17413	0.6
211.14932	0.4
213.16350	1.8
215.14351	0.4
215.17957	1.2
217.15923	0.8
217.19495	0.4
219.09987	0.3
219.17331	0.4
225.07536	4.0
227.17972	0.6
229.15929	0.9
229.19398	0.4
231.17422	2.2
243.08617	2.9
253.19460	0.5
255.20998	0.6
257.22626	2.7
261.09653	2.6
269.22781	0.5
279.10632	1.5
295.24084	0.8
297.25726	0.7
297.43268	0.3
299.23758	0.6
313.25262	0.9
315.26743	4.3
346.27350	0.3
353.28391	0.8
379.33752	0.6
397.70352	0.3
403.33582	1.2
421.34589	7.7
421.40070	0.5
439.35690	3.8
582.25299	0.3
661.39746	0.7
699.44550	0.4
717.45605	53.6
718.46027	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	716.5658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.5
56.05026	2.9
57.07068	5.7
58.06572	1.1
59.30939	0.7
60.04514	21.6
67.05492	17.1
67.55744	0.6
69.03412	0.6
69.07055	11.2
70.06569	2.1
71.04974	0.9
71.08626	3.4
71.70541	1.1
79.05019	0.7
79.05482	11.7
81.07039	15.6
83.04940	0.8
83.08601	9.1
85.10175	0.9
86.06042	1.0
91.05455	2.8
93.07023	12.7
95.04958	1.3
95.08589	13.4
96.08109	2.3
97.06504	0.7
97.10148	5.3
99.76727	0.7
100.07571	0.8
105.07001	1.5
107.08572	8.2
109.10151	6.0
111.08060	0.8
111.11717	1.2
114.09203	0.6
121.10128	11.6
123.11714	1.4
125.09648	0.8
135.11658	4.6
149.13245	2.0
151.14832	1.1
163.14803	0.6
184.07375	0.6
198.73097	0.6
199.91397	0.6
224.50067	0.7
247.24176	2.4
264.26797	10.2
272.25745	5.1
282.27887	15.8
300.29211	1.0
488.48148	0.9
518.49158	4.9
536.50299	100.0
537.50653	5.2
554.51367	35.5
554.60162	1.0
555.51318	2.0
573.48669	1.1
604.45996	1.3
605.47638	1.8
739.47443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.00269	0.3
53.03925	0.8
55.01856	1.0
55.05500	3.3
55.98795	0.3
57.03145	0.5
57.03426	10.2
57.07063	0.6
59.04985	1.0
61.02912	0.9
63.72039	0.2
65.03924	3.5
66.86349	0.2
67.05492	4.7
69.03416	12.3
69.07052	4.1
69.80507	1.3
69.80915	0.4
71.01345	1.9
71.04978	61.5
72.05293	0.4
72.68635	0.2
73.02900	6.6
74.09685	0.3
75.04466	3.0
77.03939	0.3
79.05475	6.0
81.03400	1.7
81.07039	8.7
83.04961	8.0
83.08591	1.6
85.02888	100.0
86.03225	0.7
86.09692	0.3
87.04440	2.9
91.05459	18.4
93.07026	7.0
94.04151	0.3
95.04947	2.7
95.08584	5.8
97.02874	11.1
97.06502	0.8
97.10155	0.5
98.21471	0.3
99.04433	8.7
101.06010	0.5
103.03922	0.9
103.05469	0.7
104.10756	0.3
105.04507	0.4
105.07008	11.1
107.04945	2.6
107.08571	62.6
108.08908	1.0
109.02865	1.0
109.06496	23.0
109.10133	16.8
111.04427	5.3
111.08072	0.4
111.11712	0.3
111.90405	0.3
113.02373	0.3
113.06016	0.4
115.03909	7.6
115.05377	0.3
116.06242	0.3
117.05470	4.4
117.07008	0.7
119.05289	0.3
119.06033	1.9
119.08560	6.4
121.06480	32.8
121.10114	12.0
122.06826	0.5
123.04446	0.5
123.08031	1.2
123.11699	2.3
125.05983	0.3
125.09641	0.4
127.03892	2.0
129.05450	27.5
131.08525	2.0
133.04919	1.0
133.06497	0.4
133.10098	4.6
135.08055	1.0
135.11661	4.4
135.12607	0.3
137.05962	1.1
137.09598	0.3
137.13243	0.8
139.03882	2.4
139.11253	0.4
143.08551	0.3
144.09317	0.3
145.02924	0.3
145.04927	4.2
145.10114	2.5
147.06496	10.8
147.07744	0.5
147.11665	2.6
148.11160	2.3
149.09587	63.4
149.13197	3.4
150.09947	0.9
151.03900	0.3
151.11183	0.4
153.05435	0.4
155.08493	0.3
157.04977	0.8
157.10089	1.3
159.11653	2.4
160.09663	0.4
161.09601	0.7
161.13231	2.0
163.03883	0.7
163.06004	2.3
163.07222	0.3
163.11205	1.0
163.14780	1.5
165.07544	0.3
165.12776	0.3
169.04935	0.5
169.10101	0.3
171.06502	1.8
171.11717	0.7
173.09610	0.3
173.13174	1.7
175.11180	0.6
175.14771	2.6
177.05429	0.5
177.12738	0.5
177.16350	0.7
185.13266	0.9
187.14804	2.1
189.16367	2.3
191.14265	0.5
191.17902	9.5
195.06516	0.5
197.13258	0.5
199.06027	0.5
199.14801	1.1
201.16301	1.9
203.17902	1.9
207.06538	0.5
207.17488	0.7
211.14848	0.3
213.07608	0.4
213.16336	1.8
215.17937	0.9
217.15866	0.9
217.19380	0.6
225.07520	3.5
227.17966	0.6
229.15833	0.8
229.19415	0.4
231.17445	1.8
231.21106	0.3
241.19376	0.3
243.08611	3.2
243.83427	0.3
245.18887	0.4
255.21123	0.5
257.22598	2.1
261.09659	2.1
269.22745	0.4
271.20694	0.4
271.24258	0.5
279.10703	1.1
281.22772	0.3
295.24188	0.5
297.25443	0.6
299.23581	0.6
313.25146	0.7
315.26813	4.0
323.27249	0.3
339.26886	0.3
341.28247	0.3
365.28394	0.5
379.33527	0.7
383.29153	0.4
403.33734	1.8
421.34573	7.7
422.34882	0.4
426.42371	0.4
439.35696	3.3
661.39532	0.6
699.44031	0.6
717.45581	60.3
718.45978	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	716.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69330	0.3
53.00299	0.4
53.03927	1.3
55.01865	3.7
55.05502	16.2
57.03427	8.2
57.07064	1.3
59.04993	3.3
61.02914	2.3
63.45273	0.4
65.03932	2.1
67.05492	73.0
68.05820	0.9
69.03419	6.7
69.07056	18.3
69.57327	3.4
71.04984	2.7
73.02900	0.6
79.05477	13.9
81.03400	4.2
81.07041	19.7
82.70139	0.3
83.04972	3.2
83.08604	9.7
85.02883	2.8
85.06541	2.5
87.04469	0.6
91.03951	1.5
91.05465	13.8
93.07027	14.3
95.01328	0.6
95.04955	4.8
95.08586	11.1
97.02872	8.6
97.06521	2.2
97.10152	8.4
98.20531	0.4
99.04443	0.5
99.08058	0.8
101.09634	0.4
105.07009	7.6
107.04925	4.8
107.07883	0.7
107.08575	10.4
109.02870	0.6
109.06506	2.1
109.10137	58.3
110.10461	1.0
111.04456	1.1
111.08064	3.1
113.05968	0.5
115.05453	0.9
117.07001	4.9
119.04922	1.2
119.08561	12.2
121.06463	2.4
121.10140	3.3
123.04459	0.5
123.08025	2.9
123.11697	0.6
125.09616	6.6
127.03892	0.5
127.11164	0.4
128.06186	0.7
129.06996	2.2
130.07835	0.5
131.08543	5.4
133.06470	1.9
133.10118	5.8
134.07216	0.9
134.10463	0.4
135.08005	2.3
135.11691	1.7
136.06201	0.6
137.09578	3.9
139.07632	0.4
142.07719	0.5
143.08545	2.5
145.06453	0.6
145.10106	4.5
147.08022	3.9
147.11635	2.2
149.09592	1.8
149.12225	0.4
149.13174	1.7
151.11194	0.8
153.09140	0.5
155.10645	2.6
157.10046	1.8
159.08054	0.7
159.11702	1.8
161.09590	2.1
161.13219	0.6
162.10368	0.6
163.11148	1.4
165.09091	1.7
167.08522	0.5
169.10030	0.4
169.12190	0.6
171.10284	0.6
171.11685	1.2
173.09505	0.7
173.11717	16.8
173.13039	0.7
175.11246	1.0
175.14786	0.4
177.12753	1.1
179.10672	0.4
179.18726	0.4
184.07393	0.5
185.13252	0.8
189.09561	0.5
189.11206	2.8
189.12706	0.6
193.12207	0.7
195.13820	0.7
203.10832	0.4
205.12164	1.8
211.13275	1.1
223.11003	0.7
223.13249	13.9
227.12744	4.0
227.17963	0.7
229.14310	62.7
230.14717	1.0
245.18939	1.1
249.14734	2.3
253.14413	3.0
255.17484	0.8
267.15863	0.8
273.18420	10.5
274.18826	0.6
283.15457	0.5
291.19492	72.9
292.19904	2.4
309.20514	1.0
347.22256	2.6
365.23166	37.5
366.23511	1.3
399.23932	0.8
421.25720	0.9
425.25092	1.3
439.26819	2.8
451.27029	0.6
501.31885	2.6
519.33099	100.0
520.33398	4.8
536.50110	1.1
537.33972	1.2
591.44556	0.4
596.93402	0.4
663.37402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01866	0.8
55.05308	0.2
55.05503	1.8
57.03427	4.0
57.07053	0.6
59.04975	0.5
61.02905	0.8
65.03928	3.1
67.05490	3.6
69.03419	4.9
69.07051	2.6
71.01334	1.2
71.04980	19.7
72.05304	0.3
72.67000	0.2
73.02903	6.7
75.04465	1.2
79.05478	6.9
81.03389	0.6
81.07040	5.2
83.04963	3.9
83.08609	0.9
85.02890	32.1
85.06503	0.2
87.04462	0.6
91.05461	16.8
92.06249	0.5
93.07028	4.2
95.04952	2.2
95.08590	5.8
97.02876	4.1
97.06498	0.7
97.10154	0.5
99.04432	2.3
103.03905	0.4
103.05431	0.3
105.07012	12.2
107.04948	0.7
107.08574	100.0
108.08910	1.0
109.02868	0.3
109.06497	6.4
109.10136	6.9
111.04417	3.1
111.08038	0.2
111.11714	0.2
113.06023	0.2
115.03925	3.1
115.05379	0.3
117.05491	1.2
117.07001	0.9
119.06039	1.3
119.08569	5.5
121.06497	1.9
121.09249	0.3
121.10125	5.4
123.08053	0.9
123.11681	2.6
124.05207	0.3
125.05987	0.2
125.09616	0.6
127.03935	0.6
128.06209	0.2
129.05455	8.0
129.07001	0.6
131.08556	2.3
133.04965	0.5
133.06479	0.5
133.10114	3.9
135.08038	0.9
135.11674	4.6
137.05952	0.2
137.09569	0.2
137.13228	0.9
139.03876	0.8
139.11157	0.2
141.06934	0.3
142.07751	0.3
143.08536	1.4
145.04953	1.0
145.06456	0.5
145.10112	3.2
147.06511	2.3
147.07961	1.2
147.11656	2.7
149.09601	0.8
149.13254	1.6
151.07574	0.4
155.08530	0.7
156.09334	0.4
157.05005	0.2
157.10089	1.9
159.08049	1.2
159.11681	3.3
161.09570	1.0
161.13237	2.0
163.06067	0.5
163.11163	0.6
163.14796	0.9
165.09109	0.5
167.08517	0.2
169.10175	0.8
170.10886	0.3
171.06564	0.4
171.07968	0.3
171.11632	1.5
173.09613	1.0
173.13219	1.5
175.11171	1.4
175.14796	1.3
177.09160	0.6
177.12674	0.8
177.16370	0.6
179.10745	0.2
181.10112	0.5
183.11699	0.7
185.09645	0.4
185.13213	1.2
187.11192	0.5
187.14815	1.6
189.12733	0.5
189.16371	1.3
191.10617	0.3
191.14285	0.2
191.17917	1.9
191.64731	0.2
193.12224	0.2
195.11707	0.6
197.13193	0.9
199.11124	0.4
199.14821	0.9
201.12714	0.9
201.16350	1.1
203.14246	0.5
203.17964	1.2
205.12224	0.2
209.13300	0.7
211.11288	0.2
211.14848	0.8
213.12741	0.5
213.16411	0.8
215.14377	0.5
215.18005	0.4
217.12180	0.3
217.19441	0.3
219.13684	0.3
221.15358	0.2
223.14798	0.5
225.07570	1.2
225.12807	0.3
225.16324	0.3
227.14288	0.5
227.18027	0.3
229.15913	0.3
229.19542	0.3
230.80096	0.3
231.13873	0.2
233.15300	0.2
237.16354	0.5
239.18030	0.4
241.15863	0.3
241.19550	0.7
243.08629	0.6
243.21086	1.4
245.15265	0.3
247.17079	0.3
251.17885	0.4
253.19569	0.5
255.20999	0.9
257.18863	0.2
261.09683	0.5
265.19473	0.3
267.17349	0.3
267.21021	0.3
269.22690	0.2
277.19571	0.3
279.10870	0.2
279.21039	0.4
281.19128	0.3
281.22610	0.2
291.21088	0.2
295.20782	0.3
295.24103	0.2
297.22180	0.3
311.23669	0.3
313.25031	0.3
315.23093	0.5
335.27243	0.3
345.25937	0.6
361.29019	0.4
363.26709	2.2
369.27911	0.2
381.27609	0.9
391.33746	0.3
401.31882	2.2
419.32990	4.6
419.38168	0.3
431.33279	0.2
437.34183	2.3
449.34164	0.3
479.35577	0.3
491.34839	0.3
503.35193	0.2
505.37103	0.2
529.36969	0.6
547.37665	1.2
565.39008	1.0
569.38342	0.5
585.37671	0.4
587.39160	0.6
597.38239	0.3
598.75305	0.2
599.39105	0.4
611.39240	0.3
637.41479	0.3
639.38501	0.6
641.40070	1.1
653.39624	0.2
655.42041	0.3
659.37872	1.1
674.25427	0.2
679.41827	1.8
697.42999	4.5
698.43237	0.3
715.44000	14.9
716.44202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5501
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
51.34000	0.2
53.03927	1.3
55.05502	6.8
56.05032	4.5
57.03396	0.3
57.07064	3.2
58.06559	1.0
60.04514	2.5
61.02889	0.5
65.03891	0.5
67.04198	0.5
67.05491	11.8
68.04986	0.9
68.21464	0.2
69.03426	1.5
69.07056	8.9
70.06577	2.2
71.00323	0.7
71.04955	0.3
71.08614	1.6
74.06004	0.2
76.03973	0.3
77.03897	0.2
79.05478	10.4
80.05003	3.0
81.03378	0.7
81.05779	1.6
81.07040	10.5
82.06567	7.9
82.07301	0.5
83.04929	0.4
83.08601	5.9
84.08102	0.7
85.02891	2.5
85.10136	0.8
86.06007	0.3
91.05460	8.8
93.05749	0.4
93.07025	10.0
94.06551	19.8
95.04949	2.0
95.07334	7.9
95.08588	8.7
96.08109	6.2
97.02832	0.9
97.06471	0.4
97.10144	2.9
98.06010	0.3
98.96478	0.2
100.07578	0.4
105.04478	0.4
105.06335	0.3
105.07005	5.2
106.06506	0.3
107.07332	0.5
107.08576	5.8
108.07466	0.3
108.08106	3.3
108.08817	0.4
108.77364	0.2
109.02847	0.4
109.06444	0.3
109.10139	3.2
110.09619	0.5
111.08048	0.4
111.11659	0.8
112.07548	0.3
117.06977	0.3
119.08562	5.7
120.08065	0.3
121.08852	0.5
121.10119	6.1
122.08918	0.2
122.09656	2.5
122.10425	0.5
123.11696	1.1
124.11169	0.4
125.09601	0.3
127.03863	0.5
131.08481	0.2
133.10103	3.7
134.09607	0.6
135.10379	1.1
135.11627	3.4
136.11153	0.8
137.13185	0.6
142.54581	0.2
147.11656	1.3
149.13155	1.0
151.14745	0.4
161.13254	1.0
163.14818	0.5
175.14803	0.4
177.16327	0.2
189.16278	0.3
191.17870	0.4
193.19479	0.6
200.30762	0.2
219.20975	0.8
233.22586	3.0
234.22218	0.5
237.22147	0.3
245.22607	5.1
250.25258	7.6
251.25510	0.4
254.24829	1.2
260.23578	0.4
262.25253	100.0
263.25668	5.9
264.26746	0.5
272.25787	5.0
273.26013	0.3
280.26285	6.7
281.26593	0.3
296.25653	0.4
310.27338	0.4
312.25284	0.5
314.26764	0.4
331.60822	0.2
338.30630	0.2
368.31506	0.7
410.39267	0.2
442.31546	0.5
443.32086	0.3
470.47345	0.3
504.47662	5.8
505.47934	0.7
516.47693	30.8
517.48065	4.1
518.49231	6.1
519.50037	0.4
534.48737	20.7
535.49054	2.4
696.53906	6.3
697.53955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.55
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03934	1.0
55.01851	0.3
55.05499	6.4
56.05033	3.9
57.07068	3.3
58.02954	0.4
58.06577	1.0
60.04513	2.9
60.70532	0.3
61.02929	0.6
65.03912	0.4
65.51971	0.3
66.75645	0.3
67.04242	0.4
67.05492	11.4
68.05007	1.0
69.03416	0.9
69.07056	7.9
70.03721	1.8
70.06570	2.2
71.08614	1.6
72.04503	0.4
77.03870	0.4
79.05478	10.0
80.05003	2.7
80.26857	0.3
81.03400	0.8
81.05795	1.6
81.07040	10.7
82.06570	6.0
83.08607	4.8
84.08135	0.6
85.02882	2.6
85.10150	0.9
86.06033	0.4
91.03967	0.3
91.05462	7.6
93.05763	0.5
93.07025	10.1
94.06552	17.6
95.04954	1.7
95.06763	0.6
95.07336	8.0
95.08588	8.5
96.08122	4.9
97.02867	0.6
97.06528	0.4
97.10168	2.3
98.06016	0.4
105.04500	0.4
105.06999	6.3
107.07356	0.5
107.08570	4.7
108.08087	2.9
109.06512	0.4
109.10144	2.8
110.09639	0.6
111.11669	0.6
119.08559	5.9
121.08860	0.6
121.09160	0.4
121.10119	6.4
122.09652	2.6
123.11681	1.4
127.03893	0.6
131.08511	0.4
133.10107	3.7
135.11650	3.1
136.11171	0.8
137.13257	0.7
147.11679	1.7
149.13219	1.1
151.14821	0.6
161.13266	0.8
163.14731	0.5
214.28899	0.3
219.21100	1.2
232.76501	0.3
233.22609	3.7
234.22182	0.5
237.22032	0.4
245.22626	4.6
250.25270	7.8
254.24728	1.1
260.23474	0.4
262.25256	100.0
263.25754	3.9
264.26770	0.5
272.25793	5.7
280.26312	7.5
310.27216	0.4
312.25220	0.8
314.26941	0.6
426.69290	0.3
442.31183	0.5
504.47717	6.6
505.47705	0.3
516.47693	36.6
517.47961	2.9
518.49207	7.2
534.48785	24.6
535.49072	2.1
603.46240	0.6
696.53912	7.7
697.53979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01859	2.2
55.05500	28.0
57.03193	1.7
57.03430	18.5
57.07055	6.0
60.07312	2.0
61.02908	2.4
65.03931	4.5
67.05495	89.7
68.34448	2.0
69.07055	25.9
69.54767	18.3
71.04984	4.9
71.08606	4.5
74.09724	2.0
79.05481	52.9
81.03402	3.9
81.07047	100.0
83.04961	6.5
83.08607	18.0
85.02888	8.3
85.06512	5.8
86.09699	24.1
91.05466	37.8
92.05785	2.6
93.07030	54.7
95.04950	8.6
95.08595	63.4
97.02885	2.9
97.06502	7.9
97.10142	7.6
98.98453	2.3
99.08090	3.9
105.07016	48.8
106.52383	2.2
107.08575	38.9
109.06502	4.0
109.10145	34.6
111.08043	3.3
117.07011	12.5
119.08564	39.8
121.06571	2.3
121.10133	30.3
123.08036	3.1
123.11699	11.1
124.99973	16.4
125.09614	5.3
127.07498	2.4
129.06976	4.8
131.08553	20.3
133.10098	24.9
135.11679	16.2
137.09613	2.4
137.13266	2.3
143.08560	4.2
145.10091	21.5
147.11661	29.7
149.13232	11.0
151.11160	2.9
157.10071	5.8
159.11676	16.8
160.93929	2.0
161.13211	10.0
162.24937	1.8
163.11203	2.3
163.14809	4.5
165.06262	1.8
165.12741	10.4
166.22273	1.9
171.11641	7.4
173.11810	4.4
173.13237	7.8
175.11162	2.0
175.14804	5.9
177.16434	4.1
183.11635	2.3
184.07320	76.9
185.13214	4.4
187.14813	7.1
189.16394	2.2
199.14827	4.4
201.16391	4.1
201.40884	2.0
209.11635	3.1
219.17474	2.2
227.12764	3.7
229.14310	35.2
239.16380	18.8
241.17902	6.2
243.21028	4.4
254.62164	1.9
259.20578	5.9
261.22116	10.9
277.21567	4.2
281.20984	2.4
287.23694	2.1
299.23712	2.7
304.26251	2.4
317.24771	3.5
319.25986	2.4
333.24072	6.0
335.25772	66.8
336.26108	5.0
347.25986	2.3
353.26981	2.4
355.26038	2.5
391.28241	3.2
407.27811	3.3
407.32986	6.9
419.31326	2.9
425.34119	17.2
443.35062	7.6
481.36786	2.2
489.35733	23.2
490.35748	3.0
499.37729	33.2
507.36417	2.8
517.38861	93.5
517.46527	4.8
518.39038	10.7
670.24811	2.4
714.28674	2.0
714.39972	7.5
714.48383	3.8
715.40857	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	713.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01864	1.0
55.05497	1.0
57.03420	1.3
61.02908	0.8
65.03923	3.0
67.01839	1.2
67.05502	3.8
68.04997	0.7
69.03419	4.2
69.07047	2.1
69.74073	0.7
70.06566	2.6
71.04970	1.5
72.08134	2.0
73.02894	0.9
77.03946	0.8
79.05476	1.6
80.04965	2.7
81.03416	4.3
81.07021	1.7
82.06558	0.7
83.04974	1.0
84.04481	0.8
84.08116	1.5
85.02898	7.3
85.06517	0.8
86.09683	1.5
87.00816	0.7
87.04465	0.7
89.03877	0.8
91.05466	4.0
92.05010	0.9
93.07036	3.6
94.06544	3.2
95.04961	3.4
95.08560	1.7
97.02855	3.6
97.06502	1.2
98.06022	1.0
99.04424	2.7
103.05431	1.2
105.07021	3.5
107.04934	1.8
107.08576	2.7
108.04478	5.9
108.08044	0.7
109.02859	4.2
109.06512	1.0
109.10119	1.1
110.06030	3.5
111.04417	1.7
111.08092	1.0
112.07541	0.9
114.09131	1.4
114.10267	1.5
114.12764	1.7
115.05406	1.6
117.03312	1.7
119.04917	2.2
119.08527	3.0
120.08065	1.3
121.02808	0.7
121.06483	2.6
121.10125	1.6
122.06010	6.6
123.04369	0.8
124.05205	0.7
124.07563	1.4
125.05994	0.9
126.05489	1.5
127.03889	5.0
129.06996	0.6
130.06491	1.3
130.08632	9.7
131.04912	2.2
131.08498	0.7
132.08092	0.9
133.06491	0.8
133.10104	2.7
134.05957	1.0
135.04434	1.5
135.07988	1.0
136.03999	1.8
136.07610	1.3
137.05960	8.4
138.05470	12.7
138.06430	1.0
140.07048	6.2
143.08524	1.2
144.08058	2.3
145.02856	4.1
145.04916	1.8
145.06482	0.8
145.10059	0.9
146.05984	1.4
146.09579	1.1
147.04413	5.3
147.07953	0.8
147.11650	1.2
149.05949	1.4
150.09093	2.0
151.03928	1.0
151.07478	1.9
152.07028	1.6
154.04967	77.0
154.08563	2.2
155.05305	1.3
155.07079	0.7
158.05978	9.3
159.08009	1.2
160.07544	11.1
161.05939	3.2
161.08372	0.7
161.09567	1.0
162.05450	0.9
162.09058	1.3
163.03877	7.6
163.06003	1.3
163.07457	1.6
163.11131	0.7
165.05437	1.0
165.12816	0.8
166.08560	1.0
167.07007	5.5
168.07430	0.8
170.05801	0.8
172.07541	3.3
174.09140	1.3
175.03915	2.8
175.06165	0.8
175.07477	1.9
175.14774	3.1
176.06998	1.2
177.05423	7.3
178.08594	1.0
179.06975	0.9
181.04973	1.2
181.08592	2.0
184.07353	2.3
187.07567	1.5
187.11227	0.8
189.10414	0.7
190.04913	1.4
190.08614	3.2
191.07007	1.2
191.14238	1.5
191.19258	0.7
192.10141	1.1
192.14520	0.9
193.04973	1.0
193.08607	2.0
197.08159	0.7
198.05437	0.9
200.07059	2.7
201.05379	1.2
201.10289	0.7
202.08595	3.2
204.06474	2.4
204.10152	1.1
207.06514	2.8
207.11298	1.6
208.11317	0.9
212.07088	0.8
215.04509	2.5
216.06610	0.8
218.08093	34.2
219.08656	2.0
220.09779	1.7
222.09149	2.2
222.11133	1.3
224.07047	0.9
225.10121	0.7
229.09657	1.7
230.08159	1.6
232.09535	1.3
234.11424	0.8
236.09088	5.8
237.10316	1.5
238.10973	0.9
239.11803	0.9
244.06032	3.8
245.09299	1.1
246.07596	6.0
247.10704	2.4
248.11113	0.9
250.08574	0.8
250.10722	18.4
251.08224	1.0
251.11655	2.2
252.12573	0.9
253.09584	1.3
254.10455	1.0
257.09091	1.1
262.06998	1.6
263.07883	5.4
263.11816	1.5
264.08444	7.2
265.09686	8.5
266.10382	2.2
267.11127	2.6
270.10001	1.9
273.08643	1.8
275.10312	1.9
276.08572	2.8
277.09299	1.2
277.16739	0.7
278.10358	0.8
279.07629	2.8
279.11243	6.0
280.08298	1.8
281.09198	1.8
281.12820	2.0
282.09821	1.0
283.10706	1.7
284.32602	0.7
285.12250	1.6
286.09521	1.4
291.09644	4.2
292.09540	2.0
293.09067	26.7
294.09937	3.8
295.10507	1.7
297.08789	1.1
297.11929	3.5
303.09772	0.8
303.13306	1.2
307.10632	2.9
307.13525	1.0
309.12161	1.4
310.10617	2.0
311.10272	1.4
311.13773	2.2
312.10938	1.6
314.09003	0.8
315.13306	3.3
321.12354	5.6
323.10278	0.9
325.08148	1.2
325.11679	8.8
326.12198	1.4
327.13330	2.7
335.10187	3.4
337.08148	2.9
337.11752	5.7
338.08853	13.1
338.12524	1.1
339.09402	1.9
339.13312	12.6
340.13861	1.2
343.13004	0.7
350.60425	0.8
351.09576	1.9
353.11258	100.0
354.11639	5.7
355.12811	22.6
356.13373	1.3
357.14471	3.3
365.11310	2.8
369.14331	5.7
371.11972	4.6
371.16086	2.8
375.15561	3.8
385.13889	51.6
386.14050	3.2
401.13467	3.1
405.05765	0.8
407.17957	2.0
432.15323	1.1
433.15814	1.4
442.16351	0.8
446.17236	1.0
449.16510	0.8
450.16333	0.9
456.15433	5.4
464.18652	0.9
466.19485	0.9
474.16544	11.5
475.16724	1.1
476.17978	2.3
488.17783	2.6
492.17688	12.3
493.17905	1.6
494.19388	4.8
506.19290	6.0
507.18542	1.1
508.20734	1.3
510.18668	49.2
511.18723	4.4
524.20209	34.8
525.20850	3.6
528.19940	1.0
542.21283	22.9
543.21564	2.1
556.22888	12.1
557.23077	1.0
595.21741	0.9
613.22778	8.1
614.22772	0.8
627.24249	1.5
631.23682	4.2
645.25226	4.7
646.24896	0.8
649.24969	10.2
650.25092	0.9
663.26221	2.2
681.27795	5.8
713.29944	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03933	1.9
55.01860	5.4
55.05501	15.6
57.03145	0.8
57.03428	15.8
57.07063	2.6
59.04993	0.5
61.02916	3.5
65.03922	2.4
67.05492	60.3
68.05804	0.8
69.03414	1.4
69.07055	17.5
70.06552	0.7
71.01344	2.2
71.04987	3.8
71.08614	0.5
71.79727	0.4
73.02889	1.0
77.03924	0.7
79.05477	46.5
81.03416	3.5
81.07041	47.3
82.07391	0.8
83.04963	13.1
83.08603	7.5
85.02899	2.5
85.06512	3.4
91.03945	0.9
91.05464	22.7
93.07026	57.9
94.07337	0.7
95.04958	6.3
95.08589	31.6
96.08971	0.6
97.02880	1.6
97.06512	9.4
97.09547	0.8
97.10146	7.6
98.10457	0.4
99.04428	0.8
99.08089	1.6
105.04498	0.8
105.07012	12.4
107.04961	1.3
107.08572	35.1
109.06511	1.6
109.09383	0.9
109.10136	14.6
111.08054	3.4
111.11699	0.6
113.06020	0.4
113.09633	0.4
116.07043	0.8
117.06999	6.4
119.08558	12.2
121.06494	1.0
121.10121	17.0
123.08065	1.0
123.11677	3.1
125.05963	0.5
125.09615	1.6
128.06183	0.5
129.06979	0.7
130.07733	0.5
131.08549	6.8
133.10097	8.5
135.08058	1.6
135.11668	40.1
136.12013	0.7
137.09608	1.1
137.13223	1.0
139.07516	0.4
139.11102	0.5
143.08511	1.3
145.10092	11.5
147.11667	3.7
149.13223	4.2
150.25648	0.3
151.11148	1.1
153.12724	5.9
157.10114	0.7
158.58331	0.4
159.11667	3.6
161.13203	3.1
163.11186	4.6
163.14801	2.0
171.11676	0.6
173.11769	0.6
173.13185	3.5
175.14822	1.3
175.25842	0.4
177.16422	1.0
181.12199	9.4
183.11598	0.6
184.07358	0.6
185.13249	0.6
187.14856	1.7
189.11263	0.7
195.13811	0.4
199.13271	1.8
199.14825	0.5
201.16333	0.5
227.12764	1.4
243.20966	3.2
253.14296	1.9
255.15869	61.0
256.16232	0.9
259.20584	0.6
261.22079	11.0
261.24664	0.7
269.17560	0.5
279.23163	0.6
289.25372	0.4
299.24023	0.4
317.24680	2.3
333.24231	0.6
335.25735	57.0
336.26068	2.6
337.26096	0.5
405.31509	0.9
423.32538	2.5
427.91833	0.5
441.33609	1.4
459.34415	0.6
497.35947	1.1
514.34741	0.4
515.37231	100.0
516.37592	3.4
533.38391	2.9
603.88641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.05483	0.1
56.05017	0.1
57.03452	0.1
67.05477	0.2
68.05014	0.4
69.03413	0.5
69.03720	0.1
69.05801	1.0
69.07041	0.2
70.06568	0.2
71.04972	0.2
71.07343	0.1
71.79950	0.2
72.08123	0.1
73.02899	0.1
79.05473	0.4
81.03409	0.7
81.07037	0.3
83.04967	0.2
85.02901	0.8
86.09682	0.2
87.00787	0.1
91.05460	1.1
93.07018	0.5
95.04951	0.2
95.08598	0.4
96.08140	0.1
97.02865	0.3
97.06501	0.2
99.04394	0.2
103.05434	0.6
104.06215	0.2
104.10728	0.1
105.01831	0.1
105.07024	2.3
107.04940	0.1
107.08559	0.4
109.02872	0.6
109.10106	0.2
111.04423	0.1
114.09134	0.1
115.05415	0.1
117.03357	0.2
117.06993	0.2
118.06516	0.1
119.04918	0.2
119.08553	0.2
120.08089	8.4
121.06522	0.1
121.08429	0.2
121.10123	0.6
123.08044	0.2
123.11722	0.2
124.99992	0.1
125.47327	0.1
127.03887	0.9
129.05492	0.1
129.06958	0.1
129.65935	0.1
130.06480	0.1
130.08621	0.2
131.04884	0.3
131.08591	0.1
132.08044	0.7
133.08852	7.1
134.09233	0.1
135.04326	0.2
135.08070	0.1
135.11649	0.2
137.05933	0.5
137.13228	0.1
143.08513	0.1
144.08064	0.2
145.02777	0.6
145.04939	0.2
145.06453	0.1
145.10136	0.1
146.06041	0.1
146.09633	0.2
147.02922	0.1
147.04375	0.4
147.10429	0.2
147.11617	0.1
148.11185	100.0
149.05959	0.1
149.11543	2.3
151.07506	0.3
157.06427	0.1
159.08072	0.1
159.11684	0.2
161.06000	1.0
161.41750	0.1
163.02614	0.2
163.03891	1.9
163.07481	0.2
163.11200	0.1
164.04178	0.5
165.05551	0.1
167.07018	0.4
171.10405	0.8
172.11165	0.1
173.06030	0.1
173.09583	0.1
174.09126	0.9
174.41867	0.1
175.03851	0.2
175.07529	0.3
177.05450	0.9
177.16376	0.4
181.04872	0.2
181.08536	0.2
184.07330	0.4
185.05933	0.1
186.09123	0.2
187.07463	0.1
189.12779	0.1
191.06973	0.1
203.06984	1.6
203.11807	0.6
204.10136	0.1
207.06497	0.2
207.13835	0.2
220.09641	3.9
221.09982	0.1
231.04922	0.2
232.09575	0.5
249.12299	2.4
261.19595	6.5
262.20023	0.2
267.19485	0.2
279.11182	0.1
289.19061	8.5
290.19455	0.3
339.06854	0.1
339.13077	0.1
350.18756	0.2
351.16974	0.1
353.14685	0.1
354.15228	0.2
357.08029	0.4
357.12811	0.1
367.16541	0.3
375.09009	0.5
393.10345	0.2
396.19113	2.2
397.19571	0.1
424.18613	14.6
425.19037	0.5
449.74310	0.1
493.68741	0.1
537.27045	0.3
555.25421	0.4
630.26190	0.7
712.37366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
54.28814	0.6
55.01863	3.2
55.05501	11.2
56.68743	0.5
57.03151	0.8
57.03427	12.2
59.04979	0.7
61.02903	1.0
65.03935	1.6
67.05496	18.7
69.03429	4.7
69.07057	7.1
69.52573	4.0
69.52990	1.9
70.06580	1.5
71.01352	0.7
71.04984	4.5
73.02915	1.4
75.07632	0.6
79.05478	21.5
79.71888	0.6
81.03406	81.6
81.07043	20.3
81.07533	1.1
82.03747	1.3
82.07372	0.7
83.04961	11.0
83.08608	22.7
85.02892	13.7
85.06530	1.9
86.09722	1.2
91.05464	26.0
92.05799	1.3
93.07031	16.4
94.07393	0.6
95.04951	27.5
95.08598	9.8
97.02873	4.1
97.06494	4.1
97.10138	7.0
98.20703	0.9
99.04399	1.3
99.08089	1.1
102.18652	0.5
103.03854	0.7
103.05450	1.5
105.07020	19.0
107.04941	9.7
107.08578	9.8
108.08921	0.7
109.02865	1.3
109.06496	7.4
109.10123	5.7
110.04444	0.6
110.06044	0.6
111.04406	3.2
111.08067	10.5
113.05954	1.5
114.09187	1.2
115.05441	2.3
117.03308	0.9
117.06978	3.3
119.04925	3.6
119.08558	17.9
121.06484	4.8
121.10130	9.7
123.04407	2.4
123.08038	3.4
123.11700	2.3
125.00005	1.1
125.05978	0.9
125.09621	4.5
127.03897	2.5
127.07613	0.7
128.06209	0.7
129.06984	12.3
129.07928	0.7
130.08612	0.8
131.04935	1.6
131.08551	14.3
133.06465	4.9
133.10109	10.3
135.04434	0.6
135.08043	3.1
135.11653	1.9
137.05975	5.0
137.09596	2.4
139.07457	0.6
139.11238	0.7
141.06984	0.9
142.07745	2.3
143.08554	2.0
145.02791	2.1
145.06465	4.5
145.10104	3.9
147.04352	3.3
147.08017	5.9
147.11665	13.2
148.11076	1.2
149.09598	7.2
151.03871	1.1
151.07500	1.0
153.09073	1.0
153.12788	0.7
155.08566	0.6
157.06499	1.8
157.10112	13.0
158.10533	0.9
159.08023	1.5
159.11667	1.8
161.05901	1.2
161.09613	0.8
163.03902	1.5
163.07530	1.3
163.11151	3.0
165.12778	2.6
167.07016	2.0
167.08441	0.8
169.06419	1.0
169.10088	1.4
171.08072	1.2
171.11659	1.3
173.09555	1.2
173.11765	0.7
173.13203	1.4
175.03922	4.6
175.07513	3.2
175.11179	14.6
175.14742	1.0
176.04247	0.7
177.05505	4.2
177.16298	0.7
178.05754	0.8
181.10037	0.9
183.07993	0.8
184.07300	5.2
184.08669	0.6
185.09599	0.8
187.07401	0.7
187.11127	0.8
189.09084	0.8
189.11205	2.1
193.12207	34.5
194.12604	0.8
195.11832	0.8
197.13202	1.3
203.14284	1.0
205.00272	0.6
205.12308	0.8
207.06491	7.8
208.06816	2.2
211.11241	1.2
211.13246	15.3
212.13576	0.6
213.12758	1.0
215.14420	0.8
219.13689	2.9
223.13138	0.7
225.12755	0.7
227.12669	1.2
229.14285	1.2
231.13954	0.8
233.15309	1.9
237.12752	0.7
237.44153	0.6
249.14877	2.5
255.13795	2.0
259.15442	2.0
261.11279	1.0
267.15866	100.0
268.16266	2.7
271.06058	0.9
273.14896	4.8
285.13840	1.3
285.16919	18.0
286.17560	1.0
293.17322	1.7
323.12686	1.0
339.23190	1.2
341.21066	1.9
349.21414	3.0
357.24179	1.0
367.22568	10.3
385.23679	11.6
386.23914	0.7
403.24750	2.6
405.24161	1.3
415.24899	1.0
423.25214	0.6
433.25824	14.3
441.26288	7.6
451.26831	2.4
459.27359	79.3
460.27893	3.8
477.28415	59.1
478.28842	3.2
495.29288	5.3
519.29639	1.5
603.30615	0.8
670.67511	0.7
706.88641	0.6
710.39130	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	708.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42764	0.3
53.03912	1.2
55.01855	0.6
55.05504	4.4
57.03427	8.0
57.07029	1.0
65.03890	0.8
67.05492	22.1
67.17725	0.3
69.03387	1.4
69.07059	7.7
71.01293	0.4
71.04980	2.0
71.08590	0.4
73.02860	0.4
73.13065	0.4
76.77425	0.4
79.05477	13.8
81.03403	36.3
81.07040	29.3
82.03731	0.4
82.07338	0.6
83.04979	3.7
83.08604	12.3
85.02855	1.3
85.06505	1.9
91.03960	0.4
91.04932	0.6
91.05466	11.3
93.07028	21.3
95.04950	11.7
95.07999	0.5
95.08587	7.5
97.02841	1.3
97.06509	4.5
97.10109	1.5
99.08039	1.2
105.07016	6.9
107.04935	2.8
107.08578	12.3
109.06486	2.3
109.10139	1.9
111.04391	0.8
111.08060	6.7
111.11657	0.5
113.05954	0.6
113.09561	0.6
115.05433	0.9
117.06973	3.4
119.04861	0.5
119.08547	5.4
121.06483	1.7
121.10123	9.0
123.04388	0.5
123.07998	1.0
123.11620	1.0
125.09598	0.9
129.06985	3.9
131.07643	0.5
131.08557	7.1
133.06456	1.4
133.10101	4.4
135.08041	0.9
135.11656	3.5
137.09572	0.5
139.11163	0.6
142.07719	1.2
145.10126	0.9
147.07999	1.6
147.11653	4.2
149.09586	2.0
149.13232	13.3
151.11177	0.6
157.10081	4.4
159.11681	5.0
163.11139	0.7
165.12688	1.3
175.11147	4.8
177.12735	2.7
193.10503	0.8
193.12202	11.1
194.12605	0.5
195.13754	3.3
211.13231	1.2
249.14857	0.8
267.15866	43.0
268.16171	1.1
269.17432	48.4
270.17767	0.8
273.14658	0.3
285.16827	0.7
301.20023	0.5
343.22507	0.5
417.26309	0.7
435.27386	5.3
443.27859	1.2
453.28494	1.1
461.28918	100.0
462.29196	5.7
479.30045	3.6
503.30103	1.8
511.32635	1.6
587.32147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01879	0.7
55.05498	3.6
57.07054	1.0
58.42891	0.5
60.08147	0.9
63.86589	0.5
65.03910	0.7
67.05495	5.4
69.07064	4.6
69.72000	4.3
71.04974	0.5
71.08613	0.6
79.05481	4.3
81.03400	1.1
81.07048	7.2
83.04964	0.7
83.08604	3.3
83.35502	0.5
86.09697	3.9
91.05472	5.2
93.07026	8.2
95.04953	2.1
95.08593	8.2
97.06522	3.1
97.10140	0.9
98.98534	0.6
103.05423	0.7
105.07015	8.8
107.08582	10.9
108.08907	0.9
109.06459	1.5
109.10149	6.8
111.08109	0.8
117.06996	3.1
119.08560	11.1
120.08914	0.7
121.06512	1.1
121.10139	9.7
123.08062	2.0
123.11708	1.6
124.99958	3.1
125.09605	1.0
128.06221	1.0
129.07016	2.7
131.08542	7.3
133.06459	4.4
133.10101	11.0
135.08054	1.8
135.11671	5.8
137.09604	1.2
141.06976	1.8
142.07704	1.0
143.08543	5.5
145.10107	10.0
147.08034	11.4
147.11656	5.7
149.09558	3.4
149.13254	2.1
151.11145	0.9
153.09113	1.2
155.08559	2.9
156.09280	1.7
157.10106	7.8
159.11664	10.1
161.09595	2.5
161.13249	5.5
163.07466	0.7
163.11169	1.4
163.14824	0.6
165.09035	0.8
165.12749	0.7
167.08562	2.0
167.10585	0.6
167.65248	0.5
168.09358	0.6
169.10094	9.0
169.11449	0.8
170.10846	3.3
171.11671	10.4
172.12386	0.8
173.09610	1.7
173.13234	10.8
175.11200	1.6
175.14818	2.1
177.12756	1.6
179.10634	1.1
181.10074	4.0
183.11665	7.1
184.07323	15.9
185.09697	0.9
185.13229	20.5
186.13647	0.6
187.11163	1.6
187.14780	7.3
189.12785	1.6
189.16441	1.1
191.10599	0.7
193.10219	1.4
193.12227	1.8
195.11690	4.9
196.12433	1.3
197.13246	6.3
199.11232	1.3
199.14757	4.6
201.12802	1.5
201.16362	1.8
203.14238	0.9
205.12288	1.2
206.11014	0.7
207.11678	1.8
207.13803	0.8
208.12361	0.7
209.13239	3.9
210.13904	0.9
211.11249	1.3
211.14775	5.1
213.12700	1.9
213.16368	3.6
215.10724	0.9
215.14386	1.4
215.17801	0.8
217.12166	0.7
217.15674	0.7
219.11818	1.1
219.13794	3.1
221.13354	3.0
221.15204	0.9
222.14041	0.9
223.14786	4.4
225.12808	0.9
225.16324	4.3
227.14407	0.9
227.17923	2.7
229.15974	0.7
231.13756	1.7
233.13179	1.6
233.15294	1.4
235.11256	0.7
235.14790	3.6
237.16360	9.1
238.16808	0.7
239.14374	0.8
239.17888	8.2
241.19545	1.0
243.13768	0.8
245.13235	0.7
245.15466	1.7
245.56784	0.6
247.14700	1.7
248.15572	0.6
249.16347	1.8
250.16957	0.7
251.17938	3.9
253.19455	7.7
259.14771	1.2
260.15778	0.7
261.16379	2.1
263.18033	3.1
265.16010	1.3
265.19589	2.4
271.16885	1.1
273.16092	1.1
273.18701	1.2
275.17828	1.8
276.18475	0.7
277.19504	2.4
279.15976	2.6
279.20917	0.6
283.17078	2.8
285.18454	2.4
289.16483	0.7
289.19489	3.1
291.17926	0.7
291.21054	2.8
293.18988	2.2
293.22354	0.8
297.18433	1.4
299.20044	1.8
301.19351	0.8
303.21088	1.8
309.18481	0.9
313.19272	0.9
317.18942	1.6
317.22598	2.5
319.20621	2.2
321.18750	0.8
323.19968	1.1
331.20557	1.0
335.19876	0.9
337.21478	1.0
344.24841	0.8
345.25793	1.0
347.27332	0.6
349.21317	1.3
359.23279	1.3
359.27316	11.4
360.27563	0.6
361.28815	1.8
363.23145	1.2
369.25745	2.8
371.27115	1.2
375.23264	0.7
377.28336	1.8
383.22162	0.9
387.26767	12.6
388.27402	1.0
389.28329	2.2
390.25443	1.1
391.22604	0.9
405.27847	44.3
406.28229	3.0
407.29431	1.9
415.26019	3.6
417.27765	1.8
419.29413	9.6
421.23752	0.7
423.29166	2.8
433.27341	100.0
434.27890	5.6
435.28897	1.9
451.28387	7.0
452.28659	0.6
461.26663	1.8
463.28360	2.1
465.29959	38.7
466.30414	2.3
477.30084	0.9
479.27713	43.8
480.28232	2.9
493.29422	3.3
495.30960	2.9
504.37744	1.1
511.30368	2.1
525.32019	11.9
526.32562	0.8
555.32544	0.7
571.32520	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	708.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01861	2.4
55.05231	0.8
55.05503	16.9
57.03432	12.6
57.07062	1.6
59.04991	2.0
61.02922	5.3
65.03934	1.8
66.91698	0.7
67.05496	69.3
68.05810	0.8
69.03419	5.5
69.07056	11.3
71.04983	30.1
71.05375	1.7
71.24742	0.6
73.02901	2.1
73.06570	1.0
79.05479	31.6
81.03409	50.4
81.07045	100.0
82.03757	0.8
82.07374	1.6
83.04971	13.3
83.08610	23.5
85.02893	19.1
85.06536	10.8
87.04478	1.3
91.03947	2.2
91.05465	43.3
92.05815	0.9
93.07031	31.6
95.04951	23.4
95.08598	15.6
97.02875	5.9
97.06529	8.6
97.10159	5.2
98.20634	1.3
99.04436	1.0
99.08100	1.9
105.07018	26.8
107.04955	7.3
107.08583	19.7
109.06500	6.7
109.10139	11.7
111.04449	3.1
111.08066	12.1
113.05990	3.1
115.05485	0.9
117.06977	6.5
119.08569	19.4
121.06503	2.5
121.10134	12.4
123.08084	2.4
123.11688	15.5
125.09631	2.3
127.03856	1.0
127.07536	1.6
128.06186	0.8
129.06996	8.8
131.08559	16.2
133.06482	2.3
133.10109	27.7
134.10507	1.4
135.08020	1.4
135.11670	4.4
137.05977	0.8
137.09633	2.1
142.07780	1.9
143.08566	1.5
145.10095	2.2
147.08031	3.7
147.11670	14.6
149.09625	5.3
149.13237	9.1
151.11185	8.5
157.10101	12.6
158.10529	0.8
159.11658	5.4
161.13321	0.9
163.11195	1.8
165.12724	3.0
169.12253	1.5
171.08058	0.8
171.11639	1.0
173.13281	0.8
175.11168	14.3
177.12759	2.9
183.13792	2.8
187.13237	5.6
189.11192	0.7
193.12207	33.5
195.13710	4.0
201.14877	1.1
209.11739	0.8
211.13252	28.5
212.13701	0.8
213.14804	1.4
225.14842	3.6
227.12759	1.1
229.14310	2.3
243.15947	4.0
245.38498	0.7
249.14861	1.3
251.16518	1.0
253.18033	2.1
257.17514	2.6
267.15887	24.9
268.16269	1.1
269.17465	22.3
274.25870	0.7
275.19827	1.1
283.15408	1.4
285.16922	18.2
301.16760	1.1
301.20044	21.9
349.23767	3.8
369.24207	1.0
387.24908	1.5
417.26398	4.0
421.25476	0.8
433.29611	0.8
435.27420	32.7
436.27725	1.2
439.26721	1.5
443.27618	3.9
445.24362	1.3
453.28415	64.6
454.28827	4.3
461.28922	68.4
462.29276	4.6
467.30145	8.9
479.29993	64.7
480.30054	4.1
493.31979	4.4
511.32706	50.8
512.33063	3.9
623.33875	1.4
642.66089	0.9
655.36603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
53.04152	1.8
55.01863	6.7
55.05502	35.4
57.03426	18.9
57.07063	2.2
60.90174	1.1
61.02904	2.9
65.03926	2.7
67.05493	84.8
68.05824	1.8
69.03419	21.8
69.07057	20.9
71.01337	1.5
71.04987	9.1
72.50939	1.1
73.02905	3.0
77.03954	1.7
79.05005	2.7
79.05477	60.1
81.03405	100.0
81.07042	78.3
81.07531	2.6
82.07375	2.0
83.04972	34.6
83.05470	2.0
83.08605	26.0
85.02891	24.7
85.06524	4.5
87.04453	1.5
91.05468	48.8
92.05798	1.4
93.07028	65.0
94.07378	1.3
95.04953	32.6
95.08590	49.4
96.08919	2.1
97.02879	17.8
97.06519	10.3
97.10148	8.5
99.04448	4.7
99.08087	2.9
105.04531	1.3
105.07012	37.0
106.07321	1.5
107.04955	8.3
107.08575	35.1
107.09305	1.7
109.02841	8.8
109.06490	9.8
109.10133	22.1
111.04433	16.7
111.08064	12.9
113.05977	1.5
115.05434	2.9
117.07000	13.3
119.08566	30.9
121.06484	4.1
121.10125	29.5
123.04423	1.5
123.08067	6.2
123.11682	8.5
125.09626	4.9
127.03909	8.1
128.06221	2.3
128.32193	1.3
129.05478	9.3
129.06970	14.4
131.08543	27.9
133.06485	4.1
133.10107	23.8
135.08032	4.6
135.11674	17.5
137.09599	3.2
137.13141	1.2
142.07753	2.4
143.08543	6.2
145.06471	3.2
145.10109	17.2
147.04404	1.3
147.08026	4.6
147.11668	23.3
148.11931	1.4
149.09584	6.2
149.13251	7.0
151.07504	1.6
151.11107	1.9
153.12718	4.3
155.08539	3.6
157.10110	14.3
159.08052	3.0
159.11668	7.6
161.09613	2.1
161.13264	5.2
163.11090	6.3
163.14864	2.7
165.12732	5.2
169.10104	3.3
171.07898	1.4
171.11659	5.3
173.09641	3.0
173.13200	6.9
175.11150	15.4
175.14812	3.1
181.10674	1.0
181.12131	6.1
183.11662	3.7
185.13261	2.6
187.14810	5.5
189.11252	2.0
191.10664	5.0
193.12206	45.2
194.12663	1.2
195.13855	1.2
197.13297	2.7
199.11111	1.3
199.14784	2.7
201.16389	1.7
211.11220	2.9
211.13248	61.8
213.12845	1.4
216.88214	1.4
227.12695	8.8
229.14371	4.2
243.21057	6.5
249.14868	1.9
259.20609	2.1
261.22110	13.5
267.15872	17.1
270.17712	1.5
276.20380	2.0
277.21173	1.7
282.06409	1.5
283.06195	3.2
283.15323	4.6
285.16904	19.4
299.23688	1.5
301.07440	1.9
301.21790	1.4
303.23114	2.4
315.23187	2.0
317.24792	2.5
335.25757	64.3
336.26135	2.1
337.16449	2.0
337.27390	4.2
339.22934	1.6
345.24100	1.4
351.23102	3.4
355.17477	3.2
363.24857	1.2
369.24176	5.7
387.25269	3.5
405.26196	3.7
411.19934	1.5
419.27835	1.3
427.19324	1.8
429.21176	18.6
435.32803	2.8
443.27762	3.4
461.29022	3.2
471.34296	1.7
479.29752	2.5
527.37140	14.9
543.36066	1.5
545.38232	79.0
546.38226	2.1
563.38861	2.2
653.39783	5.3
671.40961	4.3
689.42480	30.4
707.42682	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	707.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
55.01869	7.2
55.05501	29.2
56.49682	1.2
57.03429	16.7
57.07058	2.7
59.04993	1.3
61.02908	2.3
65.03918	4.6
67.05493	74.8
68.05845	1.7
69.03424	21.5
69.07056	23.1
70.10426	7.8
71.01340	1.4
71.04975	7.8
73.02901	2.4
79.05480	53.6
81.03407	100.0
81.07040	81.2
81.07536	2.1
81.07753	1.6
83.04497	2.2
83.04965	33.4
83.08607	27.5
85.02891	20.3
85.06510	4.3
86.09689	2.5
87.04450	1.4
91.04906	2.7
91.05466	49.5
93.07026	57.4
93.94861	1.2
95.04953	27.7
95.08594	52.8
97.02878	23.5
97.06509	9.2
97.10159	8.8
99.04437	5.9
99.08047	1.5
105.07014	39.4
107.04928	8.1
107.08572	31.9
109.02843	10.2
109.06494	6.2
109.10141	23.3
111.04436	11.7
111.08070	13.4
113.05939	1.7
115.05451	3.7
117.07003	13.6
119.04969	1.7
119.08567	30.3
121.06479	3.9
121.10128	28.6
123.04418	1.7
123.08042	4.8
123.11691	8.7
125.09612	5.3
127.03882	8.6
128.06180	2.4
129.05460	10.9
129.06972	13.7
131.08553	25.4
133.06462	3.9
133.10110	26.5
135.08067	3.4
135.11656	17.5
137.05898	1.8
137.09628	4.0
137.13257	1.6
139.11217	1.9
142.07730	4.3
143.08563	5.4
145.06448	2.8
145.10103	18.3
147.08051	4.5
147.11664	25.0
149.09579	9.2
149.13222	7.0
153.12740	3.7
155.08542	3.2
157.10098	14.9
159.08006	2.0
159.11627	9.4
161.09660	2.3
161.13232	5.7
163.11206	7.3
163.14807	1.9
165.12749	5.1
167.08534	1.9
169.10130	2.1
171.11655	4.8
173.13225	8.2
175.11171	14.8
175.14774	1.7
181.10013	1.6
181.12233	6.3
183.08046	1.6
183.11597	3.0
184.07314	5.4
185.09782	1.5
185.13228	4.0
187.14764	3.3
189.11130	1.9
189.12766	1.8
191.10672	4.6
193.12222	47.6
195.11595	1.9
197.13039	1.5
199.14670	1.4
209.11626	1.6
211.13252	70.4
227.12779	9.4
229.14230	6.1
233.22229	1.4
237.12300	1.4
243.21049	2.1
249.14626	2.0
259.20572	2.4
261.22211	10.5
267.15860	15.3
277.21530	2.6
283.15323	4.2
285.16922	20.5
301.14011	1.5
303.23199	2.6
306.78418	1.4
315.22989	1.5
317.24670	2.5
319.22745	1.7
325.68948	1.4
327.23245	2.4
335.25742	62.3
336.26050	2.7
337.16217	1.6
337.27237	4.8
351.23166	2.3
355.17450	3.6
369.24265	4.8
386.90881	1.3
387.25177	3.8
405.26385	4.1
411.20151	2.8
429.21069	13.2
435.32285	1.4
443.28156	2.0
453.33444	2.3
461.28680	3.7
479.30228	3.1
527.37256	15.8
545.38342	66.8
546.38831	3.5
563.38824	2.6
569.38043	2.1
615.40100	1.8
641.40649	1.9
653.40417	4.8
671.40955	4.8
689.42426	30.9
707.44568	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	707.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.3
55.01860	9.1
55.05499	32.1
55.16061	1.5
55.77875	1.6
57.03423	20.1
57.07059	3.3
59.04993	1.9
60.42717	1.4
61.02900	3.1
63.62696	1.3
65.03937	4.4
67.05494	84.0
69.03418	23.6
69.07056	23.7
69.56519	1.3
70.94900	4.9
71.01309	1.7
71.04971	10.3
71.08611	3.1
73.02892	2.5
76.30294	1.8
77.00954	1.3
79.05482	58.0
81.03403	100.0
81.07040	87.2
81.07529	3.9
83.04961	29.0
83.08603	29.5
85.02887	16.1
85.06532	5.7
87.04428	1.8
91.03917	1.5
91.05462	54.0
92.05800	1.8
93.07029	68.4
95.04955	39.8
95.08595	57.6
96.08939	1.9
97.02876	20.7
97.06516	8.9
97.10146	10.5
99.04465	5.1
99.08091	2.0
103.05483	1.4
105.04502	2.6
105.07011	38.9
107.04945	12.4
107.08575	34.8
108.08933	1.8
109.02868	13.0
109.06530	9.8
109.10133	26.9
111.04437	12.3
111.08060	12.4
115.05428	2.4
117.07006	16.4
119.04909	2.7
119.08569	35.4
121.06491	6.6
121.10124	27.7
123.04419	5.8
123.08074	7.6
123.11696	8.4
125.06025	1.5
125.09608	6.7
127.03905	7.9
128.06210	3.5
129.05499	7.8
129.06972	17.5
131.04913	2.6
131.08536	29.9
133.06476	6.5
133.10103	23.3
135.08047	5.9
135.11674	18.9
137.06032	2.2
137.09592	5.3
137.13252	2.4
139.11177	2.0
141.07004	3.2
142.07799	3.3
143.08540	8.1
145.06462	2.9
145.10109	21.9
147.04375	3.3
147.08044	4.9
147.11659	23.6
149.05936	3.0
149.09598	9.9
149.13217	8.3
151.11165	1.9
153.12759	4.3
154.07788	1.6
155.08533	5.8
157.10107	15.8
159.08041	4.1
159.11668	13.4
161.06000	2.8
161.09634	3.0
161.13246	6.6
163.11180	11.9
163.14793	5.0
165.12724	5.1
167.08537	2.5
169.10052	7.0
171.08025	3.4
171.11647	6.3
173.02692	1.6
173.04343	2.2
173.09572	4.0
173.11867	2.1
173.13258	7.0
175.07742	2.0
175.11169	12.1
175.14781	3.7
177.89957	1.7
181.10089	3.0
181.12253	6.7
183.11725	5.2
184.07332	2.3
185.09618	2.5
185.13297	6.0
187.11296	1.6
187.14821	4.7
189.05551	1.6
189.09286	2.1
189.11076	3.1
189.16496	2.0
191.10643	5.6
193.10440	1.4
193.12195	36.5
195.11749	3.2
195.13786	1.4
197.13266	3.3
199.11185	1.9
199.14894	1.6
205.12292	2.1
205.15846	2.1
211.11238	3.4
211.13235	51.3
211.15089	2.7
213.12790	1.9
219.13898	2.1
227.12688	11.7
229.14326	5.9
235.13089	3.7
243.21178	4.2
249.14772	3.5
257.19046	1.8
259.20541	3.8
261.22092	10.8
267.15854	23.1
273.18680	2.0
273.22018	2.7
277.21408	2.5
279.23175	2.1
283.15402	5.3
285.16946	20.1
285.22116	2.2
301.14209	3.5
301.21628	2.5
303.22989	2.5
309.17029	3.2
317.24747	2.2
319.15213	2.2
333.24512	1.9
335.25775	39.3
337.27332	6.0
345.24203	2.4
351.23138	4.8
355.17175	3.2
369.24216	7.2
387.25275	5.5
405.26263	3.6
411.20132	3.6
413.17685	2.9
425.96484	1.7
429.21194	13.7
435.32495	2.1
443.27881	2.9
446.23486	3.0
446.74017	2.5
453.33673	1.8
461.28784	4.7
479.30069	4.1
527.37207	15.8
543.36115	1.7
545.38269	53.3
546.38397	3.6
557.38013	2.3
569.38153	5.8
611.39276	3.2
615.38739	1.8
635.39124	4.7
653.40289	9.7
671.41980	8.8
689.42249	26.8
690.42493	2.7
707.40448	27.1
708.40149	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	707.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47060	0.2
55.05484	0.5
57.03436	0.3
57.05767	0.3
57.07053	0.3
67.05493	1.2
69.07061	0.5
70.07332	0.3
70.52844	1.0
79.05469	0.7
81.07045	1.1
86.09698	1.6
87.04460	0.7
91.05461	0.5
93.07030	0.8
95.04959	0.3
95.08609	1.0
105.07002	0.5
105.31287	0.2
107.08585	0.5
114.20082	0.3
114.89709	0.3
115.46378	0.2
119.08543	0.5
121.10068	0.4
125.00004	0.9
131.08594	0.6
131.34261	0.3
133.10100	0.4
155.00139	0.3
157.10089	0.3
159.11790	0.4
180.14236	0.3
184.07312	4.6
184.08870	0.3
185.07729	0.7
256.50366	0.2
273.22128	0.3
365.23325	0.3
369.31665	0.3
535.26501	0.6
545.39056	0.3
554.84296	0.3
595.47516	0.6
609.44678	0.4
698.03705	0.3
707.37518	100.0
708.37665	2.7
710.76947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83147	1.3
53.03944	7.6
55.01860	7.6
55.05502	35.4
57.03425	16.7
57.07061	10.1
59.04996	3.1
61.02909	1.7
61.41829	1.4
65.03934	5.6
67.05492	82.4
67.71599	1.6
68.05812	1.9
69.03416	26.2
69.06730	1.7
69.07058	18.5
71.01350	1.4
71.04967	13.3
71.08639	1.7
71.79574	2.4
72.55982	1.5
73.02895	2.6
77.88584	1.5
79.05479	64.2
81.03407	100.0
81.07040	89.0
81.07536	3.4
83.04966	35.2
83.08607	34.1
85.02893	21.6
85.06514	3.9
86.09686	2.1
87.04453	54.0
88.04781	5.0
91.05467	54.5
93.07030	63.5
95.04948	36.5
95.08591	55.4
97.02885	17.6
97.06499	13.8
97.10148	9.7
99.04447	4.8
99.08071	3.7
103.05466	2.1
105.07012	46.3
107.04963	10.2
107.08574	36.7
109.02869	12.2
109.06475	11.6
109.10126	25.2
110.47129	1.5
110.53079	1.4
111.04427	18.4
111.08070	16.0
113.05980	2.9
115.05433	2.6
117.06995	15.7
119.07714	2.6
119.08570	42.7
121.06512	8.3
121.10127	33.9
123.08038	5.2
123.11726	10.9
125.09563	3.9
127.03891	7.3
128.06210	2.0
129.05510	7.4
129.06987	16.8
131.04871	3.1
131.08551	31.2
133.06473	5.2
133.10110	29.2
135.08047	6.2
135.11671	18.7
137.09615	5.2
141.06897	2.5
142.07736	4.7
143.08528	8.7
145.06467	4.1
145.10109	20.9
147.08022	6.6
147.10519	3.1
147.11641	29.9
148.11946	1.7
149.09596	11.2
149.13225	8.0
151.11145	3.6
153.12737	4.8
155.08517	4.4
157.06494	1.9
157.10088	21.3
159.11708	14.8
161.09537	2.7
161.13226	5.7
163.07484	1.8
163.11154	10.8
163.14821	4.9
164.51515	2.0
165.12753	6.6
165.47285	1.5
169.10091	5.5
171.11650	6.6
171.50275	1.9
173.09613	5.0
173.13245	9.8
175.11163	14.5
175.14711	3.2
177.12708	2.3
181.10060	3.1
181.12190	7.6
183.07991	1.7
183.11639	4.2
184.07327	6.9
185.13216	5.2
187.11162	2.4
187.14781	4.4
189.11171	2.1
191.10672	6.4
193.12218	41.9
195.11803	2.5
197.13182	4.4
199.11195	1.7
199.14816	3.3
201.12703	2.8
201.16321	1.9
209.11656	2.4
211.13240	66.8
213.14784	3.1
217.15781	2.3
219.12347	2.3
225.12791	2.7
227.12708	13.8
229.14268	7.5
233.15416	3.4
233.18707	1.9
249.14880	2.6
251.76668	1.6
259.20560	2.5
261.22110	11.9
267.15836	19.9
273.22174	2.3
277.21664	4.3
278.21631	2.2
279.22934	2.6
283.15359	6.3
285.16940	27.4
289.21570	1.9
299.23615	1.6
301.21613	3.5
301.25171	2.1
303.23206	3.2
315.22919	3.3
327.23160	2.4
335.25772	37.8
337.27347	5.5
341.24564	1.7
345.24103	2.9
351.23169	6.1
353.15781	2.2
355.17383	3.5
357.24307	2.3
369.24194	9.9
387.25146	7.8
389.26608	2.1
405.26431	2.5
424.96835	1.7
425.26614	1.9
427.19424	2.7
429.21182	17.4
434.71869	1.7
435.32474	3.0
443.27713	5.6
453.33359	3.9
461.28827	5.9
471.34091	1.7
479.30103	3.5
509.58749	1.8
527.37183	23.1
543.36780	2.6
545.38293	63.3
546.38873	3.4
561.36664	2.3
583.42975	1.9
587.38409	1.8
595.47406	2.1
635.39441	2.3
653.40070	14.5
671.41620	11.1
689.31250	2.6
689.42346	33.7
707.46100	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	707.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77052	0.3
57.03405	0.5
60.42022	0.3
64.41530	0.3
69.03419	0.7
70.54620	0.4
70.54951	1.3
82.99876	1.0
85.02882	1.2
94.99811	0.4
97.02874	1.0
98.20824	0.5
101.00841	2.0
109.01419	0.4
113.00880	0.5
119.01903	10.4
120.02040	0.4
122.01421	0.7
127.02382	1.1
127.03891	0.7
130.08684	0.4
131.01909	6.0
131.51933	0.6
137.01868	3.0
137.02934	2.3
137.51936	0.4
138.01724	0.3
140.02382	0.4
142.03539	0.5
143.00758	0.7
143.01884	14.1
143.51953	0.7
144.01933	0.4
145.03456	6.1
147.01384	0.8
149.01900	0.8
149.02940	0.7
152.02452	2.2
155.01874	7.7
157.03429	3.1
158.02383	1.1
161.02934	17.5
162.03072	0.6
163.04500	1.3
164.02397	0.7
167.01849	4.6
167.02985	0.5
169.03487	1.7
171.03650	0.3
171.05005	2.0
173.02948	20.8
173.53020	1.3
174.02988	0.6
175.03163	0.4
175.04538	1.7
179.01883	1.5
181.03458	0.4
182.03458	1.0
184.04539	0.6
185.02937	33.7
186.03114	0.9
187.04523	4.0
191.03928	1.2
193.03625	0.6
194.03477	0.6
196.04506	0.7
196.45563	0.3
197.02951	12.8
199.04494	0.8
201.02582	0.4
203.03955	12.6
203.54132	0.5
204.04117	0.7
208.04472	1.1
209.02916	1.2
212.04652	0.4
215.03996	8.8
216.04147	0.5
221.05008	0.9
222.38506	0.4
223.55159	0.4
224.04703	0.5
226.05464	0.4
227.03983	7.8
228.04094	0.4
233.04988	0.6
239.04039	1.1
245.05045	100.0
246.05244	5.2
254.05620	0.5
257.05011	5.2
259.50174	0.3
261.02863	0.5
263.06107	13.7
264.06479	0.6
269.04965	0.4
275.06100	11.6
276.06232	0.7
283.06921	0.4
284.06650	3.8
284.56677	1.7
286.07687	1.3
287.06107	0.4
293.07108	4.0
305.07141	14.6
306.07349	0.8
317.07169	0.8
323.08408	0.5
335.08191	4.2
347.08136	1.0
362.09418	0.4
364.59396	1.1
365.09268	42.9
365.59341	2.1
366.09482	2.8
383.10376	2.1
406.12140	0.8
407.10324	0.9
419.10141	0.4
425.11365	44.1
426.11679	2.4
437.11383	3.1
455.12479	3.9
485.13144	1.4
509.12827	0.4
535.65973	0.7
707.18323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.3
70.06580	2.6
70.17924	0.3
70.39464	1.2
70.39819	0.3
71.06905	0.3
81.03389	0.6
82.99883	0.8
85.02861	0.6
85.55405	0.3
94.92986	1.4
94.99831	0.5
95.61684	0.4
96.92797	0.4
97.02841	0.4
98.97546	0.6
101.00835	1.6
109.02870	0.3
112.89597	0.5
113.00850	0.3
114.09110	1.2
119.01070	0.4
119.01901	8.8
119.78726	0.3
127.02422	0.4
127.03815	0.3
130.08524	0.3
131.01881	2.4
133.03423	0.3
134.99570	0.3
137.01926	0.5
137.02904	2.2
139.03886	0.4
143.01871	10.3
144.01895	0.5
145.03448	5.4
147.01366	0.8
149.02966	0.3
151.03812	0.6
152.02374	0.4
154.41353	0.3
155.01863	6.8
157.03429	3.0
160.09651	1.8
160.94031	0.3
161.02939	17.3
162.03052	0.7
163.04543	1.4
167.01848	3.9
169.03456	1.7
171.05032	2.0
173.02937	13.7
174.03078	0.5
175.04478	1.2
177.02390	0.3
179.01884	1.7
179.03299	0.5
179.53131	0.3
181.03412	0.5
184.04497	0.8
185.02924	30.4
186.03040	1.2
187.04544	3.5
189.06041	0.4
191.03996	0.8
196.04594	0.4
197.02927	10.9
198.03070	0.6
199.04500	0.7
203.03905	9.5
205.03033	0.3
205.05559	0.5
208.04504	1.2
209.02888	0.9
215.03976	8.4
216.04129	0.3
220.04529	0.4
221.05022	0.8
222.97565	0.4
226.05557	0.6
227.03979	7.4
233.05045	0.6
237.02586	0.3
239.04004	0.7
242.72618	0.3
243.01732	0.3
244.90085	0.6
245.05031	100.0
246.05228	5.9
246.89848	0.4
257.05011	5.1
258.05209	0.5
263.06091	12.8
264.06342	0.5
274.04626	0.4
275.06076	12.2
276.06302	0.8
279.03806	0.4
284.06586	0.9
286.07666	1.5
287.05753	0.4
293.07120	3.1
294.07071	0.3
294.96967	0.4
296.02237	0.4
300.86746	2.4
302.86633	2.2
305.07108	13.4
306.07260	1.0
316.08752	0.4
317.07120	0.7
326.84671	2.9
328.84552	3.0
329.07028	0.3
335.08188	3.1
347.08206	1.3
364.81915	0.4
365.09268	41.4
366.04764	0.5
366.09357	2.7
381.07391	0.4
383.10196	2.8
389.09409	0.4
401.14362	0.4
406.11954	0.6
407.10364	0.8
425.11349	42.7
426.11618	3.1
437.11249	3.1
449.11371	0.3
455.12338	4.0
485.13705	1.4
545.13678	0.4
556.62927	0.3
707.18890	4.7
708.17975	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	706.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.1
54.23667	0.1
55.01851	0.1
55.05499	0.4
56.05027	0.7
57.03421	0.2
57.07065	0.4
58.06604	0.5
59.07092	0.1
59.07365	0.2
60.08152	6.4
65.03891	0.1
67.05491	1.2
69.03399	0.3
69.07044	0.3
70.06585	0.1
70.84344	0.1
71.04964	0.2
71.07358	3.0
71.08611	0.1
71.96773	0.1
79.05476	0.7
80.05795	0.1
80.97398	0.1
81.03399	0.9
81.07040	1.1
83.04972	0.4
83.08587	0.3
84.08109	0.1
85.02872	0.3
85.06535	0.1
86.09690	31.0
87.04451	1.0
87.10025	0.4
91.05470	0.8
93.07025	0.7
95.04952	0.4
95.08586	0.8
97.02870	0.1
97.10144	0.2
98.98444	2.6
104.10719	2.4
105.07020	0.6
107.04943	0.1
107.08575	0.5
108.08868	0.1
109.06489	0.1
109.10155	0.4
111.04412	0.2
116.51768	0.1
117.07001	0.2
119.08544	0.4
121.06492	0.2
121.10149	0.4
123.11695	0.1
124.99979	20.0
125.09612	0.1
126.00353	0.1
127.03922	0.1
129.06976	0.2
131.08548	0.3
133.10120	0.3
135.11662	0.2
139.25122	0.1
143.01004	0.4
143.08531	0.1
145.10150	0.3
146.10359	0.1
147.08005	0.1
147.11641	0.3
149.09590	0.1
157.10132	0.1
159.11711	0.1
165.12733	0.2
166.02634	0.2
175.11105	0.1
184.07309	100.0
185.07678	1.1
193.12241	0.3
201.16222	0.1
211.13182	0.5
227.12798	0.2
267.15909	0.1
277.21661	0.1
285.17090	0.1
335.25732	0.6
429.21201	0.1
496.34296	0.2
527.37201	0.1
544.35809	0.2
545.38190	0.5
688.45624	0.1
689.42865	0.3
706.46838	8.7
707.47827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.3
70.06580	2.6
70.17924	0.3
70.39464	1.2
70.39819	0.3
71.06905	0.3
81.03389	0.6
82.99883	0.8
85.02861	0.6
85.55405	0.3
94.92986	1.4
94.99831	0.5
95.61684	0.4
96.92797	0.4
97.02841	0.4
98.97546	0.6
101.00835	1.6
109.02870	0.3
112.89597	0.5
113.00850	0.3
114.09110	1.2
119.01070	0.4
119.01901	8.8
119.78726	0.3
127.02422	0.4
127.03815	0.3
130.08524	0.3
131.01881	2.4
133.03423	0.3
134.99570	0.3
137.01926	0.5
137.02904	2.2
139.03886	0.4
143.01871	10.3
144.01895	0.5
145.03448	5.4
147.01366	0.8
149.02966	0.3
151.03812	0.6
152.02374	0.4
154.41353	0.3
155.01863	6.8
157.03429	3.0
160.09651	1.8
160.94031	0.3
161.02939	17.3
162.03052	0.7
163.04543	1.4
167.01848	3.9
169.03456	1.7
171.05032	2.0
173.02937	13.7
174.03078	0.5
175.04478	1.2
177.02390	0.3
179.01884	1.7
179.03299	0.5
179.53131	0.3
181.03412	0.5
184.04497	0.8
185.02924	30.4
186.03040	1.2
187.04544	3.5
189.06041	0.4
191.03996	0.8
196.04594	0.4
197.02927	10.9
198.03070	0.6
199.04500	0.7
203.03905	9.5
205.03033	0.3
205.05559	0.5
208.04504	1.2
209.02888	0.9
215.03976	8.4
216.04129	0.3
220.04529	0.4
221.05022	0.8
222.97565	0.4
226.05557	0.6
227.03979	7.4
233.05045	0.6
237.02586	0.3
239.04004	0.7
242.72618	0.3
243.01732	0.3
244.90085	0.6
245.05031	100.0
246.05228	5.9
246.89848	0.4
257.05011	5.1
258.05209	0.5
263.06091	12.8
264.06342	0.5
274.04626	0.4
275.06076	12.2
276.06302	0.8
279.03806	0.4
284.06586	0.9
286.07666	1.5
287.05753	0.4
293.07120	3.1
294.07071	0.3
294.96967	0.4
296.02237	0.4
300.86746	2.4
302.86633	2.2
305.07108	13.4
306.07260	1.0
316.08752	0.4
317.07120	0.7
326.84671	2.9
328.84552	3.0
329.07028	0.3
335.08188	3.1
347.08206	1.3
364.81915	0.4
365.09268	41.4
366.04764	0.5
366.09357	2.7
381.07391	0.4
383.10196	2.8
389.09409	0.4
401.14362	0.4
406.11954	0.6
407.10364	0.8
425.11349	42.7
426.11618	3.1
437.11249	3.1
449.11371	0.3
455.12338	4.0
485.13705	1.4
545.13678	0.4
556.62927	0.3
707.18890	4.7
708.17975	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	706.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.05505	12.0
57.03146	1.0
57.03428	13.8
59.04986	0.8
61.02909	1.6
62.16880	0.5
65.03923	1.1
67.05495	19.6
69.03414	4.8
69.07064	5.3
70.06574	0.6
71.01354	0.7
71.04972	2.9
71.79662	0.9
73.02909	1.2
74.31516	0.4
79.05019	0.9
79.05481	19.9
81.03405	79.8
81.07044	19.6
81.07533	0.9
82.03725	0.9
83.04967	9.5
83.08608	23.6
84.08961	0.5
85.02894	12.7
85.06516	1.8
86.09723	0.6
86.38688	0.5
91.05469	24.3
92.05807	0.5
93.07030	14.7
95.04954	25.7
95.08597	9.8
97.02882	3.3
97.06512	4.0
97.10159	5.7
99.04443	1.1
99.08087	0.9
103.05462	0.8
105.07013	19.2
107.04944	7.7
107.08575	7.8
108.08918	0.6
109.02853	1.2
109.06509	5.0
109.10139	4.4
111.04462	2.4
111.08066	9.2
112.15437	0.5
113.05975	1.1
114.09139	0.7
115.05441	1.5
116.06203	0.5
117.07013	2.9
119.04922	1.4
119.08566	18.3
121.06483	5.2
121.10124	9.1
123.04417	0.9
123.08065	3.5
123.11631	1.2
125.06054	0.6
125.09609	3.9
127.03893	0.7
128.06229	0.4
129.06989	11.2
130.08664	0.6
131.04926	1.4
131.08554	11.4
133.06464	4.2
133.10115	9.5
135.08020	1.8
135.11653	2.3
137.05962	1.4
137.09615	2.4
141.06938	0.8
142.07762	2.0
143.08522	1.4
145.06480	3.9
145.10121	4.2
147.04404	0.9
147.08025	3.7
147.11667	11.5
149.09584	6.5
149.13275	0.5
151.07547	0.5
151.11189	1.3
153.09079	0.6
155.08540	1.1
157.06450	1.2
157.10109	14.0
159.08124	0.7
159.11681	1.9
161.09584	1.1
163.11093	2.5
165.12697	2.8
168.07132	0.6
169.06413	0.8
169.10059	1.1
171.08012	1.3
171.11682	1.0
173.09581	0.9
175.11174	12.3
177.05527	1.0
183.08067	0.8
183.11653	0.7
183.65881	0.4
185.09547	0.6
185.13235	1.0
189.09093	0.6
189.11194	1.3
193.12222	34.7
194.12508	1.2
195.08035	0.7
195.11700	1.2
197.09657	0.6
197.13199	1.0
205.12241	1.0
209.09702	0.6
211.11229	1.2
211.13239	17.0
211.15123	1.0
213.12801	0.6
215.14368	0.8
217.16003	0.4
219.13739	0.6
225.12758	0.6
227.12799	1.8
229.14360	1.3
231.13823	0.5
233.15366	1.4
243.13759	0.6
249.14813	2.0
255.13774	2.0
259.13336	0.5
267.15869	100.0
268.16150	3.9
273.14868	4.6
276.11676	0.5
283.15384	1.2
285.16916	16.7
299.14932	0.7
309.17126	0.8
339.23215	1.4
341.21033	1.0
349.21576	2.1
367.22620	8.3
368.23227	0.8
385.23679	10.1
386.23715	0.7
403.24731	3.8
405.24390	0.8
415.24701	1.2
419.90613	0.5
423.25204	0.8
433.25793	12.5
434.26141	0.9
440.35907	0.5
441.26227	7.5
459.27374	70.9
460.27737	5.6
477.28439	47.0
478.28745	3.6
491.25760	0.9
509.27603	2.0
519.29504	1.1
585.30249	0.9
593.33191	0.5
706.40869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	0.8
65.03938	0.9
67.05501	0.4
68.99799	1.1
69.83787	2.5
70.06580	100.0
70.85329	0.3
71.06924	1.5
79.05465	0.5
81.03423	1.0
85.02879	0.5
91.05489	0.6
93.03389	0.4
95.04953	1.0
97.02875	0.8
105.03446	0.5
107.54055	0.4
109.02853	0.8
111.04464	0.9
119.04888	0.8
121.02903	0.7
123.04417	4.0
123.24612	0.4
127.03918	0.9
133.02850	0.7
135.04433	1.2
137.05952	5.4
139.03880	15.4
139.04947	0.8
145.06406	0.6
147.04448	1.6
149.02336	0.5
149.05920	0.5
151.03885	13.2
153.05460	0.6
159.04353	0.5
161.05981	1.6
163.03889	3.4
165.05463	12.4
167.03429	0.3
173.06006	1.1
175.03879	1.4
177.05470	1.5
179.03365	15.4
181.05026	0.4
181.06509	0.8
185.06029	0.7
187.03908	1.3
187.07549	0.9
188.06888	0.5
189.01900	0.5
189.05511	1.2
191.03329	0.7
193.04973	0.6
197.05981	0.4
199.07510	0.6
201.05466	2.1
203.03433	1.5
203.06985	0.6
205.04958	0.6
209.06032	0.7
213.05482	1.2
215.07077	1.7
217.05011	1.2
223.07625	0.5
225.05415	0.8
227.07033	2.2
229.04941	3.1
231.06534	0.4
237.05568	1.2
239.07118	1.5
241.05074	1.1
243.06627	1.7
245.04492	0.6
251.07053	1.2
253.05028	0.7
255.06459	1.9
257.04507	0.8
257.08099	1.1
267.06595	1.7
269.08157	0.6
271.05991	7.7
275.05603	0.6
279.06531	2.3
283.06052	4.9
284.06317	0.5
285.07410	2.4
289.07092	2.4
295.05936	3.7
296.06744	0.6
297.07596	2.0
299.05542	1.3
301.07010	11.2
313.07010	9.0
317.06592	2.1
323.05542	0.5
325.06982	9.1
331.08319	0.5
343.07990	2.0
348.88678	0.5
400.14020	1.5
445.09311	1.1
451.10287	0.5
463.10178	2.9
469.10971	0.7
481.11270	5.2
482.11469	0.8
637.15704	1.2
649.15417	6.1
650.15863	0.4
706.21198	39.1
707.21442	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	706.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
54.03459	1.0
55.01867	0.4
55.04246	0.5
56.03822	0.2
56.96551	0.4
58.49251	0.2
61.20990	0.2
65.03936	0.8
67.05513	0.5
68.99773	1.2
69.03421	0.8
70.06582	100.0
70.28075	0.9
71.06916	1.2
71.07255	0.2
73.98270	0.2
79.05479	0.4
81.03413	1.0
81.07047	0.3
85.02903	0.4
91.05491	0.6
93.03384	0.3
93.07066	0.2
94.06551	0.3
95.04974	1.1
96.08108	0.3
97.02885	0.5
97.06548	0.4
98.20782	0.3
98.97602	0.6
105.03393	0.3
107.04969	0.3
109.02870	0.5
109.06513	0.8
111.04442	0.7
116.98595	0.5
119.04952	1.0
120.08111	0.2
121.02876	0.7
123.04417	4.0
127.03898	0.5
128.06195	0.3
131.04948	0.3
133.02872	0.5
134.99634	0.3
135.04416	0.6
137.05960	5.5
137.06985	0.3
138.09164	0.3
139.03879	14.2
140.04210	0.4
140.07036	1.4
146.99727	0.2
147.04449	1.5
148.02658	0.2
149.02345	0.3
149.06027	0.3
151.03888	12.6
152.04234	0.4
153.01888	0.4
153.05505	1.0
157.06589	0.4
158.08086	0.4
159.04359	0.3
161.04861	0.2
161.05954	1.3
163.03902	3.3
164.04675	0.3
165.05463	12.8
167.03372	0.4
167.07074	0.2
171.04410	0.3
173.06013	0.8
175.03886	1.5
177.00719	0.4
177.05470	2.2
179.03371	16.9
180.03769	0.6
180.33218	0.3
181.04988	0.4
181.06525	0.6
185.06068	0.8
187.03864	1.2
187.07579	0.5
189.05519	1.3
191.03433	0.7
193.05022	0.4
197.05960	0.5
199.07573	0.8
201.05455	1.9
203.03365	1.8
203.07088	0.8
205.05019	0.4
209.06027	0.7
211.07521	0.5
213.05557	0.8
215.03615	0.3
215.07028	1.4
217.05005	1.0
223.07611	0.4
225.05519	0.5
227.06944	1.5
228.07460	0.3
229.04938	3.7
231.06607	0.7
237.03012	0.6
237.05542	1.2
239.06944	1.4
241.05002	1.1
241.08617	0.3
243.06560	1.8
245.04494	0.6
251.07004	1.7
253.04935	0.3
255.06522	2.1
257.04507	1.1
257.08017	1.2
259.06122	0.3
261.04196	0.2
265.04932	0.3
267.06375	1.4
268.07236	0.3
269.08145	0.6
271.05991	8.2
272.06476	0.4
275.05554	0.4
279.06445	1.8
281.04480	0.2
283.05988	4.9
283.08871	0.4
285.07532	2.1
287.05603	0.3
289.07062	1.9
295.05920	3.6
295.08691	0.3
296.06790	0.3
297.07623	1.6
299.05408	2.1
301.07007	11.3
302.07336	0.6
313.07037	8.3
313.10440	0.5
314.07501	0.5
315.08710	0.4
317.06476	2.3
323.05630	0.5
325.07013	9.4
326.07315	0.5
331.08124	0.7
337.06940	0.3
338.39999	0.2
343.08044	2.0
400.13834	2.0
443.09766	0.3
445.09378	0.9
451.10327	0.3
463.10248	2.8
464.10986	0.4
469.11557	0.5
481.11243	5.4
482.11890	0.4
550.91132	0.3
637.15808	0.8
649.15430	6.0
650.15991	0.5
706.21204	35.6
707.21466	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01867	3.7
55.05503	17.1
57.03421	5.5
57.07071	0.8
59.04980	0.9
60.32913	0.6
61.02915	13.0
62.73074	0.5
65.03936	1.5
67.05494	27.2
69.03422	9.6
69.07060	8.4
71.01345	1.4
71.04977	3.8
73.02903	5.9
77.03960	0.6
79.05009	0.8
79.05479	21.9
81.03407	10.0
81.07042	26.5
83.04974	4.4
83.08604	10.0
85.02895	10.4
85.06518	2.0
87.04482	1.0
91.03943	5.3
91.05461	17.8
93.01704	0.6
93.07029	20.0
95.04950	10.7
95.08592	16.8
97.02882	7.4
97.06501	3.1
97.10148	10.4
97.10725	1.1
99.04414	2.0
99.08067	0.9
101.02367	1.3
103.05492	0.6
105.07010	15.7
107.04939	4.2
107.08575	14.8
108.05175	0.7
109.02850	2.3
109.06486	4.0
109.10136	9.8
111.04416	1.7
111.08063	3.2
115.03954	0.6
115.05436	1.5
117.06995	12.2
119.04990	0.7
119.08560	15.2
121.06492	5.7
121.10129	7.2
123.04417	0.7
123.08043	3.3
123.11697	2.5
125.05975	0.6
125.09611	9.2
127.03880	2.3
128.06226	2.3
129.05493	0.9
129.06969	8.7
130.07727	0.9
131.04921	0.9
131.08551	17.0
133.06491	2.5
133.10103	9.4
135.08028	5.3
135.11676	4.4
137.09572	2.1
141.06985	2.4
142.07758	1.2
143.08551	9.6
145.04851	1.0
145.06491	3.0
145.10098	14.7
146.39380	0.6
147.08012	2.9
147.11670	4.1
149.09610	2.4
149.13293	0.9
151.11174	1.4
153.09105	1.7
154.20836	0.7
155.08556	4.8
157.06445	1.4
157.10112	7.9
159.08009	3.4
159.11678	10.7
161.09616	2.3
161.13196	3.5
163.11140	3.1
163.14764	0.9
166.07808	0.7
167.08577	2.0
168.09247	0.8
169.10104	7.3
171.08049	1.9
171.11674	8.2
173.09593	3.1
173.13226	6.9
175.11186	2.2
175.14827	1.7
177.12743	1.6
179.08505	1.1
180.09402	0.7
181.10132	3.5
183.11646	5.6
185.09572	1.8
185.13219	5.1
187.11203	2.4
187.13298	1.4
187.14859	1.6
189.09212	0.8
189.11203	5.1
189.12720	0.8
193.10162	1.8
193.12193	1.2
195.11722	3.5
195.13263	0.6
196.12427	0.7
197.09579	0.8
197.13222	3.5
199.11186	1.7
199.14801	2.6
201.12619	1.2
201.16428	1.4
203.10645	0.8
203.14345	1.4
205.10318	1.1
205.12277	0.7
205.15753	0.7
207.11714	1.3
209.13252	2.4
211.11130	1.4
211.14885	1.5
213.12756	1.5
213.16426	1.6
215.14320	0.9
215.18219	0.6
217.15988	0.7
221.13211	1.5
222.16983	0.8
223.14795	2.1
225.12608	1.0
225.16386	0.8
227.12637	5.7
229.56831	0.7
231.13753	0.8
233.15306	1.3
237.16525	0.9
243.15851	1.1
245.13533	0.7
247.16972	1.1
257.19073	1.3
259.20557	1.6
267.15643	1.3
273.15128	0.6
273.18350	1.3
275.20078	2.3
283.20563	2.4
285.22073	0.7
287.20151	0.7
297.22205	1.6
299.20514	0.9
299.23679	5.3
301.21600	1.8
311.19778	0.8
315.19653	0.6
315.23114	0.8
325.21643	1.7
329.21094	1.8
333.24271	1.1
337.21802	1.0
339.23221	1.6
343.22607	2.2
344.13226	0.6
347.22272	0.6
349.23874	1.7
357.24207	1.5
365.24536	0.8
390.42679	0.6
399.25031	0.9
403.24670	2.4
407.24994	0.6
415.29950	1.1
417.26343	2.3
421.25815	8.8
423.32526	1.2
431.27872	0.8
433.30972	4.7
435.27396	8.7
447.27533	0.8
451.32077	7.7
452.32654	0.7
461.28897	1.0
469.33240	3.3
489.33713	0.7
507.34558	1.6
515.37354	1.0
525.35693	25.1
525.43671	1.2
526.35553	1.1
541.34589	0.8
543.36731	100.0
544.37085	4.7
555.36426	1.4
558.53149	0.8
559.34467	0.7
567.36401	1.9
585.37726	1.5
609.37268	1.0
633.37323	1.4
642.23407	0.6
651.38721	1.3
669.39532	2.5
687.41003	5.9
705.41748	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01870	12.5
55.05506	33.4
57.03429	13.8
57.07067	2.8
61.02918	4.4
61.20675	0.9
61.30579	1.0
65.03931	5.5
65.85903	1.0
67.05495	83.4
67.07362	1.3
69.03423	27.2
69.07058	34.7
70.95589	3.6
71.01344	2.6
71.04984	12.3
71.08618	1.1
73.02914	3.8
76.02975	1.1
77.03933	1.3
79.05013	1.9
79.05486	56.9
81.03408	58.1
81.07047	100.0
82.07389	2.0
83.04963	18.6
83.08609	18.9
85.02895	16.4
85.06533	4.9
91.03958	2.5
91.05471	57.0
93.07035	71.9
95.01310	1.0
95.04958	18.5
95.08595	46.3
97.02876	20.1
97.03467	1.9
97.06516	21.2
97.07088	1.7
97.10152	9.5
97.54420	1.1
99.04433	7.5
99.08081	4.0
103.03921	2.3
103.05474	1.2
105.04548	1.9
105.07018	50.4
106.07336	1.7
107.04942	14.7
107.08582	45.3
108.08899	1.2
109.02860	14.3
109.06497	12.7
109.10146	20.6
110.10534	1.4
111.04412	8.6
111.08064	9.0
113.05995	1.4
113.09620	1.4
114.49333	1.0
115.05445	2.8
117.07005	27.0
119.04923	1.7
119.08572	36.2
121.06499	8.8
121.09261	2.2
121.10120	26.2
123.04377	2.9
123.08100	5.3
123.11684	7.4
125.09613	7.9
127.03875	11.4
128.06226	3.9
129.05504	6.0
129.06987	13.0
130.07736	1.2
131.04900	2.6
131.08548	34.6
132.08945	1.3
133.06482	7.6
133.10107	30.5
134.10484	1.8
135.08038	10.1
135.11685	12.8
137.05988	3.5
137.09602	5.3
137.13284	1.9
139.11209	1.6
141.06987	4.8
142.07735	3.5
143.08545	13.1
145.04924	2.2
145.06465	4.7
145.10112	24.4
147.08054	5.7
147.11668	19.0
149.09616	15.0
149.13240	15.4
151.07550	2.3
151.11186	3.4
153.07019	1.2
155.08514	10.1
156.09241	1.5
157.06488	2.3
157.10115	14.3
159.08015	5.7
159.11670	22.3
161.09583	3.4
161.13251	7.4
163.11183	9.5
165.09148	1.8
165.12730	3.6
167.08582	1.9
169.10100	10.2
171.08029	4.0
171.11618	9.8
173.04434	16.0
173.09645	4.5
173.11945	1.9
173.13229	10.5
175.07480	1.5
175.11194	5.8
175.14815	2.6
177.12720	7.6
179.08546	2.3
179.14288	2.0
181.10132	3.5
183.07993	1.2
183.11667	7.2
184.07373	1.7
185.09584	2.8
185.13226	7.6
187.11192	5.3
187.14848	3.6
189.11250	4.0
189.12799	2.4
191.10645	2.5
193.10202	1.9
193.12132	1.4
195.11702	4.3
195.13831	8.2
197.09612	1.9
197.13315	6.4
199.05998	2.0
199.11269	2.6
199.14775	4.0
201.12773	3.2
203.10657	3.5
203.14398	1.7
205.10158	1.7
207.11716	1.9
207.13684	2.0
209.13245	4.0
211.14821	2.1
213.12776	2.6
213.14735	2.7
215.14334	2.1
215.17905	1.5
219.13797	2.4
223.14917	2.9
227.12636	5.7
227.17963	1.4
229.14166	2.8
229.19572	4.2
233.15443	2.5
237.12688	1.2
239.17963	4.7
247.16949	1.4
247.20566	3.4
249.14818	1.3
253.18059	2.5
257.18927	7.5
259.20630	1.4
267.15872	7.5
269.17389	21.7
273.18579	2.2
275.16891	1.5
275.20023	44.6
276.20468	1.9
283.20557	1.7
289.21719	1.3
293.21185	5.0
299.20062	1.8
299.23608	1.5
301.21661	1.6
303.16187	2.7
313.21716	1.6
317.21118	1.3
321.16910	2.7
321.21921	1.5
323.19785	1.5
327.22983	1.7
331.22733	2.2
333.24393	2.0
337.21616	1.7
339.17947	3.0
339.22934	1.4
349.23703	25.1
350.24069	1.8
355.22421	2.1
357.24231	1.8
367.24707	2.0
377.19574	2.8
389.26758	1.4
395.01019	1.3
395.20547	4.5
405.31287	1.4
411.19730	1.2
413.21594	11.7
419.24146	1.9
423.32458	2.0
433.30695	5.2
445.29364	1.5
451.31985	5.7
463.30612	3.2
469.32886	4.0
493.27979	2.2
499.33856	1.3
507.34735	1.5
515.37152	6.2
525.35742	24.9
526.35602	1.2
543.36780	80.0
544.37158	7.7
561.37726	5.1
567.36761	2.3
585.37384	2.4
607.34546	5.5
609.38177	1.8
623.39465	1.5
651.38507	3.4
663.10156	1.4
669.40363	3.7
687.40875	24.8
688.41162	3.0
705.42096	27.3
706.41925	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.01860	15.1
55.05262	2.1
55.05502	30.2
56.95448	1.5
57.03427	14.3
57.07058	4.3
57.80206	1.2
59.04967	1.8
61.02901	4.1
65.03932	5.3
67.05494	81.2
68.05820	2.2
69.03084	2.3
69.03419	25.1
69.06680	1.5
69.07056	30.8
71.01331	3.0
71.04653	1.4
71.04983	12.6
73.02893	4.7
75.19975	1.1
79.05008	2.6
79.05479	64.6
81.03404	55.7
81.07043	100.0
82.07360	1.7
83.04971	21.3
83.08610	19.6
84.07125	1.4
84.67475	1.5
85.02890	12.1
85.06532	6.5
87.04462	1.3
91.03926	2.6
91.05465	59.8
92.05805	1.4
93.07030	71.4
94.07333	1.5
95.04954	18.3
95.07987	2.6
95.08591	46.6
97.02875	21.3
97.05924	1.9
97.06509	21.3
97.10145	9.6
99.04443	9.5
99.08091	2.6
101.02381	1.9
103.05405	1.7
105.07011	54.0
107.04925	14.1
107.08577	46.3
109.02860	13.5
109.06498	11.1
109.10135	17.1
111.04440	8.5
111.08071	7.3
111.11639	1.6
115.05418	3.6
117.06996	23.8
119.04874	1.5
119.08566	41.4
121.06509	9.4
121.10123	26.5
123.08043	8.3
123.11692	8.4
125.06024	1.4
125.09621	9.8
127.03901	12.7
127.07558	1.5
128.06174	3.7
129.05440	4.6
129.06995	14.3
131.08549	32.2
133.06471	4.3
133.09158	2.4
133.10114	34.8
135.08061	8.7
135.11668	14.6
137.05914	4.7
137.09605	3.9
141.06964	4.8
142.07774	3.4
143.08545	17.3
145.06502	6.5
145.10100	26.5
147.08008	4.8
147.11662	23.4
149.09586	15.9
149.13234	16.8
151.07483	3.4
151.11192	2.9
153.12740	2.1
155.08545	8.6
157.06493	2.3
157.10100	11.6
159.08020	5.4
159.11674	22.5
161.09561	4.9
161.13228	8.6
163.11162	9.6
163.14842	1.6
165.09094	3.3
165.12717	5.4
166.07736	2.5
167.08475	1.6
168.09396	1.3
169.10081	10.4
171.08002	4.3
171.11671	9.6
172.08711	2.0
173.04442	17.3
173.05855	1.8
173.09628	3.4
173.11804	2.9
173.13249	8.3
175.07512	1.8
175.11171	4.3
175.14723	1.8
177.12762	7.3
179.14258	2.8
181.10193	3.3
181.12158	2.2
183.06500	2.1
183.08038	1.8
183.11588	8.8
185.09622	2.1
185.13248	5.0
187.07564	1.7
187.11165	3.9
187.14760	3.8
188.08321	1.6
189.11176	3.3
189.12709	2.4
191.10623	2.2
193.12230	2.4
195.11705	4.4
195.13766	7.8
197.09666	1.7
197.13206	3.9
199.14809	2.6
201.12772	2.8
203.10608	3.2
203.14372	1.7
207.11620	2.2
209.11618	2.0
209.13358	3.3
211.14706	2.4
213.12729	2.4
213.14690	2.7
213.16550	2.2
215.17709	1.3
217.12032	1.5
217.15984	2.1
221.13329	1.9
221.15294	1.6
226.24812	1.3
227.12669	8.7
229.12347	2.4
229.14365	2.9
229.19351	1.6
235.14955	2.1
239.17969	4.6
247.20514	4.1
257.15378	1.7
257.18985	9.9
259.20554	2.8
267.15897	5.4
269.17416	21.0
275.20016	51.8
283.15369	1.6
283.20523	2.5
288.18384	1.4
291.19489	1.5
293.21033	4.3
297.16626	1.4
299.23508	1.5
301.21515	1.5
313.21719	1.9
321.16983	2.3
331.22665	2.9
333.24139	1.9
339.18048	5.9
341.21014	1.7
349.23654	26.3
367.24844	2.1
383.21838	1.6
395.20514	3.7
413.21716	9.5
419.24295	2.4
423.27493	2.2
431.27896	1.8
433.30646	6.2
444.41254	1.5
451.31952	5.5
463.30630	3.1
469.32904	4.6
475.26614	2.1
493.27615	2.4
497.85858	1.5
507.34192	2.2
515.37170	4.9
525.35626	26.5
526.36194	2.0
541.34967	1.8
543.36731	75.3
544.36902	5.9
561.37512	6.2
588.40063	1.3
607.34491	6.1
651.38684	3.6
669.39917	7.6
687.40961	25.7
688.41492	2.1
705.30591	2.3
705.41907	34.6
706.41840	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	705.2517
Annotation	Itraconazole
Peak:m/z	Relative Intensity
55.05488	1.3
69.07069	1.7
70.06583	1.5
70.84972	2.6
70.85381	2.3
79.05489	1.5
81.03408	2.6
81.07040	1.9
85.02888	1.7
92.53080	1.1
103.57759	1.1
105.07032	1.4
112.07629	1.2
114.09169	1.9
130.08630	11.6
137.05925	1.4
145.06445	1.1
147.04430	1.4
171.31346	1.3
175.03957	2.6
177.05592	1.5
187.11227	1.6
195.03018	1.4
207.06580	2.5
215.10753	1.7
239.12326	1.2
292.13959	1.5
377.09079	2.9
409.11661	1.9
548.17719	1.9
629.23022	2.0
645.22003	1.9
673.22729	22.8
705.25201	100.0
706.25940	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	704.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03944	2.5
55.01868	1.7
55.05505	9.7
56.05846	0.4
57.03428	4.3
57.07054	1.1
59.04994	0.9
61.02912	1.7
65.03928	1.4
67.05494	38.0
68.05834	0.5
69.03419	2.4
69.07058	7.6
69.63663	2.9
71.04982	13.3
71.05372	0.8
73.02900	0.7
73.06551	0.5
79.05481	31.2
80.05801	0.5
81.03408	6.3
81.07043	48.2
81.30031	0.4
82.07360	0.9
83.04967	7.4
83.08606	5.8
85.02901	2.1
85.06524	4.1
86.09698	0.5
87.04448	0.5
91.05466	27.9
92.05793	0.5
93.07029	31.1
94.07359	0.6
95.04953	8.2
95.08589	15.0
97.02884	1.8
97.06523	4.5
97.10140	2.6
99.04459	1.0
99.08097	1.7
100.55927	0.4
101.06080	0.6
105.04517	0.7
105.07011	19.8
106.07310	0.5
107.04958	3.4
107.08575	13.8
108.08919	0.4
109.02882	0.8
109.06501	3.3
109.10147	5.4
111.04402	0.7
111.08056	2.2
111.08723	0.3
115.05495	0.5
117.07007	4.8
119.08560	9.9
120.08880	0.7
121.06506	1.6
121.10125	5.6
123.08051	3.1
123.11688	5.7
125.05933	0.5
125.09618	0.9
127.03904	1.0
127.07536	0.6
128.06177	1.0
129.05457	0.5
129.06984	5.6
131.08553	4.3
132.08893	0.5
133.06438	0.7
133.10109	12.8
134.10498	0.5
135.08052	1.2
135.11652	2.6
141.06972	0.6
141.09155	0.4
143.08528	4.2
144.08876	0.4
145.10112	4.8
147.08003	1.3
147.11661	15.0
148.12082	0.5
149.09605	0.9
149.13243	5.4
151.11171	3.5
157.10144	1.1
159.11685	3.5
161.09584	2.0
161.13235	4.7
163.11162	0.5
165.12776	0.8
169.10106	0.5
169.12300	0.4
171.11658	8.6
171.99153	0.3
173.04474	0.9
175.11197	0.8
177.12680	1.7
179.14293	0.7
181.10138	0.4
183.11647	0.4
183.13785	1.2
184.07388	0.6
187.13249	1.9
189.12723	3.1
195.11960	0.4
195.13773	1.6
207.13753	8.4
213.14877	0.6
225.14864	1.4
234.15909	0.4
251.16441	0.8
253.14397	0.8
257.17484	0.4
258.01187	0.4
269.17404	4.4
269.78961	0.4
270.17563	0.4
273.18335	0.5
275.20187	1.1
281.17398	11.6
291.19421	0.6
301.20047	6.5
395.24191	0.7
403.28586	0.6
445.24188	0.9
449.28928	22.3
450.29565	1.4
457.29245	0.5
463.30411	2.9
464.30658	0.4
475.30487	100.0
476.30853	5.8
500.46259	0.4
507.33148	19.6
508.33298	1.4
525.36169	0.4
542.35406	2.7
543.36591	1.4
619.34686	0.9
651.36627	1.9
687.40430	0.4
704.40552	1.9
734.73999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
55.01843	0.6
55.05485	1.3
57.03423	0.5
63.02347	1.0
65.03932	2.7
69.03414	4.0
70.06573	1.4
71.79130	0.7
77.03901	0.8
79.05478	6.1
80.04988	1.4
81.03400	6.1
81.05762	2.0
81.06988	0.6
83.04960	1.2
84.08115	0.9
85.02886	4.8
89.03906	6.9
91.05466	5.8
92.04987	6.3
93.07014	0.6
94.06547	1.7
95.04948	2.8
96.04474	1.2
96.08117	6.5
97.02872	1.7
99.04440	1.2
101.89228	0.5
103.05444	1.7
105.03400	0.6
105.07016	0.8
106.06536	38.5
107.04935	0.8
108.08102	4.1
109.02850	3.5
109.05254	1.6
109.06477	0.8
109.83488	0.6
110.05991	1.2
112.07577	0.8
114.05491	0.9
114.09142	2.2
117.03363	24.0
119.04226	0.7
119.04929	6.1
119.08463	0.6
121.06528	1.2
122.03594	0.7
122.05983	2.2
123.04376	0.7
123.06794	7.8
123.07629	0.8
123.08056	0.6
124.05119	0.8
124.07575	26.9
125.05977	0.8
127.03882	1.6
128.07069	0.5
130.06482	1.6
130.08620	12.9
131.04919	1.7
133.02838	3.2
133.06541	0.9
133.10112	0.8
134.05994	31.5
135.04381	2.1
135.06648	0.6
136.07549	1.9
137.05960	13.4
137.08337	2.3
138.05455	7.9
138.06334	1.0
140.07025	0.9
145.02826	70.8
147.04382	7.7
148.05145	0.8
148.07573	1.0
149.05962	10.5
150.05507	3.1
150.06570	0.8
151.03888	8.8
151.05093	1.1
151.06265	5.4
151.07533	7.1
152.07037	72.5
153.07867	1.1
154.08598	0.7
157.06435	0.9
158.06009	0.6
159.04381	1.6
161.02284	0.9
161.05974	2.8
162.03096	0.8
162.06668	1.8
162.09138	0.7
163.03877	1.8
163.07506	2.1
165.05511	0.9
167.07047	0.9
167.12044	0.5
168.06563	5.1
170.08104	39.4
175.03876	5.8
175.07472	0.9
177.05446	100.0
178.05840	0.9
179.07018	7.2
179.08447	0.9
180.06509	0.7
186.05487	3.1
189.05467	1.0
189.09114	1.5
190.09474	0.8
193.04948	1.1
193.06537	0.6
194.05779	0.8
195.08006	1.1
198.07556	0.7
201.05423	5.2
207.06464	1.1
222.09004	0.7
227.10757	0.8
228.10829	0.9
231.06584	1.2
233.06001	1.0
236.10793	0.6
250.08578	1.3
251.09250	0.8
255.09999	1.1
265.08521	1.0
267.09015	1.2
268.09787	0.6
280.09698	2.1
282.11255	2.7
287.12784	2.4
288.12991	1.1
289.13544	0.8
293.08307	1.0
295.08231	0.6
297.11386	1.1
298.10941	0.9
305.08179	0.9
308.09174	1.1
310.10764	1.8
313.14429	1.1
314.14673	1.0
315.14865	0.7
321.09753	1.3
325.10690	3.5
326.10342	1.0
328.11713	0.9
330.12378	0.7
331.15396	7.3
332.15817	6.8
333.15909	6.0
337.10699	3.0
355.11588	3.8
373.12769	5.3
442.16818	2.6
476.15744	0.7
488.15500	1.6
489.15973	3.3
490.17007	0.8
506.17270	0.8
507.17297	54.1
508.17709	5.7
535.18250	1.7
638.21753	1.3
656.23212	4.3
668.23206	1.9
686.24451	11.4
704.25293	46.4
705.25623	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	703.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45629	1.5
53.03934	5.5
55.01860	5.4
55.05502	29.4
57.03433	8.9
57.07065	6.1
61.02917	2.2
63.58838	1.4
65.03926	4.8
67.05491	68.4
68.05798	1.7
69.03417	13.9
69.06674	3.0
69.07051	59.2
69.54949	15.8
71.04983	5.6
73.02895	2.0
79.05479	46.5
80.05805	2.2
81.03403	46.0
81.07042	86.7
83.04962	39.5
83.08598	18.6
85.02888	53.6
85.06528	3.8
91.03933	2.4
91.05457	42.8
92.05784	1.8
93.07023	61.3
94.07365	2.3
95.04943	26.2
95.08585	73.8
97.02863	9.4
97.06509	9.4
97.10143	15.2
99.04434	3.7
99.08079	2.5
103.05471	2.0
105.07011	60.1
106.07334	2.5
107.04957	9.8
107.08002	1.5
107.08569	72.0
109.02853	6.0
109.06474	8.6
109.10134	100.0
111.04415	15.7
111.08065	7.9
111.11720	4.5
115.05418	2.3
117.06985	18.2
118.07369	1.7
119.04952	1.5
119.08557	57.0
121.06487	9.1
121.10129	53.6
123.04415	4.5
123.08053	6.4
123.11682	44.3
125.09624	10.0
125.13275	1.7
127.03875	8.7
128.06218	2.3
129.05481	7.8
129.06982	13.1
131.04933	1.7
131.08543	27.2
133.06462	4.8
133.10095	45.9
135.08051	11.0
135.11667	47.8
137.09636	5.1
137.13222	15.0
139.07555	4.5
139.11153	2.3
141.06973	3.1
143.08510	16.9
145.06482	3.4
145.10104	29.8
147.04376	2.2
147.08047	7.5
147.11652	31.6
148.12018	2.3
149.05971	2.3
149.09589	9.8
149.13237	16.4
151.07515	4.9
151.11194	2.0
151.14807	3.6
153.09090	4.1
153.12686	2.8
155.08549	5.0
156.09331	2.5
157.10095	16.9
159.08015	3.9
159.11662	33.1
161.05945	2.7
161.09567	6.6
161.13225	17.2
163.07521	10.4
163.11159	6.9
163.14767	15.0
164.82242	1.7
165.06981	2.1
165.09036	4.1
165.12756	4.2
165.16382	2.0
167.08534	2.2
167.10654	1.6
169.10110	6.1
170.10869	2.3
171.06516	42.3
171.07932	2.7
171.11627	10.6
173.04468	9.2
173.05750	1.4
173.09613	4.7
173.13203	19.2
173.14542	1.6
175.07382	1.6
175.11192	5.7
175.14803	13.2
177.09117	8.2
177.12691	2.2
177.16364	5.0
179.10638	6.8
179.14294	3.0
181.10106	3.0
183.08180	2.1
183.11671	6.5
184.12302	1.5
185.09605	2.9
185.13208	11.8
187.11166	4.9
187.14769	24.2
189.09059	6.6
189.11191	3.7
189.12773	3.4
189.16373	6.8
191.10681	5.4
191.17876	12.2
193.12256	6.0
193.19487	4.9
195.11726	3.0
197.13255	4.9
199.11174	1.9
199.14812	7.8
201.12776	1.8
201.16350	8.4
203.10536	4.0
203.14282	2.2
203.17926	10.9
205.12263	4.3
205.15988	1.9
207.11940	2.2
207.13795	4.0
207.17435	1.7
209.09775	1.7
209.13284	3.2
211.13176	2.1
211.14966	2.9
213.12834	1.7
213.16359	6.4
215.17998	5.3
217.12146	2.8
217.19505	2.2
219.13844	5.2
219.20966	2.9
221.19000	1.7
223.14871	3.0
225.12726	1.9
225.16252	1.7
227.12556	1.9
227.14494	1.8
227.17960	2.9
229.19379	3.9
231.08640	3.9
231.13751	4.5
233.15343	6.1
235.13135	2.5
235.16837	2.8
237.12698	1.6
239.18011	2.5
241.16005	1.7
241.19383	3.5
243.21182	3.0
245.15405	7.1
247.16908	6.3
255.21042	2.8
257.19077	3.8
259.13345	1.4
259.16907	3.3
265.19495	1.7
267.15826	11.5
267.21030	2.2
268.16180	2.0
273.14880	3.3
273.18402	3.3
275.20053	14.8
279.20975	1.9
281.17245	2.9
282.17920	2.4
287.19968	2.1
295.20551	2.4
299.19955	5.4
301.14301	4.2
309.21823	1.7
309.25574	2.5
313.21603	4.6
315.23065	5.6
321.25638	1.9
323.27197	3.8
330.59537	2.0
337.21091	1.6
341.28326	1.9
349.23547	4.1
351.26764	4.1
369.27823	42.5
371.37222	1.5
377.31937	1.9
381.27930	2.2
387.28973	4.4
395.32959	9.4
409.34534	2.3
419.32733	3.7
437.34140	20.6
449.30438	1.9
455.28723	3.3
455.35114	66.1
456.35156	2.3
461.28546	1.8
467.31409	2.6
473.28903	5.6
474.29297	19.2
523.34308	2.9
541.35107	24.3
583.35614	2.9
605.33252	2.3
649.37238	2.9
667.38068	5.8
685.38812	7.6
703.40454	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	703.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.0
53.08092	1.0
55.05500	17.7
57.03416	2.6
57.07052	4.9
64.91489	1.1
65.03922	1.5
67.05492	39.6
68.05840	1.4
68.07839	1.2
69.03405	3.2
69.07057	50.8
69.51249	11.3
71.08604	1.7
72.10083	1.1
77.01542	1.0
79.05471	18.2
81.03384	3.4
81.07042	56.2
81.21477	1.0
83.04965	31.6
83.08604	10.4
85.02891	56.3
85.06513	1.1
86.96720	1.2
87.04475	1.5
91.05455	19.4
93.07028	40.6
95.04942	5.0
95.08590	64.1
97.02862	1.6
97.06509	5.9
97.10162	6.6
105.06318	2.4
105.07016	35.9
107.04948	2.1
107.08577	62.4
109.06476	4.4
109.10136	100.0
111.04425	11.3
111.08043	4.9
111.11707	3.3
117.06963	5.7
118.95600	1.2
119.08553	47.9
121.06466	2.1
121.09231	2.5
121.10120	50.6
123.08042	3.0
123.11687	46.9
125.09555	2.0
125.13259	1.5
127.03854	2.8
129.05481	8.1
129.06963	3.6
131.08551	18.2
133.06380	1.2
133.10104	37.6
135.08031	8.6
135.11667	46.2
137.09596	1.1
137.13226	17.3
139.07486	2.2
139.11130	1.6
143.08540	11.2
145.06445	1.5
145.10112	22.6
146.10513	1.4
147.07985	3.0
147.11655	21.8
149.09537	3.1
149.13237	16.8
151.07549	3.1
151.11156	2.1
151.14780	4.4
153.09056	1.6
153.12677	1.7
155.08563	2.4
157.10100	11.0
159.08025	3.1
159.11671	20.9
161.09598	3.6
161.11832	1.8
161.13213	19.1
163.07494	10.7
163.11087	1.7
163.14796	11.9
165.09062	4.4
165.16280	2.1
167.10710	1.7
169.10158	3.6
171.05038	2.5
171.06509	43.8
171.11652	11.3
173.09673	2.5
173.13213	19.2
175.11176	2.6
175.14812	12.8
177.09088	7.1
177.12698	1.8
177.16342	5.4
179.10620	5.7
179.14326	2.5
181.10071	1.6
181.12273	1.2
183.11684	3.1
185.13219	9.7
187.14781	20.2
189.09090	4.5
189.12737	1.5
189.16359	11.9
191.10625	4.0
191.17909	13.9
193.12236	2.9
193.19438	8.1
195.11603	2.1
197.13203	4.9
199.14809	8.9
201.12724	3.2
201.16322	9.2
203.10599	2.9
203.14229	1.3
203.17903	12.9
205.12245	2.8
205.19489	3.5
207.13882	1.9
211.14713	2.2
213.12764	1.3
213.16435	6.3
215.14330	2.6
215.17931	5.9
217.12282	2.7
217.19490	3.8
219.13846	2.8
219.21037	2.6
221.15314	2.0
221.18964	1.9
223.14769	1.4
227.14388	1.8
227.17897	3.5
229.19518	2.4
231.08592	5.4
231.13750	3.1
231.21057	1.2
233.15407	5.8
239.17882	2.2
241.15849	1.8
241.19534	2.7
243.21138	3.3
245.15448	6.0
247.16978	7.3
253.19507	2.5
255.21051	4.3
259.16895	4.4
261.18546	1.8
267.20984	1.9
273.18396	2.8
275.20044	2.2
287.19913	1.9
299.20047	5.0
301.21609	3.2
309.22195	1.4
309.25656	4.4
313.21631	3.2
315.23227	4.0
323.27209	3.8
327.26862	1.4
333.25952	1.3
341.28482	2.6
351.26645	5.7
357.35904	1.2
369.23102	2.5
369.27808	42.9
370.28162	1.4
377.31931	2.9
381.27917	1.4
387.28967	7.3
395.32993	12.1
399.28915	3.3
409.34448	2.3
419.33203	1.9
437.34076	21.9
455.35132	71.9
456.35355	1.9
541.34814	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16357	1.0
53.03936	2.4
55.05498	15.5
57.03408	3.0
57.07065	5.6
59.04974	1.4
60.34446	1.2
65.03922	1.9
67.05126	2.1
67.05489	39.9
69.03409	2.1
69.07055	53.4
70.72123	2.1
71.04968	1.9
75.63061	1.0
75.90154	1.1
77.03894	1.4
79.05473	16.8
80.06269	1.2
81.03389	1.1
81.07040	56.1
83.04964	27.5
83.08596	11.9
85.02888	52.2
85.06500	1.5
91.05453	15.6
93.07024	40.7
95.04964	5.7
95.08589	66.4
97.06493	5.2
97.10153	6.3
105.06310	2.3
105.07007	34.0
107.08572	60.0
109.06467	3.1
109.10136	100.0
111.04415	14.5
111.08043	4.4
111.11687	4.3
117.06982	3.4
118.17904	1.1
119.07712	2.4
119.08557	47.5
121.06506	1.9
121.10119	49.0
123.08060	2.5
123.11684	51.5
125.04147	1.0
125.05991	1.2
125.09636	1.5
127.03901	3.1
128.38037	1.0
129.05460	9.0
129.06964	2.7
131.08525	12.8
133.10100	35.4
135.08043	7.1
135.11668	50.0
137.09607	2.0
137.13228	19.9
139.07458	2.8
139.11169	1.8
142.07768	1.6
143.08566	10.3
145.10092	23.7
147.07980	2.2
147.11653	23.3
149.09578	3.2
149.13231	18.7
151.07516	4.7
151.14803	4.7
153.09068	2.1
153.12683	3.1
155.08569	1.5
157.10089	10.5
159.08054	2.1
159.11655	22.7
161.09569	3.9
161.13234	19.0
163.07524	13.1
163.11089	1.7
163.14784	15.7
165.09087	2.8
165.12746	1.8
165.16409	1.6
167.10606	2.0
169.10083	3.4
170.10954	1.3
171.06497	48.6
171.11615	10.3
173.09657	1.8
173.13214	19.4
175.11162	1.7
175.14801	13.4
177.09094	8.2
177.12735	1.2
177.16341	4.6
179.10645	8.1
179.14297	2.8
181.09929	1.5
183.11690	3.7
185.13220	11.8
187.14786	23.4
189.09102	5.6
189.12654	1.2
189.16354	12.0
191.10625	5.5
191.14320	2.2
191.17905	15.4
192.18192	1.2
193.12146	2.2
193.19473	6.5
195.11617	1.5
197.13135	3.9
199.14737	9.9
201.12711	2.9
201.16357	10.2
202.16568	1.2
203.10608	4.3
203.14314	1.5
203.17911	10.4
205.12196	1.8
205.15887	1.3
205.19478	4.4
207.13702	2.2
207.17419	1.7
209.13248	2.4
211.14813	2.3
213.16283	6.0
215.14229	1.5
215.17885	3.7
217.12244	3.0
217.19490	4.5
219.13686	5.5
219.21078	3.3
221.15268	1.9
221.18982	1.4
223.14836	1.3
227.14241	1.6
227.17934	4.1
229.12103	1.6
229.15889	2.0
229.19435	2.1
231.08557	4.3
231.13776	4.7
231.17282	1.4
233.15306	7.7
235.16866	1.3
239.17892	1.7
241.15756	2.5
241.19507	3.3
243.21100	3.3
245.15309	7.8
247.16885	8.4
253.19513	2.7
255.17413	1.4
255.21017	4.3
257.19061	1.2
259.16882	4.3
261.18600	1.7
261.22058	1.5
269.22589	1.5
271.16861	1.6
273.18500	3.7
275.20023	3.8
285.18527	2.1
285.22064	1.3
287.19968	1.6
289.21625	1.5
299.19946	5.6
301.21579	2.1
309.25677	4.9
313.21545	4.3
315.23126	4.6
323.27280	5.4
326.93994	1.1
327.23172	1.2
327.26773	1.5
333.25735	1.9
351.26721	7.3
369.27844	52.5
370.28110	3.0
377.31873	3.2
381.27512	1.9
387.28860	7.6
391.33231	1.6
395.33167	14.2
395.38379	1.8
399.29028	2.4
409.34476	1.9
419.32953	3.7
437.34125	19.9
455.35129	81.2
456.35522	3.9
666.56732	1.1
712.36914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.5
53.03949	7.7
55.01863	15.1
55.05505	39.0
57.03429	17.8
57.07051	3.5
57.46186	1.3
59.04994	2.0
61.02909	12.6
65.03929	5.1
67.05496	72.3
69.03423	26.6
69.07057	29.2
69.47477	5.1
69.47901	9.7
71.01348	2.6
71.04992	11.4
73.02903	7.9
79.05486	63.8
79.18532	1.5
81.03407	86.9
81.07044	74.4
81.07533	2.8
83.04961	19.8
83.08609	24.1
85.02892	28.6
85.06528	5.3
91.03927	4.3
91.05463	61.4
93.07032	54.8
95.01347	1.6
95.04955	55.4
95.08592	42.0
97.02879	25.7
97.06501	8.9
97.10152	23.8
98.21382	2.3
99.04448	9.2
101.02377	2.1
103.03910	3.5
103.05437	2.2
105.03423	1.7
105.04539	2.2
105.07015	55.2
105.07713	3.1
107.04945	18.0
107.07892	3.1
107.08575	42.9
109.02862	10.1
109.06506	13.6
109.10136	31.6
111.04422	7.2
111.08059	8.5
113.02411	1.4
115.05446	4.8
117.07011	30.1
119.04948	5.9
119.08567	44.6
121.02892	2.0
121.06498	15.7
121.10123	25.2
123.04408	11.2
123.08035	11.1
123.11689	7.9
125.09604	16.9
127.03929	10.8
127.07553	2.0
128.06230	5.0
129.05460	5.7
129.06978	25.6
130.07751	2.4
131.04918	5.6
131.08545	34.3
133.06493	8.7
133.10112	29.4
135.04451	1.4
135.08046	11.7
135.11681	13.2
137.02275	1.4
137.06001	2.2
137.09610	5.1
137.13252	1.6
139.11166	2.8
140.53439	1.5
141.06982	8.7
142.07780	5.4
143.08539	21.5
144.05701	1.9
145.05362	2.1
145.06438	12.6
145.10110	28.4
147.04376	6.7
147.08038	9.1
147.11681	19.1
149.05974	3.7
149.09593	15.4
149.13229	6.3
151.07452	2.0
151.11156	2.5
153.06938	2.7
153.09093	3.5
154.07715	2.2
155.08562	11.1
156.09326	2.8
157.06509	5.0
157.10115	21.4
158.07193	1.6
159.08061	10.0
159.11665	20.3
161.05992	4.4
161.09601	7.9
161.13251	5.8
163.07524	1.8
163.11189	11.9
165.09196	2.4
165.12755	3.6
167.08578	5.4
168.09268	2.0
169.06502	5.2
169.10115	10.8
171.06522	4.1
171.08054	9.1
171.10278	2.7
171.11659	16.4
173.04456	19.9
173.05916	3.4
173.09621	6.0
173.11777	3.2
173.13281	9.4
175.07582	2.6
175.11128	9.2
175.14810	2.6
177.12762	4.1
178.07751	1.8
179.08537	4.1
179.10588	1.7
179.14273	1.9
180.09378	1.6
181.10088	7.9
183.08043	4.1
183.11667	10.0
184.85939	1.5
185.09622	7.6
185.13237	7.7
187.07524	2.9
187.11189	5.8
187.14749	3.4
189.05481	4.4
189.09239	2.0
189.11188	8.9
189.12746	4.1
189.16409	3.1
191.10593	2.3
191.14351	1.9
193.10164	4.5
193.12251	9.7
195.08064	1.8
195.11685	6.7
197.09656	4.7
197.13255	9.1
199.11197	5.6
199.14815	3.6
201.12743	3.1
203.14362	1.8
205.10268	1.6
205.12262	4.0
207.11713	4.7
207.13702	3.2
209.13266	4.6
211.11197	4.7
211.13240	5.7
211.14919	2.1
213.12744	4.5
217.12196	2.0
219.11739	1.9
219.13794	2.9
221.13353	2.8
223.11182	2.7
223.14836	3.7
225.12764	3.4
227.12766	6.3
229.14337	2.3
229.19612	2.6
231.13759	3.3
235.11276	1.7
235.13150	6.7
237.12718	2.6
239.14366	2.1
239.17947	4.8
241.10361	2.2
243.13936	2.7
245.15483	1.9
246.98677	1.5
247.20480	3.2
249.14816	2.1
251.14293	1.7
255.13754	3.3
257.18970	9.5
259.13272	4.3
261.14792	1.8
267.15833	13.5
270.15842	1.8
272.79697	1.6
273.14877	7.6
273.18405	4.1
275.20032	30.4
277.14474	2.2
281.18988	1.9
283.13190	2.9
287.16440	1.9
291.19470	1.9
293.21033	3.2
297.22156	5.5
299.20084	3.6
301.14279	12.8
301.21552	1.7
303.15872	3.1
309.17145	1.9
313.21500	2.4
315.19412	3.2
319.15274	4.6
323.20166	2.1
325.21527	2.9
331.22675	2.9
337.16425	3.4
337.21762	2.5
341.21301	3.9
347.22305	1.6
349.23856	14.1
355.22733	3.0
369.27957	3.4
375.18027	5.0
379.22537	2.2
383.22067	1.7
393.19183	2.7
403.25031	3.5
405.23441	1.9
411.20450	3.1
419.24304	1.8
421.25742	3.6
431.29532	3.7
447.26874	3.4
449.30539	10.5
455.35031	4.5
467.31451	8.1
513.35620	1.7
515.32019	1.6
523.34155	15.7
523.60547	1.5
532.55933	1.6
533.51355	1.5
539.32574	3.2
541.35187	100.0
542.35699	4.2
543.36237	2.5
551.30963	2.1
553.35217	1.7
557.32806	2.1
559.36682	8.0
565.35199	2.8
569.31665	2.3
583.36554	9.8
587.32800	2.0
605.33191	3.2
607.36432	3.4
611.35303	2.9
613.36383	1.7
619.35815	1.7
625.37378	3.1
631.36670	2.8
649.37427	10.3
667.38184	13.7
685.39319	19.1
703.40356	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.7
53.03927	2.7
55.01859	3.6
55.05502	41.5
57.03191	0.9
57.03431	11.7
57.07067	3.6
59.04982	1.4
61.02920	3.6
62.14035	0.7
65.03951	1.9
67.05495	50.6
68.05813	1.2
69.03425	5.5
69.07058	12.8
71.04980	1.4
71.08605	2.9
71.79681	1.1
73.02909	1.6
77.41412	0.7
79.05481	31.2
80.05849	0.9
81.03408	4.5
81.07044	45.1
82.07344	0.9
83.04955	4.7
83.08607	28.6
83.78310	0.7
84.05299	0.7
84.08099	1.0
85.02882	3.7
85.06515	2.4
85.10139	0.7
86.09663	3.0
87.04470	1.0
91.03941	1.6
91.05466	16.0
93.07031	33.6
95.04980	3.7
95.07986	1.5
95.08595	26.4
97.02871	3.0
97.06496	1.8
97.10155	62.3
99.08059	1.0
101.09596	1.0
105.07008	11.3
106.67194	0.9
107.04937	1.3
107.08572	33.2
109.02855	1.1
109.06499	2.5
109.10141	21.4
111.08064	2.9
117.07002	6.7
119.08557	9.2
121.06485	1.2
121.10127	15.0
122.10402	0.7
122.41564	0.9
123.04390	0.9
123.08034	2.1
123.11694	5.5
124.99992	2.0
125.09613	58.0
126.09932	1.0
127.03876	0.9
129.06979	3.1
131.08536	8.9
133.10110	7.2
135.08031	6.9
135.11659	7.4
137.09560	1.2
137.13222	2.1
141.06921	1.0
143.08508	2.4
143.10617	3.1
145.10121	5.5
146.10390	0.9
147.11676	5.5
149.09547	1.7
149.13249	5.2
153.09048	4.5
155.08562	1.4
157.10139	1.9
159.11687	6.8
161.13232	3.0
163.11127	0.9
163.14751	3.5
171.10106	2.3
171.11610	1.7
173.09589	1.2
173.11862	1.3
173.13158	3.5
173.94331	0.8
175.14845	1.5
177.12755	1.0
177.16344	1.0
184.07317	8.3
185.13191	1.1
187.14795	2.3
189.11194	41.9
190.11621	0.8
201.16357	0.9
227.12747	71.3
228.13078	1.2
243.21098	5.8
245.13812	100.0
246.14088	2.0
261.22083	22.1
267.15903	1.0
279.23151	3.3
291.19391	0.9
313.27237	1.7
317.24600	3.3
333.13086	1.2
335.25772	62.8
336.26022	2.2
353.26715	1.4
382.36514	0.9
431.31021	1.9
468.37689	3.6
487.34286	7.3
505.35172	41.5
506.35495	2.3
523.36279	5.1
527.37384	3.9
528.37714	1.4
529.38885	1.8
573.48535	1.4
593.34589	0.8
611.35211	1.2
685.38782	1.6
702.46576	1.4
703.39697	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	703.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.05502	1.0
57.07061	1.9
67.05507	2.1
69.07046	1.0
69.85097	2.7
71.08604	1.1
79.05493	1.2
81.07032	2.3
83.08599	0.9
85.06516	0.4
85.10151	0.7
89.06015	0.8
91.05484	1.5
93.07019	2.1
95.08577	2.2
98.20737	0.7
105.07021	0.9
107.08578	1.0
109.06538	0.5
109.10132	0.7
113.00009	1.2
119.08562	0.7
121.10123	0.5
127.76883	0.4
131.08598	0.7
133.08534	0.5
133.10123	0.6
136.06171	1.2
145.10078	0.7
159.11760	0.6
184.07391	0.7
251.45479	0.5
415.18655	0.5
427.19128	1.2
428.20932	0.5
441.21530	0.6
445.20056	0.6
454.17944	1.2
455.18655	1.8
455.23428	0.7
457.24286	0.9
459.21710	4.6
460.22437	1.4
461.23645	0.5
468.19424	1.3
469.20013	3.3
470.20972	2.0
471.21518	1.0
481.19843	0.7
483.21680	10.5
483.28171	0.7
484.22495	7.3
485.23328	4.0
497.23404	1.2
498.23996	0.7
499.24750	1.1
511.23587	0.6
513.23773	0.4
513.26086	0.4
515.24359	0.5
518.22748	0.6
519.23950	0.7
527.24384	1.4
531.23889	0.6
543.23804	1.0
547.27026	2.2
548.27722	0.5
555.23987	0.6
557.25854	0.6
570.26428	1.4
571.26764	3.0
573.48816	3.1
574.48944	4.3
585.27484	0.8
587.26636	1.3
599.26410	0.7
601.27252	0.7
606.28308	1.9
630.28113	9.3
630.37671	0.7
631.29413	3.2
643.32861	3.4
645.30402	0.8
703.34784	100.0
704.35248	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.7
53.03927	2.7
55.01859	3.6
55.05502	41.5
57.03191	0.9
57.03431	11.7
57.07067	3.6
59.04982	1.4
61.02920	3.6
62.14035	0.7
65.03951	1.9
67.05495	50.6
68.05813	1.2
69.03425	5.5
69.07058	12.8
71.04980	1.4
71.08605	2.9
71.79681	1.1
73.02909	1.6
77.41412	0.7
79.05481	31.2
80.05849	0.9
81.03408	4.5
81.07044	45.1
82.07344	0.9
83.04955	4.7
83.08607	28.6
83.78310	0.7
84.05299	0.7
84.08099	1.0
85.02882	3.7
85.06515	2.4
85.10139	0.7
86.09663	3.0
87.04470	1.0
91.03941	1.6
91.05466	16.0
93.07031	33.6
95.04980	3.7
95.07986	1.5
95.08595	26.4
97.02871	3.0
97.06496	1.8
97.10155	62.3
99.08059	1.0
101.09596	1.0
105.07008	11.3
106.67194	0.9
107.04937	1.3
107.08572	33.2
109.02855	1.1
109.06499	2.5
109.10141	21.4
111.08064	2.9
117.07002	6.7
119.08557	9.2
121.06485	1.2
121.10127	15.0
122.10402	0.7
122.41564	0.9
123.04390	0.9
123.08034	2.1
123.11694	5.5
124.99992	2.0
125.09613	58.0
126.09932	1.0
127.03876	0.9
129.06979	3.1
131.08536	8.9
133.10110	7.2
135.08031	6.9
135.11659	7.4
137.09560	1.2
137.13222	2.1
141.06921	1.0
143.08508	2.4
143.10617	3.1
145.10121	5.5
146.10390	0.9
147.11676	5.5
149.09547	1.7
149.13249	5.2
153.09048	4.5
155.08562	1.4
157.10139	1.9
159.11687	6.8
161.13232	3.0
163.11127	0.9
163.14751	3.5
171.10106	2.3
171.11610	1.7
173.09589	1.2
173.11862	1.3
173.13158	3.5
173.94331	0.8
175.14845	1.5
177.12755	1.0
177.16344	1.0
184.07317	8.3
185.13191	1.1
187.14795	2.3
189.11194	41.9
190.11621	0.8
201.16357	0.9
227.12747	71.3
228.13078	1.2
243.21098	5.8
245.13812	100.0
246.14088	2.0
261.22083	22.1
267.15903	1.0
279.23151	3.3
291.19391	0.9
313.27237	1.7
317.24600	3.3
333.13086	1.2
335.25772	62.8
336.26022	2.2
353.26715	1.4
382.36514	0.9
431.31021	1.9
468.37689	3.6
487.34286	7.3
505.35172	41.5
506.35495	2.3
523.36279	5.1
527.37384	3.9
528.37714	1.4
529.38885	1.8
573.48535	1.4
593.34589	0.8
611.35211	1.2
685.38782	1.6
702.46576	1.4
703.39697	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	702.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19725	0.7
53.03931	2.5
55.01865	1.7
55.05503	15.8
56.92859	0.8
57.03427	11.0
57.07064	3.2
59.04991	3.8
61.02910	3.7
65.03934	3.8
67.05495	100.0
68.05824	2.0
69.03422	4.2
69.07051	10.5
70.06580	1.6
70.25518	3.9
71.04977	4.9
71.08624	0.8
73.02881	1.1
74.94991	0.8
76.93350	1.0
77.03931	1.1
79.05482	28.3
79.85468	0.8
81.03409	7.3
81.07043	38.9
82.07401	0.9
83.04968	2.5
83.08606	9.0
85.02889	6.6
85.06520	4.3
86.09686	0.9
88.07640	2.2
91.03944	1.9
91.05466	41.2
92.05801	0.9
93.07027	35.5
94.07344	1.3
95.04942	5.5
95.08596	23.7
97.02880	3.6
97.06509	2.9
97.10178	2.8
99.04421	1.0
99.08103	2.0
101.78945	1.0
102.09164	2.0
105.07016	38.3
107.04954	1.6
107.08571	23.2
108.08907	0.9
109.06511	3.8
109.10141	76.3
111.04416	1.2
111.08051	4.3
117.06998	13.3
117.43068	0.8
119.07712	2.0
119.08563	37.7
120.08974	1.3
121.06454	1.0
121.10130	14.8
123.08067	1.3
123.11686	2.5
125.09640	3.7
127.03896	1.0
127.11256	0.8
128.06203	2.3
129.06990	8.2
131.08537	15.0
131.42967	0.8
133.06444	1.2
133.10112	29.9
133.11116	1.7
135.08014	2.6
135.11681	11.6
136.66180	0.8
137.09622	4.8
137.10509	0.8
141.06964	1.1
142.07770	1.2
143.08540	8.2
145.10092	13.5
147.08031	1.2
147.11670	22.1
149.02359	6.5
149.09572	2.0
149.13225	7.1
151.11148	1.6
155.08566	1.9
155.10652	2.5
157.06664	1.2
157.10098	8.0
158.10437	0.9
159.08075	1.1
159.11674	12.5
161.09631	1.5
161.13229	20.2
163.03876	1.1
163.11099	2.2
163.14796	2.7
165.12741	0.9
167.08507	1.2
169.10091	3.3
171.11652	8.3
173.04474	1.4
173.09607	1.4
173.11732	19.6
173.13255	7.6
175.11197	1.3
175.14815	5.4
177.12755	1.0
181.10165	1.5
183.11711	2.4
185.13243	5.4
187.14784	2.7
189.12761	1.7
189.16304	0.9
193.04965	3.9
195.11620	1.9
197.13278	2.1
199.14848	4.2
201.16377	1.2
211.14819	1.6
213.16563	1.4
227.12729	9.6
229.14317	68.8
231.17354	1.1
231.21033	4.4
241.19511	18.9
256.26355	4.5
257.19037	1.3
259.20544	58.8
260.20963	2.1
261.22177	3.5
273.18457	1.2
275.20102	1.2
315.23141	3.0
333.24200	40.9
334.24615	1.1
385.09143	1.1
395.29272	1.5
403.10016	1.3
423.71603	1.4
429.11655	2.6
487.34061	23.9
505.35178	25.5
506.35449	1.4
540.37488	4.4
541.35840	2.2
702.38116	10.8
703.40466	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	702.441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17702	0.3
53.00301	0.3
53.03935	2.5
55.01856	2.2
55.04567	0.3
55.05500	3.5
56.90788	0.3
57.03423	2.6
57.07056	0.6
59.04993	0.3
61.02923	1.9
65.40865	0.3
67.05489	4.3
68.04992	0.8
68.99767	0.8
69.03416	14.9
69.07054	6.5
70.03735	0.4
70.06567	0.5
71.04980	2.0
71.08620	0.6
71.78954	0.3
71.79327	0.4
73.02903	2.4
79.05476	3.0
81.02924	0.6
81.03400	13.1
81.05772	1.2
81.06591	0.6
81.07041	7.2
82.06554	1.3
83.04960	2.9
83.08604	3.3
85.02888	29.3
85.06483	0.5
85.10158	0.4
87.00319	0.6
87.00812	8.5
87.04422	0.5
91.03926	0.9
91.05460	2.1
93.07033	3.2
94.06551	1.1
95.04952	1.4
95.08590	6.7
96.08123	3.4
96.93234	0.3
97.02874	9.2
97.06490	0.8
97.10146	2.1
99.04433	5.6
100.07586	0.5
103.03900	0.6
105.01843	6.3
105.07013	3.0
107.04926	0.4
107.08566	3.9
109.02857	12.3
109.03609	0.6
109.06486	0.9
109.10139	5.2
111.04390	0.8
111.08051	0.3
111.11686	1.1
112.07621	1.6
112.08267	0.4
114.09145	57.5
115.03887	0.6
115.09473	0.5
117.01823	1.4
117.06980	0.8
119.08554	3.9
121.06477	0.6
121.10129	2.2
123.08082	0.7
123.11693	2.0
125.09588	0.7
125.13304	0.4
127.03889	21.0
128.07048	2.2
129.01819	2.3
129.05447	0.3
129.06960	0.8
130.08643	0.6
131.08511	1.5
133.10080	2.2
135.08012	0.5
135.11652	2.5
137.13242	0.9
140.07071	0.5
143.08543	0.8
145.04927	6.5
145.10091	1.3
147.02907	1.3
147.04262	0.3
147.07933	0.4
147.11652	1.0
149.09637	0.5
149.13274	0.9
151.14786	0.4
155.08504	0.5
157.10115	0.9
158.08104	7.5
159.02876	5.3
159.08055	0.6
159.11717	2.1
160.09657	100.0
161.09914	1.3
161.13280	0.8
163.11108	0.7
163.14806	1.0
169.10005	0.3
171.06543	1.8
171.07855	0.5
171.11717	0.9
173.09547	0.5
173.13280	1.1
175.11122	0.6
175.14809	0.6
177.05411	0.6
177.16415	0.4
185.13271	0.3
187.06067	0.4
187.14803	1.0
189.03943	1.0
189.11084	0.4
189.16438	0.6
193.12114	0.4
199.14935	0.4
203.17769	0.5
205.07010	0.4
213.03958	0.9
227.12733	0.5
231.04956	4.3
231.08543	0.4
241.19603	0.4
246.76376	0.3
249.06126	1.3
253.41934	0.3
265.30252	0.3
275.20129	0.4
283.15396	0.5
307.29834	0.6
312.39679	0.3
353.93030	0.4
369.27905	1.1
385.30981	1.0
395.33212	0.4
401.49124	0.3
454.38766	4.2
454.44531	0.4
455.35028	2.1
479.83978	0.4
505.27917	1.1
523.28864	0.3
541.35461	1.3
616.44214	2.2
658.45483	1.4
685.39526	0.4
702.44171	28.3
703.44629	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	702.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01859	0.3
57.03413	0.4
59.14993	0.2
61.02903	0.6
69.03407	1.2
69.07064	0.3
70.06567	0.8
72.08126	0.3
73.02892	0.3
79.05460	0.5
81.03403	1.0
81.07021	0.3
85.02892	5.6
85.26493	0.2
86.09693	0.5
87.04464	0.2
91.03963	0.2
91.05464	5.0
94.04163	0.4
94.06549	0.2
95.04953	1.5
97.02885	1.7
97.06526	0.3
99.04421	0.4
103.05453	1.2
105.07001	1.3
107.04909	1.6
107.08594	0.3
109.02854	1.0
109.06491	1.6
111.04430	0.8
114.09142	0.7
115.05470	0.4
117.07013	0.4
119.04924	5.2
121.02877	0.2
121.06474	1.8
122.03635	0.8
123.04408	0.4
123.08022	0.5
124.07520	0.2
127.03890	1.7
128.06198	0.4
129.06967	3.0
130.08624	1.1
131.04892	3.2
131.08539	0.4
133.02876	0.3
133.06500	1.0
135.04434	0.4
135.08023	1.3
136.04063	0.2
136.05182	0.8
137.05956	25.0
138.05453	0.9
138.06296	0.5
143.04916	0.4
143.08533	0.2
145.02834	0.5
145.03966	0.2
145.04968	1.1
145.06435	1.1
146.03561	0.3
147.04398	0.8
147.08037	0.6
149.05960	5.1
150.06631	0.3
151.03981	1.3
151.07518	36.4
152.07845	0.9
153.06993	0.2
156.10179	0.3
157.06464	4.0
158.07236	0.4
159.08023	0.4
161.05949	4.6
161.08365	0.2
161.09564	1.2
162.06596	0.3
163.03876	1.4
163.07521	11.6
164.07925	0.2
165.05534	0.3
165.06987	1.2
165.09103	1.6
167.07004	1.0
167.08534	2.8
169.06497	0.2
174.06766	1.8
175.07518	3.1
176.08179	0.2
177.05539	1.5
177.06841	0.4
177.09091	5.6
178.07780	0.6
178.09341	0.2
179.07063	0.3
179.08531	0.3
180.08659	0.2
181.06458	0.5
181.08585	0.5
181.10001	0.4
187.07523	0.6
189.09079	12.9
190.09419	0.4
193.06493	1.4
193.08463	0.4
193.10075	1.8
194.07198	0.4
195.08032	6.0
195.09908	0.4
196.08540	0.5
197.05933	0.3
197.09621	0.3
199.11050	0.3
201.05537	0.3
201.09076	0.3
203.06934	0.3
203.08542	0.6
204.06468	0.2
205.06384	0.2
207.08112	0.5
207.10144	2.0
209.06183	0.3
209.09601	1.5
210.06735	0.8
211.07484	0.4
212.08366	1.0
219.08011	0.3
219.10123	0.6
221.06006	2.4
221.09599	2.4
221.11734	1.4
222.06668	0.4
223.07526	3.6
224.08263	0.6
225.05502	0.3
225.09001	2.2
227.10634	10.5
228.10934	0.4
233.05867	0.3
234.06929	0.4
235.07512	0.4
235.11023	0.3
236.09506	0.3
237.09050	0.9
238.06163	0.7
238.09920	0.6
239.07039	0.5
239.10533	0.5
240.07787	0.9
241.08612	0.3
241.12044	0.5
245.11610	0.3
249.09087	1.9
250.09485	0.3
251.11719	0.8
252.07739	0.3
253.08614	3.9
253.12215	5.7
254.09131	0.6
254.12466	0.2
255.10127	11.4
256.10587	0.5
259.13245	0.4
263.07144	0.3
265.08984	1.1
265.12271	0.3
266.09216	0.6
267.10049	1.7
269.05496	0.2
269.07990	1.3
269.11774	1.0
270.08783	0.6
271.13107	0.3
272.10376	1.1
279.11252	0.9
281.11606	2.7
283.09598	0.3
284.10339	0.6
285.11142	7.0
285.13525	0.4
285.63629	0.4
286.11368	0.5
287.12729	18.5
288.13092	0.9
293.09024	0.6
293.12140	0.3
297.11127	1.2
298.11719	0.5
299.12796	1.5
301.14493	0.4
307.10645	0.3
311.12817	0.7
313.14297	14.2
314.14481	0.7
325.11652	0.6
327.13303	0.5
331.15344	100.0
332.12048	0.4
332.15726	4.7
339.13324	0.9
341.14777	0.4
343.15344	3.6
367.12671	0.4
369.14221	0.5
370.95062	0.2
399.15500	0.3
436.66492	0.3
439.17615	0.5
441.16641	0.3
457.19330	0.3
469.15939	0.3
471.17221	0.3
497.15497	0.4
501.18829	0.3
529.17810	0.8
540.23383	1.0
620.42969	0.2
640.15631	0.2
670.26019	1.0
702.28394	2.8
703.27802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48970	0.3
51.89045	0.3
52.50730	0.2
55.05499	4.5
57.03430	3.6
57.07067	34.2
57.07460	1.0
58.07372	0.4
61.02916	13.5
63.43836	0.4
65.03903	0.3
67.05495	10.8
68.05784	0.3
69.03425	1.7
69.07056	7.2
70.38708	0.5
70.39128	1.1
71.04942	0.7
71.08620	29.0
71.08994	1.1
71.09187	0.9
72.08900	0.4
73.02905	4.2
75.04457	2.6
79.05443	1.2
81.03356	0.8
81.07040	15.3
83.04931	0.4
83.08607	9.1
85.02892	16.1
85.06508	0.7
85.10170	17.6
86.09645	0.9
89.05993	0.6
91.03938	14.5
91.05415	0.3
93.06979	1.4
95.04904	0.4
95.08591	23.4
96.08869	0.7
97.02876	8.3
97.03464	0.3
97.10152	9.9
99.04379	1.0
99.08063	0.4
99.11715	1.8
101.02289	0.3
103.03892	0.4
107.08549	0.6
109.02797	0.5
109.10139	12.5
111.11694	4.5
113.13229	0.7
114.09132	0.4
115.03854	0.7
117.06934	0.4
119.08542	0.4
121.10104	0.7
123.11686	5.5
124.99931	0.6
125.13213	0.9
127.03899	4.7
127.14777	0.4
129.06912	0.3
133.10088	0.5
135.11717	0.4
136.06157	1.6
137.13222	1.9
145.04935	7.5
149.13277	0.4
151.14742	0.8
163.05998	13.5
165.16399	0.5
178.21097	0.3
179.17790	0.3
184.07336	2.6
193.93639	0.3
196.11726	0.3
204.08554	0.4
229.14241	0.4
231.23163	0.3
249.25725	1.2
254.98357	0.3
267.26788	19.6
268.27103	0.6
285.27853	4.2
326.30533	0.6
341.30444	100.0
342.30756	4.3
359.31494	40.6
360.31689	1.6
399.46216	0.3
434.44403	0.3
503.36063	0.5
519.49493	0.3
629.60468	0.3
700.44714	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	700.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.1
65.03896	0.1
67.05479	0.3
68.04736	0.1
68.05026	0.9
69.01660	0.1
69.03413	0.2
69.05808	1.0
69.07037	0.2
70.06583	0.6
70.83443	0.3
71.04958	0.1
71.07336	0.1
71.51952	0.1
72.08133	0.1
73.02901	0.2
76.91241	0.1
79.05478	0.3
81.03397	0.3
81.07040	0.4
83.08560	0.1
84.08105	0.2
84.79724	0.1
85.02904	0.5
86.09681	0.2
91.05455	1.1
93.07022	0.3
95.06052	0.2
95.08622	0.3
97.02878	0.2
104.06227	0.2
105.07023	2.4
107.04858	0.1
107.08582	0.2
109.02844	0.2
109.06486	0.1
109.10136	0.2
110.07131	0.2
114.09139	0.3
114.10263	0.1
116.06235	0.1
116.07049	0.1
117.06981	0.2
118.06517	0.2
119.04940	0.3
119.08546	0.2
120.08093	3.3
121.06481	0.1
121.10173	0.2
122.05953	0.1
127.03864	0.2
130.06450	0.1
130.08644	0.2
131.04878	0.2
131.08528	0.1
132.08054	0.8
133.08853	6.8
134.09598	0.1
135.04391	0.1
135.11586	0.1
137.05920	0.5
144.08069	0.3
145.02802	0.4
145.06454	0.4
145.17685	0.1
146.09558	0.2
147.04396	1.2
147.11615	0.1
148.11188	100.0
149.05965	0.2
149.09581	0.1
149.11526	1.2
150.05423	0.2
151.03914	0.2
159.11707	0.1
161.05936	0.1
161.09579	0.2
162.09056	0.2
163.03952	0.2
163.07458	0.2
165.07834	0.3
165.10193	0.7
166.08583	0.3
167.07033	0.3
170.09680	0.1
171.10396	0.6
172.07599	0.3
172.11185	0.3
173.05956	1.2
175.03880	0.2
175.07491	0.6
177.05464	0.9
177.09122	0.2
185.05936	0.2
187.14832	0.1
189.09122	0.1
190.08633	0.4
191.07019	1.2
191.14012	0.1
199.07542	0.2
202.08708	0.3
203.06996	0.3
204.10167	2.9
205.08635	0.6
207.06490	0.3
216.10168	0.9
217.08551	0.1
218.11719	0.1
219.11333	0.1
220.09659	1.3
233.12856	1.4
234.11098	0.3
243.11270	0.2
247.18048	1.4
261.19620	2.0
275.17529	3.2
275.20419	0.2
289.19058	2.8
367.16537	1.5
380.19641	1.3
381.18149	0.5
394.17542	0.4
395.16092	0.7
408.19119	2.9
409.17542	0.2
412.18616	9.3
413.18698	0.2
426.20157	2.6
473.36148	0.1
490.49860	0.1
523.40289	0.1
525.26831	0.2
650.36096	0.3
654.36517	0.6
682.24847	0.2
682.35962	3.8
683.34772	0.2
700.37390	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	700.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.1
55.05486	0.1
58.06577	0.1
65.03940	0.1
67.05484	0.1
68.05019	0.7
69.03402	0.2
69.05804	0.7
69.07064	0.1
70.06240	0.1
70.06580	0.8
70.85294	0.2
71.04975	0.1
72.08138	0.1
74.83420	0.1
77.03925	0.1
79.05472	0.2
81.03387	0.2
81.07060	0.1
84.32627	0.1
85.02889	0.1
91.05446	0.8
93.07038	0.1
95.04960	0.1
95.08581	0.1
96.04469	0.1
97.02864	0.1
99.04372	0.1
104.06221	0.2
105.07016	2.2
107.04920	0.1
109.02859	0.1
109.10098	0.1
114.09117	0.1
114.12756	0.1
115.05428	0.1
116.06217	0.1
117.03423	0.1
117.06972	0.2
118.06514	0.1
119.04913	0.2
119.08511	0.1
120.08087	2.9
121.08440	0.1
122.06010	0.5
124.03963	0.1
127.03889	0.1
130.06436	0.1
130.08620	0.1
131.04904	0.2
132.08040	0.6
133.08847	6.4
134.09207	0.1
135.04384	0.2
137.05943	0.3
144.08047	0.1
145.02846	0.2
145.04918	0.1
145.06410	0.4
146.09602	0.1
147.04393	0.3
147.10420	0.1
148.11182	100.0
149.11543	2.6
150.05449	0.8
150.11876	0.2
151.03912	0.1
151.06197	0.1
152.07010	0.2
157.06491	0.1
161.05986	0.2
163.03951	0.1
165.10164	0.4
167.07062	0.1
171.10408	0.6
172.11165	0.3
173.05951	2.0
175.03926	0.1
175.07521	0.2
176.07156	0.1
177.05472	0.5
177.07820	0.1
178.05795	0.1
185.05936	0.3
190.08598	1.7
191.06998	1.0
191.80835	0.1
195.06465	0.1
202.08577	0.8
203.06905	0.3
214.08678	0.2
215.11574	0.1
219.11279	1.1
220.09659	1.0
243.11276	0.3
247.18021	0.1
248.18338	0.1
261.19598	4.1
262.19861	0.1
262.26007	0.1
275.17487	0.2
276.17914	0.1
280.09732	0.1
287.05426	0.1
289.19058	7.1
290.19446	0.1
349.15445	0.4
366.18082	1.0
367.16409	1.1
377.14868	0.2
384.22604	0.1
394.17538	2.9
395.15967	0.6
412.18604	6.6
413.18866	0.2
424.18692	0.1
425.18732	0.3
426.19070	0.3
490.23285	0.1
507.26099	0.1
525.26691	0.2
531.29565	0.2
654.36212	0.5
665.32977	0.2
682.35840	4.7
683.35004	0.3
700.37048	1.2
708.03052	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.3
55.01855	2.2
55.05265	0.9
55.05500	11.8
57.03430	18.3
57.07066	40.1
67.05494	21.9
69.03419	2.6
69.07057	10.0
70.47619	1.5
70.48016	2.9
71.01318	1.9
71.04972	2.2
71.08617	29.8
73.02907	1.1
79.05019	0.8
79.05481	11.5
81.03405	77.2
81.07041	24.7
83.04955	5.2
83.08605	23.7
85.02879	4.6
85.06530	1.0
85.10166	14.4
87.04457	0.9
89.06005	1.5
91.05468	14.6
93.07040	8.1
95.01308	1.1
95.04948	24.2
95.07990	1.6
95.08588	23.3
97.02872	4.3
97.06512	2.6
97.07162	0.7
97.09576	0.8
97.10148	8.4
98.20826	0.9
99.08055	1.3
99.11697	1.1
105.07011	11.6
105.70975	0.8
107.04945	5.6
107.08575	5.1
109.02861	0.9
109.06507	3.1
109.10136	10.3
111.04436	1.9
111.08064	6.8
111.11695	1.0
113.02343	1.2
115.05443	1.9
117.06979	2.4
119.04922	1.2
119.08569	12.1
121.06475	2.5
121.10143	5.8
123.03609	0.7
123.04377	4.3
123.08009	1.1
123.11707	2.7
125.09615	2.1
129.06984	8.6
131.04819	1.0
131.08553	8.7
133.06508	3.4
133.10124	4.7
135.07999	1.9
135.11647	1.8
137.05991	1.2
137.09605	1.4
137.13240	1.2
141.01823	2.6
142.07758	1.6
143.08563	1.2
145.06467	1.0
145.10114	1.9
147.04362	1.9
147.08028	2.8
147.11658	5.7
149.09555	3.3
149.13289	0.8
151.14838	0.8
155.08540	0.7
157.10143	8.2
161.05939	1.6
163.11172	2.3
165.12674	1.7
175.03835	1.1
175.11174	9.2
176.42921	0.8
177.12715	1.1
181.12216	0.7
189.12706	1.1
191.10797	0.7
193.12207	34.6
203.10593	0.9
211.13240	6.6
217.12175	1.3
223.13338	1.0
227.12749	1.0
235.13298	6.4
239.23697	5.9
249.14850	2.9
257.24722	2.2
259.13248	1.8
267.15878	100.0
268.16116	1.3
271.13174	2.1
277.14352	1.9
285.17001	1.0
287.12717	2.0
289.14264	3.8
301.10217	0.7
305.13794	2.1
309.16843	4.1
313.27313	97.9
314.27728	2.0
315.12198	1.8
333.13315	2.0
351.87170	0.8
407.17224	1.0
425.18073	1.5
443.19113	4.0
489.30353	1.3
496.30011	0.9
505.38815	64.1
506.38940	1.5
523.39911	6.5
547.39697	5.2
587.46008	1.4
601.40533	1.4
627.38440	1.9
681.42755	1.1
699.42877	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	699.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01865	2.6
55.05504	12.3
57.03429	20.6
57.07067	35.2
65.03940	1.4
67.05495	29.9
68.05801	1.4
69.03425	3.3
69.07053	14.9
71.01339	2.2
71.04986	3.3
71.08619	26.2
71.81039	1.7
73.02910	1.9
75.04428	1.2
79.05492	17.4
80.05811	2.1
81.03409	72.1
81.07044	31.2
82.07401	2.2
83.04973	5.8
83.08608	20.9
84.74001	1.4
85.02901	4.4
85.06525	2.3
85.10169	15.9
91.05459	19.0
91.22868	1.1
92.05796	1.3
93.07030	17.5
94.07372	2.7
95.04959	25.6
95.08595	26.8
97.02893	3.8
97.06516	2.6
97.10156	8.8
99.08076	2.4
99.11710	1.4
105.07025	14.8
107.04956	5.3
107.08575	10.7
109.06522	3.2
109.10142	13.0
111.08080	6.7
111.11734	1.8
113.02344	1.6
115.05429	2.5
117.07004	3.6
119.04916	1.8
119.08566	12.5
121.06499	2.5
121.10132	10.8
123.04423	3.2
123.08048	2.7
123.11693	3.0
125.09612	4.0
129.07018	6.6
131.08549	10.4
133.06487	2.5
133.10083	8.7
135.08041	2.2
135.11696	2.6
136.06143	1.8
137.05896	1.3
137.09587	2.3
141.01776	2.0
142.07753	4.0
143.08499	1.6
145.10127	3.7
147.08047	3.4
147.11639	6.8
149.09654	4.4
149.13242	1.9
151.11098	1.4
157.10092	8.1
159.11736	2.9
161.13290	1.7
163.11166	2.7
175.11171	8.1
175.14813	1.6
184.07339	1.6
189.11230	1.6
189.12816	1.4
193.12230	27.0
227.12773	3.7
229.14349	3.9
235.13327	4.6
239.23633	5.8
241.14322	5.5
242.14685	2.5
249.14819	2.1
261.22244	1.7
263.95496	1.2
267.15881	96.6
268.16296	3.2
270.17996	1.4
271.13248	2.6
277.14203	1.4
277.21497	2.1
278.21869	1.5
287.12656	1.8
289.14328	3.6
305.13748	1.9
309.17090	2.6
309.90970	1.1
313.27316	100.0
314.27863	1.4
333.13412	1.9
335.25714	3.5
336.26074	1.5
345.16861	1.5
351.25256	1.7
352.25305	1.5
407.17242	1.8
443.19009	3.4
502.36121	3.7
505.38812	64.5
506.38876	2.6
546.38501	3.6
547.39624	3.7
601.40863	2.3
627.38629	1.7
667.27533	1.7
699.43665	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	699.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01844	4.4
55.05502	18.6
57.03188	1.7
57.03429	18.8
57.07069	48.1
59.66411	1.2
65.03909	1.4
67.05495	36.3
69.03419	11.6
69.07055	16.3
71.01335	6.3
71.04967	5.3
71.08621	36.3
71.80118	1.7
73.02930	1.5
75.32036	1.2
79.05478	23.9
81.03404	81.0
81.07043	43.2
81.07525	1.6
82.03723	1.5
83.04963	13.3
83.08613	33.1
85.02892	25.8
85.06512	2.7
85.10165	20.0
91.05463	29.9
93.07030	19.3
95.01328	7.6
95.04379	2.3
95.04951	32.9
95.08591	34.4
97.02885	13.9
97.06494	4.8
97.10155	12.1
99.04411	2.1
99.08066	2.0
99.11707	1.3
102.41706	1.3
103.03928	2.4
105.07011	22.7
106.07307	1.3
107.04956	8.5
107.08577	11.9
109.06496	4.8
109.10136	18.5
111.04408	5.4
111.08071	8.9
111.11707	1.9
113.02342	4.5
115.05394	2.0
117.06989	3.0
119.04865	1.4
119.08572	19.0
121.06496	1.9
121.10123	14.3
123.08012	3.3
123.11659	7.6
125.02357	6.3
125.09605	1.9
129.06981	13.3
131.08548	12.2
133.06474	2.3
133.10101	13.3
135.08026	1.2
135.11714	2.6
135.36937	1.1
137.09636	1.9
137.13264	2.4
141.01793	19.8
141.06927	1.4
142.07744	3.7
143.03343	1.4
145.10086	4.3
147.07980	4.6
147.11655	23.3
149.09587	12.0
153.12698	3.0
157.10104	18.4
163.11134	4.0
165.12720	5.2
175.11160	19.9
181.12234	2.3
191.10681	2.4
193.12206	57.0
193.13979	2.8
204.67900	1.2
206.15332	1.3
211.13261	64.2
215.05560	1.5
223.13193	1.6
227.12761	6.8
235.13203	3.1
239.23647	7.5
249.14888	2.3
257.24518	1.5
266.78607	1.3
267.15872	59.0
268.16183	1.8
283.15750	1.9
285.16913	12.7
289.14386	2.1
305.13794	2.6
313.27310	100.0
314.27582	3.0
315.12213	2.1
333.13281	2.9
341.15756	2.1
341.26675	2.9
369.15463	7.9
425.17773	3.1
443.19019	17.7
505.38791	39.8
506.38965	3.3
523.39886	88.7
524.40198	5.8
681.41669	5.8
699.43579	32.0
700.43005	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.4
53.03930	5.3
54.59672	1.1
54.80700	1.1
55.01868	6.9
55.05503	32.9
57.03421	10.7
57.07065	8.9
65.03915	5.4
67.05493	90.7
69.03399	2.7
69.07054	32.7
71.04974	7.4
71.08620	24.0
71.80762	1.7
77.03898	2.1
79.05477	64.3
81.03398	7.9
81.07043	100.0
83.04965	17.0
83.08604	25.1
85.06511	7.0
85.10175	1.4
91.05465	47.2
93.07029	77.0
94.07398	1.3
95.04951	21.9
95.07988	2.6
95.08591	47.5
97.06511	12.1
97.10148	11.4
99.08072	20.8
105.07009	32.8
107.04927	4.9
107.08574	42.0
109.06490	9.4
109.10131	17.2
111.08041	9.4
111.11730	1.2
113.06043	1.3
113.09643	3.1
113.38285	1.1
115.42400	1.3
117.07001	16.1
119.08567	24.8
121.06472	4.0
121.10135	19.7
123.08064	4.2
123.11694	7.3
125.09589	6.9
129.07014	7.1
131.08528	21.6
133.06453	2.1
133.10094	23.7
135.08041	4.0
135.11700	15.5
137.09586	3.5
137.13199	1.4
139.11148	5.7
141.12679	1.4
142.07773	1.1
143.08537	5.7
145.06514	1.6
145.10106	11.7
147.08009	2.4
147.11642	13.2
147.23640	1.4
149.09627	3.2
149.13223	23.6
151.11142	24.1
152.63266	1.4
153.09145	1.3
153.12715	1.7
155.08569	3.2
157.10101	6.8
159.11670	15.2
161.13237	12.2
162.10245	1.1
163.11160	10.9
163.14828	1.9
165.12712	4.0
167.10695	1.8
169.10066	2.9
171.11690	6.1
173.11803	1.5
173.13232	3.5
175.11160	1.2
175.14816	4.6
177.12749	6.1
179.14346	5.9
183.11671	2.7
185.13226	4.9
187.14708	2.7
189.11153	3.4
189.12738	1.7
195.13763	11.3
197.13188	2.4
199.14845	2.1
203.14284	2.6
207.13654	1.2
207.23610	1.2
213.14713	2.2
213.16560	1.6
217.19426	1.7
227.12733	9.8
228.56392	1.2
229.14214	2.1
231.20862	2.6
241.19505	5.0
243.09189	1.2
249.22119	2.2
251.16362	4.8
259.20535	9.0
261.22174	1.7
267.15924	1.7
269.17422	49.5
277.21591	29.9
293.20792	1.5
295.22574	2.5
313.27298	1.7
317.24661	1.5
333.24255	3.2
351.25266	36.8
367.24802	1.8
369.26328	3.8
371.25751	1.2
389.26709	1.5
391.64880	1.2
407.32806	1.2
421.25635	1.4
431.28003	2.6
435.32486	2.6
439.26657	2.1
445.29364	4.2
447.31369	3.2
449.28616	2.3
453.33521	3.5
463.30469	57.2
464.30743	2.3
505.45432	1.5
517.39221	2.2
527.37103	7.0
529.38599	2.0
545.38336	50.4
546.38196	1.9
563.39355	7.9
627.45709	3.2
698.42908	4.9
699.44104	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	698.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.00293	1.0
53.03937	5.5
54.06855	1.2
55.01870	7.1
55.05503	44.6
57.03432	13.2
57.07072	7.8
65.03929	3.4
67.05494	98.7
69.03410	4.1
69.07059	30.9
69.69537	6.1
69.69957	3.5
71.04992	7.8
71.08623	30.6
79.05004	2.4
79.05482	68.9
81.03418	9.4
81.07043	100.0
83.04971	17.8
83.05456	1.5
83.08607	27.3
85.02910	1.5
85.06525	5.4
85.10194	1.8
87.04463	1.3
91.05470	59.0
93.07031	80.5
94.07343	1.2
95.04953	20.4
95.08593	55.3
97.06513	15.0
97.10159	16.6
99.08073	24.3
105.07016	39.2
107.04935	4.9
107.08579	45.3
109.06509	7.7
109.10141	20.7
111.08067	9.4
113.09614	3.2
116.31020	1.2
117.06999	16.9
118.16667	1.1
119.08569	26.9
121.06498	5.2
121.10126	25.0
123.08065	5.0
123.11684	6.1
125.09605	13.0
127.04855	1.0
128.06221	1.4
129.06998	7.5
131.08548	20.4
131.09451	2.2
133.10115	27.3
133.11121	1.9
135.08046	5.2
135.11667	19.6
137.09612	2.7
137.13219	2.9
139.11156	4.4
143.08549	7.4
145.10100	13.5
147.07986	1.8
147.11667	16.8
149.09610	3.2
149.13229	20.8
151.11165	28.0
153.09079	2.5
155.08559	3.4
157.10130	6.9
159.11676	15.6
161.09584	1.9
161.13251	12.0
163.11153	13.5
163.14792	2.7
165.12724	3.4
167.08665	1.3
167.10632	1.6
169.10103	2.8
171.10414	1.6
171.11673	8.3
173.11743	3.1
173.13264	5.2
175.11150	2.4
175.14833	5.0
177.12717	6.8
179.14278	10.0
181.10101	1.5
183.11696	1.9
183.67038	1.2
185.13255	6.2
187.14832	2.4
189.11198	7.9
189.12576	1.3
193.12341	1.7
195.11902	2.6
195.13800	9.5
197.13239	2.1
199.14877	3.6
201.16257	1.8
205.12163	1.2
207.13725	2.3
211.14903	1.5
227.12730	19.5
229.14238	1.4
231.21114	3.9
233.15404	1.6
241.19475	4.7
245.13730	2.1
249.22174	2.1
251.16449	4.8
253.17952	2.3
259.20563	10.6
267.15863	2.4
269.17419	36.3
276.05203	1.2
277.21600	37.5
293.21185	1.3
295.22678	3.3
299.23764	1.5
303.23203	1.6
313.27292	2.2
317.24805	1.3
326.86371	1.3
333.24139	4.5
351.25290	39.3
353.24765	2.5
367.24792	4.8
369.26382	1.7
379.25171	1.2
421.25845	2.8
423.27112	2.1
425.33963	1.4
431.27972	3.2
435.32428	1.9
439.26669	2.1
445.29361	4.9
447.30826	5.2
449.28891	2.1
453.33691	3.3
461.28421	1.8
463.30536	37.1
464.32495	1.6
471.34525	3.6
489.35434	1.5
517.38806	2.4
521.34326	2.2
527.37274	6.1
529.38721	2.0
545.38293	50.2
546.38696	1.8
563.38745	7.4
627.46552	6.8
698.42810	3.2
699.43610	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	698.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99900	0.3
53.03933	0.8
55.05503	2.1
57.03403	0.5
57.07051	1.5
61.02903	1.2
65.18347	0.3
67.05500	2.0
69.03420	2.0
69.06766	0.3
69.07062	3.0
70.06600	2.1
71.04977	0.8
71.08601	0.9
73.02892	0.7
73.06538	1.3
79.05470	1.6
81.03397	0.9
81.07042	5.9
83.04963	0.8
83.08604	2.6
85.02890	6.7
87.04447	0.4
88.98556	0.3
91.05451	2.0
92.34052	0.4
93.07024	4.0
95.04951	0.5
95.08593	11.2
97.02865	2.2
97.10158	0.8
99.04461	0.6
103.05427	0.5
105.07008	5.5
107.08578	9.6
109.02831	0.7
109.06496	0.6
109.10140	6.2
111.04465	2.2
111.08036	0.6
112.04739	0.4
115.05415	0.4
115.90348	0.3
117.07007	1.7
119.08552	9.6
121.06505	0.7
121.09247	0.4
121.10121	8.0
123.08032	1.6
123.11682	3.5
125.05978	0.4
125.09593	4.2
127.03902	1.4
129.06985	1.3
131.04861	0.7
131.08546	3.6
133.08907	0.8
133.10114	5.3
135.08029	0.4
135.11665	5.6
137.05931	0.4
137.09636	0.4
137.13219	3.8
139.07515	0.5
139.11237	0.4
141.09056	0.8
143.08505	3.1
145.04916	0.6
145.10103	6.6
147.07999	0.7
147.11668	4.4
148.11182	12.0
149.09679	0.5
149.11523	2.6
149.13232	5.9
150.11929	0.4
151.11163	0.8
151.14780	4.2
153.09094	0.6
153.12718	2.0
155.08554	1.1
157.10112	2.7
159.08017	0.7
159.11673	4.7
161.09569	0.5
161.13223	6.4
163.07544	0.4
163.11096	0.5
163.14795	4.4
164.10669	0.4
165.09138	0.6
165.12764	0.6
165.16447	0.5
167.08478	0.4
167.10645	0.4
169.10127	2.8
169.12352	0.4
171.08098	0.5
171.10329	0.6
171.11659	4.8
173.09683	0.7
173.13239	8.4
174.13618	0.4
175.11150	1.0
175.14809	5.3
177.09045	0.3
177.12743	0.9
177.16374	1.4
179.10750	0.7
179.14272	2.4
181.10063	0.9
181.12343	0.5
182.10797	0.4
183.11674	3.2
185.09637	0.7
185.13243	3.5
187.07626	0.4
187.11201	0.5
187.14783	7.3
187.16331	0.7
189.09058	0.5
189.12743	0.8
189.16321	2.3
191.10652	0.5
191.14278	0.6
191.17947	0.4
192.10121	1.9
193.10146	0.4
193.12144	0.5
193.15799	0.5
195.11761	0.9
195.13618	0.5
197.13239	2.8
199.11224	0.4
199.14790	5.4
201.12796	0.7
201.16342	4.9
203.14302	0.5
203.17926	1.4
205.12306	0.5
207.11801	0.4
207.13803	0.9
209.13303	1.2
211.11131	0.4
211.14865	1.6
213.12721	0.3
213.16345	5.8
214.16821	0.4
215.10684	0.4
215.14687	1.7
215.17918	12.4
216.10185	0.5
217.12311	0.7
217.15802	2.7
217.19475	0.6
219.09340	0.4
219.13817	0.8
219.17371	1.2
221.15381	1.2
223.14795	1.8
223.16721	0.4
225.16287	2.5
227.14316	0.8
227.17934	3.9
229.12173	0.5
229.15912	1.0
229.19556	0.8
231.13899	0.5
231.17432	1.0
233.15346	1.1
235.16959	0.9
237.16292	1.8
239.17900	5.5
241.15819	0.6
241.19467	2.1
243.17392	0.7
243.21162	0.5
245.15369	0.8
247.16888	10.1
251.17979	1.0
253.19443	2.5
255.21013	0.8
257.19055	0.4
259.16925	7.0
261.15683	0.5
261.18457	8.5
263.16272	1.2
265.19479	2.4
267.21109	1.9
271.16907	2.4
271.19940	0.4
273.18372	3.0
279.21268	1.7
281.19055	1.1
281.22656	1.4
283.17017	0.5
285.18484	1.0
289.19266	0.7
291.16556	0.5
293.22638	3.0
295.20709	0.8
295.24194	2.6
297.18451	0.4
297.25681	0.7
299.19986	1.0
305.22672	0.6
307.20459	0.6
311.20023	1.7
313.21628	1.5
321.22018	1.3
321.25583	0.5
323.20142	0.5
323.23727	1.1
325.21545	1.2
327.19699	0.8
327.23123	1.1
335.27271	0.7
337.28806	1.3
339.23199	1.6
341.21036	0.5
341.24707	1.6
349.28848	4.1
351.30490	1.5
359.27179	0.6
365.28467	0.5
367.22739	0.8
367.29825	1.6
369.24222	0.4
369.31540	1.0
371.22070	0.5
377.28317	3.2
381.28009	0.9
383.29483	2.0
385.23749	0.7
385.30875	0.6
393.28061	0.4
395.29401	31.5
396.29724	1.2
397.30951	4.1
405.27832	5.0
406.28778	0.4
411.28894	1.2
413.30521	1.7
423.28885	22.7
424.29327	0.8
429.29959	1.4
441.29932	40.9
442.30243	1.4
447.79672	0.4
451.28226	2.1
459.30972	22.2
460.31335	0.8
469.29425	19.6
470.29736	1.2
473.32584	1.6
487.30481	100.0
488.30820	3.6
519.33032	0.8
680.42059	0.9
698.34619	0.7
698.44647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.1
55.74694	0.1
56.05023	0.1
57.03415	0.1
58.06575	0.1
60.29093	0.1
61.02881	0.1
67.05478	0.2
68.05002	0.5
69.03414	0.3
69.05802	0.8
69.07061	0.1
70.06564	0.3
70.90574	0.2
71.04986	0.1
72.08136	0.3
74.20348	0.1
79.05463	0.3
81.03403	0.3
81.07034	0.1
82.04138	0.1
83.04984	0.1
84.08130	0.1
84.87357	0.1
85.02892	0.4
85.06530	0.1
86.06078	0.1
86.09674	0.1
87.00814	0.1
91.05444	0.8
93.07021	0.3
94.06492	0.1
95.04982	0.2
95.08576	0.2
97.02871	0.2
97.06531	0.1
98.05956	0.1
103.05428	0.6
104.06215	0.2
105.07016	2.1
107.08570	0.2
109.02849	0.3
109.10164	0.1
110.06013	0.1
111.04361	0.1
114.09128	0.3
114.12778	1.7
116.06204	0.1
117.03349	0.1
117.07012	0.2
118.06525	0.1
119.04921	0.1
119.08517	0.1
120.08083	9.0
121.08437	0.2
121.10145	0.2
123.04462	0.1
125.05923	0.1
127.03899	0.4
130.06583	0.1
130.08585	0.1
131.04904	0.3
131.05791	0.1
132.08080	0.5
133.08847	6.9
134.09169	0.2
137.05937	0.5
140.07045	0.1
143.08559	0.1
144.08032	0.1
145.02817	0.3
145.04918	0.1
145.06442	0.1
145.10132	0.2
146.09610	0.2
147.04361	0.3
147.10414	0.1
148.11180	100.0
149.05969	0.1
149.11537	2.1
151.03902	0.1
153.05450	0.1
157.06474	0.1
158.07188	0.1
159.08002	0.2
161.05954	1.2
163.03899	0.5
163.07468	0.1
163.11191	0.1
165.05461	0.1
167.07016	0.2
171.10388	0.7
172.11217	0.2
173.09576	0.1
174.09113	1.1
175.03905	0.1
175.07539	0.1
175.14793	0.1
177.05452	0.6
185.05891	0.1
186.09047	0.1
187.07579	0.1
187.11157	0.1
189.09109	0.1
203.06981	2.1
203.11865	0.5
204.06831	0.1
204.10016	0.1
207.06508	0.1
213.03799	0.1
220.09641	3.6
221.10034	0.1
231.04822	0.1
232.09682	0.7
233.11728	0.1
243.11224	0.1
247.18024	6.2
248.18387	0.2
249.12323	2.9
250.12694	0.1
275.17496	9.2
276.17960	0.3
279.11093	0.1
313.11606	0.1
326.10944	0.1
328.13589	0.1
340.13477	0.1
350.18497	0.1
351.16934	0.1
354.11218	0.1
367.16473	0.3
375.09070	0.1
396.19110	2.2
424.18597	16.4
425.18777	0.9
523.25305	0.2
536.33264	0.1
540.23309	0.1
541.23505	0.6
698.35675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4297
Annotation	Bisglaucumlide G
Peak:m/z	Relative Intensity
53.03922	1.8
53.97699	0.7
55.01869	5.0
55.05501	8.6
57.03203	0.7
57.03433	9.3
57.07055	2.1
58.84771	0.9
59.05006	0.9
60.09071	0.7
61.02921	6.3
61.54724	0.7
65.03928	1.3
67.05496	14.5
69.03424	11.8
69.06785	0.7
69.07061	7.3
71.01350	1.9
71.04984	8.3
71.79652	0.8
73.02909	42.0
73.46918	0.8
77.03940	0.8
79.05479	10.0
81.03404	2.7
81.06599	1.4
81.07051	18.5
83.04974	17.0
83.08607	4.8
85.02899	9.2
85.06522	0.9
87.04449	2.3
91.05466	11.5
93.07037	22.0
95.04956	10.7
95.08596	30.2
97.02882	14.5
97.06529	2.7
97.10145	1.8
99.04449	16.0
103.03946	1.3
105.07022	19.6
106.07342	1.0
107.04957	1.5
107.08580	27.9
108.08927	0.9
109.06490	7.7
109.10139	20.7
111.04430	100.0
111.08073	2.3
112.04770	1.0
115.03907	8.1
115.05383	1.0
117.06996	3.9
119.08569	24.2
120.08910	0.8
121.06505	2.4
121.10127	26.4
122.10425	0.7
123.04420	1.4
123.08057	19.3
123.11684	13.0
125.05971	1.6
125.09614	1.3
125.77267	0.7
128.71611	0.7
129.05518	1.2
129.07002	1.8
130.07767	0.9
131.08560	8.7
133.04941	1.6
133.06529	0.7
133.10117	22.5
134.10478	0.8
135.04378	0.9
135.08037	8.2
135.11668	25.1
137.05962	3.4
137.09605	2.9
137.13246	3.9
139.07524	1.7
139.11119	1.1
141.06947	1.3
143.08543	5.9
145.06516	1.7
145.10098	15.3
147.08035	3.1
147.11682	11.3
148.11185	23.7
149.09671	4.2
149.11546	7.2
149.13237	6.3
151.07527	3.5
151.11205	0.8
152.08296	3.0
153.09067	1.6
155.08540	2.5
156.09329	1.8
157.10123	8.5
159.08017	4.4
159.11670	10.2
160.08817	1.3
161.09621	4.8
161.13234	7.0
163.07512	1.8
163.11157	4.6
163.14801	4.6
165.09111	5.5
165.12761	1.0
167.08591	1.2
169.10069	4.2
170.10999	0.8
171.08147	1.1
171.11661	9.0
173.09615	21.6
173.13220	7.8
175.07523	1.2
175.11166	4.3
175.14819	4.3
177.09088	3.6
177.12788	0.8
177.16405	2.4
179.10693	2.0
183.11748	3.1
185.09674	2.4
185.13214	5.2
187.11192	3.1
187.14810	7.2
189.09064	1.1
189.12737	1.7
189.16327	6.7
191.10718	3.2
191.17931	7.9
193.12239	1.9
195.11649	1.6
197.13264	2.6
199.11246	3.5
199.14821	3.5
201.12704	6.5
201.16365	4.6
203.10754	1.6
203.17909	5.7
205.12245	1.5
207.11890	0.9
209.13322	1.4
211.11156	1.0
211.14870	1.8
213.12807	4.1
213.16452	2.8
215.14250	4.6
215.17961	2.0
217.12279	2.1
217.15988	0.9
217.19487	2.7
219.13812	2.5
223.11261	0.8
223.14828	1.4
225.07623	2.4
225.12729	1.7
225.16364	0.9
227.14342	2.8
227.17970	1.6
229.16039	1.2
231.13913	1.9
233.15443	1.5
237.12669	0.9
239.14220	1.4
241.15875	0.8
243.13921	1.1
245.15355	1.0
247.16991	1.2
251.14397	0.9
253.15869	1.2
253.19540	1.8
255.21088	2.3
259.16922	1.0
261.19547	1.5
265.19659	0.8
267.21130	1.4
275.14096	0.8
289.18958	1.7
295.20404	0.9
313.21640	2.5
315.23154	4.3
355.26410	1.1
369.27887	2.2
395.29413	1.6
431.35303	1.0
435.33044	1.4
437.34177	1.4
449.28033	1.2
449.34146	1.2
455.35181	3.7
471.33524	1.0
483.31097	1.1
487.36227	1.0
489.33847	1.4
505.36676	1.4
511.35083	1.3
529.36877	5.9
533.36151	2.1
547.37701	9.4
551.37201	1.0
565.39160	5.1
585.37909	7.0
599.39398	10.2
611.39691	0.8
639.38928	11.0
640.39264	1.0
651.42377	1.0
655.41943	2.2
661.41180	1.2
669.43579	1.5
679.41962	43.7
680.42584	4.5
697.43121	62.0
698.43658	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	697.4291
Annotation	Bisglaucumlide G
Peak:m/z	Relative Intensity
53.03923	1.8
53.61697	0.6
55.01863	4.1
55.05506	7.8
57.03425	9.7
57.07050	1.8
58.75084	0.6
59.04997	0.8
61.02923	6.7
65.03912	1.9
67.05491	9.7
69.03073	1.0
69.03417	10.9
69.07057	7.6
71.01325	1.8
71.04980	8.6
73.02904	44.9
79.05052	1.0
79.05485	8.1
81.03392	1.9
81.07040	21.1
83.04965	13.8
83.08585	3.7
85.02889	9.0
85.06528	1.5
87.04450	1.4
91.05467	11.6
93.07025	22.1
95.04947	12.5
95.05503	1.2
95.08588	28.4
97.02874	11.5
97.06528	1.9
97.10155	1.3
98.21461	1.4
99.04436	16.5
99.08057	0.7
103.05457	1.3
105.07005	21.9
107.04959	1.0
107.08574	29.4
107.09310	1.6
109.06501	6.2
109.10135	20.3
109.10861	1.3
111.04420	100.0
111.08050	1.7
113.06067	0.7
115.03913	10.2
115.05390	0.8
117.06983	4.1
119.08564	28.4
121.06496	2.7
121.10120	26.3
123.08045	21.2
123.11681	14.2
125.05967	1.4
125.09692	0.8
128.06186	1.0
129.05453	0.8
129.07001	2.4
130.07787	0.9
131.08530	10.0
133.04956	2.0
133.06529	1.2
133.10106	22.3
135.08035	7.9
135.11664	24.6
137.05951	3.4
137.09599	2.3
137.13257	4.4
139.07545	2.2
139.11220	1.2
141.06938	0.7
142.07802	1.6
143.08566	5.7
144.09261	1.0
145.06435	1.8
145.10097	15.2
147.08017	2.6
147.11647	11.8
149.05989	1.2
149.09613	3.7
149.13237	6.9
151.07520	3.0
151.11148	0.9
152.08278	3.6
153.09093	1.7
155.08528	1.9
156.09341	2.1
157.10123	7.9
158.10840	0.9
159.08009	5.8
159.11684	11.3
160.08749	0.8
160.12010	0.7
161.09587	4.5
161.13239	6.9
163.07570	1.6
163.11160	4.8
163.14775	4.5
165.09081	6.0
167.10625	0.9
169.10085	3.3
170.10938	1.1
171.11678	8.3
173.09589	25.3
173.13203	8.2
175.11172	6.2
175.14774	4.5
177.09093	3.8
177.12749	1.0
177.16328	3.0
178.09871	1.4
179.10663	3.0
179.14253	0.9
179.62924	0.7
182.11026	0.7
183.11638	3.4
184.12450	0.6
185.09592	2.2
185.13206	5.7
187.11172	4.2
187.14764	6.8
189.09076	1.6
189.12737	2.1
189.16341	5.6
191.09021	0.7
191.10649	2.7
191.14281	0.9
191.17938	8.3
193.10141	0.8
193.12257	0.8
195.11684	1.6
197.13223	3.9
199.11140	3.4
199.14815	4.0
201.12723	8.2
201.16312	5.1
203.10574	1.1
203.14493	0.9
203.17862	4.8
205.12239	1.8
205.15910	0.8
207.11823	1.1
209.13295	1.7
211.11212	1.1
211.14801	2.7
213.12724	5.2
213.16278	3.3
214.13445	0.8
215.14305	3.1
215.17982	2.5
217.12230	2.3
217.15828	0.8
217.19489	1.8
219.13808	2.3
219.60332	0.8
221.13121	0.8
225.07573	1.4
225.12709	1.0
225.16359	1.3
226.68622	0.8
227.14346	2.6
227.17892	1.4
229.12335	1.1
229.15909	0.8
229.19524	1.1
231.13762	1.9
233.15283	1.5
239.14366	1.0
239.17914	1.0
241.15717	1.0
245.15479	1.3
247.16937	1.9
253.15820	0.9
253.19594	1.5
255.21098	2.1
257.15390	1.5
259.16995	0.9
263.17932	0.7
265.00461	0.6
267.21051	1.3
271.17050	0.8
307.24268	0.9
309.22028	0.8
309.25742	0.9
313.21747	2.1
315.23138	4.9
321.18555	0.8
339.19501	1.0
369.27850	4.4
435.32727	1.2
437.34082	2.0
449.34473	1.1
455.35211	4.2
505.36710	1.6
511.35590	1.9
529.36755	6.0
533.36212	1.4
547.37671	11.0
548.38031	0.8
551.37964	1.2
565.38611	5.2
585.37781	6.9
587.39246	1.1
597.37415	0.9
599.39398	11.3
611.39093	1.3
613.40381	0.9
621.37280	1.0
632.19495	0.7
637.40540	1.8
639.38733	8.7
640.39337	0.8
641.28033	0.7
651.42773	1.6
655.41650	3.1
661.41388	0.9
669.43286	2.4
679.41901	46.3
680.42230	2.8
697.42932	64.4
698.43042	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	697.4295
Annotation	Bisglaucumlide G
Peak:m/z	Relative Intensity
51.02370	0.9
53.00304	0.7
53.03929	1.9
53.53854	0.7
55.01852	4.0
55.05500	9.2
57.03429	9.1
57.07055	2.0
59.04961	0.8
61.02912	6.2
65.03919	1.4
66.93511	0.7
67.05490	10.7
69.03424	11.1
69.07061	9.0
69.49028	3.6
69.49455	4.4
69.73061	0.6
71.01334	2.4
71.04982	8.0
73.02905	43.4
77.03929	0.8
79.05485	8.6
81.03407	2.6
81.07042	21.1
83.04498	1.1
83.04967	14.7
83.08607	3.3
83.71544	0.7
85.02891	9.7
85.06514	1.3
87.04439	0.9
91.05460	12.9
93.07028	21.0
95.04948	13.1
95.05505	1.2
95.08593	28.8
97.02877	10.9
97.05991	0.7
97.06537	3.1
97.10152	1.8
99.04441	18.0
105.07012	18.5
107.04955	1.3
107.08572	27.3
109.02931	0.8
109.06510	7.7
109.10139	23.0
111.04424	100.0
111.08069	1.8
111.11653	0.9
115.03925	8.7
115.05394	1.1
117.06998	2.9
119.08565	23.3
119.09404	1.5
121.06492	2.0
121.10126	25.4
123.08044	21.3
123.11680	13.2
125.06016	1.3
125.09651	1.5
128.06168	1.4
129.05519	0.9
129.06995	3.1
130.07788	1.0
131.08536	9.1
133.04922	2.5
133.06505	2.2
133.10106	21.9
135.08054	7.9
135.11667	25.0
137.05940	3.8
137.09651	2.0
137.13191	3.6
139.07539	1.2
139.11125	1.3
141.06908	1.0
142.07773	1.2
143.08543	5.6
144.09279	0.8
145.06462	2.0
145.10100	15.5
147.08035	2.8
147.11667	12.4
149.09613	3.2
149.13216	6.6
151.07542	2.7
151.14767	0.8
152.08336	2.9
153.09097	1.6
155.08551	2.1
156.09319	1.6
157.10086	7.1
158.10915	1.3
159.08035	6.1
159.11650	12.8
159.28635	0.8
160.08806	1.0
161.09587	4.0
161.13239	9.4
163.07503	1.6
163.11131	5.0
163.14813	4.0
165.09103	5.6
169.08736	0.8
169.10124	3.2
169.11560	0.7
170.10889	1.1
171.08029	0.8
171.11647	7.8
172.12323	1.0
173.09601	23.4
173.13239	7.7
175.11183	5.5
175.14803	4.7
177.09108	4.0
177.12711	1.1
177.16344	3.5
179.10704	1.6
181.10085	1.5
181.12312	0.8
183.11708	3.0
185.09621	1.8
185.13206	3.7
187.11111	3.4
187.14783	7.9
189.09198	0.9
189.12769	2.2
189.16385	5.4
191.10657	2.4
191.14323	0.9
191.17921	7.0
193.12231	2.6
195.11760	2.3
197.13297	3.2
199.11203	2.3
199.14856	3.6
201.12706	7.7
201.16350	4.2
203.10692	1.5
203.14415	1.5
203.17961	5.6
205.12343	1.5
209.13309	2.2
211.11264	1.2
211.14920	2.1
213.12810	4.3
213.16418	2.5
214.13541	1.0
215.14317	3.2
215.17909	1.9
217.12210	1.7
217.19528	1.3
219.13805	3.6
223.14871	1.0
225.07539	1.8
225.12671	1.1
225.16341	1.4
227.14375	3.1
227.17856	1.6
229.12247	1.3
229.15999	1.6
229.19420	0.9
231.13843	2.1
233.15419	1.7
237.16389	0.9
239.14389	0.9
239.18028	1.4
241.15852	1.0
241.19543	0.9
243.13770	1.2
245.15364	1.8
247.17001	1.2
255.21109	1.2
257.15497	1.1
259.16949	1.8
265.19382	0.9
267.21167	1.1
273.18439	1.1
309.25784	1.3
313.21606	3.2
315.23224	4.5
353.15173	0.9
369.27951	4.4
395.29828	0.8
435.32828	1.6
437.34235	2.0
449.34439	1.5
455.35156	3.4
505.36978	1.5
507.35437	0.9
511.35736	1.5
529.36786	6.8
533.36633	1.7
547.37775	11.5
548.38324	0.8
551.37585	1.2
565.39081	4.8
585.37549	6.8
587.39008	1.1
599.39282	11.9
627.38574	1.0
637.40851	1.5
639.38800	12.4
651.43182	1.0
655.41510	1.8
661.40955	1.3
669.42944	1.3
679.24445	1.0
679.41931	46.1
680.42639	3.7
697.43115	61.0
698.43597	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	697.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.3
53.03931	1.4
55.01868	3.9
55.05503	9.9
57.03177	0.9
57.03426	9.6
57.07047	2.1
61.02918	5.4
63.24826	0.7
65.03922	1.5
67.05493	11.0
69.03421	10.3
69.07052	7.7
69.49340	6.2
69.49750	1.1
71.01336	3.1
71.04980	7.4
73.02905	43.0
79.05482	9.1
81.03388	3.2
81.07039	20.4
81.07526	1.0
83.04494	1.1
83.04964	12.5
83.08599	3.3
85.02895	9.4
85.06509	2.0
86.09689	3.2
87.04457	2.0
91.05462	13.3
93.07027	20.8
94.07330	0.8
95.04958	11.9
95.08592	26.7
97.02871	13.7
97.06493	2.2
97.10148	1.4
98.21489	1.6
99.04440	16.1
103.05441	0.8
104.10730	4.5
105.07008	17.5
107.04936	2.0
107.08578	28.9
109.02860	1.2
109.06506	8.0
109.10142	18.9
109.10861	1.4
111.04425	100.0
111.08037	1.8
111.11684	0.7
112.85513	1.0
113.09678	0.6
115.03895	8.3
115.05492	1.0
117.06996	3.6
119.04922	1.9
119.06104	0.9
119.08559	25.6
121.06472	3.7
121.10119	26.2
123.04423	1.5
123.08048	22.3
123.11674	14.7
123.12506	1.3
124.99980	1.6
125.05981	0.9
127.03915	1.0
128.06154	1.0
129.05510	0.8
129.06987	2.9
131.04897	0.8
131.08574	8.6
133.04958	2.3
133.06453	1.8
133.10101	21.3
135.08026	7.4
135.11673	22.5
137.05933	3.9
137.09636	2.5
137.13203	3.7
139.07527	2.2
141.82463	0.8
142.07780	2.1
143.08560	6.1
143.52760	0.7
145.02829	1.1
145.06476	1.1
145.10104	14.3
147.04442	1.6
147.08028	3.3
147.11665	11.9
148.11211	2.4
149.09599	3.1
149.13248	6.1
149.29829	0.7
151.07545	2.5
151.11122	1.4
152.08278	2.6
153.09099	2.1
153.12775	0.9
155.08554	2.8
156.09361	1.2
157.06435	0.8
157.10078	7.7
158.10861	1.0
159.07991	4.3
159.11661	11.7
160.08784	1.5
161.05972	1.2
161.09589	4.9
161.13248	8.0
163.03860	1.0
163.07545	2.0
163.11150	5.8
163.14815	4.5
165.09111	5.4
167.07076	1.0
169.10088	3.5
170.10887	1.0
171.08034	0.8
171.11676	7.4
173.09593	20.8
173.13232	7.1
175.03897	2.0
175.07593	1.6
175.11200	5.3
175.14832	4.3
177.05371	1.0
177.09100	2.5
177.12796	0.8
177.16389	2.5
178.09911	1.2
179.10645	2.8
181.10042	1.3
182.10773	1.0
183.11671	3.6
184.07317	5.4
184.12422	0.8
185.07765	1.2
185.09615	1.4
185.13216	5.1
187.11212	3.1
187.14818	6.5
189.09093	1.2
189.12729	1.3
189.16362	6.7
191.10716	1.9
191.14308	1.0
191.17914	8.1
193.12245	1.5
195.11729	1.3
197.13272	3.5
199.11133	3.0
199.14781	4.0
201.12747	5.4
201.16426	4.8
203.10718	1.2
203.14412	1.4
203.17941	4.0
205.12289	1.5
207.06499	4.9
209.13222	1.6
211.11057	1.1
211.14851	2.2
213.12740	3.4
213.16408	2.3
215.10806	0.8
215.14311	3.1
215.17856	1.6
217.12262	2.5
217.15828	1.1
217.19380	1.3
219.13823	3.4
223.11328	0.9
223.14847	1.1
225.07591	2.1
225.12744	1.5
225.16350	1.5
227.14325	3.0
227.17870	1.4
229.15872	1.3
231.13858	1.8
233.15393	2.1
235.14810	1.1
237.16499	1.1
239.17908	1.3
241.15817	1.1
241.19673	1.3
245.15410	1.0
247.16887	1.1
253.19495	1.8
255.21233	1.4
257.15369	1.3
273.18655	0.9
297.22034	0.8
307.17023	0.8
313.21707	2.2
315.23184	3.5
355.26425	1.2
369.27679	4.7
435.32495	1.9
437.34055	2.4
449.34122	0.9
455.35117	3.8
489.33591	1.2
501.37189	1.4
512.17712	1.0
517.31299	1.7
529.36609	6.0
533.36145	2.2
547.37695	10.9
551.37097	2.2
565.38660	4.8
585.37781	5.9
587.39197	1.4
597.38300	1.4
599.39349	12.1
637.40594	1.0
639.38641	9.8
651.42328	1.5
655.42334	2.5
679.41998	43.2
680.42328	2.7
697.43115	57.7
698.43542	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	697.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05497	0.9
67.05498	0.8
69.03413	2.8
69.07063	2.1
70.06570	1.4
70.76289	2.3
71.04979	2.0
72.08153	1.3
79.05490	1.2
81.03406	2.9
81.07019	0.8
83.04955	0.9
85.02896	5.1
85.06509	0.7
87.00854	0.8
91.05452	0.9
93.07053	0.7
94.06551	3.3
95.04944	1.7
97.02880	2.3
98.20985	1.4
99.04427	1.5
100.11234	2.5
105.07053	0.9
109.02886	4.1
111.04425	1.1
114.09124	0.9
114.12759	1.6
116.07118	0.9
119.04935	1.1
120.08054	0.9
122.06018	7.4
124.03919	0.9
127.03903	2.7
133.10049	0.8
136.04036	0.8
137.05949	1.9
140.07033	10.9
144.04381	1.8
145.02812	1.6
145.04910	2.0
145.52911	0.7
146.05965	5.4
147.04401	2.6
147.06670	0.7
148.07542	1.2
151.03940	0.8
151.07565	0.9
152.07013	2.5
153.01770	1.1
154.08630	1.0
156.10112	1.0
159.02905	0.8
161.05975	0.7
163.03880	5.1
163.07558	0.7
166.08681	0.7
172.03908	9.9
174.05524	2.8
176.07050	3.7
177.05403	3.6
178.08719	0.9
181.04889	0.8
181.08589	1.0
182.15369	1.5
182.86208	0.9
190.05046	1.8
194.08127	1.0
199.08694	0.8
204.06535	21.2
204.08333	1.4
206.08105	7.7
208.03079	0.7
210.14925	2.4
211.08702	0.8
215.11876	0.9
223.12370	1.1
225.10222	5.3
225.14044	0.8
227.16402	1.4
229.04922	0.9
235.08748	1.4
236.09419	3.1
237.10172	5.0
238.10921	1.1
239.11841	2.0
240.12579	3.1
241.09586	1.0
243.11342	3.6
244.88205	0.8
249.10326	2.7
250.11021	1.8
251.08057	1.0
251.08926	0.9
251.11740	12.5
251.14218	1.0
252.12508	1.2
253.09731	3.2
253.13362	1.0
263.11731	2.2
265.09717	10.0
266.10455	1.7
267.11230	4.1
269.09149	0.8
269.13000	1.1
277.09775	0.9
278.10461	2.9
279.11252	13.6
280.12003	3.1
281.12766	2.6
283.10757	4.4
285.12357	2.9
287.05457	11.2
287.10303	1.4
288.05777	1.3
291.11124	1.1
293.09256	5.3
293.12827	2.4
294.09906	1.7
295.10840	1.7
297.12274	8.2
299.10715	1.4
299.13754	5.0
301.11838	1.6
303.04974	12.7
303.13367	12.2
304.14471	1.1
307.10693	3.9
309.12354	3.7
311.10284	1.4
311.13724	1.0
312.11066	3.4
313.11801	5.1
318.15863	1.1
323.13925	0.8
324.11050	1.4
325.11786	22.2
327.13370	14.7
328.13834	1.3
331.12912	3.4
335.10150	1.9
337.11746	1.4
339.09326	1.1
339.13367	20.6
339.17319	1.4
340.14047	3.8
345.14413	14.9
346.15308	2.1
347.16440	1.6
353.11249	5.4
357.14563	2.4
360.17139	1.4
363.15674	1.0
367.12842	11.1
368.13602	5.6
369.14444	1.8
372.13495	1.4
373.14178	2.3
374.14755	2.6
381.25140	1.1
385.13858	14.4
386.14890	3.3
387.15924	1.9
388.16550	1.9
389.12405	1.7
399.15427	11.4
400.16373	2.3
402.14041	0.9
404.16174	1.3
406.17648	2.3
414.14426	3.6
415.15308	7.0
416.15921	8.7
428.16068	0.9
429.16827	1.2
430.17813	2.1
432.15396	1.5
433.16345	1.7
434.16833	1.3
446.17261	3.1
447.17252	1.0
456.15533	1.5
474.16458	7.8
475.17084	3.5
476.18121	2.0
506.19254	2.1
508.20752	2.9
540.23370	100.0
541.23682	7.9
573.22949	2.0
597.23218	0.9
615.24451	45.8
616.24744	4.4
647.26996	13.9
648.27271	1.7
697.27753	3.0
697.51312	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	697.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58052	0.4
67.05466	0.5
69.07043	0.9
70.06538	1.2
71.79761	0.4
72.08111	0.7
76.98566	0.4
79.05470	0.5
80.26540	0.3
81.03373	0.6
81.07001	0.9
85.02855	1.5
86.09681	1.0
91.05434	0.8
93.06989	0.8
94.06561	0.5
95.08588	0.5
97.02834	0.7
100.11234	0.6
105.06991	0.9
107.04841	0.4
108.08057	0.4
109.02843	0.8
111.04421	0.5
114.09083	0.9
114.12737	0.6
115.05467	0.5
116.07014	0.4
117.03347	0.9
119.04901	0.8
119.08563	0.6
120.04370	0.5
120.07995	0.5
122.05972	1.3
130.08585	0.8
131.04861	0.5
133.02791	0.5
133.10089	0.6
136.07518	0.5
137.02238	0.6
137.05959	2.6
140.07048	2.9
145.02847	1.8
146.05962	0.6
147.04367	1.1
148.07512	0.5
149.05901	0.8
151.03772	0.4
151.07486	0.4
152.07001	0.9
154.04858	0.5
154.08583	0.4
156.10088	0.4
161.05931	0.9
163.03888	1.6
163.07471	0.9
164.07008	0.8
166.08626	0.5
167.06978	1.2
172.03827	0.6
174.05446	0.8
175.03893	0.7
175.07480	0.5
177.05447	3.3
178.05772	0.6
179.08437	0.4
187.07533	0.5
188.07047	0.4
194.08084	1.1
199.98778	0.4
201.09085	0.5
204.06546	1.3
204.10225	0.5
206.08070	0.5
207.06413	0.4
210.14851	0.6
217.77203	0.4
222.11488	1.1
223.12332	0.4
225.10236	0.8
226.10776	0.5
233.10759	0.4
235.08627	0.8
236.09212	1.4
237.10199	3.9
238.10883	1.4
240.12270	0.4
243.11400	0.7
247.08578	1.1
248.09328	1.6
249.10226	7.2
250.10994	3.7
251.08014	0.4
251.11752	6.7
252.12485	1.7
253.09647	3.6
253.13608	0.5
261.10278	2.4
262.10965	3.0
263.11774	26.1
264.09543	0.6
264.12430	2.8
265.09677	7.7
265.13229	1.9
266.10336	0.8
267.11179	3.9
273.11349	0.4
275.08133	0.5
277.09680	7.5
278.06393	0.8
278.10400	4.3
279.07693	1.6
279.11224	13.5
280.11975	3.2
281.09769	0.7
281.12772	4.1
282.13629	2.9
283.10736	0.6
283.14081	0.5
285.12247	0.6
289.09607	1.5
290.10431	2.3
291.11258	10.3
292.11978	2.8
293.09109	3.9
293.12766	4.6
294.09891	1.5
294.13315	1.0
295.10690	8.6
295.14328	2.2
296.11404	1.6
297.12259	2.8
303.07581	0.9
303.13110	0.7
307.10712	4.4
308.11505	2.2
309.09024	0.7
309.12280	17.7
310.12759	1.2
311.10162	1.5
311.13885	2.1
312.11050	5.5
313.11511	0.7
318.10025	1.9
319.10809	0.7
321.12033	0.6
323.13858	18.1
324.10855	1.7
324.14590	1.2
325.11795	7.4
326.12366	0.8
327.13348	36.7
328.13849	1.4
331.12708	0.5
335.10196	5.5
336.11011	15.2
337.11749	7.0
338.12329	0.7
339.13364	51.1
340.13980	5.2
341.14972	3.5
345.14526	1.5
349.11716	1.0
351.13348	0.5
352.10556	0.9
353.11200	7.8
354.11975	1.0
355.12717	1.1
356.13544	0.5
357.14496	0.6
367.12848	57.5
368.13599	28.8
369.09708	0.6
369.14410	13.0
370.15192	1.4
372.28265	0.5
384.13046	0.6
385.13925	2.1
386.14542	0.6
399.15518	10.0
399.20801	0.5
400.15805	0.5
401.17163	0.9
415.15216	0.6
416.16153	0.7
430.17462	0.4
434.16742	0.6
448.18600	0.6
464.22336	0.5
467.20483	0.6
474.16476	0.7
476.18002	2.8
478.19785	1.9
480.21097	1.6
482.23077	0.7
489.19153	1.1
490.19946	0.8
493.18396	0.6
494.18921	0.8
508.20773	77.8
509.21170	3.1
510.22427	5.1
511.21942	0.4
526.21783	8.1
540.23370	100.0
541.23602	3.9
597.23450	0.8
615.24390	3.1
629.25958	1.6
633.25793	1.6
647.26910	1.4
665.28314	4.2
697.29980	0.6
697.52167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.54
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24965	0.2
53.03934	1.2
55.05500	5.1
56.05033	3.1
56.54472	0.2
56.63534	0.2
57.03393	0.4
57.07067	3.3
58.06548	0.8
60.04511	2.5
61.02889	0.5
65.03906	0.6
67.04207	0.4
67.05495	10.9
67.05830	0.4
68.04977	0.9
68.05792	0.3
69.03430	2.2
69.07055	6.4
70.06587	2.1
71.04988	0.4
71.08621	1.7
71.34640	0.6
72.04474	0.3
72.08100	0.7
73.02848	0.3
76.03988	0.4
79.05480	9.3
80.04996	3.0
80.05757	0.3
81.03387	0.5
81.05804	1.3
81.07042	9.2
82.06565	6.1
82.07297	0.3
82.83487	0.3
83.08167	0.3
83.08607	4.4
84.08103	0.5
85.02448	0.3
85.02885	3.5
85.10135	0.7
86.06030	0.3
91.04928	0.5
91.05465	8.2
93.05758	0.6
93.07027	8.8
94.06550	15.7
95.04960	1.6
95.07336	7.4
95.08591	8.2
96.08119	4.8
97.02870	1.6
97.06479	0.3
97.10146	2.3
98.05998	0.4
99.04420	0.4
100.07565	0.5
102.69464	0.3
105.06326	0.4
105.07009	6.3
105.08123	0.2
106.06513	0.3
107.00961	0.2
107.07307	0.4
107.08577	5.0
108.08111	2.5
109.02822	0.5
109.06444	0.3
109.10134	3.4
110.09579	0.5
111.08057	0.3
111.11654	0.7
117.06909	0.3
119.08559	6.0
121.08838	0.5
121.10124	5.1
122.09658	2.5
123.11674	1.5
127.03886	1.0
131.08562	0.3
133.10106	4.2
134.09605	0.6
135.10500	0.5
135.11642	2.8
136.11143	0.9
137.13174	0.8
145.04921	0.5
147.11661	1.8
149.13229	1.3
151.14793	0.3
161.13187	1.2
163.02185	0.2
163.14790	0.4
170.47469	0.2
175.14798	0.4
177.16316	0.4
189.16426	0.4
191.17877	0.3
193.19446	0.4
217.19328	0.3
219.21054	0.5
233.22617	2.4
234.22205	0.9
245.22600	4.4
247.24144	0.4
250.25276	6.1
251.25488	0.4
254.24745	1.1
258.45883	0.2
260.23682	0.5
262.25256	100.0
263.25723	4.3
264.26889	0.7
272.25787	4.1
280.26321	5.4
296.25980	0.3
312.25214	0.8
314.26956	0.5
315.35464	0.3
442.31723	1.2
486.46356	0.3
488.48569	0.3
498.46976	0.3
504.47659	4.5
516.47717	33.5
517.47974	2.5
518.49280	8.2
519.49811	0.7
534.48718	7.6
535.48914	0.6
541.61914	0.3
585.44452	0.3
696.53851	7.0
697.53906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.2
53.03933	0.9
55.01832	0.3
55.05499	6.0
56.05033	3.6
57.03399	0.4
57.07065	3.1
58.02921	0.2
58.06585	0.8
60.04226	0.2
60.04510	2.0
61.02888	0.5
65.03900	0.6
66.20036	0.1
67.04214	0.5
67.05492	11.0
68.05003	0.9
68.52858	0.2
69.03415	2.2
69.07055	7.7
69.60199	0.6
69.60636	0.7
70.06263	0.2
70.06578	2.0
71.04962	0.3
71.08622	1.7
72.04493	0.2
76.03972	0.3
77.03890	0.2
79.05477	9.0
80.05000	3.0
81.03415	0.8
81.05785	1.3
81.07039	9.0
82.06564	5.8
83.04948	0.3
83.08603	4.9
84.08143	0.7
85.02886	3.8
85.10174	0.8
86.06051	0.3
87.04457	0.4
91.03896	0.2
91.05462	7.9
92.05761	0.2
93.05746	0.6
93.06421	0.3
93.07027	9.5
94.06548	17.5
95.04942	1.2
95.07333	7.7
95.08588	8.0
96.08112	6.0
96.08782	0.3
97.02872	1.4
97.06479	0.4
97.10146	2.7
98.06010	0.4
99.04410	0.5
100.07555	0.5
103.05441	0.2
105.04444	0.3
105.07007	5.3
106.06555	0.2
107.07320	0.3
107.07903	0.3
107.08572	4.7
108.08092	2.9
108.08826	0.3
109.02843	0.3
109.06493	0.2
109.10135	3.1
110.09644	0.3
111.08016	0.2
111.11687	0.7
114.09112	0.2
117.06959	0.5
119.07725	0.3
119.08559	5.2
120.08009	0.3
121.08851	0.3
121.10119	5.5
122.09660	1.9
122.10464	0.2
123.11691	1.6
124.11153	0.2
125.13207	0.2
127.03881	0.9
131.08507	0.3
133.09152	0.3
133.10100	4.0
134.09621	0.4
135.10423	0.8
135.11639	2.9
136.11195	1.0
137.13275	0.7
145.04909	0.5
145.10075	0.2
147.11638	1.1
149.13206	1.0
150.12668	0.2
151.14769	0.4
161.13234	1.0
163.14784	0.5
175.14809	0.4
177.16295	0.2
184.39555	0.2
189.16367	0.3
191.17986	0.1
193.19504	0.4
217.19383	0.2
219.21085	0.8
220.20663	0.3
233.22643	2.6
234.22166	0.4
237.22099	0.3
245.22612	4.8
246.22836	0.2
247.06902	0.1
247.24078	0.4
250.25246	6.1
251.25560	0.3
254.24661	1.4
260.23785	0.3
262.25247	100.0
263.25659	5.4
264.26883	0.7
272.25787	5.3
273.26105	0.3
280.26297	5.5
281.26624	0.5
282.24155	0.4
296.25677	0.3
310.27414	0.4
312.25204	1.0
314.26862	0.3
348.28690	0.4
350.30478	0.2
368.31503	0.3
442.31583	0.6
486.46503	0.2
498.46625	0.2
504.47668	4.2
505.48355	0.4
516.47693	29.1
517.48059	4.1
518.49231	8.5
518.57147	0.3
519.49658	0.9
534.48700	7.3
535.49451	1.0
550.96802	0.2
556.85278	0.2
558.31421	0.2
696.53833	6.1
697.54358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44352	0.8
52.52792	0.8
53.00269	0.9
53.03945	4.9
53.15212	0.9
55.01856	7.1
55.05503	30.7
57.03432	11.4
57.07065	5.8
65.03935	4.4
67.05497	85.9
67.42648	1.0
69.03410	2.8
69.07058	34.8
71.04980	7.5
71.08622	11.3
73.02916	0.9
79.05482	61.2
80.05807	1.2
81.03416	8.5
81.07044	100.0
82.07359	1.8
83.04972	15.2
83.08155	1.7
83.08611	19.8
85.02867	1.2
85.06527	4.9
91.05469	53.7
93.07030	73.2
95.04953	19.1
95.08594	45.5
97.06522	17.3
97.10163	7.3
98.20634	1.8
99.08089	13.4
103.05466	1.4
105.04518	1.7
105.07015	38.5
107.04918	7.4
107.08576	38.2
107.09310	1.4
109.06490	7.6
109.10139	16.7
111.08068	8.3
113.09638	2.1
115.05425	2.5
117.06265	1.4
117.07008	20.0
119.08566	28.5
121.06499	4.9
121.09243	1.4
121.10128	21.8
123.07222	1.0
123.07990	5.3
123.11690	5.7
125.09621	4.7
128.06184	2.8
129.06969	7.1
130.07816	1.2
131.08549	24.2
133.06422	1.1
133.10104	27.9
135.08025	5.4
135.11670	20.3
137.09570	4.8
137.13235	1.7
139.07588	1.5
139.11111	4.1
141.06992	1.7
142.07733	0.9
143.08539	7.0
144.09273	1.2
145.06407	1.4
145.10104	17.3
147.08011	3.3
147.11650	16.3
149.09575	8.8
149.13234	21.1
151.11156	14.0
155.08511	3.2
157.10117	6.9
159.07982	1.1
159.11685	16.4
161.09604	1.6
161.13232	8.6
163.11154	12.8
163.14838	1.5
165.12677	2.8
167.08588	1.3
169.10100	3.2
171.10287	1.2
171.11674	7.4
173.11725	2.2
173.13216	4.5
175.11150	3.6
175.14777	2.5
177.12790	6.1
179.14290	6.1
181.10010	1.7
181.12230	1.7
181.20526	0.9
183.11670	2.9
185.09529	1.0
185.13202	5.3
187.14876	2.3
189.11176	2.9
189.12663	2.0
189.16386	1.2
192.57620	0.9
193.07117	0.9
193.12068	1.2
195.11923	1.5
195.13791	10.1
197.13228	2.6
199.14796	1.5
205.16029	1.2
207.11655	1.1
211.14854	1.3
213.14758	1.7
213.16591	1.5
227.12660	4.7
229.19521	1.5
229.47754	0.9
231.21053	1.5
239.17902	2.5
241.19394	2.1
247.20561	1.9
251.16336	4.0
253.17993	1.1
255.15823	9.0
257.18906	7.5
259.20541	6.0
263.19998	1.7
267.15958	3.1
269.17429	42.7
270.17783	2.3
275.20023	20.2
277.21609	14.3
281.67639	1.0
293.21057	2.7
299.23557	1.2
305.20944	1.1
331.22629	1.7
349.23621	17.4
351.25232	17.6
365.44534	1.1
367.24799	4.8
369.26169	1.3
423.27255	1.2
431.27725	2.2
433.30096	1.6
435.31961	1.1
445.29456	3.6
447.30991	1.7
449.28967	17.1
463.30508	39.8
464.30588	2.7
479.29660	1.1
525.35767	3.1
527.37134	3.7
529.38794	1.0
531.36725	3.9
543.36792	20.0
544.36835	1.2
545.38287	15.6
546.38947	1.2
561.37750	6.5
563.39496	1.3
625.44629	3.1
643.45190	2.6
697.42511	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	696.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
53.40912	1.5
55.01864	9.8
55.05500	50.7
55.62210	1.1
57.03430	14.3
57.07059	4.9
59.04984	1.8
65.03916	4.4
65.09322	1.1
67.05494	98.5
69.03413	5.5
69.07056	47.0
71.04980	7.7
71.08622	15.9
71.30520	2.1
72.94933	1.1
73.02892	1.4
77.03888	1.6
79.05479	70.0
81.03413	8.7
81.07042	100.0
83.04973	15.2
83.08606	31.1
85.02869	1.4
85.06543	6.0
85.10154	1.8
91.05464	65.7
93.07029	79.1
95.04954	21.7
95.08588	52.7
97.06503	17.4
97.10153	29.1
99.04411	1.2
99.08085	16.2
103.05444	2.4
105.07014	59.3
106.07355	1.6
107.04947	9.3
107.08576	61.8
109.06493	8.1
109.10146	22.1
110.10472	1.5
111.04401	1.2
111.08086	9.0
113.09608	3.0
115.05424	2.6
117.06997	22.3
119.07719	2.6
119.08565	44.0
121.06501	4.8
121.10121	25.3
123.08029	5.3
123.11674	7.5
125.09613	24.1
128.06133	1.8
129.06995	10.2
130.07722	1.8
131.08542	29.1
133.06451	3.0
133.10110	34.5
135.08052	8.1
135.11655	20.7
137.06007	1.3
137.09602	5.1
137.13222	2.0
139.11174	4.2
141.06972	3.2
141.12711	1.3
142.07692	1.4
143.08554	10.1
143.72672	1.2
144.09279	1.7
145.06445	2.1
145.10109	25.2
147.08005	2.9
147.11665	18.0
149.09595	15.8
149.13226	18.4
151.11154	16.8
153.09039	2.4
155.08498	6.0
157.10103	8.3
159.08041	1.6
159.11647	16.0
161.09624	1.8
161.13229	13.4
163.11165	17.8
163.14784	2.3
165.12704	2.9
167.08478	1.6
167.10698	1.8
167.14476	1.3
169.10094	6.8
171.10254	2.5
171.11642	10.6
173.09584	1.7
173.11734	3.4
173.13246	8.2
175.11133	2.6
175.14812	3.3
177.12679	7.0
179.14346	8.5
181.10106	1.9
183.11705	4.2
185.13254	5.2
187.11145	1.6
187.14796	5.5
189.11185	15.4
189.12653	2.3
191.14272	1.4
193.12183	1.8
195.11887	2.2
195.13774	7.2
197.13200	4.1
199.14841	3.9
201.16386	1.5
203.14236	2.1
205.12259	1.6
213.16527	1.8
217.15884	1.7
227.12729	44.6
229.14319	3.9
229.19391	2.2
239.17917	3.8
241.19469	3.6
245.13823	5.0
247.20599	1.6
251.16273	3.4
253.17958	3.8
255.15877	3.0
257.18909	7.8
259.20648	5.7
267.15829	2.6
269.17450	24.4
275.20016	39.8
277.21552	18.7
291.19623	1.4
293.21042	5.2
295.22601	1.9
296.73538	1.2
303.23453	1.5
311.51581	1.4
331.22580	2.7
339.23050	1.9
349.23669	28.4
351.25235	24.7
351.29382	2.2
365.23355	2.3
367.24741	3.7
421.25705	4.2
423.27292	2.8
431.27823	2.9
439.26730	5.1
445.28976	1.5
447.31476	5.8
449.28787	3.7
451.32001	2.4
453.33615	1.5
463.30612	7.4
469.33063	1.8
485.32483	1.3
505.39023	1.6
515.37378	2.4
517.38904	1.7
519.31927	1.6
525.35339	3.5
527.37018	3.6
529.39313	1.8
531.36768	3.8
543.28931	2.4
543.36761	35.1
545.38483	12.2
561.37427	3.4
563.38849	1.3
625.44318	7.5
643.45508	2.6
697.41949	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	696.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03929	4.7
55.01858	10.5
55.05501	38.4
55.15158	0.9
57.03423	13.9
57.07068	6.2
57.07296	0.9
59.04974	1.2
60.02630	0.9
65.03932	2.9
67.05492	88.3
68.05827	1.1
69.03417	3.7
69.07057	38.1
70.93548	2.7
71.04979	6.9
71.08615	16.7
79.05479	68.5
80.06294	1.1
80.14087	0.9
81.03398	8.9
81.07041	100.0
82.07378	1.7
83.04966	17.0
83.08605	21.4
85.06532	4.3
85.10170	1.4
91.05464	59.3
92.05807	0.9
93.07026	73.7
94.07348	1.0
95.04946	21.6
95.08592	52.9
97.06509	19.9
97.10150	17.7
97.72551	0.7
98.42200	0.9
99.08073	12.5
99.53936	0.9
103.05434	1.6
105.04515	1.1
105.07009	45.3
106.07354	1.5
107.04928	8.1
107.08575	49.9
109.06503	8.2
109.10139	20.0
110.11985	0.9
111.04440	1.1
111.08080	6.9
111.11691	1.6
113.05970	1.4
113.09644	2.5
115.05428	2.0
117.06984	21.8
117.07773	1.5
118.07304	0.9
119.08556	34.4
121.06490	5.5
121.10130	23.7
123.08051	6.3
123.11706	5.7
125.09608	12.0
128.06204	1.7
129.06999	11.0
130.07776	1.6
131.08545	27.1
133.06445	1.3
133.10107	31.1
135.08020	5.5
135.11664	18.2
137.09593	4.0
137.13258	1.3
139.07555	1.1
139.11160	3.6
141.06972	2.5
142.07784	1.9
143.08556	7.8
144.09305	1.0
145.06407	1.4
145.10098	19.6
147.08067	1.7
147.11662	16.8
149.09581	11.3
149.13235	16.3
151.11139	13.8
153.12714	1.5
155.08559	3.4
157.10115	7.7
159.07962	1.7
159.11667	18.2
161.09619	2.1
161.13232	10.5
163.11154	11.4
163.14807	1.7
165.12695	5.3
169.10106	3.9
171.11642	7.8
171.39174	1.0
173.09615	1.9
173.11696	2.2
173.13243	7.0
175.11205	3.1
175.14801	3.9
177.12691	5.9
179.14307	6.2
181.10097	1.5
181.12309	1.0
183.11674	3.6
185.13222	4.9
187.14774	2.5
189.11240	6.7
189.12714	1.8
189.16364	1.7
193.12180	1.9
193.15863	0.9
195.11769	2.4
195.13795	10.0
197.13274	3.4
199.14839	3.2
201.16373	2.2
203.14275	1.8
203.17812	1.7
205.12099	1.0
209.13281	1.0
211.14778	1.9
213.14648	1.3
213.16521	1.4
215.14339	1.0
219.13824	1.0
227.12718	18.2
229.14169	1.2
229.19476	1.2
231.21080	1.0
233.15387	1.6
235.16898	1.0
237.33456	0.9
239.17918	3.7
241.19519	3.3
245.13879	2.8
247.20465	2.2
251.16449	2.8
253.17943	1.3
255.15831	9.0
257.18948	7.4
259.20517	6.3
261.18750	1.1
267.15872	4.1
269.17410	30.7
273.18640	1.1
275.20004	24.4
276.20468	1.2
277.21582	19.2
278.22000	1.0
293.21036	3.1
315.23303	1.0
329.24936	1.4
331.22635	1.6
335.25589	1.2
339.23358	1.1
349.23706	17.3
351.25266	20.2
357.24161	1.4
365.22882	1.1
367.24738	3.3
369.50836	1.0
421.25931	1.3
425.34000	1.2
431.27710	3.0
439.26654	3.1
445.29135	1.8
447.30917	2.9
449.28885	13.0
461.28680	1.1
463.30475	23.3
464.31021	1.3
469.32947	1.3
471.34491	1.6
487.34180	1.2
505.38779	5.8
517.38684	3.4
525.35547	2.3
527.37299	4.4
531.36481	5.1
543.36877	18.6
544.37189	1.4
545.38403	16.3
551.41071	0.8
561.38000	5.4
563.39337	1.7
597.44995	1.1
625.44702	4.3
643.44897	3.1
697.42279	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	696.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.5
55.01873	13.7
55.05505	33.3
57.03426	12.9
57.07057	8.0
65.03937	4.6
67.05492	100.0
68.05827	3.4
69.03415	7.8
69.07053	31.4
69.97607	2.1
71.04982	8.1
71.08617	17.0
71.80251	2.6
73.68678	1.8
76.03527	1.9
78.37770	2.2
78.43430	1.8
79.05481	64.3
81.03408	14.1
81.07043	98.9
83.04972	19.1
83.08601	17.8
85.02894	2.1
85.06539	8.2
85.10148	3.7
91.05463	62.6
93.07027	68.2
95.04958	30.0
95.08595	56.7
97.02890	2.9
97.06503	13.3
97.10148	9.0
99.08096	15.3
103.05396	2.1
105.07009	43.7
106.02450	1.9
107.04940	16.1
107.08572	48.6
109.06507	10.0
109.10136	38.6
111.08061	7.7
113.09681	4.9
117.07007	13.9
119.08563	23.7
120.02178	2.4
121.06495	5.6
121.10135	22.6
123.04448	4.9
123.08045	14.8
123.11681	9.1
125.09624	8.2
127.07513	3.4
129.07001	5.8
131.08559	22.2
133.06473	3.0
133.10114	58.8
135.08029	4.9
135.11638	14.5
137.05942	4.6
137.09619	11.3
137.13304	2.8
139.11137	3.6
139.24095	1.9
141.06989	2.2
143.08563	5.5
145.10094	11.6
147.08012	3.8
147.11679	11.1
149.09618	7.0
149.13240	13.9
151.11150	41.0
151.12265	3.9
153.12637	2.5
157.10127	4.4
159.11667	12.3
159.63136	1.8
161.09601	4.5
161.13248	7.9
163.11133	15.0
163.14801	5.7
163.88615	1.8
165.09106	4.3
165.12732	3.9
167.14305	3.1
169.12233	5.1
171.11607	3.0
173.09662	2.2
173.13235	4.8
175.11179	2.7
175.14775	2.6
177.12758	8.4
179.10622	3.7
179.14297	7.6
181.12192	1.9
185.13177	2.6
187.14847	3.1
193.12193	2.7
195.13739	5.6
215.17921	2.5
227.12700	2.6
235.13316	2.6
236.13655	2.3
247.20531	6.0
251.16449	3.1
253.14304	33.7
257.18881	4.4
259.20459	5.7
262.07886	2.1
269.17374	22.5
275.19995	39.7
277.21558	14.0
293.21082	19.4
295.22586	2.3
333.24203	3.0
335.25778	4.3
341.30133	3.1
342.30789	3.5
349.23605	12.2
351.25256	31.0
367.24741	26.0
387.08002	2.2
465.28528	4.2
529.38715	6.1
543.36566	11.5
547.36060	4.5
561.37799	91.4
562.37897	5.5
625.44690	3.9
643.45764	9.3
697.41327	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	696.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
53.13341	0.8
54.06989	0.9
55.01871	4.7
55.05502	19.7
57.03431	5.0
57.07076	4.5
57.07327	0.9
58.78849	0.8
60.05643	1.2
60.08155	4.9
65.03932	2.1
67.05495	38.4
69.03410	2.9
69.06676	1.4
69.07058	20.0
71.04977	3.6
71.08622	26.2
71.80826	0.8
79.05482	29.2
81.03398	4.9
81.07046	35.6
83.04973	9.1
83.08611	9.8
85.06531	2.4
91.05471	22.4
93.07032	30.8
95.04963	8.4
95.08598	20.6
96.08923	1.2
97.06520	7.6
97.10157	9.7
97.99535	0.8
99.08083	17.5
105.07016	16.4
107.04934	4.2
107.07906	1.3
107.08591	17.3
108.05756	1.1
109.06483	4.7
109.10130	9.2
111.08069	3.0
111.11712	1.2
111.21769	0.9
113.09600	2.3
117.06988	6.2
119.08558	10.7
121.06514	4.5
121.10137	10.2
123.08028	2.5
123.11698	2.1
125.09634	5.9
128.06223	0.8
129.07004	2.5
131.08539	9.3
133.10118	10.0
135.08047	2.4
135.11678	7.6
137.09572	1.6
139.11165	2.3
141.07010	0.9
141.12715	1.1
143.08546	3.2
145.10118	6.0
146.88411	0.9
147.07959	0.9
147.11673	6.4
149.09596	3.0
149.13239	7.0
151.11160	9.7
153.09085	1.4
154.07866	0.9
155.08623	0.9
157.10130	2.5
157.61630	0.8
159.08054	1.2
159.11755	4.9
161.09570	1.5
161.13271	4.4
163.11156	6.6
163.14778	1.0
164.11929	0.9
165.12756	3.1
167.10721	2.0
169.10167	1.2
171.11650	2.2
173.11746	1.0
173.13197	1.7
175.14792	2.4
177.12726	4.1
179.10759	1.0
179.14284	2.9
181.12218	1.0
183.11679	1.5
185.13263	1.2
187.69417	0.9
189.11174	3.7
191.59181	0.9
193.12193	1.0
195.13739	4.0
197.13301	1.1
199.14873	1.1
227.12712	5.8
231.21178	1.4
241.19432	1.3
247.20517	1.0
247.83980	0.9
251.16263	1.1
257.18961	1.1
259.20480	3.5
259.22900	0.9
267.15884	1.6
269.17429	10.6
273.18616	0.9
275.20053	10.7
277.21594	7.9
293.21082	100.0
294.21423	3.3
295.22794	1.6
315.22836	0.9
337.02335	3.6
337.36444	0.9
349.23599	2.2
351.25330	13.8
367.24771	21.5
367.29166	0.7
369.26215	1.2
393.08374	1.7
427.47495	1.0
461.29257	1.3
525.17859	1.2
527.37329	1.3
543.36444	2.5
545.38171	1.8
561.37811	49.7
562.38110	2.3
581.24506	2.9
637.30566	5.2
643.45734	10.2
697.41632	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	696.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45795	0.0
56.05021	0.1
57.03400	0.1
67.05500	0.3
70.06558	0.1
71.04954	0.1
77.03918	0.1
78.04698	0.1
79.05054	0.0
79.05475	0.3
81.03385	0.1
81.07025	0.2
85.02885	0.1
86.09669	0.1
91.05456	1.0
93.07011	0.2
95.04951	0.1
95.08584	0.1
98.20609	0.1
103.05426	0.2
104.06201	0.2
105.07011	2.3
106.07265	0.1
107.08566	0.2
109.02799	0.1
109.10126	0.2
112.69285	0.1
115.05410	0.1
116.06232	0.1
117.06991	0.1
118.06510	0.1
119.08537	0.1
120.08078	0.5
121.10139	0.1
125.09600	0.1
130.06477	0.1
131.04922	0.1
132.08063	0.7
133.08853	6.8
134.09230	0.1
137.05949	0.1
144.08046	0.2
146.09636	0.2
147.10461	0.1
148.11182	100.0
149.11545	1.5
162.09224	0.1
164.07063	0.1
165.07869	0.3
166.08595	0.1
171.10399	0.7
172.07512	0.1
172.11211	0.2
175.07501	0.2
184.07385	0.1
187.07594	0.1
198.09088	0.1
204.10164	1.4
215.11720	0.1
216.10159	0.9
230.87207	0.1
230.89380	0.1
233.12849	0.6
261.19595	6.7
262.19955	0.2
267.15930	0.1
289.19061	8.8
290.19449	0.3
327.18167	0.1
380.19614	1.0
384.23175	0.1
408.19104	3.0
409.19412	0.1
416.78842	0.1
454.34024	0.1
549.28668	0.1
696.37457	3.5
697.38062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01870	1.1
55.05502	15.2
57.03431	6.9
57.07070	9.8
59.53526	0.5
61.02919	24.4
65.03928	1.9
66.83613	0.5
67.05495	60.7
68.69476	0.5
69.03436	4.3
69.06684	1.3
69.07058	23.7
69.83591	1.0
69.84007	3.4
70.33689	0.5
71.04983	2.3
71.08615	5.8
72.21870	0.6
73.02908	9.0
74.53866	0.5
75.04466	1.0
79.05479	17.7
81.03401	2.2
81.07044	77.2
82.07384	1.5
83.04954	2.3
83.08609	19.7
85.02894	26.3
85.06538	2.3
85.10160	2.1
91.03945	21.6
91.05470	13.0
93.07032	21.9
95.04962	1.6
95.08594	67.5
96.08924	0.9
97.02875	13.3
97.06506	6.9
97.10157	12.5
98.21397	1.3
99.04432	1.7
99.08068	3.8
101.70245	0.6
103.03936	0.7
103.05482	0.6
105.07020	11.2
107.04908	0.6
107.08582	15.1
109.02834	1.1
109.06486	0.9
109.10143	34.7
111.08068	3.6
111.11703	2.9
113.09641	2.1
115.03904	1.7
117.07029	0.7
119.08559	10.5
121.10130	21.5
123.08074	1.4
123.11693	18.7
125.09614	2.1
125.13257	1.1
127.03900	7.8
127.11153	1.2
131.08559	1.0
133.10110	14.3
135.11671	12.3
137.09575	1.5
137.13217	7.0
139.11137	1.3
141.12680	3.2
145.04941	11.3
145.10098	1.0
147.11665	9.9
149.13240	9.3
149.14395	0.7
151.11169	1.4
151.14804	7.7
153.12711	1.3
155.14334	3.3
159.11652	0.8
161.13248	14.4
163.06010	18.2
163.14813	10.0
165.12762	1.7
165.16354	9.6
167.14299	1.3
175.14789	11.0
177.12779	0.6
177.16341	2.4
179.14394	1.4
179.17914	7.3
181.15822	1.9
189.16310	4.5
193.15860	1.5
197.15358	0.8
203.17963	1.6
207.17523	1.1
217.19443	1.5
245.22610	59.9
246.23012	2.1
247.24052	1.0
263.23669	100.0
264.23907	3.2
265.25122	1.9
281.24683	2.9
337.27322	66.4
338.27667	2.5
355.28366	18.6
420.92917	0.6
445.29376	0.6
466.08716	0.6
481.31412	1.0
499.32675	7.1
696.35907	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	695.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	0.7
69.51543	1.8
69.51968	4.5
79.05470	0.5
90.48477	0.7
91.05409	0.6
94.06535	2.3
106.06542	2.3
108.08118	0.8
110.06036	1.5
122.06006	8.1
133.75232	0.7
134.06024	0.8
136.07556	12.5
140.07033	0.9
140.61409	0.7
145.02797	0.8
146.05965	3.0
146.09569	1.9
148.07538	4.4
152.07056	1.7
162.05484	1.2
163.03876	1.0
164.07034	28.0
166.08611	23.9
166.10030	1.3
168.06512	2.4
172.03917	2.6
173.04565	0.8
174.05490	2.3
176.07037	5.8
177.05397	1.6
190.04953	1.9
191.05652	1.5
192.06425	0.7
204.06491	2.8
208.09689	0.7
209.10814	1.1
210.11516	2.4
211.12318	1.8
221.10606	0.9
222.11449	1.5
223.12198	2.4
224.12973	1.6
225.10109	1.7
225.13695	1.3
227.11694	0.9
235.08656	1.7
235.12276	2.6
236.09215	1.5
236.12973	1.3
237.10161	7.1
237.13737	3.0
237.35529	0.6
238.10902	4.1
238.14474	0.9
239.11743	9.9
240.12267	0.7
243.11301	0.9
246.07634	1.0
247.12273	1.2
248.09323	3.8
249.10211	5.9
250.10970	5.5
251.11751	14.3
252.12434	2.9
253.13350	3.7
254.70198	0.7
255.11052	0.7
261.10025	0.8
262.11099	1.1
263.11771	25.3
264.08856	1.2
264.12488	5.2
265.09732	9.4
265.13327	42.8
266.10471	1.4
266.13849	4.0
267.11240	3.6
267.14557	1.0
268.12048	1.2
269.12769	2.6
271.14359	2.1
275.11667	0.9
276.08636	1.0
277.09686	5.1
278.10452	2.5
279.11234	49.0
280.11923	5.1
281.09406	0.7
281.12698	2.9
282.13535	2.0
283.10764	1.1
283.14328	2.3
284.11386	1.1
285.12131	0.8
287.13892	2.3
289.11777	1.3
291.11206	10.2
292.11859	3.2
293.12759	9.8
294.13412	2.7
295.10785	7.6
295.14047	1.2
296.11554	2.3
297.12283	27.6
298.12866	3.6
299.13739	0.7
303.13287	0.8
305.14923	1.8
309.12280	62.1
310.13040	29.6
310.16757	0.8
311.13824	29.3
312.14526	5.2
313.11884	1.3
313.15363	2.6
315.13483	1.7
319.10712	8.4
320.11313	0.7
321.12418	3.7
323.10529	1.2
323.16351	2.8
324.10861	1.0
325.11652	1.7
330.15820	0.8
337.11771	100.0
338.12494	38.6
338.16718	0.8
339.13315	22.9
340.13815	1.8
341.11380	2.4
357.14554	1.3
358.15317	1.1
359.12198	0.8
369.14410	38.7
370.15057	8.3
371.15952	17.7
372.16534	1.0
373.14032	0.9
374.14749	1.3
388.16928	0.7
399.15976	1.8
400.16479	2.5
401.13333	3.5
416.15869	1.6
417.16714	0.9
418.17609	1.0
432.19107	0.9
434.17020	2.1
458.16974	3.2
459.17743	1.3
476.18231	3.2
477.18948	1.0
478.19666	2.9
480.21243	45.0
481.21576	2.4
494.19092	4.4
495.19925	1.9
506.19171	56.3
507.19449	3.9
508.20490	1.4
524.20190	11.8
526.21906	1.5
538.21759	70.1
539.21967	5.8
603.24591	3.0
627.24146	6.2
635.27026	1.0
645.25488	6.5
659.27087	1.0
663.26489	21.7
664.26648	1.7
677.28217	1.3
688.31641	0.6
695.28845	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	695.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01852	0.8
55.05495	1.3
57.03427	1.1
58.40932	0.5
59.50248	0.6
61.02909	0.8
67.05488	1.0
69.03416	3.2
69.07053	1.8
70.06567	2.0
71.04987	2.8
71.05316	0.6
71.79380	1.1
79.05471	1.8
81.03401	3.6
81.07027	2.2
83.04952	1.5
84.08118	0.7
85.02898	8.7
85.06539	0.9
86.09682	1.1
89.03901	0.9
91.05453	3.0
93.07011	2.3
94.06554	2.6
95.04950	1.5
95.08572	2.4
97.02863	2.7
97.06499	1.3
99.04448	1.7
103.03919	1.2
103.05450	1.2
104.66011	0.6
105.07021	3.2
106.06536	1.3
107.04938	1.2
107.08544	1.3
108.08105	1.3
109.02834	3.3
109.06526	0.8
109.10134	1.5
110.06024	1.6
111.04400	1.2
114.09164	1.4
117.03371	1.0
119.04921	2.0
119.08585	1.4
120.08065	1.1
121.06496	1.0
121.10123	1.7
122.06007	8.1
124.07611	1.0
125.05967	0.8
125.09612	0.6
127.03916	6.0
129.05441	1.2
129.07001	0.9
130.08609	2.5
131.04889	1.3
131.08562	1.0
132.08115	0.7
133.02794	1.2
133.06442	1.1
133.10078	1.9
134.06012	1.1
135.04399	1.5
135.07988	0.7
135.11711	0.9
136.07549	13.8
137.05966	4.9
138.05455	1.1
140.07018	2.4
144.04448	0.7
145.02837	4.0
145.04964	1.8
145.06422	0.8
145.10080	1.2
146.05989	2.8
146.09605	1.5
147.04387	2.3
147.11687	0.8
148.07550	5.3
148.11180	3.4
149.05907	1.7
149.13239	0.7
150.09125	0.9
151.03857	1.4
151.07487	1.2
152.07039	1.8
152.60995	0.6
154.05022	0.7
155.62822	0.8
159.08034	1.0
159.11647	0.8
160.07535	0.7
161.05920	1.2
162.05444	1.6
163.03880	4.1
163.06010	1.3
163.07484	1.1
163.11197	0.8
164.07040	27.0
165.07408	0.8
166.08618	24.6
167.07036	2.6
168.06508	1.7
172.03922	2.6
173.04608	0.9
174.05466	2.6
175.03880	1.8
175.07494	1.6
175.14819	1.5
176.07030	5.4
177.05452	7.2
177.12523	0.7
187.07516	1.0
190.04945	2.3
191.05707	1.3
192.10178	0.7
195.17355	0.9
203.07043	0.8
204.06544	3.5
205.08727	0.8
206.07957	0.8
207.06480	2.5
209.10779	0.6
210.11469	1.8
211.12222	1.6
217.08565	0.9
218.08092	1.7
220.10013	0.6
221.10582	1.0
222.11436	1.0
223.12250	2.1
224.09367	1.1
224.12924	1.2
225.10141	1.1
227.11539	0.8
233.11707	0.7
235.08711	1.7
235.12242	2.5
236.09189	0.6
236.13066	0.9
237.10184	6.7
237.13744	3.6
238.10902	4.4
239.11702	9.3
240.12291	0.7
243.11214	2.2
247.12311	0.9
248.09499	3.1
249.10173	6.6
250.10934	5.7
251.11761	13.2
252.12427	1.7
253.13322	3.5
255.11275	1.4
262.10907	0.8
263.11755	20.1
264.08868	1.0
264.12421	4.1
265.09787	6.6
265.13321	37.6
266.10394	0.8
266.13953	3.0
267.11169	3.3
267.14941	0.7
268.11938	1.2
269.12741	3.2
270.13486	1.0
271.11234	0.6
271.14423	1.5
275.11725	1.0
277.09656	4.7
277.13022	1.1
277.16696	0.8
278.10388	2.5
279.11249	50.9
280.11801	4.2
281.12759	1.6
282.13556	1.4
283.10687	1.2
283.14404	1.9
284.11267	0.8
285.12326	1.4
287.10660	0.6
287.13815	2.5
289.11804	0.9
291.11212	9.0
292.11966	2.6
293.12833	8.7
294.10278	0.9
294.13617	2.3
295.10806	9.0
295.14120	1.3
296.11420	2.7
297.12296	24.6
298.13010	4.6
299.13809	1.3
301.11588	0.8
303.13519	3.3
305.14825	2.1
309.12283	57.1
310.13031	26.0
311.10440	1.3
311.13806	28.8
312.14551	5.5
313.11795	2.4
313.15399	2.2
315.13327	2.1
319.10687	7.3
320.11322	1.2
321.12527	3.1
323.09549	1.0
323.16071	2.3
324.11032	2.1
325.11060	2.6
337.11765	100.0
338.12476	33.6
338.16779	0.8
339.13336	22.7
340.13864	2.5
341.11179	2.4
342.11807	1.0
343.12881	1.2
352.14117	0.7
357.14163	0.8
358.15479	0.9
359.12241	1.2
369.14420	27.4
370.15012	6.0
371.11566	1.1
371.15945	15.5
372.16693	1.2
373.13873	1.1
374.14868	0.9
375.15775	0.9
384.13538	0.8
390.18274	1.2
398.14832	0.9
399.15521	1.8
400.16309	2.2
401.13394	3.9
416.15707	1.3
417.29849	0.9
418.17020	1.1
434.17096	1.9
452.21811	2.9
458.17062	3.2
459.18195	0.8
476.18170	3.5
478.19781	5.9
480.21249	38.5
481.21576	2.5
494.19159	7.3
495.19550	2.1
496.20471	1.0
506.19196	44.9
507.19687	3.9
508.20715	1.2
510.21973	1.8
524.20209	16.3
525.20325	1.1
526.21826	1.0
538.21771	57.5
539.22272	5.0
603.24036	2.2
613.22656	1.7
619.27289	1.1
627.24194	3.9
645.25153	9.8
646.25702	0.9
663.26489	21.9
664.26190	2.6
677.27576	1.3
695.28949	5.1
696.30231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01873	0.2
55.05508	0.5
55.09482	0.1
57.03421	0.5
63.02377	0.4
65.03926	0.2
67.05486	0.8
69.03423	1.2
69.07056	2.5
71.04985	0.6
71.79826	0.2
77.03933	0.2
79.05476	1.5
81.03404	3.6
81.07050	1.6
82.03719	0.1
83.04952	0.4
83.08614	0.8
85.02887	1.4
85.06521	0.2
89.03345	0.3
89.03897	4.2
89.04428	0.3
90.96014	0.1
91.05467	1.4
91.08337	0.2
93.07029	1.5
94.07354	0.2
95.04955	1.2
95.08588	1.2
97.02871	0.6
97.06507	1.2
97.10201	0.1
99.04446	0.5
105.07016	1.3
107.04947	1.5
107.08586	1.6
109.02877	1.4
109.06491	1.0
109.10146	0.7
111.08051	0.2
117.03368	4.9
117.07014	0.3
119.04915	0.2
119.08567	1.4
121.06492	1.1
121.10120	0.9
122.07276	1.6
123.08052	6.9
123.11687	0.2
125.09624	0.3
127.03890	0.6
129.06961	0.2
131.08578	0.8
133.10110	2.1
134.10336	0.1
135.04399	12.8
135.08032	8.3
135.11658	1.3
136.04704	0.3
136.08395	0.3
137.05959	0.3
137.09573	0.5
143.08568	0.2
145.02832	9.8
145.10083	0.4
146.03159	0.2
147.04398	0.3
147.08073	0.2
147.11615	0.6
148.08824	0.3
149.09608	0.9
149.13246	0.3
151.11125	0.2
161.09654	0.3
163.03882	100.0
163.14862	0.2
164.04193	2.4
165.12729	1.8
173.13226	0.4
175.03886	0.3
175.11180	0.2
175.14818	1.2
176.10628	0.2
176.11958	1.6
177.05443	0.3
181.04942	2.2
184.07303	0.5
186.05460	0.5
191.14282	34.8
192.14609	1.2
193.15851	3.8
194.12527	0.2
207.06535	0.8
207.13744	0.7
209.15323	0.9
235.30885	0.1
240.42148	0.1
268.16483	0.2
307.08090	3.1
325.09122	6.3
326.09576	0.2
335.18353	0.3
353.19556	0.3
371.20703	1.7
387.09500	0.2
454.28821	0.2
462.29178	0.4
480.29944	0.3
492.37677	0.2
496.77518	0.1
512.15295	0.1
522.69702	0.1
533.23370	0.5
659.26477	0.2
677.27777	0.2
693.81458	0.2
695.28912	3.9
695.40161	0.2
696.29767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03934	4.0
55.01865	8.2
55.05504	32.7
56.05840	1.1
56.72836	0.8
57.03428	8.9
57.07050	3.5
59.04993	1.1
60.23304	0.9
65.03923	3.5
67.05495	58.8
68.05817	1.0
69.03417	9.5
69.07059	40.8
70.07381	1.0
71.01135	0.8
71.01490	2.3
71.04977	5.1
71.08616	13.7
79.05482	43.5
80.05807	1.7
81.03407	9.0
81.07044	55.9
82.07359	1.6
83.04974	11.8
83.08157	1.3
83.08608	16.3
84.08125	1.4
85.02882	1.8
85.06523	3.7
87.04449	0.8
91.05466	37.3
93.07027	46.4
94.07362	1.2
95.04956	14.7
95.08592	25.9
97.02867	8.9
97.05912	1.6
97.06505	12.1
97.10150	16.9
99.04423	0.9
99.08072	11.7
103.05447	1.9
103.48961	1.0
105.03341	1.3
105.07016	27.4
107.04933	9.1
107.08575	29.9
108.08943	1.1
109.02906	0.8
109.06519	7.7
109.10138	15.4
111.04403	1.0
111.08068	4.7
112.57411	0.8
113.05946	1.3
113.09593	1.9
115.05464	1.6
117.06997	14.1
119.04912	1.3
119.08567	24.9
121.06461	5.3
121.10125	13.8
123.08052	5.7
123.11702	3.9
125.09609	13.0
127.07473	0.9
128.06181	1.4
129.06964	5.4
130.07748	1.5
130.08611	2.7
131.08557	14.9
133.06467	3.5
133.10117	14.6
134.07224	1.1
134.10522	1.1
135.08026	6.4
135.11652	8.2
137.09518	3.9
139.07533	1.1
139.11176	1.0
142.07750	0.9
143.08560	5.8
143.10587	0.8
145.10100	11.3
147.08015	6.0
147.11656	7.3
149.09634	4.2
149.13217	8.3
151.11136	14.4
153.09076	1.4
153.12671	1.3
155.08513	1.5
156.09438	1.0
157.10088	5.1
159.08083	1.4
159.11674	10.0
161.09587	3.5
161.13242	6.5
163.11156	8.8
163.14775	1.1
165.09157	1.8
165.12689	1.8
169.10088	1.8
169.12192	1.3
171.07941	0.9
171.10275	0.8
171.11665	3.7
173.09549	0.9
173.11728	2.0
173.13193	1.9
175.11172	2.8
175.14754	2.1
177.12735	5.0
179.10634	1.0
179.14265	4.1
183.11638	2.0
185.13237	3.4
187.11226	0.9
187.14851	0.9
189.11205	6.5
189.12679	1.3
193.12187	1.3
195.13747	4.0
197.13168	1.0
199.11195	1.1
199.14803	2.0
205.12178	2.1
207.13838	1.0
223.13252	19.1
227.12723	14.8
231.17264	1.0
233.15381	1.6
235.16849	0.9
239.17952	1.0
241.19501	2.6
245.13789	4.0
245.18909	1.3
249.14803	3.1
251.16388	1.7
253.14349	1.9
257.19046	2.1
259.20554	2.8
263.20016	1.0
267.15808	1.3
269.17395	15.3
273.18488	12.7
275.20010	7.5
277.21631	10.3
278.21985	1.1
291.19504	100.0
292.19962	4.0
293.21082	20.6
294.39850	0.9
309.20648	0.9
313.27267	1.4
333.24292	1.1
347.22018	2.5
349.23685	3.6
351.25247	17.3
365.23157	26.7
366.23441	1.3
367.24625	4.8
383.84000	0.9
423.71530	1.1
461.28448	1.2
463.30408	1.0
483.36740	1.9
541.35065	1.6
543.36322	1.8
545.34485	1.2
559.36206	65.4
560.36700	4.4
561.37256	3.5
641.43982	15.0
642.44501	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	694.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01864	8.5
55.05503	33.5
56.34369	1.2
57.03426	11.9
57.07068	4.0
65.03923	3.7
67.05495	90.3
68.05843	2.0
69.03419	7.0
69.07058	43.7
71.01332	2.3
71.04978	6.3
71.80683	1.9
79.05482	68.6
80.05799	1.7
81.03413	7.9
81.07044	100.0
82.07387	2.0
83.04967	18.2
83.08604	21.7
85.02888	2.6
85.06517	5.1
86.09712	2.3
91.05464	61.4
93.07030	72.5
94.07334	1.5
95.04955	16.6
95.08592	47.3
96.08935	1.4
97.06518	20.4
97.10163	17.8
99.08090	4.3
101.65312	1.3
103.05429	1.5
105.04496	2.3
105.07014	56.0
106.07337	1.5
107.04963	10.6
107.08575	50.3
109.06525	8.7
109.10143	19.1
111.08079	8.0
113.09616	1.7
115.05438	3.6
116.06218	1.3
117.06988	20.5
117.07658	1.7
119.08560	36.9
119.09399	2.3
121.06502	7.4
121.10126	22.3
123.08076	6.8
123.11671	8.2
125.09599	10.4
126.78690	1.2
128.06215	2.8
129.06982	9.1
131.08551	31.5
133.06441	2.3
133.10106	31.0
135.08095	8.4
135.11661	21.5
137.09612	6.6
139.11192	1.2
141.06978	4.3
142.07799	1.6
143.08559	10.2
145.06514	1.5
145.10104	25.6
147.08095	2.7
147.11665	20.1
148.12068	1.2
149.09602	18.4
149.13248	14.6
151.11186	4.5
155.08542	5.1
157.10149	8.7
158.10538	1.4
159.11696	20.1
161.09612	3.5
161.13219	8.4
163.11162	14.1
163.14752	1.7
165.12709	2.4
169.10023	6.2
171.11618	9.0
173.13240	8.1
175.11188	2.5
175.14836	1.8
177.12708	7.3
179.14307	4.4
181.10089	2.5
181.12178	1.8
183.11682	4.8
184.07358	8.1
185.13254	3.7
187.11176	3.1
187.14891	1.7
189.11197	5.7
189.12685	1.8
189.16243	1.6
195.11823	3.5
195.13792	8.9
197.13257	3.6
199.14763	2.3
201.12639	1.6
211.14714	2.4
213.14670	1.5
221.87656	1.3
227.12732	20.7
229.19417	3.1
239.17949	5.7
247.20621	3.8
251.16354	2.3
253.18019	2.0
255.15829	14.4
257.19034	12.8
267.15909	3.2
267.69452	1.4
269.17438	27.4
270.17847	1.7
275.20013	50.3
276.20239	2.1
291.19547	2.5
293.21152	3.8
331.22641	3.2
349.23676	37.6
350.23663	3.0
365.23132	2.7
367.24652	6.1
370.31451	1.4
418.76447	1.3
423.28006	1.9
431.27881	2.7
433.31079	1.7
435.27582	3.2
445.29449	2.0
447.31274	1.3
449.28824	13.1
451.32144	2.4
463.30551	16.2
464.31543	1.4
469.32834	2.5
519.32581	1.5
525.35596	3.7
529.35168	8.9
543.36725	25.4
544.37207	1.6
561.37439	5.1
623.42761	4.1
641.43365	3.6
696.80261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01862	7.7
55.05265	1.0
55.05502	9.2
57.03185	1.1
57.03425	11.6
57.07052	3.6
59.04995	2.0
61.02907	1.1
65.27432	1.0
67.05491	16.6
69.03398	1.9
69.07056	14.3
71.01330	3.6
71.04973	5.4
71.08610	0.9
73.02900	3.3
78.25270	0.9
79.05478	13.5
81.03388	2.1
81.07040	30.4
83.01318	4.4
83.04956	1.9
83.08592	7.9
85.02892	3.9
85.06509	1.4
87.00819	1.5
87.04452	7.4
89.02365	4.3
91.05456	14.5
93.07025	25.7
95.01263	1.1
95.04945	3.1
95.08588	38.8
97.06503	4.5
97.10136	3.3
99.04416	1.6
99.08056	2.8
101.02366	13.0
103.03895	1.8
105.06316	1.8
105.07009	33.3
107.04951	1.0
107.08576	42.3
109.06524	2.5
109.10139	30.1
111.00822	1.7
111.04414	1.2
111.08004	2.3
115.03906	22.5
117.06988	6.6
119.03401	1.9
119.08564	43.5
120.08852	1.4
121.06468	1.2
121.10127	47.4
123.04403	1.1
123.08043	1.4
123.11689	19.8
125.09567	2.1
129.01805	8.6
129.07034	2.1
131.08533	19.9
133.04906	1.2
133.10106	47.9
135.08054	2.4
135.11670	26.8
137.09583	2.5
137.13222	3.3
139.07468	1.0
143.03355	10.1
143.08542	6.6
145.10098	30.8
145.11211	2.1
147.04419	1.5
147.11652	24.1
149.09586	4.1
149.13239	16.8
151.11153	19.8
151.14874	1.4
153.09126	1.5
156.09229	1.0
157.01308	20.8
157.10107	10.8
158.10876	1.9
159.02808	1.9
159.11665	30.0
161.04362	2.8
161.09679	1.1
161.13216	13.4
163.11148	3.0
163.14803	12.3
165.09070	1.8
165.16338	2.0
169.10097	1.2
170.10757	1.6
171.02814	2.7
171.11650	9.2
172.12442	1.0
173.13226	24.3
175.02319	1.9
175.14798	56.7
177.12825	1.2
177.16359	32.7
179.14290	1.3
181.10106	1.3
182.53221	1.1
183.11659	3.4
184.12538	1.5
185.13242	10.7
187.14789	42.7
189.03900	45.8
189.16341	24.3
191.14291	3.2
191.17801	5.0
193.15871	6.7
195.11719	1.1
197.13197	4.3
199.14806	12.6
201.16356	41.1
203.14268	1.3
203.17928	21.8
205.12193	1.7
205.15833	9.7
205.19414	1.8
207.04976	17.6
211.14761	2.8
213.16345	18.4
214.17094	4.0
215.14558	1.6
215.17912	30.6
217.03372	11.0
217.15834	2.3
217.19481	1.8
219.13699	3.6
219.17450	4.7
221.15315	3.1
221.18941	1.4
223.14856	2.0
223.16911	7.2
225.05975	1.4
225.16354	3.4
227.17894	6.3
229.19435	4.4
231.17371	7.1
233.15306	3.2
233.18991	2.3
235.16924	2.7
239.17770	1.5
241.19418	5.0
243.20966	2.1
247.16904	2.4
249.18379	4.5
253.14384	4.8
253.19406	1.7
255.20963	3.7
257.22574	1.8
259.16965	4.7
261.18381	4.2
263.17896	1.4
267.15823	2.9
267.20990	3.0
269.17386	2.2
269.22534	1.3
281.22507	2.4
291.21078	1.1
293.22766	1.1
297.18567	1.0
303.23264	1.4
305.22717	1.2
307.24118	1.2
309.25687	2.2
311.27240	1.4
319.24240	2.0
327.23288	1.8
341.24695	1.2
347.27206	1.6
351.22726	1.2
353.24234	1.2
355.26227	4.5
365.24445	1.4
379.33386	3.1
383.29221	2.1
389.31937	15.2
391.33655	1.1
407.33029	71.6
408.33316	1.8
409.30328	7.8
416.74918	1.0
417.31555	1.5
425.34100	22.1
435.32535	100.0
436.32947	3.0
453.33578	73.4
454.33743	1.9
461.29269	1.2
465.28336	4.6
471.28329	1.7
471.34619	20.6
479.29779	2.1
497.29791	2.0
561.24176	1.1
613.37048	2.9
623.35333	3.0
641.36908	6.7
659.37390	3.5
677.38837	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	694.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05260	1.1
55.05503	11.8
57.03421	2.6
57.07065	1.4
65.03925	1.9
67.05493	20.4
69.03407	2.8
69.07057	13.0
69.52708	9.2
71.04974	1.4
79.05475	18.8
81.03400	2.3
81.07036	22.5
83.04959	3.1
83.08601	9.4
91.05454	21.9
93.07027	26.9
94.07339	0.9
95.04955	5.4
95.08593	20.4
97.06520	7.3
97.10159	4.9
103.01196	0.9
103.05457	1.4
105.03358	1.2
105.07013	33.7
107.04915	2.2
107.08572	35.6
109.06498	4.0
109.10133	16.2
110.34940	0.9
111.08067	1.4
112.01893	0.7
115.05441	1.5
117.06996	11.6
119.07717	2.2
119.08558	40.1
121.06492	3.5
121.09246	1.8
121.10123	35.3
123.08056	3.6
123.11649	4.6
125.09609	3.8
128.06227	3.2
129.06984	9.3
130.07846	1.4
131.08546	24.7
133.06459	10.1
133.10104	28.7
135.08051	5.3
135.11655	15.3
137.09605	4.2
141.06906	4.3
142.07748	2.7
143.08531	17.5
144.09296	2.0
145.10101	24.2
147.08029	19.1
147.11655	22.6
149.09616	11.1
149.13243	8.6
151.11143	1.6
153.09109	1.3
155.08499	10.0
156.09317	5.1
157.10104	21.8
158.10851	2.6
159.08069	3.1
159.11667	29.6
161.09613	4.8
161.13223	13.7
163.07616	1.6
163.11148	5.4
163.14789	2.6
165.07016	2.0
165.09079	2.7
165.12730	1.9
166.07787	1.6
167.08578	3.3
167.10660	2.5
168.09335	1.7
169.10095	18.6
170.10905	8.5
171.07968	1.0
171.11661	31.0
171.95717	1.0
173.09543	4.8
173.13225	29.9
175.11195	5.3
175.14801	8.8
177.09148	1.3
177.12744	4.2
179.08430	1.6
179.10706	3.0
179.14288	1.5
180.09227	1.1
181.10107	10.0
181.12247	2.3
182.10876	2.5
183.08005	1.1
183.11652	22.3
184.12350	2.7
185.09769	2.4
185.13220	52.9
186.10327	1.2
186.13736	1.5
187.11198	6.4
187.14771	13.5
189.11195	1.7
189.12758	6.7
189.16335	2.7
191.10628	2.2
191.14240	5.1
193.10123	3.6
193.12196	2.3
194.10825	2.1
195.11664	11.5
196.12465	4.0
197.09581	2.2
197.13206	13.8
199.11189	3.3
199.14787	16.9
201.12692	6.5
201.16393	5.6
203.14305	2.3
205.10277	1.4
205.12221	3.6
207.11668	6.1
207.13626	2.2
208.12436	2.2
209.09784	1.6
209.13245	10.3
210.13872	1.5
211.11183	3.5
211.14783	18.3
213.12833	5.4
213.16341	10.7
215.10603	1.0
215.14322	4.2
215.17915	2.5
215.99864	1.0
217.10132	1.0
217.12244	1.5
217.15833	9.3
218.10771	0.9
219.11629	3.3
219.13768	5.3
219.17528	1.2
220.12421	2.2
221.13333	5.7
222.14001	2.5
223.11276	1.6
223.14790	10.5
224.15576	1.5
225.12683	1.5
225.16298	9.5
227.12729	3.8
227.14574	2.0
227.17915	5.2
229.12178	1.2
229.15884	3.9
229.19409	1.4
231.11734	1.4
231.13898	1.7
232.12437	1.1
233.13170	3.5
233.15396	2.3
234.14015	1.3
235.14801	7.8
236.15535	1.5
237.12741	1.6
237.16354	11.8
239.14268	2.2
239.17892	18.6
241.15878	2.2
241.19507	2.5
243.13748	6.4
243.17480	3.7
245.13164	2.4
245.15382	6.1
247.14824	3.2
249.16328	6.8
251.14255	1.6
251.18082	6.2
253.15872	2.0
253.19548	5.2
255.17641	1.0
255.21071	3.5
257.15433	1.7
257.19003	2.5
259.14777	3.1
260.15280	1.2
261.16354	3.5
263.13931	1.1
263.16183	1.9
263.18188	1.8
265.15887	1.9
265.19467	7.1
267.17471	3.6
267.20596	0.9
269.17444	1.2
271.16971	4.1
272.15546	1.5
273.16272	2.7
273.18634	2.3
275.17526	2.2
275.18286	1.5
275.20337	5.9
277.19443	3.2
279.17453	0.9
279.21045	1.9
281.19028	2.0
283.17090	2.2
283.20413	2.1
285.18741	5.8
286.17300	1.5
287.17770	3.0
289.18393	1.7
291.17181	1.6
293.19098	1.4
295.16904	2.7
297.18573	4.6
299.20074	1.3
301.19443	2.8
303.20920	2.6
305.19022	1.9
305.22510	1.5
309.18549	2.7
311.19983	3.8
313.18155	1.6
315.20871	2.9
319.20328	1.7
323.20135	1.0
327.19650	2.5
328.21826	1.6
329.22137	2.8
333.22162	1.4
335.20102	1.4
339.21024	1.0
343.20505	1.4
343.24396	1.2
347.20001	2.0
349.23856	4.8
359.27478	1.3
361.21509	1.8
361.28860	3.0
371.22995	1.7
371.27264	17.5
373.28922	1.5
375.22998	1.7
377.41455	1.1
381.25623	2.7
387.26740	1.2
389.23798	1.4
389.28363	20.6
399.26730	15.4
401.28424	1.2
405.27963	1.6
407.29413	9.8
417.27826	44.4
418.28406	2.5
419.29327	1.9
421.31000	1.7
427.26263	3.7
431.29361	13.5
435.28931	55.7
436.29248	2.1
445.27289	26.6
446.27707	1.5
449.30286	8.2
453.30020	1.8
459.28745	2.5
463.28366	84.8
464.28641	3.4
465.30060	1.8
467.31393	2.6
477.22849	1.8
477.29895	37.8
478.30099	2.5
481.29358	4.9
491.31415	6.0
495.30969	100.0
496.31564	4.6
505.29514	2.2
509.32315	5.5
519.31213	1.4
523.30457	14.6
537.32196	12.0
543.36572	2.6
555.33081	40.4
556.33380	1.4
623.42938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40748	0.8
53.03935	2.6
55.01859	7.4
55.05501	30.9
57.03421	18.5
57.07061	2.4
59.04981	3.2
61.02914	6.6
65.03929	3.4
67.05493	100.0
68.05816	1.3
68.94431	0.8
69.03397	3.6
69.07060	16.5
70.92171	2.7
71.01335	1.4
71.04984	9.3
71.56642	0.8
73.02902	5.3
79.05009	1.7
79.05479	40.9
81.03411	13.8
81.07041	80.3
82.07362	0.9
83.04967	12.8
83.08604	20.5
85.02889	17.0
85.06529	4.6
87.04429	3.7
91.03922	3.1
91.04904	1.7
91.05466	29.1
93.07027	47.4
95.04945	8.4
95.08594	22.2
97.02873	6.1
97.06512	10.8
97.10146	13.5
99.04441	1.6
99.08061	2.2
103.03947	1.5
105.04497	1.4
105.07011	11.9
107.04956	4.8
107.08576	32.0
109.06513	4.5
109.10139	48.5
109.87454	0.8
110.10463	0.9
111.04424	1.7
111.08063	6.9
113.05972	1.6
116.04713	1.3
117.07009	9.9
119.08561	9.8
121.06447	4.0
121.10113	13.7
123.08012	3.7
123.11649	4.6
125.09605	12.9
127.03879	2.1
129.05466	4.6
129.06970	2.0
131.08556	9.9
133.10092	14.8
135.08046	2.7
135.11681	11.0
137.09584	3.2
139.11116	0.9
141.09082	0.9
143.07034	0.9
143.10695	1.5
145.10106	4.8
147.08066	1.4
147.11639	4.2
149.09599	1.4
149.13235	15.7
151.11183	3.4
153.12721	3.0
155.10641	2.6
157.10121	1.1
159.11661	9.8
163.11162	10.5
165.12712	3.0
165.97260	0.8
167.14299	1.0
173.02989	0.8
173.09605	1.7
173.11702	15.5
175.11212	1.1
175.36130	0.9
177.12793	4.5
181.12115	1.8
185.11656	0.9
189.11234	1.5
191.10664	2.7
193.12140	4.0
195.13774	17.3
199.13239	5.5
209.11673	7.2
211.13249	2.4
213.14850	2.9
227.12735	9.3
229.14317	53.7
239.16443	3.1
257.13846	1.9
265.14221	1.3
267.15817	7.2
269.17438	67.9
270.17896	1.8
283.15433	4.6
285.17023	1.0
301.16464	18.0
301.19846	2.1
357.24042	1.0
393.26227	3.3
411.27380	6.1
423.27344	38.1
424.28055	1.1
431.27502	1.2
437.28909	7.1
449.28790	1.0
451.30441	1.0
463.30463	14.8
477.28281	2.8
485.70724	0.8
495.29102	43.9
496.29800	2.4
513.30530	19.8
514.30573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01869	9.7
55.05502	29.7
57.03428	8.0
57.07059	2.6
59.04997	1.1
61.02914	3.1
65.03923	2.3
67.05492	58.6
68.05819	2.1
69.03416	13.5
69.07057	42.9
70.07395	1.0
70.15588	4.1
71.01343	1.0
71.04977	3.3
73.02894	1.6
75.20013	1.0
77.03902	0.9
79.05479	45.8
80.05818	1.2
81.03411	9.7
81.07043	54.7
82.07372	1.8
83.04969	11.4
83.08600	14.6
84.04480	3.3
85.02894	6.9
85.06533	2.9
86.09681	2.0
91.03947	1.6
91.05466	36.1
92.05787	1.6
93.07028	45.6
95.04953	15.6
95.08586	26.6
96.08942	1.4
97.02872	10.2
97.06519	12.1
97.10158	12.3
98.21376	1.2
99.04487	1.5
99.08079	2.1
103.03939	1.1
105.07017	28.2
106.07322	1.2
107.04930	9.4
107.08575	28.2
109.02846	1.1
109.06484	8.2
109.10141	22.2
109.10863	1.6
110.10459	1.5
111.04429	1.7
111.08069	3.5
115.05419	1.3
117.07001	16.3
118.23135	0.9
119.08566	23.1
121.06491	5.7
121.10138	14.7
123.04429	1.1
123.08072	5.7
123.11668	3.2
125.09605	10.6
127.03917	1.0
128.06219	1.4
129.05475	1.1
129.06981	6.3
130.07751	1.2
131.07564	0.7
131.08531	18.2
133.06448	2.9
133.10106	20.0
135.08051	5.2
135.11681	11.1
137.09596	3.5
139.11185	1.7
141.06950	2.6
143.08493	5.4
145.06506	1.9
145.10095	14.0
147.08041	6.1
147.11671	9.6
147.90005	0.9
149.09583	9.0
149.13234	8.5
151.07468	1.1
151.11176	3.1
155.08571	2.4
157.10139	4.2
159.08060	1.4
159.11655	10.7
161.09637	3.9
161.13243	3.5
163.11179	7.0
165.09113	1.7
165.12657	1.6
169.10132	2.0
169.12260	1.4
171.11678	3.6
173.09598	1.1
173.11742	2.3
173.13274	3.5
175.11168	2.8
176.05151	1.2
177.12752	4.8
179.14320	2.7
181.12228	2.2
183.11577	1.7
184.07310	4.1
185.13258	2.7
189.11206	5.7
189.12758	1.8
193.12190	2.1
195.13835	3.5
197.13266	1.4
199.14909	1.1
205.12286	2.1
211.13084	1.4
213.14729	2.2
223.13260	17.5
227.12732	5.7
229.14412	2.8
229.19472	1.6
233.15530	1.1
235.16862	1.3
237.16516	1.8
239.18065	1.2
243.08388	1.5
245.18771	1.6
247.20657	2.1
249.14754	2.5
253.14375	4.3
255.15771	7.3
257.19037	5.0
259.20557	1.2
267.15897	2.0
269.17407	13.4
270.17935	1.0
273.18457	16.2
275.20041	16.3
291.19498	100.0
292.19785	3.3
293.21060	2.4
331.22470	1.5
349.23627	15.5
353.87518	1.1
365.23193	31.4
367.24841	1.5
413.17798	2.1
414.17917	3.0
461.28818	1.6
466.48019	1.4
520.29681	2.3
521.38531	1.4
530.39050	2.6
541.35254	1.8
545.34607	13.6
559.36176	49.6
560.36639	4.4
639.42499	11.1
657.42633	1.2
692.40527	64.0
693.40930	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	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.05505	34.6
57.03149	1.7
57.03422	22.9
57.07054	2.0
59.04998	5.0
59.10806	0.8
61.02925	9.1
65.03921	2.8
67.05495	100.0
68.05816	1.8
69.03416	4.8
69.07059	17.3
71.01334	2.0
71.04987	6.5
73.02907	7.4
79.05009	1.7
79.05482	40.6
81.03404	14.8
81.07043	78.4
83.04971	10.7
83.08604	24.3
85.02894	22.3
85.06519	5.1
87.04461	5.0
91.03928	4.2
91.05466	26.5
91.88020	0.8
93.07030	46.8
94.07336	1.3
94.70689	0.9
95.04963	9.3
95.08597	23.4
97.02886	6.5
97.06525	11.6
97.10155	18.2
97.67943	0.9
99.04430	1.4
99.08080	2.3
103.03914	2.2
105.07012	10.5
107.04950	5.1
107.08578	31.9
109.06490	3.7
109.10141	57.3
111.04428	2.7
111.08065	8.7
113.05995	1.5
115.84434	0.9
116.04654	1.7
117.07002	9.7
119.08572	12.9
121.06471	3.0
121.10110	13.3
123.08027	3.0
123.11663	3.2
125.06023	0.9
125.09599	12.8
127.03865	1.4
127.11092	1.2
129.05482	6.1
129.06946	1.9
131.08549	9.6
133.10114	15.3
135.08026	2.6
135.11662	11.4
137.09589	4.0
143.06978	1.1
143.10660	3.2
145.10115	6.2
147.08073	1.6
147.11694	6.0
149.09654	1.0
149.13257	13.3
151.11185	2.8
153.12715	2.7
155.10617	5.0
157.10114	2.0
159.11658	8.6
163.11150	8.7
165.12675	3.4
171.10152	0.9
173.09547	1.4
173.11717	16.7
174.12079	0.9
175.11206	2.1
177.12712	5.4
181.10526	0.8
181.12196	3.6
185.11607	1.3
191.10603	2.2
193.12239	4.5
195.13759	14.4
199.13257	7.4
209.11720	8.4
211.13223	4.2
213.14816	2.2
227.12744	10.1
228.13109	1.2
229.14307	56.0
229.52722	1.0
230.14674	3.0
233.26453	1.0
239.16476	4.5
249.14859	1.0
257.13763	1.4
267.15869	11.9
269.17441	61.5
270.17804	3.0
283.15326	6.8
285.16806	1.1
297.16937	2.0
301.16400	19.8
313.16309	1.5
323.18448	1.7
346.27298	0.9
357.24359	1.8
391.38705	0.9
393.26221	3.0
411.27310	6.1
412.27371	1.1
423.27368	40.2
424.27615	2.6
431.27808	3.0
449.28958	1.7
477.28339	3.7
495.29471	76.0
496.29871	9.1
513.30542	30.7
514.30890	2.8
525.30011	1.0
554.51917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05502	37.0
57.03144	1.0
57.03415	20.3
57.07066	3.0
59.04992	4.3
61.02918	9.6
65.03928	2.2
65.54226	0.8
67.05494	100.0
69.03412	5.7
69.07060	19.2
69.52150	8.7
71.01330	1.2
71.04964	5.7
73.02911	5.6
79.05012	2.1
79.05479	43.9
79.19673	0.8
81.03404	15.2
81.07042	84.7
83.01340	1.2
83.04965	10.5
83.08604	27.9
85.02889	19.3
85.06542	5.4
87.04477	4.9
91.03933	3.9
91.05465	28.4
93.07027	49.0
95.04953	12.1
95.08591	24.7
97.02866	6.7
97.06517	10.5
97.10157	16.7
97.10776	1.2
99.04459	1.8
99.08057	2.2
99.65807	1.1
103.03936	1.4
105.04523	1.3
105.07009	11.5
107.04939	5.2
107.08573	32.0
109.06507	3.4
109.10133	52.8
111.04420	2.1
111.08066	7.7
112.84797	1.0
116.04652	2.0
117.06992	10.9
119.08556	10.6
121.06500	2.6
121.10117	14.3
123.08084	3.3
123.11691	3.6
125.05954	1.1
125.09606	14.6
127.03882	1.6
129.05478	7.0
129.06993	2.5
131.08551	8.2
133.10104	13.4
135.08043	2.8
135.11664	11.1
137.09599	3.3
139.11086	0.9
143.07066	1.6
143.08484	1.1
143.10684	2.4
144.90016	0.9
145.04915	1.1
145.10104	4.0
147.08092	1.1
147.11650	4.8
149.09575	1.6
149.13234	13.9
151.11157	2.1
153.12746	2.8
155.10654	2.9
157.10132	1.7
159.11667	10.0
163.11148	9.9
165.12723	2.1
167.14362	1.3
173.09579	2.1
173.11716	19.3
173.13249	1.0
175.11110	1.3
177.12775	4.8
181.12242	3.5
185.11740	1.6
189.11154	1.2
191.10696	4.2
193.12238	4.1
195.13762	16.9
199.13220	8.1
209.11729	7.1
211.13330	2.3
213.14815	2.6
217.14281	1.3
227.12723	8.8
229.14310	54.6
230.14725	2.5
239.16478	3.6
249.91772	0.8
257.13727	6.9
265.14243	0.9
267.15909	10.3
269.17429	76.3
270.17883	1.9
283.15366	7.3
285.16879	1.2
293.61737	1.0
297.17215	1.1
301.16394	20.7
357.24463	1.0
374.10184	0.9
393.26230	2.9
405.25980	0.9
411.27286	7.3
422.26614	1.2
423.27350	46.4
424.27631	2.7
431.28018	1.7
449.29324	1.7
459.27380	2.0
477.28357	4.0
495.29456	85.7
496.29651	5.9
513.30444	35.2
514.30951	3.3
538.26007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90303	0.6
55.05500	16.4
57.03429	13.1
59.04965	1.1
61.02916	4.5
65.03909	1.4
67.05494	28.7
69.03417	6.7
69.07063	8.5
70.06561	0.9
71.01320	1.0
71.04980	4.8
71.79409	1.3
73.02876	1.2
77.03909	1.0
79.05480	27.3
79.07922	0.6
81.03404	81.6
81.07040	36.3
81.07752	0.9
82.07377	0.8
83.04510	1.4
83.04966	18.3
83.08605	28.2
84.08075	0.7
85.02892	33.8
85.06503	3.1
86.09663	0.8
86.98458	0.7
91.03954	1.3
91.05465	35.9
92.05797	0.8
93.07027	22.5
95.04952	35.7
95.08593	14.1
96.05221	0.7
97.02870	6.5
97.06510	5.5
97.10144	6.6
99.04438	1.0
99.08073	1.8
99.95516	0.6
104.24162	0.6
105.06326	1.4
105.07013	27.5
106.07330	0.7
107.04929	8.9
107.07922	0.7
107.08580	9.5
109.02840	0.8
109.06495	8.1
109.10139	4.0
111.04443	4.4
111.08061	15.8
113.05996	3.9
114.09148	1.2
115.05423	2.0
117.07002	2.1
119.04910	2.0
119.07719	1.5
119.08561	24.8
121.06458	2.7
121.10126	11.4
123.08064	3.8
123.11694	3.3
125.09620	3.3
127.03895	1.1
128.06198	0.8
129.06979	15.0
131.08549	15.3
133.06465	4.1
133.10101	16.5
135.08023	1.7
135.11627	1.3
137.09589	1.6
142.07779	3.5
145.10141	3.6
147.08006	4.7
147.11658	22.3
149.09589	8.4
151.11108	1.1
157.10098	20.7
159.11641	0.8
163.11115	2.1
165.12706	4.3
169.10020	0.8
175.11162	21.5
177.05472	1.6
184.07278	1.2
189.11249	0.8
193.12213	64.3
194.12617	2.0
207.06453	1.0
211.13260	98.8
212.13634	2.3
249.14799	1.2
267.15863	48.3
268.16223	1.9
268.20923	0.7
285.16919	100.0
286.17261	3.0
339.23157	0.9
349.21796	0.7
357.24194	0.9
367.22632	3.0
385.23663	5.0
403.24805	2.1
410.81171	0.8
433.25726	2.3
441.26428	2.0
451.26355	1.0
459.20825	1.6
459.27338	33.8
460.27579	1.7
477.28421	41.9
478.28799	3.2
495.29465	91.5
496.30103	5.3
627.76471	0.8
639.34253	1.4
692.39764	1.5
700.38367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01855	0.8
55.05497	2.1
55.89621	0.2
57.03426	2.4
57.07046	0.3
58.41266	0.2
58.52932	0.2
59.04980	0.2
61.02916	5.5
67.05492	9.2
68.05830	0.2
69.03418	3.6
69.07056	1.5
70.20683	0.6
70.21085	0.3
71.01333	0.4
71.04979	0.6
73.02905	4.7
75.04421	0.2
76.11379	0.2
79.05473	3.1
81.03405	2.0
81.07040	5.6
83.01377	0.2
83.04946	0.4
83.08602	1.0
85.02893	6.0
85.06534	0.4
85.52457	0.2
87.04459	0.4
90.26330	0.2
91.03934	4.3
91.04468	0.3
91.05460	2.2
93.07029	4.3
95.04948	0.6
95.08593	3.9
97.02872	5.8
97.06516	0.5
97.10174	0.6
97.45867	0.2
99.04427	1.2
101.02363	2.1
103.03919	0.4
105.07005	1.9
107.04920	0.3
107.08565	2.1
109.02863	1.0
109.06512	0.4
109.10141	6.0
111.08062	0.5
115.03909	0.4
117.06982	0.7
119.08583	1.9
121.10126	1.9
123.08002	0.2
123.11668	0.3
125.09605	0.2
127.03901	2.0
131.08548	1.2
133.10112	0.7
135.08043	0.2
135.11670	1.2
137.09595	0.3
143.08528	0.3
145.04970	0.5
145.10100	0.9
147.08014	0.2
147.11703	0.6
149.13246	0.6
150.13568	0.2
155.10690	0.4
159.11700	0.6
161.13287	0.4
163.11165	0.3
169.09888	0.2
173.11726	1.2
183.06496	0.3
184.07365	0.2
185.04224	0.9
187.14848	0.4
195.09912	1.4
203.05319	0.4
227.12747	0.4
229.14395	0.9
243.08388	1.9
259.17032	0.5
261.22104	0.3
275.20041	0.6
291.19650	0.6
335.25705	1.2
342.22348	0.2
388.57043	0.2
413.17749	5.6
414.18216	0.3
519.29364	7.8
519.36719	0.6
520.29510	0.5
529.39264	1.3
678.92731	0.2
691.40149	100.0
692.40546	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	691.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01865	4.4
55.05503	27.6
55.97355	1.8
57.02002	2.0
57.03431	15.5
57.07063	4.1
59.04987	2.0
63.56199	1.5
65.03931	2.7
67.05497	80.8
68.39528	2.1
69.03432	20.9
69.07059	27.3
70.99315	5.8
70.99821	1.6
71.04978	10.0
73.02910	2.7
79.05016	2.7
79.05478	53.6
81.03407	37.9
81.07043	100.0
82.97463	1.7
83.04964	19.9
83.08621	13.1
85.02889	8.3
85.06534	3.2
85.10168	1.8
91.05467	42.9
93.07031	72.5
93.28068	1.8
95.04957	13.4
95.08597	46.7
97.02872	10.0
97.06506	10.7
97.10146	6.9
99.04424	5.9
99.08072	3.2
105.07015	30.2
107.04944	5.9
107.08582	34.2
109.02859	6.7
109.06505	5.6
109.10139	21.7
111.04427	5.4
111.08086	5.3
117.07009	16.5
119.08556	22.8
120.08953	2.3
121.06475	2.5
121.10118	28.7
123.04417	2.1
123.08047	2.3
123.11685	7.9
125.09573	3.1
127.03893	7.0
129.05458	9.2
129.06999	7.4
131.08545	21.9
133.06448	2.9
133.10112	21.4
135.08078	2.7
135.11670	17.3
141.06975	2.2
143.08540	5.7
145.06424	2.2
145.10141	12.0
147.08000	4.1
147.11714	9.0
149.09608	3.0
149.13251	20.7
151.11168	2.1
157.10172	6.6
159.08084	2.3
159.11674	14.6
161.13248	6.5
163.11171	2.6
163.14816	2.3
165.12738	3.2
167.08630	2.5
169.10081	3.3
171.11681	3.4
173.13245	6.9
175.11208	2.6
177.12717	6.9
183.11758	3.1
185.13228	3.8
187.14832	3.3
194.44470	1.8
195.13812	8.5
213.14828	2.3
227.12775	3.3
243.21036	3.4
249.14728	2.8
253.14331	2.2
259.20575	1.9
261.22046	5.3
267.15891	5.2
269.17380	26.8
277.11230	2.1
277.21674	2.2
278.11636	2.0
291.19693	2.8
335.25742	62.0
339.18140	4.6
351.23163	2.0
369.24335	2.3
387.25159	2.8
405.26312	2.5
413.21579	12.5
461.28665	2.2
519.36566	4.2
529.38824	76.6
530.39160	2.4
621.47137	2.0
673.43024	12.5
691.44159	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	690.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01862	2.9
55.05265	0.7
55.05501	10.3
57.03431	8.4
57.07047	0.6
61.02913	2.2
65.03943	1.3
67.05492	17.5
69.03413	3.0
69.07053	7.3
71.04974	3.7
71.79581	0.9
73.02912	1.5
79.05481	22.2
80.69312	0.6
81.03405	32.6
81.07044	22.2
83.04972	9.1
83.08609	14.6
83.95732	0.5
85.02894	14.3
85.06517	1.2
86.09706	1.6
91.05464	18.9
93.07030	28.5
95.04953	16.9
95.05564	0.8
95.08591	28.8
97.02877	4.7
97.06502	3.7
97.10132	2.9
99.04436	4.2
99.08101	1.1
101.05971	0.5
103.05483	0.6
105.06318	1.0
105.07018	13.7
107.04931	8.8
107.08578	21.8
108.08080	1.9
108.08878	1.2
109.06504	3.5
109.10132	4.1
111.04437	3.4
111.08076	6.3
113.05981	2.1
115.05431	1.0
117.07005	7.2
119.08560	15.5
120.08099	3.6
121.06495	5.2
121.08411	0.6
121.09257	0.8
121.10126	13.6
123.08013	1.3
123.11697	1.6
125.05933	2.7
125.09618	1.3
127.03905	0.9
127.07514	1.1
129.05511	0.6
129.06998	6.4
130.07771	1.1
131.04893	0.7
131.08548	6.6
133.06491	2.4
133.10095	7.9
135.08055	2.5
135.11667	37.4
136.12016	1.3
137.09581	1.6
139.07515	1.5
142.07756	0.8
145.10103	21.3
147.08064	1.1
147.11665	8.4
149.09575	2.9
149.13155	0.6
150.12750	2.2
151.13144	0.7
152.14320	4.0
153.12744	1.1
153.14618	1.3
155.08484	0.6
157.10091	7.2
158.10527	0.6
163.11159	44.7
164.11533	1.2
165.12756	1.9
173.09613	1.0
175.11189	8.6
176.57750	0.5
177.05554	0.8
181.12204	7.9
193.12210	22.1
209.11667	1.2
211.13257	26.0
212.13556	0.9
227.12743	52.0
228.13263	1.0
229.14449	0.9
234.16982	0.8
267.15884	26.9
268.16031	1.0
283.15366	58.4
284.15689	1.7
285.16922	48.2
286.17245	1.4
357.21725	1.2
358.21716	1.1
457.33539	0.7
461.28784	1.1
475.26910	29.9
475.33615	1.5
476.27228	1.4
484.94174	0.6
493.27902	100.0
494.28372	6.6
505.28802	1.0
646.36810	4.9
690.40332	6.3
713.45502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	0.7
55.01854	0.6
55.04251	0.3
57.03416	0.3
60.33437	0.3
63.38645	0.2
65.03934	0.5
68.99789	0.8
69.03421	0.9
70.06579	100.0
71.06908	1.1
71.78561	0.4
72.08165	0.3
79.05480	0.6
81.03403	1.4
81.07052	0.5
85.02872	0.8
86.09664	0.5
87.04466	0.3
91.05461	1.1
93.03403	0.6
94.43686	0.2
95.04967	1.6
96.08138	0.6
97.02849	0.6
98.11491	0.3
103.05421	0.6
105.03406	0.3
107.04943	1.5
109.02876	0.7
109.06492	0.8
111.04425	0.7
114.09142	3.0
116.07076	0.3
117.03391	0.4
119.04926	2.3
119.08646	0.3
119.95773	0.2
121.02843	0.6
122.07099	0.4
123.04408	5.5
127.03890	0.9
128.06213	0.3
130.08662	0.7
131.04903	0.7
131.13008	0.2
133.06502	0.4
135.04390	15.3
136.04768	0.3
136.07599	0.4
137.02267	0.5
137.05949	4.9
139.03876	9.6
144.59004	0.3
145.06410	0.4
147.04375	2.2
149.02318	0.3
149.05948	1.0
151.03873	4.5
151.05014	0.3
153.05486	1.0
159.04431	1.0
159.07986	0.3
160.09662	3.3
161.05927	1.4
163.03873	21.5
164.04356	0.5
165.05461	12.8
165.06607	0.5
167.03360	0.3
167.07062	0.5
169.06500	0.4
173.05977	1.2
175.03906	2.8
177.05402	2.1
179.03389	0.8
181.04988	0.6
181.06464	0.5
183.08031	0.3
187.03877	3.7
187.07550	0.6
189.05464	1.0
191.03493	0.7
195.08188	0.3
197.05933	0.5
199.07558	0.4
201.05397	1.6
203.03415	0.9
203.06956	0.6
205.05000	1.9
207.06470	2.4
207.07936	0.3
209.06161	0.3
211.07515	0.9
213.05444	0.7
215.06970	1.8
217.04910	0.8
225.05463	0.7
227.06993	0.6
229.04980	3.4
235.07402	0.3
237.05432	0.3
239.07013	1.8
241.04984	0.9
241.08644	0.4
243.06494	1.6
247.05937	0.6
251.07074	0.6
253.08667	0.3
255.06555	1.0
257.08063	0.4
259.05939	1.3
267.06442	2.1
269.08209	1.1
271.05960	7.1
272.06250	0.4
273.07614	0.5
279.06519	0.4
281.07993	0.6
283.05960	3.0
285.07520	18.2
286.07907	0.8
289.07071	1.6
291.06714	0.3
295.05942	3.8
295.08780	0.4
296.06635	0.4
297.07578	2.4
299.09167	0.4
301.07004	2.1
309.07437	1.5
313.03427	0.5
313.06970	6.2
315.08643	0.5
319.08188	0.5
322.15039	0.7
325.06964	4.0
326.07245	0.4
327.08554	2.4
337.06824	0.3
384.14420	1.8
400.13840	0.6
427.10095	0.4
445.09418	0.6
447.10757	1.4
453.11569	0.6
463.10300	1.2
465.11951	1.9
469.10928	0.3
481.11157	3.0
528.20734	1.4
621.15784	0.6
633.15796	5.0
690.21613	35.2
691.22205	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10213	1.6
51.02364	2.2
53.03934	7.3
55.01861	8.7
55.05505	37.9
57.03432	17.1
57.07056	4.4
61.02910	4.6
65.03928	7.1
67.05498	100.0
69.03424	28.5
69.07062	27.0
70.87688	5.0
71.01331	4.5
71.04988	9.2
71.05334	1.9
73.02919	4.1
73.29365	1.4
79.05484	85.0
81.03410	66.2
81.07047	97.1
83.04975	15.5
83.08605	21.7
85.02894	21.1
85.06516	6.0
87.04449	1.7
91.05471	76.7
93.07034	87.7
95.01313	5.9
95.04957	81.2
95.07986	3.2
95.08596	57.4
97.02888	14.9
97.06530	11.6
97.10149	13.6
99.04449	6.5
99.08096	3.9
103.03913	8.8
103.05431	5.2
105.03337	2.3
105.04540	1.6
105.07021	57.9
107.04957	22.2
107.08580	46.6
107.09309	1.9
108.07074	1.7
109.02864	17.7
109.06527	13.8
109.10149	24.9
111.04459	8.3
111.08050	7.2
113.05956	2.5
113.09642	1.7
115.05453	5.7
116.06219	2.2
117.07003	27.0
119.04934	4.7
119.08570	42.8
121.02890	1.6
121.06484	15.9
121.10131	39.2
123.04417	37.7
123.08073	6.7
123.11717	7.7
125.09612	5.7
127.03893	8.3
128.06221	5.5
129.05510	2.6
129.06987	20.9
129.76711	1.6
130.07826	1.9
131.04921	7.3
131.08546	35.0
133.06464	8.7
133.10112	31.2
135.04413	3.8
135.08043	8.8
135.11670	22.7
137.02345	1.7
137.05925	4.7
137.09615	2.7
137.13246	1.9
141.06979	5.7
142.07703	3.2
143.08533	14.0
145.06511	10.7
145.10109	29.2
147.04411	14.6
147.08025	9.6
147.11668	25.5
149.05968	8.4
149.09608	6.1
149.13234	13.0
151.07530	1.8
151.11174	3.9
153.06955	2.8
153.09100	3.7
154.07835	2.0
155.08537	9.7
156.09363	1.8
157.06468	4.2
157.10095	15.9
159.08023	6.3
159.11668	18.0
161.05940	9.0
161.09634	6.6
161.13223	10.8
163.07483	1.9
163.11154	15.4
163.14880	2.1
164.04536	1.4
165.06987	1.7
165.12730	5.1
167.08604	4.1
169.06386	2.0
169.10088	10.1
171.04428	2.1
171.07999	3.6
171.11678	17.1
173.04535	2.2
173.06004	3.5
173.09589	8.2
173.13220	10.7
175.07549	2.1
175.11174	6.8
175.14824	3.1
177.12761	4.3
179.08623	2.8
180.09370	1.5
181.10080	5.9
183.08063	2.4
183.11678	8.2
185.09677	4.1
185.13208	9.0
187.11150	5.0
187.14827	5.7
188.08423	1.6
189.05493	5.8
189.09132	1.7
189.11206	3.4
189.12762	6.5
189.16341	2.2
191.06941	1.7
191.10712	2.6
191.14258	1.7
193.10590	2.5
193.12193	11.5
195.08011	2.3
195.11679	4.7
195.13814	1.5
197.13318	3.5
199.11194	4.7
199.14856	5.5
201.12854	2.3
201.16249	1.7
203.14211	3.4
205.12250	5.0
207.11882	2.7
207.13791	6.7
209.13214	4.1
211.11234	2.9
211.13274	4.3
213.12885	2.8
213.16425	2.8
217.12245	5.7
223.11215	1.6
223.13216	4.8
223.15094	1.9
225.12689	2.8
227.14394	2.2
231.13716	3.3
235.13219	38.2
235.15324	2.1
241.12018	1.8
241.19511	3.8
243.13794	2.0
243.21100	1.9
245.15312	3.0
247.13275	2.9
249.14839	6.8
255.13727	3.5
259.13245	10.9
259.20557	6.8
261.14844	3.5
261.21991	11.0
267.15973	11.3
269.17511	5.0
273.14822	19.4
273.17642	2.3
273.22021	2.3
277.14273	9.8
277.21561	2.2
283.13300	4.7
285.22113	2.3
289.14191	2.3
291.15955	2.7
301.14301	26.1
301.21735	3.1
303.15912	3.4
309.16833	6.3
315.23178	1.9
317.24774	2.8
319.15375	8.2
331.22726	2.2
333.16931	3.0
333.24292	3.2
335.25809	40.5
336.26169	3.0
337.16336	5.9
351.18094	3.5
357.17383	2.0
367.22534	4.4
369.24155	4.5
375.18088	10.1
377.19327	2.3
387.25320	2.6
393.19186	9.5
411.20313	9.7
413.21967	2.9
435.32523	3.6
437.28668	4.2
443.27774	1.8
479.29623	1.7
509.36133	1.9
525.34723	2.6
527.37335	35.7
528.37701	3.4
529.39166	1.9
543.34894	2.1
545.38477	4.4
561.35522	2.4
569.38422	14.9
593.37958	2.2
611.39423	7.3
617.38104	2.3
623.39063	4.3
635.39380	16.2
653.40509	11.4
671.41693	17.2
689.42407	26.2
690.42749	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	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	1.9
53.03940	12.5
55.01865	11.8
55.05503	37.4
57.03432	16.9
57.75413	1.5
61.02913	2.7
65.03911	7.9
67.05495	95.9
69.03082	2.4
69.03423	28.1
69.07056	28.0
69.51542	19.0
71.01350	4.4
71.04981	11.0
71.08619	1.6
73.02923	3.3
79.05482	88.5
80.05798	1.6
81.03407	90.4
81.07044	100.0
83.04974	18.6
83.08605	25.0
85.02891	21.4
85.06534	2.6
91.04910	3.8
91.05473	83.3
93.07035	83.7
95.01325	4.3
95.04956	83.7
95.08590	60.8
97.02879	21.0
97.06524	11.7
97.10150	12.2
99.04431	7.8
99.08024	2.4
103.03921	5.7
103.05466	3.0
105.07018	59.9
107.04938	22.2
107.07896	2.5
107.08585	42.4
107.09313	2.6
109.02872	18.2
109.06493	14.6
109.10140	24.6
111.04420	10.3
111.08059	9.4
113.05965	2.2
115.05447	4.5
115.07540	2.0
117.07004	25.0
119.04929	5.4
119.08563	44.9
121.02888	2.5
121.06503	13.1
121.10133	38.9
123.04411	33.8
123.08057	6.9
123.11671	7.3
125.05959	3.0
125.09587	10.8
127.03892	9.4
128.06198	5.1
129.05441	3.9
129.06992	22.4
131.04919	8.5
131.08546	35.5
133.06454	10.4
133.10107	25.8
135.04372	3.6
135.08051	8.9
135.11673	21.9
137.05975	5.3
137.09557	3.7
139.11223	2.2
141.06952	5.2
142.07785	3.2
143.08536	13.5
145.06465	6.4
145.10103	28.9
147.04401	13.5
147.08052	10.1
147.11664	23.8
149.05942	7.2
149.09583	8.7
149.13243	7.9
151.07576	2.3
151.11143	2.8
151.14891	1.7
153.09099	2.9
155.07289	1.6
155.08464	8.4
156.09282	2.5
157.06462	5.9
157.10110	16.1
157.25209	1.6
159.08060	4.6
159.11682	15.9
161.05939	6.1
161.09634	9.3
161.13255	8.7
163.07494	3.2
163.11140	18.1
163.14835	3.3
165.12718	4.9
168.74326	1.9
169.10138	6.6
171.04437	2.0
171.07977	4.3
171.11656	13.6
173.04373	5.4
173.05867	3.7
173.09607	7.3
173.13214	10.3
173.60249	1.6
175.07402	2.5
175.11159	12.5
177.12729	3.6
181.10019	3.3
181.12170	2.0
183.11708	4.6
185.09554	4.4
185.13283	8.3
187.11121	4.1
187.14796	3.6
189.05507	4.4
189.09152	1.5
189.11194	5.4
189.12772	9.0
191.10649	4.5
193.12206	24.3
195.07954	2.6
195.11630	2.8
197.09631	2.3
197.13216	3.5
199.11191	2.7
199.14841	3.6
201.12766	4.1
203.14252	3.3
205.12238	4.6
207.11826	2.2
207.13838	5.8
209.13315	3.8
211.13216	25.7
211.14824	2.7
213.12779	3.1
215.14394	2.5
217.12221	5.1
221.13507	1.7
223.13191	4.4
225.12721	2.0
227.12767	5.8
229.14209	2.1
231.13841	2.3
231.21100	1.8
235.13257	36.8
241.19385	2.0
243.21040	2.5
247.13136	3.6
249.14848	5.1
255.13837	3.8
259.13232	12.7
259.20551	4.2
261.22061	11.1
263.16455	1.9
267.15854	10.2
273.14890	19.0
273.17853	2.7
277.14352	7.7
277.21539	2.0
285.16977	8.7
289.14023	2.2
291.15881	4.9
291.19211	2.3
301.14334	27.8
301.21613	3.0
303.15845	2.0
309.16934	6.1
313.21576	2.0
319.15341	7.9
321.17657	1.7
321.21451	1.6
333.16800	3.3
333.24191	2.6
335.25812	52.4
337.16434	6.8
351.18478	2.6
351.23102	4.6
355.17477	4.2
357.16968	3.5
369.24158	4.9
375.18039	12.4
387.25439	4.2
393.19284	9.9
405.26605	2.7
409.08569	1.8
411.20279	9.7
417.70294	1.8
437.29001	6.6
443.27646	4.5
461.29199	3.8
479.30774	2.6
483.16629	3.0
527.37250	19.4
529.97485	2.4
543.35706	2.2
545.38300	5.4
557.38110	2.7
561.35938	2.6
569.38135	12.8
602.23737	9.1
611.39398	6.7
623.39453	3.2
629.23035	2.1
635.39600	13.2
653.40674	15.4
671.41577	17.6
689.42511	52.4
690.42639	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03933	8.9
53.23968	0.5
54.10354	0.6
54.48039	0.7
55.01857	8.6
55.05500	31.6
57.03431	13.2
57.07060	3.7
59.04983	1.4
61.02908	2.5
65.03931	5.6
67.05491	81.2
68.05814	1.6
69.03418	34.0
69.07053	24.4
70.07372	0.6
71.01348	1.6
71.04973	9.9
71.08608	0.8
71.31850	0.7
71.79327	0.8
73.02905	1.9
74.09703	0.8
77.03912	1.4
78.04695	0.7
79.05477	73.4
80.05808	1.2
81.03403	100.0
81.07040	81.6
82.03733	1.3
82.07383	1.8
83.04963	23.4
83.08603	21.6
85.02892	21.1
85.06522	5.0
86.81448	0.6
87.04444	1.2
91.05463	61.7
92.05797	1.6
93.07025	74.3
94.07355	2.1
95.04948	33.2
95.08588	49.8
95.31500	0.7
96.08899	1.0
97.02873	25.8
97.06500	9.2
97.10148	6.5
99.04433	7.6
99.08076	3.0
103.03930	1.4
103.04765	0.5
103.05447	2.3
105.04500	1.4
105.07011	53.8
106.07350	1.3
107.04939	9.7
107.08573	38.3
107.96633	0.7
108.08881	0.7
109.02859	19.1
109.06487	9.9
109.10133	19.6
110.60580	0.6
111.04411	12.8
111.08063	10.3
113.02356	0.7
113.05997	2.0
113.09624	0.7
115.03910	0.7
115.05422	4.5
117.06997	18.7
118.07334	0.8
119.04919	2.0
119.08562	38.5
120.08905	1.0
121.06469	5.3
121.10122	29.8
123.04415	3.1
123.08045	5.9
123.11680	7.2
125.06002	1.3
125.09616	3.2
127.03887	12.6
127.07535	1.1
127.11139	0.8
128.06190	4.3
129.05545	3.9
129.06978	19.1
129.07945	1.0
130.07785	1.3
131.04907	1.6
131.08542	32.3
132.08864	1.0
133.06471	5.2
133.10106	25.2
133.11118	1.3
134.10417	1.1
135.04446	1.0
135.08028	4.8
135.11661	16.4
137.05977	1.7
137.09564	3.4
137.13188	0.9
139.07521	1.2
139.11134	1.0
141.06979	4.8
142.07770	4.2
143.08524	11.8
145.04935	0.6
145.06459	4.5
145.10100	22.3
145.11194	1.3
147.04395	1.3
147.08023	5.9
147.11656	30.2
149.05879	1.3
149.09586	7.2
149.13222	7.8
151.07484	1.2
151.11201	1.4
153.06964	1.5
153.09064	1.2
153.12729	2.4
154.07738	1.1
155.08536	7.0
156.09262	1.2
157.06520	2.4
157.10098	16.5
159.08008	3.3
159.11658	11.5
160.12057	0.7
161.05974	1.2
161.09607	3.5
161.13206	6.2
163.07562	1.1
163.11156	6.6
163.14784	2.2
165.06992	1.5
165.09093	0.9
165.12733	7.3
166.07773	0.7
167.08504	3.6
168.09311	0.8
169.10101	7.8
171.08028	2.8
171.11636	9.1
173.04425	9.6
173.09610	2.5
173.13252	8.2
175.07591	0.7
175.11159	13.7
175.14822	2.4
177.12727	2.7
177.16353	0.7
179.08521	1.0
180.50894	0.6
181.10077	3.7
181.12161	2.9
183.06447	1.2
183.07999	1.1
183.11685	5.9
183.13243	0.7
183.13727	0.6
184.07243	1.0
185.09634	1.6
185.13208	5.6
187.11040	1.5
187.14825	2.8
189.09137	0.8
189.11208	1.5
189.12775	1.9
189.16440	0.8
191.10585	3.3
191.14345	1.2
193.12202	32.8
195.11703	3.8
195.13747	1.9
197.09624	0.9
197.13202	4.0
199.06009	1.3
199.11201	2.4
199.14789	4.3
201.16370	1.3
203.14304	1.0
205.12032	1.0
206.10861	0.8
207.11703	1.5
207.13693	1.1
209.13362	3.1
211.13232	50.1
212.13599	0.8
213.12752	1.8
213.14679	1.3
213.16483	1.5
215.14276	1.3
217.15897	1.0
219.11740	0.9
219.13786	0.7
221.13351	1.4
223.11317	0.7
223.14807	1.4
225.12756	1.3
225.16449	1.5
227.12610	4.7
229.12331	0.9
229.14349	2.3
231.13800	1.5
233.15411	0.8
235.13266	1.9
235.15082	0.9
235.16945	1.1
237.12732	1.0
237.16451	0.8
241.19527	2.5
243.21016	1.8
247.17154	0.7
249.14897	2.2
255.13747	1.2
257.15643	0.8
257.19006	1.6
259.20538	4.3
261.22086	5.8
265.14487	0.9
267.15826	9.1
269.17438	1.2
271.20612	1.2
273.14871	1.8
273.18451	1.4
273.22067	1.5
275.19977	2.0
277.21567	2.0
283.15509	1.2
283.20566	1.1
285.16882	9.0
285.21884	0.7
287.20047	0.9
291.19644	1.1
295.20691	0.8
297.22064	1.4
301.14291	1.2
301.21484	3.1
303.23392	1.0
309.21967	0.8
313.21777	0.9
315.23221	1.9
317.24704	1.7
319.15524	1.1
319.22745	1.0
323.23737	1.0
325.21710	0.8
327.23196	1.0
333.24173	2.3
335.25760	17.2
337.16324	3.1
339.23224	1.5
341.24832	2.1
345.24127	1.5
347.18625	0.7
351.23007	4.9
353.24670	1.3
355.17441	6.5
363.25708	0.8
369.24261	7.2
387.25308	4.0
393.19092	1.5
405.26349	2.6
411.20013	6.9
425.26990	1.1
427.02698	0.7
433.30707	0.8
435.32495	3.7
437.33698	0.8
443.27869	3.2
453.33420	1.9
461.29013	4.5
489.29276	0.7
501.34302	0.7
509.35703	1.7
517.38641	0.8
519.33411	0.7
525.35352	1.0
527.37219	23.7
528.37628	1.4
529.38464	1.2
543.36163	2.0
545.38330	9.7
546.38727	0.9
561.36798	0.9
569.38403	1.5
579.37994	0.7
593.38574	0.8
611.39020	1.0
635.39105	3.1
641.40918	1.2
653.40106	6.3
654.40997	0.9
671.41315	8.7
689.42426	83.1
690.42719	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	688.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01856	3.2
55.05503	19.0
57.03429	12.1
61.02898	2.0
65.03917	1.6
67.05495	41.4
69.03416	4.2
69.07056	10.8
71.04982	6.4
71.79593	1.2
73.02901	0.9
73.06541	1.4
79.05482	59.7
81.03408	53.7
81.07044	40.6
83.04974	20.2
83.08611	18.7
85.02893	15.8
85.06527	3.8
87.04485	1.1
91.05470	54.9
92.05805	1.2
93.07030	52.2
95.04956	32.3
95.08594	21.6
95.97465	0.9
97.02869	5.2
97.06530	5.0
97.10173	4.7
99.04398	1.1
99.08080	1.0
105.06313	2.0
105.07018	37.6
107.04971	8.7
107.08575	13.6
109.06497	5.8
109.10159	5.3
111.04414	2.0
111.08058	8.0
113.05962	1.5
115.05431	2.2
117.06998	6.9
119.08575	29.9
121.06488	5.2
121.10138	9.5
123.08086	5.9
123.11688	1.8
125.09622	1.5
127.03866	1.5
127.07517	1.6
128.06212	1.2
129.06985	18.7
131.08536	10.0
133.06476	3.1
133.10110	14.6
135.08017	0.9
135.11632	1.6
137.09590	1.6
142.07759	1.6
143.08522	5.4
145.10127	9.0
147.08031	5.1
147.11668	34.6
149.09610	3.8
151.11174	1.1
157.10123	10.9
159.11659	1.2
161.09604	3.3
161.13271	7.9
163.11174	2.2
165.12735	2.2
171.11661	18.2
175.11169	12.3
189.12737	6.2
193.12216	26.3
207.13803	18.6
211.13264	33.7
267.15869	32.8
267.18777	1.3
268.95419	0.9
281.17438	58.8
285.16919	34.6
374.35532	1.0
381.24002	1.1
473.28943	100.0
474.29129	5.0
482.68860	1.0
491.29993	86.8
492.30283	3.5
635.32819	1.1
670.39960	1.0
688.39874	1.3
719.98560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
69.18813	0.6
70.06578	1.0
70.15791	3.4
71.66399	0.7
84.08119	0.9
85.02887	1.5
91.05489	0.8
103.05468	0.8
109.10141	0.6
114.09229	1.0
122.06005	0.8
127.03904	0.9
130.08664	1.7
131.10594	0.6
136.06201	0.8
137.06009	1.7
138.05470	1.0
145.02963	0.6
148.03685	4.1
148.07596	0.6
148.11203	9.0
149.11571	4.8
150.11951	1.0
161.04486	1.0
161.05946	0.7
162.05196	3.3
163.03889	1.3
163.06065	2.0
164.06891	0.6
177.05499	1.4
179.05516	16.0
180.06299	1.9
184.06052	1.5
188.06828	1.7
207.06509	0.8
220.05833	0.9
221.06590	2.4
227.05524	2.8
234.70682	0.7
251.11906	0.8
263.11914	0.6
264.29010	0.7
275.11557	1.0
285.12088	2.1
290.13913	1.8
297.12595	1.3
301.09549	2.1
310.46558	0.6
312.54895	0.7
315.11005	4.4
316.11801	7.3
317.12613	3.7
319.10553	6.7
320.11319	1.1
327.12952	1.9
333.11984	3.9
334.12848	4.8
335.13599	4.2
336.10751	0.8
336.14462	0.7
345.14221	9.5
349.15274	1.2
352.10388	1.1
359.09979	7.1
360.10754	13.7
361.11542	41.7
362.12161	2.0
363.12711	0.9
367.12799	0.7
373.82544	0.7
393.14191	6.7
394.14645	0.6
442.17368	0.9
456.19052	3.5
460.17953	1.1
473.19080	0.9
474.19971	4.2
500.17661	3.4
501.18808	1.9
502.19385	0.9
517.18182	4.5
518.17932	0.9
532.20636	3.3
613.26715	1.3
657.25293	37.8
658.25299	2.6
689.27826	100.0
690.28021	5.2
707.86835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92430	0.4
53.03936	1.3
55.01850	0.7
55.05504	9.6
55.05759	0.9
57.03152	0.6
57.03431	11.3
57.07059	1.4
59.04998	2.6
61.02913	3.5
65.03938	1.4
67.05495	86.5
68.05830	1.0
69.03421	1.6
69.07053	6.6
71.04982	3.2
71.08606	0.5
73.02911	1.1
79.05481	15.2
81.07045	32.1
83.04971	1.1
83.08609	6.2
85.02892	4.3
85.06544	2.6
91.03941	1.8
91.05468	11.6
93.07033	20.0
95.04966	1.9
95.08591	24.8
96.08883	0.5
96.88152	0.4
97.02882	1.6
97.06522	1.5
97.10170	2.1
98.21465	1.0
99.08077	0.7
105.07016	5.7
107.08578	11.2
109.06533	1.0
109.10143	75.3
110.10480	1.5
111.08094	2.9
113.09666	0.5
117.06985	2.6
119.08559	9.9
121.10127	10.5
121.10971	0.9
123.11667	3.4
125.09609	1.7
127.03883	0.6
131.08554	5.1
133.10094	4.1
135.11665	7.8
137.09569	3.2
137.13278	0.8
139.11177	0.6
145.10091	3.5
147.11667	3.3
149.09676	0.8
149.13203	3.7
155.10634	4.3
159.11673	3.3
161.13234	2.4
163.14836	3.1
173.11739	21.4
173.13225	2.7
175.14832	0.9
177.16345	0.8
187.14851	1.7
189.11252	0.7
201.16394	0.8
213.14766	0.6
227.12781	5.5
229.14322	100.0
229.51686	0.5
230.14757	2.9
233.22534	0.5
243.21004	4.9
259.20609	0.5
261.22107	16.1
298.80069	0.5
317.24725	2.9
335.25763	65.2
336.26059	2.9
353.51553	0.4
379.29922	0.6
397.31055	1.5
415.31863	1.4
435.42499	0.5
471.34680	1.8
489.35718	37.9
490.36026	3.8
507.36884	3.4
508.37057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.50935	0.4
55.01860	0.6
55.05506	11.2
55.61035	0.4
57.03432	12.6
57.07067	1.9
59.05000	3.6
61.02917	4.5
65.03930	1.6
67.05497	96.7
68.05852	0.7
69.03421	1.4
69.07063	7.7
70.13824	0.4
71.04972	3.1
71.08636	0.7
71.59296	0.8
73.02902	1.5
73.49894	0.4
79.05014	1.0
79.05482	20.5
81.03424	0.5
81.07047	40.3
82.29164	0.5
83.04978	0.5
83.08607	7.7
85.02893	3.7
85.06522	2.5
91.03950	2.1
91.05469	14.5
93.07033	27.0
93.78326	0.5
95.04961	1.8
95.08595	23.9
97.02859	2.8
97.06512	1.3
97.10168	1.7
99.08031	0.9
105.07014	7.6
107.08578	13.5
109.10143	75.9
110.10489	1.0
111.08055	3.5
113.09646	0.6
117.07000	2.4
119.08562	11.0
121.10126	10.8
123.08070	1.1
123.11700	3.2
125.09615	1.5
127.03880	0.8
131.08545	5.2
133.10120	5.0
135.11667	7.5
137.09581	2.9
137.13243	1.2
145.10092	3.5
147.11659	4.0
149.13234	4.7
155.10654	4.2
159.11655	3.3
161.13229	2.3
163.14809	2.1
173.11751	20.8
173.13246	4.3
175.14812	1.3
177.16338	0.9
183.11658	0.6
187.14789	1.7
189.11211	1.1
201.16350	0.7
227.12692	4.8
229.14326	100.0
230.14786	2.3
243.21065	5.2
261.22119	21.8
279.23111	0.6
317.24789	3.5
329.11325	0.5
333.23816	0.7
335.25757	81.7
336.26184	2.6
338.80829	0.5
342.35953	0.5
379.29816	1.1
397.30988	2.2
415.31958	1.1
471.34647	1.2
474.72690	0.5
489.35718	72.8
490.36310	3.9
507.36850	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	686.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56313	0.0
53.03937	0.1
55.01862	0.1
55.05504	0.1
55.30600	0.0
56.05024	0.1
58.06574	0.1
61.02901	0.0
63.34967	0.0
65.03928	0.1
67.05487	0.1
68.04728	0.1
68.05025	0.7
69.03418	0.1
69.05473	0.1
69.05806	0.6
69.07047	0.1
70.06581	0.8
71.07351	0.1
71.79437	0.0
72.08128	0.1
76.77097	0.0
77.03919	0.1
79.05478	0.3
81.03407	0.2
81.07043	0.1
83.04959	0.1
84.08122	0.1
85.02895	0.2
89.03905	0.1
91.05451	0.7
92.05006	0.1
93.07040	0.1
95.04972	0.1
95.08603	0.1
96.04494	0.1
96.08114	0.1
97.02885	0.1
97.06539	0.1
99.04447	0.1
104.06241	0.2
105.07018	2.2
106.06551	0.5
107.04948	0.2
109.02859	0.2
110.06064	0.1
110.07160	0.1
114.09160	0.1
114.12776	0.1
115.05430	0.1
116.06210	0.1
117.06982	0.3
118.06544	0.1
119.04917	0.1
119.08510	0.1
120.08089	2.7
121.06495	0.1
121.08438	0.0
122.06007	0.4
123.06774	0.1
123.08132	0.1
124.07589	0.5
125.05895	0.1
127.03921	0.2
129.06953	0.1
130.06561	0.1
130.08621	1.2
131.04915	0.2
131.07242	0.1
131.08574	0.1
132.08060	0.6
133.08853	6.2
134.05977	0.4
134.09279	0.1
135.04361	0.2
136.03905	0.1
136.07587	0.1
137.05945	0.8
144.07999	0.1
145.02847	0.1
145.06470	0.6
145.10143	0.1
146.09531	0.3
147.04390	0.2
147.10431	0.1
148.11186	100.0
149.11540	2.1
150.05472	0.8
151.03920	0.1
151.06319	0.1
151.07483	0.1
152.07057	1.1
159.08025	0.1
161.05923	0.1
163.03885	0.3
163.11215	0.1
164.04184	0.1
165.10207	0.4
170.08127	0.5
170.09482	0.1
171.10385	0.5
172.11206	0.3
173.05968	2.1
174.06561	0.1
175.03915	0.1
175.07532	0.2
177.05455	0.2
177.07788	0.1
177.09245	0.1
184.11253	0.1
185.05893	0.2
186.05594	0.1
187.07394	0.1
187.11176	0.1
190.08603	1.7
190.60751	0.1
191.06969	1.1
191.08669	0.1
198.08931	0.1
201.05450	0.4
202.08594	0.9
203.06938	0.3
207.06482	0.1
214.08650	0.2
219.11282	1.4
220.09650	0.9
225.09067	0.1
233.11702	0.1
234.06696	0.1
235.07565	0.1
243.11282	0.2
247.18021	3.4
248.18329	0.1
249.08934	0.1
249.11215	0.3
262.06271	0.2
263.07031	0.1
275.17502	6.7
276.17886	0.2
277.08597	0.2
280.09613	0.2
290.05731	0.2
292.07193	0.1
292.13705	0.1
295.09686	0.1
301.11121	0.0
304.13458	0.1
305.08139	0.4
306.08279	0.1
307.09756	0.1
309.11353	0.1
319.09485	0.1
322.08508	0.1
325.10733	0.1
337.10654	0.7
338.11115	0.1
349.15405	0.5
355.11667	0.2
366.18079	1.1
367.16476	1.1
370.21066	0.1
377.14926	0.2
394.17563	3.2
395.15985	0.6
412.18622	6.4
413.19034	0.3
454.34753	0.1
493.23956	0.1
511.25275	0.1
517.27832	0.1
521.27429	0.1
606.10388	0.1
640.34802	0.6
649.36810	0.1
651.31317	0.2
656.23004	0.2
668.23920	0.3
668.34265	4.7
669.24152	0.1
669.34265	0.4
686.24158	0.8
686.35138	1.1
687.24841	0.1
687.35632	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
55.05490	0.1
55.95967	0.1
56.05020	0.1
56.91308	0.1
57.03414	0.1
67.05476	0.2
68.05018	1.4
69.03400	0.2
69.05490	0.1
69.05802	1.3
69.07049	0.2
70.06226	0.1
70.06579	0.8
71.04964	0.2
71.79116	0.1
72.08154	0.1
73.02893	0.1
79.05477	0.4
81.03404	0.5
81.07043	0.6
82.74647	0.1
83.08620	0.1
84.08113	0.2
85.02908	0.5
86.09673	0.1
89.03886	0.2
91.05441	1.0
93.07008	0.4
95.04918	0.3
95.08573	0.3
96.04455	0.2
96.05227	0.1
96.08129	0.1
97.02898	0.2
97.06522	0.2
99.04427	0.1
101.17133	0.1
104.06213	0.2
105.07024	2.4
107.04904	0.3
107.08560	0.4
109.02837	0.3
109.06557	0.1
109.10153	0.4
110.06017	0.1
111.04424	0.1
114.09164	0.2
114.12779	0.2
115.05421	0.1
116.06221	0.1
117.03361	0.2
117.06973	0.2
119.04967	0.2
119.08543	0.2
120.08090	5.2
121.06458	0.1
121.08443	0.1
121.10127	0.2
122.06004	0.3
123.11684	0.2
124.03902	0.1
125.05936	0.1
127.03876	0.3
129.07053	0.1
130.08617	1.2
131.04893	0.3
131.08571	0.2
132.08066	0.7
133.08852	7.0
134.09616	0.1
134.73805	0.1
135.04408	0.6
135.11658	0.3
136.07584	0.1
137.05942	1.1
137.13165	0.1
138.05437	0.1
143.08466	0.1
144.08020	0.1
145.02853	0.6
145.06442	0.6
145.10089	0.1
146.09636	0.3
147.04391	0.5
147.07997	0.1
147.11659	0.2
148.11186	100.0
149.05969	0.2
149.11543	2.5
150.05502	0.4
151.03925	0.4
151.07469	0.3
151.11137	0.1
157.06516	0.1
159.08012	0.1
161.05940	0.2
161.13231	0.1
163.03882	3.3
163.07492	0.2
164.04195	0.7
164.07059	0.1
165.10214	1.2
167.07002	0.2
171.10352	0.2
172.11214	0.2
173.05969	1.9
175.03894	0.2
175.07553	0.3
177.05473	0.5
177.07791	0.2
181.04921	0.2
181.08784	0.1
183.08130	0.1
185.05969	0.3
189.09114	0.2
190.08528	0.7
191.07008	2.0
192.07404	0.1
192.10220	0.1
193.08627	0.1
201.05359	0.1
201.09172	0.2
202.08586	0.6
203.06978	0.6
207.06554	0.4
219.09837	0.1
219.11372	0.3
220.09644	2.0
237.10219	0.1
247.18053	3.1
248.18472	0.1
251.11792	0.1
259.09924	0.1
265.09641	0.2
267.11215	0.2
275.17499	5.4
276.17978	0.2
279.11380	0.2
281.12955	0.1
282.13367	0.1
290.25790	0.1
297.12152	0.1
308.26596	0.1
325.12122	0.1
339.13348	0.1
341.14490	0.1
349.15540	0.2
366.18213	0.3
367.16501	2.4
368.17023	0.1
377.15332	0.1
394.17569	1.1
395.16000	1.2
397.19513	0.2
412.18610	16.9
413.18930	0.8
497.16147	0.1
501.18427	0.1
510.10025	0.1
511.25705	0.4
529.17920	0.2
545.22388	0.1
610.27905	0.2
640.35132	0.2
654.26129	0.6
655.27039	0.1
668.34515	1.2
669.33435	0.4
686.35754	3.5
687.36090	0.2
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
53.03933	0.7
53.84155	0.2
55.01862	0.3
55.05500	2.4
57.03412	0.4
61.02911	0.4
65.03920	0.3
67.05499	1.5
68.05000	1.1
69.03417	2.5
69.07057	4.3
70.06562	1.0
71.04973	0.4
71.79300	0.4
77.03912	0.2
79.05480	2.7
80.04994	1.2
81.03386	0.9
81.05784	2.7
81.07044	1.3
82.06551	0.5
83.01346	0.5
83.04971	4.2
83.08601	0.7
84.08135	0.4
85.02879	1.6
85.06513	0.4
86.06056	0.4
86.09685	0.6
87.04449	0.5
91.05453	2.4
93.07022	2.2
94.06556	2.0
95.01303	0.9
95.04945	1.2
95.08589	4.4
96.08116	4.3
97.02878	0.7
97.06513	1.2
97.10140	1.1
99.04456	0.3
103.05441	0.5
104.07068	0.9
105.07018	5.9
107.04945	0.3
107.08578	2.8
109.02837	0.7
109.06483	0.7
109.10124	1.1
111.04430	0.5
111.08095	0.4
112.07585	0.5
114.09149	100.0
115.09523	0.9
115.46480	0.3
117.03318	0.4
117.07002	0.5
119.04935	0.5
119.08562	11.9
120.09344	0.4
121.06502	0.9
121.10127	4.1
123.04407	0.7
123.08006	1.6
123.11668	0.4
125.05981	0.6
125.09616	0.4
127.03912	0.8
130.08624	1.1
131.04965	0.4
131.08543	1.1
133.06476	0.5
133.10110	12.2
133.11133	0.6
134.10860	0.4
135.04437	0.3
135.08025	0.9
135.11667	0.6
136.03905	0.3
137.05959	1.5
138.05424	0.4
139.03871	1.0
141.01797	0.6
141.05548	0.3
143.03380	1.5
143.08557	0.5
145.02843	1.2
145.10117	1.0
145.86780	0.3
146.08101	0.5
147.04387	0.6
147.08005	0.6
147.11662	4.5
149.05978	0.7
149.09607	0.3
151.07536	0.5
152.06998	0.3
153.05453	0.6
153.06812	0.3
153.09102	0.6
154.08603	0.4
157.04955	1.1
159.08090	0.3
159.11674	0.5
160.12549	0.4
161.05949	0.4
161.09535	0.5
161.13239	2.8
163.03894	0.8
165.09070	0.4
167.07057	0.9
173.13336	0.3
174.11234	10.3
175.07626	0.7
175.14796	16.1
176.15602	1.3
177.05467	2.5
178.05782	0.3
179.07030	1.1
183.06511	0.7
185.04465	1.0
189.09102	0.4
193.08543	0.4
201.05423	0.4
203.05560	0.9
205.08490	0.3
207.06544	0.5
215.05507	0.9
217.08488	0.3
264.08896	0.4
265.09509	0.4
276.14474	0.5
277.09674	0.3
279.11288	0.4
282.13477	0.3
292.08459	0.5
300.14337	0.4
318.15451	4.1
325.11526	0.4
336.16568	0.8
482.26837	0.4
496.29208	0.6
510.30603	6.5
511.31070	0.5
686.33752	60.2
687.34460	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	685.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01844	3.6
55.05502	20.6
57.03429	16.5
57.07068	37.0
58.07381	1.0
59.04950	1.0
65.03911	1.1
67.05493	37.0
69.03425	11.2
69.07059	12.3
71.04970	4.1
71.08624	23.1
71.79131	1.1
71.79520	1.7
73.02896	1.8
79.05480	18.1
81.03406	61.4
81.07039	31.0
83.04965	30.1
83.08607	27.3
85.02892	17.1
85.06516	2.5
85.10172	14.6
89.06003	3.3
91.05444	17.3
93.07027	14.4
95.04955	17.2
95.08592	30.2
97.02876	11.6
97.06536	5.3
97.10156	7.7
99.04452	3.0
105.07008	16.5
107.04916	5.2
107.08586	8.0
109.02869	8.3
109.06487	3.8
109.10142	21.4
109.11333	1.1
111.04427	12.8
111.08069	7.8
113.05958	2.0
115.05450	1.5
117.06971	2.4
119.08569	12.6
121.06483	1.6
121.10133	8.2
123.04406	1.4
123.08057	1.3
123.11661	6.1
125.09576	1.9
127.03905	5.1
129.05461	10.7
129.06944	6.7
131.08542	8.3
133.06514	1.9
133.10098	7.3
135.11659	4.5
137.09613	2.4
137.13289	1.1
142.07803	1.7
143.08646	1.0
145.10097	4.2
147.08005	2.2
147.11681	12.2
149.09576	5.2
153.12770	2.4
155.08531	1.0
157.10091	12.2
159.11646	1.5
163.11140	3.1
165.12724	4.3
171.11737	1.1
173.11740	2.6
173.13162	1.2
175.11131	10.5
181.12178	3.2
191.10657	3.0
193.12219	33.9
198.63028	1.1
211.13268	43.1
211.79440	1.1
212.13606	1.7
227.12657	5.4
229.14334	17.1
235.13126	1.1
239.23778	3.3
249.14836	1.8
261.22028	2.1
267.15921	15.9
268.16141	1.4
283.15274	1.7
285.16931	10.1
301.14139	1.5
313.27313	51.5
314.27634	3.4
319.15485	1.5
335.25732	12.2
337.16464	2.2
354.11566	1.1
355.17410	4.6
393.19177	1.5
411.20242	3.5
429.21109	19.8
430.21384	1.3
489.35858	8.6
505.38736	11.0
523.39874	100.0
524.40326	6.7
573.48517	2.5
667.44049	18.6
668.44135	2.2
685.41943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
51.02375	0.8
52.14442	0.3
53.03938	2.2
55.01865	1.9
55.05503	7.6
57.03427	3.7
57.07064	0.4
58.15920	0.3
61.02907	0.7
65.03927	1.3
67.05494	27.4
69.03413	1.1
69.07060	6.9
70.06576	0.3
71.04981	1.5
73.06545	1.4
73.96046	0.3
77.03913	0.5
79.05481	43.9
80.05806	0.4
81.03409	5.3
81.07043	24.7
83.04966	8.7
83.08613	4.5
85.02885	1.3
85.06535	2.0
91.05462	32.8
92.05796	0.7
93.07030	44.0
94.07365	0.8
95.04951	12.8
95.08590	15.5
97.02888	1.2
97.06522	3.1
97.10166	2.0
98.21380	0.8
99.04424	0.4
99.08085	0.7
101.05986	0.4
103.05479	0.3
105.04519	1.2
105.07014	24.1
105.41080	0.3
107.04934	3.7
107.08576	12.0
109.06495	4.1
109.10131	2.9
111.08061	1.1
115.05434	1.1
117.07008	4.7
119.05046	0.4
119.08562	15.9
120.08922	0.5
121.06507	2.0
121.10142	2.7
123.08059	3.9
125.09599	0.5
127.07510	1.0
128.06213	1.0
129.06979	11.5
131.08578	1.8
132.82979	0.3
133.06508	0.8
133.10106	5.9
135.08112	0.5
135.11691	1.6
137.06012	0.5
141.07011	0.6
141.09053	0.4
143.08543	5.6
145.10106	7.1
147.08043	1.4
147.11662	24.1
148.11980	0.6
149.13199	0.4
151.03951	1.7
151.07568	0.5
153.09238	0.3
156.09322	0.5
159.11606	0.7
161.09601	3.4
161.13237	7.6
163.11157	1.5
165.09085	0.5
169.09993	0.4
171.11661	16.6
172.12024	0.5
179.14247	0.6
181.12189	0.3
183.11703	0.4
189.12700	7.1
189.14301	0.6
207.13768	18.5
221.18111	0.3
225.14890	2.2
229.45157	0.4
259.91119	0.3
263.16449	1.5
281.17432	43.9
282.17862	1.6
292.69321	0.4
307.18723	0.3
377.24359	0.5
395.25711	0.4
469.29651	2.4
487.30475	100.0
488.30753	6.1
543.36359	0.8
567.33197	0.5
631.34473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.05502	13.8
57.03421	1.9
57.07056	5.6
59.96840	1.2
60.73542	1.2
65.03923	4.2
67.05496	39.5
69.03410	5.3
69.07060	43.1
71.04980	2.2
79.05487	19.2
81.03407	3.9
81.07048	57.5
83.04971	43.0
83.08599	8.6
85.02894	5.1
85.06541	1.5
91.05447	20.0
91.17102	1.1
93.07036	38.7
95.04965	7.8
95.08596	53.0
97.02863	1.9
97.06497	2.0
97.10147	5.5
99.04523	1.7
100.25895	1.2
105.07025	34.1
107.04941	3.6
107.08581	64.3
109.02858	1.8
109.06510	2.7
109.10146	100.0
110.10477	3.2
111.04425	63.8
111.08080	1.5
111.11686	3.2
117.07017	7.1
119.08564	34.1
121.06495	3.3
121.10130	40.4
122.10448	1.6
123.04419	1.6
123.08064	2.3
123.11687	34.1
127.03913	1.5
128.06166	1.4
129.05473	5.7
129.06992	5.1
131.08565	15.8
133.06407	2.4
133.08603	1.5
133.10110	22.1
135.08034	8.3
135.11681	50.5
137.05901	1.9
137.13246	29.2
139.07501	2.4
141.06917	1.9
142.07753	1.4
143.08545	10.1
145.10094	18.1
147.08011	2.3
147.11691	21.9
149.13240	20.4
151.07500	2.3
151.14793	3.5
153.05435	25.3
155.08551	2.2
156.09320	1.8
157.10124	8.6
159.08070	1.4
159.11673	15.8
161.09570	3.7
161.13202	12.7
163.07521	10.0
163.11194	2.8
163.14828	10.5
165.09109	3.6
168.26788	1.4
169.10121	3.1
171.06540	6.9
171.11658	11.7
173.09570	1.8
173.13225	12.2
175.14810	9.8
177.09102	5.1
177.16357	2.8
179.10643	5.3
181.10115	2.0
183.11681	2.7
185.13220	10.8
187.11136	1.8
187.14790	14.0
189.09120	4.0
189.16368	11.6
191.10641	3.6
191.17996	10.9
193.12186	1.4
193.19536	3.3
195.11653	3.0
197.13275	3.0
199.14798	6.6
201.16362	9.3
203.10663	3.5
203.14305	2.9
203.17944	15.5
205.12239	2.5
205.19560	3.6
207.13756	2.4
211.14864	3.0
213.07512	1.7
213.12817	2.3
213.16382	5.1
215.17957	3.3
217.12190	2.4
217.19495	3.7
219.13728	3.0
225.16447	1.5
227.17886	1.8
229.19519	2.5
229.51132	1.6
231.08638	21.4
231.13763	5.8
233.15326	6.6
239.17905	2.5
243.21120	3.7
245.15439	9.9
247.16890	9.1
253.19524	2.3
255.21028	1.9
257.15323	1.7
267.21143	1.7
275.20093	2.9
285.18524	2.9
287.20068	1.6
299.20062	4.5
301.21411	2.4
309.25677	4.1
313.21710	3.3
315.23108	3.5
327.23315	1.6
333.25775	1.6
351.26706	2.6
367.26178	1.8
369.27850	61.3
370.28220	4.1
377.31976	8.0
381.27878	3.3
419.33212	2.8
437.34140	53.8
438.34299	3.7
489.28415	4.0
645.87646	1.5
667.37909	3.8
685.38184	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	683.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56656	0.5
54.92316	0.6
65.03900	0.7
67.05491	3.2
69.03386	0.9
69.07045	0.7
71.34190	1.4
71.34533	0.8
72.77229	0.6
79.05453	0.9
81.03355	0.8
85.02833	0.6
91.05437	1.9
92.26045	0.5
93.07003	0.8
94.06551	1.1
95.04910	1.9
106.06511	1.7
108.08111	0.8
109.02821	1.3
109.06494	0.7
110.06030	3.3
110.07150	0.6
112.07528	0.5
122.06030	3.5
124.07569	0.9
126.05554	0.6
127.03835	1.5
134.06030	0.8
134.09561	0.8
136.07558	11.0
137.05933	1.1
138.05486	8.9
140.07039	3.1
145.02737	0.6
146.05931	2.7
146.09633	2.0
148.07581	3.8
150.09090	1.5
151.03854	0.6
152.07011	2.5
154.04922	1.0
154.08607	1.4
156.06502	1.3
158.08275	0.6
162.05447	0.9
162.09091	4.1
162.54323	0.5
163.03909	1.2
163.07523	0.6
164.07048	22.4
164.08470	1.1
166.07275	1.1
166.08618	16.3
167.06941	0.7
172.03909	4.3
173.10670	1.0
174.05464	2.6
174.09093	1.1
176.07063	3.1
177.05399	1.1
180.10162	3.5
181.08601	3.0
188.06931	0.6
190.04936	2.2
190.08611	1.0
192.06526	0.6
204.06494	4.9
207.06352	1.0
208.09662	9.6
210.11479	0.9
210.80196	0.6
211.08710	0.7
211.12245	0.8
213.10211	1.1
219.09085	0.6
221.10674	1.1
222.07452	1.1
222.11336	1.3
223.12239	2.2
225.10190	1.9
225.13800	1.2
226.10889	0.7
227.08093	1.1
227.81924	0.7
233.10843	0.7
235.08739	1.4
235.12241	1.8
236.09285	1.1
236.13049	1.4
237.10156	6.7
237.13797	2.1
238.10881	2.5
239.11787	7.4
240.12598	0.7
241.09700	2.6
243.11203	2.6
245.09093	1.0
246.07660	1.0
247.12306	1.0
248.09337	4.3
249.10115	4.9
250.10970	5.1
251.11778	10.5
252.12534	1.5
253.09723	1.9
253.13220	2.8
254.10493	0.7
255.11333	1.6
259.10739	2.2
262.10947	1.3
263.11755	20.8
264.08914	1.0
264.12537	3.8
265.09677	8.7
265.13324	16.4
266.10422	1.6
266.13885	1.7
267.11334	3.6
267.14139	0.6
268.12238	0.7
269.09134	1.6
269.12869	1.8
271.10666	0.8
271.14432	1.5
275.11719	1.3
276.08963	0.8
277.09537	5.1
278.10416	2.7
279.11255	34.2
280.11969	3.2
281.12750	3.0
282.13654	1.3
283.10687	1.8
283.14404	0.7
284.11575	1.0
285.12347	1.4
287.10226	14.7
287.13397	0.6
291.11258	9.1
292.12070	1.4
293.09158	2.9
293.12805	7.6
294.10245	0.8
294.13562	0.7
295.10803	10.5
295.14087	1.2
296.11465	2.4
297.08945	1.2
297.12308	16.9
298.13007	2.3
299.14005	0.8
307.10687	1.6
309.12292	50.6
310.13071	9.7
311.10172	1.7
311.13794	17.1
312.14496	1.6
313.11810	3.5
313.15430	3.8
319.10516	7.4
321.12326	1.9
323.10535	0.8
323.15952	1.9
324.11163	0.7
325.11899	5.4
329.11334	2.3
335.10352	2.1
337.11789	100.0
338.12469	11.6
339.13348	12.9
340.14142	1.1
341.11096	0.9
343.12878	0.7
345.14371	0.9
347.12360	0.7
353.11258	11.1
354.11923	1.0
355.12830	8.3
356.13354	0.6
357.14609	0.9
358.15536	0.7
361.13907	1.3
369.14413	38.1
370.15134	3.8
371.16013	11.9
385.13885	2.0
399.15280	1.1
401.13474	2.9
430.17593	0.7
432.19031	1.0
434.17303	0.8
440.16022	0.9
448.18729	1.7
450.20334	3.4
458.17084	3.3
466.19559	1.3
468.21310	19.4
469.21695	0.9
476.18134	9.3
494.19174	55.8
495.19241	3.2
508.20972	4.3
512.20215	10.5
526.21826	88.1
527.22076	4.6
573.23712	1.3
591.24133	1.3
597.23267	1.9
615.24200	4.4
633.25610	4.8
647.26788	0.7
651.26593	12.8
665.28418	1.2
683.29462	6.4
684.29480	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	683.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31052	1.5
54.04541	1.6
55.01857	7.1
57.03414	3.7
61.02907	2.0
65.03925	3.3
67.01856	3.4
67.05476	2.5
68.99767	5.3
69.03410	5.7
70.06581	13.4
71.78540	2.1
72.08131	4.7
72.30099	1.9
73.02880	2.0
76.47205	1.7
79.05473	5.2
81.03402	11.7
81.04562	2.1
83.04968	3.9
84.08129	2.3
85.02888	36.7
86.09699	3.0
87.00781	2.3
89.03903	2.1
91.05454	8.2
93.03392	15.4
93.07003	2.1
94.06550	3.9
95.01339	3.7
95.04955	10.8
97.02308	2.1
97.02884	19.5
99.04421	2.7
103.03942	3.0
103.05447	4.4
105.03363	3.4
105.06991	4.1
107.04945	28.2
109.02879	16.4
109.06499	2.0
111.04415	8.2
114.09142	7.3
114.10217	2.1
115.05419	4.4
117.03329	2.2
117.06941	2.9
119.04917	13.1
121.02848	24.7
121.06464	8.4
122.05998	3.2
123.04439	10.9
125.02379	2.5
127.03892	6.4
129.01823	2.5
130.08618	4.7
131.04939	9.3
133.02803	4.6
133.06451	9.8
135.04407	20.4
136.07574	2.2
137.02364	2.5
137.05940	10.6
139.03885	7.9
140.07054	4.0
141.06970	2.4
145.02797	9.6
145.06476	4.2
147.04382	39.7
149.02306	6.2
149.05928	6.1
151.03893	12.0
151.07497	2.4
153.01772	6.2
157.06459	3.2
159.04379	9.2
161.02322	4.6
161.05948	8.8
161.08324	4.0
163.03836	14.9
164.07027	5.0
165.01768	9.3
167.03346	2.4
169.06444	2.9
171.02930	2.7
171.04333	4.4
173.02307	6.3
173.05934	9.4
175.00253	3.4
175.03862	12.7
175.07504	3.5
177.01823	15.8
177.05472	20.4
179.03307	3.6
179.06982	2.4
181.01389	1.8
181.04886	3.8
182.08067	1.8
183.02861	4.4
183.04436	1.7
185.05984	5.1
187.03894	14.1
187.07469	3.1
189.01857	21.1
189.03801	3.4
189.05397	5.1
191.03371	18.2
191.06920	2.2
193.01244	2.8
193.04890	2.0
195.02870	41.1
197.05913	2.8
199.03865	4.5
201.01820	7.9
201.05443	16.3
203.03339	15.6
203.07060	2.9
204.06517	4.5
205.01329	8.3
205.04933	5.0
207.02859	44.0
207.06390	16.6
209.04379	6.5
213.05461	5.0
213.34198	2.1
215.03345	15.0
215.07068	2.2
217.01274	3.0
217.04865	5.8
219.02855	100.0
221.04422	9.9
223.02319	17.1
225.03844	31.4
225.05760	2.5
227.03403	8.7
229.01390	2.6
229.04935	18.0
231.02867	41.5
231.06357	3.1
233.04378	23.8
235.02403	3.4
237.03871	31.9
241.01070	2.2
241.04950	5.2
243.02887	29.6
243.06520	5.8
245.04388	13.8
247.02487	2.0
247.05972	5.6
249.03854	25.7
253.04875	4.6
255.02794	13.5
257.04416	21.6
259.02368	5.4
261.03894	96.2
262.04254	4.4
267.02844	3.8
269.04410	6.8
269.11597	2.1
271.02051	2.2
271.05856	7.6
273.03897	44.9
274.04242	3.2
275.05429	7.0
279.04697	2.1
281.04410	8.1
283.02350	3.0
283.05801	3.2
285.03897	52.6
285.06989	2.2
287.05515	2.5
289.03412	2.0
291.04922	31.6
293.04330	3.5
295.06125	3.4
297.03891	12.4
297.07492	10.0
298.14401	10.6
299.05508	9.5
303.04932	47.7
304.05112	3.8
309.03897	7.2
309.07333	5.9
311.05420	4.8
313.06815	3.1
313.11765	2.4
313.69757	2.2
315.04828	8.2
315.08292	3.4
321.06061	14.5
323.05569	2.4
325.06900	2.5
327.04874	37.6
327.08588	26.6
339.05048	7.1
339.08704	41.1
341.07043	1.9
345.06116	10.5
351.04813	4.4
351.08569	16.3
357.05859	3.0
357.09787	12.3
363.08127	10.5
369.06039	10.0
375.07935	6.1
381.09708	33.9
387.07040	11.0
389.04819	5.9
393.09689	30.8
405.09088	24.5
407.06082	12.1
411.10974	8.7
417.09692	6.7
423.10681	28.2
425.07022	25.0
427.10165	2.9
429.11987	18.6
431.05695	6.0
435.10828	2.3
441.11731	20.7
447.10690	16.9
449.07147	16.9
455.06033	4.1
459.12704	24.8
460.86539	2.1
461.06836	3.5
465.11481	5.8
471.11044	3.2
473.07028	9.9
477.11819	3.4
479.08252	5.9
483.12930	2.5
489.11566	7.9
491.08121	21.5
495.12701	12.7
497.10736	8.2
507.12811	12.0
509.09473	18.3
515.11719	15.3
525.13892	8.6
527.10742	16.6
533.10632	2.6
543.14771	5.2
545.12567	10.2
563.11865	3.3
569.13055	11.5
575.10571	2.3
581.12653	7.3
593.12555	5.5
611.13794	6.2
629.14661	2.5
683.29803	3.7
684.95343	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	682.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01849	5.3
55.05498	37.6
57.03429	11.5
57.07066	14.8
57.07300	2.1
65.03917	4.4
67.05493	100.0
69.03429	3.7
69.07056	35.2
70.46584	9.7
71.05004	2.5
71.08612	11.2
74.09694	2.1
76.12418	1.9
76.38994	2.3
79.05482	69.6
81.03397	7.3
81.07044	96.0
83.04974	10.6
83.08609	17.9
85.06534	5.1
85.10144	3.3
91.05463	55.3
93.07027	81.7
94.07349	2.5
95.04955	13.8
95.08594	66.0
95.11317	2.3
96.08926	2.7
97.06520	9.0
97.10161	8.8
99.08073	8.3
105.07014	47.6
106.07333	3.0
107.04959	3.5
107.08576	46.5
109.06512	4.7
109.10129	28.6
111.08075	5.2
113.09663	5.3
117.07008	16.9
119.08560	27.8
121.06464	4.1
121.10110	28.3
123.08083	4.5
123.11681	10.2
125.09610	3.7
127.30209	2.2
129.06981	10.3
131.08551	30.8
133.10112	21.7
135.08063	5.7
135.11658	18.8
137.09644	3.1
137.13278	2.3
139.11035	2.2
141.07007	2.5
143.08521	11.4
145.10091	24.0
147.08049	2.9
147.11679	10.3
149.09598	4.3
149.13269	13.4
151.11171	4.4
155.08560	5.6
157.10118	11.1
159.11678	16.6
161.13213	10.8
163.11314	2.7
163.14859	5.1
165.12791	4.0
169.10107	6.1
171.11653	9.1
173.13167	11.8
175.11128	3.1
175.14818	6.1
181.10106	4.2
183.11681	6.3
185.13222	6.3
187.14836	7.7
189.16220	2.7
195.11684	4.7
198.05063	2.2
199.14819	4.1
201.16312	4.6
211.14778	3.9
213.16364	3.3
215.17868	2.8
219.39944	2.3
223.14790	2.6
227.12653	4.0
227.17998	2.7
229.14339	3.6
241.19470	2.4
243.21028	6.1
259.20660	2.5
261.22104	13.0
261.53763	2.5
267.15771	3.5
269.17380	19.9
275.20343	2.6
277.21606	6.8
292.12595	2.3
313.27411	4.7
314.27557	2.9
317.24707	4.3
335.25821	28.2
337.27658	2.9
339.26538	2.8
351.25085	6.7
419.32568	2.4
423.07404	2.6
424.94138	2.5
425.34445	2.5
437.33994	9.7
455.34973	4.1
473.35962	3.2
491.36993	2.4
499.37650	3.1
511.37601	4.2
515.37109	12.0
517.38745	10.0
519.41693	3.5
520.40875	3.8
527.37421	6.1
529.38800	90.9
529.46863	5.2
530.39264	5.7
537.42676	4.0
545.38080	2.5
547.39514	2.4
555.43909	3.3
580.13898	2.6
593.45544	2.7
611.46576	29.6
629.47552	18.4
682.43274	8.6
683.44122	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	682.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.1
56.05006	0.1
61.25038	0.0
67.05474	0.1
70.06590	0.3
70.92648	0.1
70.92989	0.1
71.07335	0.1
75.57939	0.1
77.06084	0.0
79.05466	0.2
81.07042	0.1
91.05447	0.8
93.07019	0.1
95.08594	0.1
103.05443	0.2
104.06216	0.2
105.07008	2.4
109.02857	0.1
116.06219	0.1
117.03365	0.1
117.06973	0.2
118.06535	0.2
120.08081	0.9
120.08880	0.1
122.06016	0.1
130.06419	0.1
131.07231	0.1
132.08061	0.7
133.08842	7.3
134.09280	0.1
136.06146	0.1
144.08040	0.1
145.02827	0.1
145.06422	0.1
146.09596	0.2
147.04404	0.1
147.10320	0.1
148.11174	100.0
149.11540	1.3
150.05434	0.3
151.06250	0.2
165.10194	0.1
171.10387	0.6
172.11177	0.4
172.46803	0.1
173.05940	0.5
177.05463	0.2
190.05930	0.1
190.08583	0.7
202.08562	0.5
215.11763	0.2
219.11230	0.3
230.15335	0.1
261.19571	6.9
262.19931	0.1
289.19046	9.5
290.19354	0.2
292.19028	0.3
349.15424	0.2
349.88101	0.1
366.18079	0.9
394.17520	2.1
398.38757	0.1
507.25851	0.1
552.02435	0.1
682.35901	3.9
683.36298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94756	0.1
56.05010	0.1
62.26886	0.1
65.03931	0.1
67.05486	0.1
67.13979	0.1
70.06564	0.2
71.54686	0.1
79.05476	0.2
81.03409	0.1
81.07021	0.1
91.05450	0.8
93.07066	0.1
103.05434	0.2
104.06212	0.2
105.07013	2.3
109.10150	0.1
110.85844	0.1
116.06200	0.1
117.07002	0.1
118.06519	0.1
120.08097	0.6
130.06473	0.2
131.04868	0.1
131.07239	0.1
132.08070	0.7
133.08849	6.7
134.09180	0.2
144.08020	0.2
146.09579	0.2
147.04323	0.1
147.10382	0.1
148.11180	100.0
149.11533	1.9
162.09067	0.1
164.07100	0.1
165.07872	0.3
166.08580	0.2
170.09557	0.1
171.10408	0.8
172.07550	0.2
172.11253	0.2
175.07556	0.2
192.10292	0.1
204.10173	1.7
215.11652	0.1
216.10135	0.8
233.12810	0.7
244.33496	0.1
247.18022	6.0
248.18347	0.2
275.17487	10.0
276.17807	0.3
306.15018	0.1
311.75491	0.1
351.16727	0.1
380.19580	1.0
408.19116	3.0
409.19513	0.2
414.62048	0.1
507.25690	0.1
637.30481	0.1
682.35815	3.8
683.35968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69237	0.5
55.05492	2.3
57.07061	0.6
67.05497	0.8
69.03403	2.0
69.07051	1.7
70.06569	0.7
71.04981	1.1
72.08125	1.6
73.02912	0.6
74.19347	0.5
75.71262	0.5
79.05483	0.9
81.03389	2.2
81.07037	2.6
81.14748	0.5
83.04964	1.1
83.08601	0.7
84.08098	0.7
85.02902	3.0
86.09686	2.1
91.04985	0.6
91.05427	3.1
93.07021	2.0
95.04959	1.7
95.08581	1.7
96.04465	0.6
96.08153	0.6
97.02872	1.7
97.06545	0.6
98.20677	1.8
98.33261	0.6
100.11262	3.9
105.07021	4.1
107.04912	0.7
107.08548	1.4
109.02861	1.2
109.06497	1.1
109.10111	0.7
111.04404	1.3
114.09134	0.6
114.12796	10.3
115.13139	2.2
117.03354	2.5
118.06590	0.7
119.08549	1.6
121.10127	1.7
122.05992	1.2
123.08081	0.7
123.11707	0.7
124.07575	14.1
127.03894	1.2
132.08057	0.9
132.43559	0.6
133.06526	0.6
133.08862	7.7
133.10028	1.0
134.05997	0.7
134.09221	1.3
135.07965	0.8
135.11731	0.8
137.05945	5.7
143.08578	0.9
145.02817	5.8
145.06479	0.9
145.10069	0.7
146.03081	0.7
146.05984	2.9
147.04362	2.2
148.11186	100.0
149.06020	1.3
149.11548	29.3
150.34003	0.6
151.07515	1.0
152.07024	1.4
161.06021	1.4
163.03867	1.8
163.07535	0.7
163.11247	0.6
167.07100	0.7
172.03888	2.7
173.05978	1.1
174.05455	3.1
175.07545	1.6
175.14780	1.0
176.07086	2.0
177.05457	10.4
178.05814	1.6
182.15413	1.6
183.15677	0.7
184.07336	0.6
185.13237	0.7
189.12666	0.7
190.04817	0.8
191.05756	1.1
194.08141	0.7
204.06531	6.4
204.10143	3.0
205.08589	1.3
205.10393	1.2
206.08156	1.4
207.06529	1.3
209.16501	1.2
210.14841	1.5
210.16742	0.9
211.08546	0.7
216.10146	0.7
225.10205	1.1
233.12801	1.1
234.11089	0.9
234.13213	0.7
235.12080	0.7
236.09355	1.1
237.10146	2.5
243.11298	4.4
249.10185	2.1
250.11024	1.5
251.08102	0.7
251.11758	5.2
252.12556	0.9
253.09695	2.1
253.13495	0.7
261.19543	0.7
263.11725	1.1
265.09680	6.6
266.10385	1.0
267.11224	2.2
269.12839	2.3
278.10504	2.7
279.07797	1.6
279.11246	7.0
280.11960	2.3
281.12582	0.9
283.10660	1.7
284.11789	0.8
285.12357	4.1
287.10303	0.9
289.19000	4.0
290.19501	2.3
293.09113	2.5
293.12820	3.1
294.09766	1.1
295.10825	1.5
295.14206	1.1
296.11462	0.8
297.12296	8.4
299.10260	1.1
303.13364	14.6
303.16681	1.1
307.10751	1.6
309.12262	3.6
311.06354	0.6
311.10150	1.9
311.13644	1.0
312.10950	2.5
315.13345	2.1
323.10184	1.0
323.13684	0.9
324.11118	1.3
325.11798	8.1
327.10168	0.6
327.13348	17.3
329.14948	3.3
335.10223	2.6
337.11768	2.1
339.13358	38.1
340.14066	2.3
346.15497	0.8
346.21149	1.6
347.16217	1.2
353.11163	4.5
357.14334	1.8
360.17270	1.1
367.12836	32.4
368.13632	5.9
371.12680	0.8
372.13177	0.9
374.15436	1.1
374.20532	1.3
375.20804	0.7
385.14005	4.7
386.14902	1.9
387.15897	1.6
388.16394	1.6
391.39175	0.7
392.21844	4.0
393.22128	3.4
399.15466	9.2
402.14767	0.6
405.16885	0.8
406.17426	1.8
414.14398	2.3
415.15158	4.4
416.15851	4.3
430.17627	0.9
432.15588	0.9
433.16327	1.1
446.16992	1.7
456.15582	1.0
457.16321	0.7
464.21271	1.4
474.16516	4.0
475.17084	1.7
492.21280	32.6
510.22229	3.9
524.23859	55.9
525.24158	1.2
581.23004	0.8
599.24921	25.4
631.26929	3.3
635.39447	1.8
662.38806	1.8
663.39337	11.6
680.51440	1.7
681.39301	2.2
681.51013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
57.51611	0.7
67.05500	1.2
69.03413	2.2
69.07049	2.2
69.97086	1.6
69.97499	2.8
72.08146	0.7
79.05482	1.3
81.03413	2.0
81.07016	2.0
84.08136	0.6
85.02892	2.4
86.09682	1.5
91.05453	1.6
93.07026	2.1
94.06546	2.0
95.04941	1.3
95.08602	2.0
97.02882	1.6
97.06518	1.5
100.11314	0.8
103.05513	1.0
105.07030	1.8
106.06537	3.7
107.08614	1.6
107.42810	0.7
109.02875	2.4
109.10132	1.2
110.06013	1.0
111.04411	0.7
114.09150	0.9
115.05460	0.8
117.06947	0.7
119.04944	0.7
119.08549	1.3
119.95162	0.6
120.08065	0.9
121.06488	1.1
121.10123	1.7
122.06019	6.2
123.07996	0.6
125.09515	1.0
127.03889	2.4
129.06982	0.9
130.08658	1.1
131.08606	0.7
131.33214	0.8
133.02853	0.6
133.06482	0.8
133.10092	1.1
135.04407	1.0
135.84592	0.6
137.05945	4.2
139.11247	0.7
140.07039	8.0
143.10587	0.7
144.34589	0.7
145.02814	1.9
145.06393	0.7
145.10010	0.8
146.05991	3.5
147.04410	1.2
147.11703	0.8
148.07570	3.0
149.05943	1.5
151.03885	1.2
152.07037	1.4
161.05980	1.0
163.03926	3.4
163.07629	1.2
164.06978	0.9
166.08640	1.4
167.07050	1.3
167.14360	0.8
172.03937	2.7
174.05513	4.3
175.07498	1.1
176.07022	1.9
177.05499	4.9
180.10165	20.0
188.07123	1.1
189.08954	0.6
190.04935	0.6
191.05695	0.7
204.06586	4.1
206.08101	1.0
207.06525	0.8
210.11549	2.0
211.08820	0.8
211.12265	1.6
220.09872	1.2
222.11472	1.3
223.12326	2.4
224.13004	0.9
225.10155	1.1
225.13925	0.8
227.11687	1.0
234.11270	0.7
235.08514	1.1
235.12312	2.9
236.09462	0.9
236.13091	1.1
237.10217	8.1
237.13811	1.6
238.10880	3.7
239.11723	7.1
248.09459	5.0
249.10158	10.1
250.10956	4.5
251.11765	19.1
252.12541	3.0
253.13434	1.6
261.12512	1.0
262.11078	1.5
263.11752	38.3
264.09128	1.0
264.09564	1.1
264.12537	6.4
265.09799	11.3
265.13306	73.9
266.10410	1.4
266.13962	3.3
267.11359	2.9
277.09735	3.3
277.13046	1.0
278.10480	2.5
279.11234	43.9
280.11774	2.3
281.12811	1.6
283.14310	1.3
285.12338	1.5
285.15695	1.2
287.13815	1.7
291.11234	12.3
292.11978	3.5
293.12863	11.4
295.10730	2.4
295.14148	1.0
296.15036	1.0
297.12317	7.9
297.15710	1.2
307.14557	0.9
309.12268	6.0
310.13037	2.1
311.13852	13.9
312.14590	2.7
313.11829	1.9
314.12460	0.8
319.10678	8.0
319.16537	1.0
320.11615	0.9
321.12234	4.7
323.13849	70.2
324.14621	37.3
325.15408	41.4
326.16052	4.8
327.16953	2.7
330.16040	0.8
331.13071	1.2
337.17590	2.6
338.12476	1.3
339.13132	1.9
345.14136	0.8
351.13345	70.9
352.14099	26.6
353.14874	21.0
356.13440	0.8
369.14459	1.8
370.15204	0.8
374.14716	1.1
383.15964	54.5
384.16882	8.8
385.12805	1.1
385.17612	12.6
398.14859	1.4
399.15836	1.9
400.16531	2.4
402.31195	0.7
404.19717	0.9
416.16296	1.3
431.18484	1.2
446.20749	0.9
448.18555	1.6
464.21768	26.2
465.21814	1.0
466.23340	36.4
467.23581	1.4
472.18573	3.6
473.19479	1.3
490.19879	4.5
491.20630	0.8
492.21237	50.1
493.21381	2.3
508.20746	4.6
510.22342	18.4
524.23859	100.0
525.24054	4.0
540.19818	0.9
589.26318	2.2
613.26672	7.2
621.28998	1.8
631.27570	5.8
649.28613	23.7
650.29120	1.2
680.50800	0.7
681.31250	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	681.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05493	1.4
57.15065	0.9
67.05488	2.0
68.05044	1.5
69.03426	1.5
69.07050	1.4
70.06591	2.2
71.04978	1.1
71.51248	1.4
72.08130	1.2
74.10075	0.9
76.81542	1.2
79.05490	1.9
81.03387	1.8
81.07037	2.7
83.04995	0.9
83.08599	2.1
85.02888	3.9
85.37189	1.0
86.09696	2.6
91.05486	1.8
93.07014	1.4
94.06525	1.1
95.04942	1.6
95.08602	1.6
100.11243	5.9
101.11575	1.0
105.07010	4.3
107.08581	1.4
109.02885	1.9
109.10152	1.1
110.05988	1.2
111.04394	1.1
111.08067	0.9
114.12775	8.0
115.13139	1.1
117.03401	1.3
117.06963	1.1
119.04908	1.2
119.08549	1.8
120.08090	1.5
121.06512	1.2
121.10117	1.0
122.06039	2.0
124.07570	17.2
127.03907	2.0
133.08856	5.9
133.10085	1.7
134.09184	1.4
137.05977	5.6
140.10661	1.5
144.08058	1.1
145.02840	5.5
146.05991	4.1
147.04385	3.3
147.11713	1.3
148.11185	100.0
149.11554	28.9
152.07054	1.9
159.11702	1.2
163.03905	1.8
166.08707	1.1
172.03897	4.7
173.02234	1.1
173.04695	1.4
174.05466	6.3
175.07544	1.8
176.07069	3.6
177.05447	9.3
182.15459	2.6
191.05745	2.3
192.06450	1.3
198.09215	1.1
198.87271	1.0
204.06549	11.2
204.10138	4.8
205.10536	1.6
206.08052	2.2
207.06534	1.2
209.16478	1.3
210.14832	1.9
211.15181	1.4
212.09457	1.4
213.10278	1.3
215.11865	1.5
216.10143	1.7
223.12305	1.6
225.10231	2.3
226.10857	1.2
233.12709	1.8
235.08713	1.3
236.09410	1.8
237.10223	5.0
238.11043	1.2
239.11694	1.1
241.09608	1.0
243.11282	8.1
249.10080	4.5
250.10919	3.1
251.08075	1.2
251.11794	10.7
253.09729	3.5
254.10583	1.0
261.19797	1.8
262.19922	1.1
263.11703	1.3
265.09705	12.3
267.11331	3.7
269.09003	1.0
269.12833	4.6
271.10486	1.2
278.10446	4.2
279.07944	1.8
279.11252	14.4
280.12006	3.6
281.12711	1.4
283.10721	3.4
285.12387	8.7
287.10248	1.4
289.19064	2.9
290.19321	2.7
293.09244	2.9
293.12778	5.3
294.09927	1.8
295.10727	3.4
295.14224	1.9
297.12299	12.4
299.10287	1.5
303.13376	27.1
306.09882	1.5
307.10840	1.9
309.12256	3.9
311.10120	2.8
311.13705	1.7
312.10974	4.9
315.13364	3.6
316.10864	1.2
323.10300	1.7
323.13730	1.1
324.11032	3.1
325.11752	13.3
327.13358	33.5
328.13782	1.0
329.15073	5.5
335.10043	4.7
336.10983	1.9
337.11810	3.5
339.13373	72.7
340.14041	3.5
344.14011	1.2
346.15524	1.7
346.21008	1.3
347.16162	2.4
348.19855	1.9
353.11176	8.1
354.12067	1.0
357.14569	1.9
360.17181	1.5
367.12848	57.2
368.13611	8.6
371.12399	1.8
372.13449	1.6
373.13885	1.2
374.14853	1.9
374.20947	1.1
375.20941	1.8
384.13303	2.2
385.14020	8.1
386.15048	3.1
387.15555	3.8
388.16504	1.7
392.21738	4.1
393.21939	3.4
399.15469	14.7
401.13358	1.2
402.18335	1.1
404.16122	2.6
406.17395	3.2
414.14526	2.3
415.15268	6.2
416.15933	9.4
419.18210	1.4
428.16119	1.4
430.17841	1.7
433.16071	2.8
434.17249	2.0
446.16916	2.0
447.17877	1.4
453.34662	1.0
456.15436	1.5
464.21579	2.1
474.16376	7.4
475.17444	4.4
492.21240	58.1
493.21530	1.2
506.18750	1.7
510.22308	6.7
521.32275	1.1
524.23865	91.5
525.23987	2.6
557.23486	1.6
581.23334	1.4
599.24945	47.5
631.27655	4.7
663.39227	10.6
680.51025	4.0
681.01154	1.5
681.40155	2.3
681.51471	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	681.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01857	0.5
55.05498	0.5
67.05482	0.9
68.05015	0.5
69.03397	1.0
69.07039	1.1
70.06564	1.8
71.79402	0.4
71.79778	0.5
79.05471	1.1
80.04990	0.6
81.03378	0.7
83.04954	0.6
84.04456	0.4
84.08111	0.5
85.02885	0.8
86.09674	0.5
91.05450	1.1
94.06570	3.6
95.04979	1.0
96.08076	0.6
97.02876	1.0
97.06512	1.1
108.04453	0.9
108.08064	0.6
109.02866	0.8
110.06034	1.8
112.07562	0.5
114.09156	7.5
115.09476	1.8
116.04968	0.8
117.03322	0.4
118.06517	0.5
119.04926	0.8
121.02860	0.7
121.06490	0.5
122.06019	12.3
123.04443	0.5
124.07576	0.6
127.03850	1.0
130.08601	0.8
133.02823	1.8
133.10086	0.4
134.06041	0.4
136.07544	0.9
137.05986	2.4
140.07054	13.0
143.08450	0.4
144.04424	1.7
145.02806	1.1
146.05995	6.1
146.07953	0.5
146.31992	0.4
147.04381	1.7
148.07527	0.6
149.05942	0.9
149.07086	0.9
150.05470	1.7
152.07115	2.4
158.09572	0.8
160.07578	1.2
162.05484	1.4
163.03883	1.1
164.07085	0.6
167.06993	0.5
170.09561	0.9
172.03909	11.0
173.04596	0.6
174.05470	4.6
174.09145	0.7
175.03880	1.0
175.08714	0.6
176.04268	0.5
177.05432	1.2
184.07671	0.5
186.09155	5.1
187.08685	1.3
188.07117	0.6
188.09421	0.8
190.04924	0.9
191.05725	1.0
192.06631	1.0
196.07600	0.6
198.09167	0.8
200.07034	0.6
200.10710	1.2
201.10176	0.5
202.08717	0.7
202.10999	2.7
203.11804	6.2
204.06546	20.9
206.08090	7.1
210.09215	0.5
213.10201	2.1
214.08615	9.2
215.08139	5.9
216.08881	0.5
217.09714	1.3
227.11781	0.9
228.10216	3.6
229.09659	2.8
230.10458	1.6
231.11285	5.8
240.08968	0.6
241.09697	3.2
242.08179	1.9
243.11298	1.4
244.12006	0.5
245.09215	2.2
245.12805	0.6
247.10764	1.1
255.11244	5.7
256.09692	3.1
257.09125	0.8
257.12823	1.7
258.10022	0.7
259.10760	77.3
260.11172	2.4
271.10675	2.2
273.12320	6.4
279.11108	0.5
283.10809	3.8
285.12241	0.8
287.10205	1.7
301.11798	63.8
302.12183	2.6
305.11459	0.4
313.11780	8.0
319.12854	100.0
320.13129	4.2
325.10901	0.9
326.11005	1.6
331.12802	2.9
335.12350	1.4
337.13907	31.3
338.14362	1.3
345.14429	8.0
363.15628	1.0
373.12741	1.0
428.15829	0.4
446.61093	0.5
490.15991	0.7
505.18466	1.3
508.17148	0.8
523.19354	0.8
524.20062	0.8
598.37781	0.4
631.24060	0.5
645.25421	0.9
663.26538	4.3
681.33777	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01864	5.3
55.05259	2.2
55.05502	23.9
57.03424	5.9
57.07056	5.3
65.03924	3.7
65.13151	1.3
67.05494	63.3
69.03409	2.5
69.07060	20.5
69.40473	1.2
71.04989	4.5
71.08234	2.9
71.08621	45.6
71.40051	3.4
77.03959	1.3
79.05482	55.6
81.03411	6.5
81.07043	76.8
82.07388	2.3
83.04967	11.8
83.08621	14.8
85.06529	4.5
91.05466	40.9
93.07034	76.4
95.04963	12.5
95.08595	46.2
97.06517	11.8
97.10164	5.4
99.08084	26.7
103.05516	1.4
105.07010	30.9
107.04949	5.7
107.08576	43.3
107.67576	1.4
109.06509	4.3
109.10138	18.3
111.08064	6.0
113.09661	5.4
115.74516	1.4
117.07008	11.4
119.08557	22.6
121.06498	3.5
121.10127	27.4
123.08069	4.1
123.11716	4.1
125.09620	4.2
125.96642	1.3
129.06995	5.4
131.08553	11.9
133.10121	19.6
135.08006	2.1
135.11659	29.0
137.09593	4.1
141.09111	2.6
143.08556	5.1
145.10124	8.5
147.11655	10.6
149.09584	2.8
149.13229	14.5
151.11154	24.5
153.09024	1.5
153.12709	1.6
157.10106	6.0
159.11700	6.4
161.13235	13.7
163.11157	11.0
163.14784	2.9
165.12749	2.9
167.10689	1.7
169.10147	1.7
171.11670	3.9
173.11844	2.2
173.13284	4.0
175.14804	4.5
177.12727	4.5
179.14284	77.7
185.13260	1.9
187.14792	1.8
189.12737	3.5
195.13803	4.1
203.14420	1.7
221.15396	3.0
227.12769	3.4
235.16983	2.3
241.19437	3.2
243.21127	1.4
259.20416	6.8
269.17441	22.8
275.19885	1.8
277.21588	69.5
278.21942	1.8
279.15994	1.4
293.21039	12.6
295.22842	6.7
314.27707	1.5
333.24362	2.5
335.25720	5.1
351.25284	50.7
367.24765	5.3
449.32913	1.5
508.70547	1.3
527.37006	4.4
529.38672	2.5
531.37079	1.7
545.38312	100.0
546.38470	3.8
609.45056	2.8
627.46173	44.5
628.46136	1.6
645.47717	2.7
681.42450	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	681.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
55.05481	0.7
61.02907	0.4
62.74878	0.3
67.05485	1.1
69.03406	1.0
69.07036	0.9
69.56730	0.7
69.57141	2.8
70.06555	0.9
71.04982	0.9
79.05458	0.5
80.04987	0.4
81.03432	1.7
84.04491	0.4
84.08122	0.7
85.02881	1.6
91.05446	0.9
93.07009	0.5
94.06582	1.8
95.04937	0.7
96.08125	0.6
97.02881	0.8
97.06488	1.0
99.04430	1.0
105.06995	0.6
106.02895	0.7
107.04957	0.4
108.04374	0.6
109.02837	1.0
110.06026	1.8
111.04424	0.5
112.07610	0.4
113.83044	0.3
114.09159	6.2
115.09484	1.6
116.05002	0.5
117.03357	0.7
118.06549	0.4
119.04908	0.6
121.02854	1.3
121.06493	0.5
121.10007	0.4
122.06015	7.8
124.03891	1.1
124.07570	0.9
127.03870	0.9
130.08598	1.4
131.04919	0.6
135.04385	0.7
136.07541	0.5
137.05951	3.0
138.05431	0.5
138.06361	0.5
140.07051	7.0
144.04474	0.9
145.02815	1.0
146.06010	4.0
146.09641	0.4
147.04408	2.4
149.07022	0.8
150.05519	2.2
152.07045	1.4
159.05547	0.7
160.07564	1.1
160.09729	0.6
161.05916	0.5
162.05440	0.9
162.09038	0.5
163.03912	2.8
164.07010	0.7
167.07043	0.9
170.09702	0.5
171.07953	0.4
172.03928	7.8
172.07539	0.5
172.58183	0.4
174.05508	2.3
174.11313	0.5
175.08675	1.1
176.07033	0.5
177.05447	1.2
177.06767	0.5
177.09036	0.4
181.04793	0.5
181.08545	0.5
183.13799	0.5
184.07588	0.4
186.09120	5.2
187.07314	0.5
187.08813	0.8
188.09370	0.9
191.08426	0.5
192.06445	0.5
196.07585	0.6
198.09212	0.9
200.07118	0.5
200.10716	1.5
201.10222	0.6
202.08815	0.5
202.11002	2.4
203.08157	0.4
203.11800	5.7
204.06555	11.0
206.08107	4.5
208.09633	0.8
210.09155	0.4
213.10339	1.8
214.08606	10.0
215.08159	5.3
215.11446	0.4
216.08658	0.4
217.09737	1.0
217.13382	0.4
219.08160	0.4
227.08134	0.7
227.11742	1.3
227.16306	1.8
228.10222	3.7
229.09796	1.5
230.10414	0.9
231.11266	6.8
240.08954	0.4
241.09724	1.7
242.08127	2.3
243.11189	0.7
245.09212	1.4
245.12830	0.8
247.10809	1.2
255.11243	4.6
256.09637	3.1
257.12845	1.3
259.10760	81.3
260.11154	3.1
268.08212	0.5
268.13214	0.5
271.10513	0.6
273.12320	6.2
279.11392	0.8
283.10760	3.6
285.12274	0.6
287.05426	2.5
287.10349	0.6
301.11804	65.4
302.12250	2.4
303.13489	0.7
313.11789	4.4
319.12854	100.0
320.13229	2.8
323.10165	0.6
331.12955	1.1
335.12366	0.6
337.13901	38.8
338.14307	1.1
345.14478	4.1
351.09531	0.5
355.11963	0.6
361.13882	0.8
363.15527	0.4
369.14502	0.5
373.12866	2.0
471.18488	0.4
474.17221	0.4
492.17657	0.5
508.16989	0.6
524.20251	1.0
540.19580	0.6
613.22687	0.9
631.23895	1.2
649.24353	0.7
663.26440	0.5
681.31769	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	680.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.5
55.10329	1.6
57.07069	53.5
64.10612	1.8
69.56261	17.6
74.09722	2.2
81.07038	4.1
87.72789	1.8
91.05482	6.8
93.07030	2.8
95.08601	3.0
97.25162	1.8
105.06987	3.5
107.08582	2.1
109.10162	2.1
119.08598	2.6
147.11671	8.7
233.03499	3.1
251.04587	13.2
280.46478	1.9
327.07764	99.3
328.08057	3.0
383.13995	59.3
384.14642	2.1
439.20267	100.0
440.20670	3.8
495.26511	91.3
496.26599	2.6
531.40283	2.9
551.32788	39.9
568.32788	2.2
607.39032	83.7
608.39349	5.4
654.32813	3.0
663.45319	71.6
664.45142	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	680.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28646	1.6
53.03934	4.9
55.01860	6.2
55.05229	1.8
55.05503	36.6
57.03433	10.7
57.07071	8.0
59.04986	1.8
63.50833	1.6
65.03920	4.9
67.05492	99.5
68.49371	1.8
69.03419	4.8
69.07056	37.8
69.55804	13.5
69.56222	4.0
70.48020	1.6
71.04967	6.0
71.08619	3.9
79.05481	64.9
81.03384	4.6
81.07042	100.0
83.04958	7.9
83.08614	19.0
85.06538	4.6
85.10179	2.9
90.54195	1.6
91.05467	61.6
93.07032	86.4
95.04965	12.7
95.08591	55.8
97.06513	10.1
97.10163	10.3
98.20614	1.7
99.08072	4.2
103.05409	2.0
105.04503	2.4
105.07014	50.9
107.04921	2.9
107.08575	49.5
109.06484	7.4
109.10149	27.1
109.71461	1.6
111.08036	6.0
113.09609	2.0
116.06231	1.5
117.06990	21.2
119.08556	39.7
121.06473	4.0
121.09344	3.0
121.10123	28.8
123.08052	6.5
123.11671	7.5
125.09599	2.8
128.06178	2.2
129.07002	12.5
131.08548	36.1
131.35233	1.9
133.10109	29.9
134.10522	1.9
135.08000	4.4
135.11662	22.9
137.09590	5.5
137.13295	3.3
139.11136	3.1
141.06970	3.4
143.08543	12.2
145.10092	27.7
147.11641	19.8
149.09578	6.9
149.13248	16.0
151.11171	4.0
155.08543	6.3
157.10080	12.1
159.11664	18.7
161.09604	2.1
161.13202	10.9
163.11148	3.6
163.14772	6.4
165.12637	1.7
168.09395	2.1
169.10110	8.7
171.11661	11.5
173.11905	3.4
173.13254	12.0
175.11084	2.4
175.14830	6.2
177.12778	2.1
177.16306	3.0
179.08501	1.7
179.14362	1.7
181.10173	4.5
181.12151	2.3
183.11665	6.4
184.67645	1.8
185.13185	8.4
187.14806	6.2
189.16272	3.1
195.11714	5.5
195.13718	2.6
197.13240	4.3
199.14830	6.8
201.16406	4.7
205.15778	2.4
209.13353	2.1
210.13789	1.9
211.14737	2.9
213.16342	5.1
223.14900	2.5
225.16336	2.7
227.12680	2.9
229.14304	6.9
237.16515	1.8
239.17920	2.9
241.19482	2.9
243.21027	9.2
253.14333	2.9
255.15739	10.0
255.21103	1.8
257.19110	3.2
259.20490	6.8
261.22086	15.5
267.15826	4.5
269.17337	10.9
275.20038	14.2
277.21536	3.6
285.22009	1.9
315.23203	2.2
317.24634	4.6
333.24197	3.8
335.25778	38.4
341.24863	2.1
349.23697	9.2
367.24829	2.5
407.32755	2.6
408.73486	1.8
419.32898	3.2
423.32965	2.5
425.34360	1.9
437.33969	4.5
453.33469	2.7
473.35870	3.2
489.36032	3.5
499.37741	2.7
504.68317	1.8
511.37570	3.0
513.35828	4.1
515.37201	26.0
517.39325	6.4
527.37347	13.5
529.38782	43.9
535.41559	4.5
547.39313	2.7
553.42529	2.4
559.56812	1.9
590.74194	2.2
609.45050	25.2
627.46387	19.0
681.42438	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	680.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05019	0.1
57.07062	0.1
67.05472	0.2
68.05018	0.4
69.03390	0.2
69.05808	0.3
69.07056	0.3
70.06578	0.3
71.04978	0.1
71.08916	0.2
72.08119	0.1
73.02902	0.1
79.05485	0.3
81.03388	0.3
81.07048	0.2
83.04984	0.1
83.08595	0.1
84.08125	0.1
85.02890	0.2
85.06525	0.1
86.09171	0.1
86.09697	1.3
89.03910	0.1
91.05463	0.8
93.07038	0.2
94.06578	0.1
95.04948	0.1
95.08600	0.2
97.02876	0.2
98.09698	0.1
100.11260	0.2
103.05440	0.2
104.06215	0.2
105.07021	2.2
107.08578	0.2
109.02856	0.2
109.06461	0.1
109.10127	0.2
113.07128	0.1
114.09165	0.2
114.12795	1.8
115.05418	0.1
116.06242	0.1
117.03372	0.1
117.07006	0.2
118.06535	0.1
119.08585	0.3
120.08141	0.1
121.06506	0.1
121.10129	0.1
122.09670	0.2
127.03914	0.2
128.10686	0.2
129.06946	0.1
130.06497	0.1
130.08624	0.2
131.04913	0.2
131.08553	0.1
132.08078	0.7
133.08861	6.4
134.09526	0.2
135.04445	0.1
136.07579	0.2
136.11212	0.1
137.05951	0.8
137.11996	0.3
138.12778	0.2
143.10686	0.2
144.08064	0.4
145.02881	0.4
145.06496	0.2
146.06032	0.1
146.08171	0.1
146.09627	0.3
147.04405	0.2
147.08041	0.1
147.10516	0.1
147.11690	0.1
148.11194	100.0
149.05956	0.1
149.11552	2.3
150.05377	0.1
151.07495	0.1
156.10182	0.1
159.08066	0.1
161.05995	0.2
162.09102	0.2
163.03909	0.2
163.07516	0.2
164.06992	0.2
165.05562	0.1
165.07927	0.4
166.08638	0.3
167.07085	0.1
172.07565	0.3
173.06026	0.4
175.07533	0.6
175.14812	0.1
177.05458	0.7
177.09091	0.1
178.05852	0.1
180.10155	0.2
181.13361	0.1
185.08266	0.1
187.07515	0.2
188.07112	0.1
189.09065	0.1
189.12825	0.1
191.09419	0.1
199.07524	0.2
201.07681	0.1
204.10178	3.4
205.08638	0.7
205.10397	0.2
207.06645	0.1
208.09685	0.1
209.12863	0.1
210.14868	0.1
211.15063	0.1
216.10149	1.0
217.08627	0.2
231.18562	0.1
233.12856	1.7
234.11130	0.4
243.11302	0.1
247.14508	0.1
255.20667	0.1
259.18124	0.1
261.19623	1.9
265.08615	0.2
275.95444	0.1
279.11111	0.1
285.11444	0.1
287.17477	0.2
289.19080	5.0
290.19278	0.2
295.18152	0.1
297.11111	0.1
309.11743	0.1
323.13126	0.1
341.13965	0.1
346.21228	2.4
347.19495	0.7
360.22623	0.1
365.14203	0.1
374.20706	2.8
375.19565	0.3
384.22864	0.3
388.22293	0.2
392.21771	2.6
393.22101	0.1
402.20132	0.1
464.16183	0.1
471.18228	0.1
487.29031	0.2
497.31366	0.6
521.31055	0.1
549.30322	0.2
630.26031	0.1
634.39569	1.6
635.39392	0.1
662.39056	9.0
663.39069	0.8
680.39801	0.5
680.50970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90601	0.3
55.01867	0.6
55.05501	1.7
57.03420	0.4
57.63579	0.4
59.19223	0.3
61.02920	0.5
67.05492	0.8
69.03403	0.6
69.07068	2.4
70.06590	0.4
71.04984	0.8
73.02309	0.4
79.05447	0.4
81.03409	1.5
81.07035	0.6
83.04948	0.5
83.08627	1.1
85.02896	1.3
85.06526	0.4
85.64113	0.4
89.03896	0.9
91.05476	1.5
93.05802	0.4
93.06986	0.5
94.06555	1.8
95.04945	1.0
95.08617	0.5
97.06522	0.5
98.01260	0.4
98.21441	1.0
99.04395	0.5
100.11236	6.1
105.06995	1.1
107.08600	0.6
108.08118	0.5
109.02835	1.0
110.06033	0.4
111.04455	0.9
112.07619	0.6
114.12788	0.4
117.03368	2.2
117.05749	0.4
119.04970	0.4
119.08592	0.8
120.04477	0.5
121.05324	0.4
121.10135	0.5
122.03659	0.7
122.06008	7.2
124.07612	0.4
125.76424	0.4
127.03954	0.5
130.08646	0.6
130.58510	0.4
131.08589	0.4
133.06448	0.6
133.08907	0.5
133.10127	0.6
134.05959	0.9
135.04402	0.8
135.11649	0.5
137.05957	5.6
140.07045	9.6
144.04399	0.6
145.02821	5.9
146.05997	3.8
147.04381	2.1
147.06831	0.4
148.07584	1.1
148.11191	2.8
149.05991	0.7
161.05969	0.9
162.05472	1.2
162.06715	0.4
163.03889	0.8
172.03908	6.2
173.04660	0.6
174.05499	6.3
175.07562	1.7
176.07063	5.6
177.04019	0.5
177.05444	14.7
182.15384	2.0
184.07515	0.8
187.07529	0.5
190.05023	1.5
191.05795	0.6
191.08501	0.5
197.07056	0.8
197.10728	0.6
199.08836	0.5
203.08556	0.6
204.06525	7.7
206.08096	2.1
207.06453	0.9
209.16502	1.6
210.14925	1.8
211.08693	1.6
213.10249	2.7
214.10928	0.5
215.11845	1.1
219.08127	0.6
223.08635	0.8
224.09413	0.6
225.10254	1.8
226.10883	0.7
226.19188	0.5
227.08221	0.6
237.10194	1.5
239.08339	0.5
239.11731	1.0
241.09676	2.0
243.11267	4.6
249.10310	1.2
250.11166	0.6
251.11571	0.6
253.09682	1.4
255.11154	0.9
261.12375	0.5
263.08093	1.0
263.11627	0.6
264.09061	0.7
265.09692	2.2
266.10559	1.1
267.11255	1.2
269.09259	2.7
269.12567	0.7
271.10812	0.9
277.09628	1.1
279.11063	1.3
280.12308	0.5
281.09375	0.6
283.10696	1.1
285.12268	2.0
287.10269	0.8
287.13934	1.1
288.11414	0.6
288.14508	0.5
290.12967	0.5
291.10428	0.6
297.12317	3.4
298.13171	0.7
299.13815	0.4
301.11774	6.7
301.14911	0.5
302.12894	1.1
303.13824	0.7
305.09464	0.5
311.13196	1.2
312.14725	0.6
313.11804	6.4
313.15228	0.7
314.12885	1.1
315.13666	0.9
316.10895	1.0
316.14468	2.1
317.14944	10.7
318.15854	2.1
319.16873	1.3
321.09775	0.5
323.13464	0.6
325.11765	0.7
326.12869	0.5
327.13541	1.7
328.14581	1.0
329.11960	0.5
330.12448	1.4
330.16098	0.9
331.13077	3.4
331.16498	0.7
332.14120	0.9
332.17743	0.9
337.11768	1.1
339.10373	0.5
339.13818	0.7
340.14346	0.8
341.11981	0.7
342.12415	0.8
342.16251	0.6
343.12946	2.3
344.14020	2.1
345.14474	6.8
346.15350	3.7
347.16217	2.4
348.17264	0.5
354.12265	0.9
356.14053	1.4
358.11874	1.6
358.15652	2.1
360.17096	3.9
367.13226	0.4
368.14035	1.0
370.11432	1.9
370.15796	0.6
371.12436	2.7
372.13287	6.9
372.17157	0.8
373.14111	2.8
374.14859	4.7
374.18979	0.6
384.12927	0.7
384.17349	0.5
385.14322	1.4
386.14941	8.4
387.15683	8.4
388.16452	6.5
390.18207	0.8
392.19608	0.8
396.13336	1.2
398.15137	0.6
400.12640	1.2
400.16876	1.2
401.13300	0.9
402.13638	2.0
402.18854	0.7
410.14877	0.8
414.14340	7.0
415.15173	15.5
416.15884	25.6
417.16632	1.6
418.17480	2.9
419.18497	1.8
420.19141	4.6
421.19965	0.5
422.21069	0.7
428.16083	1.6
430.17648	1.4
432.19336	1.7
433.19836	0.8
442.17581	1.1
443.18152	1.1
444.19241	2.2
445.19852	0.8
446.17062	2.2
447.17795	4.5
448.18558	3.5
453.34348	1.5
456.15610	1.2
460.18674	5.8
461.19379	2.1
470.16974	3.5
471.17929	0.8
472.18640	0.8
474.16531	0.6
488.18158	20.8
489.18817	10.4
490.19827	4.9
503.20456	1.5
504.20981	0.5
520.20801	3.7
521.21460	1.7
555.22321	1.0
585.27454	0.8
587.24896	2.8
597.23492	0.8
611.24707	4.3
629.25995	100.0
630.26215	7.0
643.26764	0.8
661.28613	6.7
662.28094	0.6
679.51331	3.0
680.01080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01864	9.2
55.05504	33.4
57.03428	13.3
57.07058	5.5
60.08155	6.5
65.03938	5.2
67.05497	100.0
67.88786	1.7
69.03416	3.8
69.07062	33.2
70.96294	3.1
70.96622	1.4
71.04981	7.7
71.07350	1.8
71.08620	17.2
73.02936	1.5
79.05482	78.1
81.03422	10.8
81.07046	98.5
83.04967	10.7
83.08611	16.2
85.02858	1.8
85.06532	6.3
86.00724	1.5
86.09695	27.5
91.05466	89.8
93.07032	90.5
94.07355	1.9
95.04967	20.5
95.08595	65.1
96.08949	1.7
97.06522	23.2
97.10146	7.8
98.98459	4.0
99.04418	2.7
99.08080	13.5
103.05468	2.2
104.10732	2.2
105.07018	68.8
106.07348	1.7
107.04919	11.2
107.08577	62.4
108.08959	1.7
109.02901	1.6
109.06499	11.8
109.10149	52.3
111.04413	1.6
111.08076	7.1
113.09645	2.6
115.07572	6.3
117.07010	26.0
119.08562	40.4
121.06509	7.1
121.10130	32.6
123.08094	7.8
123.11668	11.6
124.99972	15.9
125.09628	5.8
127.07529	2.2
128.06201	3.6
129.06981	8.0
131.08551	29.1
133.06468	3.4
133.10114	66.5
134.10451	1.4
135.08057	7.7
135.11679	28.0
137.09583	6.5
137.13167	2.8
143.08563	10.2
145.10095	22.8
147.08032	3.2
147.11668	23.1
149.09605	7.5
149.13225	12.9
151.11176	25.8
151.14807	2.0
155.08533	3.0
157.10121	7.6
159.11673	16.4
161.09596	7.4
161.13252	15.1
163.11191	6.3
163.14856	5.4
167.10655	2.1
169.10094	3.2
169.12251	3.1
171.11656	9.7
173.09595	1.5
173.11783	2.3
173.13208	12.7
175.11140	3.8
175.14818	6.8
177.09100	1.5
177.12746	3.3
177.16284	2.1
179.14278	24.2
181.11958	2.1
183.11688	5.3
184.07318	98.7
185.13202	7.4
187.14850	5.5
189.12740	2.2
189.16341	2.9
195.13898	2.5
197.13254	2.9
199.14803	4.6
205.12202	1.7
213.12906	1.4
213.16389	2.3
215.18069	1.4
217.15764	2.7
227.17964	1.6
229.14223	3.0
229.19588	2.5
231.20981	2.0
239.17981	2.2
241.19600	7.0
243.20970	8.5
245.18872	1.9
247.20479	3.1
253.14311	51.1
254.14700	2.5
257.18970	3.5
259.20572	16.7
261.19696	1.4
261.22156	10.9
263.20120	3.0
267.15900	2.2
271.15262	3.0
273.18500	11.2
275.20023	19.4
277.21616	16.4
291.19434	12.2
293.21112	32.1
293.24103	2.8
294.21350	2.1
313.27435	4.1
315.23001	3.9
317.24652	3.8
333.24173	25.1
334.24536	2.0
335.25769	32.8
336.26019	2.3
347.22189	2.7
349.23697	4.7
351.25299	10.3
355.29910	1.7
365.23215	15.8
367.24728	23.4
402.22998	1.5
439.32037	2.4
455.31781	2.0
457.33218	2.2
467.37152	2.0
513.35712	8.9
529.38824	6.3
531.36835	7.6
533.39508	3.1
543.36481	2.8
551.40723	2.5
607.43481	7.7
611.46429	6.1
625.44501	36.1
626.44702	1.8
643.45532	29.1
678.46887	9.6
679.47522	1.9
689.90546	2.0
691.03174	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	678.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01872	4.9
55.05505	23.0
57.03429	6.5
57.07067	4.7
57.14398	0.9
58.54459	1.0
59.04980	1.7
65.03934	2.1
66.91966	1.0
67.05496	48.1
68.05857	0.9
69.03419	3.6
69.07061	24.6
70.96522	0.8
70.96842	1.9
71.04981	3.3
71.08623	45.0
77.61147	0.8
79.05483	41.1
81.03405	9.6
81.07046	52.9
83.04962	8.6
83.08603	13.6
85.06521	3.3
86.09698	4.2
91.05471	32.4
93.07030	58.4
94.07372	1.4
95.04951	13.3
95.08595	36.4
97.02909	1.4
97.06512	9.6
97.10165	8.5
99.08083	29.9
105.07021	21.1
107.04925	8.8
107.08581	31.7
109.06487	4.8
109.10149	15.9
111.04403	1.0
111.08067	3.8
113.09636	3.0
115.05458	1.2
115.19817	0.8
116.07090	2.0
117.07018	7.5
119.08565	17.9
121.06508	7.3
121.10129	24.6
122.10515	1.0
123.08035	4.0
123.11672	2.3
124.99982	1.0
125.09623	5.1
127.11153	0.9
128.57886	0.9
129.06966	3.0
131.08537	8.4
133.06511	1.1
133.10103	13.3
135.08044	3.3
135.11676	26.5
137.09586	3.4
137.13231	1.0
139.11154	1.3
141.09091	2.4
143.08545	3.8
145.10063	5.6
147.08031	2.4
147.11673	7.5
149.09650	2.5
149.13277	7.1
151.07449	1.1
151.11174	12.1
153.12733	1.4
157.10143	2.0
159.08005	1.0
159.11636	4.3
161.09639	1.4
161.13254	11.9
163.11145	6.4
163.14864	1.9
164.11879	1.7
165.12779	2.4
167.10680	3.4
171.10231	1.0
171.11650	1.8
173.11821	1.6
173.13266	2.9
175.11192	1.0
175.14790	1.1
177.12723	4.4
179.14288	75.2
180.14594	1.7
181.12154	1.4
184.07336	8.9
185.13245	2.2
187.14891	1.0
189.11215	2.2
189.12759	2.0
195.13792	2.4
199.14790	1.1
207.13924	1.0
209.11861	1.1
221.15297	1.6
227.12747	4.5
229.14279	2.5
235.16949	2.7
237.14812	1.3
259.20593	3.8
267.15900	2.7
273.18283	1.1
275.19971	8.2
277.21588	54.1
278.22083	2.3
283.15314	3.7
289.17966	1.2
293.21072	97.0
294.21527	2.9
295.22647	4.2
313.27316	3.6
335.25775	3.0
337.27371	9.8
349.23743	2.4
351.20911	1.8
351.25253	34.6
352.25574	1.2
367.24750	41.6
368.25180	2.9
381.22687	2.8
445.50909	1.1
462.07727	1.0
467.37109	1.7
478.54236	1.1
505.38455	1.7
543.36646	3.7
545.38373	6.7
625.44458	4.8
635.28339	1.4
643.45575	100.0
644.45782	7.8
678.45959	1.2
679.30823	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	678.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01865	0.9
55.05264	0.6
55.05502	6.3
57.03427	9.8
57.04232	0.4
57.07069	21.0
57.69379	0.5
59.04991	3.1
61.94123	0.4
65.03926	1.1
67.05495	56.9
69.03431	1.2
69.07058	5.8
69.84647	2.5
69.85057	0.7
71.01346	1.3
71.05004	2.0
71.08621	17.1
73.02907	1.7
79.05476	3.1
81.03426	0.7
81.07044	17.3
83.04964	0.5
83.08611	10.6
85.02885	5.3
85.06544	2.5
85.10168	9.9
89.06034	0.8
91.05470	5.3
93.07033	5.3
95.01321	2.7
95.04943	1.1
95.08592	15.4
97.02877	0.9
97.06544	1.0
97.10159	3.4
99.00813	0.8
99.08069	0.6
103.03925	1.1
103.07599	0.5
105.07012	1.6
107.08579	3.6
109.06525	0.7
109.10143	64.6
110.10497	1.0
111.08064	1.7
111.11691	1.5
113.02359	1.6
117.07021	0.9
119.08573	5.2
121.10133	1.2
123.08041	0.5
123.11678	2.3
125.09612	0.7
125.13245	0.8
131.03381	1.3
131.08562	1.2
133.10100	1.6
135.11679	0.7
137.09601	3.0
137.13206	0.6
141.01813	5.2
145.10066	0.6
147.11678	0.7
149.09627	0.4
151.11081	0.5
151.14799	0.5
155.10638	4.4
159.11702	0.6
163.14760	0.5
171.11626	0.5
173.11717	20.5
173.13121	0.7
184.07320	1.1
185.13304	0.6
211.16229	0.5
224.31496	0.5
229.14320	100.0
230.14644	1.0
239.23683	1.6
253.14453	1.1
257.24689	1.2
261.22101	0.5
273.18600	0.6
275.19855	0.6
313.27325	80.5
314.27631	1.4
331.13718	1.0
335.25705	1.2
349.24225	0.6
365.23383	0.5
387.16403	0.5
405.17389	1.2
415.26825	0.7
467.37277	62.4
468.37198	1.6
489.30704	1.2
625.44360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01862	7.0
55.05503	38.7
57.03428	16.1
57.07074	7.1
60.08147	3.7
65.03919	5.4
67.05131	4.5
67.05494	88.7
68.05826	4.0
69.03416	4.6
69.07059	28.1
69.54883	20.5
71.05000	4.1
71.08627	3.1
79.05485	77.6
80.05793	2.1
81.03403	6.5
81.07047	100.0
81.07531	4.8
82.07379	2.8
83.04964	8.9
83.08603	21.4
85.06550	3.8
86.09696	16.9
91.05469	79.1
93.07033	84.2
94.82967	2.4
95.04958	16.6
95.08591	59.3
97.06500	14.4
97.10172	10.2
99.08076	3.8
103.05461	3.8
105.07017	72.3
107.04961	6.4
107.08585	47.7
109.06506	6.6
109.10149	27.8
111.08080	7.5
113.09603	2.5
115.05411	4.0
117.07014	29.6
119.08567	59.4
119.09389	3.6
121.06502	6.4
121.10125	32.9
123.08040	4.6
123.11713	7.4
124.99995	13.1
125.09630	7.3
128.06177	6.3
129.07002	16.1
131.08554	37.1
133.10103	47.7
135.08075	5.8
135.11656	22.5
137.09628	6.3
141.06979	6.5
142.07777	4.0
143.08524	15.9
145.10094	36.4
147.11655	39.0
149.09590	5.8
149.13251	13.3
151.11182	4.7
155.08578	10.2
157.10114	19.3
159.07997	2.7
159.11681	27.8
161.09660	4.3
161.13258	12.2
163.11218	5.4
163.14746	2.7
167.08594	2.7
169.10136	11.8
171.11691	21.2
173.09619	2.5
173.13239	12.1
175.11058	2.3
175.14821	8.5
177.12787	3.8
179.14218	2.8
181.10069	6.3
181.12292	2.6
183.11717	12.5
184.07320	68.1
185.13162	12.9
187.14804	5.0
195.11642	4.8
195.13776	3.1
197.13274	8.2
199.14867	9.6
201.16281	3.9
209.13234	4.0
211.14806	5.1
213.16414	5.4
215.18077	3.0
219.17415	2.2
223.14801	4.7
225.16451	2.5
227.12798	4.0
231.21019	2.8
235.14645	2.5
237.16357	3.5
239.17891	3.9
241.19443	11.9
243.17427	3.4
253.14447	2.6
255.15767	15.4
257.18970	4.6
259.20499	33.2
267.15851	3.4
269.17477	8.3
273.18671	2.2
274.69009	2.5
275.20047	16.4
277.21643	3.1
301.21487	2.4
315.23129	6.6
318.37912	2.3
333.24228	30.2
342.76981	2.3
349.23813	8.2
421.31137	2.4
435.32587	4.7
453.33325	3.4
471.34583	2.5
490.36111	3.0
497.36545	5.1
513.35571	17.0
515.37726	6.4
525.35547	3.3
527.37311	31.9
529.38922	2.3
531.37152	3.0
607.43475	15.3
625.44415	17.6
678.46869	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	678.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07533	0.1
53.03930	0.2
55.01854	0.1
55.05487	0.5
57.03411	0.1
57.69101	0.1
60.08135	0.1
67.05480	0.7
68.05019	1.5
69.03400	0.4
69.07053	0.2
70.06570	0.5
71.04971	0.3
71.78687	0.1
71.79092	0.1
72.08135	0.1
73.02918	0.2
79.05488	1.6
79.09829	0.1
80.05014	1.2
81.03407	0.7
81.05787	3.0
81.07046	0.2
82.06564	0.9
83.04488	0.2
83.04971	2.7
84.08122	0.4
85.02892	1.5
87.04459	0.1
91.05460	0.5
92.44801	0.1
93.07017	0.3
93.37305	0.1
94.04144	0.2
94.06545	1.9
95.04945	0.4
95.08595	0.2
96.04456	0.2
96.08118	6.2
97.02874	0.4
97.06525	0.1
98.09694	0.2
99.04432	0.1
99.28460	0.1
103.05445	0.3
104.10712	0.6
105.07011	0.3
106.02883	0.3
107.04937	0.3
107.08590	0.2
107.41053	0.1
109.02855	0.4
109.10172	0.3
111.04446	0.2
112.07582	0.6
112.77444	0.1
114.09148	100.0
115.09485	1.5
116.10711	0.1
119.04916	0.3
121.06530	0.2
122.03653	0.3
124.03931	0.3
124.07518	0.1
127.03899	0.5
128.07066	0.2
129.06978	0.8
130.08627	0.5
131.04932	0.6
131.08554	0.4
133.02837	0.2
133.06422	0.2
135.08015	0.1
137.05952	6.9
137.99724	0.1
141.06956	0.3
145.02850	0.5
145.06468	0.2
145.10126	0.1
146.08156	0.3
147.04417	0.3
147.08026	0.2
149.05971	0.5
151.03990	0.3
151.07529	1.7
154.08606	0.7
156.10194	0.3
157.06447	0.9
159.08054	0.4
160.03894	0.1
160.09738	0.3
161.06009	0.5
161.09755	0.2
163.03893	0.4
163.07500	0.6
167.07135	0.1
169.06448	0.2
172.09703	0.3
174.06767	0.8
174.11230	4.4
175.07526	0.5
175.14819	0.1
177.05449	0.7
177.09001	0.2
179.06992	0.2
186.06689	0.1
187.07635	0.1
189.09077	2.6
191.08162	0.3
191.10724	0.2
194.60535	0.1
195.08124	0.2
197.09601	0.1
201.09140	0.4
206.04483	0.2
207.06526	0.3
207.10197	0.1
213.70967	0.1
217.07114	0.2
219.10144	2.4
219.12152	0.2
221.06104	0.1
227.10730	0.3
229.14337	0.3
248.15048	0.1
253.12222	0.1
255.10219	0.3
282.13287	0.2
285.11243	0.4
287.12805	0.4
297.11163	0.2
300.14349	0.5
307.12915	0.1
313.14484	0.2
318.15439	5.5
319.15918	0.1
325.14224	0.3
331.15457	0.4
371.11325	0.1
374.14310	0.2
375.14703	0.1
421.16528	0.2
485.11661	0.1
499.52112	0.1
625.22736	0.2
648.30219	1.3
678.31128	35.2
679.31549	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	678.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00550	0.2
53.03938	0.2
55.05479	0.2
56.05021	0.6
57.05797	0.4
58.06592	3.5
61.02903	0.2
67.05486	0.4
68.05008	0.8
69.03412	0.4
69.05817	1.1
69.07054	0.6
69.66426	0.1
69.67176	0.8
69.67587	0.4
70.06574	0.6
71.07373	0.5
72.08140	6.2
73.02891	0.2
79.05461	0.4
81.03403	0.7
81.07044	0.4
82.06564	0.2
83.04966	0.5
83.08563	0.2
84.08130	3.3
85.02884	0.6
85.08875	0.3
86.09695	4.1
89.03889	0.2
91.05457	1.5
93.07012	0.7
94.06512	0.3
95.04899	0.2
95.08555	0.4
96.41602	0.2
97.02874	0.5
97.06512	0.3
98.20657	0.2
99.04411	0.2
103.05441	0.4
104.06212	0.2
105.07023	2.5
107.04946	0.3
107.08549	0.3
109.02853	0.5
109.10081	0.2
111.04440	0.2
114.09156	2.8
114.12785	79.0
115.13112	0.5
117.03385	0.3
117.06979	0.4
119.04959	0.4
119.08578	0.3
120.08086	7.3
121.02868	0.2
121.10122	0.2
122.06042	0.2
123.11619	0.2
126.09142	2.3
127.03886	0.8
130.08592	0.6
132.08061	0.8
133.08846	6.8
133.09909	0.2
136.07544	0.2
137.05957	0.9
137.09593	0.2
137.11928	0.2
138.12794	0.2
139.03871	0.2
144.08028	0.2
145.02812	0.8
145.04868	0.2
145.06349	0.3
145.10097	0.2
146.03149	0.2
147.04362	1.0
147.10416	0.2
147.11700	0.2
148.11182	100.0
149.05972	0.3
149.09608	0.2
149.11537	1.3
151.03893	0.3
154.08612	1.5
159.08037	0.2
160.09650	0.2
161.05951	1.3
163.03856	0.7
163.07417	0.3
167.07018	0.4
170.09483	0.2
171.10355	0.5
172.09645	0.6
174.09116	1.4
174.11259	0.3
175.03850	0.3
175.07486	0.3
176.51541	0.2
177.05475	1.7
178.05742	0.4
186.09088	0.2
203.06998	3.2
203.11826	0.4
207.06439	0.5
220.09647	4.8
227.21155	3.7
232.09616	0.8
236.08928	0.2
243.11214	0.2
249.09682	0.2
249.12302	4.6
255.20634	7.2
261.19595	4.5
284.38092	0.2
289.06873	0.2
289.19049	9.3
298.12555	0.4
341.14099	0.2
350.18420	0.2
359.14822	0.2
362.20615	1.9
367.16229	0.3
383.11426	0.2
390.20175	11.4
391.20248	0.4
396.19168	1.6
424.18607	15.7
425.18692	0.6
503.28278	0.4
678.38123	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	678.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12854	0.1
50.49479	0.1
53.03942	0.2
54.94229	0.1
55.05508	0.3
57.03416	0.2
65.85383	0.1
67.05495	0.4
68.05021	1.2
69.03424	0.3
69.07047	0.3
70.06571	0.4
71.04996	0.3
71.79492	0.3
79.05488	1.6
80.05021	0.8
81.03397	0.3
81.05349	0.2
81.05794	3.2
81.07036	0.2
82.06573	0.9
83.04970	2.6
84.08141	0.5
85.02915	0.9
86.06060	0.2
86.09726	0.1
91.05483	0.5
93.07023	0.2
94.04179	0.2
94.06551	1.7
95.04956	0.5
95.08656	0.2
96.07505	0.3
96.08126	5.4
97.02879	0.3
103.05425	0.2
105.07017	0.3
107.04945	0.3
109.02906	0.2
112.07605	0.5
114.09160	100.0
115.09505	1.2
119.04975	0.3
121.06549	0.2
122.03658	0.9
123.08072	0.4
124.04013	0.2
127.03931	0.3
130.08632	0.9
131.04922	0.7
135.04428	0.1
137.05969	9.8
138.06323	0.1
145.02859	0.3
147.04390	0.3
149.06006	0.3
151.03920	0.3
151.07542	1.3
154.08644	0.8
156.10194	0.2
157.06503	0.2
160.09686	0.2
161.05981	0.7
161.09737	0.1
163.03882	0.2
163.07520	1.4
167.07042	0.2
172.09790	0.5
174.11250	4.7
175.07518	0.6
177.05486	0.4
177.09093	1.6
179.08635	0.2
189.09204	0.3
195.08559	0.2
195.10098	1.1
217.08664	0.2
219.10307	0.1
221.05997	0.1
221.11746	0.2
225.09093	0.2
241.12282	0.2
251.10670	0.2
253.08775	0.2
265.08679	0.3
267.10236	0.3
276.14648	0.2
285.11322	0.2
297.11221	0.3
300.14435	0.3
311.12912	0.4
318.15457	3.2
334.15027	1.1
336.16580	0.3
343.15622	0.2
360.00806	0.1
602.23535	0.3
648.30078	1.0
660.30518	0.3
678.31165	33.2
679.31323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01865	7.1
55.05505	13.8
56.14656	1.3
56.37852	1.5
57.03197	1.1
57.03427	10.1
57.07053	5.6
61.02913	1.4
61.47100	1.3
65.03918	1.8
67.05490	21.4
69.03416	3.0
69.07061	19.1
71.01338	2.7
71.04998	7.5
71.08607	1.9
73.02895	3.1
79.05472	14.7
81.03419	7.4
81.07040	45.8
82.07380	1.9
83.01325	7.7
83.04954	6.3
83.08605	13.5
85.02899	9.8
85.06524	2.5
86.09686	4.4
87.00784	1.8
87.04447	7.2
89.02377	2.2
91.05459	19.1
93.07027	34.5
95.04940	5.4
95.08588	67.7
97.02904	1.9
97.06511	5.9
97.10151	3.9
99.08085	2.6
101.02364	11.8
103.03923	2.2
103.05511	1.4
105.07014	48.5
107.04945	1.8
107.08576	61.6
108.08932	1.4
109.06514	4.7
109.10138	41.6
111.00796	4.3
111.08054	2.9
111.11700	1.6
113.91670	1.2
115.03910	19.0
115.05502	1.3
117.06988	7.9
119.08562	62.4
121.06492	2.8
121.10123	65.9
123.08066	5.3
123.11687	25.7
124.99999	1.9
125.09588	3.4
127.03934	2.1
128.06198	2.0
129.01787	8.6
129.06955	3.3
131.08542	25.3
133.10107	63.0
134.10443	1.9
135.08018	4.9
135.11664	34.9
137.09633	3.9
137.13232	5.0
141.01767	1.5
141.06995	1.5
142.07838	1.7
143.03371	9.9
143.08542	9.0
144.09262	1.6
145.10100	37.9
147.02818	1.9
147.04462	1.8
147.08043	2.0
147.11662	33.9
149.09607	8.1
149.13234	22.0
151.11172	15.8
153.09122	4.2
155.08519	2.6
156.09273	1.9
157.01299	14.0
157.10106	14.7
158.10847	2.6
159.11676	34.5
160.12337	1.5
161.04424	2.0
161.09627	2.1
161.13242	24.2
163.07475	1.9
163.11229	3.4
163.14810	19.8
165.12685	2.5
165.16354	2.0
169.10143	4.2
171.02896	2.9
171.11644	11.3
172.12491	2.2
173.13231	24.5
175.02388	2.5
175.11310	3.1
175.14792	66.5
177.12790	2.5
177.16350	57.6
177.17917	3.1
183.11690	5.0
184.07323	11.0
185.13268	9.0
187.11208	1.7
187.14796	47.0
189.03914	39.1
189.12688	2.1
189.16364	47.0
191.14287	4.9
191.17883	8.3
193.12213	2.9
193.15872	7.3
194.12677	1.5
196.12561	1.7
197.13148	3.9
199.14761	14.0
201.16348	41.8
203.14256	2.5
203.17908	38.8
205.15855	13.7
205.19495	3.9
207.04904	9.1
207.17392	2.0
211.13097	2.8
211.14836	3.7
212.13554	1.5
213.16330	20.5
214.16971	3.0
215.14653	1.7
215.17914	35.4
217.03391	13.4
217.15814	3.5
217.19478	4.8
219.13820	2.8
219.17444	7.6
221.15331	4.8
223.14914	2.4
223.16890	9.8
225.16353	2.9
227.17934	6.6
229.15994	2.0
229.19501	5.0
231.17424	10.3
233.15384	3.4
233.19028	4.7
235.16919	6.0
239.17929	2.7
241.19466	5.7
243.21101	1.9
245.15295	2.1
247.16986	1.9
249.18513	5.1
253.19438	2.8
255.21011	2.0
257.18866	1.7
257.22675	1.7
259.16949	18.0
261.18408	7.1
265.19473	1.8
267.15927	2.6
267.21048	3.4
268.15988	1.7
269.17374	3.1
269.22614	1.4
270.17697	3.5
275.19958	1.6
279.20966	1.5
280.08353	1.4
283.23938	1.5
285.18491	2.7
287.20187	1.7
303.23141	2.5
309.25656	3.2
313.21753	1.9
333.25726	1.8
341.24777	2.8
355.26273	4.0
379.33508	4.4
383.29477	2.6
389.31943	16.6
390.31989	1.8
391.33405	1.7
393.18845	1.9
407.33047	63.7
408.33325	2.8
409.30597	3.7
417.31543	1.8
423.32504	2.8
425.34039	33.7
435.32544	100.0
436.32806	3.7
443.35257	1.6
453.33575	45.9
454.33801	2.4
461.28891	2.1
462.29022	7.7
471.15253	1.6
471.34595	9.4
479.29965	2.9
480.30365	12.9
484.15887	3.2
485.16245	3.8
498.17938	2.9
499.18091	10.9
500.18500	2.0
558.19177	2.1
577.45801	1.5
613.36694	2.6
641.36633	7.1
645.24182	2.5
646.24731	2.6
677.27039	36.5
677.39398	6.0
678.26825	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	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05506	13.6
57.03432	8.7
57.07058	2.7
61.02917	18.7
65.03912	2.7
67.05495	69.6
69.03427	3.0
69.07056	16.2
70.36694	6.8
71.04977	3.1
71.08611	1.5
73.02920	7.7
75.04452	1.8
79.05481	41.8
80.78805	1.4
81.03400	3.8
81.07045	89.5
83.04990	2.8
83.08617	9.0
85.02895	20.7
85.06520	2.9
91.03944	18.5
91.05463	21.2
93.07032	51.7
95.04958	5.2
95.08594	68.6
96.08904	1.3
97.02891	9.6
97.06498	4.6
97.10149	3.5
99.04413	1.4
99.08060	1.8
105.07009	16.9
107.08578	35.1
109.06492	2.0
109.09397	2.0
109.10141	37.7
111.08054	3.7
113.09660	1.7
115.03880	1.2
117.07011	10.2
118.09945	1.3
119.08555	16.1
121.10126	35.3
123.08057	2.0
123.11687	15.7
125.09610	3.3
127.03901	5.3
129.07103	1.6
131.08553	22.4
133.10115	13.3
134.10461	1.4
135.11676	26.7
137.09541	1.6
137.13260	6.3
139.11179	2.6
145.04951	9.9
145.10100	15.5
147.11670	14.4
149.13240	25.8
151.11116	2.6
151.14752	2.7
159.11691	15.6
159.74255	1.3
161.13252	14.1
163.05991	14.9
163.11180	1.6
163.14784	14.4
165.12723	4.3
173.13228	19.6
175.14804	4.2
177.12704	2.2
177.16354	6.5
179.14288	2.8
187.14798	10.0
201.16347	4.1
203.17934	1.5
205.15791	2.0
212.22928	1.5
219.17535	1.8
233.22548	3.5
243.21048	39.1
243.23543	2.4
244.21367	2.7
257.57181	1.3
261.22116	100.0
262.22452	3.4
263.23816	2.4
267.44824	1.6
279.23105	5.4
317.24707	1.9
334.21722	1.4
334.64056	1.3
335.25757	32.1
353.26813	45.4
354.27240	1.8
361.52823	1.3
465.20923	1.3
497.30740	7.8
539.06104	1.4
574.53241	1.3
677.34778	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	676.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74873	1.3
53.03934	5.3
55.01860	7.6
55.05506	27.1
56.47311	1.3
57.03421	7.6
57.07060	5.8
65.03929	3.2
67.05495	49.0
69.03423	6.1
69.07055	31.1
70.39661	6.6
71.04978	2.8
71.08622	26.4
79.05481	49.2
81.03408	8.6
81.07045	58.5
83.04969	10.6
83.08605	16.1
85.06531	3.0
91.05468	35.4
93.07032	55.8
95.04957	14.9
95.08595	37.5
97.02869	8.4
97.06523	10.9
97.10150	11.5
98.21354	1.8
99.08076	16.7
105.07015	27.7
107.04967	10.8
107.08578	32.0
109.06506	5.2
109.10135	14.3
111.04443	1.8
111.08073	3.9
115.05428	1.6
117.06978	10.9
119.08567	24.0
121.06477	3.4
121.10123	25.4
123.08054	3.4
123.11699	3.7
125.09623	6.5
129.07007	5.3
131.08536	11.5
133.06465	3.3
133.10129	16.1
135.08070	3.3
135.11668	25.5
136.06161	21.4
137.09598	5.3
141.09077	3.2
143.08549	5.5
145.10088	9.2
147.08023	3.7
147.11687	6.7
149.09694	2.2
149.13237	10.6
151.11180	9.9
157.10132	4.0
157.76645	1.5
159.07935	1.7
159.11722	3.9
161.09584	1.8
161.13235	12.2
163.11203	6.0
171.11684	3.4
175.11157	2.1
177.12709	4.3
179.14284	69.2
185.13295	2.8
186.90807	1.5
189.11188	3.7
189.12782	2.5
193.12239	2.3
205.07149	1.7
221.15411	1.7
223.11237	2.8
223.13219	16.5
227.12776	3.4
235.16931	3.3
249.14857	3.1
259.20551	3.3
267.16000	2.1
273.18472	13.5
275.19962	6.8
277.21591	53.7
277.24591	3.4
291.19498	78.3
292.19891	3.4
293.20969	6.7
295.22696	4.2
313.27408	2.3
335.25662	1.8
347.22296	1.9
349.23611	2.3
351.25278	30.7
365.23190	60.0
366.23495	1.8
367.24655	3.9
428.41229	1.5
543.36554	2.5
623.42285	2.2
641.44043	100.0
642.44073	4.4
676.46277	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	676.477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91159	3.6
53.03940	6.7
55.01862	6.8
55.05503	29.3
56.13614	3.7
57.03416	11.3
57.07052	5.0
65.03936	6.9
67.05492	91.9
69.03410	4.2
69.07048	35.0
71.08613	32.1
77.03878	4.5
79.05476	72.3
80.04999	4.8
81.03394	15.3
81.06593	6.5
81.07043	98.2
83.04968	15.9
83.08596	19.6
91.05458	77.9
93.07024	100.0
95.04944	21.5
95.08595	57.6
97.06549	18.3
97.10165	9.5
99.08057	20.2
105.07011	69.6
107.04924	15.2
107.08572	61.7
109.06496	10.8
109.10129	48.0
117.06992	14.6
119.08547	45.2
121.02924	5.3
121.06474	8.1
121.10126	31.2
123.08063	8.7
123.11704	5.8
125.09649	4.3
129.06935	8.3
131.08554	16.9
133.10104	56.8
135.08014	10.7
135.11644	42.2
143.08521	5.9
145.10112	16.0
147.08049	5.5
147.11674	13.4
149.09572	8.8
149.13211	11.6
151.11139	28.1
155.08641	5.6
157.10143	5.1
159.08046	6.1
159.11676	11.1
161.09669	5.7
161.13185	18.6
163.11212	8.7
169.10130	5.3
171.11644	6.0
173.09686	5.3
173.13280	6.3
175.14766	5.5
179.14285	84.7
185.13225	6.2
195.13821	4.2
230.05484	4.2
235.16992	5.1
239.07324	4.9
239.09972	4.3
241.19333	6.9
253.14293	79.2
259.20618	5.7
261.18451	5.9
271.16739	4.0
273.18539	23.9
275.20023	9.5
277.21628	61.9
289.17911	14.4
291.19485	21.2
333.24173	13.4
335.25848	25.9
347.22220	12.1
351.25208	47.0
363.21381	4.8
365.23172	36.8
386.93735	4.8
547.36420	6.1
609.45062	14.9
623.42554	17.7
632.72784	4.2
641.43994	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	676.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
54.55408	0.6
55.01855	2.1
55.05504	9.9
57.03435	4.4
57.07057	0.9
61.02915	3.6
64.28907	0.5
65.03928	1.0
67.05495	21.2
69.03400	3.1
69.07058	10.3
71.04973	2.7
72.08129	0.7
73.02895	2.5
79.05481	17.8
81.03405	8.6
81.07043	33.9
82.07394	0.8
83.04970	6.2
83.08596	7.0
85.02888	5.6
85.06517	2.9
91.03937	1.9
91.05466	18.8
92.05800	0.6
93.07028	17.6
95.04956	5.5
95.08593	13.8
96.08841	0.6
97.02888	3.3
97.06509	3.8
97.07623	0.8
97.10141	4.5
99.04416	0.7
99.08083	1.6
105.07017	18.3
107.04941	4.7
107.08575	13.6
109.02858	1.2
109.06496	3.9
109.10149	4.9
110.02325	0.7
111.04408	1.1
111.08057	2.8
114.10275	0.9
117.07006	6.0
119.04973	0.7
119.08559	16.3
121.06473	3.7
121.10126	10.7
123.08043	3.0
123.11687	5.8
125.05958	0.6
125.09608	3.6
127.03904	1.1
127.07528	1.5
127.38378	0.6
128.06195	0.8
129.05513	1.2
129.06981	5.6
131.08536	9.3
133.06464	2.5
133.10115	9.6
135.08046	2.1
135.11684	3.0
137.06000	1.3
137.09587	1.2
141.06982	1.6
142.07799	0.7
143.08525	4.1
145.06476	2.6
145.10098	4.7
147.04387	3.7
147.08038	2.8
147.11659	16.7
149.09592	1.9
149.13203	3.5
151.11165	0.9
152.07007	1.4
155.08563	2.6
157.10092	5.4
159.08067	1.1
159.11671	4.0
161.09572	1.3
161.13150	0.8
163.11185	0.9
165.12720	5.6
167.08484	1.2
169.10120	2.5
171.07922	0.7
171.11655	2.3
173.04433	1.7
173.09554	1.2
173.13237	1.6
175.11200	2.8
175.14848	0.6
177.05528	0.7
177.12756	1.8
181.10143	0.9
183.08025	0.7
183.11693	2.2
184.07338	1.4
185.09605	1.2
185.13313	1.1
187.14799	1.2
189.11137	0.9
189.12750	1.2
191.14282	0.6
191.18143	0.7
193.10318	0.9
193.12234	3.4
194.09262	0.7
195.11627	1.1
195.13866	0.7
197.13353	1.1
199.11195	0.8
199.14819	1.6
201.12567	0.8
203.14319	1.2
207.11630	0.8
211.13148	1.3
211.14914	1.2
211.19508	0.6
213.12750	1.1
215.14232	0.8
217.15919	1.0
219.13792	0.9
247.16910	0.7
248.41504	0.6
251.24147	0.6
257.15356	1.1
267.15851	9.4
269.17404	2.8
277.16580	1.8
277.66641	0.9
285.16910	1.3
323.23572	0.9
341.24625	2.8
351.23099	4.0
359.25717	2.4
369.24179	7.2
381.15576	0.6
387.25272	6.6
405.26355	2.1
415.28421	0.8
425.26651	0.9
433.29578	3.6
443.27914	13.4
443.33679	1.1
444.28534	1.1
461.28912	100.0
462.29285	4.6
479.30032	25.1
480.30090	1.2
483.51834	0.7
485.28845	1.7
503.29926	3.4
511.24338	0.7
527.29889	0.9
569.30951	1.2
581.19916	0.7
587.32507	1.0
605.32788	1.7
623.34265	1.3
676.41229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	0.3
55.33911	0.2
57.03391	0.4
63.12080	0.2
67.05428	1.0
69.03365	0.3
69.07005	0.5
71.00808	0.7
71.04943	0.2
79.05417	0.7
81.03333	0.7
81.07037	1.3
83.04896	0.4
83.08569	0.4
85.02818	0.9
88.63998	0.2
91.05400	0.5
93.07005	1.3
95.04887	0.4
95.08513	0.8
97.02841	0.6
97.06456	0.4
105.06973	0.5
107.08532	0.6
109.10093	0.4
119.08493	0.6
121.10062	0.5
129.06989	0.2
131.08508	0.3
133.10062	0.3
135.11681	0.4
145.10023	0.5
147.11612	0.3
159.11702	0.3
187.63092	0.2
193.12326	0.3
211.13196	0.3
267.15778	0.5
267.81866	0.2
269.17389	0.4
277.21564	0.4
425.16595	0.3
439.14261	0.3
440.14655	0.3
453.15604	0.7
454.16516	0.8
455.13708	0.8
456.13992	0.5
459.34424	0.3
460.27890	0.4
467.17133	1.0
468.13400	1.8
469.14789	7.2
470.15417	2.6
471.16425	0.7
472.17709	0.4
477.28455	0.4
478.28583	1.0
479.30151	0.4
481.14661	2.2
482.15765	10.0
483.16547	9.7
484.17154	2.4
485.18069	0.5
495.16559	1.6
496.17416	5.6
497.18130	39.6
498.18646	6.3
499.19272	0.5
500.16797	0.7
501.17731	0.7
509.17776	0.4
510.19147	2.3
511.19711	5.2
512.20465	2.1
515.19379	1.7
516.20264	0.3
523.18140	0.3
524.17773	0.3
525.18677	0.4
527.15607	0.4
528.16150	2.1
529.17163	0.9
538.20648	1.4
539.22577	0.5
541.17157	0.7
542.17926	2.5
543.18451	0.5
555.18481	1.9
556.19531	4.2
557.20233	3.7
558.20660	0.5
569.20258	0.9
571.21747	0.8
575.21106	0.3
583.21643	0.3
587.21204	0.4
616.21490	1.6
617.22125	0.5
625.23212	0.4
629.22266	0.9
630.22791	0.7
643.23859	7.8
644.24597	9.1
645.25262	1.3
657.25549	7.3
657.35132	0.2
658.26031	0.7
660.24200	0.3
675.26483	100.0
676.26813	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	674.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.0
55.05500	12.1
57.03196	0.5
57.03428	6.7
59.04979	1.2
60.08152	1.3
61.02912	2.8
65.03940	1.3
67.05493	21.9
68.05786	0.8
69.03413	4.3
69.07056	7.2
71.01327	0.7
71.04982	3.3
71.05307	0.5
71.07349	0.9
73.02901	2.2
74.52810	0.6
76.40316	0.5
79.05481	17.9
79.73405	0.5
81.03403	18.5
81.07044	28.2
82.03751	0.6
82.07346	0.7
83.01316	2.2
83.04505	0.6
83.04969	8.2
83.08607	11.9
84.87739	0.5
85.02893	7.0
85.06528	2.6
86.09699	3.8
91.03928	1.2
91.05468	16.3
93.07029	21.1
94.07346	0.5
95.04953	8.9
95.08585	10.7
97.02879	4.4
97.06510	4.5
97.10157	6.6
99.04442	1.4
99.08068	1.3
103.05458	1.0
103.11893	0.6
104.10732	7.0
105.07016	12.3
107.04945	5.4
107.08575	14.4
107.28535	0.5
108.08912	0.7
109.02851	1.4
109.06502	3.4
109.10131	6.1
109.40382	0.6
111.04446	4.5
111.08073	5.7
111.11737	0.5
113.06048	0.7
114.09209	0.8
117.07024	6.6
119.04942	1.3
119.08559	9.4
121.06500	3.0
121.10115	8.1
123.04406	0.8
123.08051	4.2
123.11661	2.0
124.67482	0.5
124.99980	1.9
125.06013	1.2
125.09604	5.5
127.03899	1.6
129.06949	3.9
131.04892	0.8
131.08527	7.8
132.08919	0.5
133.06494	1.6
133.10121	6.5
135.04379	0.6
135.08012	2.2
135.11665	6.3
137.05968	1.7
137.09576	1.0
139.07484	0.7
139.11139	0.8
141.06941	0.9
142.07759	1.1
143.08542	1.7
145.06485	2.9
145.10103	7.3
147.04359	1.5
147.08012	1.4
147.11684	4.5
148.11150	0.8
149.09566	2.8
149.13234	6.6
151.11163	0.7
153.09103	1.1
153.12672	2.9
155.08505	2.2
157.10126	3.2
159.07994	1.1
159.11668	4.0
161.09738	0.5
161.13202	0.6
163.11157	9.7
165.12788	0.7
169.10139	1.0
171.08060	0.8
171.11615	1.2
173.09567	2.5
173.13199	0.9
175.11166	2.2
177.05457	0.5
177.12685	2.2
181.12173	2.9
183.11676	0.8
184.07292	6.8
185.09462	0.8
185.13182	0.7
189.11203	1.9
189.12708	1.1
191.10670	2.1
193.12201	6.3
195.11734	0.9
195.13791	1.5
197.13234	1.1
205.15897	1.0
207.06482	0.7
209.11713	2.2
211.13184	3.7
213.12802	0.8
213.14760	0.9
215.14435	1.0
227.12727	6.1
229.51611	0.7
231.13817	0.8
233.15323	1.4
237.12799	0.7
267.15863	17.9
268.16333	0.9
269.17429	14.9
273.14795	1.4
283.15353	15.4
284.15753	1.5
285.16779	3.5
349.21313	0.8
355.09485	0.6
357.24622	0.8
367.22507	2.9
385.23642	5.2
403.24738	4.0
421.25684	0.7
433.25778	2.7
441.26532	1.3
459.27341	25.2
460.27301	2.6
477.28409	100.0
478.28720	8.8
495.29538	13.7
496.29675	1.0
512.33258	2.4
519.29071	0.6
584.38440	0.6
674.38715	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	672.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02370	0.4
53.03934	1.9
55.01856	1.4
55.05260	0.5
55.05503	5.9
57.03434	4.1
57.07053	0.7
57.26036	0.4
61.02874	0.7
65.03915	1.3
67.05495	24.3
69.03416	0.9
69.07059	7.8
71.04982	1.8
71.78912	0.4
71.79324	0.4
73.02898	0.3
73.06542	0.8
79.05482	25.7
79.91691	0.4
81.03403	2.7
81.07043	30.2
83.04970	6.1
83.08604	5.7
85.02897	1.4
85.06526	1.7
87.04453	0.4
91.05469	18.2
93.07030	31.3
93.49258	0.4
94.07343	0.7
95.04957	7.3
95.08598	11.5
97.02885	0.6
97.06514	3.5
97.10162	1.7
99.08081	1.1
105.07016	13.1
106.07307	0.4
107.04932	1.8
107.08577	12.4
109.06509	2.8
109.10137	2.7
111.04446	0.4
111.08070	1.7
113.09678	0.3
115.05418	0.3
117.06988	3.7
119.08565	7.6
121.06495	1.5
121.10123	5.1
123.08079	2.0
123.11736	0.5
125.09598	0.7
127.03880	0.6
127.07510	0.7
128.06207	0.8
129.06987	5.7
131.08545	3.2
133.10107	5.1
135.08057	1.1
135.11627	2.3
139.11198	0.5
143.08549	2.5
145.10126	3.5
147.08046	0.7
147.11653	10.8
149.13248	8.3
153.09184	0.4
159.11656	3.7
161.09622	0.9
161.13245	2.4
165.09111	0.4
171.11667	6.4
177.12692	1.8
180.93767	0.3
189.12686	2.7
195.13791	2.3
207.13780	8.8
212.16470	1.0
225.14940	0.8
256.19150	0.6
269.17441	23.1
270.17636	0.6
281.17432	20.0
282.17743	0.5
457.29504	0.7
460.27374	0.4
463.91803	0.4
475.30493	100.0
476.30884	4.0
681.51544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
55.05450	5.5
57.03379	4.5
57.07013	35.6
57.07471	1.1
61.02861	13.5
62.05829	0.3
67.05495	12.1
69.03363	2.1
69.07060	9.5
70.11863	2.2
71.04945	0.8
71.08620	33.8
71.08994	1.7
73.02907	5.9
75.04472	2.3
77.51769	0.3
79.05489	2.8
81.03402	3.0
81.07044	17.2
81.07488	0.7
82.07343	0.7
83.04910	0.4
83.08608	13.3
85.02895	19.5
85.06489	0.7
85.10172	18.4
89.05969	0.9
91.03944	15.9
91.05405	1.7
93.06971	1.6
95.04950	2.6
95.08595	25.7
96.05230	0.4
96.08871	0.6
97.02879	9.3
97.10153	6.1
99.04362	1.1
99.08025	0.5
99.11658	1.5
101.02348	0.4
103.07516	0.7
105.07014	1.8
107.04899	0.5
107.08582	1.8
109.02821	0.8
109.06436	0.4
109.10139	12.8
111.04394	0.6
111.11646	1.6
115.03860	0.7
117.06931	0.7
117.75214	0.4
119.08516	1.1
121.06420	0.5
121.10080	0.5
123.07951	0.4
123.11693	5.3
125.13203	1.1
125.88525	0.4
127.03899	6.7
129.06973	0.5
131.08488	1.2
133.06401	0.4
133.10063	0.8
135.11642	0.6
137.13245	2.7
144.08864	0.5
145.03854	0.5
145.04942	9.0
145.10092	0.6
149.13272	0.5
151.14760	0.9
159.07993	0.5
159.11595	0.6
161.05956	0.5
163.05994	14.2
165.16321	0.7
188.57056	0.4
221.22552	1.1
239.23671	21.1
240.23976	0.5
257.24738	3.9
257.31131	0.4
264.76962	0.3
274.15323	0.4
301.14230	0.6
302.14749	0.4
313.27325	100.0
314.27658	3.1
331.28387	57.4
332.28775	1.5
335.25748	0.6
336.26096	0.7
636.39526	1.5
654.40112	0.8
672.32050	0.5
672.41510	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	671.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01855	1.9
55.05231	1.0
55.05502	20.0
57.03419	2.8
57.07064	16.4
61.02909	2.6
65.03909	0.8
67.05491	25.8
69.03423	8.0
69.07056	64.2
70.06585	2.0
70.95198	2.5
71.04982	2.4
71.08611	7.1
72.08128	1.0
73.02894	1.8
79.05471	10.6
81.03397	5.6
81.07041	97.7
82.07378	0.9
83.04964	1.7
83.08604	40.1
85.02892	38.0
85.06520	9.1
85.10152	1.8
86.09701	1.0
87.04481	1.1
91.03926	1.5
91.05458	5.7
93.07028	19.5
95.04934	2.9
95.08591	100.0
96.08874	1.0
97.02879	8.0
97.06514	2.9
97.10149	24.5
99.04426	2.2
99.08070	7.6
102.22961	0.7
105.07018	4.5
107.04971	1.5
107.08576	24.2
109.02861	6.8
109.06490	1.4
109.10139	64.6
110.10529	0.8
111.04470	1.2
111.08087	6.0
111.11702	26.0
113.09624	2.6
114.09173	1.1
117.06931	0.9
119.04922	3.2
119.08554	3.5
120.08051	1.0
121.06462	1.2
121.10126	15.2
122.06013	1.0
123.08085	1.1
123.11688	43.8
124.12022	1.7
125.05939	1.0
125.09650	3.9
125.13239	18.8
127.03886	9.8
127.11143	1.9
128.07022	0.9
129.06935	0.9
130.08627	1.7
131.04915	1.4
131.08553	2.3
133.06390	1.0
133.10107	2.2
135.08043	1.7
135.11676	11.9
137.05954	5.3
137.13228	33.8
139.11124	2.1
139.14789	5.5
141.12717	1.6
143.14319	1.1
145.02859	2.5
145.04926	12.9
145.10120	2.4
147.04388	10.8
147.08005	1.5
147.11679	2.2
148.04747	1.2
148.11188	2.6
149.09587	1.7
149.11482	1.6
149.13237	34.4
150.13580	1.0
151.07556	0.8
151.14801	13.5
153.12717	2.9
153.16365	1.4
155.14299	7.2
157.10165	1.1
157.15892	1.6
159.11594	0.9
161.05933	2.0
163.03906	3.8
163.05984	9.9
163.11148	0.9
163.14796	9.8
165.09135	1.1
165.16364	10.7
167.07025	1.7
167.14301	18.3
169.15837	6.1
171.11705	1.0
173.13211	1.1
175.03920	2.1
175.07491	1.2
177.05467	3.6
177.16353	4.4
178.97964	0.8
179.07053	0.9
179.17903	8.6
181.04971	1.1
181.15973	1.2
182.28175	0.9
183.17407	2.9
187.14799	1.1
191.17952	3.4
193.19516	7.1
197.18997	1.6
205.19473	3.8
207.06496	3.4
207.21054	2.9
208.06847	1.1
211.20570	2.5
219.20975	5.1
223.20433	1.9
237.21956	2.2
239.11742	1.0
243.15675	0.8
247.24246	1.3
249.25742	4.1
263.27222	1.2
267.10977	1.0
275.27274	22.3
276.27570	1.1
281.28317	3.1
291.26712	1.1
293.28329	76.7
294.28754	3.4
295.10239	0.8
305.28299	1.2
311.29391	31.2
312.29486	1.1
325.11340	3.7
329.30359	1.5
335.29443	0.9
383.29260	1.7
401.30396	2.2
403.52759	1.0
419.31546	3.2
437.32516	3.0
455.33521	2.6
459.27133	1.4
473.35150	2.6
653.25128	1.3
660.90881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.6
57.05806	0.9
58.06592	5.9
61.02896	0.2
67.05529	0.1
69.03410	0.4
69.07055	0.3
70.06572	0.4
70.22849	0.3
70.23238	0.3
70.59475	0.1
71.07355	0.7
72.08147	11.8
81.03397	0.4
81.07038	0.2
81.85207	0.1
84.04504	0.2
84.08115	0.5
85.02874	0.4
86.09689	0.5
90.05360	0.1
91.05453	0.3
91.11712	0.1
93.07043	0.2
95.04984	0.2
97.02872	0.3
98.21400	0.2
100.11241	2.1
105.07024	0.4
107.04969	0.2
109.02843	0.3
109.10178	0.2
112.07600	0.2
114.12790	100.0
115.13145	0.8
119.04946	0.2
122.06018	0.5
123.08067	0.4
127.03919	0.4
128.10703	0.2
129.06975	0.1
130.08644	0.4
133.06517	0.3
136.07570	0.9
137.05936	0.9
137.07899	0.4
138.05518	0.5
140.07074	0.8
141.07437	0.2
142.07527	0.2
145.02841	0.2
145.10124	0.2
146.05983	0.3
147.04431	0.5
148.06081	0.2
148.07559	0.2
148.11208	0.3
149.07936	0.2
152.07066	0.2
157.13382	0.4
161.05940	0.2
163.03925	0.5
163.07568	0.3
164.07045	1.2
165.07458	0.8
166.07439	0.3
166.08655	0.8
167.09001	0.6
168.09108	0.2
172.03926	0.3
172.70766	0.1
175.03889	0.3
175.05634	0.1
175.11189	0.5
176.07092	0.3
177.05466	0.3
177.80943	0.1
201.05447	0.3
204.06575	0.2
205.06699	0.2
207.06645	0.4
235.12206	0.2
237.10269	0.3
238.10681	0.3
239.11688	0.3
240.12180	0.3
241.12372	0.2
249.10088	0.3
250.10606	0.5
251.11584	0.5
251.17551	0.3
252.12035	0.5
253.12485	0.3
258.63727	0.1
263.11853	0.7
264.12131	1.0
265.09442	0.4
265.13144	1.0
266.10120	0.4
266.13718	1.5
267.11005	0.3
267.14059	1.0
268.14417	0.3
271.16547	0.2
278.10098	0.4
279.11203	1.4
280.11633	1.8
281.11923	1.3
282.12338	0.5
289.14380	0.2
291.11172	0.2
292.11545	0.3
293.12564	0.5
294.12988	0.4
295.10504	0.2
295.13568	0.4
296.11047	0.3
297.12033	0.7
298.12439	0.7
299.13058	0.6
300.13379	0.4
309.12360	1.1
310.12692	2.6
311.13147	2.7
312.13739	2.1
313.14371	1.2
314.14981	0.4
319.10785	0.3
320.11240	0.4
321.11481	0.4
322.12390	0.2
325.10889	0.6
337.11734	1.9
338.12158	4.1
339.12570	5.1
340.12924	3.2
341.13669	1.3
342.14285	0.4
355.11783	0.2
357.13937	0.2
359.23218	1.8
369.14694	0.4
370.14899	0.7
371.15088	1.4
372.15698	0.9
373.16235	0.7
374.16992	0.3
377.24432	0.3
382.27014	0.7
384.28513	12.4
385.28897	0.4
402.13940	0.2
403.13846	0.2
418.16830	0.2
452.21942	0.3
453.22031	0.9
454.22498	1.2
455.22574	1.5
478.19778	0.3
479.20047	1.3
480.20300	1.4
481.20645	2.3
482.20474	0.2
490.32745	3.9
496.20068	0.2
497.20935	0.4
498.21573	0.4
499.21896	0.5
508.33789	5.3
510.22345	0.2
511.22949	1.2
512.22919	1.9
513.23181	3.9
514.24054	0.2
539.29779	0.6
602.26099	0.6
620.27338	0.5
637.28137	0.2
638.28046	2.2
670.30090	0.4
670.39313	5.2
671.39978	0.3
685.66907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.01836	0.5
55.05507	1.8
57.03411	0.5
57.07045	0.7
58.06572	0.4
59.04968	0.4
61.02909	0.4
65.03912	0.3
67.05495	4.0
68.05019	4.5
69.03419	2.0
69.07052	3.2
70.06578	0.6
71.01331	0.3
71.04978	4.3
71.07299	0.3
71.79281	0.3
71.79666	0.3
72.08134	0.7
73.02896	0.3
77.70390	0.2
79.05475	3.3
81.03413	1.4
81.07043	7.6
81.30594	0.2
83.04951	1.3
83.08598	1.4
85.02898	2.5
85.06497	0.9
86.09694	0.7
87.04461	0.2
91.05460	4.3
93.07024	6.6
95.04971	1.2
95.07990	0.5
95.08588	7.6
96.08827	0.2
97.02864	0.9
97.06494	0.9
97.07603	0.3
97.10172	0.6
98.09699	1.4
99.08053	1.0
103.05452	0.5
104.06213	0.3
105.07008	9.9
106.07378	0.4
107.04924	0.7
107.08572	9.1
109.02853	0.7
109.06495	1.3
109.10140	7.3
110.02328	0.4
111.04414	0.5
111.08067	1.3
111.11667	0.3
114.10279	0.6
114.12778	4.6
115.03859	0.3
115.05428	0.4
117.06986	1.3
119.04918	1.3
119.08556	8.0
120.08105	0.6
121.06475	1.0
121.10116	6.7
123.04375	0.3
123.08056	1.5
123.10867	0.2
123.11682	4.7
125.09599	2.3
127.03883	0.6
127.07458	0.3
127.11148	2.0
128.06218	0.4
129.05476	0.6
129.06960	0.4
130.08601	0.3
131.04898	0.5
131.08528	3.3
132.08037	0.6
133.06476	0.4
133.08839	7.4
133.10097	7.8
134.09219	0.7
135.04402	0.8
135.08064	1.2
135.11667	3.9
137.05940	5.0
137.09570	1.0
137.13200	0.7
139.07507	0.3
139.11124	0.3
141.12714	0.7
142.07719	0.4
143.08551	2.1
143.10667	2.0
144.09309	0.3
145.02808	1.1
145.06442	0.3
145.10101	6.0
146.09564	1.2
147.04381	6.2
147.07997	0.6
147.11656	4.9
148.11179	100.0
149.09741	1.6
149.11520	9.1
149.13223	2.8
151.07523	0.6
151.11142	0.9
152.07022	0.6
153.12704	0.5
155.08498	0.6
156.09224	0.3
157.10092	3.1
159.08037	0.5
159.11676	6.3
160.09676	0.4
161.06027	0.3
161.09627	1.0
161.13234	4.3
163.03880	4.4
163.07510	1.0
163.11143	0.8
163.14854	1.2
165.09109	0.6
165.12706	0.5
167.07091	0.4
169.10066	0.8
170.08141	0.3
171.08008	0.3
171.11656	2.6
173.09599	0.6
173.11722	0.2
173.13193	3.9
175.07536	1.0
175.11197	0.8
175.14758	2.5
177.05435	1.3
177.09119	1.7
177.12759	0.8
177.16344	0.9
179.10526	0.2
181.10107	0.4
183.11676	0.9
184.12309	0.3
185.09677	0.3
185.13194	2.0
187.11189	0.5
187.14809	2.9
189.09059	0.5
189.12769	0.5
189.16373	1.6
191.10587	0.3
191.14281	0.5
191.17906	0.5
194.09218	0.6
195.11687	0.6
197.13347	1.2
197.14877	0.3
199.14767	1.3
201.12695	0.3
201.16341	2.6
203.06985	1.9
203.14362	0.7
203.17865	0.3
204.10129	2.1
205.12071	0.3
205.15846	1.1
207.06496	0.7
207.11697	0.4
207.13519	0.3
207.17397	0.3
209.13301	0.5
211.14771	1.3
213.16351	1.7
215.14220	0.4
215.17940	1.0
217.15831	0.6
218.11719	0.3
219.13792	0.6
219.17526	0.5
221.15228	0.3
223.14760	0.7
225.16321	0.7
227.14505	0.3
227.17888	1.0
229.12646	0.3
229.16113	0.3
231.18713	1.8
232.09612	1.6
233.15421	0.6
233.18755	0.3
235.14735	0.3
237.16307	0.4
239.17900	0.7
241.19521	0.6
245.15346	0.4
247.17781	0.8
248.18359	0.6
251.18056	0.4
253.19478	0.6
255.20917	0.7
259.18045	1.4
259.20508	0.4
261.19620	1.5
265.19531	0.2
267.20996	0.2
269.18906	0.3
271.20462	0.4
273.18649	0.5
273.21866	0.4
275.17493	2.0
276.17847	1.2
277.16669	0.4
279.26733	0.2
283.20587	0.3
285.22061	0.4
287.17398	1.4
289.19025	3.0
289.21655	0.3
290.19498	0.3
295.20407	0.3
301.16537	0.3
301.21658	0.6
313.21573	0.4
325.09241	0.4
325.25226	0.3
327.23163	0.3
348.84116	0.2
351.71234	0.3
363.19064	12.8
364.19431	0.8
367.30283	0.3
377.20404	0.4
381.20105	2.8
383.15015	0.6
393.31458	0.4
394.17441	0.3
395.17807	0.5
395.29410	1.0
397.17477	1.1
405.31607	0.3
407.33105	0.5
413.30392	0.9
417.31567	0.4
423.32611	0.9
435.32587	1.5
441.21259	0.4
441.33484	1.1
453.33710	2.8
455.35126	0.5
471.34598	6.6
472.35156	0.5
473.36218	0.7
489.35672	66.8
490.35992	3.8
507.36697	6.4
510.29800	0.6
569.26135	0.5
570.26453	0.3
633.39496	0.4
651.37738	0.9
669.38214	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	669.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.01836	0.5
55.05507	1.8
57.03411	0.5
57.07045	0.7
58.06572	0.4
59.04968	0.4
61.02909	0.4
65.03912	0.3
67.05495	4.0
68.05019	4.5
69.03419	2.0
69.07052	3.2
70.06578	0.6
71.01331	0.3
71.04978	4.3
71.07299	0.3
71.79281	0.3
71.79666	0.3
72.08134	0.7
73.02896	0.3
77.70390	0.2
79.05475	3.3
81.03413	1.4
81.07043	7.6
81.30594	0.2
83.04951	1.3
83.08598	1.4
85.02898	2.5
85.06497	0.9
86.09694	0.7
87.04461	0.2
91.05460	4.3
93.07024	6.6
95.04971	1.2
95.07990	0.5
95.08588	7.6
96.08827	0.2
97.02864	0.9
97.06494	0.9
97.07603	0.3
97.10172	0.6
98.09699	1.4
99.08053	1.0
103.05452	0.5
104.06213	0.3
105.07008	9.9
106.07378	0.4
107.04924	0.7
107.08572	9.1
109.02853	0.7
109.06495	1.3
109.10140	7.3
110.02328	0.4
111.04414	0.5
111.08067	1.3
111.11667	0.3
114.10279	0.6
114.12778	4.6
115.03859	0.3
115.05428	0.4
117.06986	1.3
119.04918	1.3
119.08556	8.0
120.08105	0.6
121.06475	1.0
121.10116	6.7
123.04375	0.3
123.08056	1.5
123.10867	0.2
123.11682	4.7
125.09599	2.3
127.03883	0.6
127.07458	0.3
127.11148	2.0
128.06218	0.4
129.05476	0.6
129.06960	0.4
130.08601	0.3
131.04898	0.5
131.08528	3.3
132.08037	0.6
133.06476	0.4
133.08839	7.4
133.10097	7.8
134.09219	0.7
135.04402	0.8
135.08064	1.2
135.11667	3.9
137.05940	5.0
137.09570	1.0
137.13200	0.7
139.07507	0.3
139.11124	0.3
141.12714	0.7
142.07719	0.4
143.08551	2.1
143.10667	2.0
144.09309	0.3
145.02808	1.1
145.06442	0.3
145.10101	6.0
146.09564	1.2
147.04381	6.2
147.07997	0.6
147.11656	4.9
148.11179	100.0
149.09741	1.6
149.11520	9.1
149.13223	2.8
151.07523	0.6
151.11142	0.9
152.07022	0.6
153.12704	0.5
155.08498	0.6
156.09224	0.3
157.10092	3.1
159.08037	0.5
159.11676	6.3
160.09676	0.4
161.06027	0.3
161.09627	1.0
161.13234	4.3
163.03880	4.4
163.07510	1.0
163.11143	0.8
163.14854	1.2
165.09109	0.6
165.12706	0.5
167.07091	0.4
169.10066	0.8
170.08141	0.3
171.08008	0.3
171.11656	2.6
173.09599	0.6
173.11722	0.2
173.13193	3.9
175.07536	1.0
175.11197	0.8
175.14758	2.5
177.05435	1.3
177.09119	1.7
177.12759	0.8
177.16344	0.9
179.10526	0.2
181.10107	0.4
183.11676	0.9
184.12309	0.3
185.09677	0.3
185.13194	2.0
187.11189	0.5
187.14809	2.9
189.09059	0.5
189.12769	0.5
189.16373	1.6
191.10587	0.3
191.14281	0.5
191.17906	0.5
194.09218	0.6
195.11687	0.6
197.13347	1.2
197.14877	0.3
199.14767	1.3
201.12695	0.3
201.16341	2.6
203.06985	1.9
203.14362	0.7
203.17865	0.3
204.10129	2.1
205.12071	0.3
205.15846	1.1
207.06496	0.7
207.11697	0.4
207.13519	0.3
207.17397	0.3
209.13301	0.5
211.14771	1.3
213.16351	1.7
215.14220	0.4
215.17940	1.0
217.15831	0.6
218.11719	0.3
219.13792	0.6
219.17526	0.5
221.15228	0.3
223.14760	0.7
225.16321	0.7
227.14505	0.3
227.17888	1.0
229.12646	0.3
229.16113	0.3
231.18713	1.8
232.09612	1.6
233.15421	0.6
233.18755	0.3
235.14735	0.3
237.16307	0.4
239.17900	0.7
241.19521	0.6
245.15346	0.4
247.17781	0.8
248.18359	0.6
251.18056	0.4
253.19478	0.6
255.20917	0.7
259.18045	1.4
259.20508	0.4
261.19620	1.5
265.19531	0.2
267.20996	0.2
269.18906	0.3
271.20462	0.4
273.18649	0.5
273.21866	0.4
275.17493	2.0
276.17847	1.2
277.16669	0.4
279.26733	0.2
283.20587	0.3
285.22061	0.4
287.17398	1.4
289.19025	3.0
289.21655	0.3
290.19498	0.3
295.20407	0.3
301.16537	0.3
301.21658	0.6
313.21573	0.4
325.09241	0.4
325.25226	0.3
327.23163	0.3
348.84116	0.2
351.71234	0.3
363.19064	12.8
364.19431	0.8
367.30283	0.3
377.20404	0.4
381.20105	2.8
383.15015	0.6
393.31458	0.4
394.17441	0.3
395.17807	0.5
395.29410	1.0
397.17477	1.1
405.31607	0.3
407.33105	0.5
413.30392	0.9
417.31567	0.4
423.32611	0.9
435.32587	1.5
441.21259	0.4
441.33484	1.1
453.33710	2.8
455.35126	0.5
471.34598	6.6
472.35156	0.5
473.36218	0.7
489.35672	66.8
490.35992	3.8
507.36697	6.4
510.29800	0.6
569.26135	0.5
570.26453	0.3
633.39496	0.4
651.37738	0.9
669.38214	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	669.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.2
53.22541	0.8
55.01852	2.2
55.05500	15.7
55.78873	0.9
57.03432	4.8
57.07063	12.0
60.63680	1.0
61.02911	3.4
65.03928	2.2
66.75994	0.9
67.05494	32.7
69.03419	8.2
69.07056	45.2
69.63990	6.6
69.64404	1.9
70.06594	2.0
70.24125	0.9
71.04977	3.7
71.08607	7.7
72.08160	1.3
73.02892	1.6
79.05479	22.3
81.03385	5.8
81.07043	87.1
82.07361	1.4
83.04967	3.3
83.08603	26.0
85.02896	32.2
85.06524	1.9
85.10164	2.1
86.09686	2.2
87.04468	0.9
91.03932	1.3
91.05457	14.7
93.07027	46.9
95.04947	5.7
95.08591	100.0
96.08941	1.5
97.02873	7.7
97.06553	4.3
97.10142	16.2
97.10711	1.3
98.28572	0.8
99.04433	2.6
99.08061	1.2
103.05451	1.6
105.04492	1.0
105.07011	23.9
105.46889	0.9
107.04910	1.7
107.08577	44.1
109.02859	3.6
109.06499	3.3
109.10139	64.0
110.10478	1.7
111.08071	3.8
111.11703	10.1
114.12811	5.9
115.03900	1.4
115.07623	0.9
117.06999	1.7
119.04901	2.4
119.08565	19.2
120.08077	1.4
121.06495	2.0
121.10123	41.3
123.04430	1.7
123.08057	11.1
123.11687	36.6
124.07631	0.8
125.09623	3.6
125.13261	8.2
127.03902	8.3
127.11152	1.8
130.08623	1.1
131.04915	1.7
131.08545	3.3
133.08943	1.4
133.10101	12.9
135.08034	1.6
135.11673	46.1
137.05969	7.3
137.09612	10.2
137.13228	26.0
139.11166	8.3
139.14819	1.6
143.08546	2.1
145.02838	2.3
145.04951	9.6
145.06117	1.3
145.10092	5.5
147.04408	7.5
147.08047	1.1
147.11662	20.8
148.11183	19.2
149.09587	2.4
149.13228	34.5
151.03912	1.5
151.07510	2.7
151.11150	1.7
151.14810	11.2
153.12741	4.9
155.10695	2.6
157.08832	0.9
157.10120	3.6
159.08061	1.6
159.11691	4.6
161.05916	1.6
161.09566	1.1
161.13246	10.8
163.03891	4.6
163.06000	4.5
163.07478	2.3
163.14787	23.6
165.12697	6.9
165.16386	5.6
167.07056	1.7
167.14330	3.3
171.11679	2.0
173.09538	1.0
173.13264	1.9
175.07567	2.0
175.11072	1.2
175.14748	5.4
177.05452	5.5
177.09033	3.3
177.16368	13.0
178.09560	0.9
179.10609	1.1
179.14284	1.5
179.18002	2.2
181.15836	1.1
183.13770	8.3
185.13269	1.2
187.14807	3.0
189.16422	7.6
191.17917	12.3
193.12193	1.8
199.11153	0.9
199.14728	1.2
201.16348	1.9
203.17955	6.6
205.19489	1.5
209.19040	2.1
213.16344	1.6
215.18004	0.9
217.19447	9.1
245.22775	1.1
247.24203	6.8
273.25723	46.0
279.26819	1.6
285.22137	1.2
289.19305	1.3
291.26767	35.9
309.27817	13.2
311.09705	1.2
325.11118	1.3
327.28867	5.7
333.11121	1.7
339.12250	2.1
365.13693	2.5
381.20160	2.7
383.14752	7.8
383.24918	0.9
383.29184	4.7
387.29129	1.1
399.28757	1.1
401.30228	4.3
435.31985	2.5
453.33401	3.4
471.34619	19.6
489.35776	17.7
507.36661	1.8
633.39722	2.7
669.36182	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	669.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01852	1.4
55.05236	1.1
55.05499	18.3
57.03418	3.5
57.07069	14.2
58.71099	0.8
59.04981	1.5
61.02899	3.2
61.60749	0.9
65.03924	2.2
67.01884	0.9
67.05493	35.7
69.03416	9.2
69.07058	46.3
69.99907	6.2
70.06570	1.6
70.07388	1.0
71.04971	5.4
71.08628	7.7
72.08131	1.2
73.02891	1.4
74.39378	1.0
74.98881	0.8
79.05476	24.5
81.03388	6.2
81.07044	97.8
83.04944	4.8
83.08157	1.7
83.08608	25.4
84.08119	1.2
85.02894	33.6
85.06530	2.6
85.10170	2.6
86.09692	2.2
89.03893	0.9
91.03925	2.0
91.05466	15.0
93.07033	46.7
95.04951	6.1
95.08593	100.0
97.02876	9.2
97.06528	4.9
97.10155	16.1
99.04441	1.7
99.08069	2.7
103.05406	2.0
105.07019	24.6
107.04929	1.9
107.08576	48.2
109.02883	5.9
109.06483	3.5
109.10143	59.8
111.04417	1.2
111.08068	5.3
111.11714	12.0
114.09151	1.5
114.12792	7.0
117.03403	1.9
117.06970	1.8
119.04915	2.0
119.08570	17.0
121.06467	1.7
121.09238	2.2
121.10126	44.6
123.08047	12.2
123.11691	40.3
123.12609	1.9
124.11991	1.3
124.28513	0.9
125.09607	4.1
125.13250	9.6
127.03893	8.7
127.11146	2.2
129.05502	1.7
130.08572	2.2
131.08553	3.1
133.10115	17.1
135.08022	2.1
135.11673	50.7
137.05956	6.6
137.09598	9.1
137.13226	28.0
139.11165	7.3
139.14766	1.3
143.08536	1.6
145.02904	1.7
145.04921	11.3
145.06161	1.1
145.10088	5.6
147.04375	5.6
147.07954	1.3
147.10539	1.8
147.11664	23.1
148.11165	15.2
149.09564	1.5
149.11499	2.0
149.13234	39.7
151.03903	1.9
151.07478	1.9
151.11110	2.0
151.14775	8.2
153.12755	5.3
155.08511	0.9
155.10684	2.1
157.10089	3.1
159.11655	4.8
161.06010	1.1
161.09613	1.7
161.13234	12.6
163.03935	5.4
163.05974	4.3
163.07471	2.0
163.11143	1.6
163.14790	21.8
165.12776	8.1
165.16423	5.4
167.10588	1.2
167.14320	3.5
167.80284	1.1
171.11671	2.2
173.13237	2.6
175.07523	1.9
175.11208	1.3
175.14789	7.1
177.05432	5.5
177.09082	3.5
177.16359	14.5
179.14325	1.5
179.17899	2.9
181.15874	2.2
183.12096	1.2
183.13754	8.6
185.13193	1.1
187.14844	1.9
189.09177	1.2
189.16383	7.9
191.17914	12.0
193.19513	1.4
199.14722	2.0
201.16341	1.0
203.17944	8.3
205.19507	1.1
207.06403	1.0
209.18968	2.3
211.14880	1.0
213.16383	1.1
217.15944	1.1
217.19478	10.1
233.22487	1.3
247.24179	6.6
261.25708	2.3
273.25739	47.0
279.26642	1.3
281.28348	1.2
291.26779	34.0
303.27402	1.1
309.27869	14.3
310.28168	1.1
311.09402	1.2
311.12952	1.1
327.29034	5.7
333.11099	2.4
339.12228	1.4
381.20148	1.4
383.14923	5.3
383.29367	4.2
399.28998	1.6
401.30441	3.9
405.29449	1.3
413.77267	1.1
435.31226	1.4
453.33502	2.9
471.34656	21.1
489.35712	18.5
507.36505	5.0
633.39453	3.5
669.35699	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	669.3636
Annotation	Myrtucommulone A
Peak:m/z	Relative Intensity
53.03951	0.3
55.05483	0.7
57.03417	0.4
64.23965	0.3
67.05490	2.0
69.03401	0.9
69.06726	0.4
69.07059	5.7
69.61614	2.2
69.62023	0.5
70.02914	0.3
70.06564	0.5
71.04966	0.7
79.05482	1.8
81.03392	1.0
81.07043	2.2
83.04935	0.5
83.08604	0.6
84.08127	1.6
85.02883	1.2
86.09692	17.8
91.05457	3.3
93.07025	3.0
95.04951	1.3
95.08604	1.5
97.02814	0.5
97.06503	0.5
97.10146	0.5
98.09686	0.5
98.20706	0.5
103.05447	5.3
105.07027	3.0
107.08567	1.7
109.02863	0.3
109.06474	0.6
109.10146	1.4
112.07590	0.6
115.05412	1.0
117.05762	0.4
117.06977	1.6
118.06525	10.3
119.04868	0.4
119.07342	0.4
119.08524	1.4
120.08086	46.6
121.06484	1.1
121.08444	0.7
121.10119	1.1
123.08018	0.4
125.05930	0.3
125.09593	0.4
126.09106	0.4
127.03910	0.5
129.06944	0.4
130.06497	2.4
131.04932	2.6
131.08553	0.8
132.08070	5.1
133.06451	1.2
133.08859	1.7
133.10117	0.9
134.09647	1.4
135.08029	0.7
135.11664	0.5
139.13496	0.3
141.64334	0.3
143.08524	0.4
143.10663	0.5
145.06465	2.4
145.10103	0.8
146.05975	1.2
146.09616	3.5
147.04391	0.8
147.08022	0.7
147.10458	0.4
147.11630	0.6
148.07533	0.9
148.11156	0.4
149.05954	1.5
149.09601	0.5
157.10120	0.4
159.07997	0.4
159.11670	0.6
160.07533	4.5
160.11224	0.6
161.05939	1.1
162.09148	3.0
163.07518	0.4
163.11209	0.5
170.06023	1.0
171.04356	0.6
171.11687	0.4
172.07570	0.5
173.05957	1.3
175.14928	0.3
176.14320	100.0
177.14697	3.4
178.08617	3.9
184.07373	0.3
184.29309	0.3
185.13237	0.5
187.14653	0.3
188.07043	4.4
188.14316	2.1
189.05501	0.8
190.08618	0.7
191.06975	1.3
205.09668	1.7
206.08092	1.1
206.09924	0.3
208.09666	0.6
216.06569	0.6
216.13824	0.8
223.10777	0.4
227.12953	0.4
228.13870	0.9
231.14934	1.1
234.07640	1.3
251.10280	0.7
256.13467	0.5
258.14905	0.8
259.14435	2.0
260.12814	0.5
273.15952	3.5
281.17569	0.4
290.11896	0.3
291.16974	2.5
301.15494	1.0
302.13934	1.8
318.18011	0.3
319.16440	1.6
347.15903	0.5
363.20734	0.5
365.22168	0.4
381.14508	0.4
409.20969	0.5
448.29410	0.3
449.28043	0.9
489.35785	0.5
494.22772	3.4
494.30087	2.7
556.28137	1.5
641.36835	9.5
642.37164	0.8
651.38367	0.3
669.36359	89.9
670.36713	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	669.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.07061	1.5
67.05484	2.5
69.07060	1.5
71.80146	1.1
77.18784	0.7
79.05487	0.8
81.07046	2.9
83.08614	1.1
85.06529	0.8
86.22050	0.6
86.32827	0.6
91.05466	1.9
93.07048	1.6
95.08607	2.6
105.06966	1.1
107.08590	1.4
108.31882	0.8
109.10122	1.7
114.07263	0.7
119.08550	1.1
119.30415	0.7
121.10123	1.6
123.11692	0.8
131.13876	0.6
145.10117	1.0
147.11671	1.0
149.13210	0.8
223.12271	0.7
237.14012	0.9
237.22144	1.2
238.14676	0.7
255.23169	0.8
311.25616	1.0
313.27365	1.3
343.41809	0.8
379.19531	1.0
391.19217	1.2
392.20291	0.8
393.20801	2.6
405.17130	1.1
407.22287	2.3
417.20679	1.4
418.17972	0.9
419.18570	0.9
420.19461	2.5
421.20236	6.0
422.21072	1.2
433.20453	2.1
434.16550	1.0
434.21646	1.6
435.21774	6.3
436.22446	4.6
437.23462	1.6
447.17639	1.2
448.18848	1.1
449.23831	5.3
450.24118	2.5
459.21671	1.0
461.19940	3.0
462.20435	1.1
463.20587	13.8
464.21570	1.2
473.23706	1.9
475.21301	2.2
476.22214	4.3
477.22958	1.6
485.37787	0.8
489.19177	0.8
490.23590	1.4
491.24014	2.8
493.22714	1.2
495.23541	9.2
502.64316	0.9
505.25851	1.3
507.24255	4.4
508.24933	1.3
521.25421	2.4
522.25854	3.6
523.27051	31.9
524.27545	3.0
531.23639	1.5
532.24548	2.6
533.25507	1.0
535.23499	2.6
549.24689	3.7
550.25555	6.1
551.26465	2.2
553.24170	0.9
564.27368	2.2
565.27637	1.4
567.26166	3.0
577.24341	3.3
578.25214	1.0
581.27625	1.2
582.28241	32.7
583.28723	1.9
591.25958	1.4
609.27020	12.8
610.27771	1.6
637.26758	7.4
638.26978	0.9
651.28076	3.9
658.93457	0.9
669.29095	100.0
670.29437	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	668.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01863	0.8
55.05504	5.6
55.07584	0.5
57.03430	10.9
59.05008	2.8
59.88791	0.5
65.03921	1.2
67.05495	54.7
68.05827	0.8
69.03401	2.1
69.07064	2.9
70.34307	0.5
71.04989	2.9
73.02882	0.9
79.05482	6.9
81.03408	44.7
81.07045	12.8
81.60269	0.6
82.03706	0.7
83.04970	2.7
83.08606	13.0
85.02872	1.9
85.06520	2.1
91.05458	11.2
93.07035	6.6
95.04955	14.4
95.08585	6.4
97.02849	1.8
97.06515	1.3
97.10125	1.2
97.31797	0.5
98.21477	0.8
99.08070	0.7
105.06389	0.9
105.07018	6.7
107.04948	2.8
107.08554	3.5
109.06480	2.1
109.10144	59.8
110.10463	1.4
111.04383	1.4
111.08077	7.8
115.05399	0.8
117.06991	1.0
117.73659	0.5
119.04918	0.9
119.07257	0.7
119.08574	12.0
120.08078	1.3
121.06469	1.6
121.10131	3.4
123.04418	0.6
123.08073	1.2
125.05972	0.7
125.09608	1.4
125.81582	0.5
127.11163	0.7
129.06990	5.1
131.08551	4.6
133.06461	1.5
133.09018	0.8
133.10097	4.2
134.09641	12.9
135.08025	0.9
135.11671	1.1
137.09587	4.2
139.11118	0.7
142.07707	0.8
143.08467	0.5
145.10091	1.7
147.04396	1.0
147.08032	2.0
147.11679	3.7
148.11168	8.1
149.09662	3.2
149.11543	3.4
155.10640	3.9
157.10141	6.8
159.11679	0.6
163.11192	0.8
164.10550	0.5
165.07814	0.5
165.12753	1.2
173.11726	17.1
173.13242	0.8
175.11165	5.0
193.12222	17.1
193.13980	1.1
204.10170	1.2
205.12135	0.9
211.13257	1.6
216.10175	0.6
225.37314	0.6
229.14331	80.6
230.14648	1.3
233.12784	0.9
233.16470	2.2
249.14804	0.8
261.15918	1.0
267.15887	75.2
268.16162	1.7
279.83472	0.5
283.20535	0.7
289.19025	0.6
290.19296	0.5
301.14279	0.6
309.37314	0.5
311.19910	0.8
329.21152	1.9
347.22012	1.4
350.22540	0.6
380.19583	1.2
403.24744	10.6
408.19037	1.7
421.25803	100.0
422.26147	3.9
463.26935	1.6
496.37720	2.2
505.28192	0.8
517.28149	0.9
529.27612	1.2
547.28845	1.7
668.39423	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	668.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.1
60.00194	0.1
70.06563	0.3
71.07320	0.1
79.05463	0.2
91.05441	0.8
93.07023	0.1
103.05424	0.2
104.06200	0.1
105.06309	0.1
105.07010	2.2
117.06987	0.1
118.06512	0.1
120.08096	0.9
122.06049	0.1
122.97884	0.1
130.06479	0.1
132.08069	0.6
133.08839	6.8
144.08018	0.1
145.06383	0.1
146.09567	0.2
147.04356	0.1
147.10432	0.1
148.11172	100.0
149.11542	1.0
150.05423	0.4
151.06203	0.2
165.10211	0.1
171.10417	0.7
172.11182	0.3
173.06012	0.5
175.07445	0.1
190.08600	0.6
191.08682	0.1
202.08510	0.5
208.30322	0.1
215.11763	0.1
219.11249	0.3
231.18530	0.1
247.18007	6.4
248.18259	0.2
275.17480	10.1
276.17838	0.1
284.49014	0.1
349.15396	0.2
366.18063	0.9
394.17538	2.2
395.17651	0.1
421.39481	0.1
434.43515	0.1
463.73099	0.1
668.34302	4.1
669.34454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4037
Annotation	Bellericoside
Peak:m/z	Relative Intensity
53.03938	0.8
55.01860	0.7
55.05493	3.3
55.10151	0.4
57.03424	1.7
57.07053	0.7
59.04977	0.9
59.06971	0.3
60.08142	0.9
61.02909	7.9
65.03917	0.7
65.67364	0.3
66.83394	0.4
67.05486	4.9
69.03413	3.9
69.07050	4.0
70.06579	0.7
70.69796	0.3
71.04986	3.3
71.80099	0.5
72.08135	0.6
73.02913	2.6
79.05472	3.9
81.03400	2.1
81.06590	0.6
81.07040	8.5
82.69701	0.4
83.04500	0.5
83.04963	8.5
83.08598	1.5
85.02889	9.7
85.06513	0.9
91.03938	3.9
91.05451	6.1
93.07029	9.3
93.07585	0.3
95.04954	3.1
95.07980	0.8
95.08586	13.3
96.08909	0.4
97.02872	5.7
97.06492	1.9
97.10154	0.6
99.04436	1.5
99.08073	0.7
103.05458	0.5
105.07015	12.8
107.04939	0.9
107.08572	9.0
109.02847	1.4
109.06507	3.4
109.10136	7.8
111.04432	0.8
111.08054	2.9
111.11629	0.4
113.05967	1.0
113.09621	1.4
115.03934	0.5
117.03327	0.6
117.06973	2.0
119.04845	0.5
119.08556	9.0
120.08067	0.9
121.06470	2.1
121.10111	6.6
122.07300	0.5
123.08039	7.0
123.11690	3.5
125.06010	0.4
125.09599	2.3
127.03898	2.8
127.11211	0.4
128.06187	0.7
129.06998	1.0
131.04871	0.8
131.08546	6.2
132.08031	0.8
133.06493	0.4
133.08844	8.0
133.10095	8.5
134.09610	0.5
135.04379	0.8
135.08043	1.7
135.11653	4.4
137.05969	1.2
137.09586	21.9
137.13214	0.6
139.11176	0.7
141.06920	0.7
141.09059	3.4
142.07765	0.7
143.08551	3.0
144.09245	0.4
145.02818	1.3
145.04945	1.2
145.06450	1.0
145.10088	7.1
147.04355	3.0
147.08006	1.0
147.11646	5.5
148.11176	100.0
149.09612	1.7
149.13216	2.3
151.03883	1.0
151.11166	1.4
151.14706	0.4
155.08545	1.5
156.09270	0.7
157.10112	5.3
158.10806	0.4
159.08020	1.4
159.10168	1.5
159.11662	6.5
161.09587	1.3
161.13239	3.6
163.03894	5.6
163.06082	0.5
163.07480	0.5
163.11153	1.8
163.14780	1.1
165.05579	0.4
165.12733	0.8
167.07103	0.6
167.08528	1.0
167.10609	0.4
169.10153	2.0
171.08076	0.7
171.10367	0.6
171.11668	3.8
173.05942	0.4
173.09595	1.4
173.13165	3.0
175.11153	1.1
175.14758	2.4
177.05426	1.6
177.09108	0.5
177.12697	1.2
177.16365	0.6
179.10654	2.0
181.04887	0.4
181.10098	0.9
183.10139	0.8
183.11650	2.1
185.09546	1.1
185.13197	3.7
187.11143	1.4
187.14790	2.5
189.12729	0.8
189.16385	1.1
191.10655	0.6
191.14249	0.4
191.17946	0.6
193.10167	0.4
193.12193	0.4
195.11662	1.1
197.13213	2.2
199.11075	0.8
199.14754	3.3
201.12666	1.1
201.16367	4.9
202.08627	0.6
203.14290	0.8
203.17883	1.0
205.15857	0.9
207.11583	0.5
209.13213	1.2
211.11183	0.5
211.14781	1.5
213.12636	1.2
213.16330	1.8
215.14218	1.1
215.17915	1.3
217.15794	0.5
217.19473	0.5
219.13663	0.7
221.13176	0.5
223.14848	0.7
225.16273	0.9
227.14215	0.6
227.17896	0.9
229.12451	0.6
229.15878	0.8
229.19571	0.5
233.15311	0.6
237.16310	0.9
239.14307	0.6
239.17973	1.1
241.15790	0.4
241.19495	2.0
245.15430	0.4
247.18021	4.2
248.11916	0.5
251.14436	0.5
251.17859	1.1
253.15854	0.5
253.19537	0.9
255.17514	0.6
257.19135	0.4
259.20520	4.2
261.19553	1.1
262.19998	0.5
269.19107	0.6
271.17175	0.7
271.20459	0.6
273.18573	0.4
275.17493	7.1
279.21008	0.8
281.18939	0.4
281.22562	1.4
283.20532	0.4
287.19955	0.5
289.19446	0.5
289.25342	0.5
291.20901	0.9
295.20346	0.5
297.18448	0.5
297.22037	1.1
299.23700	0.7
307.20401	0.5
309.18866	0.6
309.22046	2.1
311.23502	0.4
315.19431	0.7
325.21573	0.4
327.23123	1.3
337.25223	1.1
349.25229	1.4
353.24484	0.4
355.22653	0.6
361.25186	0.7
363.26666	0.7
365.24429	0.6
366.17966	0.6
367.26245	4.0
373.23737	0.5
379.26315	1.2
381.27850	1.4
393.27887	0.9
394.17505	2.8
397.27310	0.4
399.28854	1.1
405.31476	0.5
411.28796	1.1
421.30844	1.9
423.32883	1.8
433.31049	1.9
439.31900	4.4
451.32001	7.6
457.33090	6.7
469.33069	16.0
470.33551	0.6
487.34161	12.9
488.34286	0.9
505.35202	11.1
506.35294	0.4
631.38501	1.8
649.39386	14.3
650.39478	0.9
667.40417	9.6
668.33905	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	667.4041
Annotation	Quadranoside II
Peak:m/z	Relative Intensity
53.03919	1.1
55.01849	0.9
55.05491	5.4
57.03423	3.0
57.07053	1.8
59.04988	1.0
61.02913	5.3
61.41203	0.8
65.03907	1.2
65.58566	0.8
67.05487	8.1
69.03423	10.5
69.07047	4.2
69.45034	10.6
70.06549	1.0
71.04981	17.0
73.02906	1.9
79.05480	6.5
80.18782	0.9
81.03410	5.4
81.07042	16.2
83.04966	2.0
83.08622	4.3
85.02892	27.9
85.06518	3.3
91.03949	1.2
91.05465	8.7
93.07018	14.3
95.04940	4.7
95.08590	18.4
97.02869	10.6
97.06504	3.2
97.10158	2.0
99.04389	1.2
99.08097	4.3
105.07017	22.3
107.08574	28.4
109.02848	4.0
109.06522	4.3
109.10137	17.0
111.08078	2.3
114.09070	1.1
117.06982	2.5
119.08561	24.2
121.06541	4.5
121.10121	22.5
123.08047	4.8
123.11678	6.1
125.09603	17.6
127.03897	7.2
127.07511	2.7
127.11165	3.4
129.06952	1.8
130.07677	1.0
131.04886	0.9
131.08537	10.5
133.09009	1.7
133.10106	16.0
134.09598	1.8
135.08015	8.2
135.11662	6.9
137.09618	8.7
137.13223	1.2
139.11174	1.4
143.08527	3.7
143.10654	20.6
145.04924	2.4
145.10103	24.4
147.04405	1.6
147.08002	3.2
147.11662	14.8
148.11182	22.9
148.12350	1.4
149.09616	15.3
149.11519	7.3
149.13231	5.9
151.07513	1.2
151.11145	3.1
157.10086	8.0
159.11659	14.6
161.09596	6.0
161.13243	8.5
163.11172	3.2
163.14780	2.9
165.12785	1.0
167.14302	2.1
169.10051	2.1
171.11650	6.8
173.09627	0.9
173.13216	15.5
175.11266	2.4
175.14787	20.0
176.15089	0.9
177.05391	2.0
177.12711	1.1
177.16272	4.0
183.11671	3.3
185.13274	4.5
187.11221	1.3
187.14792	9.5
189.12715	6.0
189.16370	3.4
191.14282	4.9
193.15836	1.7
197.13188	2.1
199.14771	6.7
201.12697	1.7
201.16338	5.2
203.14265	2.3
203.17926	2.3
205.15802	1.6
211.14830	3.1
213.16269	5.0
215.14258	5.0
215.17908	1.2
217.15860	13.1
219.13785	2.7
219.17427	2.8
221.15279	5.3
223.14772	1.2
225.16312	1.3
227.17899	2.3
229.15807	1.3
229.19487	1.0
231.17424	10.8
233.18802	1.0
235.16899	3.1
237.14708	2.3
239.17821	1.6
241.19423	2.1
242.09660	0.8
243.17433	1.3
245.15486	1.5
245.18901	1.0
247.17079	0.9
249.18454	2.3
257.18863	1.4
259.20508	0.9
260.10098	1.3
261.19409	1.3
262.19901	1.2
265.19373	1.4
265.62686	0.9
271.20294	1.2
285.22110	1.1
289.19028	1.3
290.19373	1.4
319.24243	1.5
325.25351	1.3
335.27258	2.3
337.25009	1.3
343.26328	2.0
345.24469	1.3
353.28326	3.2
363.27057	1.3
378.18277	0.9
379.18610	1.1
381.27875	3.5
399.28879	1.4
405.31311	10.7
407.33002	2.6
423.32501	34.9
425.34003	3.1
433.31073	5.0
441.33569	38.3
451.31958	14.2
452.22232	1.1
457.32956	1.0
469.33163	15.5
487.34235	8.0
561.34015	2.1
631.38245	9.3
649.39362	100.0
650.39532	2.9
667.39014	1.7
674.48663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86384	0.3
64.01357	0.3
67.05453	0.8
69.03384	0.6
69.07009	1.3
70.06554	0.6
71.52878	0.6
75.01937	0.3
81.03388	0.8
83.04970	0.5
84.08088	0.5
85.02854	1.0
86.09636	0.4
89.03821	0.3
91.05418	0.6
93.07011	0.4
94.06525	1.5
95.04922	0.5
96.08064	0.4
97.02840	0.7
98.32722	0.3
105.06953	0.4
106.06487	0.8
107.04914	0.4
107.08485	0.4
108.08057	0.5
109.02848	0.5
109.10098	0.4
112.07555	0.4
114.09068	0.5
116.06992	0.4
119.04898	0.7
120.07985	0.4
122.06000	3.9
124.78339	0.3
127.03848	1.0
130.08595	1.1
134.05966	0.8
135.04416	0.6
136.07547	7.7
137.05907	1.5
138.05406	1.1
140.07042	6.8
144.22839	0.4
145.02820	0.9
145.04991	0.4
146.06015	1.9
146.09572	1.3
147.04373	1.6
148.07549	1.7
148.10991	0.4
149.05841	0.3
150.09105	0.4
151.07530	0.4
152.06995	1.5
154.04958	0.6
162.05450	0.7
162.09061	0.6
163.03877	2.7
164.07040	15.7
165.07486	0.4
166.07259	0.6
166.08597	8.3
167.07010	0.5
167.54385	0.3
172.03893	2.1
174.05507	2.3
175.14877	0.4
176.07045	3.1
177.05403	1.2
178.08545	0.5
181.04994	0.4
182.04420	0.3
190.04929	0.5
191.42195	0.4
192.06606	0.5
197.10751	0.7
204.06499	4.1
206.08040	1.2
207.06445	0.4
210.11446	1.5
211.12218	0.6
213.10187	0.4
218.08157	0.7
221.10634	0.7
222.11458	1.1
223.12224	1.2
224.13025	0.6
225.10170	0.8
225.13780	0.6
227.11700	0.7
235.08556	1.0
235.12288	1.5
236.09364	0.4
236.12970	0.8
237.10201	4.3
237.13824	1.9
238.10916	2.2
239.11739	3.3
246.07533	0.4
247.12213	0.7
248.09387	2.4
249.10175	3.9
250.10947	3.4
251.11755	8.2
252.12434	1.6
253.09460	0.5
253.13359	2.1
255.11087	0.5
261.12195	0.7
262.10919	0.6
263.08847	0.6
263.11755	18.2
264.08817	1.1
264.12439	3.2
265.09711	5.1
265.13312	19.8
266.10529	0.7
266.13986	2.5
266.71365	0.3
267.11169	1.5
268.12170	0.5
269.12823	2.0
270.13538	0.4
270.78757	0.4
271.14392	0.9
275.11734	0.5
277.09668	2.8
277.12613	0.6
278.10522	1.9
279.11221	22.7
280.11847	1.9
281.12714	1.8
282.13489	1.7
283.10770	1.0
283.14392	1.2
284.11484	0.6
285.12393	1.1
287.05386	0.6
287.13965	1.8
291.11230	5.5
292.11938	2.0
293.12701	5.2
294.10150	0.4
294.13498	1.1
295.10773	4.5
295.13971	0.6
296.11563	1.6
297.12280	14.3
298.12912	1.9
302.70331	0.4
305.14832	0.6
309.12283	43.3
310.13016	16.6
310.16724	0.5
311.13809	13.7
312.11060	0.7
312.14572	2.1
313.11746	1.6
313.15424	1.2
319.10727	4.4
320.11234	0.6
321.12265	1.6
323.10153	0.7
323.15952	0.9
325.11819	0.8
327.13464	1.6
327.16922	0.4
331.12915	0.6
337.11771	52.4
338.12497	19.8
338.16754	0.5
339.13318	9.3
340.13901	0.5
341.14960	0.5
345.14410	2.0
351.13190	0.7
369.14395	46.0
370.15076	11.5
371.15936	7.4
390.17978	0.7
398.14822	0.5
399.15948	1.1
400.16455	1.5
401.13409	1.5
406.17545	0.4
414.18329	0.5
416.16232	0.8
417.16687	0.4
418.17554	0.7
434.16696	0.8
436.18130	0.4
442.17102	0.4
450.20236	1.4
452.21729	15.4
453.22113	0.9
458.17267	2.1
459.17606	0.7
460.18570	0.5
476.18198	1.4
478.19681	18.4
479.20053	1.2
484.21036	0.6
494.19147	1.5
496.20795	4.7
497.20761	0.5
510.22299	100.0
511.22629	9.1
575.24994	1.6
599.24847	5.1
617.25677	3.8
618.25415	0.6
631.27820	1.6
635.27008	11.9
636.27380	1.1
649.28546	0.7
667.29797	4.5
668.28656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28268	0.4
67.05458	0.6
69.07009	1.3
70.15115	1.6
70.15544	0.8
72.08112	0.6
81.35182	0.4
85.02853	0.6
89.48901	0.4
91.05450	0.4
91.43562	0.4
93.06966	0.4
94.06512	1.9
94.33691	0.4
98.21358	0.5
105.91599	0.5
106.06470	1.7
108.08078	0.7
110.05980	0.9
112.07554	0.8
120.04420	0.5
122.06040	5.7
134.05930	0.8
136.06575	0.6
136.07559	10.2
137.05919	0.6
138.05429	1.0
140.06024	0.6
140.07042	11.1
146.06018	3.3
146.09541	1.4
148.07553	4.1
150.09071	0.6
152.07016	1.7
162.05432	0.8
163.03813	0.7
164.07048	21.8
165.07333	0.5
166.08618	17.9
172.03935	3.2
174.05516	4.2
176.07043	5.9
177.05408	0.4
187.08572	0.6
190.04927	1.5
191.05659	0.7
192.06583	1.1
204.06548	3.8
206.08020	1.2
209.07909	0.5
209.10661	0.8
210.11502	1.5
211.12244	1.5
213.10060	0.5
215.11783	0.5
218.08049	0.9
221.10719	1.2
222.11417	1.2
223.12248	1.8
224.13078	0.9
225.10217	1.3
225.13733	0.8
227.11641	0.9
235.08678	1.0
235.12332	2.6
236.09052	0.6
236.12973	1.0
237.10182	6.0
237.13708	2.8
238.10896	3.7
239.11777	7.0
240.12404	0.6
243.11174	0.9
246.07570	0.8
247.12303	0.7
248.09328	2.5
249.10159	5.1
249.14024	0.5
250.10994	4.7
251.11763	10.4
252.12398	2.1
253.13303	3.2
255.11247	0.7
259.10754	0.6
261.12424	1.6
262.07077	0.5
262.11118	0.6
263.11771	18.2
264.08759	1.0
264.12427	4.0
265.09717	6.2
265.13318	33.1
266.10574	0.8
266.13882	3.4
267.11197	2.4
267.14780	0.7
268.12064	0.6
269.12903	2.5
270.13559	0.9
271.14349	1.5
275.11630	0.6
276.08755	0.6
277.09702	4.8
277.13327	1.3
278.10382	2.3
279.11243	43.2
280.11765	3.3
281.12869	2.5
282.13654	1.2
283.10992	0.8
283.14352	1.7
284.11450	0.7
284.14935	0.4
285.12299	1.3
287.13956	4.8
291.11276	7.0
292.12045	2.4
293.12802	8.1
294.13370	2.3
295.10730	6.7
295.14297	1.3
296.11539	2.0
297.12305	21.1
298.13019	3.3
299.13742	1.2
305.14938	1.3
309.12299	49.6
310.13040	22.4
310.16772	0.7
311.13846	24.5
312.14609	4.6
313.11734	3.4
313.15366	2.7
314.12662	0.7
315.13446	0.7
319.10718	8.2
320.11295	1.1
321.12338	2.7
323.10217	0.9
323.16119	2.3
324.10880	0.9
325.11813	1.7
331.12897	1.5
337.11780	100.0
338.12476	32.7
338.16791	0.7
339.13318	21.2
340.13852	1.8
341.15192	0.7
344.17480	0.5
345.14426	2.0
355.13010	0.6
356.14081	0.6
357.14359	1.0
358.15271	1.0
369.14450	24.1
370.15082	6.0
371.15948	12.9
372.16425	1.2
375.15729	0.7
388.16653	0.5
398.14951	0.9
399.15469	1.7
400.16629	2.1
401.13278	4.4
414.18002	0.5
416.16101	1.8
417.16650	1.0
418.17358	1.0
430.17737	0.6
434.17117	1.7
436.18225	0.6
438.20425	0.7
440.15887	0.5
446.20953	0.5
450.20230	1.7
452.21756	40.4
453.22153	3.8
458.17050	2.5
459.17773	0.9
460.18381	0.7
476.18198	3.8
477.18976	0.8
478.19699	47.8
479.19876	4.2
480.21112	0.8
494.19113	3.8
495.19879	0.9
496.13953	0.9
496.20786	11.0
497.21472	1.0
510.22336	66.3
511.22632	7.1
575.24811	2.7
591.27655	0.8
599.24915	6.6
600.25122	1.2
607.27795	0.9
617.26080	7.6
618.25928	1.0
631.28296	1.0
635.27063	25.9
636.27026	3.5
649.28748	1.0
667.29633	7.8
668.30444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13223	0.8
62.90947	0.9
64.00990	0.8
69.07047	1.2
70.97001	1.3
70.97342	1.6
82.32603	0.9
85.19485	0.8
87.67234	0.8
90.03969	0.8
90.04509	0.9
92.20226	0.8
94.06552	1.2
106.06551	1.0
122.05984	6.1
136.07552	7.2
140.07027	10.3
146.05989	2.6
146.09595	1.1
148.07564	3.7
152.07033	1.8
164.07045	18.0
166.08611	15.4
172.03946	2.0
174.05486	3.1
176.07065	4.4
204.06517	3.7
206.08067	1.1
211.12198	1.3
218.08281	1.0
222.11475	0.9
223.12212	1.2
235.08620	1.6
235.12280	1.5
236.13063	1.0
237.10178	5.1
237.13814	2.5
238.11000	3.5
239.11711	6.5
246.07466	1.1
248.09373	1.5
249.10197	3.0
250.10986	3.6
251.11737	9.8
252.12506	1.6
253.13316	2.9
261.12360	1.4
263.11792	15.7
264.12451	3.9
265.09787	5.9
265.13336	26.8
266.13879	2.4
267.11282	1.4
269.12805	1.3
271.14313	1.3
277.09750	4.8
278.10501	1.7
279.11234	35.1
280.11969	2.2
281.12921	2.2
282.13669	1.0
283.14615	1.1
287.13882	3.5
291.11258	6.8
292.11960	1.4
293.12854	6.3
294.13559	2.0
295.10733	4.8
295.13678	1.0
296.11493	1.8
297.12292	18.0
298.12881	1.2
305.14822	1.4
309.12277	46.1
310.13031	20.9
311.13843	25.4
312.14606	3.3
313.11838	3.6
315.13248	0.9
319.10654	6.5
321.12247	3.7
321.37790	1.0
323.16000	1.4
325.11676	1.2
337.11777	100.0
338.12512	32.8
339.13370	18.5
345.14462	2.2
357.14453	1.4
369.14413	24.0
370.15253	5.8
371.16006	11.1
399.15512	1.2
400.16690	2.2
401.13419	2.9
418.17816	1.3
434.16873	1.8
450.20334	1.1
452.21722	38.0
453.22089	1.1
458.17099	3.1
476.18109	3.3
478.19647	45.0
479.19943	1.8
494.19131	3.4
496.20721	9.2
510.22314	66.7
511.22531	1.5
527.97473	0.9
575.24707	2.9
599.24976	6.6
617.25861	5.8
631.27441	1.1
635.27014	21.5
667.29517	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	666.3635
Annotation	Amphibine B
Peak:m/z	Relative Intensity
56.05028	0.2
68.05015	0.2
69.05786	0.1
69.07039	0.1
70.06587	1.1
71.07346	0.1
71.31096	0.1
71.31435	0.1
76.96030	0.1
79.05490	0.1
81.07050	0.1
91.05450	0.7
93.07030	0.1
103.05451	0.2
104.06220	0.1
105.07018	2.0
106.06572	0.1
109.10149	0.1
115.05424	0.1
116.06213	0.1
117.07005	0.1
118.06510	0.2
120.08088	3.8
127.11142	0.1
131.07285	0.1
132.08052	0.7
133.08850	6.7
134.05989	2.2
135.06784	0.6
144.08052	0.1
146.09593	0.2
147.10413	0.1
148.11183	100.0
149.11531	1.1
159.08052	0.1
163.08676	0.1
172.11282	0.1
174.09146	1.0
186.09137	0.5
187.14874	0.1
193.17839	0.1
203.11797	1.2
227.12886	0.1
261.19589	8.0
262.19864	0.2
281.12878	0.1
289.19064	10.6
290.19418	0.2
296.68155	0.1
350.18573	1.7
351.19238	0.1
378.18069	7.1
379.18353	0.2
666.36377	1.6
667.36108	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	667.296
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64292	0.5
67.05494	0.6
69.07045	1.4
71.33909	1.3
81.07033	0.9
84.65964	0.4
85.89612	0.5
94.06571	1.0
106.06548	0.8
108.08094	0.6
122.06009	5.3
134.06065	0.9
136.07547	9.0
138.05507	0.9
140.07037	6.9
146.05994	3.1
146.09645	0.9
148.07571	2.2
152.07033	1.4
152.57198	0.5
154.79251	0.5
162.09113	0.8
164.07037	15.7
166.08614	11.1
172.03940	2.1
172.07672	0.6
174.05472	2.2
176.07033	4.1
190.04973	0.9
200.69283	0.5
204.06560	4.7
206.08195	1.7
209.10736	0.7
210.11539	1.9
211.12236	1.1
218.08167	0.7
221.10793	0.9
222.11487	1.5
223.12312	1.8
224.13089	1.0
225.10199	1.0
225.13742	1.0
235.08730	1.1
235.12270	1.6
236.09201	0.6
236.12883	0.9
237.10159	5.3
237.13953	1.6
238.10931	3.1
238.14485	0.6
239.11781	5.2
243.11143	0.9
248.09355	2.8
249.10161	4.8
250.11014	4.0
251.11795	8.3
252.09769	0.5
252.12480	1.4
253.13322	1.7
255.11264	0.8
261.12405	0.9
262.11105	0.7
263.11731	17.2
264.09579	0.5
264.12396	3.5
265.09814	4.4
265.13367	22.5
266.13928	1.9
267.11288	1.8
268.12073	0.9
269.12833	1.7
271.14407	1.2
277.09714	3.6
277.13025	1.0
278.10400	2.1
279.11227	29.4
280.11865	2.5
281.12769	1.8
282.13486	1.8
283.10779	1.3
283.14343	1.6
287.13937	2.3
291.11243	6.5
292.11960	1.5
293.12811	6.0
294.13458	1.1
295.10818	4.5
295.14108	1.0
296.11472	2.3
297.09128	0.6
297.12274	17.5
298.12955	2.0
299.13644	0.9
303.13370	0.7
305.14822	0.9
309.12277	46.6
310.13000	18.8
311.13821	14.8
312.14560	2.7
313.11810	2.1
313.15182	1.3
315.13089	0.8
319.10666	5.7
320.11340	0.8
321.12177	1.8
323.10355	0.8
323.16238	0.7
330.15952	0.6
337.11765	59.5
338.12488	21.3
339.13324	11.0
345.14474	1.9
355.12872	1.1
369.14398	37.1
370.15012	8.2
371.11386	1.1
371.15866	8.7
374.14825	0.6
399.15732	1.2
400.16357	1.4
401.13324	1.7
417.16776	1.0
418.17285	0.8
434.16855	1.3
450.19977	1.4
452.21747	19.9
453.22324	0.9
458.17050	2.0
459.17520	0.8
476.18176	2.3
478.19662	20.7
479.19937	1.4
480.21347	0.6
494.19260	2.3
496.20743	3.7
510.22293	100.0
511.22717	7.4
547.61890	0.7
575.24683	1.8
599.24896	4.8
617.25824	5.6
618.25983	0.8
631.27283	1.8
635.26868	14.5
636.27319	1.6
667.29626	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	665.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01867	12.6
55.05502	28.2
57.03430	10.5
57.07058	2.9
59.04984	4.7
61.02900	1.9
65.03932	3.2
67.05495	100.0
68.31770	1.1
69.03421	25.2
69.07064	23.6
70.06574	1.4
71.01331	2.1
71.04979	7.8
71.78795	1.4
73.02925	1.4
75.04460	1.1
75.76116	1.3
77.03860	1.1
79.05480	37.9
81.03408	47.2
81.07045	56.2
83.04966	18.6
83.08613	17.3
85.02901	10.7
85.06523	3.9
91.05468	43.0
93.07027	39.6
95.01341	1.9
95.04951	12.8
95.08599	31.8
97.02884	14.5
97.06517	17.9
97.10150	13.0
99.04438	5.7
99.08074	2.8
103.05453	1.9
105.07016	34.0
107.04926	12.7
107.08583	30.0
109.02857	14.7
109.06482	8.6
109.10144	68.6
111.04439	8.9
111.08047	5.0
113.06030	1.1
115.05470	3.2
115.93788	1.0
117.07019	14.8
119.08566	35.7
121.06492	6.8
121.10125	14.7
123.08020	7.4
123.11697	4.7
125.09621	15.8
127.03912	12.6
128.06209	2.1
129.05516	5.7
129.06973	8.2
131.04909	1.2
131.08553	23.5
133.06461	3.3
133.10106	22.9
135.08046	8.7
135.11682	6.7
137.09598	9.0
139.11197	1.4
141.06952	3.8
143.08534	8.4
145.06458	3.1
145.09016	0.7
145.10112	19.9
147.04420	3.6
147.08041	3.7
147.11649	16.7
149.09612	16.0
149.13271	4.4
151.07471	1.3
151.11183	3.1
153.09102	2.0
155.08524	3.3
155.10643	4.1
157.10138	9.2
159.07994	2.9
159.11661	14.7
161.09590	4.5
161.13263	5.8
163.11188	6.9
163.14847	1.6
165.07036	1.4
165.09077	1.9
165.12737	2.6
169.10098	5.2
171.08044	2.1
171.11684	6.1
173.04488	7.7
173.09627	2.8
173.11732	19.5
173.13237	6.7
175.11195	3.7
175.14774	1.5
177.12752	3.1
179.14279	1.5
181.10081	3.0
183.11705	4.1
185.09688	1.4
185.13283	3.5
187.11177	4.3
187.14803	3.1
189.11205	11.2
189.12688	2.0
191.14378	1.8
195.11754	1.2
197.13194	5.4
199.11223	1.5
199.14795	2.2
201.12712	1.4
203.14236	1.5
203.74963	1.4
205.12274	1.6
209.13322	1.6
211.13173	2.3
211.14987	1.8
215.14316	1.3
227.12703	12.0
229.14282	26.2
229.19389	3.5
239.17889	4.1
245.13747	2.7
247.20564	4.4
257.18936	11.5
259.20541	2.1
275.20035	55.2
276.20383	2.0
277.21625	2.1
293.21133	6.4
299.14914	7.4
299.20108	2.6
337.16522	1.8
349.23727	28.1
355.17435	4.9
355.21588	1.3
365.21146	2.7
371.16968	1.7
373.18533	18.8
383.21976	2.7
387.32458	1.5
401.23236	2.0
419.24191	3.4
429.29868	1.6
445.29071	1.2
475.27335	1.3
475.33905	2.3
485.32620	6.6
493.28134	2.1
503.33640	44.8
521.34912	5.6
557.35486	1.4
567.31012	3.1
569.34601	1.3
573.34436	1.8
611.35651	3.5
629.36505	4.2
647.37854	34.0
648.38098	1.9
665.38940	24.6
666.39539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
55.01849	0.3
66.73115	0.3
67.05489	1.1
68.05010	0.7
69.03419	0.7
69.07059	4.6
69.36422	0.3
69.78682	1.5
69.79111	0.9
79.05481	0.4
80.05013	0.5
81.03393	0.5
85.02914	1.0
85.06525	0.3
89.03916	0.3
91.05460	0.5
93.05781	0.5
93.07027	0.4
94.06557	5.8
95.04942	0.9
100.11237	0.7
106.06519	0.8
108.08090	2.2
109.02869	0.4
110.06031	0.8
112.07605	1.1
116.04963	0.9
118.06549	0.6
119.04953	0.3
120.04427	0.5
120.08098	0.9
121.05233	0.6
122.06017	22.1
123.04432	1.1
124.07642	0.3
127.03879	0.4
133.05185	0.3
134.06018	1.2
135.04350	0.4
136.07518	0.4
137.05988	0.6
140.07048	33.7
141.07422	0.4
143.08650	0.3
144.04422	1.9
145.05090	0.6
146.05991	11.7
147.06822	0.9
148.07545	2.6
148.11189	0.5
149.05942	0.4
152.07069	0.9
154.08629	0.4
160.07571	1.2
162.05481	2.0
163.03874	0.4
163.06230	0.7
163.11118	0.4
166.08725	0.5
167.07027	0.4
172.02412	0.6
172.03922	15.6
173.04716	1.6
174.05487	16.2
175.06104	0.5
176.07045	9.6
177.05412	1.0
177.07788	0.6
178.08644	0.7
185.07211	0.4
185.10707	0.3
186.09169	0.4
187.12340	0.9
188.07053	0.7
190.04953	3.6
191.05733	2.2
192.06526	1.3
196.07640	0.4
197.07007	0.4
197.10719	1.0
198.09160	1.0
199.08690	1.4
200.09407	0.6
201.10178	1.1
202.08553	0.4
204.06541	32.3
205.07027	0.6
206.08092	10.4
209.10732	0.4
211.08670	1.2
211.12296	0.8
212.07048	0.4
212.09224	0.8
213.10150	2.8
214.08774	0.4
214.10913	0.8
215.11815	2.3
216.10162	0.9
223.08711	0.4
224.09319	0.6
225.10220	2.2
226.08748	0.8
226.10884	0.7
227.08229	0.7
227.11809	0.9
228.12576	0.4
229.09747	0.5
236.09364	0.5
237.10251	1.5
238.10890	0.9
239.08202	0.5
239.11711	1.8
240.10397	0.7
241.09618	2.0
243.11255	13.8
249.10199	1.1
250.10904	0.4
251.08218	0.8
251.11758	1.6
252.12439	0.4
253.09653	0.7
253.13380	0.7
254.10522	0.7
255.11304	1.6
256.12122	0.9
257.09106	0.6
257.12787	1.0
259.10580	0.9
261.12463	1.5
263.08176	0.6
263.11807	0.5
264.08948	1.0
265.09720	2.6
265.12402	0.3
265.13278	0.3
266.10571	1.1
267.11273	1.8
269.09280	2.1
269.12213	0.3
270.10007	0.8
271.10757	2.5
272.11377	0.6
273.12421	1.1
277.09778	0.7
278.10556	0.4
279.11102	1.6
280.12009	0.5
281.09213	0.7
281.12704	0.5
283.10757	5.9
284.11475	1.5
285.12296	16.4
286.12943	0.7
287.10321	3.8
287.13937	2.4
290.12949	0.7
291.11304	0.4
293.12976	0.4
295.10757	1.0
296.11469	0.5
297.12369	0.9
298.13208	0.9
299.10330	3.2
299.13770	0.8
300.11441	0.6
301.11664	2.4
302.12866	1.6
303.13370	36.4
304.14102	2.3
305.09204	0.4
309.12384	0.7
310.13409	0.4
311.10294	0.9
313.11798	34.8
314.12482	1.4
314.16406	0.6
315.10385	0.5
315.14563	0.4
316.10806	1.0
316.14505	1.9
317.11771	0.6
317.15225	1.4
318.12579	0.6
318.15915	2.5
319.16754	1.6
320.17432	0.4
323.10275	1.5
324.10880	1.0
325.11780	1.1
326.13086	0.4
327.13837	0.6
328.10950	0.3
328.14792	0.6
329.11560	1.3
329.15454	0.5
330.12436	2.4
330.16019	0.8
331.12875	11.4
332.13773	1.3
332.17715	1.3
333.14944	0.4
334.15302	0.4
337.11841	0.7
340.14603	0.5
341.12027	0.3
342.12448	0.7
342.16345	0.6
343.13525	0.9
344.14026	2.9
345.14417	24.6
346.15427	5.1
347.16397	2.9
348.17188	0.6
356.10217	0.5
356.14090	1.3
357.10831	0.5
357.14993	0.8
358.11844	1.5
358.15552	2.8
359.16235	1.2
360.13043	0.7
360.17010	4.2
362.14932	0.8
363.15503	1.8
368.13989	1.0
370.11969	1.4
370.15619	1.1
371.12415	1.9
372.13278	5.4
372.17233	0.7
373.14035	3.0
373.18219	0.4
374.14856	4.2
375.15872	0.5
376.16736	0.6
378.18124	0.8
383.12631	0.6
384.13486	1.0
384.17810	0.6
385.14267	1.6
386.14908	8.1
386.19321	0.6
387.15805	6.5
388.16556	5.8
389.14114	0.5
390.14301	0.9
390.18552	0.6
396.13513	1.2
397.13940	0.4
398.15002	0.8
400.12302	0.7
400.16638	1.3
401.13589	1.0
401.17770	0.7
402.13721	2.2
402.18338	1.5
404.15945	4.1
405.16751	2.9
406.17551	5.1
407.18243	0.6
410.15250	0.6
413.13898	1.0
414.14438	6.8
415.15244	15.2
416.16003	20.2
417.16418	1.1
418.17795	1.9
419.18417	1.1
424.18835	0.6
425.18732	0.4
428.16080	2.3
429.16779	1.6
430.17773	4.6
431.18002	1.0
432.15396	3.2
433.16339	4.2
434.17084	4.2
438.14517	0.7
446.17197	6.6
447.17722	2.6
456.15616	4.7
457.16241	1.4
458.17233	1.0
460.15106	1.3
462.15961	0.6
474.16580	21.5
475.17325	8.7
476.18106	5.1
490.19870	0.4
492.17725	0.5
506.19174	4.1
507.19827	2.3
508.20740	0.9
524.20245	1.9
571.25201	1.5
573.23425	2.2
597.23517	5.5
598.22974	0.6
605.57770	0.4
615.24426	100.0
616.24744	7.2
633.25726	1.2
647.26917	7.0
648.27167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
60.68710	0.8
67.05482	1.0
68.04999	1.0
69.07054	4.9
70.77402	1.5
70.77769	1.5
80.04991	1.1
89.03871	0.7
89.54367	0.7
94.06546	8.9
95.04971	1.2
95.12695	0.7
96.04462	0.8
96.08070	0.7
97.06536	0.8
108.08080	2.1
110.06036	1.5
112.07611	1.8
118.06543	1.0
119.69242	0.7
120.08074	0.9
122.06004	25.0
123.04384	1.0
128.55145	0.7
134.06017	1.2
136.07600	0.8
137.05936	0.6
140.07040	43.1
144.04439	3.1
146.05988	16.8
147.06807	1.2
148.07553	3.3
150.86232	0.7
152.07037	2.0
160.07475	1.2
162.05496	2.8
164.07077	0.9
166.08618	1.0
172.03900	20.1
172.05322	1.4
173.04660	2.8
173.10730	0.8
174.05475	23.1
176.07042	13.1
190.04990	4.4
191.05786	2.9
192.06508	1.2
197.10664	1.1
198.07729	1.4
199.08684	1.5
201.10300	1.2
204.06534	41.1
205.06868	0.7
206.08078	15.1
211.08597	1.8
212.09380	1.3
213.10211	3.0
214.11060	0.8
215.11749	3.2
223.08769	0.9
224.09294	0.9
225.10170	4.1
226.08588	1.0
227.08084	1.2
227.11798	1.6
229.09804	1.0
237.10124	1.5
238.10904	0.9
239.11731	3.6
241.09676	3.1
243.11235	17.5
249.10216	6.7
250.10825	1.6
250.17589	0.7
251.11801	3.0
255.11346	1.9
256.12195	1.1
257.09195	1.5
261.10052	1.2
261.12485	2.3
262.11099	2.1
263.08084	1.1
263.08548	1.4
263.11761	21.5
264.09024	1.5
264.12433	2.3
265.09735	4.2
265.13394	2.1
266.10495	1.6
267.11124	3.6
269.09186	3.0
270.09866	0.9
271.10788	2.6
273.12256	1.1
277.09744	5.1
278.10580	1.3
279.11212	8.5
280.11981	1.0
281.08932	0.9
283.10718	5.9
284.11569	2.2
285.12268	19.7
287.10287	4.0
287.13904	2.9
288.11313	0.8
290.13043	1.2
291.11172	8.7
292.12115	2.1
295.10654	4.7
297.12436	2.2
298.13135	0.9
299.10321	3.9
299.13828	1.5
300.11871	1.3
301.11877	2.4
302.12811	1.2
303.13345	41.6
304.14368	3.6
305.15149	0.9
307.10617	1.0
309.12320	11.0
310.12961	1.6
311.10364	1.0
311.13904	1.5
313.11777	40.5
314.12711	1.2
316.10843	1.8
316.14413	2.6
317.11777	1.2
317.15265	2.1
318.15948	3.7
319.16782	2.5
323.10190	2.0
323.13785	12.0
324.10931	1.1
324.14499	1.2
328.14645	1.1
329.11710	1.9
329.62610	0.8
330.12466	1.9
331.12881	11.5
331.16501	0.9
332.13705	1.9
332.17468	1.2
336.10953	9.8
337.11600	4.3
338.12686	1.0
340.14447	1.0
342.15976	1.4
343.13681	1.5
344.13977	3.7
345.14383	27.3
346.15390	9.4
347.16287	4.8
354.12314	1.1
355.13257	1.6
356.13950	2.7
357.14948	1.6
358.11777	1.9
358.15506	3.0
359.16513	1.0
360.13211	1.1
360.17111	5.5
363.15530	1.1
367.12894	6.7
368.13638	9.8
369.14502	12.4
370.11353	1.5
370.15692	5.4
371.12827	2.8
372.13043	7.5
372.17178	1.9
373.14133	4.6
374.14838	6.7
374.18250	0.7
376.16537	1.7
378.18188	1.7
384.17319	0.8
385.14038	1.7
386.14935	11.1
387.15683	9.2
388.16464	7.4
390.18369	1.1
391.14697	1.0
396.13409	1.6
398.14954	1.7
400.16956	1.1
401.13370	1.4
402.14282	2.2
402.18250	2.5
403.15958	1.1
404.15955	5.9
405.16840	3.1
406.17520	6.4
412.17014	1.0
414.14389	11.1
415.15170	21.2
416.15921	26.0
417.16202	1.8
418.17535	2.4
419.18423	1.0
428.16074	3.0
429.16708	2.3
430.17599	5.2
431.18442	1.0
432.15649	2.6
433.16168	5.1
434.17017	6.9
438.14777	1.1
446.17105	7.9
447.17896	2.6
456.15305	6.2
457.16251	1.8
458.17041	1.2
460.15109	1.1
474.16537	31.7
475.17203	13.5
476.18060	10.1
476.24405	0.9
478.19760	4.6
493.18195	1.1
494.19351	1.5
506.19147	5.7
507.19910	2.2
508.20685	18.3
509.20639	1.0
510.22272	9.6
526.21417	1.1
571.25586	1.8
573.23364	3.0
597.23163	7.6
615.24359	100.0
616.24799	6.0
629.26038	1.5
633.25366	1.7
647.26740	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	665.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99637	0.6
55.05508	0.7
64.82344	0.7
67.05482	1.8
68.05024	0.8
69.03415	1.2
69.07059	4.7
69.66257	5.0
70.06576	1.1
71.77508	0.6
72.08136	0.6
79.05505	1.2
79.63445	0.6
80.05049	0.7
80.35554	0.6
81.03416	0.8
81.07038	1.3
82.03719	0.6
83.04970	0.7
83.80864	0.6
84.08103	0.9
85.02907	1.4
86.06049	0.7
91.05466	0.9
93.07008	0.9
94.06551	6.7
95.04952	1.8
97.06528	1.1
98.21472	0.8
100.05576	0.6
108.08114	2.5
109.02867	1.2
110.06026	1.7
112.07624	1.5
114.09135	4.1
116.04974	1.6
117.03369	0.6
118.03688	0.7
118.06540	0.7
119.04961	1.0
120.08117	0.9
122.06020	20.7
123.04414	0.8
130.08586	3.0
132.04520	0.8
133.02856	3.0
134.03270	0.6
134.06017	2.2
135.04413	0.9
136.87389	0.6
137.05972	2.3
138.05504	0.8
140.07043	28.4
144.04433	3.1
145.02843	1.7
146.05984	15.7
147.04402	2.1
147.06757	1.4
148.07597	3.1
149.05989	1.2
152.07048	2.1
154.08627	0.8
160.07590	0.7
160.09691	3.1
161.06010	0.7
161.09941	0.7
162.05429	3.0
163.03891	2.5
163.06255	1.1
167.07053	0.9
172.03915	28.0
173.04572	0.8
174.05482	9.6
175.03876	1.5
176.04327	0.7
176.07031	10.0
176.08424	0.9
177.05515	1.6
178.05717	0.8
178.08618	0.9
183.09195	0.8
185.10751	0.7
186.04166	0.6
188.07080	1.0
190.04973	4.4
192.06558	1.8
197.10799	1.2
198.07773	1.1
199.08675	1.3
201.05461	1.1
201.10281	0.8
204.06535	47.2
205.06931	1.5
206.08089	20.1
211.08688	2.2
211.12260	0.6
212.09393	0.9
213.10104	2.9
215.11952	1.2
216.10176	0.8
223.08632	0.7
223.12352	0.7
224.09332	1.2
225.10187	3.4
226.10983	1.0
227.11775	1.3
236.09474	0.6
237.10257	1.0
238.11023	0.7
239.11833	1.9
241.09688	2.2
241.13396	0.7
243.11238	11.1
249.10159	1.1
251.08177	0.7
251.11798	1.1
253.09795	0.9
255.11394	1.6
256.12042	1.3
257.12930	1.1
259.10571	0.9
261.12390	1.9
263.08258	1.0
263.11902	2.4
264.08829	0.8
265.09900	3.6
267.11325	1.7
269.09164	2.0
270.10019	0.9
271.10794	2.1
273.12421	1.0
277.09891	1.8
279.11288	2.0
283.10666	5.9
284.11517	1.9
285.12271	9.3
287.10345	3.7
287.13950	2.8
291.11475	0.8
293.12799	0.6
295.10883	1.2
295.89713	0.6
297.12271	2.0
298.13104	0.7
299.10321	4.2
299.14041	1.9
300.11981	1.0
301.11774	3.0
302.12952	1.8
303.13370	32.1
304.14056	3.1
311.10211	1.3
313.11771	11.6
313.15201	0.7
314.12689	1.2
314.16516	1.2
315.10190	0.6
316.11053	0.7
316.14505	2.0
317.15469	1.2
318.15909	4.3
319.16739	2.3
323.09991	1.2
323.13779	1.3
325.11069	2.1
326.11151	2.6
327.13821	0.8
329.11670	1.0
330.12363	2.6
330.15939	1.2
331.12973	8.4
331.16565	1.2
332.13812	1.4
332.17551	1.5
336.10898	1.2
342.12415	0.8
343.13556	1.3
344.13782	3.2
345.14441	32.1
346.15491	5.8
347.16370	3.4
354.12454	0.8
355.13333	1.2
356.13989	1.5
357.11227	0.7
358.11819	1.4
358.15793	3.3
359.16748	1.0
360.13278	1.0
360.17130	4.7
362.14883	0.8
363.15598	4.0
367.12503	0.9
368.13583	1.6
369.14584	1.2
370.11884	2.5
370.15613	1.8
371.12430	3.0
372.13232	5.6
372.16779	0.7
373.14032	4.0
374.14893	5.7
374.18839	0.9
375.15771	1.0
376.16251	1.4
378.18326	1.0
385.14395	2.4
386.14905	10.2
387.15680	8.9
388.16739	6.5
390.14157	1.0
390.18552	1.1
396.13263	0.8
398.15039	1.3
400.16861	1.0
401.17599	1.0
402.14423	2.7
402.18781	1.3
404.16132	4.6
405.16479	3.3
406.17560	5.4
410.15179	0.9
414.14407	6.6
415.15234	18.2
416.15973	22.6
417.16208	2.2
418.17722	2.5
428.16068	1.8
429.16882	1.2
430.17548	5.1
431.18268	1.2
432.15021	3.7
433.16339	5.8
434.16992	5.7
438.14502	0.7
446.17081	6.7
447.17599	2.9
456.15726	3.5
457.16241	1.4
458.17343	1.3
474.16595	26.6
475.17325	14.4
476.18063	7.7
489.19290	0.8
506.19104	7.0
507.19824	2.8
508.20859	2.8
510.21841	1.0
571.25458	1.2
573.23438	4.5
597.23468	7.5
615.24408	100.0
616.24713	9.0
647.27051	10.1
648.26825	1.0
665.30402	3.2
665.42474	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	665.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05492	2.8
59.49269	1.0
62.38961	0.8
67.05489	4.3
67.28973	0.8
68.05035	0.9
69.03406	5.1
69.07055	7.4
70.06549	1.1
71.05006	1.0
72.08128	3.5
74.06081	6.1
74.06413	1.0
77.03869	1.0
79.05460	2.9
81.03390	2.9
81.05757	1.2
81.07038	9.9
82.06553	1.0
82.07356	1.8
83.04943	2.3
83.08591	1.0
85.02897	6.2
85.06506	3.0
86.06037	1.0
89.03909	1.3
91.05443	2.6
93.07013	3.7
94.06559	6.6
95.04929	2.9
95.08595	6.8
96.08112	2.1
97.02863	2.5
97.06519	2.1
98.06001	1.1
98.20655	2.4
105.07025	1.7
107.04953	1.9
107.08572	3.9
108.08085	2.1
109.02854	2.0
109.10128	4.1
110.06018	1.1
110.94028	0.9
111.08066	1.5
112.07582	3.1
114.09150	34.2
114.10297	1.8
114.12790	1.3
115.08754	1.1
115.09489	3.6
116.04964	1.7
116.07086	2.5
117.03386	2.2
118.06531	1.2
119.04915	3.0
119.08535	1.1
120.08112	1.0
121.10135	1.7
122.06012	24.1
123.04424	1.0
123.11714	1.7
127.03882	1.5
130.08644	6.3
131.08978	1.0
133.02838	11.2
133.10109	1.8
134.03157	3.0
134.05986	1.2
135.04407	1.7
135.11639	1.2
136.07539	1.3
137.05980	4.9
137.13208	1.4
138.06311	1.6
140.07043	35.3
144.04396	1.5
144.06551	2.9
145.02859	6.1
145.05109	1.2
146.03142	2.5
146.05980	10.7
147.04361	3.7
147.11607	1.1
148.07549	2.4
149.05981	5.3
149.13240	1.1
150.06407	2.4
152.06996	1.4
158.08134	4.7
160.09668	33.8
161.10039	5.4
162.05444	2.0
163.03886	4.9
165.05440	1.2
167.06981	6.4
172.03922	16.0
173.04697	1.7
174.05469	15.3
175.03902	6.1
175.06137	1.1
176.04282	2.5
176.07024	9.1
177.05411	8.9
178.05791	3.7
181.04906	2.2
190.04938	2.8
191.05696	3.4
192.06534	2.4
196.07558	1.1
199.08565	1.8
201.05408	1.5
201.10260	1.0
204.06528	32.2
206.08118	9.2
211.08612	1.8
213.10175	3.1
215.11829	2.1
215.17989	0.9
220.89526	1.0
225.10161	3.4
227.11736	1.9
229.13257	1.0
230.44823	1.1
234.06285	1.2
237.10280	2.3
239.11627	1.9
241.09628	2.1
243.11259	15.0
249.10277	1.1
251.11682	1.1
255.11240	1.5
256.11966	1.8
261.12329	1.6
263.11716	2.1
265.09583	2.7
265.13217	1.1
269.09082	1.9
270.09674	2.0
271.10669	2.7
279.11047	2.0
283.10663	4.4
285.12259	13.5
287.10260	3.3
287.13736	1.8
291.11194	1.3
295.10651	1.5
297.12167	1.1
299.10266	3.4
301.11795	2.4
303.09909	2.1
303.13339	38.4
304.14246	2.6
308.26617	1.2
309.12238	1.8
311.14014	0.9
313.11786	32.5
314.12442	1.1
317.15195	2.0
318.15845	2.8
319.16751	1.7
323.13797	1.7
324.11069	1.7
325.10620	7.0
326.10880	8.9
327.13681	1.1
330.12399	3.0
331.12808	11.5
332.13467	1.2
336.11169	1.4
338.11490	1.0
344.14026	1.5
345.14420	25.6
346.15454	6.2
347.16095	3.0
354.12225	1.3
356.13858	1.4
358.15475	3.6
360.16895	3.3
363.15317	2.7
368.13635	2.6
369.14511	1.8
370.11493	1.6
370.15549	2.1
371.12430	1.9
372.13248	5.5
373.14203	3.1
374.14893	3.6
384.13000	1.5
385.14246	2.0
386.14908	7.9
387.15668	7.0
388.16714	7.8
390.18195	1.1
396.13309	1.2
401.13217	1.0
402.14105	1.4
404.15875	4.6
405.16891	2.3
406.17487	6.0
414.14273	7.2
415.15268	15.4
416.15979	19.0
417.15741	5.3
428.15942	1.7
429.16412	1.4
430.17404	3.6
432.15329	3.1
433.16272	5.4
434.16885	5.2
445.10468	0.9
446.17041	5.9
447.17706	3.7
456.15466	4.8
457.16248	1.0
473.24225	1.2
474.16577	22.7
475.17273	10.2
476.18317	6.1
502.37335	5.4
503.37607	6.6
506.19073	4.0
507.20169	1.7
508.20563	2.3
510.22333	1.9
573.23108	3.0
597.23389	5.4
615.24408	100.0
616.24683	4.0
617.24146	2.0
647.27118	4.8
664.42645	7.3
665.30487	7.6
665.42480	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	664.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72609	1.8
53.03922	7.0
55.01850	5.0
55.05505	36.4
57.03433	21.2
57.07063	18.5
65.03920	3.9
67.05496	95.8
69.03416	2.8
69.07060	43.8
70.09150	8.7
70.09563	4.3
71.04967	5.4
71.08289	2.1
71.08623	20.7
79.05486	59.0
81.03392	1.9
81.07048	100.0
83.04950	6.3
83.08612	21.0
85.06517	5.4
85.10145	3.0
87.04435	2.3
91.05465	59.1
93.07030	69.4
95.04951	8.7
95.08591	72.8
97.06521	9.6
97.10155	12.1
98.21390	3.7
99.07590	1.7
99.08098	16.3
103.05492	1.8
105.07014	54.7
106.07296	2.0
107.08578	50.4
108.98712	2.1
109.06500	5.5
109.10141	33.2
111.08072	5.0
113.09595	3.4
115.05399	1.8
117.06992	18.8
119.08564	40.1
120.08907	2.4
121.06451	3.1
121.10123	33.8
123.08054	5.6
123.11695	10.6
124.27193	1.7
125.09638	6.5
129.06998	7.9
131.08557	21.2
133.10121	31.5
135.08076	4.4
135.11665	27.2
136.11987	2.0
137.09572	4.0
137.13239	4.1
139.11160	4.5
143.08531	7.0
145.10106	21.7
147.11667	25.8
149.09576	6.9
149.13219	10.1
151.11145	3.3
151.14731	2.6
153.12657	2.8
155.08559	2.4
157.10094	7.8
159.11682	22.9
161.13261	12.2
163.11136	4.9
163.14798	7.1
165.05466	3.6
165.12726	5.9
169.10112	3.5
171.11630	4.1
173.13280	8.8
175.14745	5.0
177.12729	3.8
177.16396	2.9
179.14226	2.7
185.13174	8.7
187.14809	6.8
189.11168	2.8
189.16391	2.4
193.12332	2.7
195.11761	1.7
195.13652	2.1
199.14812	2.2
201.16368	4.4
202.16998	2.3
202.71341	2.0
203.14291	5.6
205.15790	3.1
215.17969	2.5
219.10161	5.2
219.17410	4.4
220.10590	2.2
227.12761	15.0
229.19370	3.0
237.11156	5.2
239.17909	2.8
241.19551	5.6
243.21008	5.5
257.18976	9.8
259.20502	9.6
261.22131	4.9
269.17453	5.4
275.19968	14.9
277.21506	11.6
279.23083	14.3
289.17920	2.0
293.21045	3.9
314.59982	2.3
315.22812	2.4
327.07697	6.9
328.07977	6.3
331.22516	3.7
333.24176	9.1
335.25732	9.4
336.26221	2.1
337.27368	42.3
338.27658	2.3
346.89124	1.8
349.23834	17.3
351.25232	17.2
353.26764	18.1
383.13950	4.8
384.14282	4.1
439.19794	2.9
440.20486	7.7
444.28467	2.5
491.37225	2.7
492.64517	1.9
496.26547	6.5
507.36783	2.8
529.38782	11.7
531.40167	2.6
535.39844	6.7
548.42755	2.4
551.32629	2.3
552.32855	9.8
553.40753	2.0
557.41919	2.6
571.43475	2.5
580.04926	2.3
607.38489	3.1
608.39209	7.8
611.46771	25.3
629.47546	9.2
664.44812	5.4
671.84967	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75353	0.7
50.87822	0.7
53.03929	1.1
55.05492	5.8
57.03428	10.8
57.06790	1.2
57.07067	23.6
59.04999	4.1
61.02915	6.1
67.05494	64.3
68.05807	1.5
69.03411	1.7
69.07059	7.1
70.54488	0.8
70.63024	2.5
71.04974	2.6
71.08242	0.9
71.08619	16.5
72.65707	0.8
73.02946	1.5
73.23433	0.8
74.67551	0.7
79.05471	2.7
81.03418	1.2
81.07048	20.6
83.08601	10.5
85.02894	5.3
85.06520	2.1
85.10169	11.8
87.04449	0.8
89.06003	1.4
91.03925	2.3
91.05461	5.2
93.07049	5.5
95.08586	15.1
97.02853	2.7
97.10143	3.7
105.07005	2.2
107.08579	3.2
107.30107	0.9
109.10139	64.0
110.10467	1.1
111.08055	2.7
119.08566	6.4
121.06530	0.9
121.10120	1.7
123.11676	2.4
125.47758	0.7
133.10081	2.0
137.09598	3.5
137.13246	1.0
145.10091	1.6
155.10637	4.2
155.16437	0.8
157.10100	0.8
165.09174	1.0
173.11711	17.0
173.13168	0.8
175.14787	0.9
179.14293	1.6
207.11725	0.8
229.14317	100.0
230.14764	2.6
239.23692	2.2
313.27307	74.6
314.27603	3.7
356.30283	1.0
467.37268	65.6
468.37463	3.4
546.38702	1.2
664.48145	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	664.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	3.5
55.05502	6.7
57.03426	2.9
57.07058	3.7
58.78807	0.9
67.05494	15.7
69.07066	6.9
69.50920	11.6
75.28373	1.2
79.05481	11.5
81.03400	1.0
81.07043	32.3
82.68018	1.1
83.04961	2.6
83.08598	3.2
87.04476	1.2
90.92715	1.1
91.05464	7.1
93.03207	1.1
93.07039	11.8
95.04932	2.4
95.08598	15.4
97.06513	1.8
97.10129	2.1
101.50594	1.0
105.07013	6.8
107.08573	9.1
109.06513	9.5
109.10126	7.8
111.04423	14.7
117.06999	2.7
119.08556	8.4
121.10155	8.9
123.08009	2.2
123.11700	2.1
125.05970	3.2
131.08536	2.9
133.10117	5.4
135.08054	2.1
135.11707	4.7
137.05956	100.0
138.06293	1.2
145.10069	3.4
147.07983	1.2
147.11656	6.9
149.09586	5.2
149.13223	3.0
151.07535	3.7
151.11186	1.4
157.10101	3.1
159.11703	2.6
161.09589	7.0
161.13255	2.8
163.11127	3.4
165.09073	2.1
173.13225	1.3
175.11227	5.6
175.14661	1.6
177.12704	1.6
179.10616	2.0
183.76767	1.0
189.12796	1.7
193.12326	1.6
203.17987	6.0
205.19620	1.2
213.16322	3.6
221.18962	2.0
231.17427	7.5
241.15843	1.5
249.18655	4.7
261.22089	1.1
277.17972	37.6
277.20999	1.3
278.18311	1.9
295.19012	15.9
335.25769	26.6
351.21609	19.8
351.25610	1.7
374.37711	1.0
454.78143	1.0
495.26385	1.3
496.26865	1.8
552.33008	1.6
608.39154	1.6
611.42981	63.7
612.43439	5.1
629.43683	3.9
664.46796	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	664.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01894	0.1
53.03935	0.1
55.01841	0.1
55.05503	0.1
57.07071	0.1
58.74643	0.0
67.05479	0.2
69.07049	0.2
71.79614	0.1
74.09716	0.1
78.03445	0.1
79.04206	0.1
79.05476	0.1
80.05008	2.7
81.03427	0.1
81.07044	0.3
83.08639	0.1
87.04440	0.1
91.05466	0.2
93.07030	0.3
95.08597	0.2
96.04485	2.5
97.06496	0.1
105.07021	0.3
107.08594	0.2
109.10130	0.2
112.07582	0.1
117.06978	0.1
119.08586	0.2
121.10075	0.3
123.08103	0.1
124.03938	100.0
125.04278	1.3
131.08575	0.1
133.10117	0.3
135.11690	0.1
138.05431	0.1
140.03374	0.1
140.07098	0.2
143.08560	0.1
145.10129	0.2
147.08157	0.1
147.11658	0.2
149.09619	0.1
149.13318	0.1
157.10153	0.1
159.11681	0.2
159.89415	0.1
161.13136	0.1
165.06601	0.1
169.10124	0.1
171.11600	0.1
172.12575	0.1
173.13271	0.2
185.09521	0.1
185.13342	0.1
187.14806	0.4
189.16428	0.1
199.14807	0.1
201.16368	0.2
203.17960	0.1
215.14200	0.1
223.14915	0.1
236.41197	0.1
253.19595	0.1
365.22617	0.1
375.30539	0.1
403.30109	0.2
407.25543	0.1
421.30792	0.1
435.32767	0.1
449.30530	0.5
526.32324	0.1
584.55872	0.1
664.38312	3.8
665.38513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	49.9
58.07400	0.5
61.22316	0.4
65.03934	0.4
65.63342	0.3
67.63864	0.3
71.71266	0.4
71.71589	0.4
77.03617	0.6
77.04015	0.7
79.05517	0.3
81.07047	0.5
83.08577	0.4
87.04459	1.2
89.06022	0.3
91.05463	6.3
92.68353	0.4
93.07049	0.4
95.04972	1.0
95.08591	0.6
95.33570	0.3
105.06979	2.3
107.08591	0.5
117.07088	0.4
119.08556	1.6
132.09378	0.6
133.10155	0.6
147.11656	6.9
152.06219	0.8
153.06972	3.3
161.13280	0.5
171.08087	0.5
175.01709	0.4
175.99382	0.4
190.12357	0.4
194.30295	0.4
228.09236	0.8
229.10156	1.3
233.03590	5.5
251.04637	16.5
307.10898	1.9
309.06732	0.5
311.82132	0.3
327.07745	100.0
328.08167	3.2
345.16904	0.3
363.16922	0.8
383.13995	73.5
384.14322	3.3
424.16583	0.5
439.20264	77.8
440.20581	4.0
495.26505	63.2
496.26730	3.4
551.32776	85.3
552.33087	4.5
607.39008	76.2
608.39349	5.1
648.42065	1.9
663.45172	20.6
664.45544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05492	2.4
57.66645	0.5
60.16484	0.6
65.03913	1.0
67.05494	1.8
68.05032	0.6
69.03410	3.0
69.07060	1.2
69.57124	1.2
69.57531	5.6
70.06578	1.6
72.08138	0.7
75.18960	0.7
77.03915	2.2
79.05488	1.6
81.03408	2.3
81.07047	3.6
82.06554	0.7
83.04977	1.1
84.08108	0.9
85.02886	2.1
85.06517	0.9
86.06066	3.6
87.04455	1.6
87.57848	0.6
89.03911	8.3
91.05465	14.5
93.07024	2.4
94.06570	1.2
95.04962	1.9
95.08596	2.1
96.08114	1.7
97.02869	1.8
97.06512	0.7
100.07594	1.0
103.05463	4.0
104.07037	0.7
105.03373	3.5
105.07017	1.3
107.04927	2.0
109.02865	1.6
109.10140	1.6
110.06065	0.8
112.07586	2.3
114.09158	11.2
116.07116	0.9
117.03368	25.2
119.04929	19.3
119.08529	0.8
121.06502	5.1
121.10146	0.8
122.03619	1.9
122.05994	1.6
125.07085	0.7
127.03951	1.7
129.06871	0.6
130.08624	44.3
131.04901	1.9
133.02834	94.4
134.03119	1.6
135.04398	5.6
137.05960	23.2
138.06305	1.1
140.07018	1.4
145.02831	56.5
146.03300	1.5
146.06078	0.8
147.04401	18.0
149.05963	41.9
150.06755	14.3
151.07442	1.9
157.03963	1.6
158.08081	0.8
160.01550	2.0
160.09677	8.6
160.10829	1.3
161.05966	8.2
162.03069	1.6
162.06750	1.8
163.03929	3.0
163.07539	0.7
165.05446	13.7
165.06764	0.9
167.07103	1.6
172.04066	0.7
173.05960	2.9
175.03888	57.1
176.04306	1.5
177.05450	61.2
178.05853	2.4
179.06999	3.1
180.07796	0.7
186.05489	1.1
189.07005	0.9
201.05440	16.4
202.05800	0.9
204.06459	1.0
205.06435	6.0
213.05417	1.5
219.08121	1.2
221.05948	1.4
222.06726	1.3
231.06529	2.3
233.05942	12.2
234.06639	2.1
237.09203	1.5
247.07523	2.1
249.05487	2.7
250.06239	2.8
251.06882	1.0
260.04361	0.8
261.05453	5.5
262.06070	1.0
264.07758	2.1
265.08548	7.4
266.09125	0.9
275.06903	1.1
277.04895	1.7
277.08572	0.8
278.05765	0.8
292.07236	5.2
292.13943	1.0
293.08035	8.1
297.48608	0.7
303.13370	1.2
304.14429	1.0
305.08087	1.0
307.09537	2.7
325.10669	100.0
326.11078	4.6
337.10693	8.5
345.14484	0.8
355.11615	5.0
416.15771	0.7
466.16986	2.7
474.16779	0.7
487.15872	4.8
502.37195	2.4
615.24127	2.3
616.23914	11.0
617.23810	0.9
634.28766	0.9
664.29944	10.1
664.42273	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	663.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67194	0.3
61.77403	0.3
67.05486	0.9
69.03381	0.9
69.07065	1.8
70.06557	0.6
72.08101	0.6
74.04488	0.4
79.05458	0.4
81.03386	0.6
81.07005	0.7
82.37091	0.4
83.30527	0.3
85.02851	1.1
86.09668	0.8
87.07695	0.3
89.18507	0.4
91.05454	0.9
93.06990	0.8
94.06522	1.2
95.04929	0.6
95.08557	0.9
105.06980	0.8
107.08541	0.8
108.08038	0.4
109.02853	0.7
109.06429	0.4
109.10133	0.5
114.09098	1.5
114.12734	1.0
117.03317	1.0
119.08497	0.6
121.09982	0.5
122.06023	2.1
125.09555	0.6
137.05896	1.0
140.07077	2.8
144.04401	0.5
145.02829	2.5
145.10118	0.7
146.06009	1.9
147.04416	0.7
148.11194	0.4
150.09181	0.4
152.07010	1.2
154.06483	0.5
156.10214	0.9
159.11794	0.4
162.05402	0.6
163.03882	1.9
172.03897	1.8
174.05467	2.0
176.06985	0.7
176.10611	1.1
177.05443	6.0
184.07309	1.3
190.04919	0.6
194.08081	1.5
196.09703	0.7
200.06966	0.6
204.06580	2.0
206.08043	0.6
207.06555	0.4
209.10709	0.7
211.12140	0.5
214.10724	0.4
222.11392	0.6
223.12297	0.9
224.09245	0.4
225.10191	2.2
226.10852	0.5
227.11742	1.2
229.58253	0.5
235.08597	1.4
236.09401	1.0
237.10208	5.0
238.10883	1.3
239.11728	1.1
240.12486	1.0
241.13264	0.7
248.09193	0.6
249.10179	4.8
250.10944	3.4
251.07970	0.8
251.11751	7.9
252.08717	0.6
252.12456	1.4
253.09674	7.1
253.13295	0.5
261.10077	0.8
263.11777	1.4
264.09015	0.7
265.09689	11.3
265.12686	0.7
266.10370	1.4
266.14258	0.4
267.11246	5.0
268.11789	0.6
269.12744	1.1
277.09683	2.0
277.12930	0.5
278.06760	1.0
278.10437	6.6
279.07660	2.7
279.11237	11.3
280.11987	3.9
281.12875	2.0
282.09909	0.4
283.10678	1.7
284.11432	0.8
285.12054	0.8
287.13904	1.9
289.09607	0.7
291.11176	0.8
293.09106	5.2
293.12784	5.8
294.09933	1.7
294.13223	0.6
295.10706	5.2
295.14383	3.6
296.11508	1.0
297.12302	4.7
299.13763	0.6
301.12097	0.6
301.15500	0.4
306.09830	0.5
307.10757	2.5
308.11584	1.1
309.08926	0.4
309.12259	6.2
311.10193	2.6
311.13321	2.6
312.11026	9.6
313.11740	3.4
321.12262	1.1
323.10406	0.7
323.13919	1.6
324.11029	2.8
324.14502	0.8
325.11786	9.7
326.12503	1.2
327.13354	55.3
328.13803	2.6
329.11459	0.6
330.12372	0.5
330.16214	0.6
331.12906	1.0
331.16656	0.6
335.10117	6.2
336.10889	1.3
337.11874	4.0
339.13364	79.1
340.13965	5.1
341.14731	0.8
344.17297	0.6
345.14444	1.0
349.11475	0.5
349.35727	0.5
352.10416	1.6
353.11267	10.6
354.11932	1.3
357.14871	0.5
358.15341	1.0
367.12839	72.7
368.13596	12.7
369.14420	2.7
373.13919	0.6
384.13312	1.7
385.13809	3.4
386.14532	0.5
390.18024	1.0
398.15027	1.1
399.15524	12.7
400.16425	3.0
401.16992	1.1
414.18234	0.7
416.16226	0.6
417.16788	0.6
418.17679	0.9
440.16074	0.4
444.15536	0.5
458.16977	3.1
459.17715	1.6
467.20422	0.6
476.18036	1.7
480.21194	2.0
490.19562	0.9
508.20755	100.0
509.21118	3.7
526.21942	7.3
540.23358	63.5
541.23749	1.7
581.24335	0.6
599.24933	13.4
600.26617	0.5
631.27130	1.1
655.03455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66438	0.3
55.01834	0.3
55.05482	0.6
67.05451	0.8
69.03391	0.5
69.07013	1.3
70.06536	0.3
71.10210	0.2
72.08105	0.3
79.05452	0.6
81.03371	0.6
81.07011	1.0
83.04953	0.4
84.06418	0.3
85.02862	1.0
85.03325	0.3
85.86404	0.3
86.09675	0.4
88.54710	0.3
91.05441	0.8
93.06989	0.7
94.06518	1.0
95.04922	0.4
95.08569	0.8
97.02851	0.6
97.45207	0.3
105.06980	0.6
107.08543	0.6
109.02840	0.6
109.10122	0.8
110.05982	0.4
114.09168	1.4
114.10255	0.5
114.12780	0.4
116.04958	0.3
117.03326	1.0
118.62701	0.3
119.08567	0.5
121.06443	0.3
121.10102	0.7
122.06021	2.2
123.04367	0.3
123.08008	0.4
129.06906	0.3
130.08592	0.3
133.10059	0.7
134.05994	0.4
135.11719	0.3
136.07544	0.5
137.05972	0.8
140.07047	3.0
143.08455	0.3
144.04391	0.5
144.08063	0.4
145.02843	2.2
145.10114	0.4
146.06015	1.6
147.04391	0.6
148.07469	0.4
148.11153	0.4
149.05902	0.3
152.07010	1.2
154.08588	0.8
156.10141	0.6
162.09088	0.3
163.03848	1.5
164.07005	0.3
172.03920	1.4
172.07535	0.3
174.05496	1.8
176.07083	0.7
176.10645	0.9
177.05432	5.1
184.07336	0.6
186.05464	0.3
188.07039	0.3
190.04924	0.9
191.05594	0.4
192.06543	0.6
194.08086	1.4
196.09645	0.3
198.09079	0.3
204.06493	1.9
206.08054	0.5
207.06476	0.4
209.10753	0.4
211.08539	0.4
216.10251	0.3
216.33672	0.3
219.09230	0.3
221.10759	0.4
223.08754	0.6
223.12299	0.6
224.09366	0.7
224.12938	0.3
225.10249	2.4
226.10826	0.3
227.11781	0.8
235.08627	0.9
236.09401	1.0
237.10179	4.6
238.10974	1.4
239.11713	1.1
240.12552	1.1
241.09715	0.3
241.13200	0.4
243.11278	0.3
248.09286	0.5
249.10219	5.3
250.10960	3.1
251.08047	0.7
251.11763	8.8
252.08968	0.5
252.12566	1.7
253.09688	7.0
253.13406	0.7
255.11053	0.4
261.10095	0.6
262.10852	0.8
263.08209	0.5
263.11749	2.0
264.08829	0.8
265.09668	12.9
266.10318	1.1
267.11267	4.6
267.14032	0.4
267.15265	0.3
268.12000	0.5
269.12836	1.5
271.10687	0.4
275.07840	0.3
277.09760	2.4
278.07050	0.5
278.10452	6.2
279.07620	2.5
279.11243	13.0
280.11935	3.6
281.09445	0.6
281.12781	1.3
282.09998	0.8
283.10605	1.9
283.13635	0.3
284.11417	0.6
285.12292	1.1
287.13858	2.7
289.09619	0.5
291.11374	0.8
293.09149	5.5
293.12793	5.9
294.09909	2.1
294.13309	0.7
295.10748	4.5
295.14380	2.9
296.11646	1.5
297.12314	4.6
299.14017	0.6
301.12006	0.8
301.15613	0.4
306.09845	0.9
307.10791	2.4
308.11511	1.2
309.08917	0.6
309.12231	6.4
310.12683	0.4
311.10187	2.6
311.13892	2.6
312.10992	9.8
312.14563	0.7
313.11734	3.0
316.14624	0.5
321.12338	1.1
323.10410	0.6
323.13602	1.7
324.10974	3.1
324.14465	0.4
325.11798	11.0
326.12329	1.3
327.13351	54.7
328.13867	1.7
329.11606	0.4
330.15915	0.8
331.12854	0.7
331.16611	0.6
334.09409	0.6
335.06244	0.4
335.10156	5.5
336.10947	1.1
337.11819	4.0
339.13361	79.3
340.13980	4.7
341.15100	0.4
342.12201	0.4
343.12924	0.4
345.14471	0.8
352.10458	0.9
353.11304	10.0
353.15570	0.6
354.12006	1.2
356.13815	0.7
357.14465	0.8
358.15540	0.9
367.12839	69.4
368.13577	13.3
368.17368	0.3
369.14432	2.7
372.16980	0.5
384.13187	1.9
385.13879	3.7
386.14679	0.6
390.18063	0.6
397.14478	0.4
398.15207	1.1
399.15488	13.2
400.16470	4.0
401.16879	0.7
416.15930	0.5
417.16727	0.8
418.17380	0.7
430.17813	0.7
440.16245	0.6
444.15369	0.3
458.16977	3.2
459.17651	1.3
460.18680	0.4
467.20447	1.0
476.17795	1.3
480.21075	2.4
490.19626	0.8
508.20749	100.0
509.20929	2.9
526.21832	7.8
527.22491	0.4
540.23352	65.8
541.24097	2.1
557.24017	0.4
581.24030	0.5
599.24939	12.4
600.25366	0.5
616.41748	0.4
631.27325	1.0
663.29010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	5.2
55.05502	30.9
57.03405	8.5
57.07055	23.5
59.37579	5.0
67.05495	77.7
69.07055	26.5
71.08617	56.7
77.35163	5.8
79.05479	75.3
81.03413	12.5
81.06588	8.6
81.07040	97.4
81.07481	10.8
83.04942	7.2
83.08580	24.6
87.04453	69.6
91.05465	66.7
93.07023	94.8
95.04965	13.7
95.08578	72.4
97.06496	14.1
97.10168	10.6
99.08080	19.7
105.07010	70.7
107.04932	12.6
107.08575	47.5
109.06455	8.8
109.10123	26.9
111.08037	6.1
117.06975	17.7
119.08562	61.4
121.06475	7.4
121.10134	40.3
123.07967	6.2
123.11605	4.5
129.06990	16.9
131.08522	25.8
133.10117	43.8
135.11671	37.6
143.08488	12.8
145.10089	24.3
147.11652	26.2
147.58179	5.0
149.13234	17.9
151.11162	20.0
157.10097	9.3
159.11688	13.2
161.13245	33.0
163.11160	9.1
163.14767	6.3
171.11728	11.6
173.13220	9.2
175.14775	11.2
179.14288	77.6
180.14677	6.7
185.13104	8.8
189.12772	6.2
221.15379	5.8
234.51669	4.9
236.49457	6.0
241.19507	18.6
259.20486	37.0
277.21594	70.1
278.21844	8.5
293.21088	15.4
294.21451	10.0
315.23123	18.2
333.24179	69.8
335.25626	8.2
349.23575	11.1
351.25229	68.3
352.25604	11.8
367.24658	6.8
368.25409	7.8
607.39154	10.0
609.45056	100.0
627.46198	5.4
644.45441	20.4
662.44574	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	663.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51210	0.5
55.05505	1.1
55.94594	0.6
57.03426	0.8
59.04984	1.6
62.45313	0.6
67.05484	1.1
69.03410	1.7
69.07042	2.6
70.06571	2.6
71.04970	0.7
71.79674	0.8
79.05480	1.2
80.42710	0.7
81.03385	1.6
81.07051	1.8
83.68225	0.6
85.02882	1.9
86.09692	1.5
91.05476	2.0
92.82000	0.6
93.07006	1.6
94.06561	1.1
95.04942	0.9
95.08601	1.7
97.02894	0.8
97.06532	1.2
105.07025	0.9
107.08555	1.7
109.02853	1.0
109.10163	1.6
117.03361	0.9
118.06478	0.9
119.04904	0.8
119.08544	3.3
122.06001	2.5
123.08132	0.7
124.07584	0.7
130.08620	4.4
133.10120	1.8
134.06021	0.6
136.07582	2.3
138.05502	0.7
140.07060	3.3
145.02776	3.6
145.10101	1.1
146.05954	0.9
146.09636	1.4
147.04373	1.1
163.03888	1.4
163.11156	0.9
164.07059	2.6
172.03938	0.9
174.05544	0.7
175.14827	4.5
177.05450	9.2
178.08643	0.8
184.07314	3.8
186.14581	0.6
188.07010	1.0
193.15868	1.7
194.69250	0.6
204.06544	3.6
204.10202	0.7
206.08110	1.8
207.06445	0.8
211.08601	0.6
216.92320	0.7
221.10696	1.2
222.11493	3.5
223.12253	1.0
233.03259	0.6
234.11560	0.6
235.08614	1.2
235.12303	2.3
236.09221	4.2
236.12985	1.0
237.10284	3.1
237.13907	1.0
238.10730	0.9
247.08714	2.9
248.09462	4.8
249.10204	14.2
250.10977	7.8
251.11754	6.4
261.10214	4.3
262.10950	6.4
263.11749	73.3
264.09650	1.0
264.12457	8.4
265.09756	2.1
265.13312	7.2
267.11292	1.3
275.08127	1.6
276.08920	0.9
277.09656	15.7
278.10330	1.7
279.11243	29.9
280.11844	2.9
281.09586	0.9
281.12781	8.4
282.13528	7.5
285.12366	0.7
289.09583	3.1
290.10410	5.7
291.11227	31.9
292.11975	8.0
293.09406	1.3
293.12787	4.5
294.09991	1.6
294.13406	0.7
295.10748	16.3
295.14334	1.6
296.11423	1.8
296.14682	0.7
297.12161	1.3
303.07642	2.7
307.10699	8.3
308.11395	3.3
309.12274	55.4
310.12863	3.7
311.13864	2.6
317.09213	1.3
318.09833	5.7
319.07187	0.7
319.10571	3.9
321.12204	1.0
322.13174	0.9
323.13840	49.5
324.11145	0.7
324.14429	3.3
325.11765	1.3
335.10202	4.0
336.11005	40.7
337.07700	0.8
337.11749	17.8
338.12561	5.0
339.13364	1.9
341.14920	12.2
345.14395	5.2
349.11630	0.8
350.12552	0.9
351.13245	5.1
355.12869	2.0
356.13681	1.4
367.08154	1.2
367.12851	32.4
368.13617	45.9
369.14392	100.0
370.15076	11.8
371.15955	1.4
399.15424	6.4
401.17194	3.0
430.18329	0.7
448.18991	1.0
459.17477	0.9
460.18604	1.2
476.18103	4.0
477.18582	1.0
478.19620	14.0
490.19629	5.4
491.20435	4.9
492.20892	1.1
508.20737	63.4
509.21191	3.7
510.22263	28.1
511.22546	1.6
522.21918	2.5
540.23346	76.2
541.23657	2.9
599.24866	9.4
613.26263	1.0
631.27527	19.1
632.27240	0.8
663.37762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.6
55.01859	6.6
55.05505	39.6
57.03429	18.2
57.07060	16.8
63.24406	2.4
65.03917	4.4
65.18644	2.4
67.05493	95.8
68.07829	2.8
68.19106	2.5
69.03417	3.0
69.07061	34.7
69.60890	25.2
71.04967	5.2
79.05480	80.3
81.03396	7.2
81.07043	92.5
82.07410	2.7
83.04948	6.4
83.08606	23.1
85.06507	4.2
85.10185	2.8
87.04452	43.8
91.05464	66.3
93.07033	91.7
95.04937	12.6
95.08594	66.1
97.06537	13.7
97.10161	12.9
99.08073	5.1
105.07011	55.0
107.04969	3.5
107.08570	64.6
109.06502	7.2
109.10124	29.2
111.08066	4.2
115.05441	4.3
117.06994	22.0
119.08566	39.7
121.06445	5.3
121.10120	28.2
123.08001	5.2
123.11691	9.7
125.09599	16.1
129.06996	15.7
131.08548	37.0
133.10107	29.4
135.08002	4.3
135.11684	22.0
137.09633	4.4
143.08528	9.9
145.10086	27.6
147.11649	29.8
149.09605	11.5
149.13246	9.4
155.08575	3.0
157.10129	8.5
159.11690	26.1
161.13216	9.6
163.11148	6.4
163.14778	4.3
169.10123	5.1
171.11618	7.1
173.13258	10.5
175.11189	2.6
175.14821	3.9
183.11713	4.6
185.13243	10.5
187.14836	5.5
189.11218	6.8
199.14789	3.7
203.14401	5.9
219.17520	3.5
227.12732	19.9
229.19411	3.4
234.91226	2.8
236.87085	2.5
239.18024	5.8
255.15863	4.3
257.19006	19.4
259.20700	3.4
261.22168	13.8
269.17462	8.7
275.20035	45.0
276.20236	3.2
277.21661	6.7
317.24942	2.8
327.07901	5.1
333.24207	3.6
335.25739	100.0
336.26172	3.3
349.23715	35.4
350.24173	3.0
367.24701	3.0
383.14001	4.7
428.50412	2.6
482.28815	2.5
489.35703	4.4
495.26398	5.7
515.37140	9.1
529.38727	11.2
546.41449	3.2
551.32562	6.9
607.38617	6.1
609.37311	2.7
609.45270	37.1
627.45520	5.1
662.46716	4.8
663.46545	4.7
682.48181	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	662.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.0
53.03929	4.8
55.01859	2.9
55.05503	34.2
57.03435	15.2
57.07065	8.3
65.03920	5.0
67.05495	96.3
69.03400	3.4
69.06687	2.0
69.07056	34.5
69.53259	7.0
69.53680	9.6
71.04969	6.2
71.08614	3.7
73.02867	1.9
79.05482	71.7
79.42468	1.6
81.03394	6.9
81.07044	100.0
83.04972	9.4
83.08607	13.7
85.06535	3.7
87.04459	20.9
91.05469	60.5
93.07031	86.9
95.04949	15.4
95.07988	3.5
95.08590	60.7
96.31090	1.6
97.06517	14.7
97.10139	4.7
99.08038	3.4
104.49239	1.7
105.06312	3.5
105.07012	45.7
107.04935	4.6
107.08579	44.0
109.06484	5.8
109.10136	24.1
111.08049	7.8
115.05424	3.8
117.06999	19.5
119.08562	38.4
121.06516	4.8
121.10127	37.2
123.08044	5.5
123.11681	7.6
125.09611	5.2
128.06227	2.5
129.07007	8.6
131.08546	32.0
133.10097	30.6
135.08009	5.0
135.11676	25.0
137.09569	5.0
143.08513	8.2
145.10098	22.0
147.08057	3.1
147.11668	19.7
149.09612	6.6
149.13242	13.1
151.11147	2.6
155.08472	2.3
157.10089	5.1
159.11674	19.2
161.09647	1.9
161.13225	7.5
163.11154	4.8
163.14774	3.0
169.10075	2.2
171.11646	5.5
173.11864	2.5
173.13239	7.8
175.14821	3.7
177.12738	3.1
181.12169	1.9
183.11732	3.2
185.13246	4.5
187.14798	4.5
193.12315	1.9
195.11682	3.1
195.13734	4.7
197.13182	2.2
199.14919	2.1
201.16353	2.0
219.17336	2.0
239.18028	1.8
243.21114	2.0
255.15868	11.7
257.18997	6.8
259.20551	6.9
261.22165	8.0
267.15808	3.9
269.17459	17.7
273.18393	3.3
275.20056	22.7
277.21616	8.7
291.19669	2.6
293.21002	2.8
313.27228	2.6
317.24652	4.1
333.24002	3.1
335.25751	73.3
336.26160	2.2
337.27606	3.8
349.23697	19.2
351.25095	9.5
367.24832	3.0
459.21454	1.9
515.37329	16.1
529.38837	79.1
529.46832	4.1
530.38934	3.7
569.42120	5.4
606.28339	3.2
607.38647	2.8
609.44946	12.2
627.45898	6.1
662.44598	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	662.39
Annotation	Mucronine D
Peak:m/z	Relative Intensity
53.41748	0.1
55.05507	0.1
56.05018	0.2
57.05788	0.2
58.06584	1.3
61.02901	0.1
64.91872	0.1
65.03923	0.1
67.05470	0.3
69.03416	0.1
69.07047	0.3
69.76767	0.5
70.06561	0.3
71.04974	0.1
71.07354	0.3
72.07748	0.2
72.08141	2.6
73.84780	0.1
79.05470	0.3
81.03407	0.2
81.07044	0.2
83.04968	0.1
84.08138	0.1
85.02856	0.1
86.09691	0.6
91.05452	1.0
93.07024	0.2
95.04964	0.1
95.08595	0.3
97.06499	0.2
98.09653	0.1
98.20623	0.1
103.05460	0.1
104.06205	0.2
105.03323	0.1
105.07021	2.6
107.08575	0.3
109.10132	0.2
114.12784	30.7
115.13110	0.2
117.06963	0.2
118.06535	0.1
119.08530	0.2
120.08118	0.2
121.10186	0.1
122.09659	0.1
124.99998	0.2
131.04932	0.1
131.08542	0.2
132.08049	0.6
133.08849	7.2
135.11740	0.1
137.05882	0.1
137.11989	0.3
138.12773	0.2
144.08061	0.2
145.04916	0.1
146.09616	0.2
147.04379	0.2
147.10503	0.1
147.11757	0.2
148.11179	100.0
149.11534	1.1
157.09990	0.1
161.13341	0.1
164.07072	0.1
165.07860	0.4
171.10365	0.2
172.07457	0.2
175.07506	0.1
177.05484	0.2
184.07289	1.4
187.07468	0.1
189.12695	0.2
204.08405	0.1
204.10172	1.8
216.10132	1.0
227.21091	1.6
229.14403	0.1
233.12802	0.8
255.20634	2.8
261.19580	4.4
267.15976	0.1
279.11349	0.1
289.19055	9.0
290.19357	0.1
346.21237	1.3
348.36594	0.1
374.20703	2.1
380.19626	0.3
408.19138	1.0
447.27460	0.3
662.39001	7.2
663.38995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77174	0.3
53.03931	0.8
55.01849	0.6
55.05495	4.9
57.03426	5.9
57.07064	0.5
58.06593	0.4
61.02900	1.2
65.03921	0.4
67.05490	14.3
69.03410	2.0
69.07054	4.8
70.06573	0.3
71.01334	1.1
71.04983	2.2
71.79486	0.5
72.04437	0.3
73.02899	0.6
79.05476	12.5
81.03399	15.3
81.07040	10.9
82.07365	0.5
83.04961	5.6
83.08609	6.5
85.02882	5.7
85.06522	1.0
86.09693	0.8
91.03918	0.6
91.04903	0.7
91.05460	11.6
93.07024	13.7
94.07397	0.4
95.04948	6.6
95.08583	5.5
97.02866	1.3
97.06509	3.9
97.10144	2.9
99.04443	0.5
99.08041	0.6
105.07008	9.3
106.07310	0.5
107.04916	1.8
107.08572	11.0
108.08889	0.6
109.06485	1.3
109.10129	4.9
110.10494	0.9
111.04402	1.3
111.08050	3.5
113.05972	0.6
114.12774	6.7
115.05407	0.6
117.07019	2.1
117.27170	0.3
119.08568	6.1
120.08833	0.5
121.06476	0.8
121.10113	4.7
122.10426	0.5
123.08024	1.0
123.11667	1.5
124.12028	0.6
125.06006	0.5
125.09581	0.9
129.05501	0.4
129.06987	2.6
130.07777	0.4
131.08542	3.3
132.08046	0.8
133.06439	0.7
133.08844	8.2
133.10092	5.1
134.10493	0.4
135.07986	1.0
135.11664	13.5
136.11993	0.6
137.09604	0.3
137.13213	0.7
143.08517	0.6
145.10121	3.4
147.08011	1.2
147.11649	4.8
148.11176	100.0
149.09552	2.2
149.11462	0.7
149.13275	0.4
150.13559	0.4
151.11166	0.4
153.12682	0.7
157.10100	3.9
159.11656	0.9
161.09584	0.5
161.13181	0.3
163.07504	0.5
163.11154	1.6
165.12737	1.2
173.13234	0.6
174.13777	0.4
174.34288	0.3
175.11153	3.6
175.14757	0.5
181.12212	2.6
184.07323	1.4
187.14729	0.6
189.12724	1.7
189.16402	0.4
190.95454	0.3
191.17880	0.4
193.12190	10.0
199.13248	0.4
201.16354	0.4
204.10106	0.6
211.13242	11.8
216.10129	0.4
229.14381	0.4
233.12843	0.6
249.14946	0.4
255.15866	23.7
259.09665	1.3
261.19586	3.6
267.15842	9.1
277.95334	0.4
285.16888	8.3
289.19049	5.4
346.21057	1.0
369.27747	0.8
370.28113	0.9
374.20712	1.2
396.33224	0.5
399.20258	0.3
421.25797	0.9
447.27313	22.8
448.27579	0.9
455.35175	0.6
456.35526	1.8
465.28394	29.4
466.28601	0.9
468.35092	0.4
474.87970	0.4
662.24359	0.5
662.27258	0.5
662.39270	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	661.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71300	1.9
53.03943	2.2
55.05500	11.9
57.03430	2.5
57.07054	4.9
67.05492	42.5
69.03398	2.6
69.07055	52.4
69.47062	4.1
69.47464	16.5
77.54681	1.7
79.05477	17.9
81.07041	55.0
81.07523	2.7
83.04963	22.8
83.08613	8.4
85.02891	47.3
87.96735	1.7
91.05466	16.9
93.07029	39.8
95.04963	3.8
95.08590	70.5
96.08891	2.3
97.02847	1.7
97.06524	7.5
97.10147	5.6
102.21384	1.7
105.06998	33.0
107.04916	2.8
107.08013	1.1
107.08569	58.7
109.06493	6.1
109.10138	100.0
111.04430	13.4
111.08009	3.5
111.11687	4.2
114.12773	8.5
117.06992	5.5
119.08557	46.3
121.06487	4.5
121.10125	49.2
121.10957	3.0
123.08034	4.2
123.10848	3.5
123.11684	43.9
125.09609	2.3
127.03902	3.2
129.05452	5.8
129.06963	2.8
131.08522	12.2
132.38937	1.8
133.06491	1.7
133.10101	37.6
135.08026	8.1
135.11670	43.7
137.13235	17.2
139.11183	2.2
143.08540	9.1
145.10086	23.7
147.08028	3.2
147.11638	20.1
148.11179	36.6
149.09573	4.5
149.13261	15.7
151.07545	2.2
151.11208	1.7
151.14819	3.2
153.09145	3.3
153.12665	2.0
155.08488	2.2
157.10078	13.0
157.32010	1.7
159.07990	2.9
159.11659	22.4
161.09653	3.0
161.13234	15.3
163.07542	10.0
163.11102	3.2
163.14803	12.9
165.09122	3.5
169.10086	3.1
171.06500	32.7
171.11671	9.9
172.12433	1.7
173.09595	1.9
173.13240	16.8
175.14751	12.5
177.09108	8.6
177.12769	2.1
177.16367	4.9
179.10614	8.7
181.10110	2.0
183.11665	3.1
185.13249	7.9
187.14787	20.4
189.07549	13.4
189.08990	2.9
189.12744	2.8
189.16351	12.8
191.10587	5.0
191.17944	12.6
193.12234	2.1
193.19525	8.3
196.12463	1.8
197.13268	3.7
199.14842	6.7
201.16322	12.9
203.10677	4.6
203.17854	9.3
205.19460	3.2
211.14767	2.9
213.16330	6.7
215.17906	5.0
217.19571	3.9
219.13707	4.6
219.21130	3.8
223.14844	2.4
225.16493	1.8
227.14432	2.0
227.17905	3.5
231.13747	2.8
233.15349	3.2
241.19577	2.4
243.21078	1.8
245.15309	5.5
247.16869	7.5
255.20969	3.4
257.15182	2.2
259.17001	3.5
265.19501	2.1
273.18411	2.8
299.20148	3.6
301.21637	2.6
309.25732	3.5
313.21530	3.8
315.23212	5.6
323.27319	6.2
327.23328	2.1
333.25745	2.7
341.28433	3.0
351.26721	6.0
369.27863	51.9
370.27930	2.2
377.31805	4.0
381.27582	2.3
384.65485	2.0
387.28851	6.5
395.33084	11.7
399.28976	2.1
409.34241	2.9
437.34177	19.9
447.26581	2.4
455.35159	69.3
456.35229	4.8
497.18130	3.6
556.19513	2.0
574.52112	2.2
622.17395	2.0
629.22070	7.9
630.22681	2.0
661.24402	3.7
661.41010	2.8
662.38763	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	661.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.05508	15.7
57.03431	2.9
57.07068	3.8
62.43075	1.6
67.05496	32.9
69.03409	3.4
69.07059	53.4
69.33955	1.6
70.79564	1.6
71.04984	14.2
79.05478	17.2
81.07043	55.8
83.04977	13.2
83.08613	6.6
85.02892	8.7
91.05476	18.8
93.07036	42.0
95.04973	4.9
95.08591	67.8
96.17129	1.7
97.06537	3.8
97.10141	4.4
98.20633	3.2
105.07019	35.2
107.08578	59.9
109.06483	3.3
109.10143	100.0
110.10484	2.5
110.41824	1.9
111.04411	12.8
111.08083	3.4
111.11684	4.2
113.05979	4.3
115.92317	1.9
117.06990	5.2
119.08564	44.0
121.06505	4.1
121.10132	49.7
121.10969	3.8
123.08089	3.7
123.11691	48.6
125.09604	2.9
129.05472	15.3
129.07005	2.6
131.08553	11.3
133.10117	32.4
133.66966	2.1
135.08044	6.3
135.11671	52.1
137.13217	15.8
139.07509	3.7
143.08545	8.1
145.10088	20.9
147.08023	5.1
147.11681	22.7
149.09604	4.3
149.13214	16.6
151.07507	4.5
151.14844	4.7
153.09013	2.5
153.12726	3.5
157.10123	13.5
159.08133	2.6
159.11693	25.3
161.09610	3.8
161.13252	20.2
163.07510	13.7
163.14787	15.2
165.09140	3.2
169.10121	4.3
171.06572	3.8
171.11726	7.6
173.09688	3.3
173.13220	17.8
175.14827	12.2
177.09093	6.8
177.12743	3.0
177.16374	4.9
179.10661	7.2
183.11667	3.6
185.13251	9.6
187.14790	18.4
189.07593	11.9
189.09091	3.6
189.12761	2.5
189.16319	11.9
191.10558	3.6
191.17949	11.9
193.19527	7.3
195.11757	2.0
197.13249	4.3
199.14775	8.5
201.12715	2.2
201.16360	10.2
203.10632	3.2
203.17921	12.8
205.12221	2.6
205.19522	3.3
209.13402	2.4
213.16414	6.4
215.17825	3.9
217.12282	3.4
217.19522	3.2
219.13776	2.3
219.20988	3.2
224.15292	1.8
227.17995	2.4
229.19537	4.5
231.13812	4.6
233.15378	6.1
241.19444	3.1
243.21048	2.7
245.15379	7.3
247.16905	5.7
255.21034	2.6
259.17041	3.4
273.18539	3.5
275.19955	2.2
285.18539	3.9
287.20334	2.6
299.19992	3.3
309.25760	4.1
313.21500	4.0
315.23257	5.0
323.27261	6.3
327.26752	2.6
347.16742	1.9
351.26736	6.7
353.10275	3.2
369.23291	2.7
369.27875	51.6
370.28076	3.8
377.32071	3.1
381.27930	2.1
387.28851	6.9
395.33142	9.0
396.33456	2.1
419.33081	3.3
437.34137	21.4
455.35156	76.7
456.35483	5.1
661.40521	3.2
668.41498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.05508	15.7
57.03431	2.9
57.07068	3.8
62.43075	1.6
67.05496	32.9
69.03409	3.4
69.07059	53.4
69.33955	1.6
70.79564	1.6
71.04984	14.2
79.05478	17.2
81.07043	55.8
83.04977	13.2
83.08613	6.6
85.02892	8.7
91.05476	18.8
93.07036	42.0
95.04973	4.9
95.08591	67.8
96.17129	1.7
97.06537	3.8
97.10141	4.4
98.20633	3.2
105.07019	35.2
107.08578	59.9
109.06483	3.3
109.10143	100.0
110.10484	2.5
110.41824	1.9
111.04411	12.8
111.08083	3.4
111.11684	4.2
113.05979	4.3
115.92317	1.9
117.06990	5.2
119.08564	44.0
121.06505	4.1
121.10132	49.7
121.10969	3.8
123.08089	3.7
123.11691	48.6
125.09604	2.9
129.05472	15.3
129.07005	2.6
131.08553	11.3
133.10117	32.4
133.66966	2.1
135.08044	6.3
135.11671	52.1
137.13217	15.8
139.07509	3.7
143.08545	8.1
145.10088	20.9
147.08023	5.1
147.11681	22.7
149.09604	4.3
149.13214	16.6
151.07507	4.5
151.14844	4.7
153.09013	2.5
153.12726	3.5
157.10123	13.5
159.08133	2.6
159.11693	25.3
161.09610	3.8
161.13252	20.2
163.07510	13.7
163.14787	15.2
165.09140	3.2
169.10121	4.3
171.06572	3.8
171.11726	7.6
173.09688	3.3
173.13220	17.8
175.14827	12.2
177.09093	6.8
177.12743	3.0
177.16374	4.9
179.10661	7.2
183.11667	3.6
185.13251	9.6
187.14790	18.4
189.07593	11.9
189.09091	3.6
189.12761	2.5
189.16319	11.9
191.10558	3.6
191.17949	11.9
193.19527	7.3
195.11757	2.0
197.13249	4.3
199.14775	8.5
201.12715	2.2
201.16360	10.2
203.10632	3.2
203.17921	12.8
205.12221	2.6
205.19522	3.3
209.13402	2.4
213.16414	6.4
215.17825	3.9
217.12282	3.4
217.19522	3.2
219.13776	2.3
219.20988	3.2
224.15292	1.8
227.17995	2.4
229.19537	4.5
231.13812	4.6
233.15378	6.1
241.19444	3.1
243.21048	2.7
245.15379	7.3
247.16905	5.7
255.21034	2.6
259.17041	3.4
273.18539	3.5
275.19955	2.2
285.18539	3.9
287.20334	2.6
299.19992	3.3
309.25760	4.1
313.21500	4.0
315.23257	5.0
323.27261	6.3
327.26752	2.6
347.16742	1.9
351.26736	6.7
353.10275	3.2
369.23291	2.7
369.27875	51.6
370.28076	3.8
377.32071	3.1
381.27930	2.1
387.28851	6.9
395.33142	9.0
396.33456	2.1
419.33081	3.3
437.34137	21.4
455.35156	76.7
456.35483	5.1
661.40521	3.2
668.41498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.48485	0.5
59.66672	0.5
61.54403	0.6
62.88560	0.6
67.05487	2.4
69.03423	1.2
69.07051	1.9
71.04969	1.3
71.30809	1.4
78.14595	0.5
79.05468	1.8
81.03412	0.8
81.07042	3.0
82.65031	0.6
83.04966	0.7
83.08605	0.7
85.02859	1.2
91.05465	2.0
93.07033	2.7
94.06551	2.9
95.04930	0.9
95.08569	2.8
96.04558	0.7
102.98911	0.7
104.04901	0.7
105.07013	1.5
106.06542	1.9
107.08579	2.8
108.08102	1.1
109.10129	3.9
116.04908	0.8
117.03309	0.7
119.08576	1.6
120.08073	1.7
121.06436	0.6
121.10112	2.1
122.06012	12.5
123.11689	1.4
131.08533	0.9
133.10121	1.9
134.05989	2.2
135.07983	1.0
135.11671	2.0
136.07553	14.2
145.02838	1.4
145.10098	1.4
146.05974	8.3
146.09607	0.9
147.04369	2.3
147.11646	0.8
148.07530	10.3
150.09132	1.6
151.11180	0.7
152.07053	4.7
159.11685	0.9
161.13168	0.6
162.05525	1.3
162.09038	0.8
163.14813	0.9
164.05750	1.2
164.07053	16.6
166.08611	16.6
168.06552	3.0
172.03868	5.2
173.04724	1.6
173.13278	0.8
174.05489	3.8
174.09132	1.8
176.07037	15.9
177.05432	3.1
188.22144	0.6
190.04964	3.8
191.05727	2.1
192.06549	1.0
197.10716	0.9
204.06563	6.7
206.08142	1.0
207.06421	0.7
208.09590	1.4
209.10840	0.9
210.11543	2.1
211.08597	0.7
211.12254	2.0
218.08174	1.1
221.10651	1.9
222.11441	1.4
223.12250	2.2
224.09415	1.6
224.13011	0.8
225.10077	3.1
225.13733	0.7
226.10872	0.7
227.11769	1.5
229.13251	1.1
235.08655	1.4
235.12282	2.7
236.09465	0.7
236.13045	1.4
237.10118	8.4
237.13898	2.3
238.10980	11.3
239.11754	13.6
243.11345	1.4
246.07635	1.1
248.09486	1.2
249.10173	4.9
250.11005	3.6
251.11771	11.7
252.09029	0.8
252.12476	1.8
253.13330	2.5
255.11191	1.6
261.10342	0.8
262.11142	1.2
263.07446	0.7
263.11725	13.9
264.08752	1.4
264.12485	3.0
265.09695	5.3
265.13327	25.6
266.10312	1.9
266.13797	1.9
267.11270	5.8
269.12784	2.0
270.13467	0.8
271.11145	1.0
271.14334	9.5
275.11627	1.5
277.09702	3.2
277.13312	2.3
277.16357	0.8
278.10306	3.4
279.11240	100.0
280.11804	9.4
281.12833	3.8
282.13544	1.6
283.10672	1.6
283.14236	1.9
284.11386	1.8
285.12238	1.3
287.13687	3.1
289.11783	1.6
289.15427	4.0
291.11179	5.2
292.11942	0.8
293.12799	7.5
294.13510	1.8
295.10745	3.2
295.14465	2.4
296.11688	3.7
296.14774	0.6
297.12296	58.5
298.13004	11.1
299.13925	0.7
309.12280	37.5
310.13025	18.9
310.16699	0.6
311.13809	4.6
313.11713	1.6
315.13452	5.2
319.10748	4.3
321.12329	11.1
322.13037	1.2
323.10120	1.6
323.13736	0.8
324.10977	2.4
325.11664	4.7
326.12613	1.2
337.11768	53.6
338.12515	21.5
339.13336	65.1
340.13837	5.8
341.11243	3.8
341.14883	0.7
359.12299	2.6
369.14450	13.0
369.27686	0.8
370.15082	3.5
371.15967	37.4
372.16492	1.7
373.13910	2.2
384.17157	0.8
385.13785	2.0
392.19675	1.1
399.15836	0.6
400.16382	2.2
416.07297	0.6
418.17407	1.2
420.19223	1.2
432.19064	0.9
437.34100	0.8
442.17599	4.5
443.17719	0.8
446.17398	0.7
455.35013	2.5
460.18607	59.2
461.19238	5.4
462.20459	1.0
465.18579	1.3
466.20023	4.7
478.19638	2.9
483.80731	0.6
492.17383	1.4
493.18344	1.3
494.19281	3.6
506.19180	49.6
507.19699	5.1
508.20645	9.4
524.20160	3.0
538.13904	1.2
538.21759	20.6
539.22186	1.8
540.23309	0.9
611.24854	3.2
629.25977	52.9
630.26239	3.6
647.02991	0.6
661.28790	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	661.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86678	0.9
53.03925	1.7
53.42596	0.9
54.20631	1.0
55.01854	1.7
55.05500	6.8
57.03416	2.0
57.07058	1.9
61.02913	1.0
63.92120	0.9
64.45347	1.0
65.03919	1.4
67.05495	16.7
69.03410	6.5
69.07059	23.7
70.06564	1.8
71.04986	8.9
71.79723	1.7
72.08141	3.0
79.05489	8.2
81.03393	2.9
81.06590	1.9
81.07045	21.4
83.04972	7.3
83.08598	6.3
85.02877	7.4
85.06524	1.9
86.09719	2.3
87.04459	1.4
91.05466	12.9
93.07032	21.3
94.06537	2.5
95.04946	3.6
95.08596	31.0
96.14187	1.2
97.02863	2.1
97.06493	3.8
97.07646	1.6
97.10149	3.7
105.07025	17.2
106.06454	2.3
107.04910	2.2
107.08577	25.0
108.08114	1.9
109.02841	1.3
109.06487	2.7
109.10143	40.8
110.02406	2.3
111.04438	6.7
111.08054	2.3
111.11669	1.3
114.10284	2.9
117.05482	1.2
117.06957	2.0
119.04904	4.0
119.08568	19.1
120.08057	1.1
121.06510	1.6
121.10127	22.1
122.06020	10.1
123.08031	1.9
123.10853	2.0
123.11689	23.3
125.09595	1.7
127.03940	1.5
129.05443	8.0
129.06981	1.1
131.04893	1.0
131.08569	6.8
131.12885	1.1
133.10107	18.5
134.06004	2.8
135.08066	3.4
135.11678	19.6
136.07564	14.7
137.05966	1.6
137.13237	7.3
139.07520	1.6
139.11163	1.5
143.08499	4.8
145.02870	1.2
145.10086	11.5
146.05995	8.0
147.03284	1.6
147.04393	18.3
147.08046	1.5
147.11673	11.3
148.07542	10.3
149.09593	2.4
149.13235	7.9
150.09081	1.5
151.07521	1.5
151.14784	1.7
152.07019	6.8
153.05476	1.1
156.09393	1.4
157.10118	6.5
159.08051	1.3
159.11699	10.9
161.13225	8.4
162.05460	1.4
163.03934	1.1
163.07497	5.3
163.14790	6.1
164.07036	14.3
165.09122	1.3
166.08632	11.7
167.10660	1.5
168.06546	2.5
169.10135	1.4
170.08089	2.2
171.06537	2.3
171.11659	4.9
172.03951	5.5
173.04643	1.1
173.13217	7.8
174.05502	4.5
174.09196	1.0
175.03860	3.1
175.11185	1.4
175.14818	6.0
176.07045	14.8
177.05479	2.7
177.09123	2.9
177.16322	2.1
179.10617	3.3
183.11638	1.7
184.07315	2.5
185.13261	4.0
187.14763	9.5
189.07558	5.2
189.16426	5.1
190.04953	4.6
191.05679	2.1
191.10605	2.7
191.14311	1.4
191.17847	6.3
192.06509	1.3
193.12221	1.4
193.19493	3.0
195.11540	1.2
197.13184	2.1
199.14789	3.3
201.12654	1.3
201.16330	4.2
203.10629	1.2
203.14325	1.2
203.17934	4.6
204.06552	6.6
205.12152	1.4
205.19339	1.3
206.08115	2.3
207.06471	6.5
207.17395	1.3
210.11470	1.2
211.12206	2.0
211.14807	2.1
213.16396	2.0
215.11830	2.0
215.14302	1.3
215.18013	2.1
218.08122	1.4
218.11716	1.6
219.13800	1.4
219.21191	1.3
221.10802	1.7
223.12318	1.6
223.14651	1.2
224.09370	2.5
224.13141	1.3
225.10204	3.5
225.16336	2.3
227.11772	1.6
227.17900	1.6
229.12991	3.8
229.19449	1.5
231.13759	2.2
233.15274	2.2
235.08743	1.4
235.12236	1.6
236.09424	1.4
236.12894	1.6
237.10104	6.5
237.13860	2.3
238.10970	11.1
239.11734	13.6
239.17833	1.3
241.13394	1.2
243.11241	5.7
245.15372	3.2
246.07507	1.2
247.16791	2.7
248.09245	1.3
249.10233	5.1
250.10982	4.3
251.11818	15.2
252.12494	1.8
253.13400	3.6
255.11172	3.0
259.16931	1.3
261.10236	1.4
262.11011	1.5
263.11749	13.4
264.08853	2.2
264.12262	2.3
265.09732	6.8
265.13327	31.8
266.10345	1.9
266.13962	1.7
267.11179	4.3
269.12759	3.2
271.14438	10.8
275.11673	2.5
277.09744	3.1
277.13458	2.2
277.16400	2.4
278.10471	3.5
279.11255	100.0
280.11874	8.4
281.12762	4.6
283.10660	3.1
283.13998	1.8
284.11472	1.8
285.12228	9.2
285.18585	1.7
287.13950	2.8
289.11899	2.4
289.15381	4.1
291.11194	5.7
292.12051	2.1
293.09949	1.5
293.12851	8.1
294.13553	3.4
295.10681	6.7
295.14337	2.6
296.11627	3.4
297.12299	57.2
298.13062	10.4
299.20163	2.2
309.12305	40.9
309.25626	1.4
310.13065	18.6
311.13855	9.7
313.11737	2.1
315.13416	8.8
315.23071	1.8
317.15085	8.3
317.18283	1.8
319.10785	5.0
321.12302	12.2
323.10129	2.2
323.27155	2.1
324.10919	2.5
325.12024	5.3
326.12521	1.4
337.11768	62.9
338.08380	1.2
338.12515	24.7
339.13367	69.3
340.13757	5.0
341.11200	3.8
351.26913	2.1
353.10431	1.2
359.12433	2.0
369.14453	15.3
369.27789	19.9
370.14911	3.3
371.15973	53.2
372.16388	3.2
373.13733	2.8
377.32285	1.6
385.13782	2.0
387.28723	3.6
395.32825	3.6
399.15616	1.5
399.28839	1.8
400.16663	4.0
416.19360	1.3
418.17477	1.5
419.33142	1.8
432.19025	1.4
437.34186	8.1
442.17355	3.4
455.35211	33.4
460.18637	53.6
461.18881	6.3
466.19537	3.6
473.36307	1.7
474.36630	1.8
478.19571	4.3
492.21860	1.9
494.19003	1.9
506.19189	52.7
507.19525	5.7
508.20670	11.6
524.20313	5.3
538.21729	25.6
539.22235	4.1
569.25861	2.0
611.24957	4.3
629.26019	71.2
630.26245	4.3
661.28424	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	660.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03938	1.3
55.01857	0.8
55.05504	5.4
55.99953	0.3
57.03428	6.4
57.07067	1.3
61.02921	1.9
65.03931	1.0
67.05492	31.6
68.05835	0.3
69.03416	0.6
69.07056	11.2
70.76139	0.3
71.01334	0.3
71.04972	2.5
71.08617	0.5
71.79044	0.4
73.02905	0.9
77.03893	0.3
79.05478	16.0
80.05807	0.3
81.03408	1.9
81.07041	42.0
82.07363	0.6
83.04964	3.8
83.08607	7.8
85.02893	1.8
85.06530	2.3
90.76361	0.2
91.03940	0.7
91.05466	9.4
93.07028	31.5
95.04956	3.2
95.08588	9.9
95.09184	0.6
97.02871	1.1
97.06516	7.3
97.10138	0.9
99.04450	0.5
99.08070	1.5
103.15497	0.3
105.07013	3.7
107.04940	0.5
107.08576	17.9
109.06510	1.7
109.10138	2.2
111.08064	4.4
111.11697	0.4
111.97046	0.2
113.05981	0.4
113.09634	0.8
115.05477	0.4
117.07004	4.3
119.08554	1.8
121.06496	0.9
121.10121	11.6
122.10422	0.3
123.08055	0.6
123.11700	1.4
125.06009	0.4
125.09596	0.7
127.03914	0.5
131.08540	5.8
133.10115	4.6
135.08018	1.1
135.11658	4.9
139.11172	0.9
145.10043	0.6
147.11673	1.1
149.09543	1.2
149.13232	20.9
150.13535	0.6
151.11121	0.4
157.10118	0.4
159.11656	8.6
167.14291	0.5
171.11560	0.3
177.12730	3.7
185.13312	0.3
194.98277	0.3
195.13763	6.3
213.14859	1.1
236.19875	0.3
241.90158	0.3
251.16396	0.5
267.15710	0.5
269.17429	53.8
270.17834	0.7
276.20267	0.3
445.29187	0.4
463.30481	100.0
464.30777	2.8
477.29211	0.3
660.43768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01860	1.1
55.05270	0.4
55.05509	6.4
57.03431	4.7
57.07057	0.9
60.89417	0.3
61.02932	4.1
65.03919	1.2
67.05496	30.2
69.03409	1.3
69.07063	10.0
71.04987	3.2
71.08569	0.4
73.02866	0.8
79.05483	17.3
81.03406	2.7
81.07047	41.4
82.07366	0.6
83.04966	3.2
83.08608	8.9
85.02898	4.0
85.06523	2.6
91.03939	1.3
91.05467	12.3
93.07034	27.9
95.04958	3.7
95.08595	12.0
97.02869	1.5
97.06525	4.6
97.10149	1.2
99.04446	0.6
99.08060	1.2
99.73502	0.5
105.07017	7.4
107.04946	1.1
107.08579	18.0
109.06491	2.1
109.10149	4.1
111.08076	3.8
113.06026	0.4
113.09566	0.6
117.07005	5.2
119.08585	4.8
121.06494	1.8
121.10137	8.5
123.08044	0.8
123.11695	2.5
125.09620	0.8
127.03948	0.5
128.06200	0.5
129.07014	1.9
131.08557	8.5
132.08945	0.5
133.06522	0.6
133.10112	9.2
135.08070	1.8
135.11678	6.3
136.67216	0.4
137.09566	0.4
139.07539	0.4
139.11168	0.8
141.06976	0.7
143.08580	1.9
145.10117	2.9
147.08049	0.7
147.11676	2.0
149.09657	0.8
149.13235	13.5
151.11174	1.2
153.09068	0.5
155.08585	1.4
157.10106	1.9
159.08110	0.7
159.11671	7.0
161.09631	0.5
163.11154	0.6
167.08543	0.6
169.10089	1.0
171.11676	1.5
173.04375	0.7
173.09506	0.4
173.13234	0.9
177.12726	3.3
181.10046	0.6
183.11656	0.5
185.13281	1.1
187.14864	0.4
189.12750	0.5
193.12267	0.6
195.11946	0.6
195.13770	7.0
197.13174	0.7
199.14880	0.4
207.13721	0.4
209.13242	0.8
211.15001	0.4
213.14780	0.9
233.15305	0.5
251.16391	2.2
261.14694	0.4
267.15982	0.6
269.17435	28.1
270.18008	0.8
307.16556	0.4
325.25317	0.5
335.23706	0.6
343.26340	0.4
353.24799	3.3
371.25677	2.1
389.26837	1.8
395.20648	0.5
413.21808	0.6
427.28421	0.8
435.27084	0.6
445.29489	17.7
446.29962	0.9
463.30511	100.0
464.30920	4.2
470.36176	0.4
481.31979	2.1
487.30069	0.7
571.33081	0.6
607.34583	5.9
621.15802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32783	0.3
53.03934	0.9
55.01860	0.8
55.05503	5.6
57.03429	3.3
57.07050	0.6
59.05014	0.3
60.19373	0.3
61.02919	2.3
61.08676	0.3
63.41893	0.3
65.03926	0.9
66.61195	0.3
67.05494	24.4
68.05836	0.3
69.03412	0.6
69.07059	7.8
71.04977	2.0
71.08603	0.4
73.02903	1.1
79.05479	14.1
80.05776	0.3
81.03413	1.8
81.07041	34.0
83.04958	2.3
83.08603	7.3
85.02883	2.2
85.06531	1.9
85.60328	0.3
86.09669	0.3
91.03933	1.0
91.05000	0.2
91.05458	10.3
93.07028	23.4
95.04955	2.4
95.08588	9.7
96.77261	0.3
97.02869	1.3
97.06516	4.7
97.10155	1.2
98.20707	0.6
99.08080	0.9
105.07012	5.3
107.04953	1.0
107.08572	14.9
109.06505	1.5
109.10134	2.6
110.03210	0.3
111.08060	2.6
113.09637	0.4
117.07001	4.9
119.08549	2.9
121.06495	1.5
121.10124	7.2
123.08071	0.6
123.11684	1.7
125.09595	0.6
127.03900	0.4
129.06966	1.5
131.08540	6.5
133.10109	7.1
135.08052	0.7
135.11670	5.4
137.09599	0.5
141.06989	0.3
142.07695	0.4
143.08551	1.2
145.04993	0.4
145.10110	1.6
147.08061	0.4
147.11671	1.1
149.09598	0.6
149.13228	10.8
151.11171	0.8
155.08508	0.8
157.10121	0.9
159.11661	6.2
161.13281	0.5
167.14214	0.4
169.10103	0.6
171.11705	0.4
173.13280	0.5
177.12683	2.3
181.10083	0.5
183.11674	0.6
185.13263	0.5
187.14740	0.3
195.11935	0.2
195.13763	5.9
197.13290	0.4
213.14798	0.6
229.41772	0.3
233.15479	0.3
237.16531	0.3
251.16394	1.4
259.68057	0.3
261.01175	0.3
269.17426	22.1
270.37958	0.4
335.23615	0.5
343.25961	0.4
353.24747	1.5
371.25818	1.1
389.26901	1.0
427.28369	0.9
445.29395	11.4
446.30106	0.5
463.30478	100.0
464.30945	2.4
481.31409	0.9
482.87271	0.3
528.25922	0.3
607.34558	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	658.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80457	1.5
53.03940	1.8
55.01850	3.6
55.05507	16.1
57.03201	1.3
57.03438	11.8
57.07069	37.2
61.82811	1.4
67.05495	64.6
69.03425	1.8
69.07059	22.3
69.71153	9.5
69.71561	2.8
71.04979	1.7
71.08252	1.4
71.08623	27.1
78.74484	1.4
79.05482	22.0
81.06597	3.0
81.07044	46.7
83.04958	4.0
83.08610	19.0
85.06536	2.9
85.10178	14.1
87.04460	1.4
89.06033	8.4
91.05473	19.2
93.07030	25.2
94.07401	1.8
95.04948	4.5
95.08593	36.5
97.06518	5.3
97.10158	14.3
98.98486	1.7
105.07027	13.3
107.04952	2.3
107.08577	20.2
109.10144	48.7
111.08084	4.6
113.10703	1.7
117.06989	6.3
119.07805	2.4
119.08572	16.5
121.06494	1.8
121.10138	8.1
123.08072	1.9
123.11680	4.6
125.09573	8.4
129.07033	1.9
131.08565	7.1
133.08585	4.9
133.10083	8.8
135.08002	3.1
135.11671	4.7
137.09576	3.5
137.13271	1.6
140.21404	1.5
143.08537	1.9
145.10092	7.0
147.08031	3.0
147.11667	4.8
149.09561	3.1
149.13202	5.1
155.10605	1.8
157.10098	1.8
159.08006	2.0
159.11673	5.1
161.13240	2.0
163.11189	2.2
171.11665	2.6
173.11749	8.9
173.13013	2.0
177.11124	2.4
177.12782	2.5
189.11243	3.8
227.12750	18.8
229.14320	58.4
239.17978	1.6
239.23613	2.5
251.16196	2.0
257.19000	3.4
269.17493	18.2
275.20004	24.5
289.17908	2.3
293.21005	4.5
299.43356	1.5
313.27328	100.0
314.27725	2.6
335.25674	2.7
349.23669	19.7
367.24615	15.6
409.33185	1.9
467.37286	39.7
483.98300	1.7
491.40515	1.5
498.55435	1.8
505.38492	1.6
507.40442	32.7
529.38702	6.2
587.46606	25.4
605.47729	16.8
623.43146	2.4
626.18713	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	660.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.03938	0.8
55.01841	0.1
57.03410	0.4
60.42145	0.1
60.55620	0.1
61.02900	0.2
63.60772	0.1
66.01064	0.1
67.05480	0.1
68.05019	0.8
69.03419	2.2
70.06585	0.7
71.04967	0.3
71.41031	0.3
72.08140	0.1
73.02892	0.4
75.99315	0.1
78.18394	0.1
79.01828	0.4
79.05485	0.3
80.04999	1.6
81.03403	7.3
81.07024	0.2
84.08107	0.2
84.48792	0.1
85.02888	2.4
86.09682	0.4
91.05434	0.3
93.07040	0.2
94.04182	0.2
95.01310	2.8
95.04948	0.2
97.02875	5.8
99.04437	1.1
103.05456	0.3
105.07006	0.3
107.04945	0.2
108.04456	3.2
109.02861	4.0
110.06020	0.8
111.04379	0.1
114.09142	1.0
114.12784	0.3
117.06946	0.1
119.04901	0.1
122.03639	0.5
124.03934	0.2
126.05519	0.9
127.03890	2.8
129.06898	0.1
130.08548	0.2
131.04898	0.5
133.06477	0.6
135.08026	0.2
136.03912	100.0
137.04370	1.4
137.05940	8.1
138.06328	0.2
139.03964	0.2
145.02802	0.5
145.04901	0.4
145.06409	0.3
149.05936	0.2
151.07500	0.6
154.04959	48.4
155.05287	0.5
159.08067	0.2
161.05945	0.2
163.03862	0.4
163.07478	1.1
171.08037	0.3
174.06766	0.2
174.11176	0.3
175.07547	0.4
177.05383	1.1
177.09105	0.2
178.05779	0.3
189.09123	0.3
196.06015	0.5
203.10703	0.8
207.06487	0.2
219.10242	0.3
236.14006	0.1
238.06946	0.3
256.08078	1.0
262.07117	0.4
268.14056	0.2
280.08109	13.0
281.08524	0.2
294.63629	0.1
295.13208	0.4
298.09158	36.6
299.09537	0.9
304.13504	0.2
316.07550	0.1
316.10303	1.3
327.15723	0.8
351.15811	0.1
360.49582	0.1
498.21335	0.2
635.63391	0.1
660.25696	0.5
660.36469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01850	2.4
55.05502	11.0
57.03415	3.6
58.40939	0.8
58.92247	1.0
59.04993	1.1
61.02914	5.0
67.05493	20.3
67.30867	0.9
69.03407	4.3
69.07056	8.7
71.04974	2.2
71.79185	1.6
73.02902	3.0
79.05482	19.5
81.03391	5.0
81.06592	1.6
81.07041	24.1
83.04960	4.1
83.08598	8.8
85.02889	10.6
85.06512	3.9
86.09690	1.2
91.03936	3.5
91.05461	20.6
93.07028	19.6
95.04958	5.2
95.08592	15.0
97.02873	7.8
97.06499	4.4
97.10188	4.8
99.04391	1.8
99.08078	1.5
103.05462	1.0
105.07012	22.3
106.07322	1.6
107.04943	5.1
107.08567	9.6
109.02853	1.4
109.06495	3.4
109.10135	8.0
111.08057	3.0
115.03855	1.6
115.05415	2.7
117.07008	14.3
117.41126	0.9
118.07387	0.9
119.04942	1.6
119.08569	14.6
121.06491	4.3
121.10130	7.5
123.08032	2.8
123.11668	1.8
125.09589	3.9
127.03915	2.5
128.06206	3.5
129.05464	1.9
129.06989	18.1
131.08537	22.6
133.06456	3.6
133.10124	8.1
135.08008	4.0
135.11702	2.9
137.05957	1.0
137.09572	2.2
141.06964	7.2
142.07742	1.9
143.08539	16.1
145.06456	5.6
145.10110	11.8
147.08000	5.1
147.11646	4.2
149.09586	3.9
149.13222	1.8
155.08516	12.4
156.09399	0.9
157.06451	1.6
157.10101	8.7
159.08018	3.5
159.11650	6.3
161.09534	2.2
163.11101	2.3
165.09160	1.2
165.12732	1.2
167.08539	5.3
169.10089	7.9
171.08035	2.2
171.11673	6.0
173.09647	1.6
173.13184	3.2
173.70772	1.0
175.11177	1.5
177.12651	1.6
179.08542	1.8
181.10069	6.6
183.11630	6.8
185.09579	2.3
185.13237	4.2
187.11108	2.4
187.14775	1.4
193.10107	2.7
195.11639	4.6
197.09409	1.1
197.13200	3.9
198.99734	0.9
199.11133	1.2
199.14815	2.6
201.12703	1.4
207.11647	2.4
209.13235	3.1
211.11230	1.3
211.14813	2.7
213.12772	1.8
213.16385	1.4
215.14337	2.0
217.15921	1.2
219.13789	1.3
221.13168	4.1
223.14735	4.3
225.12610	1.5
225.16252	2.2
231.13844	1.1
233.15356	1.7
235.14731	2.9
239.14302	2.4
245.15315	1.4
245.19023	1.1
249.16190	1.6
253.15947	2.3
257.15399	2.1
259.16830	1.6
265.09888	1.3
271.16827	2.1
279.10559	1.1
303.51321	0.9
323.23685	3.5
333.21964	3.6
341.24744	4.5
351.23117	16.4
369.24179	15.3
387.25220	9.6
425.26730	5.2
443.27887	100.0
444.27997	6.1
460.21115	1.2
460.34573	1.2
461.28918	92.8
462.29211	3.4
476.17908	1.4
479.29276	1.2
503.29761	1.1
504.17407	2.8
605.32764	1.4
623.34247	9.7
627.24036	2.1
658.24750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03937	0.9
55.01861	0.3
55.05507	0.3
57.03426	0.4
61.02895	0.3
67.05495	0.3
68.05013	0.6
69.03420	2.3
69.07053	0.3
70.06570	0.6
70.69218	0.4
71.04971	0.8
72.08133	0.4
73.02892	0.3
78.55104	0.2
79.01836	0.4
79.05475	0.4
80.04992	1.1
81.03404	7.8
81.07041	0.7
83.04970	0.3
84.08143	0.2
85.02885	2.8
85.06503	0.3
86.09648	0.3
91.05460	2.2
93.07034	0.5
94.04173	0.3
95.01311	3.0
95.04946	0.6
95.08590	0.5
97.02872	6.7
99.04435	1.6
103.05450	0.5
105.07026	0.4
107.04929	0.8
107.08572	0.5
108.04461	2.9
109.02866	3.8
109.03604	0.3
109.06461	0.4
109.10098	0.3
110.06035	0.6
111.04438	0.3
114.09138	0.6
115.05457	0.6
117.03379	0.2
117.06967	0.6
119.04906	1.3
119.08549	0.3
121.06488	0.5
122.03624	0.7
123.11705	0.3
124.03935	0.8
125.05970	0.3
126.05501	0.8
127.03893	3.3
128.06224	0.4
129.07007	2.7
130.08609	0.3
131.04907	1.2
131.08562	1.6
133.02847	0.3
133.10130	0.3
135.04475	0.2
135.08009	0.5
135.11693	0.3
136.03912	100.0
137.04373	1.5
137.05948	9.3
140.07053	0.3
141.06964	1.2
143.04878	0.2
143.08479	0.2
144.05716	0.2
145.02837	0.8
145.04930	0.4
145.06470	0.5
146.07091	0.2
147.04324	0.9
147.07977	0.2
147.11659	0.2
149.05957	1.0
151.03937	0.2
151.07521	6.1
154.04959	42.2
155.05301	0.8
157.06465	2.5
158.07217	0.6
159.08014	1.1
160.05183	0.3
161.05940	1.1
161.09602	0.4
163.03909	0.7
163.07506	2.0
165.06972	0.3
167.07005	0.5
167.08534	0.6
169.06436	0.5
170.07260	0.3
171.07999	0.2
173.09683	0.2
174.06721	3.8
175.03899	0.5
175.07483	1.4
175.14812	0.2
177.05472	1.5
177.09059	0.5
178.07693	0.3
181.06383	0.2
181.08588	0.2
186.06708	0.9
187.07513	0.2
189.09073	8.0
190.09428	0.2
191.10648	0.3
193.06517	0.4
193.10181	0.3
194.07253	0.2
195.07961	1.3
196.05998	0.5
201.09061	1.9
203.10619	0.5
207.06534	0.4
207.10135	0.7
211.07507	0.3
211.16812	0.2
212.08282	0.3
212.17220	0.2
215.07028	0.2
219.10115	11.3
221.05919	0.6
221.09587	0.5
223.07529	0.5
224.08238	0.4
225.09128	0.6
227.10619	1.6
231.08112	0.2
234.06718	0.2
237.09000	0.2
238.06758	0.2
240.07906	0.3
249.09108	0.4
253.08627	1.1
253.12257	0.7
255.10091	1.6
256.08139	0.5
262.07108	0.3
265.08658	0.6
267.10172	0.5
268.08047	0.4
269.08047	0.4
269.12125	0.2
280.08109	14.8
281.08478	0.3
281.11572	0.4
284.10361	0.4
285.11081	1.3
285.16782	0.2
287.12729	1.9
297.11130	0.7
298.09164	31.6
299.09540	0.8
313.14297	1.3
314.08786	0.9
325.14282	0.7
331.15353	10.5
332.15707	0.3
341.14078	0.4
343.15320	1.9
371.65826	0.2
496.19696	0.4
628.23938	1.5
640.24176	0.6
658.25659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.9
51.02370	1.0
52.69332	0.7
53.03930	3.4
55.01863	24.6
55.05502	33.7
57.03196	0.7
57.03429	7.5
57.07047	1.9
58.44699	0.6
59.04971	1.9
63.26471	0.7
65.03928	3.8
67.05494	60.0
69.03417	8.5
69.07056	40.2
69.45261	5.4
69.45678	2.1
70.06557	0.8
70.07376	1.1
71.08605	0.8
79.05479	59.0
79.63221	0.7
80.05797	1.2
81.03406	7.9
81.07041	52.5
82.07356	0.9
83.04967	8.2
83.08151	1.3
83.08601	15.1
85.02892	1.1
85.06533	3.5
91.05463	48.2
92.06303	0.8
93.07027	41.7
95.01289	1.5
95.04951	19.8
95.08593	31.4
97.02866	6.5
97.06514	26.4
97.10149	19.6
98.21391	1.6
99.04415	1.0
99.08075	2.3
103.05423	2.4
105.04506	1.1
105.07014	45.6
107.04233	1.2
107.04939	21.3
107.08578	39.9
108.08939	0.6
109.06498	10.9
109.10132	17.6
111.04401	1.9
111.08069	5.4
113.05963	2.3
113.09626	1.2
115.05431	2.7
117.06998	20.5
119.04948	1.5
119.08562	31.3
121.06476	7.0
121.10127	15.8
123.04409	1.7
123.08037	6.3
123.11688	3.8
125.09615	18.2
128.06183	2.7
129.06984	8.6
130.07794	0.9
131.08557	22.7
133.06456	4.7
133.10098	25.5
134.07240	1.5
135.08038	11.5
135.11673	8.8
137.09592	6.7
137.13254	1.4
139.11113	1.0
141.06981	2.9
142.07750	1.2
143.08540	8.4
145.06444	2.3
145.10107	22.3
147.08028	7.9
147.11652	13.8
149.09592	21.0
149.13203	4.6
151.11176	4.1
153.09070	2.5
153.12732	1.4
154.07780	0.7
155.08537	3.5
156.09296	1.1
157.08777	1.2
157.10097	9.8
159.08067	1.6
159.11652	12.7
161.09590	5.5
161.13260	5.8
163.11160	10.3
165.09084	2.6
165.12711	1.7
167.08575	1.3
168.66765	0.7
169.10063	4.1
169.12090	0.8
171.07997	1.2
171.10120	2.2
171.11649	6.3
173.09615	1.9
173.11777	1.1
173.13185	6.5
175.11179	4.4
175.14691	1.9
177.12735	4.1
179.10649	1.2
179.14316	4.6
181.10101	1.9
181.12157	1.0
183.11717	4.0
185.09566	1.1
185.13261	3.6
187.11145	3.3
187.13321	0.8
187.14893	1.2
189.11211	10.1
189.12721	1.4
191.10603	0.8
191.14232	1.1
193.12202	1.8
195.11665	2.5
195.13701	1.3
197.13235	3.1
199.11122	1.0
199.14803	2.0
201.12749	2.0
203.14349	1.3
205.12164	2.8
207.11763	1.0
209.13249	0.8
211.14856	1.3
215.17882	1.6
217.15771	1.9
223.13231	13.3
223.15254	0.9
224.13577	0.8
227.12737	24.8
227.17870	2.6
228.13133	0.9
229.19441	3.1
231.13754	0.8
231.17337	1.0
237.16516	1.4
239.17943	3.5
241.15956	0.8
245.13744	1.5
245.18898	2.0
247.20457	2.7
249.14876	2.8
253.14287	1.6
255.17467	1.9
257.19009	10.5
263.20074	1.4
267.15683	1.0
273.18463	19.8
274.18756	0.9
275.20016	61.6
276.20334	3.1
283.20267	0.9
291.19495	100.0
292.19827	5.0
293.21072	5.2
299.23627	0.7
301.21390	0.8
309.20920	0.9
329.21295	1.6
331.22586	3.0
347.22189	4.4
349.23694	40.2
350.23944	1.8
365.23172	32.6
366.23541	2.2
377.28217	1.1
395.29346	1.8
455.17114	1.2
461.28885	2.9
483.16711	1.3
510.15350	1.3
511.15796	2.0
519.33014	1.0
523.15942	1.4
524.16571	0.9
525.36194	0.9
527.33484	1.1
529.35919	1.4
535.32581	2.6
541.35114	2.1
543.36823	3.4
545.34784	1.0
559.36273	4.0
621.41351	4.9
639.42450	66.6
640.42743	6.5
657.21771	15.8
657.43665	14.7
658.22296	7.9
658.43396	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	657.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.38635	0.7
57.07056	0.9
58.13766	0.6
60.05632	2.9
67.05495	4.0
68.50730	0.6
69.07069	1.2
79.05471	1.7
81.07040	2.9
83.08598	1.3
91.05466	1.1
93.07050	2.1
95.08602	3.0
97.10145	1.4
98.20703	2.5
104.16113	0.7
105.07005	1.7
107.08566	1.5
109.06553	0.8
109.10178	0.9
119.08616	1.0
135.11684	1.4
146.06071	0.9
146.09581	1.2
196.11340	0.8
209.10693	1.5
223.12399	1.0
233.10858	0.9
234.11543	1.3
235.12329	1.8
247.12350	1.2
249.13870	1.8
251.15591	1.0
261.14102	1.0
273.13803	1.3
274.13464	1.2
275.15408	1.4
287.15411	0.9
288.15558	1.4
298.13614	0.7
300.14996	1.0
304.14569	0.7
314.16599	0.9
318.16196	1.4
332.17569	0.8
338.16544	1.3
342.16003	1.0
350.16370	0.9
351.16922	1.0
352.17807	1.4
354.19647	0.9
360.13809	1.0
361.14859	1.3
362.16003	0.9
363.16296	1.9
364.17502	2.4
365.17905	2.6
366.19431	1.1
367.19080	0.8
375.16354	1.5
376.17667	1.6
377.17770	3.1
378.19531	1.4
379.19598	5.1
380.20850	1.0
381.21042	0.9
388.17984	0.9
389.17798	0.8
390.19269	1.2
391.15054	0.8
391.19391	3.0
392.19894	2.5
393.16443	1.1
393.20706	2.8
394.17673	0.8
395.18304	1.6
405.20853	3.3
406.22198	1.7
407.18381	2.6
407.23141	4.0
408.19022	3.8
409.20172	5.7
410.18732	0.9
417.16873	1.8
418.18021	1.0
419.18582	2.1
420.19714	1.7
421.19699	6.6
421.24756	2.1
422.21164	4.1
423.21796	19.8
424.22443	1.5
431.18729	2.0
433.20322	1.9
434.20770	1.8
435.22043	8.2
436.22937	3.7
437.23834	4.5
438.21619	1.1
442.21198	1.1
446.21216	2.0
447.21951	3.1
448.19431	0.9
449.24158	3.9
450.24844	4.0
451.20752	4.8
452.22556	2.0
453.23093	1.2
454.19986	4.6
456.23059	1.8
461.23611	6.1
462.21051	1.6
463.21335	3.2
464.22250	2.9
465.23691	3.5
466.20880	1.4
467.25461	3.4
468.24960	3.4
476.22269	2.9
477.23151	5.5
478.23300	3.3
479.24249	4.6
480.24393	1.0
481.22458	3.4
491.20599	1.6
493.22485	4.6
494.27133	5.6
495.23648	13.2
496.24863	4.4
497.25537	1.4
505.22250	1.2
506.23700	1.2
507.23779	2.1
508.24780	15.0
509.25537	13.7
510.26428	11.0
511.27182	12.5
519.24097	2.1
521.25568	4.2
522.26178	2.9
523.23340	3.2
525.28174	1.3
526.29114	2.6
537.24939	16.6
538.25763	8.4
539.26221	1.6
545.38538	1.9
549.24768	2.0
551.22778	2.3
553.28448	6.2
555.25916	1.7
565.24329	2.3
566.25012	2.1
570.28436	3.3
581.27344	18.8
582.26086	2.2
583.25262	5.7
596.27252	0.8
597.27045	40.7
598.27753	6.2
607.25452	2.3
613.30139	68.6
614.30212	2.3
625.26477	100.0
626.26898	3.9
657.29065	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	657.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17582	0.6
55.05494	2.3
57.03418	0.8
57.07054	2.0
60.05648	3.8
67.05502	3.7
69.07052	2.3
71.08621	0.8
73.31003	0.7
75.54903	0.9
79.05490	1.9
81.07041	3.9
83.08604	2.7
91.05476	1.8
92.50546	0.6
93.07026	2.3
95.05010	1.0
95.08595	2.1
97.10147	1.9
97.94975	0.8
100.41672	0.7
105.07038	1.4
107.08551	1.1
109.06464	0.7
109.10146	3.0
119.08608	1.2
121.10124	1.0
125.09650	1.0
131.08592	0.9
133.10022	0.7
146.09634	0.9
159.11705	0.8
163.11211	0.9
209.10690	1.3
220.58727	0.7
223.12169	0.8
229.14381	2.4
232.09726	0.8
235.12282	1.3
247.12350	1.3
249.13803	1.0
260.12253	0.7
261.13937	1.6
263.15436	1.3
273.13705	1.6
275.15381	1.3
287.15405	0.9
288.16071	0.8
302.16330	1.0
303.13412	0.9
304.14548	0.9
311.25870	2.4
312.26080	1.5
318.16263	1.0
319.17856	0.8
326.16388	0.9
337.15485	1.1
338.16638	1.7
340.18033	1.1
350.16254	1.0
351.16507	1.0
352.18115	2.1
353.18729	0.8
354.15891	0.8
354.19766	1.0
361.15295	0.9
362.16483	1.0
363.16116	1.4
364.17285	1.3
365.17920	2.4
366.19177	1.2
374.16718	1.0
375.16153	1.0
376.17465	1.4
377.17834	2.8
378.19019	1.0
379.15012	1.1
379.19101	2.9
380.20578	1.2
381.20932	1.1
389.17877	1.2
391.19473	3.7
392.20178	2.7
393.17108	2.3
393.21310	1.5
394.17880	1.3
395.18503	2.0
404.16141	1.2
405.20816	2.3
406.21744	2.1
407.18646	2.7
407.22549	2.5
408.19141	3.5
409.20200	5.6
417.17026	1.0
418.18225	1.2
419.18768	2.5
421.19553	4.9
421.24698	1.7
422.21344	3.3
423.21924	15.2
424.22675	1.3
431.18912	2.0
434.21002	1.2
435.22031	7.2
436.22562	3.1
437.23947	4.2
440.23712	0.9
442.21005	1.6
446.13620	1.1
446.20956	2.1
447.21753	2.3
449.24115	4.1
450.24167	2.8
451.20737	4.4
452.22208	2.1
453.22507	1.4
454.19681	3.7
456.22827	1.6
461.23526	6.6
462.20990	1.6
463.21390	3.4
464.21991	2.1
465.23383	4.1
465.35776	1.8
466.24002	2.0
467.25024	4.5
468.25146	2.6
476.22528	1.6
477.22992	6.0
478.24234	3.5
479.25076	5.8
480.21875	1.2
481.22629	2.4
482.23419	1.2
491.20737	2.1
493.22366	5.4
493.26984	2.0
494.27423	5.2
495.23471	13.3
496.24612	4.2
497.25879	1.0
504.23715	1.1
505.38672	1.4
506.23264	0.9
508.24780	15.8
509.25562	10.2
510.26373	9.7
511.27271	12.5
516.24762	1.1
519.23828	1.6
521.25684	4.8
522.25739	2.5
523.23370	3.4
525.28632	2.2
526.28986	1.7
537.24896	16.2
538.25671	9.0
539.25360	1.0
545.38580	2.2
549.24744	1.0
551.22485	2.0
553.28619	7.8
555.26031	1.3
565.24335	2.7
566.24939	1.7
570.28387	3.8
581.27515	18.6
582.25653	1.3
583.25269	5.0
595.29407	1.2
596.27887	1.8
597.27051	42.2
598.27759	6.0
607.24854	1.2
613.30096	73.3
614.30652	1.8
625.26501	100.0
626.26758	2.4
657.29144	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	656.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26680	1.5
53.03919	6.4
55.01861	5.7
55.05498	23.5
57.03428	16.5
57.06784	3.5
57.07066	54.0
65.03929	2.7
65.19328	1.8
67.05494	57.3
69.03419	4.1
69.07058	67.5
69.56007	19.2
71.04978	25.5
71.08624	28.8
73.02908	4.4
79.05482	56.5
81.03399	12.4
81.07043	64.2
83.04979	9.9
83.08609	22.4
85.02877	2.0
85.06521	3.2
85.10162	21.1
89.06019	2.2
91.05464	36.1
93.06581	1.3
93.07027	40.5
95.04958	17.1
95.08591	61.6
97.06512	100.0
97.10151	12.4
99.08063	5.5
105.07026	22.7
107.04929	9.0
107.08565	19.6
109.06487	15.2
109.10139	23.2
110.42271	1.9
110.73829	1.7
111.08044	7.3
113.05956	2.2
115.05447	2.6
115.07549	48.0
116.06213	2.0
117.06997	16.1
119.08567	19.3
121.06494	6.0
121.10136	8.3
123.08039	5.3
123.11692	6.3
125.09612	2.9
129.07004	5.9
131.08533	18.0
133.06497	2.6
133.10126	22.1
135.08037	8.5
135.11644	8.8
141.06989	2.6
143.08524	7.7
145.06409	2.3
145.10107	13.2
147.08017	6.0
147.11696	6.5
149.09621	4.5
149.13239	7.8
151.11150	5.1
155.08600	2.3
155.87012	1.9
157.10126	6.0
159.11668	12.0
161.09598	5.5
161.13251	4.6
171.11664	5.4
174.95682	2.3
175.11200	4.8
177.12741	9.4
185.13226	3.4
187.11125	2.8
195.11847	2.4
195.13809	5.8
199.14783	4.4
213.12714	2.3
217.15833	10.7
219.13692	2.2
221.15410	5.2
227.17944	2.8
233.15300	4.2
239.23607	8.5
245.18999	5.4
251.16377	3.4
253.14334	8.6
255.17400	6.0
257.24713	2.1
269.17502	14.9
273.18463	42.7
291.19501	18.9
297.16986	4.4
307.19116	3.4
313.27304	94.4
314.27737	4.5
341.26819	9.5
347.22128	13.2
365.23151	15.7
383.24335	3.9
383.31421	2.1
493.38971	4.1
507.40384	62.4
508.40799	2.6
533.42090	2.0
535.39819	6.6
544.40387	7.4
545.41498	5.7
560.00525	1.9
561.41602	2.9
585.44983	3.4
603.46204	19.2
621.47205	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	656.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
53.60942	1.3
55.01863	5.3
55.05502	25.8
57.03436	6.6
59.04977	1.4
61.02916	5.7
61.98001	1.0
62.52293	1.0
65.03918	1.3
67.05497	28.7
69.03416	7.5
69.07050	9.5
69.24339	1.0
70.06562	1.2
71.04993	5.5
71.79680	1.2
73.02888	2.4
79.05479	23.5
81.03400	11.5
81.07042	23.3
82.07365	1.2
83.04963	6.1
83.08604	18.4
85.02885	8.6
85.06511	1.9
86.09679	1.9
88.42253	1.1
91.03929	1.9
91.05467	24.0
93.07025	17.8
95.04948	7.2
95.08578	9.3
97.02860	6.9
97.06503	3.5
97.10152	27.6
99.04446	2.4
103.05441	9.5
105.07011	19.3
107.04934	3.5
107.08580	17.4
109.02848	4.8
109.06467	3.3
109.10131	9.2
110.10517	1.1
111.04411	1.3
111.08068	2.8
115.05441	7.3
116.06190	1.2
117.06996	32.8
119.08549	11.2
121.06464	3.1
121.10133	5.5
123.11694	1.3
125.09612	26.8
127.03916	2.4
128.06198	3.2
129.06987	16.4
131.04922	1.6
131.08549	24.1
133.06470	4.1
133.10138	5.7
135.08037	7.2
135.11678	2.0
137.06013	1.3
141.06975	6.9
142.07706	1.4
143.08560	7.0
143.10687	1.6
143.39992	1.1
145.06462	7.1
145.10123	6.7
147.07996	4.1
147.11662	3.5
149.09552	3.4
149.13226	1.2
153.06958	2.1
153.09058	2.6
154.07637	1.7
155.08540	9.4
157.06442	2.3
157.10098	4.6
159.08006	2.1
159.11658	4.6
161.09630	2.2
163.07513	1.2
165.07005	2.1
165.09154	1.3
167.08528	4.0
169.10048	6.4
171.07938	2.6
171.10147	2.4
171.11674	4.3
173.04439	2.0
173.09540	1.4
173.13187	2.3
177.12801	1.3
179.08510	2.1
181.10107	1.9
183.08038	2.1
184.07370	3.0
185.09740	1.3
185.13275	3.1
187.14827	7.1
189.11192	17.2
193.10150	1.7
195.08037	1.6
195.11653	2.6
197.13257	10.3
205.10220	1.5
209.09500	1.7
209.13266	1.4
211.07536	1.2
211.13062	1.6
211.14912	2.1
213.12744	2.5
215.14276	33.3
219.11835	1.1
221.13133	1.7
227.12717	20.2
233.15335	1.6
239.14262	1.8
241.12186	2.3
245.13837	4.3
257.15332	4.0
259.13138	1.7
267.15958	1.6
271.16956	1.3
273.14633	1.3
289.18124	2.3
305.15259	2.4
323.16382	2.7
341.17535	1.7
349.21423	3.4
367.22607	6.2
382.67160	1.2
385.23761	6.4
389.18045	3.5
397.20355	1.2
403.24533	1.5
415.21082	1.2
419.75403	1.4
441.26303	72.0
442.26724	1.4
459.27365	100.0
460.27628	2.0
462.29245	2.0
477.28497	11.6
501.28397	3.4
543.28931	1.7
567.29742	9.8
585.30347	8.6
603.31641	11.9
621.32489	5.0
656.35522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40410	0.7
55.01847	2.4
55.05500	16.9
57.03410	2.8
61.02896	2.5
65.03883	0.8
67.05128	1.2
67.05492	17.9
69.03423	3.4
69.07043	4.8
69.75703	2.2
69.76132	2.9
71.04958	1.7
79.05480	15.2
81.03406	3.2
81.07043	13.6
82.07380	1.1
83.04964	2.6
83.08599	11.2
85.02881	2.4
85.06557	0.9
91.03954	1.0
91.05463	14.2
93.06590	0.7
93.07030	8.9
95.04955	2.7
95.08587	5.7
97.02846	1.6
97.06506	1.5
97.10147	23.6
101.63605	0.7
103.05447	8.7
105.03350	0.9
105.07008	12.4
107.04916	2.1
107.08569	9.9
109.02857	1.0
109.06471	2.1
109.10121	4.7
111.08074	1.9
115.05433	4.2
116.06224	0.9
117.06997	27.0
119.08568	8.5
121.06481	2.7
121.10116	1.9
122.37967	0.6
123.08054	2.0
125.09606	19.8
128.06171	2.5
128.86923	0.9
129.06976	11.3
131.04912	1.8
131.08542	16.9
133.06474	5.1
133.10095	2.9
135.08020	4.4
141.06920	5.1
142.07672	1.0
143.04941	0.8
143.08522	6.9
143.10655	0.7
145.06482	5.1
145.10094	6.1
147.08009	2.0
147.11642	1.2
149.09618	1.8
153.06981	1.5
153.09061	2.0
154.07765	0.7
155.08501	5.7
157.06470	3.1
157.10101	3.2
159.08034	2.6
159.11668	2.8
161.01947	0.7
161.09558	1.5
163.07352	0.7
163.11182	1.2
165.06989	0.8
167.08566	1.6
169.10094	4.1
171.08017	2.3
171.10252	1.2
171.11668	4.3
173.13199	1.7
179.08545	1.0
181.10071	1.4
183.11638	1.9
185.09525	1.4
185.13216	1.5
187.11134	1.3
187.14767	5.9
189.11198	9.7
193.10078	1.0
195.11610	2.0
197.13223	8.1
199.11194	1.5
207.11739	0.9
209.13239	1.3
213.12733	2.3
215.14270	28.6
219.11830	1.0
221.13182	1.6
223.11185	0.9
227.12674	15.5
233.15312	1.7
237.12538	1.2
239.14252	1.1
241.12186	1.5
245.13795	1.1
255.13724	1.1
267.15979	0.7
269.15182	1.0
271.16962	1.5
276.26871	0.7
289.17984	1.2
315.15591	0.9
321.22070	0.9
331.20560	1.3
339.23160	1.7
349.21558	4.6
367.22598	9.7
385.23718	6.6
403.24652	2.7
407.70416	1.1
423.25372	0.7
441.26291	47.4
442.26535	0.9
459.27341	100.0
460.27606	2.5
462.29208	0.8
477.28287	13.0
567.29163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01855	1.2
55.05488	2.3
57.07084	0.5
59.95610	0.4
60.29795	0.4
65.03928	0.5
67.05487	4.4
69.07058	2.7
69.67384	1.2
69.67802	2.7
70.02953	2.5
79.05488	5.4
81.03405	0.8
81.07041	8.4
82.02924	1.6
83.04959	0.8
83.08633	1.0
83.43148	0.4
84.04487	0.7
91.05470	5.9
93.07027	7.9
94.02947	0.9
95.04969	1.8
95.08595	12.8
97.06516	0.8
97.10164	0.8
99.08060	0.5
100.03992	0.5
100.79203	0.4
103.05517	0.7
105.07021	6.4
107.04944	1.5
107.08572	14.9
109.06491	1.1
109.10124	4.9
111.04401	0.4
111.08059	0.4
115.05460	1.7
117.05743	0.6
117.07000	2.3
118.06522	18.1
119.08562	8.1
121.10123	15.0
123.08076	0.5
123.11680	3.7
125.09570	0.4
128.03436	1.2
128.06203	0.7
129.06970	1.2
130.06505	18.3
131.08540	3.9
132.08057	5.1
133.09087	0.7
133.10097	5.3
135.08073	0.6
135.10638	0.7
135.11684	3.2
137.06010	0.5
137.09589	0.7
137.13214	0.7
142.06448	2.3
143.07294	1.8
143.08553	2.3
144.04445	0.5
144.08057	15.3
145.06523	0.8
145.10072	4.0
146.05980	48.4
147.08086	0.7
147.11649	3.4
148.11174	7.8
149.09573	1.1
149.13263	1.6
151.11159	0.7
154.06532	0.5
156.08101	1.7
157.10123	2.1
158.09639	3.2
159.08054	0.7
159.09198	1.9
159.10471	0.7
159.11649	2.7
160.07545	0.7
160.11189	0.6
161.09628	0.7
161.13263	1.7
163.07483	0.6
163.14862	1.2
165.09219	0.6
168.08043	3.1
169.07584	11.2
169.08946	0.7
170.05980	9.1
171.06291	0.4
171.11659	1.6
173.11922	0.7
173.13206	2.8
175.11165	0.5
175.14789	3.7
176.10732	0.9
177.12715	0.6
177.16444	0.6
178.15848	0.6
183.09178	3.0
183.11639	0.9
184.07591	2.6
185.07080	3.5
185.10732	0.7
185.13202	2.3
187.11180	0.5
187.14827	4.0
188.07040	44.0
189.07413	0.7
189.16377	1.6
191.29703	0.5
193.15921	0.5
195.09145	2.2
197.13231	0.6
198.05531	0.5
199.14809	2.2
201.16435	2.5
203.18019	0.8
204.10219	1.7
205.15848	0.5
211.08629	15.7
213.06555	6.5
213.10240	1.9
213.16437	2.0
215.08141	15.1
215.14323	0.6
215.17960	0.9
222.11237	0.7
225.16400	1.2
227.17868	0.8
229.09674	2.8
233.15485	0.7
239.08047	0.6
239.18102	0.8
241.19588	1.0
244.85492	0.5
253.19421	0.5
257.09171	33.7
258.09479	0.9
259.16898	0.6
271.17105	0.7
273.18369	0.9
275.20169	1.3
276.13684	1.4
289.17914	0.6
291.19485	1.0
301.15384	2.5
309.25699	3.2
320.16345	1.8
355.26193	3.1
468.34619	6.8
478.33209	1.1
524.33704	5.6
543.36841	1.0
547.48047	0.6
582.39215	4.8
583.39618	0.6
609.40509	0.6
637.40210	2.1
638.38330	1.8
655.40961	100.0
656.41248	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	655.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
55.01851	8.4
55.05499	31.3
57.03425	15.8
57.07050	2.2
59.05005	2.2
61.02892	2.5
64.45444	1.5
65.03922	4.8
67.05492	52.5
69.03423	20.6
69.07054	17.8
70.19499	1.5
70.81817	1.3
71.01334	2.9
71.04980	18.0
71.79656	2.7
73.02896	4.7
79.05476	42.0
81.02927	3.4
81.03404	68.7
81.07040	59.3
81.07523	2.0
83.04963	32.6
83.08604	22.1
85.02885	14.8
85.06522	4.4
87.04408	2.2
91.05466	49.4
93.07027	42.5
95.04955	21.9
95.08591	28.6
97.02870	13.9
97.06512	9.1
97.10142	18.0
99.04447	6.4
99.08095	2.6
101.02365	2.3
103.05477	2.5
105.07016	39.3
107.04930	9.7
107.08572	31.0
109.02868	7.1
109.06504	10.0
109.10125	20.0
110.92305	1.5
111.04427	7.4
111.08038	10.9
115.05434	3.8
117.06998	20.2
119.04913	3.3
119.08557	30.7
121.06479	12.1
121.10140	17.7
123.04433	1.9
123.08051	9.4
123.08832	1.6
123.11699	4.7
125.09608	15.0
127.03895	8.3
128.06256	1.8
129.05487	14.1
129.06973	18.2
131.04889	2.2
131.08549	31.8
133.06477	6.8
133.10110	20.6
135.08040	10.9
135.11671	7.7
137.05962	1.9
137.09589	4.6
141.06940	6.4
142.07771	3.0
143.08537	16.7
143.10576	1.9
145.06477	10.2
145.10110	16.8
147.04376	4.4
147.08029	9.0
147.11656	12.5
149.09584	8.9
149.13223	7.6
151.07457	1.9
151.11168	2.1
153.09131	2.1
153.12766	1.5
155.08481	8.2
157.06483	4.1
157.10078	15.2
159.07988	6.9
159.11703	7.5
159.81898	1.4
161.05963	4.3
161.09587	6.3
161.13222	3.5
163.11151	5.3
165.12848	1.9
167.08549	4.8
168.09367	1.3
169.10109	7.7
171.08044	3.3
171.11604	8.7
173.04453	23.0
173.05910	2.8
173.09613	4.9
173.11852	1.7
173.13235	5.7
175.11157	8.0
175.14806	3.6
177.12735	4.0
179.08597	1.9
181.10020	7.3
183.08046	2.2
183.11653	6.4
185.09598	4.4
185.13187	4.3
187.11171	2.6
187.14839	2.4
189.11171	7.5
189.12657	3.1
189.16393	2.1
191.10707	2.1
193.10162	2.6
193.12221	9.5
195.11693	3.9
197.09618	2.9
197.13339	3.5
199.11189	2.0
199.14841	6.3
201.12729	5.6
201.16232	2.0
203.10608	2.0
203.14371	1.8
207.11726	2.3
207.13707	2.2
209.13327	2.7
211.13260	4.5
211.14929	3.4
213.12859	1.7
213.16481	1.7
215.14317	3.1
217.15910	8.3
218.16341	1.7
219.13762	2.1
221.13219	3.5
221.15257	1.9
223.14915	3.5
225.14680	2.9
227.12634	11.5
229.12238	1.6
229.16014	2.0
231.13876	1.6
233.15366	1.5
235.14946	1.9
239.14409	3.3
241.15967	1.7
243.13760	2.9
249.14728	1.9
257.15353	3.1
259.17142	1.9
261.18646	1.6
267.15826	12.7
269.17474	5.5
271.13171	1.8
271.16907	3.0
273.14777	1.9
273.18448	1.6
277.16455	2.1
289.14063	1.7
291.19604	2.4
323.23648	4.4
325.18094	1.5
327.10352	1.5
333.21979	3.9
339.23315	1.6
341.24692	5.3
351.23160	13.8
369.24203	18.3
387.25238	14.3
405.26294	5.3
417.26266	3.1
419.27844	1.9
425.26654	3.4
431.27878	2.9
433.29434	6.2
435.27368	9.7
437.28796	6.3
443.27856	45.5
449.28445	2.2
455.29498	2.4
459.27414	2.6
461.28918	100.0
462.29187	4.2
475.30591	13.6
479.29935	5.2
485.28952	2.3
491.30173	2.7
493.31592	51.8
494.31796	2.0
503.29623	3.4
515.30249	2.1
527.30200	2.0
541.31732	2.0
569.30664	3.5
570.01697	1.8
587.31976	5.9
605.33185	10.0
623.34180	8.8
637.35876	10.1
655.36920	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	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86621	0.2
53.03919	0.3
53.22423	0.2
55.01858	0.7
55.05504	1.9
57.03432	0.4
57.07044	0.3
60.21556	0.3
67.05496	3.0
69.03426	0.8
69.07056	1.5
71.04985	0.2
71.79825	0.4
75.04449	0.3
79.05492	2.5
81.03405	1.0
81.07046	3.5
83.04964	0.8
83.08612	0.7
91.05480	2.6
93.07023	2.2
95.04939	1.3
95.08607	1.8
97.02873	0.5
97.06534	0.5
97.10146	0.4
105.07011	2.0
107.04947	0.8
107.08563	1.8
109.06522	0.8
109.10161	1.1
110.23373	0.2
111.08060	0.3
114.34801	0.2
117.07027	1.1
119.08548	1.8
121.06549	0.6
121.10156	1.0
123.04448	0.2
123.11718	0.3
125.09657	0.4
129.06975	0.6
131.04820	0.3
131.08562	1.3
133.06529	0.4
133.10104	1.4
135.08067	0.6
135.11694	0.5
142.07710	0.3
143.08565	0.7
145.06523	0.4
145.10132	0.9
147.08073	0.7
147.11670	0.5
149.09599	0.6
151.11177	0.4
157.10136	0.7
159.08014	0.3
159.11615	0.3
161.09651	0.8
161.13339	0.3
163.11230	0.3
163.14752	0.3
167.08575	0.3
171.11662	0.4
173.09663	0.3
175.11243	0.5
185.13313	0.3
189.11185	0.3
219.71451	0.3
223.13277	0.4
227.12749	0.3
245.19061	0.3
253.14389	0.3
273.18365	2.0
291.19522	3.9
347.22330	0.9
360.17654	0.3
365.23373	0.8
377.17776	0.4
390.17984	0.4
391.19269	1.3
392.19827	0.5
393.20660	0.4
403.19052	0.3
404.20438	0.3
405.16507	1.7
405.21454	0.5
406.21881	0.7
407.18216	0.3
407.22412	3.5
408.23276	0.4
418.17703	0.5
419.18256	2.9
419.23691	0.3
420.19415	1.1
421.20273	0.9
432.19400	0.5
433.20602	4.9
434.21060	3.7
435.21768	7.7
435.27658	0.4
436.22470	0.7
446.21371	0.7
447.17532	1.1
447.21997	2.1
448.18762	1.2
448.23654	0.6
449.19159	2.0
459.22180	0.3
460.22775	0.4
461.19800	1.8
462.20343	4.7
463.21146	4.4
475.21320	1.7
476.22037	1.2
477.22952	1.4
478.23611	0.6
479.20575	0.7
482.19061	0.3
489.22864	1.1
490.23483	0.6
493.21921	0.4
493.26779	0.4
494.22995	0.3
495.23825	1.2
505.22986	0.3
507.24496	0.8
508.25027	1.9
509.25589	2.0
521.25610	11.1
522.26062	0.4
534.22504	0.4
535.25995	0.5
540.27258	0.4
543.37250	0.6
547.26862	0.4
549.24951	15.9
550.25781	0.6
553.24744	0.8
554.21002	2.0
555.21283	0.3
563.26599	2.6
564.27319	0.7
567.26257	0.3
577.24530	0.7
581.27472	2.8
591.26453	0.3
595.29169	10.4
596.29596	0.4
607.28888	0.6
609.17163	0.6
609.26984	11.0
610.27563	0.6
614.23175	0.6
623.28735	1.5
625.31195	0.3
632.24060	0.6
637.41083	1.2
655.31213	100.0
655.40979	5.5
656.31592	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	655.2753
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.48730	0.7
55.05494	3.2
57.07067	2.9
67.05486	4.6
71.79999	1.0
79.05481	2.0
81.03419	1.3
81.07059	3.6
81.89716	0.7
83.04971	8.8
83.08592	1.5
91.05478	2.7
93.07026	3.6
95.04946	1.4
95.08590	1.9
99.28374	0.7
105.07031	2.2
107.08560	1.4
109.10124	0.8
117.06960	1.0
119.08625	1.0
129.06985	1.3
131.08548	1.3
133.10112	1.4
143.08594	1.2
147.08002	0.9
147.11650	1.7
149.09721	0.9
157.07675	0.9
165.64398	0.9
173.13107	0.8
175.01547	3.1
181.02591	8.1
184.07312	0.9
189.57120	0.8
209.10818	1.0
221.10695	1.2
223.12219	1.9
224.13115	1.9
225.13896	1.8
227.04683	2.6
234.11504	0.9
235.12415	1.7
235.15182	0.9
236.13013	2.6
237.13884	4.7
238.14650	4.1
239.15379	1.5
245.44200	0.8
246.11432	1.1
249.13896	1.3
250.14500	1.0
251.15359	4.0
252.16098	0.8
253.17001	3.0
257.05881	1.3
261.13806	6.0
262.14639	2.1
264.12460	1.0
279.14850	2.1
291.19034	1.0
313.11923	5.6
326.16672	1.0
340.18311	0.8
349.14572	0.9
352.17917	1.1
353.17822	1.4
354.19241	1.0
363.16824	0.9
365.18036	1.6
366.19467	1.3
367.19016	2.4
368.20038	1.2
369.17853	1.1
375.15976	1.0
377.17584	3.4
378.18826	1.2
379.19308	1.6
380.16141	1.4
381.20947	1.5
391.19473	1.1
392.15976	1.1
392.20444	1.4
393.21103	1.2
394.17798	1.6
395.18561	2.6
396.19635	0.9
403.19360	1.1
404.16617	1.3
405.16763	2.2
407.18552	3.2
409.20108	1.4
419.18433	1.3
420.19522	1.3
421.20062	2.8
422.20984	2.6
435.18161	2.8
437.19525	2.3
438.20596	2.1
439.21490	1.0
448.18839	2.2
449.19586	5.3
450.20639	2.4
451.21643	1.1
453.22903	2.0
454.24219	1.3
463.21234	2.2
465.18500	6.2
469.26096	2.7
476.18286	3.5
479.24261	3.0
480.21417	1.7
481.22458	1.9
482.22861	2.6
483.20563	2.6
493.22031	1.0
494.23508	0.9
497.25775	6.1
507.24030	4.8
508.20465	4.0
509.22217	1.9
510.23032	2.1
514.25458	5.1
525.24976	8.1
526.24292	1.1
529.28027	6.8
535.23389	2.9
536.24371	1.0
538.22198	1.1
542.24915	2.5
543.19043	3.2
552.23602	1.3
553.25043	4.0
557.27356	3.2
563.22467	2.5
565.27673	2.5
567.26093	5.4
569.26947	1.4
570.24896	1.4
579.26233	1.4
581.23700	2.7
583.28662	1.4
585.27063	17.5
595.25439	91.1
596.25507	6.3
599.25330	9.3
613.26483	100.0
614.26825	6.6
619.40393	1.1
623.24609	2.3
637.40375	0.9
655.28302	15.5
655.42194	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	653.4247
Annotation	Rubianoside IV
Peak:m/z	Relative Intensity
51.53649	0.6
53.03927	1.0
55.01841	0.9
55.05503	4.1
57.03412	2.2
57.07051	1.8
61.02901	1.8
65.03914	1.0
67.05495	6.9
69.03422	5.3
69.07053	7.2
70.06571	1.7
71.04198	1.8
71.04985	11.0
72.74948	0.6
73.02892	0.6
73.06555	0.7
77.00244	0.6
77.03932	0.7
79.05480	5.4
81.03413	3.1
81.07038	18.2
83.04955	2.1
83.08604	3.3
85.02888	12.4
85.06519	2.4
91.03916	0.9
91.05462	8.1
93.07030	14.8
95.04930	2.6
95.08594	17.7
96.08887	0.9
97.02889	3.3
97.06516	2.1
97.10186	3.0
99.04419	1.4
99.08067	3.7
105.07011	16.5
106.07333	1.1
107.04977	0.6
107.08577	24.3
109.02848	1.8
109.06526	2.9
109.10139	19.2
111.08057	2.8
111.11698	0.9
117.06990	2.2
119.08559	17.1
120.08089	4.9
121.06476	1.0
121.08405	1.0
121.10124	22.7
123.08053	3.6
123.11699	10.9
125.09603	9.1
127.03896	2.9
127.07536	1.3
127.11148	4.2
129.06944	1.5
131.08540	6.3
133.08859	5.6
133.10103	18.4
134.05992	2.7
134.06949	0.6
134.09215	2.0
135.06398	0.6
135.08008	5.0
135.11659	12.3
135.72870	0.7
137.09592	5.5
137.13211	1.8
138.09892	1.0
139.11159	2.0
142.07770	0.7
143.08597	2.9
143.10643	13.9
144.09311	0.6
145.04961	1.6
145.10110	11.3
147.04434	3.5
147.08000	1.5
147.10530	1.2
147.11647	12.1
148.11182	100.0
149.09749	5.3
149.11522	33.9
149.13234	8.5
151.11189	2.0
153.12697	1.0
157.10123	5.2
158.10901	0.7
159.11664	11.4
161.09590	2.1
161.13242	13.7
163.03986	0.6
163.07495	0.6
163.11121	1.9
163.14798	3.7
165.12708	1.2
167.10670	1.4
169.10072	1.9
171.11711	4.8
173.13231	8.2
175.11179	2.2
175.14819	5.4
177.12762	1.7
177.16347	4.0
179.14326	1.1
182.10901	0.6
183.11646	1.7
185.13206	3.9
187.14771	5.4
189.16339	9.0
191.10664	0.7
191.14235	1.5
191.17873	2.8
193.12294	0.7
193.15843	0.8
197.13239	1.6
199.14803	4.3
201.16431	4.4
203.11801	0.9
203.14233	2.0
203.17914	4.6
205.15869	3.6
205.19559	0.7
207.17438	2.1
209.15315	0.9
211.14783	1.4
213.16339	3.4
215.14270	1.5
215.17850	3.4
217.15833	4.6
217.19423	1.3
219.13811	0.6
219.17409	1.9
223.17017	0.7
225.16309	1.2
227.17953	2.3
229.15912	1.0
229.19632	0.8
231.17395	4.5
233.15399	3.0
233.18961	1.2
235.17014	1.7
239.17923	1.1
241.19437	1.3
243.17514	0.8
243.20992	0.9
245.18947	1.0
247.18159	5.6
248.18311	4.0
249.18578	1.1
251.17728	0.6
253.19548	1.1
255.21062	1.5
259.20554	1.1
265.13437	0.7
265.19394	0.7
267.15961	1.1
267.21014	0.8
269.19028	0.7
271.20465	1.0
273.22122	0.6
275.17499	9.9
276.17798	6.3
293.22791	0.6
296.71997	0.7
297.21991	0.8
299.23810	1.0
301.21463	0.9
309.25400	0.8
315.23145	1.2
325.28549	0.7
331.26324	1.3
337.25339	0.7
339.26715	1.1
349.29089	0.8
350.18658	1.4
351.18872	2.0
351.27255	0.9
357.27533	1.0
367.29858	1.2
378.17886	4.6
379.18369	6.6
379.29797	3.2
395.33041	1.2
397.30936	5.4
401.30557	1.7
407.32855	1.4
408.33701	0.7
409.34683	1.1
419.33041	5.5
425.33926	3.6
437.34131	14.1
438.25165	0.8
448.33640	0.6
453.33429	1.2
455.28671	1.1
455.35117	22.5
456.35425	0.8
459.27402	1.4
471.34518	4.7
473.36194	83.7
474.36346	3.9
489.35699	8.0
491.37244	7.4
507.36768	2.0
617.40186	2.8
635.41425	37.2
636.42163	0.9
653.33588	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	653.4248
Annotation	Beesioside G
Peak:m/z	Relative Intensity
51.22667	0.2
53.03929	0.6
55.05305	0.2
55.05503	2.1
57.03426	0.5
57.07070	0.9
59.05000	0.3
59.82781	0.2
61.02899	0.4
65.03922	0.4
67.05487	3.6
69.03417	1.2
69.07058	3.9
71.04986	4.1
71.39236	0.2
73.06534	0.2
79.05477	3.0
81.03391	0.7
81.07040	8.4
83.04969	0.6
83.08599	1.8
85.02898	2.0
85.06506	1.0
88.40891	0.2
91.05457	2.9
93.06426	0.3
93.07025	9.0
95.04953	0.9
95.08588	12.6
96.08918	0.3
97.02860	0.8
97.06501	1.2
97.10162	1.0
99.04442	0.3
99.08085	1.1
103.45910	0.2
105.07009	6.1
107.04922	0.2
107.08571	13.0
109.02817	0.4
109.06565	0.9
109.10136	12.5
110.10484	0.2
111.08037	1.2
111.11708	0.3
113.05975	0.2
113.09619	0.2
117.06969	0.9
119.08556	10.2
121.06522	1.0
121.10124	11.3
123.08043	1.6
123.11678	7.9
125.09605	3.2
127.03868	0.4
127.07592	0.5
127.11173	2.2
129.06999	0.3
131.08548	2.3
133.06453	0.4
133.10104	11.3
134.09651	0.6
135.08041	1.5
135.11665	11.1
136.12048	0.4
137.05986	0.4
137.09587	0.9
137.13213	2.0
139.11180	0.8
141.12724	0.9
142.07744	0.4
143.08546	1.8
143.10638	4.0
145.02922	0.2
145.06407	0.3
145.10089	4.6
146.10490	0.2
147.04381	0.4
147.08089	0.5
147.11661	7.2
149.05948	0.3
149.08563	0.2
149.09587	1.1
149.13234	3.7
151.07535	0.3
151.11160	1.1
151.14792	0.2
153.09189	0.2
153.12744	0.6
155.08501	0.5
157.10114	2.4
159.08040	0.5
159.11679	4.5
161.09599	1.0
161.13225	5.7
163.03917	0.4
163.07451	0.3
163.11186	0.7
163.14803	3.0
165.09050	0.3
165.12770	0.6
167.10733	0.3
169.10123	1.2
171.07819	0.3
171.11661	2.3
173.09601	0.5
173.13223	4.0
175.11179	0.8
175.14798	2.5
177.05499	0.4
177.09137	0.3
177.12746	0.3
177.16316	1.8
178.16682	0.2
179.10678	0.6
179.14279	0.8
183.11655	0.7
185.13231	1.9
187.11188	0.4
187.14784	3.5
189.12708	0.6
189.16353	2.8
191.10605	0.3
191.14362	0.6
191.17912	2.1
193.12224	0.5
195.11705	0.3
197.13222	0.8
199.11180	0.3
199.14804	1.7
201.12651	0.3
201.16350	2.4
203.14301	0.4
203.17928	3.0
205.12241	0.5
205.15880	0.5
205.19510	0.2
207.13776	0.4
207.17448	0.3
209.13245	0.5
209.76306	0.2
211.14757	0.8
213.12796	0.3
213.16353	1.4
215.14320	0.7
215.17888	1.1
217.12308	0.2
217.15912	0.6
217.19449	1.4
219.13777	0.4
219.17465	0.3
221.15283	0.3
221.18977	0.3
223.14786	0.6
225.16383	0.5
227.14339	0.4
227.17963	0.7
229.15997	0.5
229.19423	0.5
231.13812	0.4
231.17561	0.3
233.15381	0.8
233.18941	0.4
235.16960	0.6
241.15820	0.2
241.19516	0.8
243.17467	0.4
243.21088	0.2
245.15434	0.5
247.16896	1.1
249.18503	0.2
253.19502	0.5
255.17484	0.3
255.21033	1.1
257.18988	0.3
259.09647	0.3
259.16815	0.3
259.20590	0.5
261.18506	0.3
265.19467	0.3
267.15930	0.4
267.21072	0.4
269.22665	0.6
271.20532	0.3
273.18747	0.3
273.22122	0.8
275.20145	0.5
275.23563	0.2
277.19464	0.2
279.21063	0.3
283.20605	0.2
285.22098	0.6
287.19940	0.3
289.21783	0.3
297.22214	0.5
299.23566	0.4
301.21631	0.5
303.23157	0.5
311.23764	0.2
313.21536	0.3
313.25323	0.3
315.23111	1.2
339.26700	0.4
341.28845	0.3
351.26788	0.3
369.27841	0.4
376.18707	0.2
385.31210	0.3
395.33200	1.1
409.34723	0.9
419.32990	1.3
421.25677	0.5
437.34088	3.9
453.33087	0.3
455.35110	11.8
456.35355	0.4
459.27225	0.3
471.34521	0.4
473.36182	100.0
474.36584	5.3
489.35605	1.4
491.37238	8.9
492.37570	0.3
544.48749	0.2
570.14307	0.2
617.40082	0.6
622.23584	0.2
635.42023	0.4
653.41827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20977	0.2
53.03927	0.3
55.01847	0.2
55.05499	1.9
57.03410	0.3
57.07073	1.1
59.04971	0.3
60.75822	0.2
61.02920	0.5
63.08047	0.2
65.03923	0.3
65.44427	0.2
66.72581	0.2
67.05494	3.4
69.03424	0.9
69.07057	3.8
70.06604	0.3
71.04984	4.4
71.08613	0.2
79.05487	2.9
80.61900	0.2
81.03391	0.6
81.07043	7.9
82.04989	0.2
83.04961	0.5
83.08608	1.9
85.02891	1.5
85.06505	0.9
91.05460	3.1
93.06422	0.2
93.07027	8.7
95.04949	0.9
95.08593	11.2
96.08915	0.2
97.02875	0.6
97.06514	1.2
97.10141	1.5
98.20684	0.7
99.08102	1.0
101.63822	0.2
103.05445	0.2
105.06312	0.4
105.07008	5.9
107.04932	0.4
107.08577	12.4
109.06519	0.9
109.10140	11.4
110.10497	0.3
111.08076	1.3
111.11673	0.3
113.05897	0.2
113.09630	0.3
117.07014	0.9
119.08565	8.9
120.08112	0.2
120.08913	0.2
121.06499	0.9
121.10128	10.9
122.10500	0.2
123.08097	1.1
123.11690	7.5
125.05951	0.3
125.09611	2.9
127.03881	0.4
127.07547	0.5
127.11182	2.2
129.06992	0.5
131.08542	2.6
133.06421	0.3
133.10107	10.3
134.09625	2.8
134.10547	0.4
135.08032	1.2
135.11670	11.1
137.04265	0.2
137.05968	0.4
137.09624	0.8
137.13225	2.0
139.07559	0.2
139.11151	1.0
141.12704	0.9
142.07784	0.3
143.08603	1.1
143.10655	3.3
145.04924	0.2
145.10095	4.3
147.04422	0.5
147.08015	0.6
147.11665	6.8
149.05959	0.2
149.09592	1.1
149.13232	4.0
151.07512	0.3
151.11185	0.8
151.14844	0.2
153.09094	0.4
153.12709	1.0
155.08510	0.5
156.09398	0.2
157.10104	2.1
158.10902	0.2
159.08055	0.3
159.11670	4.9
161.09573	1.3
161.13229	4.7
163.03822	0.4
163.07495	0.3
163.11162	0.7
163.14793	2.7
165.09055	0.4
165.12730	0.4
167.07092	0.3
167.14322	0.3
169.10103	0.7
171.10335	0.3
171.11667	2.4
172.12494	0.3
173.09648	0.4
173.13229	3.9
175.11169	1.1
175.14822	2.7
177.05460	0.3
177.09109	0.3
177.12758	0.6
177.16351	1.4
179.10645	0.6
179.14293	0.9
183.11690	0.9
185.13229	1.8
187.11145	0.5
187.14783	3.6
189.12740	0.6
189.16364	3.2
191.07071	0.2
191.10660	0.5
191.14320	0.6
191.17920	2.3
193.12178	0.4
193.15790	0.2
195.11646	0.3
196.12421	0.2
197.13245	1.1
199.14774	1.5
201.12663	0.3
201.16333	2.2
203.14334	0.5
203.17928	2.6
205.12338	0.2
205.15927	0.3
207.13789	0.5
207.17491	0.2
209.13297	0.3
211.14806	1.0
213.16315	1.4
215.14334	0.5
215.17894	1.2
215.46498	0.2
217.15977	0.4
217.19507	1.1
219.13809	0.5
219.17387	0.5
221.15442	0.3
221.19041	0.3
223.14729	0.4
225.16408	0.5
227.14262	0.2
227.17889	0.9
229.15901	0.6
229.19543	0.5
231.13736	0.4
231.17349	0.3
233.15118	0.4
233.16902	0.2
233.18935	0.4
235.16951	0.5
237.16415	0.3
239.17935	0.3
241.15797	0.3
241.19504	0.6
243.17426	0.5
243.21100	0.4
245.15440	0.3
245.18950	0.2
247.16849	0.9
249.18541	0.4
253.19565	0.4
255.20955	1.1
257.19128	0.3
259.09695	0.2
259.20517	0.5
261.15945	0.4
261.18500	0.3
267.21039	0.4
269.22696	0.4
271.20370	0.3
273.22141	0.6
275.19968	0.2
279.11176	0.2
279.20892	0.2
281.22595	0.3
283.20477	0.3
285.22052	0.5
287.20044	0.4
287.23816	0.3
289.08203	0.2
293.22314	0.2
295.20670	0.3
297.21954	0.5
299.23666	0.5
301.21622	0.7
303.23148	0.3
311.23557	0.2
313.25345	0.3
315.23102	1.3
319.09662	0.4
321.11154	0.4
325.25220	0.3
327.26810	0.3
339.26523	0.3
351.12231	0.7
353.13940	0.3
367.30087	0.3
369.27924	0.3
394.17429	0.4
395.33029	1.1
409.34561	0.8
413.33569	0.3
419.33130	1.1
437.34106	3.7
455.35168	11.8
456.35287	0.6
473.36197	100.0
474.36545	4.4
489.35077	0.4
491.37244	7.5
492.37488	0.3
635.41089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
55.01844	0.7
55.05499	3.9
55.50930	0.5
57.03410	1.5
57.07054	1.9
59.04977	0.7
61.02898	1.8
67.05489	6.8
69.03411	4.9
69.07060	5.7
70.06561	1.7
71.04982	11.0
73.02888	1.1
79.05479	6.2
81.03396	3.5
81.07040	16.3
83.04948	2.3
83.08599	2.8
84.07475	0.5
85.02893	11.5
85.06506	2.2
91.05457	6.7
93.07025	15.0
95.04944	2.3
95.08590	22.2
97.02869	4.4
97.06497	2.0
97.10140	2.7
98.20673	1.4
99.04433	0.8
99.08085	3.2
103.05436	1.1
105.07007	14.1
107.04935	0.9
107.08569	25.9
109.02858	1.7
109.06491	2.3
109.09389	0.9
109.10136	18.0
110.10423	0.5
111.04414	1.0
111.08052	1.9
117.06981	1.8
119.04906	0.9
119.08557	18.9
120.08106	4.7
120.08881	0.9
121.06536	1.4
121.08422	1.3
121.10120	21.2
123.08051	3.9
123.11687	11.2
125.09602	9.3
127.03886	3.0
127.07512	1.5
127.11163	3.2
129.06966	1.6
131.04913	0.7
131.08549	7.0
132.08049	0.6
133.08853	6.3
133.10103	18.3
134.05949	3.0
134.09239	1.5
135.06964	0.8
135.08015	4.7
135.10036	0.8
135.11670	13.6
137.06070	0.6
137.09590	5.9
137.13216	2.2
138.09824	0.6
139.11165	1.0
141.12723	1.0
143.08539	3.6
143.10637	12.1
144.09315	0.8
145.04913	1.7
145.10097	11.6
147.04405	4.0
147.07953	1.3
147.11661	13.8
148.11177	100.0
149.09720	7.5
149.11522	33.9
149.13231	9.0
151.11133	2.0
153.12640	0.6
155.08493	1.0
157.10126	5.0
157.24731	0.7
157.91136	0.6
159.08022	0.8
159.11653	10.3
161.09607	1.9
161.13231	13.1
163.11153	1.7
163.14824	4.5
165.12639	0.7
167.10588	0.6
167.14355	0.9
169.10094	1.4
171.11649	4.0
173.09517	0.8
173.13231	8.2
174.09084	0.7
175.11171	2.1
175.14798	5.8
177.12712	1.1
177.16394	4.1
179.14232	1.3
183.11653	1.7
185.13234	3.8
186.09131	0.6
187.11125	1.3
187.14790	6.2
189.12753	1.6
189.16342	9.0
191.10683	0.6
191.14282	0.8
191.17912	2.4
193.12213	0.6
197.13252	2.5
199.14764	3.9
201.12798	0.9
201.16342	6.0
203.11809	1.4
203.14319	1.5
203.17868	4.6
204.12071	0.6
205.12042	0.6
205.15846	2.3
207.11676	0.5
207.17427	3.4
209.13339	0.7
211.14792	2.0
213.16325	3.1
215.14365	1.1
215.17950	3.2
217.15854	4.1
217.19516	0.9
219.13855	1.2
219.17412	1.9
223.14943	1.0
223.16808	0.7
225.16507	0.8
227.17772	1.3
229.15953	1.2
229.19545	0.7
230.11195	0.9
231.17357	3.7
233.15399	2.8
233.18904	0.8
235.16972	1.0
237.16637	0.7
239.17976	1.1
241.19438	1.0
245.15367	0.7
245.18997	0.8
247.18152	6.1
248.14919	0.6
248.18405	3.2
249.18484	1.2
253.19574	1.3
255.21083	1.7
257.18991	0.8
259.20520	1.1
267.21039	0.6
271.16672	0.7
271.20517	0.6
273.21936	0.9
275.17447	8.5
275.19940	0.7
276.17770	6.3
279.20859	0.6
285.22122	0.9
293.22556	0.8
311.23499	1.0
315.23291	1.3
325.25388	0.6
339.26639	1.0
350.18515	1.1
351.18839	1.4
351.26895	0.9
357.27960	1.0
367.29980	0.7
378.18082	4.9
379.18546	6.5
379.29697	3.4
383.29401	1.8
385.30685	0.7
395.32971	1.3
397.31070	4.4
401.30762	1.2
407.32983	2.5
409.34747	0.7
419.33026	5.1
425.34134	3.7
435.32327	0.6
437.34094	15.1
438.34662	1.1
453.33286	0.7
455.35126	22.1
456.35046	1.1
459.27240	1.0
471.19772	0.6
471.34695	6.5
473.36191	87.0
474.36615	4.0
477.28354	1.0
489.35632	9.5
491.37317	5.3
507.36679	2.7
533.20667	0.8
617.40070	2.4
635.41406	34.0
635.90747	0.6
636.41650	1.6
637.25195	0.6
653.33789	0.8
653.42596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3519
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03944	7.7
55.01862	6.2
55.05501	20.3
57.03428	12.8
61.02891	2.0
65.03918	2.8
67.05494	53.5
69.03416	14.9
69.07058	13.8
71.04986	9.9
73.02909	1.5
77.07763	1.0
79.05009	2.1
79.05480	61.5
81.03409	78.3
81.07046	55.4
81.07530	2.5
82.07345	2.2
83.01304	1.3
83.04970	27.7
83.08609	19.8
85.02885	14.8
85.06519	4.5
87.73157	1.1
91.05466	52.8
92.05779	1.7
93.07029	57.3
93.20571	1.5
94.07401	1.1
95.04957	32.8
95.08588	26.4
97.02859	12.5
97.06514	7.2
97.10161	6.1
99.04434	3.2
99.08109	2.2
105.04492	1.4
105.06321	2.4
105.07017	42.6
107.04936	10.3
107.07903	1.6
107.08582	23.9
108.08842	1.2
109.02875	8.9
109.06501	8.7
109.10137	17.4
110.10470	3.0
111.04440	8.5
111.08088	8.1
112.60829	1.2
113.05983	1.4
115.05490	2.5
117.06998	11.3
119.04893	1.5
119.08568	31.9
121.06467	3.9
121.10136	14.5
123.04424	2.1
123.08018	4.7
123.11687	5.7
125.09592	3.7
127.03909	6.0
127.07567	1.5
128.06155	2.5
129.05412	3.8
129.06993	22.0
131.08568	11.8
133.06453	4.9
133.10103	18.0
134.10413	1.3
135.08031	2.5
135.11707	6.5
137.05943	2.0
137.09589	3.6
138.66180	1.2
141.06931	1.3
142.07751	3.6
143.08546	7.0
145.06432	1.6
145.10118	12.2
147.08031	4.8
147.11662	34.4
148.11166	1.3
149.09651	6.2
149.13188	2.5
151.11142	2.5
155.08638	1.7
157.06458	1.3
157.10092	13.2
159.08047	1.5
159.11653	4.1
161.09561	4.2
161.13237	9.1
163.11163	5.2
165.09055	1.7
165.12766	2.5
169.10175	1.4
171.11690	17.2
173.04399	2.1
173.11765	1.7
173.13216	2.4
174.11960	1.2
175.11183	9.8
181.12253	2.0
185.13287	1.4
187.11099	1.9
189.12683	7.9
193.12202	28.5
203.14468	1.1
207.13771	20.5
211.13252	27.9
211.15132	1.9
212.13553	1.4
225.14778	2.8
227.12645	3.1
229.14275	5.2
230.14653	1.9
230.48672	1.9
247.16832	1.3
249.14940	1.7
267.15891	32.5
281.17450	58.4
285.16934	9.2
287.16507	1.7
301.14264	1.9
355.17371	4.4
381.24011	1.5
397.25726	4.4
398.26218	7.9
411.20148	2.0
423.27609	1.5
424.27487	2.8
429.21112	14.1
455.29541	2.9
455.35263	2.3
456.30463	11.3
469.05490	1.3
473.29004	100.0
473.35971	9.1
474.29129	5.1
489.35391	2.6
491.29977	19.8
491.36853	2.2
553.31372	1.5
617.32556	2.3
635.33844	31.8
653.34717	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	653.1705
Annotation	Quercetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03924	0.9
55.01854	0.5
55.05483	0.7
57.03429	2.5
58.06586	0.2
59.04975	0.3
61.02924	1.4
65.03918	0.2
66.14204	0.1
67.01898	0.2
67.05470	0.7
68.99780	0.2
69.03419	4.3
69.07040	0.5
69.97240	0.8
70.06566	0.4
71.04981	14.2
72.08144	0.2
73.02899	0.8
75.04454	0.7
76.02193	0.7
79.05470	0.6
81.03403	3.1
81.07020	0.9
83.01321	0.4
83.04977	1.1
83.08595	0.3
84.04488	0.4
84.08115	0.2
85.02892	21.0
86.09682	0.2
87.04438	0.5
89.03888	0.3
91.05457	0.8
93.03355	0.2
93.07048	0.9
95.04945	0.4
95.08581	1.1
97.02878	11.5
97.06532	0.2
99.04437	2.0
100.11244	0.9
101.02395	0.2
103.03851	0.2
103.05434	0.2
105.06994	0.7
107.04913	0.3
107.08581	0.9
109.02862	2.6
109.06566	0.4
109.10130	0.9
110.07130	0.3
111.00789	0.6
111.04422	1.0
112.02186	0.2
114.09136	0.2
114.12773	1.1
115.03883	0.2
115.05402	0.2
116.01661	0.2
117.03365	0.7
117.05509	0.2
119.04896	0.4
119.08554	0.7
121.02838	0.7
121.06543	0.2
121.10104	0.6
123.04404	0.4
123.08066	1.0
123.11693	0.5
124.79024	0.2
127.03892	4.7
129.05460	4.2
130.08600	0.3
131.04846	0.2
131.08566	0.3
133.06476	0.3
133.08900	0.2
133.10098	1.0
134.09576	0.2
135.04453	0.3
135.11676	0.5
137.02324	2.0
137.05943	1.6
137.09622	0.3
139.03831	0.4
142.03185	0.3
144.01083	0.2
145.02924	1.2
145.04935	9.3
145.10080	0.3
147.04396	1.7
147.06464	1.2
147.07556	0.2
147.07913	0.2
147.11671	0.6
148.11182	2.6
149.02330	0.4
149.05972	0.4
149.11493	0.5
149.13205	0.3
151.03905	0.5
153.01804	2.6
157.10062	0.3
159.11696	0.5
161.05946	0.7
161.13217	0.4
162.02193	0.5
163.03925	1.8
163.07462	0.3
163.14795	0.2
165.01808	1.2
166.02599	0.2
167.07034	0.4
171.11575	0.2
173.05980	0.5
173.13121	0.2
175.03819	0.3
175.07474	0.4
175.14789	0.2
177.05472	2.5
178.05669	0.2
179.04826	0.6
183.02847	0.5
185.13263	0.3
187.04158	0.2
187.05988	0.9
189.03387	0.3
189.05351	0.2
189.09109	0.2
189.16385	0.4
193.08730	0.2
195.02907	0.4
201.05437	1.3
204.06487	0.3
205.05176	0.3
205.07022	2.5
207.02872	0.2
207.06454	0.3
219.02986	0.4
219.06369	0.4
229.04919	2.9
247.05980	0.5
257.04349	1.7
267.15906	0.2
274.04785	0.4
285.03943	1.0
303.04941	100.0
304.05322	2.7
308.09088	0.5
315.04895	0.2
315.08328	0.2
337.10788	0.6
370.14398	0.2
395.07568	0.3
401.30032	0.4
404.87573	0.2
437.34055	0.3
455.35184	0.5
471.34515	1.1
473.36148	2.9
489.35333	0.4
495.23233	0.3
496.23474	0.2
507.11023	0.9
507.36118	0.2
653.24384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63893	0.5
53.03946	1.2
55.01870	1.2
55.05501	8.3
57.03425	5.9
57.07067	2.3
59.05002	4.3
61.02911	4.8
65.03936	2.1
67.05495	93.3
68.05836	0.6
69.03420	4.2
69.07052	5.6
69.80411	1.2
69.80817	2.3
70.06583	0.8
71.04981	21.7
71.05371	1.3
73.02910	1.6
79.05479	11.3
80.05833	0.5
81.03400	4.8
81.07042	64.4
82.07340	0.6
83.04970	3.3
83.08603	8.7
85.02886	6.6
85.06531	9.5
87.04442	0.7
91.03947	2.7
91.05463	20.2
93.07026	13.9
93.07564	0.9
93.18313	0.7
94.07375	0.6
94.99617	0.5
95.04939	3.7
95.08591	11.6
97.02859	3.6
97.06502	3.1
97.10155	1.7
98.20761	1.1
99.04482	0.7
99.08086	1.3
101.06040	0.6
105.07021	7.7
107.04967	0.7
107.08580	11.1
109.02858	0.8
109.06522	1.8
109.10139	74.7
110.10484	1.2
111.04410	0.7
111.08067	4.6
115.87649	0.5
117.06987	2.9
119.04884	0.5
119.08564	8.5
121.06507	0.9
121.10139	4.5
123.08057	1.2
123.11687	12.4
124.03940	5.7
125.09618	1.3
127.03936	1.5
127.11158	0.8
127.87275	0.5
129.07010	1.6
131.08546	3.3
133.10112	15.0
135.08063	1.1
135.11650	3.8
137.09578	5.4
143.08572	0.8
145.10130	1.4
147.04401	1.1
147.11699	2.2
148.11237	2.0
149.13208	4.2
151.11159	7.0
155.10649	4.0
157.10104	0.8
159.11668	4.1
161.13272	0.9
163.11261	0.6
167.10851	0.5
169.10037	0.6
169.12262	1.9
171.11649	1.2
173.11708	19.4
175.11232	0.9
175.14832	0.6
177.12750	1.6
183.13673	3.3
183.57132	0.5
187.13280	5.8
193.12209	0.8
195.13806	1.6
201.14777	0.9
207.06497	1.5
207.13814	0.7
211.13422	0.7
225.14891	1.5
227.12849	0.8
229.14316	23.2
243.15987	0.7
253.17903	0.7
255.40477	0.5
257.13766	0.7
257.17523	1.6
267.15948	2.7
269.17499	2.9
281.17490	1.3
283.19034	0.8
301.16666	1.0
301.20038	14.3
304.12152	0.6
397.25787	78.6
398.26282	3.2
411.27557	3.9
423.27350	38.7
424.27682	1.4
425.28796	0.9
455.29996	100.0
456.30359	5.5
462.56659	0.5
473.28986	4.5
496.81119	0.5
567.31537	0.6
599.35126	0.6
634.40283	2.2
652.40186	1.9
653.34473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02337	0.1
55.01833	0.1
56.05022	0.2
58.06580	0.1
59.03744	0.1
67.04267	0.1
68.05022	0.5
69.03423	0.1
69.05798	0.7
70.06583	0.9
70.19991	0.4
71.77894	0.1
72.05341	0.1
72.08126	0.2
73.02917	0.1
79.05471	0.2
81.03381	0.2
84.08110	0.2
85.02888	0.3
86.06039	0.1
86.09692	1.5
91.05439	0.8
94.06577	0.1
96.04456	0.1
96.08138	0.1
97.02875	0.2
99.04411	0.2
103.05444	0.3
104.06257	0.1
105.07016	1.8
108.19598	0.1
109.02859	0.2
114.09148	0.3
114.12779	0.1
117.06916	0.1
118.06577	0.2
120.08075	0.2
121.06576	0.1
122.06052	0.4
123.11728	0.1
127.03938	0.3
130.06483	0.1
130.08633	0.1
131.04932	0.1
131.11780	0.1
132.08063	0.6
133.08853	6.1
135.04399	0.1
137.05923	0.2
137.11971	0.1
138.05539	0.1
138.12793	0.4
138.39944	0.1
140.06993	0.1
144.08049	0.1
145.02863	0.1
145.06459	0.4
146.09634	0.2
147.04366	0.3
148.11185	100.0
149.11536	2.5
150.05461	0.7
151.03860	0.1
152.07085	0.1
160.09659	0.1
163.03859	0.2
173.05960	1.5
175.07404	0.1
177.05475	0.2
184.11185	0.1
185.05966	0.3
190.08612	1.6
191.06982	1.1
202.08620	0.7
202.10330	0.1
203.06999	0.3
209.12820	0.2
219.11263	1.1
220.09651	1.2
220.11722	0.1
227.16243	0.1
228.16705	0.1
246.11304	0.1
247.15446	0.2
247.18025	3.6
248.18405	0.1
275.17499	8.0
276.17850	0.4
303.05109	0.1
315.17087	0.3
332.19647	1.0
333.17981	1.5
343.16428	0.1
349.18530	0.1
360.19165	2.0
361.17416	0.7
370.21164	0.2
378.20163	6.8
379.20493	0.3
483.29761	0.2
521.27563	0.2
606.36401	0.6
607.35297	0.1
617.33099	0.4
634.35889	8.1
635.36224	1.1
652.37042	1.6
653.37634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01856	3.2
55.05500	23.9
55.73983	1.0
57.03425	11.3
57.07059	6.8
59.04980	2.9
59.23188	0.9
65.03928	4.0
67.05492	100.0
69.03081	1.9
69.03422	22.5
69.07054	14.3
71.01333	1.1
71.04971	6.6
71.08618	3.4
73.02889	1.0
73.06557	1.3
79.05478	29.7
81.03407	29.0
81.07043	55.0
83.04961	13.0
83.08604	15.2
85.02893	4.7
85.06516	2.7
85.10168	1.6
86.09670	1.3
87.04455	1.6
91.05462	30.6
93.07030	36.8
95.04941	8.4
95.08591	35.8
97.02864	7.7
97.06516	4.4
97.10163	9.7
98.20700	1.9
99.04430	4.3
99.08071	1.9
101.08170	0.8
103.03920	1.4
105.07014	21.9
107.04941	4.1
107.08579	24.3
109.02866	6.7
109.06480	6.2
109.10138	73.3
111.04422	6.6
111.08074	5.7
111.11665	1.5
111.87356	1.1
113.05948	1.4
115.05443	2.0
117.06999	13.7
119.08559	25.7
121.06468	3.2
121.10117	15.4
123.08041	4.7
123.11700	5.5
125.09605	6.8
127.03899	5.6
128.06180	2.2
129.05469	6.7
129.06979	8.7
131.04848	2.0
131.08556	17.2
133.06483	2.8
133.10112	15.8
135.08051	5.4
135.08977	1.0
135.11681	9.6
137.05949	1.5
137.09592	4.4
137.13196	1.3
139.11166	3.0
141.06956	2.5
142.07832	1.4
143.08565	6.7
145.06464	2.8
145.10074	12.5
147.08057	4.0
147.11702	10.0
149.09589	3.4
149.13264	4.0
151.07564	1.2
151.11118	1.7
153.09076	2.0
155.08607	4.7
155.10638	3.2
156.09172	1.0
157.06483	1.5
157.10107	7.7
159.08005	3.6
159.11664	11.2
161.05907	2.0
161.09596	3.3
161.13239	4.5
163.07491	1.2
163.11180	3.0
163.14830	2.8
165.12642	1.1
167.08617	1.7
169.10114	6.2
171.08051	2.8
171.11627	7.6
173.09605	2.2
173.10184	1.4
173.11728	17.4
173.13258	5.8
175.11159	2.8
175.14824	4.3
176.15204	1.3
177.12814	1.3
181.10117	2.2
183.06540	1.2
183.07991	1.3
183.11697	3.3
184.07248	1.1
185.09647	2.6
185.13281	5.4
187.11200	2.0
187.14806	3.6
189.11197	4.9
189.12770	2.7
189.16306	1.1
193.12256	1.3
195.09981	1.1
195.11717	2.9
197.09682	1.2
197.13286	3.0
199.11169	1.3
199.14857	3.5
201.16360	1.3
203.10564	1.0
203.14323	1.4
207.13818	1.6
209.11656	1.4
209.13376	2.1
211.11235	1.1
211.13132	1.2
211.14871	2.0
213.12784	2.2
213.16388	1.6
215.14395	2.2
217.12271	1.2
227.12672	9.0
229.14301	43.6
233.15326	1.4
243.21042	1.2
245.13840	3.3
255.21013	1.3
259.20517	3.3
261.22128	4.9
273.21979	1.6
277.21622	3.4
287.20044	1.7
289.21619	1.6
291.23206	1.3
299.14896	2.1
301.21597	4.7
303.23471	1.7
313.21561	1.3
313.27524	2.0
315.23108	1.5
319.22736	2.3
323.23761	1.5
327.23154	1.9
329.24902	1.2
335.25812	6.3
337.27258	2.4
339.18237	1.3
341.24808	2.3
345.24158	3.0
351.22931	6.6
353.24353	1.6
355.17642	1.5
357.24051	1.3
369.24243	12.5
371.16937	2.0
371.25876	2.1
373.18481	4.6
375.25189	1.3
387.25128	8.7
405.26291	3.4
423.27127	1.7
425.26596	1.2
443.28009	4.9
461.28909	7.4
471.34830	1.1
479.29895	4.3
487.33841	1.2
489.35635	9.3
529.35602	1.8
531.36652	1.6
543.36096	1.2
547.35883	1.6
559.36346	2.6
573.37805	1.9
579.36536	1.8
585.38007	2.1
597.37720	9.4
603.38788	1.6
615.38812	11.5
633.39868	35.3
651.41705	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	652.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97477	0.0
56.05018	0.1
58.06573	0.1
65.03914	0.1
67.05473	0.1
68.05013	0.1
69.05807	0.1
70.06580	1.3
71.04988	0.0
71.07355	0.1
77.03878	0.1
79.05466	0.2
85.02881	0.1
91.05447	0.8
92.06256	0.1
93.07048	0.1
95.04958	0.1
98.21383	0.1
103.05409	0.3
104.06223	0.1
105.07012	2.1
106.07366	0.0
107.08543	0.1
109.10120	0.1
116.06207	0.1
117.06980	0.1
118.06519	0.2
119.08524	0.1
120.08083	4.0
121.08492	0.1
129.06886	0.0
130.06464	0.1
131.04852	0.0
131.07240	0.1
132.08044	0.7
133.08849	7.0
134.05984	2.3
134.09265	0.0
135.06787	0.5
144.08043	0.1
146.09586	0.2
147.10403	0.1
147.11633	0.0
148.11179	100.0
148.37138	0.1
149.11540	1.7
163.03928	0.1
171.10439	0.1
172.11206	0.1
174.09123	1.0
181.08554	0.0
184.11134	0.0
186.09125	0.5
203.11766	1.2
247.18021	7.3
248.18240	0.2
275.17490	10.9
276.17844	0.4
281.12848	0.1
321.15787	0.1
350.18594	1.8
351.18729	0.1
378.18048	7.3
379.18405	0.3
444.87390	0.0
473.36176	0.1
477.24881	0.1
487.15646	0.0
506.35742	0.0
652.34814	1.6
653.34930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03937	5.2
55.01849	4.9
55.05504	25.2
57.03426	11.2
57.07055	3.5
59.04979	3.9
61.02917	1.0
65.03925	3.9
67.05495	100.0
68.05820	1.4
68.98456	0.8
69.03419	24.1
69.07059	15.8
70.84599	3.1
71.04982	7.6
71.08610	2.2
72.08134	1.0
73.02887	2.2
79.05482	29.3
81.03405	43.2
81.07043	57.7
83.04971	16.5
83.08601	14.3
85.02887	5.6
85.06535	3.9
87.04430	1.5
91.05460	29.6
93.07031	33.4
95.01310	1.2
95.04963	10.0
95.07986	2.0
95.08592	35.5
97.02876	15.9
97.06509	4.0
97.10153	12.4
99.04433	5.5
99.08067	2.5
105.07014	21.7
107.04943	3.0
107.08575	23.7
109.02854	7.0
109.06509	5.0
109.10142	66.3
110.10478	1.0
110.66068	0.9
111.04430	6.9
111.08076	6.2
111.11678	1.0
115.05434	1.8
117.07001	12.4
119.08569	20.6
121.06494	3.8
121.10123	16.1
123.04407	1.5
123.08048	3.8
123.11688	6.3
125.09611	11.5
127.03926	7.3
127.07642	1.0
127.11173	1.0
128.06200	2.4
129.05478	7.2
129.06950	7.8
130.07701	1.0
131.04880	1.2
131.08539	18.4
133.06502	3.4
133.10109	13.5
135.08061	5.6
135.11676	10.8
137.09622	5.1
137.13271	1.7
139.07486	1.1
139.11148	2.3
141.06984	3.2
142.07735	1.5
143.08551	8.3
144.09271	1.2
145.06483	3.1
145.10100	12.4
147.08023	3.7
147.11661	10.3
149.09599	3.1
149.13280	5.6
151.07576	1.1
151.11130	1.2
153.09160	1.7
155.08557	5.8
155.10651	3.9
157.06496	1.1
157.10071	7.5
159.08005	2.3
159.11682	12.4
161.09618	3.6
161.13228	4.2
163.11240	1.9
163.14766	1.8
165.06987	1.0
165.12727	1.3
167.08525	1.9
169.08771	0.9
169.10020	4.9
171.08003	1.3
171.10234	1.8
171.11571	5.3
173.09625	2.5
173.11719	18.9
173.13229	8.4
175.11230	2.0
175.14816	2.7
177.09204	1.0
177.12669	2.1
179.08528	1.2
179.10712	1.3
181.10095	2.1
183.11661	2.8
185.09575	1.2
185.13228	6.5
187.11172	2.4
187.14812	2.7
189.11206	9.1
189.12701	1.4
189.16342	0.9
193.10106	1.1
195.11650	2.4
197.13243	2.7
199.11182	2.2
199.14804	2.9
201.12746	2.0
201.16252	1.3
203.14349	1.2
209.13255	1.2
211.11240	1.1
211.13089	1.1
211.14803	1.2
213.12898	2.0
213.16446	1.3
215.14244	2.3
217.15709	0.9
223.14883	1.8
225.12708	1.2
225.16307	1.1
227.12708	13.4
229.14319	41.1
231.13783	1.0
231.20795	0.9
233.15210	1.4
235.16866	1.1
239.14467	1.0
243.21082	1.8
245.13808	3.1
245.22672	1.0
259.20584	3.2
261.22064	5.4
263.23715	2.4
265.19272	1.1
273.21869	1.1
275.20187	1.2
275.24026	1.0
277.21637	2.1
283.20703	1.3
289.21524	1.2
294.87933	1.0
297.13168	0.9
297.21890	1.1
297.91586	0.9
299.14941	3.2
301.21646	5.2
303.23312	1.4
309.21747	1.0
313.21680	1.3
315.23227	1.9
317.24774	2.0
319.22574	2.6
325.21597	1.1
327.23077	2.3
335.25903	11.6
337.27335	6.6
339.74832	0.9
341.24768	2.6
345.24197	1.9
351.23117	6.2
353.24686	1.5
355.17487	1.2
357.24637	1.1
359.25882	1.6
369.24155	9.9
371.16928	5.6
371.25674	2.7
373.18542	6.6
375.25211	1.8
382.62891	1.2
387.25287	7.5
393.26581	1.2
405.26303	3.4
425.26382	1.2
443.27945	2.8
461.28799	5.2
479.29831	3.6
487.34232	1.5
489.35602	8.2
507.36752	2.7
547.35394	1.8
555.36725	2.5
559.36224	1.4
573.37756	1.1
585.37659	1.7
597.37872	8.1
603.38611	1.2
615.38843	11.0
633.39905	31.8
634.39539	1.4
651.40723	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	651.409
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
51.02372	1.2
53.03944	5.8
55.01857	3.9
55.05504	28.2
57.03434	10.8
57.07056	3.8
59.04983	2.2
62.64432	1.2
65.03917	4.3
67.05497	100.0
69.03421	24.0
69.07053	17.6
71.01343	1.6
71.04986	9.6
71.08619	1.2
71.79169	1.7
73.02919	1.2
77.94201	1.1
79.05481	34.3
81.03407	55.6
81.07044	64.3
83.04501	1.5
83.04974	25.6
83.08608	13.1
83.44956	1.0
85.02882	4.2
85.06519	3.3
91.05468	26.4
93.07032	36.2
95.04957	11.3
95.08591	41.6
97.02882	15.5
97.06516	4.6
97.10157	16.4
99.04424	6.0
99.08066	1.5
103.03948	1.8
105.07024	22.3
107.04931	4.3
107.08575	26.3
109.02865	9.7
109.06493	4.6
109.10140	65.6
111.04423	9.8
111.08060	5.4
115.05424	1.7
117.06998	13.4
119.08562	21.9
121.06511	3.7
121.10139	16.3
123.04451	1.5
123.08041	3.1
123.11688	7.8
125.09617	14.8
127.03889	10.9
128.06210	3.1
129.05486	16.2
129.06955	7.5
131.04884	1.4
131.08551	17.5
133.06371	2.9
133.10121	14.1
135.08028	4.6
135.11691	10.1
137.05936	1.2
137.09593	5.5
137.13199	1.9
139.11176	1.8
141.06970	2.6
142.07735	1.7
143.08568	7.6
145.06444	3.1
145.10129	13.4
147.08031	2.1
147.11668	10.8
149.09622	2.7
149.13246	5.3
151.07542	1.7
151.11179	1.9
153.09148	1.8
155.08533	3.0
155.10599	2.3
157.06493	1.9
157.10135	7.4
159.08026	2.2
159.11696	10.4
161.09618	2.7
161.13252	7.2
163.11139	3.7
163.14777	2.9
167.08572	1.5
169.10092	5.0
171.08040	2.1
171.10318	1.4
171.11623	6.2
173.09521	1.5
173.11703	17.8
173.13234	6.8
175.11171	2.6
175.14784	3.3
177.16399	1.3
181.10129	3.1
183.07935	1.6
183.11649	3.3
185.09703	2.4
185.13202	4.1
187.11172	3.2
187.14798	4.5
189.11211	13.4
189.12770	1.8
191.10606	1.3
193.12308	1.2
195.11699	1.5
197.13315	2.3
199.11134	1.3
199.14722	2.7
201.12692	2.6
205.15814	1.1
209.13251	1.2
211.11194	1.2
211.14842	1.4
213.12762	2.2
215.18071	1.5
221.13266	1.5
223.16895	1.2
225.16388	1.5
227.12749	17.1
229.12248	1.4
229.14299	35.6
243.21075	2.5
245.13869	4.4
245.22449	1.4
246.90680	1.0
259.20477	3.0
261.22064	9.0
263.23679	3.1
272.48413	1.0
277.21536	4.0
279.23187	1.7
289.21506	2.7
297.13092	1.8
299.14856	4.3
299.23569	1.1
301.21628	3.2
303.23090	2.1
309.22467	1.6
315.23212	2.0
317.24695	1.7
319.22729	2.1
325.21719	1.5
327.23038	2.0
331.22684	1.7
335.25729	24.5
337.27359	13.9
341.24689	3.1
345.24033	1.9
351.23203	4.6
353.24539	2.6
357.24182	2.2
363.25064	1.8
369.24252	11.3
371.17038	6.6
373.18561	12.7
377.26569	1.3
387.25253	8.4
389.27029	1.9
405.26340	4.3
423.27399	3.1
425.26910	1.4
443.27780	3.1
461.29132	5.5
479.29858	3.3
487.33392	2.1
489.35709	12.5
505.34653	1.8
507.36655	5.2
547.35742	1.7
559.35718	2.0
579.36121	1.7
585.37683	1.5
597.38141	7.5
615.38971	9.1
633.39880	33.4
651.41003	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	651.4099
Annotation	quadranoside IV
Peak:m/z	Relative Intensity
53.03935	2.5
55.01858	2.3
55.05499	8.2
57.03427	4.6
57.07053	3.1
59.04988	1.8
61.02917	19.4
65.03915	1.2
67.05495	13.3
69.03419	11.4
69.07057	9.2
70.06587	1.9
71.01330	1.1
71.04981	18.3
71.46300	1.7
73.02901	7.9
79.05482	9.8
81.03405	6.1
81.07047	20.5
83.04969	37.2
83.08607	4.3
84.08131	1.1
85.02890	32.8
85.06527	2.0
86.09692	1.1
87.04391	0.8
91.03946	12.4
91.05461	13.6
93.07031	22.8
95.04951	7.4
95.08593	36.7
96.08162	0.8
97.02881	16.7
97.06516	4.8
97.10162	3.4
99.04453	3.2
99.08070	1.3
101.02356	1.6
105.07014	18.4
107.04956	2.3
107.08574	26.6
109.02867	3.8
109.06507	8.4
109.09383	1.7
109.10136	24.3
109.10855	1.5
110.10477	0.9
111.04439	1.9
111.08072	3.3
111.11736	0.9
113.05989	1.4
113.09634	3.5
114.09145	2.0
114.12791	1.1
115.03905	1.9
117.03347	1.4
117.06977	5.8
119.04935	2.4
119.08566	24.9
121.02869	1.0
121.06511	3.7
121.10122	23.5
121.10962	1.6
122.06025	1.2
123.08047	20.3
123.08875	1.5
123.11691	11.9
124.07597	2.5
125.09621	4.8
127.03862	8.1
127.11192	1.4
128.06229	1.2
129.05478	2.7
129.07021	2.8
130.08650	2.3
131.08533	10.3
132.08931	1.1
133.06490	1.2
133.10117	20.9
135.08029	4.6
135.11676	21.7
136.07541	4.7
137.05981	3.2
137.09593	100.0
137.13181	6.7
139.07501	2.1
139.11130	1.7
141.06976	0.9
141.09087	8.1
142.07799	1.2
143.08540	7.0
143.10674	1.8
145.02823	2.8
145.04945	2.9
145.06477	1.9
145.10094	13.5
146.06000	2.2
147.04367	4.9
147.08044	2.8
147.11674	13.0
148.11168	2.4
149.05989	1.5
149.09616	3.6
149.13234	8.4
151.03928	1.2
151.07561	0.9
151.11160	2.3
153.09158	1.3
153.12712	1.4
155.08559	2.4
156.09312	1.8
157.10080	6.6
159.08081	3.2
159.10242	3.2
159.11690	12.7
160.12486	0.9
161.05942	1.3
161.09621	4.2
161.13249	8.3
163.03871	7.2
163.07494	1.5
163.11192	2.7
163.14810	5.8
164.04147	0.9
164.07057	8.8
165.09093	1.9
165.12740	1.1
166.08617	2.6
167.07059	1.6
167.08606	0.9
169.10086	4.1
171.11664	8.2
172.03841	1.0
173.09642	2.6
173.13234	10.1
174.13583	1.1
175.03961	1.3
175.07503	1.4
175.11194	2.5
175.14790	5.9
177.05484	5.5
177.09100	2.4
177.12755	2.2
177.16405	2.6
179.10680	2.6
181.10135	1.7
183.10248	0.9
183.11659	4.1
185.09630	2.0
185.13219	7.2
187.11212	2.9
187.14778	7.4
188.07079	1.0
189.12730	3.2
189.16373	6.6
191.10812	1.8
191.14244	4.3
191.17937	3.6
192.14662	1.8
193.12250	1.9
195.11726	2.0
197.13313	3.2
199.11119	1.4
199.14807	4.4
201.12781	1.8
201.16364	6.7
203.10701	1.0
203.14343	3.2
203.17979	5.0
204.06534	1.6
207.06497	2.8
207.17468	1.2
209.13385	1.8
209.15356	2.8
210.11526	1.4
210.15819	1.4
211.14822	3.6
213.12833	1.9
213.16396	3.7
215.14537	1.8
215.17952	1.8
217.12320	1.3
217.15868	1.3
217.19490	1.3
219.13828	1.5
221.15311	0.9
223.14833	1.6
225.12540	1.2
225.16393	2.6
227.14314	2.5
227.17924	1.3
229.12149	1.2
229.15869	2.3
229.19395	1.5
231.13812	1.6
231.17424	1.0
233.15352	1.4
235.12488	0.9
237.10278	2.3
237.16551	1.1
238.10878	0.9
239.11818	1.1
239.14452	0.8
239.17886	1.7
241.15874	1.5
241.19458	1.0
243.13817	1.9
243.17368	1.6
243.21130	1.1
245.15396	2.4
247.13206	1.2
248.09482	2.0
249.10161	1.9
249.14755	0.8
250.11021	2.9
251.11789	3.6
251.17920	1.6
253.19421	2.1
255.11320	1.1
255.17543	1.2
255.21045	2.5
257.19202	1.1
259.09671	1.0
259.20590	1.0
263.11752	13.3
264.12515	2.3
265.09775	5.0
265.13345	10.5
265.15875	1.3
265.19583	1.0
267.11267	1.8
267.17270	1.1
267.21057	0.9
269.12772	1.4
269.19037	1.4
271.20505	0.9
277.09979	1.2
278.10324	1.3
279.11334	9.9
279.20819	1.6
280.11798	1.3
281.22653	1.2
282.13385	0.9
283.24356	1.3
291.11169	3.6
291.20837	1.0
293.12903	2.8
293.22729	2.9
294.09970	1.0
294.13385	0.9
295.10596	1.4
295.24100	1.3
297.12292	7.4
301.21515	1.1
309.12296	32.1
309.22092	1.4
310.12961	8.2
311.13651	4.9
311.23615	3.2
313.21692	2.4
313.24927	1.6
315.23193	1.5
319.10800	1.9
321.11215	1.0
327.23077	1.4
329.24557	1.9
337.11774	22.8
338.12561	10.4
339.13254	2.8
339.23306	2.1
339.26840	1.3
349.25269	0.9
355.22217	1.0
357.24219	11.6
365.28522	3.2
367.26291	2.1
369.14392	35.8
370.15079	11.0
371.15860	2.3
375.25677	1.0
383.29395	12.0
393.31610	2.0
395.29330	1.0
401.30566	1.6
411.32578	1.8
417.31552	2.2
423.32657	1.4
425.34195	0.9
435.32532	13.4
436.22308	2.8
436.32797	1.1
441.33643	1.0
451.31906	2.2
453.33615	29.3
455.35114	1.1
459.27371	1.2
462.20163	4.1
469.33188	5.6
471.34628	22.6
487.34024	4.6
489.35709	35.0
494.22818	79.8
495.23190	9.7
505.35172	6.9
561.34094	1.2
563.36237	1.1
583.25464	2.3
615.28687	1.6
615.38867	5.6
619.27441	2.4
633.39886	40.2
634.40448	1.0
651.30389	2.2
651.40863	61.2
652.41046	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	651.4093
Annotation	CHEBI:69365
Peak:m/z	Relative Intensity
50.01576	1.5
52.27645	1.6
53.03944	2.1
55.01860	2.4
55.05500	21.4
57.03424	6.2
57.07058	5.7
57.37680	1.4
57.97532	1.4
59.04992	3.2
61.02915	44.5
65.03934	1.7
67.05132	2.2
67.05493	44.2
69.03418	14.2
69.07059	39.5
70.06584	1.6
71.04981	6.1
73.02902	13.2
79.05471	25.1
81.03423	7.9
81.07041	67.9
83.04971	13.2
83.08588	10.6
85.02888	42.5
85.06540	3.7
91.03941	22.7
91.05465	28.4
93.07030	50.4
95.04948	8.4
95.08586	65.6
97.02877	26.9
97.06519	7.1
97.10143	14.1
99.04462	2.9
99.08067	11.3
101.02398	2.2
103.05466	2.7
105.07014	56.7
107.04916	2.0
107.08569	76.7
109.02863	4.1
109.06490	14.5
109.10135	100.0
111.04418	1.7
111.08064	14.2
111.11686	1.5
113.09585	1.8
115.03875	1.5
117.07003	9.4
119.08566	56.6
121.06467	8.6
121.10123	50.0
123.08044	9.0
123.11686	34.7
125.09604	26.5
127.03899	9.3
127.11176	2.4
128.06273	2.0
129.06979	6.5
130.07768	1.8
131.08548	31.7
133.06451	3.0
133.10106	50.0
135.08025	6.1
135.11659	30.0
137.09584	23.4
137.13216	4.6
139.07590	1.8
139.11157	4.1
141.06975	2.6
141.09097	3.5
142.07715	4.0
143.08557	15.3
143.10664	8.1
144.09320	2.6
145.04944	6.2
145.06461	3.6
145.10089	49.2
147.08052	5.8
147.11649	33.7
148.11166	9.6
149.09586	20.2
149.13225	22.4
151.07535	3.3
151.11134	6.0
151.14810	2.0
153.09111	2.4
155.08488	7.9
156.09315	2.9
157.10086	23.9
158.10916	2.4
159.08025	3.3
159.11668	41.5
161.09586	4.0
161.13223	28.2
163.07558	4.5
163.11189	7.7
163.14746	8.1
165.09096	2.0
167.08492	2.5
167.10667	4.4
169.10098	9.5
170.10835	1.6
171.08028	2.0
171.11661	20.4
173.09589	3.8
173.13231	29.4
175.11182	5.7
175.14764	16.4
177.09077	3.0
177.12755	6.5
177.16357	7.1
179.10664	3.8
181.10155	3.7
181.12277	2.1
183.11592	9.3
185.09679	2.0
185.13220	16.7
187.11168	5.8
187.14781	21.7
189.09050	2.9
189.12711	4.2
189.16348	10.3
191.10689	2.5
191.14293	4.3
191.17909	6.0
193.10143	1.8
193.12177	3.7
195.11723	4.3
195.13744	2.7
196.12404	1.7
197.13191	10.2
199.14789	18.5
201.12720	4.6
201.16359	21.6
203.14214	3.4
203.17963	4.9
205.12340	2.1
205.15810	8.3
207.17403	2.6
209.13243	5.4
211.14809	8.1
213.12714	3.3
213.16316	10.6
215.14325	5.1
215.17917	4.3
216.96646	1.6
217.12216	2.8
217.15845	2.2
217.19534	1.9
219.17517	2.4
220.12431	1.5
221.13245	1.7
223.14784	5.8
225.16354	6.2
227.14311	2.4
227.17889	6.4
229.14066	2.7
229.16011	3.6
229.19577	2.8
231.13797	2.9
231.17487	1.7
231.20810	1.6
233.15446	3.2
235.14780	3.4
237.16380	5.3
239.14235	1.8
239.17897	5.2
241.15831	2.1
241.19431	11.3
243.13705	1.9
243.17346	2.1
243.21062	1.6
245.15338	4.3
247.16930	8.4
251.17967	4.6
253.19505	9.3
253.37117	1.5
255.17435	3.5
257.15274	2.3
257.19037	3.5
259.16873	1.9
259.20517	12.8
265.19592	2.6
267.17676	1.5
267.20969	4.2
268.16257	2.3
269.18924	3.8
271.16980	3.8
271.20337	2.3
273.18433	4.2
279.21017	3.0
281.19269	1.9
281.22586	5.5
283.20486	2.9
285.18887	1.8
285.21866	1.8
287.20212	1.9
291.21072	2.5
293.22800	4.1
295.20502	3.3
295.23804	1.6
297.22144	4.7
299.20200	3.0
299.23639	5.8
301.21625	4.9
307.24292	1.7
309.22089	4.9
311.23599	10.9
313.21597	5.3
313.25125	3.1
315.19714	1.9
315.23126	3.8
319.24051	1.8
323.23532	2.5
325.21683	2.3
325.25192	2.8
327.23062	6.8
329.24649	9.4
335.23404	1.8
335.27332	2.7
337.25461	2.7
339.26797	1.9
353.24750	4.0
355.22549	2.1
355.26410	2.7
357.24484	2.2
367.26358	9.7
371.25677	1.9
375.30331	1.8
377.28400	3.6
379.26321	2.8
383.29263	2.2
385.27310	6.0
389.31747	1.8
393.31592	4.6
395.29205	12.0
399.30142	1.8
405.31561	10.6
407.28088	2.7
407.32959	17.6
411.32379	3.8
413.30005	2.1
417.31467	7.7
422.25998	2.5
423.32535	29.6
425.34134	20.6
435.32510	36.0
441.33502	21.5
453.33545	57.8
467.58099	1.7
471.34647	41.1
489.35727	26.5
561.34229	1.9
615.38599	6.5
633.39850	49.7
634.39484	2.7
651.40912	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	651.4092
Annotation	CHEBI:69365
Peak:m/z	Relative Intensity
53.03930	6.1
55.01856	5.3
55.05500	24.5
57.03432	9.1
57.07053	5.7
59.04981	3.9
61.02916	40.2
61.27443	1.6
64.70290	1.6
65.03925	4.0
67.05493	46.3
69.03418	27.3
69.06678	2.4
69.07056	43.7
71.01326	2.2
71.04973	15.4
73.02912	14.1
77.03916	1.7
78.04662	1.5
79.05477	26.5
81.03409	12.9
81.07042	80.3
83.04964	23.8
83.08610	10.6
85.02892	72.8
85.06519	3.4
87.04476	2.1
91.03934	21.0
91.05462	39.5
93.07030	60.5
95.04948	12.2
95.08590	80.5
97.02874	31.2
97.06510	10.6
97.10145	13.8
98.20636	3.9
99.04412	5.6
99.08073	16.2
101.02346	2.3
103.05408	1.8
105.07013	61.8
107.04945	4.3
107.08575	87.5
108.08974	1.6
109.02857	4.6
109.06491	13.2
109.10140	100.0
110.10481	1.9
111.04415	3.4
111.08067	21.0
111.11661	1.8
113.06042	2.5
113.09641	3.7
115.03941	1.8
115.05437	3.3
117.06998	16.6
119.04950	11.1
119.07707	3.3
119.08563	68.6
120.08834	1.7
121.06505	13.8
121.09238	3.1
121.10123	58.4
123.08065	17.5
123.11684	40.3
125.05963	2.4
125.09602	32.4
127.03922	11.0
127.11148	2.0
128.06154	3.6
129.05499	2.6
129.06985	7.7
130.07738	2.0
131.08553	31.3
131.09540	2.0
133.06471	4.8
133.10098	56.3
135.08011	9.2
135.10611	2.5
135.11658	37.8
137.05916	2.6
137.09590	67.1
137.13200	6.1
139.07472	3.1
139.11163	5.1
141.06917	1.9
141.09102	5.1
142.07730	4.4
143.08533	19.2
143.10658	8.7
144.09361	2.8
145.04965	7.6
145.06404	3.9
145.08945	2.4
145.10098	50.8
147.04388	42.3
147.08041	8.0
147.10542	3.2
147.11659	46.4
148.11179	5.0
149.09586	18.5
149.13231	26.2
151.07576	3.1
151.11134	5.4
151.14777	1.8
153.09096	2.1
153.12737	2.2
155.08531	8.2
156.09326	3.3
157.10097	29.1
158.10854	1.6
159.08009	5.6
159.11668	44.8
161.09605	8.6
161.13235	35.4
163.03931	1.6
163.07513	3.8
163.11166	10.3
163.14787	11.5
165.09055	4.9
165.12744	4.4
167.10612	4.5
168.09380	2.1
169.10104	12.9
171.11678	25.7
173.09619	4.8
173.11734	1.4
173.13196	25.6
173.14577	2.6
175.11168	5.2
175.14775	19.1
177.09097	4.0
177.12688	5.8
177.16341	8.4
179.10631	4.0
179.14278	2.8
181.10094	4.9
181.12155	2.5
182.10857	1.8
183.11674	11.1
185.09604	1.9
185.13235	21.3
187.11180	5.4
187.14780	26.8
189.09096	2.5
189.12729	4.9
189.16356	18.1
191.10686	4.0
191.14244	2.8
191.17921	6.6
193.15894	2.2
195.11687	6.7
197.13217	12.9
199.11096	3.0
199.14810	22.6
201.12672	5.0
201.16356	25.6
203.10638	1.8
203.14256	6.1
203.17918	6.0
205.12271	2.5
205.15913	8.8
207.11699	3.2
207.13721	2.5
207.17439	4.2
209.13203	3.5
211.14799	12.0
213.12717	3.5
213.16325	14.7
215.10710	2.0
215.14284	6.2
215.17941	5.7
217.12180	2.8
217.15907	5.3
217.19510	3.6
219.13686	3.1
219.17267	1.9
221.13205	2.1
221.15189	2.2
223.14801	6.3
225.16394	8.8
227.17934	7.8
229.12210	1.8
229.16010	3.6
229.19470	4.2
231.13776	4.2
231.17354	2.6
233.15265	3.7
235.16908	2.1
237.16399	7.7
239.17931	6.7
241.19539	13.7
243.17436	3.2
245.15268	4.3
247.16905	7.7
251.17886	5.2
253.16005	2.1
253.19467	6.5
255.17371	3.6
255.21112	3.5
257.15271	2.8
259.16763	2.5
259.20529	17.6
261.21942	1.5
263.17624	1.7
267.21082	4.5
269.18872	3.1
269.22623	2.6
271.17026	2.6
271.20462	2.8
273.18427	6.4
279.21085	4.7
281.22516	7.0
283.20508	3.8
283.24170	2.3
285.22058	2.3
293.22498	4.6
295.20401	4.5
295.24078	3.8
297.22070	4.7
299.20407	2.2
299.23477	7.6
301.21506	2.2
309.21988	3.9
309.25507	2.2
311.23624	12.8
313.21536	6.7
313.25183	3.6
315.23056	2.9
323.23981	1.8
325.25153	2.9
327.23108	5.3
329.24655	5.5
335.27310	2.1
337.25522	2.0
339.26749	2.5
349.25055	1.8
351.26855	1.9
353.24597	4.4
355.22263	1.9
355.26227	3.0
357.24142	8.2
357.28024	2.4
367.26245	7.3
377.28186	3.7
379.26349	2.1
381.27557	2.3
383.29404	5.8
385.27274	5.2
389.32117	2.4
393.31696	3.8
395.29300	10.5
403.28296	2.0
405.31403	8.6
407.28088	2.7
407.32977	16.1
411.32529	3.8
415.28583	2.6
417.31552	8.9
421.30704	2.2
423.32449	25.4
425.34085	19.5
435.32498	33.6
441.33636	18.9
451.32047	3.6
453.33588	59.1
454.28360	1.9
454.34143	2.3
469.33261	5.9
471.34637	47.1
487.34027	9.1
489.35657	29.1
505.34839	5.4
561.33960	1.7
597.37909	2.0
615.39124	9.0
633.39923	71.7
651.41083	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4092
Annotation	CHEBI:69365
Peak:m/z	Relative Intensity
53.03920	2.8
55.01865	2.0
55.05498	18.7
56.65941	1.2
57.03416	5.0
57.07057	5.0
59.04975	1.8
61.02917	40.2
65.03940	2.2
67.05491	36.4
67.55163	1.1
69.03409	14.3
69.07058	39.5
71.04993	5.9
71.08594	1.9
73.02898	12.8
77.03911	1.5
78.59129	1.3
79.05479	24.0
81.03409	7.4
81.07041	65.2
81.63570	1.3
83.04972	7.8
83.08604	11.5
85.02889	45.2
85.06516	2.9
91.03425	1.7
91.03947	26.0
91.05464	28.7
93.06432	1.7
93.07024	51.6
95.04960	8.6
95.08589	65.3
97.02881	26.1
97.06515	8.3
97.10149	18.9
99.04417	3.4
99.08080	17.8
101.02376	2.8
103.05492	1.2
105.07012	59.8
107.04913	2.8
107.08574	84.9
109.02857	3.4
109.06511	10.6
109.10136	100.0
111.04423	2.0
111.08058	20.4
111.11725	1.7
113.09564	1.7
114.00888	1.3
115.03903	2.1
117.06995	11.1
119.04849	1.2
119.08560	60.2
121.06474	10.8
121.10125	50.1
123.08057	7.5
123.11686	37.3
125.09611	35.8
127.03878	8.8
127.11140	3.4
128.06212	3.2
129.06961	7.3
130.07700	1.9
131.08543	32.5
133.06482	3.4
133.10103	48.3
135.08006	5.6
135.11670	27.2
137.05887	1.6
137.09587	16.4
137.13243	5.0
139.07533	2.3
139.11142	6.5
141.06966	3.0
142.07878	2.4
143.08553	18.1
143.10619	8.1
144.09319	1.4
145.04941	5.3
145.06415	2.9
145.08945	2.7
145.10098	48.5
146.94473	1.2
147.08037	5.7
147.11659	36.0
148.11159	2.8
149.09596	21.4
149.13223	22.4
151.07440	2.0
151.11151	6.3
153.12662	1.7
155.08575	6.6
156.09293	2.9
157.10088	26.3
158.10855	2.1
159.08058	4.2
159.11667	41.6
160.12379	1.5
161.09576	6.3
161.13228	33.2
163.03886	1.5
163.06091	1.5
163.07507	4.6
163.11195	8.2
163.13727	1.1
163.14803	9.1
165.09058	3.4
165.12755	2.5
167.08496	1.7
167.10646	4.5
169.10110	9.3
170.10896	1.5
171.10193	1.3
171.11662	23.7
173.09584	5.2
173.13208	26.8
175.07454	1.2
175.11093	5.1
175.14819	17.2
177.09076	3.9
177.12688	6.4
177.16362	7.4
179.10643	3.6
179.14140	1.4
181.10104	4.3
182.10927	1.3
183.11639	13.7
185.09578	2.5
185.13226	21.8
186.13780	1.4
187.11163	5.4
187.14792	23.5
189.12679	3.9
189.16364	12.7
191.10660	5.0
191.14302	3.1
191.17856	4.0
195.11629	4.6
195.13664	2.0
197.13214	11.9
199.11211	1.5
199.14758	17.3
201.09029	1.2
201.12703	5.0
201.16342	26.5
203.10628	2.9
203.14278	4.9
203.17830	7.0
205.15871	6.0
207.11722	2.5
207.13774	2.5
207.17393	3.6
209.13245	6.7
210.13885	1.7
211.14786	8.5
213.12730	4.2
213.16348	10.2
215.14333	4.2
215.17960	5.9
217.12193	1.7
217.15845	4.4
217.19286	1.5
219.13809	2.8
219.17352	3.3
221.13275	2.2
221.15225	1.9
223.14754	2.9
225.12737	2.1
225.16304	7.3
227.14285	4.8
227.17899	6.2
229.12178	1.2
229.15865	4.8
229.19379	1.8
231.13712	3.7
231.17395	3.4
233.15331	3.7
235.14743	2.0
235.16835	1.3
237.16347	4.4
239.14204	1.9
239.17911	6.7
241.19458	15.1
243.17421	2.4
243.21086	2.6
245.15363	4.4
247.16882	9.6
249.16452	1.7
251.17917	4.9
253.15651	1.7
253.19431	8.5
255.17398	3.3
255.21034	2.9
257.18961	2.4
259.16779	2.1
259.20499	16.6
263.17990	1.2
265.19455	3.4
267.21075	3.4
269.19016	2.0
271.16913	1.9
271.20520	4.7
273.18478	5.1
277.19336	1.7
279.21082	3.9
281.22571	9.3
283.20584	2.9
283.24136	2.9
285.18518	2.3
285.22162	1.5
291.21002	3.2
293.22510	4.4
295.20453	4.1
295.23923	1.6
297.18723	1.8
297.22086	5.1
299.20499	1.8
299.23547	8.5
301.21658	3.5
307.23969	1.8
309.22055	4.1
311.20197	2.1
311.23587	15.4
313.21530	3.6
315.19791	1.4
315.23178	3.9
319.24020	1.3
321.25568	2.6
325.21625	2.1
325.25153	4.2
327.23114	8.4
327.26465	2.2
329.24637	8.5
337.25009	3.2
339.22964	1.6
339.26794	3.1
341.24850	2.3
349.25021	2.9
353.24609	3.9
355.22424	1.6
355.26273	5.0
359.27234	1.4
362.50076	1.3
365.24625	1.5
365.28586	2.1
367.26212	10.2
367.30081	2.4
371.25922	2.0
377.28207	5.1
379.26163	1.8
383.29120	1.7
385.27344	6.3
389.26865	1.6
389.31757	1.9
393.31476	3.4
395.29398	8.9
397.27295	2.7
403.28464	2.9
405.31403	8.3
407.28152	2.2
407.33072	17.3
411.32336	2.3
415.28122	1.8
417.31409	8.3
423.32541	30.7
424.33148	2.0
425.34082	25.1
435.26474	1.7
435.32501	33.5
441.06146	1.2
441.33578	28.0
453.33591	62.7
454.33942	2.9
469.33499	1.2
471.34622	46.4
472.35117	1.7
487.33936	1.6
489.35718	30.6
504.87418	1.3
578.76392	1.3
615.38892	6.6
633.39844	64.2
634.40747	2.5
651.40912	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	651.4088
Annotation	CHEBI:69365
Peak:m/z	Relative Intensity
53.03917	2.4
55.01847	1.6
55.05497	5.6
56.46863	0.7
57.03414	2.8
57.07051	2.0
59.04966	2.6
61.02914	6.4
65.03931	0.8
67.05180	0.8
67.05490	9.3
69.03413	15.5
69.07047	6.8
71.04984	6.9
71.18751	1.6
73.02914	3.2
77.30576	0.7
79.05109	0.7
79.05472	5.9
81.03400	6.0
81.06605	0.9
81.07043	14.4
83.04965	36.5
83.08588	3.1
85.02887	29.5
85.06524	1.4
87.04441	2.7
91.03952	3.3
91.05450	8.7
93.07020	17.4
95.04957	4.3
95.08594	27.0
97.02869	12.9
97.06503	4.5
97.10149	2.0
99.04420	2.2
99.08031	1.6
105.07001	13.1
107.04908	1.2
107.08565	23.2
107.53527	0.6
108.24535	0.7
109.02845	3.5
109.06485	3.0
109.10140	17.6
111.08072	1.8
113.05981	1.2
113.09615	4.2
117.07004	3.4
119.08562	17.1
121.06471	2.5
121.10121	20.5
122.07208	1.5
123.08038	18.6
123.11669	8.8
125.09635	4.6
127.03876	7.8
127.11182	1.6
128.06133	0.9
129.06935	1.9
131.08569	5.5
133.10101	15.1
135.08003	3.3
135.11656	18.4
137.09587	100.0
137.13176	4.7
138.09869	0.6
139.11154	1.9
141.09061	7.8
142.07738	0.9
143.08577	4.2
144.09357	1.1
145.04953	5.2
145.06441	1.6
145.10098	9.7
147.08015	2.2
147.11653	9.5
148.01151	0.8
148.11171	14.0
148.12329	0.8
149.09564	2.4
149.13225	6.9
151.11137	1.5
151.14804	0.9
153.09076	0.8
153.12666	1.0
155.08496	1.2
157.10094	5.3
159.08041	1.6
159.10158	2.2
159.11670	8.5
161.09599	3.7
161.13229	6.1
163.11145	2.0
163.14775	4.3
165.09119	1.3
167.06966	0.7
169.10056	1.7
170.10960	0.8
171.11658	5.6
173.09570	1.9
173.13191	6.4
175.11194	2.1
175.14801	4.5
177.09117	1.1
177.12758	2.8
177.16345	2.6
179.10672	3.8
183.11681	3.0
185.09688	0.7
185.13185	5.4
187.11205	1.6
187.14799	5.7
189.12753	1.4
189.16315	4.8
191.10634	1.4
191.17952	4.5
195.11690	1.5
197.13219	2.5
199.11238	0.9
199.14865	3.8
201.12677	1.6
201.16307	3.6
203.14281	1.4
203.17871	4.0
205.12334	1.0
205.19479	0.7
209.13206	2.5
211.14841	2.1
213.12816	1.3
213.16330	1.9
215.14307	1.5
215.17896	1.3
217.12192	1.4
217.15831	1.3
217.19473	1.1
219.13802	1.7
223.14859	1.1
225.16307	1.6
227.14348	1.0
227.17900	1.5
229.15959	1.3
229.19540	1.4
231.13864	1.1
237.16258	1.3
239.17863	1.4
241.15999	1.0
241.19447	1.0
243.13617	0.9
243.17453	0.9
245.15327	2.0
245.19179	0.8
247.13338	1.0
249.14827	1.2
251.17966	1.1
253.19516	1.2
255.21103	2.5
257.19006	0.8
259.17038	0.9
267.20984	1.6
269.22525	0.8
273.18399	1.1
275.17477	1.4
283.24194	1.0
293.22647	2.6
295.24213	1.4
297.21915	1.2
299.20078	1.1
311.23706	2.7
313.21744	1.6
313.25119	1.6
315.23431	1.1
321.25912	1.0
329.24765	1.2
339.23016	2.4
349.25278	1.2
357.24200	14.0
363.26865	0.8
365.28439	2.5
367.26239	1.6
375.25357	1.6
378.18109	1.0
381.27835	1.0
383.29401	6.2
393.31445	1.3
401.30408	0.9
405.31100	0.8
411.32843	1.4
417.31378	1.3
423.32870	0.8
435.32507	11.1
453.33539	29.2
471.34549	9.3
489.35410	1.6
561.34314	1.4
563.35901	1.7
573.37646	0.8
615.38629	8.1
633.39856	50.8
634.40424	1.4
651.40948	72.5
652.41547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4092
Annotation	CHEBI:69365
Peak:m/z	Relative Intensity
53.03930	1.0
55.01845	0.7
55.05502	5.4
56.71824	0.4
57.03430	2.6
57.07071	2.0
59.04977	1.8
61.02917	21.3
65.03911	0.9
67.05496	9.4
69.03419	8.6
69.07058	6.4
70.98809	1.2
70.99153	0.4
71.01332	0.6
71.04989	7.0
73.02908	7.2
79.05481	4.3
81.03400	2.7
81.07045	14.3
83.04968	36.6
83.08610	3.3
83.37897	0.4
85.02892	22.2
85.06522	1.6
87.04437	1.1
91.03944	11.8
91.05467	7.7
91.11789	0.4
93.07028	16.3
95.04955	4.2
95.08594	25.6
97.02879	14.2
97.06507	3.9
97.10152	2.0
99.04446	1.5
99.08078	0.9
101.02351	1.3
103.05449	0.5
105.07014	11.9
107.04937	1.0
107.08578	22.9
109.02854	1.3
109.06500	3.0
109.09390	1.0
109.10142	17.3
111.08073	1.6
111.11697	1.4
113.05984	1.1
113.09632	3.9
115.03896	1.1
117.07003	2.8
119.04936	0.4
119.08565	16.8
120.08067	0.6
121.06463	2.4
121.10128	19.1
122.07269	1.3
123.04421	0.6
123.08052	17.0
123.11684	9.2
125.09629	3.3
127.03907	4.4
127.11199	1.5
128.06187	0.6
129.06967	1.5
131.08554	5.7
133.06526	0.5
133.08987	0.7
133.10104	17.4
135.07170	0.4
135.08038	2.6
135.11674	18.7
137.09596	100.0
137.13199	5.1
138.09958	0.8
139.07538	0.9
139.11166	1.8
141.09088	6.5
142.07770	1.0
143.08545	4.7
143.10596	0.5
144.09349	0.6
145.04953	2.8
145.06418	0.6
145.10104	8.8
145.11208	0.7
147.04372	0.6
147.08014	1.6
147.11668	9.0
147.55710	0.5
148.11188	13.8
149.05959	0.7
149.09613	1.7
149.13235	7.7
151.07555	0.6
151.11192	1.3
151.14828	0.6
153.12738	1.5
155.08513	2.3
156.09331	0.9
157.10097	5.6
158.10814	0.5
159.08051	1.5
159.10176	2.2
159.11679	9.1
161.09563	2.6
161.13214	6.1
163.05963	0.4
163.07500	0.8
163.11122	2.0
163.14807	4.6
165.09111	1.1
165.12721	0.6
167.08476	0.5
167.10681	0.5
169.10098	2.7
170.10881	0.5
171.11674	5.4
173.09601	1.1
173.13237	6.4
175.07460	0.5
175.11154	2.1
175.14780	4.1
177.09102	0.9
177.12761	2.0
177.16391	2.2
179.10657	3.4
179.14299	0.7
181.10112	1.3
182.10925	0.7
183.11658	3.0
185.09581	0.5
185.13210	4.9
187.11191	1.4
187.14783	5.5
189.09178	0.4
189.12733	1.7
189.16348	4.3
191.10655	1.2
191.17947	4.5
193.12184	1.1
195.11591	0.8
197.13235	2.9
199.11198	1.2
199.14813	4.1
201.12781	1.5
201.16319	4.0
203.10588	0.6
203.14331	2.0
203.17917	3.8
205.12283	0.6
205.15823	0.4
205.19472	1.0
207.17558	0.9
209.13257	1.6
210.13873	0.6
211.11078	0.5
211.14787	2.3
213.12790	1.4
213.16249	2.4
215.14320	1.3
215.17924	1.3
217.12245	1.1
217.15767	0.7
217.19543	1.7
219.13795	1.3
223.14844	1.7
225.12732	0.6
225.16396	1.5
227.14302	1.3
227.17978	1.5
229.15906	1.6
229.19501	1.3
231.13785	1.7
231.17383	0.9
233.10083	0.5
233.15323	0.9
237.16440	0.8
239.17986	1.0
241.15854	1.1
241.19569	0.8
243.13768	0.8
243.17467	1.1
243.21127	0.6
245.15314	2.1
247.13235	0.9
247.18251	0.5
249.14693	0.6
251.17964	0.8
253.19597	1.5
255.17448	1.0
255.21103	1.8
257.19098	0.5
259.16864	1.0
261.14764	0.6
263.16473	0.6
265.19562	0.6
267.21207	0.8
269.22635	1.1
271.17056	0.6
271.20639	0.7
275.17542	1.9
279.21060	1.1
281.22678	1.0
283.20648	0.5
283.24170	0.8
287.20200	0.9
293.22632	3.1
295.24127	1.0
297.18567	0.5
297.22153	1.1
299.20044	1.0
301.21756	0.6
305.23056	0.5
309.22137	0.7
311.20209	0.7
311.23587	3.6
313.21704	1.7
313.25385	1.5
315.23273	1.8
317.21207	1.3
321.25699	0.8
323.27222	0.5
327.23291	0.7
329.24762	1.4
331.26318	1.0
339.23175	2.2
339.26956	1.1
349.25156	2.2
357.24167	12.3
363.26810	0.8
365.28424	2.4
367.26407	1.8
375.25363	0.9
378.18106	1.5
381.27884	0.7
383.29443	6.2
393.31531	1.8
399.29126	0.7
407.32968	0.8
411.32651	1.4
417.31335	1.9
423.32571	1.6
425.34045	0.7
435.32544	14.2
441.33777	0.5
453.33572	25.1
454.33881	1.4
471.34662	12.5
472.34995	0.5
489.35681	1.8
561.34167	1.2
563.35492	1.4
615.38849	7.1
633.39905	44.6
634.40125	1.9
651.40942	71.2
652.41388	3.8
673.80005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4092
Annotation	CHEBI:69365
Peak:m/z	Relative Intensity
53.03932	1.8
55.01844	0.8
55.05499	4.7
57.03428	3.0
57.07043	1.9
59.04973	2.2
61.02610	1.2
61.02916	22.4
65.03915	0.7
65.30923	0.6
67.05189	0.6
67.05495	6.8
69.03413	6.6
69.06741	0.5
69.07056	6.4
70.06546	0.9
71.04656	0.6
71.04981	6.2
73.02907	7.8
79.05481	7.2
80.08558	0.6
81.03385	2.1
81.06593	1.0
81.07042	13.5
83.04968	30.6
83.08624	3.0
83.09015	0.5
85.02374	1.2
85.02889	22.9
85.06523	1.3
91.03940	14.3
91.04969	1.0
91.05463	8.9
91.42418	0.5
93.07030	16.8
95.04961	3.2
95.08594	26.5
97.02878	12.2
97.06507	3.4
97.10140	2.0
99.04415	1.6
99.08101	0.9
101.02366	1.7
103.03943	1.0
103.05423	1.0
105.07018	13.6
107.04976	1.2
107.08578	21.6
109.02844	0.9
109.06503	3.0
109.10138	17.2
111.08083	1.0
111.11658	1.1
113.05962	1.2
113.09635	4.0
115.03885	1.2
117.05545	0.6
117.06978	3.1
119.08562	15.9
120.08068	2.2
121.06465	2.1
121.10127	18.8
122.07263	0.9
123.08047	15.6
123.11673	8.8
125.09635	3.6
127.03892	5.7
127.11176	0.9
129.06985	2.2
131.08528	6.7
133.06415	0.9
133.08858	3.4
133.10104	15.2
134.06000	1.6
134.09608	0.9
135.08047	2.3
135.11678	18.6
137.09592	100.0
137.13164	4.3
139.07544	0.8
139.11154	2.0
141.09084	7.5
142.07829	1.0
143.08542	4.1
145.04945	2.3
145.06419	0.6
145.10104	9.9
147.04382	0.6
147.08026	2.0
147.11659	10.0
148.11186	58.5
149.09587	2.1
149.13235	6.9
151.07495	1.5
151.11183	0.8
151.14745	0.5
153.12715	0.7
155.07324	0.7
155.08516	2.3
156.09294	0.8
157.10100	6.2
159.08057	1.3
159.10156	3.0
159.11670	9.1
161.09593	1.8
161.13226	6.6
163.03854	0.8
163.06075	0.9
163.07452	0.9
163.11160	1.9
163.14801	4.4
165.09015	1.5
165.12767	0.7
166.35335	0.8
167.08487	0.6
167.10583	0.6
168.09471	0.7
169.10051	2.8
171.11700	5.5
173.09636	1.8
173.13257	4.7
174.09155	0.7
175.11194	1.9
175.14784	4.2
177.09164	0.9
177.12727	1.8
177.16347	2.8
179.10640	3.3
181.10136	1.0
183.11658	3.0
185.13243	5.5
187.11183	1.9
187.14772	5.2
189.12691	1.4
189.16400	3.5
191.10600	1.3
191.14357	1.1
191.17934	5.0
193.12238	1.7
195.11687	1.1
197.13225	3.3
199.11174	0.6
199.14879	3.9
201.12715	1.8
201.16354	3.6
203.10632	1.4
203.14333	2.2
203.17926	3.5
205.15842	1.0
207.17517	1.4
209.13226	1.3
211.11232	0.8
211.14786	2.2
213.12778	1.1
213.16306	3.1
215.14247	1.1
215.17905	1.4
217.15831	1.2
217.19505	2.0
219.13744	1.4
221.15370	0.6
223.14838	1.2
225.16415	1.5
227.14320	1.2
227.17943	1.0
229.15887	1.0
229.19443	1.0
231.13799	1.5
237.16443	0.9
239.17970	1.4
241.15991	0.7
241.19557	1.2
243.13673	1.1
243.21089	0.8
245.15350	2.1
247.13342	1.0
247.18170	3.1
251.18030	0.8
253.19595	1.6
255.17468	0.9
255.21033	2.5
257.18994	0.7
259.17041	0.7
267.21057	0.9
269.18927	0.8
271.16980	0.7
271.20709	1.0
273.18561	1.1
275.17581	5.6
279.20956	0.7
281.22626	1.4
283.20477	0.9
293.22577	2.9
295.24072	1.1
297.22012	1.0
299.19998	1.4
301.21805	0.9
304.47702	0.8
311.23553	2.9
313.21982	1.1
313.25250	2.3
315.23120	2.1
317.21063	1.4
321.25809	1.2
327.23169	0.7
329.24942	1.2
331.26404	0.9
337.67386	0.6
339.23175	1.8
339.26813	0.8
349.25204	2.0
350.18430	0.8
357.24191	14.3
357.28220	1.1
365.28378	2.9
367.26352	1.4
375.25339	1.2
378.18216	3.5
383.29367	7.4
393.31760	1.3
399.29221	1.0
401.30124	0.8
407.33109	1.1
411.32306	2.1
417.31491	1.7
425.34067	0.9
435.32492	12.0
436.33417	0.7
453.33603	26.9
471.34604	13.6
489.35596	5.0
561.34393	1.2
563.36017	1.1
615.38678	6.9
633.39880	47.7
634.40161	1.1
651.40942	69.0
652.41968	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	651.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.2
57.03425	3.4
57.07046	1.8
61.02920	15.1
67.05500	7.9
69.03416	5.0
69.07051	4.5
69.62077	8.4
69.62505	4.4
71.04977	7.2
73.02900	5.1
79.05466	5.6
81.03414	2.3
81.07048	13.9
83.04964	22.0
83.08595	3.5
85.02894	21.3
85.06475	1.6
91.03934	7.7
91.05454	5.5
93.07025	15.2
95.04951	4.8
95.08596	21.1
97.02881	9.9
97.06534	2.8
97.10152	1.9
99.04443	1.7
105.07001	11.1
106.06525	1.9
107.08566	15.4
109.06496	3.1
109.10149	14.4
111.08093	1.5
113.09677	3.1
114.12761	3.6
115.03917	1.4
115.13120	1.7
117.06999	2.7
119.04945	1.9
119.08555	10.7
121.06499	2.4
121.10130	16.0
122.06013	2.2
123.08057	13.4
123.11660	6.3
124.07569	13.6
125.09581	3.2
127.03889	3.8
129.06987	1.5
131.08563	6.8
133.10095	13.3
135.08044	2.1
135.11682	11.5
136.07564	10.0
137.05968	1.8
137.09595	58.4
137.13255	4.1
141.09106	5.5
143.08530	4.6
143.10631	1.9
144.32332	1.1
145.04982	2.4
145.10104	11.7
146.05998	5.1
147.04411	2.4
147.11705	7.2
148.07565	4.7
149.09587	1.9
149.13213	4.7
157.10146	5.8
159.10361	1.5
159.11678	8.3
161.09642	2.2
161.13264	6.9
163.03918	3.2
163.11179	2.0
163.14777	3.9
164.07048	24.3
165.68726	1.2
166.08640	21.1
169.10101	1.4
171.11691	3.9
172.03935	1.9
173.09677	1.5
173.13271	5.1
174.05507	4.1
175.11134	1.3
175.14804	3.1
176.07050	5.4
177.05489	2.4
177.16356	2.7
178.07784	1.4
179.10687	2.4
183.11685	2.9
185.13255	4.2
187.11234	1.9
187.14824	5.0
189.12778	1.7
189.16374	3.8
191.17908	2.5
195.11652	1.7
199.14792	2.9
201.12802	2.2
201.16333	3.0
203.18034	2.5
203.97643	1.3
204.06526	3.6
206.08214	2.0
209.10997	1.4
209.13344	2.1
210.11577	2.5
211.14726	1.9
213.16397	1.9
219.13647	1.6
222.11443	1.4
223.12225	2.0
227.11726	2.1
227.17969	2.0
229.15771	1.6
235.12361	2.9
236.13116	2.1
237.10213	5.5
237.13853	2.9
238.10979	2.8
239.11746	8.0
245.13126	1.6
245.15331	1.6
248.09459	1.4
249.10136	6.8
250.10976	5.3
251.11778	11.3
252.12665	2.8
253.13364	3.4
263.11761	16.5
264.08478	1.4
264.12509	2.7
265.09680	6.1
265.13345	35.5
266.13684	1.9
267.11194	2.7
269.12817	3.8
271.14438	3.1
277.09692	6.9
278.10565	2.3
279.11240	46.2
280.11829	2.9
281.12836	2.1
287.13797	1.9
291.11218	9.7
292.12122	1.3
293.12799	7.0
293.22556	2.5
294.13647	2.8
295.10794	8.2
296.11472	4.1
297.12311	20.1
298.13007	2.9
303.13223	1.7
305.15048	2.7
309.12305	51.1
310.13022	21.8
311.13812	27.1
311.23663	1.6
312.14551	4.8
313.15475	2.3
319.10800	6.3
321.12225	4.3
323.10144	1.9
323.16141	2.0
337.11786	100.0
338.12524	33.7
339.13309	20.6
349.25366	1.9
357.24109	8.2
365.28522	1.6
367.26660	1.7
369.14426	21.5
370.15082	7.8
371.15887	12.0
383.29282	4.0
388.16281	1.6
399.15625	2.8
400.16586	2.9
401.13480	2.8
405.31442	1.7
416.16156	2.1
431.03223	1.4
435.32663	7.9
436.22250	46.1
437.22812	2.3
440.15994	1.6
453.33633	20.2
458.17169	4.0
462.20160	51.2
463.20673	2.8
464.22079	1.8
469.32831	2.5
471.34567	9.7
476.18024	4.8
480.21268	11.4
487.34100	1.6
489.35596	3.0
494.22989	60.5
495.23108	2.8
505.35193	3.0
510.22137	1.6
559.25098	2.2
566.48438	1.5
583.25684	7.7
601.26404	8.7
615.39032	3.2
619.27625	28.9
620.27313	3.0
633.29901	2.3
633.39874	27.4
651.30060	7.6
651.40686	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	651.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05500	1.0
57.03423	0.8
57.07077	0.4
59.04994	0.4
61.02909	1.5
61.19569	0.4
67.05501	2.0
69.03413	1.3
69.07053	1.6
69.89545	2.5
70.06586	0.6
71.04986	2.6
73.02896	0.5
77.03887	0.4
79.05486	1.9
81.03403	1.0
81.07038	3.7
83.04963	3.3
83.08618	0.4
85.02896	6.2
85.06520	0.5
86.09720	0.4
91.03945	1.0
91.05470	1.7
93.07021	3.3
94.06629	0.3
95.04948	1.1
95.08584	3.7
96.08122	0.5
97.02892	1.6
97.06522	1.0
98.21424	0.4
105.07005	2.5
107.04926	0.5
107.08577	3.4
109.02842	0.4
109.06522	0.6
109.10119	1.9
111.08077	0.9
114.09155	0.4
117.03391	0.5
117.07049	0.5
117.11647	0.3
118.75361	0.4
119.04921	0.5
119.08554	3.0
121.06469	0.5
121.10123	2.1
122.06026	0.8
123.08039	1.8
123.11703	1.1
124.07563	5.9
127.03895	0.8
129.05482	0.4
129.07098	0.3
130.08591	2.1
131.08580	1.1
133.10110	2.3
134.05984	0.7
135.04401	1.0
135.08035	0.6
135.11667	1.8
136.07552	7.4
137.05946	0.8
137.09587	6.7
137.13243	0.5
140.07053	0.6
141.09087	0.4
143.08565	0.5
144.04448	0.6
145.02855	1.1
145.09129	0.4
145.10094	2.0
146.05984	1.9
146.09648	0.9
147.04385	2.0
147.08051	0.7
147.11678	1.8
148.07559	1.1
149.09618	0.5
149.13235	1.3
151.11099	0.4
152.07059	0.9
157.10091	0.8
159.08037	0.4
159.11681	1.2
160.09735	0.4
161.09644	0.3
161.13229	1.0
162.05508	0.7
162.09114	0.4
163.03880	6.2
163.14789	0.8
164.07036	12.9
165.09082	0.4
166.08612	6.5
171.11655	0.7
172.03876	2.1
173.13274	0.6
174.05525	1.2
175.14772	0.6
176.07030	2.2
177.05453	1.0
177.12776	0.6
179.10713	0.5
183.11565	0.4
185.13287	1.0
187.14806	1.0
189.12627	0.4
189.16376	0.7
190.05028	0.5
192.06448	0.6
199.14848	0.4
201.16440	0.6
204.06526	2.7
206.08113	1.7
207.06499	0.4
210.11533	1.9
211.12454	0.6
211.14685	0.5
213.12805	0.4
213.16307	0.4
215.17973	0.4
217.19572	0.4
221.10907	0.4
222.11511	1.4
223.12343	0.8
224.13063	0.7
225.10257	0.6
227.11794	0.6
235.08597	0.7
235.12360	1.3
236.09167	0.4
236.13089	0.4
237.10197	4.3
237.13853	2.0
237.16167	0.4
238.10889	1.8
239.11809	2.9
245.12923	0.6
245.15271	0.4
247.12279	0.9
248.09341	2.2
249.10182	4.2
250.10945	3.6
251.11768	5.9
251.14253	0.5
252.12468	0.7
253.13303	1.1
255.11076	0.5
262.11017	0.6
263.11755	16.3
264.09039	0.6
264.12500	3.7
265.09805	5.3
265.13367	17.4
266.10361	1.0
266.13968	1.4
267.11270	1.4
267.14941	0.4
269.12827	2.7
271.10895	0.5
271.14493	1.0
277.09698	1.2
278.10419	1.7
279.11240	21.0
280.11838	1.5
281.12723	1.6
282.13702	1.1
283.11276	0.5
283.14398	0.9
287.13913	1.2
291.11221	5.7
292.11945	1.6
293.12781	4.2
294.13486	1.2
295.10776	2.5
296.11591	1.3
297.12292	14.0
298.12982	1.2
299.13980	0.8
303.13254	0.5
309.12283	40.3
310.13028	14.9
311.13852	8.3
312.14496	0.8
313.15283	0.4
315.12976	0.4
319.10770	3.0
321.12408	1.1
323.15939	0.6
323.27216	0.4
325.12146	0.5
327.13284	0.7
327.23209	0.5
329.15079	1.2
331.16547	0.6
337.11768	32.8
338.12527	15.4
339.13245	6.2
342.15646	0.5
344.17514	0.4
352.13943	0.4
355.13092	0.6
356.13855	0.4
357.23868	0.6
369.14380	41.1
370.15103	9.0
371.15933	7.6
374.14798	0.5
383.29565	0.4
392.16022	0.7
398.14819	0.5
399.15421	0.5
400.16428	1.8
416.15784	0.5
434.16327	0.7
435.32437	1.1
436.22232	7.1
453.33673	2.0
458.17099	1.0
459.17358	0.4
462.20203	7.5
463.20633	0.5
464.21274	0.4
469.33002	1.0
471.34473	1.9
476.18188	1.4
480.21243	1.2
487.34100	0.5
489.35690	2.5
494.22818	100.0
495.23328	5.1
505.35248	2.3
559.25238	1.6
583.25366	4.8
583.80347	0.4
591.27954	0.8
601.26538	2.7
615.27985	1.4
615.38098	0.6
619.27600	5.3
633.29700	0.6
633.39801	3.1
651.29834	2.2
651.40973	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	651.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30832	0.4
53.03882	0.4
61.02826	1.6
65.80431	0.4
67.05427	0.9
69.03339	0.8
69.06971	1.2
69.07311	0.4
70.17130	1.9
71.04917	0.8
73.02832	0.8
79.05379	1.6
81.06945	2.2
83.04870	2.6
83.08530	0.5
85.02791	2.9
88.60838	0.3
91.03854	0.9
91.05364	1.1
93.06931	1.4
94.06483	0.7
95.04877	0.9
95.08489	2.7
96.08011	0.4
97.02787	1.5
97.06403	0.5
104.70622	0.4
105.06909	1.7
106.06529	2.4
107.08567	2.8
108.07995	0.4
109.02787	0.9
109.10122	1.9
110.05956	0.6
114.12685	1.2
119.08552	1.8
120.04375	0.8
120.07976	1.6
120.08755	0.4
121.05185	0.7
121.10118	1.9
122.06029	2.0
123.07933	1.5
123.11624	0.7
124.07565	13.1
125.09563	0.4
127.03771	0.8
131.08417	0.6
132.07863	0.5
133.06393	0.4
133.10001	1.6
134.05945	0.7
135.11647	2.3
136.07550	10.2
137.09589	6.3
138.05452	0.5
140.06914	0.8
141.08965	0.4
143.08430	0.5
144.07918	0.4
145.04866	0.7
145.09984	1.3
146.06027	3.3
146.09598	1.8
147.06657	0.4
147.11549	1.2
148.07532	4.7
149.13118	1.1
150.05428	0.5
150.09035	0.7
152.06946	1.7
154.04878	0.6
157.10098	0.7
158.05910	0.4
159.07887	0.5
159.11580	0.8
160.07506	0.5
161.13173	0.9
162.05470	0.6
163.03812	1.0
163.06026	0.5
163.14799	0.5
164.07039	22.6
165.07266	0.4
165.56567	0.4
166.08606	22.2
167.08801	0.5
171.11588	0.7
172.03903	2.1
172.07405	0.4
173.04573	0.6
173.13139	0.7
174.04268	0.4
174.05486	4.1
175.14577	0.5
176.07040	6.2
178.08469	0.5
187.10934	0.5
187.14764	0.6
189.16296	0.5
190.04839	1.3
191.05612	1.2
191.17792	0.4
192.06392	0.7
195.24739	0.4
204.06512	3.1
206.08096	1.1
208.09581	0.6
209.10654	0.6
210.11423	1.9
211.08525	0.5
211.12166	1.6
213.10190	0.5
217.15828	0.4
218.08049	1.2
221.10564	1.1
222.11290	0.8
223.12146	2.0
224.12930	0.9
225.10103	1.0
225.13666	0.7
226.10736	0.4
227.11649	1.4
235.08553	1.7
235.12175	1.9
236.09262	0.8
236.12918	1.6
237.10170	6.1
237.13821	2.6
238.10895	4.7
239.11749	7.4
240.12285	0.5
243.11227	0.8
243.17438	0.4
245.12666	1.2
245.14940	0.4
246.07581	0.9
247.12270	0.8
248.09344	3.5
248.13055	0.6
249.10153	6.0
250.10892	6.2
251.11754	11.5
252.12392	2.3
253.13354	3.4
254.10327	0.6
255.11206	1.1
262.10870	1.2
263.11737	20.6
264.08691	1.7
264.12442	3.5
265.09668	7.3
265.13266	34.9
266.10327	1.0
266.13831	3.8
267.11169	2.5
267.14542	0.7
268.11884	0.9
269.12781	5.0
270.13486	0.6
271.11002	0.7
271.14316	3.5
275.11707	1.2
276.08725	0.5
277.09647	5.2
277.12894	0.7
278.10370	2.5
279.11234	46.9
280.11935	5.2
281.12857	2.4
282.13556	1.4
283.11066	0.6
283.14310	2.3
284.11346	1.2
284.14444	0.5
285.12357	0.4
287.13876	2.3
291.11218	7.9
291.27072	0.5
292.11929	2.2
293.12766	7.9
294.13589	1.5
295.10764	7.8
295.14029	0.9
296.11353	2.3
297.12286	23.4
298.12936	4.0
299.13776	1.1
301.11926	0.6
303.13449	0.7
305.14877	1.9
309.12274	54.6
310.13022	24.9
311.13821	28.5
312.14514	5.9
313.12006	0.7
313.15195	2.9
314.15756	0.5
315.13431	1.2
316.14359	0.4
319.10703	6.7
320.11377	1.3
321.12131	3.2
323.10199	0.9
323.16089	2.1
324.10895	0.9
325.11761	1.1
329.15048	1.5
331.16516	0.9
337.11761	100.0
338.12494	36.0
339.13309	20.2
340.13803	1.1
353.15195	0.5
355.13098	0.5
356.13873	0.8
357.14307	0.8
357.24091	1.1
358.15460	0.9
365.11224	0.5
366.17966	0.6
369.14401	28.0
370.15186	6.8
371.15930	13.3
372.16833	0.7
374.14868	1.1
383.29587	0.6
384.13379	0.7
386.14935	0.7
388.16580	0.5
390.18048	0.9
397.14182	0.5
398.14722	0.9
399.15457	1.9
400.16467	3.3
401.13385	3.8
416.15997	1.7
417.16632	1.2
418.17322	0.8
420.18781	0.5
430.17419	0.4
432.18985	0.8
434.16788	1.2
434.21420	1.1
435.32556	1.0
436.22266	43.6
437.22662	3.5
440.16092	0.5
448.18915	0.5
450.20615	0.4
453.33578	2.0
458.16937	3.5
459.17941	1.4
462.20166	47.9
463.20456	3.2
464.21906	1.2
471.34808	1.2
476.18106	3.0
480.21219	11.4
481.21863	0.9
489.36118	0.6
494.22928	55.2
495.23682	3.3
541.24133	0.5
559.25262	3.4
575.28583	0.8
583.25476	7.2
583.34076	0.6
584.25854	0.7
591.28204	1.3
601.26514	9.4
602.26312	0.7
615.28052	0.8
619.27484	24.0
620.27850	2.2
633.29541	1.2
633.40356	3.6
651.30341	6.3
651.41132	4.8
652.30206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.3
55.05708	0.3
57.03395	0.6
59.04960	0.6
61.02910	1.5
67.05490	1.8
69.03419	1.6
69.07063	2.0
69.89576	2.1
71.04982	3.6
72.67492	0.3
73.02870	0.8
76.95506	0.2
79.05479	1.9
81.03360	1.3
81.07043	3.7
83.04964	3.3
83.08585	0.8
84.08099	0.4
85.02891	6.2
85.06499	0.6
86.09649	0.3
89.03887	0.3
91.03908	0.8
91.05446	2.2
93.07035	3.2
95.04908	1.2
95.08590	4.8
97.02853	1.8
97.06483	0.8
97.10129	0.5
99.04404	0.6
105.07012	2.9
106.06552	0.4
107.04929	0.4
107.08574	4.0
109.02831	0.8
109.06484	0.6
109.10133	2.7
110.07068	0.4
111.04414	0.4
111.08035	0.7
113.05914	0.3
113.09542	0.4
114.09109	0.9
117.03322	0.6
117.06989	0.8
119.04912	0.5
119.08560	3.5
119.55425	0.3
120.08059	0.5
121.06496	0.7
121.10110	3.0
122.05985	0.8
123.08057	1.8
123.11694	2.1
124.06752	0.4
124.07571	5.5
125.09554	0.8
127.03844	1.3
129.05457	0.6
129.06949	0.5
130.08612	1.7
131.04871	0.3
131.08487	1.5
133.10094	3.2
134.05983	0.3
135.04402	1.4
135.08018	0.5
135.11684	2.6
136.06546	0.5
136.07550	6.4
137.05882	0.9
137.08575	0.5
137.09592	7.4
137.13176	0.6
138.09055	0.3
141.09047	0.7
143.08490	0.9
143.10634	0.4
144.08122	0.4
145.02789	1.3
145.04842	0.5
145.10098	1.8
146.06023	2.2
146.09593	0.7
147.04373	2.2
147.06413	0.3
147.07970	0.3
147.11661	2.1
148.07506	1.1
149.09615	0.6
149.13232	1.5
151.03830	0.6
151.11082	0.3
152.07036	0.7
154.04915	0.4
155.08475	0.5
157.10057	0.9
159.08012	0.5
159.10214	0.7
159.11626	1.9
160.09619	0.4
161.09517	0.4
161.13184	1.1
162.05431	0.4
162.08998	0.8
163.03877	9.4
163.11148	0.6
163.14789	0.6
164.07039	9.9
166.08609	5.9
167.07014	0.4
169.10094	0.6
171.11607	1.0
172.03868	1.7
173.13162	0.9
174.05435	1.3
175.07393	0.3
175.14702	0.6
176.06993	2.2
177.05423	1.0
177.12648	0.3
177.16360	0.4
179.10611	0.9
183.11589	0.6
185.13185	1.2
187.11128	0.5
187.14796	0.8
188.03516	0.3
189.12640	0.5
189.16365	0.8
190.04892	0.5
191.14175	0.5
191.17921	0.5
192.06517	0.5
197.13202	0.6
199.14731	0.8
200.34398	0.3
201.12727	0.3
201.16380	1.1
203.14212	0.4
203.18056	0.6
204.06538	3.3
206.08055	1.7
207.06703	0.3
208.09641	0.4
209.10774	0.4
209.13141	0.5
210.11406	1.4
211.12138	0.6
213.16292	0.4
215.17995	0.3
217.19351	0.3
219.17403	0.3
221.10765	0.4
221.13095	0.3
222.11478	0.4
223.12239	1.2
224.12982	0.6
225.10164	0.8
227.11792	0.6
235.08577	1.0
235.12225	1.2
236.09277	0.5
236.12981	0.5
237.10170	4.1
237.13806	1.4
238.10974	1.7
239.11794	3.0
241.19463	0.6
247.12326	0.6
248.09410	1.8
249.10135	3.5
250.10960	3.3
251.11780	6.0
252.12473	0.7
253.13290	1.1
255.11308	0.5
262.11005	0.4
263.11740	16.0
264.12485	3.1
265.09714	4.4
265.13315	15.2
265.16190	0.7
266.10471	0.6
266.13934	1.1
267.11298	1.0
269.12811	2.6
271.10931	0.4
271.14316	1.1
277.09711	1.0
277.12888	0.4
278.10480	1.3
279.11246	19.1
280.11960	1.4
281.12769	1.4
282.13635	1.3
283.11188	0.6
283.14410	1.2
284.11450	0.5
287.13916	1.2
291.11267	3.9
292.11911	1.5
293.12808	4.0
294.13562	1.0
295.10742	2.0
295.14011	0.7
296.11545	1.5
297.12292	12.0
298.12936	1.0
303.13406	0.5
305.14984	0.4
309.12289	38.5
310.13028	12.8
311.13791	6.8
312.14603	0.7
315.13440	0.8
319.10675	3.1
321.12189	0.9
323.16055	0.5
325.08829	0.6
329.14978	1.3
331.16718	0.4
337.11774	29.8
338.12506	13.8
339.13309	6.4
341.14789	0.3
351.13147	0.5
355.12759	0.7
356.13641	0.5
357.24054	1.0
369.14404	38.6
370.10703	0.6
370.15103	8.0
371.15900	6.8
372.16513	0.7
381.27832	0.3
383.29276	0.6
398.14587	0.3
399.15778	0.7
400.16568	1.4
401.13211	0.3
414.18164	0.5
416.16101	0.8
417.16733	0.4
434.21289	0.7
435.32639	1.3
436.22314	7.1
450.20328	0.5
451.32339	0.5
453.33578	2.8
458.17383	1.4
459.17776	0.5
462.20151	6.7
463.20721	0.5
464.21976	0.4
469.33118	1.3
471.34555	2.0
476.18036	1.3
480.21005	1.4
487.33963	1.8
489.35706	3.2
494.22818	100.0
495.23318	4.7
505.35318	3.0
559.25336	1.4
583.25409	5.0
591.28534	0.5
601.26581	2.5
615.27820	1.5
615.37970	0.5
619.27618	4.9
633.29932	0.5
633.39801	3.3
651.30084	2.7
651.40924	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	649.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.6
55.01867	8.4
55.05503	23.1
55.19761	1.4
57.03430	14.1
58.50227	1.4
62.05399	1.2
65.03916	5.0
67.05497	67.8
69.03420	21.0
69.07053	16.1
70.14007	7.5
71.04980	6.7
73.02914	2.1
73.06541	1.9
79.05482	100.0
81.03409	44.5
81.07047	61.7
81.07531	3.3
83.04967	23.3
83.08594	8.4
85.02892	15.4
85.06525	3.9
91.05468	85.1
93.07028	84.2
95.04954	40.8
95.08598	36.5
97.02885	10.4
97.06532	8.6
97.10139	4.9
99.04449	4.4
99.08033	1.7
103.05457	4.5
105.04509	2.6
105.07018	69.3
107.04940	15.6
107.08581	30.3
109.02895	7.5
109.06506	10.7
109.10136	8.6
111.08045	2.8
115.03927	1.7
115.05444	6.6
116.06214	1.6
117.07001	26.3
119.04915	3.2
119.08569	39.1
119.88570	1.3
121.06469	8.9
121.10113	11.1
123.04406	4.4
123.08053	9.0
125.05959	2.2
127.03909	8.5
127.07554	2.4
128.06203	10.2
129.05489	3.2
129.06990	43.2
131.04881	5.1
131.08560	19.9
133.06459	6.3
133.10120	19.2
135.08037	5.3
135.11655	5.8
137.09613	2.4
141.06975	7.4
142.07764	2.6
143.08549	25.2
145.06429	7.7
145.10110	19.1
147.04379	4.8
147.08029	8.5
147.11667	49.0
149.05981	2.4
149.09598	2.4
149.13206	1.5
151.07520	1.9
155.08519	5.5
156.09319	2.4
157.06479	5.1
157.10081	6.5
159.08058	6.2
159.11624	7.9
161.05908	1.6
161.09613	6.6
161.13220	18.1
163.07457	1.7
163.11166	3.9
165.06964	2.2
167.08504	4.8
169.06514	1.4
169.10088	5.4
171.08044	9.7
171.11656	41.7
173.04422	11.9
173.09631	3.5
173.11797	1.4
173.13235	4.8
175.07584	1.6
175.11198	1.9
177.12717	1.9
179.08511	2.8
179.14319	2.4
181.10101	4.8
183.08046	2.3
183.11703	2.8
184.07274	1.3
185.09621	6.5
185.13214	4.4
187.11148	5.2
187.14769	1.9
189.12718	20.8
191.14336	1.9
193.10156	2.2
195.11691	2.9
195.13554	1.4
197.09595	1.9
197.13222	4.5
199.11137	1.9
199.14772	2.8
201.12683	1.6
203.14211	2.5
207.11902	1.9
207.13777	37.9
209.13223	1.8
213.16338	2.1
215.14264	1.8
221.15350	2.2
223.14813	4.5
225.12802	2.4
225.14645	6.3
227.14319	3.3
231.13812	3.2
233.13315	2.5
241.15889	8.0
245.15424	2.4
251.14276	6.0
259.16888	4.9
263.16324	2.0
269.15265	13.2
273.14865	1.6
279.15942	4.4
281.17438	74.1
287.16367	15.8
297.14737	1.9
305.17459	1.8
309.16876	3.9
315.15839	3.2
333.16812	3.1
343.18893	2.9
351.18069	2.6
361.19937	4.3
407.20392	4.2
425.21561	11.1
459.31281	2.1
469.28851	1.9
483.30841	1.7
487.30484	57.6
488.30280	2.5
501.31799	6.3
529.31238	4.6
537.31549	2.0
539.33533	4.3
549.32135	3.9
567.33124	10.3
595.31805	1.9
613.33197	1.9
631.34680	12.2
649.39294	7.6
649.49652	2.4
653.33044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59219	0.5
54.13524	0.5
55.05506	0.7
57.07069	0.8
67.05485	2.0
69.07050	1.1
69.51247	0.5
70.22138	0.9
70.22567	2.0
79.05476	0.5
80.90553	0.5
81.07049	2.2
83.08587	0.5
87.75513	0.4
91.05461	1.5
93.07032	1.2
95.08603	1.0
97.10168	0.5
105.06995	1.0
107.08527	1.1
109.10157	1.1
119.08542	1.2
131.08446	0.5
133.10092	0.9
135.08052	0.6
135.11639	1.2
147.11653	0.8
147.12891	0.5
153.63525	0.6
161.13376	0.6
165.05508	0.7
237.11295	1.0
255.69244	0.5
314.16522	0.5
401.17151	0.8
403.19193	1.2
404.19791	0.9
405.21164	0.6
417.20926	2.9
418.21442	0.7
419.22333	0.8
430.17593	1.1
431.18710	3.6
431.23380	1.2
432.23651	1.2
433.24130	2.7
444.19565	1.9
445.19943	6.2
446.20984	1.8
447.21640	2.2
458.16949	1.1
459.22162	6.3
460.22617	4.3
461.23676	3.4
472.18658	0.7
473.19205	5.4
474.20419	1.5
475.25552	1.2
487.20755	2.6
489.22815	1.3
501.22980	1.5
502.23746	2.8
503.24445	5.6
504.25510	0.6
505.21951	0.9
506.26358	0.6
515.24414	1.0
519.24207	1.0
529.26111	0.6
531.23962	1.1
532.24847	0.8
533.21814	1.0
534.21857	0.6
547.27216	10.8
548.26923	0.7
559.23651	0.7
560.23712	0.8
561.24530	3.3
577.24731	0.6
589.27991	21.0
590.28699	2.5
605.24054	0.6
607.29053	3.6
649.30109	100.0
650.30273	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	649.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72487	0.6
55.01865	1.6
57.07047	0.7
61.02914	0.7
67.05496	3.0
68.05008	1.2
69.03423	3.4
69.07050	2.0
69.59838	3.6
69.60268	2.6
70.06548	1.0
71.04977	1.4
72.08123	0.8
73.02901	0.7
79.05473	1.9
81.03402	3.0
81.07032	5.8
83.04976	1.2
83.08618	1.2
85.02885	7.0
85.06528	1.2
89.03864	0.8
91.05466	2.6
93.07021	4.1
94.06552	1.6
95.04976	2.6
95.08574	3.9
96.08113	2.3
97.02879	3.3
97.06502	1.1
98.06055	0.7
105.07029	2.7
106.06582	0.7
107.08598	3.5
108.08106	1.4
109.02859	2.7
109.06544	1.1
109.10154	1.8
110.06041	1.4
111.08071	1.4
112.07571	0.8
114.09138	6.4
114.12782	8.8
118.06574	0.7
119.04945	1.5
119.08553	2.5
120.04436	0.7
120.08085	1.0
121.06481	1.1
121.10134	2.3
122.06001	5.2
123.08009	0.7
123.11687	1.9
124.07573	47.6
127.03901	2.7
129.07074	0.8
130.08670	0.6
131.08539	1.2
132.08083	0.6
133.06512	0.7
133.10127	2.4
134.06000	1.3
135.04396	1.2
135.11676	1.6
136.06122	0.8
136.07527	1.8
137.05954	2.0
140.07092	2.0
143.08618	0.8
144.04440	1.2
145.02812	1.3
145.05011	2.1
145.10104	1.8
146.05983	11.2
147.04404	3.0
147.06842	1.0
147.11665	1.2
148.07536	3.7
151.03902	11.7
151.05042	1.4
152.07030	1.4
157.10201	0.8
158.08110	0.9
159.11652	1.0
160.07593	1.5
160.09668	5.2
161.09871	0.7
161.13242	1.0
162.05423	1.8
163.03873	5.1
163.06081	2.0
163.14844	0.8
164.07045	1.1
166.08630	0.8
172.03894	14.3
173.04698	2.9
174.05481	15.8
176.07040	6.1
177.05441	2.8
177.16348	0.8
180.10339	1.0
185.13301	1.0
187.12314	1.7
187.14789	1.2
188.07085	1.0
190.05009	2.6
191.05746	4.6
192.06573	1.9
197.10725	1.0
198.09224	1.1
199.08699	2.0
201.10281	1.4
204.06529	25.2
206.08078	7.6
208.09689	1.0
211.08632	1.8
212.09360	1.5
213.10240	2.7
214.10817	1.0
215.11870	4.1
225.10211	2.6
226.08818	1.2
226.11028	1.8
227.11778	1.4
236.09138	0.8
237.10316	2.3
238.10992	0.8
239.11769	2.1
240.12465	0.8
241.09734	2.7
243.11229	16.5
245.12897	1.5
249.10272	0.8
250.10959	0.8
251.11830	2.9
252.12421	1.2
253.09727	1.3
253.13304	0.9
254.10468	1.2
255.11354	2.2
255.20784	1.1
256.12122	1.5
257.13077	0.9
261.10031	0.8
263.08115	0.7
263.11725	1.8
264.08704	0.9
265.09656	4.0
266.10562	1.9
267.11270	1.9
269.09229	2.1
269.12860	8.1
270.10016	1.1
271.10849	2.4
271.14468	3.0
271.24405	0.9
277.09604	1.4
278.10516	0.9
279.11261	2.7
280.12012	1.3
281.09344	0.9
281.12833	1.6
283.10812	5.1
284.11597	1.5
285.12302	18.7
287.10184	4.9
295.10840	2.4
296.11533	1.2
297.12271	26.6
297.15515	1.5
298.13217	1.3
299.10272	4.2
299.13727	1.7
301.12018	2.0
302.12943	1.5
303.13348	56.9
304.14276	2.4
309.12375	1.6
310.12930	1.2
311.13834	1.8
313.11911	2.5
315.13422	11.0
316.10947	1.0
318.15985	3.5
319.16742	1.6
324.10968	1.2
325.11624	2.2
327.13687	0.8
328.14725	0.8
329.11362	1.6
329.14902	13.7
330.12485	1.7
330.16034	1.0
331.13171	1.8
332.13992	1.1
337.11893	0.9
339.13443	1.0
342.12311	1.2
343.15750	4.1
344.13733	3.6
345.14603	2.4
346.15439	3.5
347.16211	4.2
353.11456	1.7
354.12421	1.3
355.12888	2.8
356.10184	0.8
356.13989	1.6
357.14648	1.0
358.11627	1.4
358.15509	2.2
360.17148	3.6
368.13797	1.7
370.11816	1.5
370.15802	1.3
371.12714	2.2
372.13205	4.7
372.17490	0.9
373.14035	2.7
374.14874	5.3
374.18649	0.7
376.16571	1.5
384.17068	1.5
385.14520	2.1
386.14816	8.4
386.18567	0.7
387.15689	10.8
388.16608	5.9
395.18350	1.2
396.13513	1.2
398.14981	1.5
400.12540	1.0
401.13382	1.1
402.13971	1.6
402.18527	1.7
404.15921	4.6
405.16763	1.5
406.17505	5.1
412.16632	1.1
414.14172	5.8
415.15201	15.4
416.15930	18.8
417.16644	1.3
418.17703	1.9
419.18320	1.0
428.16086	2.4
429.16489	1.2
430.17688	5.5
431.18375	1.5
432.15491	2.3
433.16422	3.4
434.16901	5.1
440.16150	1.5
441.33582	1.3
442.19989	0.9
446.17090	5.9
447.17801	3.0
456.15659	3.2
457.16287	1.4
458.16965	6.0
474.16519	18.9
475.17334	11.5
476.18005	5.9
483.76752	1.5
486.37598	2.1
489.18820	1.7
490.19409	5.9
491.20248	1.3
492.21317	1.7
494.18985	1.5
506.19412	3.4
507.19812	1.4
508.20917	3.3
526.21783	1.0
554.30933	3.6
554.80981	3.6
557.23840	2.3
581.24023	6.5
599.24896	100.0
600.24872	4.0
617.25702	1.3
631.27905	5.2
648.44061	0.8
649.37396	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	649.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03860	1.7
55.01790	1.5
55.05402	4.3
55.05688	1.1
56.35012	0.6
57.03357	1.4
57.07000	0.9
61.02812	2.8
67.05381	8.6
67.05776	1.6
69.03306	5.3
69.06947	8.2
69.07362	1.8
69.91576	4.8
70.06485	1.3
71.04910	1.2
73.02827	0.8
76.77088	0.6
77.15483	0.7
79.05367	3.5
81.03294	3.4
81.06921	12.7
81.07453	1.8
82.07292	0.9
83.04849	2.4
83.08482	2.9
84.08050	0.7
85.02769	12.8
85.03310	1.6
85.06448	0.9
86.03126	1.2
87.04351	0.8
91.03852	1.7
91.05350	4.0
93.06907	6.3
94.06429	5.7
94.07094	1.5
95.04832	2.1
95.08468	11.0
95.09111	0.9
96.07983	2.4
96.08804	1.3
97.02749	4.7
97.06406	2.8
97.10065	1.5
98.21410	0.9
99.04340	0.8
103.05367	0.8
105.06886	5.6
107.04837	0.6
107.08445	6.6
109.02735	2.9
109.03436	0.9
109.06420	1.0
109.10001	5.3
111.07924	2.4
111.11638	0.9
112.07468	1.1
114.09158	36.3
114.09890	2.5
114.12795	6.8
115.09484	4.7
115.13033	1.6
117.03288	0.9
119.08575	4.2
120.07994	0.9
121.10127	4.5
122.06011	17.3
123.07946	1.7
123.11695	3.9
125.09505	0.9
127.03925	3.8
128.07022	1.5
130.08528	2.2
131.08408	2.2
133.10092	3.6
134.05840	2.6
135.04308	1.9
135.07985	0.9
135.11559	2.5
136.07553	9.0
137.05812	0.8
137.09467	1.0
137.13116	0.8
140.07036	5.3
143.08415	2.1
145.02682	2.2
145.04811	2.7
145.09947	2.7
146.05885	2.3
146.09557	1.0
147.04265	2.1
147.11511	2.7
148.07404	0.8
148.11066	1.5
149.05820	0.8
149.13130	2.0
151.03743	1.4
154.08553	1.6
157.10004	2.4
158.08124	6.1
159.08279	1.0
159.11583	2.5
160.09671	49.6
161.10043	6.3
161.13152	1.4
162.05348	1.8
162.08992	2.2
163.03899	12.0
163.11029	0.8
164.07076	10.8
166.08530	1.1
167.06935	0.9
171.11568	1.0
172.07356	1.5
173.13164	1.9
174.05338	0.9
175.03839	1.0
175.14722	1.7
177.05287	2.5
180.10097	1.7
181.10143	0.8
182.08012	1.4
182.09460	1.2
185.13165	1.0
187.14716	1.3
192.06287	0.8
199.14745	1.0
200.06923	3.0
201.16293	2.3
207.06343	1.5
208.09538	2.2
211.08551	2.5
211.14906	0.7
213.10176	1.0
214.08521	3.4
220.09842	1.1
221.10632	2.2
222.11406	3.3
223.08611	1.4
223.12204	0.8
224.07050	1.4
224.09264	1.4
225.10214	3.9
226.10980	0.9
227.08147	1.3
228.06442	1.1
234.11411	1.1
235.08498	2.1
235.12244	4.6
236.09290	1.2
236.12869	1.4
237.10202	6.3
237.13817	2.2
238.10898	2.6
239.08023	2.1
239.11667	2.6
241.09645	1.8
241.19553	1.0
242.08142	4.8
243.10916	1.1
247.12369	1.8
248.09358	10.3
249.10182	13.5
250.10950	9.3
251.11699	7.4
252.08826	0.9
252.12454	1.4
253.09671	6.5
253.13260	2.8
254.10289	1.2
255.11182	2.8
259.10751	1.2
259.20557	2.1
261.10080	1.6
262.10895	4.9
263.11765	68.5
264.09122	1.4
264.12402	6.2
265.09689	5.6
265.13278	12.0
266.10352	2.2
267.11255	9.2
268.12018	0.9
269.09116	1.2
271.10812	1.0
275.11835	1.2
277.09735	7.3
278.10474	1.5
279.11224	16.0
280.11954	2.7
281.09601	1.3
281.12817	5.6
283.10727	1.6
284.11475	1.0
285.12250	1.7
287.10355	1.6
290.10480	1.8
291.11249	15.1
291.26837	1.4
292.12082	4.7
293.09253	3.8
293.12784	5.9
294.10001	1.4
295.10791	11.9
296.11514	2.0
297.12332	3.9
302.10202	1.6
307.10690	1.8
308.11258	1.2
309.12292	100.0
309.27969	1.9
310.13101	6.5
310.28101	1.2
311.10229	2.7
311.13791	3.1
312.11096	0.9
313.11877	2.8
318.09753	1.7
318.13235	1.0
319.10410	3.9
321.08832	0.9
323.10208	1.9
323.13818	14.0
324.14349	1.0
325.11713	2.4
325.15427	1.7
327.13358	5.9
335.10260	2.3
336.10992	13.9
336.31000	0.9
337.11774	40.6
338.12558	5.4
339.13647	2.0
340.14014	0.9
341.11191	1.0
341.15112	0.9
344.11282	1.1
344.17502	1.2
351.13431	1.3
353.11179	4.6
354.12042	4.1
355.12842	43.8
356.13504	1.6
357.14728	1.1
358.15482	1.1
367.12839	5.9
368.13657	8.1
369.14413	69.0
370.15170	6.4
371.16135	2.2
371.26086	0.9
372.17081	2.0
373.13828	4.2
384.17130	1.5
385.13986	1.0
387.15457	65.8
388.16257	3.1
399.15729	1.0
400.16650	1.0
410.17245	1.1
412.16357	1.9
414.18286	3.2
416.15948	0.9
430.17786	3.3
432.19092	6.2
434.21088	1.4
440.16061	7.3
442.19687	4.8
450.20511	2.8
458.17102	14.0
459.18091	2.1
460.18848	2.5
466.23965	1.3
468.21735	2.6
469.33517	3.3
476.18149	49.0
477.18478	4.6
478.19675	14.2
486.37827	7.3
487.38492	6.2
490.19672	23.3
491.20840	2.5
494.19125	8.5
496.20734	78.6
497.21402	3.2
501.83337	0.9
508.20786	48.9
509.21661	2.4
510.22311	9.8
526.22150	2.4
528.23578	1.2
551.32758	0.9
555.26843	0.9
599.24689	8.2
617.26038	17.5
631.27795	2.0
631.39087	1.4
648.43121	8.8
649.28809	1.2
649.43634	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	649.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
54.30676	0.5
55.05500	1.6
57.03418	0.7
58.06574	0.6
61.02921	1.0
62.87898	0.5
65.03931	0.9
67.05491	3.3
69.03412	2.3
69.07053	2.1
70.06557	0.6
70.31891	2.3
71.04993	0.9
72.08140	1.3
79.05468	1.4
81.03399	2.0
81.07054	3.3
83.04980	0.8
83.08580	0.8
84.04491	0.6
85.02894	4.9
85.06541	1.0
86.09710	1.4
87.04424	0.5
91.05463	3.3
93.07045	3.1
93.56394	0.5
94.06563	1.5
95.04955	2.2
95.08601	2.1
97.02888	1.8
97.06493	1.0
97.07571	0.5
105.07035	1.8
106.06543	1.0
107.04922	0.5
107.08592	2.2
108.08083	1.4
109.02907	1.1
109.06539	0.6
109.10154	1.7
110.06019	1.1
111.08045	1.4
114.09185	3.0
114.12786	20.0
117.03373	0.7
119.04887	3.5
119.08568	1.6
120.08085	1.1
121.06484	0.9
121.10138	1.5
122.05998	2.9
123.04455	0.7
123.08024	0.8
127.03935	2.2
128.65617	0.6
131.08569	1.2
133.06500	0.6
133.10110	1.4
134.06047	2.0
134.09593	1.0
135.04420	1.2
135.08046	0.7
135.11700	0.8
136.07553	9.8
137.05940	3.0
137.09541	0.7
138.05482	4.2
139.07513	0.6
140.07043	1.8
142.08641	1.2
143.08540	0.7
145.02838	2.3
145.04974	1.5
145.10124	1.4
146.06035	2.6
147.04376	9.0
147.08110	0.7
147.11711	0.6
148.07539	2.2
149.02318	0.8
150.09109	0.9
151.03882	1.4
152.07077	2.1
152.10686	0.9
154.08649	0.9
156.06586	0.9
157.10094	0.7
160.03886	0.7
160.09703	3.2
161.05916	0.7
162.05530	1.6
162.09100	7.0
163.03880	5.9
163.07489	0.9
164.07050	11.8
166.08623	7.2
172.03937	2.6
173.13298	0.7
175.03891	1.5
175.07584	1.7
176.07051	4.0
177.05484	1.9
180.10167	6.3
190.05022	1.4
190.08649	1.0
191.05696	0.7
191.14275	0.7
192.06506	4.4
197.10744	1.2
198.09081	1.0
199.08742	0.7
201.10248	0.8
204.06523	3.4
206.08124	1.1
207.06474	3.6
208.06068	1.5
208.09671	12.2
208.11499	0.9
210.11522	1.1
211.08713	0.6
211.12332	1.7
211.16637	0.5
212.12975	1.0
213.10150	1.6
215.11858	0.8
220.06090	2.2
221.10808	0.8
222.07588	1.4
222.11682	0.5
223.12340	0.9
224.09425	1.6
225.10167	11.5
225.13722	0.9
226.10966	13.9
227.08157	1.4
227.11717	2.0
227.18317	0.5
227.21048	0.7
229.09760	0.8
235.12309	1.3
237.10216	3.1
237.13763	1.2
238.10919	5.0
239.11758	49.2
239.38670	0.5
240.12437	1.9
241.09688	2.5
242.08145	0.7
243.11342	2.4
245.09222	0.5
245.28458	0.5
246.07632	0.8
247.08795	0.8
247.12320	0.6
248.09447	1.7
249.10229	1.8
250.10956	1.3
251.11745	4.5
252.12517	1.3
253.09621	1.2
253.13342	4.2
255.11351	1.0
255.20483	1.1
257.08252	0.8
259.10794	3.9
261.12375	1.6
262.10901	1.6
263.09106	1.0
263.11789	9.5
263.14346	1.0
264.08823	0.8
264.12567	2.0
265.09540	3.3
265.13354	4.3
266.10492	2.0
267.11322	2.4
269.09189	1.9
269.12805	1.0
270.10117	0.7
271.11450	0.8
271.14447	3.3
272.15234	1.3
275.08151	3.3
277.09625	2.6
278.10693	1.2
279.11249	25.5
280.09314	0.6
280.11893	3.5
281.12796	4.1
282.13556	2.9
283.10776	2.4
283.14087	1.2
284.11542	3.4
285.12289	2.4
287.10233	11.4
287.13330	0.8
289.11954	1.5
289.15497	1.6
291.11288	3.8
293.12863	3.5
294.09985	0.8
295.10760	4.1
296.11639	1.0
297.12289	26.3
298.13092	48.8
299.13867	36.7
300.14343	0.7
303.13400	2.2
305.14816	0.6
307.10913	1.2
309.12286	14.0
310.12997	3.8
311.10229	2.1
311.13898	2.1
313.11841	1.7
317.09186	1.9
319.10260	1.1
319.13156	1.8
321.12360	2.7
323.13376	1.0
325.11639	3.3
326.12518	0.8
327.13412	6.0
329.11301	1.7
335.10272	3.9
336.10797	3.5
337.11771	21.5
338.12503	3.3
339.13318	15.6
340.14032	1.6
343.12723	0.9
347.12527	0.9
349.17493	1.5
353.11411	1.5
355.12833	6.1
356.13965	0.6
357.14542	0.9
358.15631	0.7
360.16757	1.0
361.13821	4.3
367.12766	7.4
369.14441	6.8
370.15302	1.3
371.15988	9.2
377.17014	0.7
385.13919	16.1
386.14658	6.5
387.15479	16.8
395.18134	2.1
410.17212	1.9
414.18152	0.7
418.17657	0.9
419.18365	1.1
420.19193	0.6
432.19409	0.8
436.18503	0.7
437.19543	0.8
438.20355	2.7
439.21066	1.6
442.19717	9.5
448.18567	1.2
450.20212	0.9
454.19638	1.1
460.18619	22.4
461.19287	0.8
464.18500	0.7
476.18271	7.8
478.19724	1.6
480.21188	0.9
481.18045	0.7
492.21317	2.5
494.19064	14.3
495.20297	0.8
496.20639	2.4
508.20795	6.3
512.20270	2.3
526.21802	100.0
527.22107	2.7
581.23944	1.0
581.35388	0.9
587.24890	0.6
599.24817	7.6
617.26013	12.0
631.27698	1.0
648.43561	0.7
649.28705	8.5
649.38800	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	648.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01860	9.9
55.05501	7.9
57.03429	3.5
57.07061	3.8
59.04974	1.1
61.02915	5.7
67.05490	10.2
68.05041	0.8
69.03416	19.7
69.07057	16.6
69.75659	0.7
69.87106	4.2
70.06573	2.8
71.01338	0.8
71.04976	4.6
71.08617	1.7
72.08154	2.6
73.02901	3.2
79.05469	8.2
81.03407	8.6
81.07040	40.5
81.53293	0.7
83.04965	2.4
83.08601	6.5
84.08121	1.7
85.02888	46.4
85.06528	26.3
86.06774	0.7
86.09210	1.4
86.09689	10.0
87.04458	2.8
91.03944	2.9
91.05457	4.1
93.07027	14.5
94.06586	1.2
95.04961	6.1
95.08591	27.2
96.05267	0.9
96.08130	1.6
97.02879	16.8
97.06515	4.3
97.10158	3.0
99.04437	3.2
99.08062	5.4
100.11235	1.7
101.02299	0.7
103.05400	0.7
105.07018	7.3
107.04922	1.2
107.08572	15.5
109.02860	7.6
109.06494	3.3
109.10133	16.9
111.08059	77.5
111.11729	2.4
114.09145	24.1
114.12777	6.1
115.03942	1.4
115.13150	1.3
117.03372	2.7
117.07043	0.9
119.04972	1.4
119.08559	5.8
121.06472	1.6
121.10132	10.4
122.05995	1.6
123.04457	0.9
123.08077	1.2
123.11679	11.9
124.07580	1.7
125.09614	8.0
127.03883	11.1
127.07581	0.9
127.11189	1.7
128.07042	0.8
128.10712	7.4
129.06969	1.2
130.08633	2.3
131.08521	2.2
133.10110	4.4
134.09636	0.9
135.04385	3.3
135.11658	6.6
136.06210	2.0
136.07596	1.6
137.05954	3.7
137.09650	0.9
137.13200	5.3
139.11139	3.9
140.07062	2.8
143.08575	1.3
145.02826	3.6
145.04936	6.6
145.10127	2.3
146.06032	1.6
147.04385	4.7
147.11633	3.8
148.04720	1.0
148.07559	1.0
148.11195	2.2
149.09622	1.2
149.13237	12.1
151.03886	0.8
151.07547	1.2
151.14774	1.2
153.09088	0.8
153.12762	1.4
156.10199	3.8
157.10138	1.5
158.08134	2.6
159.11661	2.7
160.09671	40.1
161.09831	1.8
161.13275	2.7
163.03886	19.6
163.05986	1.3
163.07634	1.0
163.14845	3.3
164.07089	2.9
165.12782	1.1
166.08582	1.9
167.07043	2.5
167.14325	3.2
172.03928	2.1
173.13290	1.9
174.11269	1.2
175.11176	1.1
175.14801	1.5
177.05394	4.2
177.16344	1.7
181.04935	1.1
187.07480	1.0
187.14848	1.1
189.12691	0.8
189.16338	1.3
191.17943	0.8
199.09537	0.9
201.16487	1.0
204.06487	1.7
206.08142	1.1
207.06512	1.8
217.19603	1.3
225.10405	0.9
237.10454	1.2
239.11761	1.6
243.11238	3.6
244.11670	2.2
249.10211	1.7
250.10947	1.5
251.11835	1.7
253.13414	0.9
259.20578	0.9
263.11728	7.3
265.09781	1.4
265.13348	3.1
267.11288	2.1
273.25714	1.2
277.09689	1.9
279.11111	5.8
285.12341	2.4
286.12729	1.5
291.11255	1.9
291.26785	6.7
293.12982	0.9
295.10806	3.9
297.12335	2.9
303.13403	4.1
304.13669	2.8
309.12238	9.4
309.27805	38.1
310.13092	2.2
310.28323	1.1
311.10620	0.9
311.13986	2.8
313.11923	0.9
315.13300	0.8
319.10312	0.9
322.15527	0.9
323.14014	2.2
327.28818	4.0
336.10977	2.2
337.11774	10.4
338.12582	2.7
339.13358	1.6
351.28802	0.8
353.11322	1.2
355.12744	3.9
368.13547	1.8
369.14435	8.7
370.15103	2.4
371.15930	0.9
372.12918	0.9
383.11432	1.2
385.13889	1.1
387.15469	5.2
400.16565	0.7
434.20822	3.7
458.17212	1.7
459.17453	1.1
460.18753	3.0
469.33246	1.3
471.33023	4.7
478.19818	3.0
486.37833	41.0
492.21457	5.8
494.19559	1.7
508.20605	3.3
510.22375	2.6
525.20935	1.0
526.21698	1.6
554.48108	0.7
599.24744	5.5
616.23468	0.9
617.26068	2.8
630.41364	0.8
647.79291	0.8
648.43060	100.0
649.27802	0.9
649.41052	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	648.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01865	2.1
55.05501	8.3
57.03432	2.1
57.07064	2.3
58.06584	0.5
59.04995	0.3
61.02927	2.3
64.77864	0.3
67.05186	0.3
67.05497	4.3
68.05002	0.5
69.03417	6.5
69.07059	10.7
70.06558	0.5
71.04982	1.7
71.08633	0.4
73.02889	0.9
79.05489	3.7
80.05020	0.5
81.03398	2.9
81.05776	1.2
81.07043	16.8
82.06586	1.7
83.04958	3.5
83.08602	6.4
83.27739	0.4
85.02892	17.5
85.06516	1.4
85.10181	0.3
86.09689	0.5
87.04446	1.2
89.72471	0.4
91.03919	1.1
91.05457	2.1
93.07034	5.7
94.06561	1.6
95.04942	0.8
95.08590	13.4
96.08127	3.2
97.02882	5.9
97.06509	1.5
97.10155	3.2
98.20644	0.8
99.04432	0.9
99.08076	0.6
100.07604	0.7
101.02406	0.4
105.07012	3.2
107.08567	6.0
109.02876	2.5
109.06479	0.8
109.10143	8.1
111.08064	2.1
111.11701	1.4
112.07578	1.9
114.09150	73.7
114.12777	6.0
115.09527	0.4
115.13145	1.7
117.03252	0.4
119.04961	0.3
119.08573	3.0
121.10136	4.9
123.11680	5.3
125.09595	1.0
127.03927	3.4
128.07057	3.0
130.08638	0.7
133.10100	1.9
135.11670	2.9
137.09583	0.4
137.13234	3.1
139.11053	0.8
140.07115	0.6
142.08644	0.8
145.02849	0.5
145.04918	1.0
147.04390	0.6
147.11652	1.7
148.11180	2.0
149.13220	2.8
151.14764	0.5
153.12758	0.7
155.08244	0.3
158.08102	10.3
160.09666	100.0
161.10069	1.0
161.13263	2.1
163.03844	1.8
163.14783	1.1
165.12801	0.5
167.06871	0.4
167.14328	0.4
175.14847	0.9
177.05473	1.1
177.16420	0.8
189.16292	0.5
207.06512	0.6
217.19502	0.7
263.11838	0.5
273.25690	0.5
274.43628	0.3
291.26694	1.7
309.12390	1.1
309.27805	9.0
369.14587	0.7
387.15570	0.7
442.19687	0.5
468.36670	0.4
476.18216	0.6
486.37839	26.3
487.38031	0.4
490.19550	0.5
496.20691	0.5
508.20724	1.6
630.41559	0.8
648.43091	79.8
649.43427	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	648.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01846	1.5
55.05262	0.6
55.05501	7.7
57.03428	1.8
57.07069	1.9
59.04973	0.5
61.02911	2.4
65.03922	0.4
67.05493	5.1
68.05014	0.8
69.03417	7.0
69.07058	10.1
70.06567	0.4
71.04965	1.3
71.08613	0.7
71.23946	0.5
71.24294	0.7
71.42590	0.4
73.02901	0.7
79.05484	2.8
80.04998	0.6
81.03407	3.4
81.05763	1.7
81.07043	15.0
82.06555	1.6
82.07366	0.5
83.04958	2.6
83.08607	5.4
85.02891	16.3
85.06517	1.5
87.04448	1.2
91.03909	0.8
91.05458	2.5
93.07032	5.8
94.06549	1.1
94.07357	0.4
95.04925	0.5
95.08596	11.4
96.08107	3.6
97.02871	6.3
97.06499	0.9
97.10139	2.6
99.04431	1.6
99.08090	0.6
100.07571	0.6
105.07008	3.1
107.08578	5.8
109.02838	2.5
109.06506	0.5
109.10146	7.4
111.08076	1.1
111.11717	1.3
112.07564	2.2
114.09148	80.2
114.12781	2.6
114.49075	0.4
115.03934	0.5
115.09480	1.2
115.13146	0.6
119.08559	1.6
121.10112	4.1
122.06033	0.4
123.11692	4.5
125.09621	0.7
127.03896	3.4
128.07030	2.7
130.08617	1.5
133.10123	1.5
135.11665	2.7
136.07562	0.6
137.05916	2.0
137.09560	0.5
137.13222	2.7
139.11156	0.6
140.07022	0.8
142.08638	0.6
142.80766	0.4
145.02831	0.6
145.04950	0.9
147.04405	1.5
147.11638	2.4
148.11165	5.8
149.13231	1.8
151.14825	0.6
158.07178	0.3
158.08105	11.1
160.09662	100.0
161.10008	1.6
161.13275	1.4
163.03868	1.4
163.14795	1.1
167.14291	0.3
175.07614	0.4
175.14749	0.6
177.05470	1.1
182.91330	0.4
191.17953	0.5
204.06529	0.4
217.19473	0.9
235.20544	0.8
239.78734	0.4
243.11343	0.4
244.11543	0.5
265.09824	0.4
273.25583	0.5
279.11404	0.8
285.12265	0.7
291.26697	2.0
303.13388	0.7
309.12259	0.6
309.27753	3.9
337.11560	0.8
339.13181	0.8
369.14563	0.7
407.97433	0.4
460.18814	0.7
486.37790	25.0
487.38116	0.7
508.20670	0.8
510.23132	0.5
630.41608	0.6
648.43036	81.8
649.43561	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.05501	5.3
55.77589	0.8
57.03431	3.9
57.07058	2.0
58.04196	0.8
58.06570	1.0
61.02928	6.4
67.05490	6.7
69.03421	10.9
69.07059	9.0
70.06566	1.1
71.01318	1.0
71.04973	2.6
72.08131	1.1
73.02902	2.3
75.04499	0.8
79.05486	6.7
81.03400	6.3
81.07045	26.4
83.08598	4.8
83.39709	0.8
85.02894	78.4
87.00756	0.8
87.04451	1.8
91.03930	3.5
91.05457	4.8
93.07040	11.8
95.04947	1.8
95.08588	21.8
97.02879	21.3
97.06490	1.7
97.10141	2.9
99.04443	2.8
99.11862	0.9
100.11233	10.2
103.03893	1.8
105.01876	0.9
105.07016	16.2
107.04972	0.9
107.08578	20.1
108.72501	0.8
109.02857	7.6
109.06601	0.9
109.10139	21.0
111.11703	1.8
114.09091	1.0
114.12034	1.1
114.12791	11.8
117.07009	1.8
119.08564	29.7
121.10128	20.1
123.08040	1.2
123.11686	8.1
125.09606	8.2
127.03900	20.7
130.58830	0.9
131.08583	4.4
133.08856	6.2
133.10101	16.8
134.09650	9.6
135.10736	1.2
135.11682	12.8
136.06177	4.0
137.09555	1.3
137.13211	3.7
145.03069	0.8
145.04945	35.6
145.10115	9.4
147.11655	19.2
148.11183	82.7
149.11568	1.7
149.13255	8.8
151.11136	1.9
157.10135	1.8
159.11678	10.2
161.13225	14.2
163.05998	17.2
163.07307	1.6
163.14796	9.2
165.12701	1.1
171.11671	1.1
173.13239	7.7
175.14806	12.5
177.05386	1.7
177.16357	27.9
179.14261	2.5
185.13229	1.1
187.14806	8.4
189.16348	18.5
190.17146	4.7
191.17944	4.7
199.14874	1.1
201.16345	10.1
203.17929	14.7
204.10175	2.8
213.19576	2.2
215.17935	6.8
216.10153	1.6
216.18532	1.1
221.19017	2.5
229.19467	3.7
233.12820	1.7
241.19121	3.1
243.20941	1.1
247.18048	5.6
252.94916	0.9
255.20375	0.9
271.24164	100.0
272.24454	2.3
275.17477	7.1
289.09167	1.8
289.25244	20.2
325.11243	9.4
346.21072	2.3
374.20609	2.6
405.31616	0.9
408.19153	2.5
433.29364	1.1
606.02179	1.1
648.37811	6.2
649.38672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3743
Annotation	Paliurine G
Peak:m/z	Relative Intensity
50.43864	0.1
54.29804	0.1
55.01848	0.1
55.05479	0.2
58.06583	0.1
67.05466	0.4
69.03392	0.3
69.07034	0.3
70.06562	0.2
71.07320	0.1
71.79876	0.1
72.44716	0.1
77.03881	0.1
79.05465	0.4
81.03394	0.2
81.07039	0.6
81.65608	0.1
82.76178	0.1
83.08598	0.2
85.02877	0.4
86.09673	0.5
91.05447	1.1
93.07018	0.3
94.06522	0.1
95.04969	0.2
95.08591	0.5
97.02876	0.1
103.05424	0.2
104.06210	0.2
105.07014	2.5
105.30331	0.1
107.08557	0.3
109.02829	0.2
109.06530	0.1
109.10161	0.5
114.09096	0.1
114.12766	0.4
117.06989	0.2
118.06499	0.2
119.08549	0.4
120.08084	0.1
121.06547	0.1
121.10114	0.4
122.05955	0.2
122.09634	0.2
123.06390	0.1
123.11671	0.2
127.03918	0.1
131.04922	0.2
132.08060	0.5
133.08850	7.4
133.10016	0.4
134.05957	0.2
135.11670	0.2
136.06129	0.8
136.07153	0.1
136.07642	0.1
137.05942	0.2
137.11975	0.1
138.12747	0.3
140.07043	0.1
144.08064	0.2
145.02867	0.2
145.04927	0.1
145.10106	0.2
146.09616	0.2
147.04338	0.3
147.11684	0.2
148.11180	100.0
149.11526	2.0
149.12820	0.1
149.13289	0.2
158.11723	0.1
159.11679	0.2
160.09610	0.1
161.13194	0.2
163.03931	0.1
164.07161	0.1
165.07838	0.3
166.08646	0.2
170.54840	0.1
172.07574	0.2
173.13155	0.1
175.07524	0.2
177.05437	0.5
180.10150	0.3
181.13364	0.2
192.10188	0.5
201.16257	0.1
203.17946	0.2
204.10164	1.7
208.09747	0.1
216.10129	0.7
225.10344	0.1
226.10582	0.1
233.12866	1.0
237.10098	0.2
238.10860	0.1
239.11627	0.2
240.12071	0.1
247.18030	6.0
248.18277	0.2
249.10039	0.2
250.10703	0.1
251.11702	0.4
252.12138	0.3
263.11743	0.5
264.12189	0.4
265.09796	0.2
265.13284	0.7
266.10501	0.1
266.13699	0.5
267.11200	0.1
271.24304	0.3
275.17499	11.0
275.50394	0.1
276.17877	0.2
279.11240	1.2
280.11536	1.1
283.10834	0.1
283.13861	0.1
293.12564	0.1
294.13113	0.2
297.12219	0.1
298.13007	0.1
305.18518	0.1
309.12381	0.2
310.13092	0.2
311.13684	0.5
312.14090	0.5
321.12430	0.1
322.12701	0.2
323.13821	0.6
324.14276	1.0
325.11786	0.1
325.15149	0.5
326.15826	0.4
344.19806	0.1
346.21207	1.2
351.13449	0.2
352.13660	0.5
353.14828	0.6
354.15176	0.8
373.38226	0.1
374.20676	2.6
383.15887	0.6
384.16223	0.8
385.17572	0.6
386.17834	0.9
447.20462	0.1
457.19498	0.1
458.01804	0.1
465.22250	0.2
474.20026	0.3
475.20389	1.1
492.21738	0.1
493.21637	0.4
494.22278	0.1
506.23053	0.5
507.23187	2.3
524.23883	0.1
525.24213	0.7
616.28479	1.0
648.37561	6.2
649.38025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
57.07078	0.6
60.04452	0.4
62.56889	0.4
65.03929	0.4
67.05504	3.2
69.07063	4.0
69.78732	0.4
79.05481	4.0
81.03413	1.2
81.07043	4.5
83.04986	0.5
83.08607	3.8
91.05460	4.4
93.07040	4.5
94.75900	0.5
95.04941	1.9
95.08597	5.0
97.06522	2.8
97.10162	0.8
105.03365	0.6
105.07015	7.0
107.04930	0.4
107.08588	7.4
109.06498	1.4
109.10138	5.1
111.08052	1.1
117.07011	2.7
119.08559	8.4
121.06467	0.6
121.10124	7.9
123.08042	1.7
123.11660	0.6
125.09612	0.5
128.06215	0.4
129.07001	2.1
131.08543	5.1
133.06471	3.5
133.10110	7.0
135.08044	1.6
135.11688	3.4
137.09589	1.0
141.06979	1.5
142.07776	1.2
143.08513	4.4
144.09294	0.5
145.08981	0.6
145.10100	8.2
147.08047	2.5
147.11668	4.7
149.09590	1.4
149.13257	0.9
151.07570	0.7
151.11168	0.6
155.08449	2.4
156.09340	1.7
157.10101	7.1
159.08066	0.6
159.11668	5.0
161.09636	1.6
161.13220	4.7
163.11072	0.5
165.07040	0.5
165.09138	0.8
167.08559	1.4
169.10101	5.5
170.10887	3.5
171.11678	8.2
172.12408	0.5
173.09654	1.1
173.13254	5.9
175.11192	1.1
175.14816	1.5
177.12697	0.9
179.08554	1.0
180.09406	0.5
180.35878	0.5
181.10089	3.9
182.10735	0.5
183.11653	5.1
184.12415	0.6
185.09669	0.7
185.13231	19.6
187.11163	1.1
187.14795	6.4
189.12715	0.9
189.16345	1.0
191.08719	0.5
193.10147	1.8
193.12267	0.5
194.10889	0.6
195.11661	4.3
196.12433	0.8
197.13254	4.6
199.11160	0.6
199.14769	3.7
201.12740	0.9
201.16414	1.6
203.14319	1.1
205.10234	0.5
205.12177	0.6
206.10921	0.6
207.11664	2.5
207.13652	1.0
208.12352	1.1
209.09554	0.4
209.13199	3.6
210.14066	0.5
211.11127	0.4
211.14798	3.2
213.12741	2.3
213.16356	2.3
215.14308	0.7
215.17989	0.5
219.11708	1.6
219.13518	0.7
220.12434	0.9
221.13205	2.9
222.13963	1.0
223.11157	0.5
223.14734	2.9
225.16328	2.6
227.14293	0.9
227.17894	0.8
229.15790	0.5
231.13757	0.6
233.13109	2.2
234.13963	0.8
235.14796	2.8
237.12787	0.5
237.16318	7.8
239.14240	0.6
239.17906	3.8
241.12221	1.1
241.15904	1.1
241.19582	0.7
245.13147	0.9
245.15395	0.8
246.13815	0.6
247.14809	2.2
249.16496	2.3
251.17941	3.1
253.15749	0.6
253.19501	2.1
257.13138	0.7
259.14722	0.8
260.15619	0.7
261.16333	2.0
262.17035	0.4
263.17938	3.0
265.15924	1.1
265.19583	1.0
267.13617	0.8
267.21133	0.5
268.16162	0.6
273.16290	0.8
275.17932	1.8
276.18488	0.6
277.19476	2.2
279.17551	0.8
281.15424	0.6
281.18695	0.5
283.17062	2.2
285.18698	0.6
287.17972	1.0
289.19406	2.9
291.17825	0.6
291.21054	2.3
292.21585	0.4
293.18930	1.1
297.18442	1.3
301.19418	1.5
303.21106	1.8
305.19095	0.9
309.18390	1.6
313.19467	0.6
316.21915	0.5
317.19193	0.9
317.22672	1.3
319.20389	2.3
321.18582	0.6
323.19919	0.9
327.21133	0.7
329.22449	0.9
331.20474	0.7
335.19965	1.0
337.21661	1.7
345.22113	0.8
349.21555	1.4
359.23245	0.9
359.27316	7.7
361.28879	1.6
362.22525	0.4
363.19174	0.6
363.23083	0.6
369.25711	2.5
377.21008	0.6
377.28366	1.8
383.21933	0.9
387.26755	9.5
391.22363	2.0
405.27850	55.4
406.28256	2.1
415.26242	3.6
419.29395	5.2
423.29001	2.6
433.27341	100.0
434.27628	4.3
447.28720	0.8
451.28195	0.8
465.29968	10.0
493.29541	1.1
562.38440	0.6
647.37799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18295	0.8
55.05501	1.6
64.98139	0.9
65.69363	0.9
67.05482	2.5
69.03410	1.6
69.07060	3.1
69.61441	7.8
71.04993	1.5
73.02914	0.8
79.05466	2.1
81.07062	4.0
82.47633	0.8
85.02892	1.8
91.05454	3.2
93.07021	4.0
94.06555	2.3
95.04925	1.4
95.08582	4.0
97.02886	0.9
97.06525	2.1
105.06996	4.2
106.06506	1.4
107.08578	3.8
108.08120	1.1
109.02838	1.2
109.06487	1.0
109.10138	3.5
114.12784	2.8
117.03350	1.0
117.07046	0.9
119.08577	2.1
121.10124	2.9
122.06010	4.8
123.08037	1.2
123.11636	1.4
125.09624	1.3
127.03880	1.9
127.11137	0.8
133.10031	1.8
134.06013	1.6
135.07990	1.1
135.11690	1.1
136.06148	1.7
136.07542	4.8
137.05951	1.0
140.07028	8.1
143.08514	1.1
145.02847	2.4
145.10104	2.7
146.06061	4.8
147.04343	1.6
147.11646	1.2
148.07523	1.7
148.11166	7.7
152.07030	1.5
157.10071	1.0
159.11703	2.0
160.07587	0.8
161.13245	1.3
164.06955	1.2
166.08623	3.6
171.11667	1.3
172.03908	5.3
173.50914	0.9
174.05505	4.0
175.14720	1.0
176.07013	5.6
177.05447	4.5
180.10167	12.6
189.16382	2.6
204.06520	6.9
206.08043	0.9
207.17374	1.3
208.09718	2.8
210.11537	1.7
211.12337	1.4
217.15901	1.4
221.10709	1.8
223.08502	0.9
223.12276	2.8
224.09366	1.2
224.12952	1.6
225.10194	3.6
227.11795	1.9
235.12274	2.5
236.12991	0.9
237.10165	10.0
238.10907	7.2
239.11804	11.0
247.12483	0.9
248.09224	1.9
249.10249	6.2
250.10954	2.8
251.11713	13.1
252.12399	1.5
253.13223	1.8
255.11192	2.3
259.09622	1.0
259.12952	1.0
261.12561	1.3
262.11038	1.4
263.11749	19.9
264.08743	0.8
264.12460	3.7
265.09723	6.6
265.13336	38.3
265.16199	1.8
266.10498	1.4
266.13824	1.6
267.11258	5.5
269.12900	1.3
275.11896	1.1
277.09613	1.5
277.13391	2.3
277.16452	1.7
278.10516	3.3
279.11227	100.0
280.04208	0.8
280.11902	5.1
281.12756	3.7
283.14288	1.5
285.12430	2.0
285.15659	1.7
287.13925	1.6
291.11118	6.0
292.11957	2.6
293.12839	7.4
297.12280	5.4
297.15659	1.8
298.12946	2.0
299.14127	1.2
301.15344	3.1
303.16943	3.1
309.12161	2.7
310.13287	2.6
311.13840	49.5
312.14435	5.5
313.11749	3.1
313.15256	1.4
316.54935	0.8
319.10718	3.0
321.12274	13.8
323.13837	34.5
324.14642	20.6
325.15341	6.4
329.14810	0.9
331.12885	1.9
337.11853	1.4
338.12527	1.8
339.13486	4.2
345.14328	2.8
351.13354	33.3
352.14081	11.2
353.14890	68.9
354.15353	2.2
355.16034	1.0
383.15955	22.5
384.16684	3.4
385.17499	32.1
386.18283	1.4
387.15494	0.9
400.16360	4.3
401.17007	0.9
406.21378	0.9
432.19101	2.3
437.34122	2.9
446.20972	1.1
452.21820	5.8
456.19012	4.6
464.21707	12.2
474.20160	71.1
475.20605	5.8
478.19647	2.4
479.20462	1.9
480.21234	1.9
492.21222	40.2
493.21838	5.4
494.22519	2.3
506.22705	2.4
507.24118	1.0
510.22296	4.5
524.23883	34.9
525.24097	3.2
594.56726	0.8
597.27026	1.4
615.28070	59.9
616.28223	3.0
629.36078	2.3
645.08582	0.9
647.30194	5.6
654.38397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01857	6.4
55.05227	2.0
55.05501	36.8
57.03430	17.2
57.07074	3.5
57.36213	1.4
59.04986	2.1
65.03929	2.9
67.05492	73.7
68.83752	1.4
69.03412	6.0
69.07056	23.8
70.98181	3.9
71.04989	8.5
71.08624	17.8
79.05479	51.0
81.03406	95.5
81.07042	74.3
82.07374	1.3
83.04959	14.6
83.08604	40.5
85.06510	4.0
85.10152	2.1
91.05462	51.2
93.07025	56.6
95.04381	3.3
95.04954	39.7
95.08594	31.4
97.02876	3.0
97.06519	9.6
97.10150	27.9
97.10712	2.7
99.08080	13.9
105.04462	1.4
105.07010	35.0
107.04954	11.4
107.08578	37.4
109.06490	9.4
109.10142	14.3
111.04438	2.2
111.08073	11.4
115.05473	2.4
117.06992	17.0
119.08563	30.6
121.06490	9.2
121.10132	20.3
123.08026	6.7
123.11678	5.7
125.09615	24.5
128.00449	1.3
128.06194	2.4
129.06978	18.0
131.04840	2.0
131.08543	23.5
133.06506	4.1
133.10086	18.8
135.08028	4.6
135.11667	9.7
137.09546	3.5
139.11153	3.1
141.06961	3.0
142.07765	4.9
143.08504	6.8
145.06448	2.6
145.10118	10.0
147.08046	5.3
147.11639	17.7
149.09613	9.2
149.13197	11.2
151.11163	14.2
153.09065	3.9
155.08569	2.0
157.10092	13.9
159.08023	1.4
159.11699	6.7
161.09566	2.6
161.13211	9.5
163.11185	9.3
163.14828	2.2
165.12743	4.3
167.08482	1.7
171.11668	3.3
173.13190	3.5
175.11163	10.8
177.12718	5.0
179.14328	3.1
181.10112	1.5
183.11678	1.6
185.13217	3.5
187.14795	1.7
189.11212	14.7
193.12201	33.7
194.12556	1.7
195.13797	5.3
197.13289	1.7
197.15378	2.0
199.14909	2.3
203.14339	2.9
211.13257	5.2
215.14249	1.7
217.15834	3.0
227.12730	38.5
229.14252	3.1
241.19437	2.7
245.08620	1.6
245.13774	7.2
249.14822	5.0
259.20599	3.2
267.15863	86.9
268.16251	3.2
269.17438	29.7
275.20050	4.3
277.21582	24.1
283.20715	1.5
293.21191	1.7
295.22919	1.7
299.23431	1.8
301.21637	1.9
303.22812	1.5
317.24799	2.8
351.25388	27.0
363.21786	1.6
365.23068	3.6
369.24283	5.6
371.25677	2.5
387.25351	4.1
419.24243	5.1
421.25793	2.0
435.27362	2.5
437.24963	12.0
443.27844	14.0
445.29379	6.1
447.27362	11.3
451.31985	3.9
461.28912	100.0
462.29358	6.2
469.33197	3.9
472.94159	1.6
475.30548	2.5
493.31519	16.2
511.32248	2.5
525.35553	2.2
543.36749	66.0
544.37000	5.6
561.37885	17.4
593.40375	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	646.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01851	0.9
55.05259	0.8
55.05501	8.0
55.63466	0.4
57.03432	2.4
57.07051	1.2
58.06586	2.8
59.04984	1.2
61.02907	1.9
65.03907	0.7
67.05489	4.2
68.05007	1.1
69.03420	6.3
69.05798	0.7
69.07055	14.3
70.06589	2.4
70.22409	2.4
71.04973	1.6
72.08141	2.0
73.02888	0.6
79.05478	3.9
80.04985	0.7
81.03407	3.4
81.05779	0.8
81.07043	16.4
82.06568	1.3
83.04967	9.9
83.08591	2.3
84.08108	1.5
85.02896	10.3
85.06519	0.9
85.08902	3.0
86.09698	2.1
87.04440	0.7
87.05597	0.6
91.05487	3.0
93.07030	11.9
94.06555	1.1
95.04940	1.7
95.08595	15.0
96.08115	3.3
97.02869	4.3
97.06512	2.0
97.10155	1.3
99.04422	1.3
100.07590	0.7
102.12680	0.5
103.05464	0.5
105.07030	3.6
107.04971	0.9
107.08585	8.2
109.02853	2.3
109.06521	1.0
109.10136	7.5
111.04467	0.6
111.08068	2.3
111.11683	2.9
112.07589	3.2
113.09634	0.6
114.09153	62.9
114.12787	100.0
114.62567	0.5
115.13161	0.7
117.06991	0.7
119.08564	3.5
120.08154	0.5
121.02858	3.1
121.06472	1.0
121.10114	6.4
122.05996	0.9
123.08062	0.9
123.11703	5.9
125.05989	1.0
125.09686	0.5
127.03906	3.6
128.07068	2.3
130.08633	6.0
131.04901	1.1
131.08517	1.7
133.10117	1.5
135.04381	0.9
135.08025	0.4
135.11676	6.2
137.05980	2.7
137.09570	0.5
137.13225	4.4
139.03848	0.7
139.07552	0.9
139.11157	4.0
140.07045	1.6
141.06967	0.5
142.08600	0.5
145.02776	0.5
145.10103	1.4
147.04381	2.3
147.11697	1.6
149.05975	1.0
149.13235	4.0
151.03816	0.6
151.14798	0.8
153.12689	0.9
157.10130	0.7
157.12260	0.7
158.08113	9.6
159.08064	0.6
159.11676	1.3
160.09668	82.0
161.10030	0.6
161.13260	1.1
163.03889	1.9
163.07523	1.0
163.11218	0.8
165.12764	0.7
167.07086	0.8
168.07521	0.5
173.13281	0.8
174.11298	0.6
175.03882	0.6
175.07547	0.7
175.14803	1.2
177.05438	2.8
177.12744	1.0
184.07324	0.5
187.11166	1.1
189.16377	1.0
204.10199	3.7
205.08669	0.5
205.19536	0.6
207.06502	0.7
215.17871	0.6
215.56905	0.5
216.10170	1.0
217.12204	0.5
227.21207	1.3
233.13062	2.1
233.15057	0.4
243.11288	1.8
249.22154	0.6
251.20143	0.7
255.20618	6.1
285.12317	2.1
289.25253	3.4
303.13385	1.5
307.09509	0.5
307.26215	4.9
325.27414	2.0
341.12848	0.5
346.21136	2.3
374.20670	4.2
392.21533	2.6
461.16025	0.6
466.35422	0.7
484.36255	18.7
615.24707	0.7
628.40619	10.1
646.41522	62.0
647.41888	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	646.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03932	1.8
55.01862	0.9
55.05497	2.1
57.03430	0.6
61.02906	0.7
61.61357	0.6
65.03925	1.4
67.05475	0.7
69.03407	1.7
70.06583	1.7
71.04993	0.8
71.79388	0.6
72.08143	1.1
73.02915	0.5
77.03529	0.5
77.03893	3.2
79.05479	1.4
81.03403	2.5
81.07034	1.4
83.04972	0.8
84.08129	1.9
85.02894	2.2
86.09691	4.6
89.03893	3.3
89.30157	0.5
91.05470	17.3
93.07037	2.8
94.06594	0.8
95.04955	3.5
95.08616	0.7
96.08109	0.9
97.02893	1.1
99.04456	1.1
103.05482	3.1
105.03372	4.4
105.07004	1.9
107.04924	3.2
109.02858	2.4
109.06500	1.1
110.06055	0.7
112.07603	2.5
114.09132	3.4
115.05444	0.9
117.03346	4.2
117.07022	1.2
119.04930	22.5
120.08119	0.6
121.06506	5.8
122.03636	2.3
123.04446	0.8
124.03899	1.1
125.05961	0.6
127.03888	1.5
130.04106	0.7
130.08629	38.7
131.04932	1.3
133.02838	100.0
134.03140	0.8
135.04419	4.3
136.03909	1.2
137.05959	26.5
138.06328	0.8
140.07018	1.4
142.03255	0.6
142.08678	0.7
143.04951	0.7
145.02853	7.0
145.06470	1.2
146.03603	1.0
146.05997	1.3
147.04398	19.0
149.05965	37.2
150.06749	13.7
151.03856	1.3
151.07498	1.2
157.03972	1.9
158.03630	1.3
160.01544	1.5
160.05165	2.3
160.09666	0.8
161.05968	10.0
162.03128	0.9
162.06737	2.4
163.03920	5.1
163.07518	0.8
165.05478	12.2
165.06828	0.6
167.07030	1.1
173.05968	3.6
174.03152	1.3
175.03894	52.3
175.14842	0.7
176.04280	0.6
177.05486	17.2
177.06973	2.1
179.05594	0.6
179.07002	3.1
180.07762	0.8
181.04866	0.7
186.03133	1.5
189.05449	0.8
189.06995	0.6
190.07756	0.8
191.08182	2.5
194.07300	0.9
201.05452	33.1
203.06929	0.9
205.06473	6.5
206.07179	0.6
207.06480	1.2
212.13339	0.8
213.05502	1.4
217.06555	0.6
219.08032	1.5
221.05946	2.3
222.06738	3.2
231.06451	7.6
233.05971	12.3
234.06650	2.2
235.07567	0.7
237.09131	1.5
245.05934	0.7
247.07523	2.5
249.05431	4.5
249.09152	1.1
250.06206	3.4
251.07089	0.6
261.05472	6.2
262.06210	2.2
263.07068	0.6
264.07806	2.4
265.08536	8.2
266.09198	0.9
268.08090	0.8
269.17435	0.6
273.05472	0.7
275.06961	1.5
276.07758	1.0
277.04922	2.6
277.08585	2.5
278.05746	1.0
279.06546	1.0
279.10138	1.0
285.17010	1.0
286.17276	1.2
290.05655	2.0
292.07227	5.6
292.13672	0.7
293.08041	10.0
294.08609	1.3
297.11047	1.5
303.13425	1.2
305.08038	3.8
307.09637	3.5
309.11145	0.8
310.08008	0.6
325.10678	86.5
326.10898	1.8
337.10645	11.8
355.11746	19.0
434.16541	1.0
466.16684	1.5
474.16434	1.0
487.16095	2.5
615.24518	0.8
616.24060	3.2
646.27325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74450	0.5
55.05503	0.9
67.05489	1.9
69.07053	2.3
69.70954	3.4
72.50285	0.4
76.35670	0.5
79.05482	0.8
81.07046	2.1
83.04966	0.8
85.02897	1.3
91.05451	0.7
91.46727	0.4
93.07040	2.0
94.06567	2.1
95.04995	0.8
95.08595	1.4
105.07025	1.3
107.08582	1.8
108.08144	0.5
108.08883	0.9
109.03542	0.4
109.10140	2.9
110.10509	0.6
119.08568	1.0
121.10153	1.1
122.06000	6.9
123.06590	0.5
123.11690	0.7
133.10152	0.9
134.06052	1.2
135.11693	1.0
136.08459	0.5
140.07028	7.4
144.04395	1.2
146.05980	3.2
147.11647	0.6
148.07558	0.9
159.11743	0.7
161.91229	0.5
162.05539	0.7
171.06563	0.6
172.03908	4.9
174.05482	4.1
176.07094	2.0
187.14859	0.5
190.05013	1.6
191.05733	0.6
192.06541	0.5
197.10773	1.6
199.12241	0.6
204.06490	6.9
206.08115	2.9
209.10767	0.7
211.08623	1.4
211.12608	0.5
212.09810	0.5
224.09317	0.6
225.10242	4.7
226.08650	0.6
227.11707	4.7
237.10223	1.2
238.10893	0.8
239.11821	1.8
249.10229	1.0
251.08296	0.6
251.11845	1.3
253.09627	2.9
255.11357	1.0
261.12299	0.6
263.08127	1.2
264.09021	0.8
265.09613	2.2
266.10535	0.9
267.11295	1.5
269.10150	0.6
269.12943	1.1
277.09708	0.9
279.11169	0.8
285.12253	8.8
286.13016	0.6
295.10809	0.6
297.12350	2.8
298.13202	3.1
299.14108	1.2
301.12033	1.4
301.15488	6.9
302.12814	1.5
311.13940	2.7
312.15015	1.1
313.11771	4.6
314.12857	1.1
315.13776	1.6
316.14450	3.5
317.15155	0.8
326.16507	0.7
327.13531	1.6
327.17255	0.7
328.10855	0.7
328.14417	2.7
329.11618	1.1
329.15341	2.9
330.12289	1.7
330.16034	3.1
331.12894	2.4
331.16827	4.2
332.17596	1.0
337.12000	0.8
338.12711	0.6
339.13461	0.6
340.14395	1.0
341.12259	0.9
342.12323	4.9
342.15900	0.7
343.13205	2.0
343.16971	0.6
344.13925	1.0
344.17499	4.3
345.14404	3.9
352.14459	0.9
354.12317	0.7
354.16223	1.1
355.13788	1.9
356.13815	3.9
356.17609	0.5
357.14880	2.4
358.15402	6.6
367.13251	0.8
369.27914	0.7
370.11749	1.5
370.15717	3.8
370.28177	0.8
371.12448	0.9
371.16678	0.6
372.17114	2.5
379.13190	0.6
380.13892	0.9
382.11514	2.6
382.15961	0.8
383.12750	1.8
384.13293	13.5
385.14001	3.9
386.14703	3.4
386.18201	0.7
386.19232	1.0
394.15610	0.6
396.17221	0.7
398.14951	13.1
399.15704	20.9
400.16446	37.5
401.16913	1.2
402.18011	1.4
404.19659	2.9
405.20352	0.7
412.16348	0.7
413.17142	0.6
414.18210	2.3
416.15530	0.9
417.20465	0.8
422.14780	0.8
428.19922	2.0
429.20602	0.8
430.17368	2.4
431.18372	6.3
432.19077	4.5
438.34824	0.8
439.34796	0.7
440.15833	0.8
444.19119	2.5
445.19827	1.0
450.38565	0.5
454.17523	2.5
455.17819	0.8
456.19379	0.6
458.16962	1.7
472.18631	22.9
473.19382	12.3
474.20102	3.6
504.21185	3.9
505.21939	2.3
524.49255	0.5
539.23010	0.5
569.27600	0.8
571.25513	2.6
595.25604	3.1
613.26453	100.0
614.26672	4.7
645.29089	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	643.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
53.81922	1.2
55.01862	7.3
55.05505	41.1
57.03431	9.1
57.07074	6.3
59.04973	1.8
65.03924	3.4
67.05499	66.9
69.03425	6.2
69.07062	29.6
69.80650	9.0
71.04984	5.0
71.08618	8.3
76.61779	1.2
79.05486	47.2
81.03407	4.7
81.07050	56.3
83.04997	7.2
83.08144	1.9
83.08607	20.4
85.06530	3.7
87.04475	1.7
91.05468	38.3
92.06318	1.4
93.07034	48.8
94.97392	1.3
95.04956	12.6
95.08598	35.3
97.06519	7.6
97.09560	2.1
97.10160	33.3
98.20733	2.4
99.08080	4.7
103.05423	1.3
105.07018	36.4
107.04957	4.7
107.07895	2.2
107.08585	36.7
109.06510	4.7
109.10157	21.2
111.08057	4.2
115.05470	3.4
117.07006	20.9
119.08570	31.2
121.06487	4.7
121.10131	20.2
123.08036	4.9
123.11660	7.0
125.09621	28.0
128.06206	3.1
129.06992	15.8
130.07770	1.3
131.08554	27.4
133.06546	2.4
133.09148	2.1
133.10109	24.0
135.08038	9.5
135.11685	11.2
137.09575	3.4
137.13249	1.2
139.11119	1.7
141.06984	2.7
142.07721	3.1
143.08546	13.8
145.06468	2.1
145.10107	26.0
147.08023	3.2
147.11671	12.5
149.09628	4.8
149.13240	6.6
151.11168	4.4
153.06999	2.0
153.09171	1.7
153.12772	2.3
155.08534	9.8
156.09230	1.3
157.10095	13.1
158.10992	1.9
159.08061	2.6
159.11674	13.9
161.09641	3.2
161.13240	11.5
163.11157	4.6
163.14835	3.5
165.12741	2.3
167.08525	2.7
168.09334	1.3
169.10104	11.0
171.10260	1.8
171.11644	16.7
173.11823	2.6
173.13249	9.5
175.11238	3.5
175.14796	4.9
177.12665	3.0
177.16353	1.5
179.08510	1.2
179.14238	3.0
181.10129	5.0
181.12221	1.7
183.11696	7.6
185.13231	11.1
187.11188	1.8
187.13226	2.9
187.14803	7.1
189.11206	15.2
189.12712	1.1
189.16306	1.6
195.11690	5.0
197.13219	7.2
199.14821	5.9
201.12791	2.3
201.16396	2.3
203.14369	1.9
209.13177	3.8
211.14810	4.7
213.16374	5.5
213.90565	1.2
215.14450	1.6
215.17975	1.9
221.13533	1.8
223.13203	3.6
223.15019	2.5
225.16447	2.8
227.12740	25.1
227.14754	2.0
227.17812	2.6
229.14159	1.3
229.19507	2.7
231.21049	1.6
235.14758	2.2
237.16406	2.0
239.17979	2.7
241.19466	8.0
243.15828	1.5
243.21126	3.8
245.13823	3.3
245.18982	1.7
247.20555	1.7
253.14191	1.6
253.19550	2.5
255.20824	1.6
257.18988	2.3
259.20621	9.7
261.22125	7.4
265.19547	1.4
267.21048	2.0
269.22675	2.0
273.18506	9.7
275.20062	9.4
277.21741	6.3
283.20770	1.4
283.23984	1.4
285.22098	2.4
287.23672	1.5
289.17755	2.1
291.19510	27.9
291.22733	2.1
293.21097	25.1
297.22107	2.1
299.23587	2.9
301.25107	1.9
313.21686	1.5
315.23126	2.4
317.24850	2.3
333.24234	6.4
335.25830	13.9
347.22079	2.6
349.23737	3.4
365.23254	14.1
365.28024	2.7
367.24692	6.3
379.30121	1.4
381.31537	10.4
383.29416	3.1
399.27414	1.3
399.32568	2.8
421.30930	1.9
433.31064	1.4
435.32449	2.0
455.35541	1.7
457.32907	2.1
471.34500	1.7
495.61429	1.2
513.35510	5.5
515.38751	2.6
517.34784	1.8
525.35400	5.7
527.37616	7.0
529.27533	1.2
529.35126	4.5
531.36627	4.1
533.39569	5.2
543.36450	5.3
545.38049	4.0
551.40698	6.3
569.42059	2.8
569.66058	1.6
607.43652	17.7
625.44568	100.0
626.44287	3.5
643.26227	1.5
643.45679	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23755	0.2
55.01855	0.6
55.05498	1.3
57.03411	0.4
62.33550	0.2
67.05492	2.8
68.67653	0.3
69.07044	1.1
71.04977	0.3
71.08614	0.4
76.93591	0.2
79.05480	2.6
81.03397	0.4
81.07050	2.7
83.04964	0.5
83.08601	0.8
85.06496	0.3
91.05482	2.0
93.07025	2.1
93.79208	0.3
95.04961	0.5
95.08601	1.8
97.06483	0.3
97.10148	0.4
98.20625	0.4
99.08078	0.6
100.41653	0.2
105.06998	2.1
106.07368	0.3
107.04905	0.3
107.08575	1.6
109.06494	0.6
109.10147	0.8
117.06983	0.8
119.08565	1.3
121.10104	0.7
129.06990	0.3
131.08583	0.6
133.10083	0.7
135.08057	0.4
135.11644	0.6
137.09624	0.4
143.08560	0.3
145.10104	0.9
147.11673	0.6
149.09613	0.4
149.13257	0.2
157.10077	0.6
159.11707	0.6
160.08835	0.3
161.13260	0.5
163.11217	0.4
171.11656	0.3
173.13243	0.5
175.11070	0.3
179.14270	0.7
197.13370	0.3
217.15776	0.4
259.20605	0.3
275.20120	1.2
276.20346	0.3
277.21515	0.7
291.19556	0.6
335.25806	0.6
349.23520	0.5
351.25165	0.6
396.12155	0.4
397.13043	1.5
409.13669	0.3
410.13824	2.4
411.14481	4.1
412.15210	2.8
413.16006	1.1
423.14444	0.9
424.11554	1.5
424.15573	1.3
425.11194	0.5
425.16171	7.2
426.16913	5.4
427.17416	0.9
428.18570	0.5
437.16498	0.5
438.13052	1.2
438.17764	0.6
438.81433	0.3
439.13367	6.0
440.19174	2.1
441.19229	22.7
442.19608	1.6
451.13507	0.4
452.14255	2.5
453.15216	8.1
454.15958	2.5
457.14993	0.5
458.15771	0.3
463.13742	0.4
465.15240	0.5
466.11954	0.4
466.16864	0.5
467.17120	17.4
468.17804	8.4
469.18781	9.8
470.12381	0.5
470.18884	0.9
480.17761	0.3
481.14764	11.3
482.15176	3.3
483.15811	0.4
485.18329	0.7
487.20059	0.4
494.17462	0.4
495.15866	2.4
496.17130	12.4
497.17941	2.3
498.18909	0.4
499.15674	0.5
508.19489	0.6
509.18576	1.1
510.20831	0.4
512.20496	0.7
514.22223	0.8
522.17908	0.6
523.19684	1.0
527.23669	1.4
528.19928	0.4
537.19720	0.5
540.19995	0.6
542.21515	0.8
544.36517	0.3
545.38098	0.5
555.22333	18.4
556.22736	1.1
568.19000	0.4
573.23907	0.4
583.21832	100.0
584.22192	5.4
587.24628	0.8
593.26459	0.4
611.21106	0.8
615.24426	7.7
624.43970	0.5
625.29199	1.1
625.44250	1.0
643.23712	29.2
643.45575	1.1
644.23578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01628	0.6
55.01867	8.3
55.05506	15.4
57.03429	18.4
57.07051	2.5
59.04972	1.0
65.03910	3.0
65.12406	0.6
67.05495	57.6
69.03403	2.6
69.07057	14.0
71.04968	3.0
71.08611	2.5
71.29546	1.7
79.05482	36.8
81.03406	3.4
81.07045	42.7
82.07370	0.8
83.04953	2.9
83.08609	7.5
85.06532	8.9
91.05466	28.9
93.07032	36.3
94.04208	0.9
95.01315	0.7
95.04955	39.3
95.08594	26.1
97.02871	1.6
97.06517	6.9
97.10148	6.3
99.08064	2.3
103.05469	1.2
105.07016	22.0
106.43964	0.6
107.04935	8.7
107.08578	23.6
108.22710	0.6
109.06502	44.8
109.10139	11.5
111.08047	2.4
111.61057	0.6
113.05991	25.4
115.05455	1.9
116.06232	0.7
117.07004	12.7
119.04932	0.8
119.08566	15.0
121.06494	3.3
121.10128	12.2
123.08035	5.0
123.11664	2.3
125.09624	3.9
128.06175	2.0
129.06985	6.4
131.08549	16.9
132.13239	0.7
133.06464	3.2
133.10106	11.7
135.08035	37.9
135.11659	8.8
137.05966	0.8
137.09584	1.9
141.06961	1.5
142.07758	1.6
143.08508	7.5
145.06448	1.5
145.10097	10.7
146.10500	0.8
147.08022	5.2
147.11694	6.0
149.09583	5.0
149.13239	4.3
151.11182	2.1
155.08513	2.3
157.10106	6.8
157.68568	0.7
159.08037	2.1
159.11655	7.0
161.09618	7.5
161.13257	4.3
163.11185	3.6
165.09119	1.0
169.10088	1.7
171.11662	3.9
173.09584	1.2
173.13260	4.3
175.11154	2.9
175.14793	1.3
177.12752	2.6
179.14256	2.3
181.10042	1.4
183.11684	1.8
185.09624	1.1
185.13242	2.2
187.11197	1.1
187.14806	1.6
189.11198	2.3
189.16411	1.0
195.11757	1.1
195.13673	0.8
197.13237	1.0
199.11143	1.0
199.14771	3.1
201.12740	1.6
205.12086	0.8
215.47748	0.7
217.15845	11.2
219.13689	0.9
223.13225	2.3
227.12714	2.7
227.17917	1.3
233.15308	1.0
237.16373	1.8
245.19000	2.3
249.14854	0.8
255.17436	2.1
257.19119	0.7
261.22107	2.5
273.18469	31.0
275.20001	4.1
277.21616	2.3
287.23395	0.9
291.19504	100.0
292.19827	2.9
293.21051	3.6
309.20602	1.2
333.24353	0.9
335.25754	40.5
342.93246	0.7
347.22095	6.2
349.23660	1.4
351.25281	1.5
365.23203	14.5
513.36017	0.8
543.36932	0.9
551.40350	0.9
567.40100	0.9
607.43469	7.2
625.44568	41.2
626.44598	2.0
643.45825	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	642.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01855	1.6
55.05500	7.7
57.03427	3.6
57.07068	22.0
65.03928	1.4
67.05493	27.2
69.07056	10.1
70.91506	2.3
71.04991	1.8
71.08622	20.2
79.05476	16.6
81.03407	1.6
81.07043	30.8
83.04979	5.1
83.08610	10.6
85.06548	1.2
85.10168	8.0
91.05457	11.1
93.06430	0.8
93.07030	16.6
93.43422	0.7
95.04942	4.3
95.08591	20.9
96.59451	0.8
97.06491	4.3
97.10166	3.4
99.08082	2.6
104.37827	0.8
105.06997	6.9
106.93587	0.8
107.04925	0.7
107.08572	8.2
109.06497	1.4
109.10146	7.6
111.08064	2.4
117.06953	3.7
119.08559	3.8
121.10123	4.1
123.11708	3.9
131.08559	3.7
133.10072	3.6
135.08067	1.0
135.11658	2.9
139.11151	1.0
143.08537	0.8
145.10008	1.0
147.11684	2.0
149.09622	0.8
149.13237	5.4
151.11174	4.5
157.10071	1.0
159.11707	2.9
161.13249	1.3
163.11240	1.7
171.11623	0.8
177.12830	1.5
179.14290	0.9
179.39600	1.1
195.13809	3.1
227.12656	0.9
231.21140	1.1
239.23688	2.1
251.16447	2.3
259.20575	1.4
269.17477	8.7
277.21646	5.3
313.27316	24.8
319.21072	0.8
351.25201	8.8
465.35144	0.8
491.40509	1.1
507.40399	100.0
508.40439	5.1
575.60583	0.8
589.48273	6.0
652.71307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60955	0.2
52.45994	0.3
55.05474	0.3
64.92860	0.3
67.05426	0.5
69.84623	0.8
69.85046	1.2
79.05425	0.3
81.07022	0.6
91.05406	0.4
95.08577	0.3
96.05263	0.3
105.06995	0.3
133.10030	0.3
195.80424	0.3
254.14481	0.3
396.12201	0.8
397.13086	1.8
398.13696	1.0
399.14395	0.6
400.15524	0.4
410.13681	2.9
411.14493	6.2
412.15161	4.4
413.16013	2.2
414.16629	0.4
415.14697	0.3
422.13089	0.4
423.15170	1.8
424.11053	1.3
424.16214	2.5
425.16226	11.3
426.16910	9.1
427.17612	1.7
428.18420	1.2
437.11551	0.5
437.16437	1.0
438.12885	2.5
438.17319	1.5
439.13467	14.3
440.13373	0.9
440.19116	4.4
441.19241	36.5
442.13437	0.5
442.19513	3.8
451.13278	0.6
451.18359	0.5
452.14270	3.6
453.15213	16.8
454.15820	4.4
455.16626	0.4
457.15024	0.4
458.15805	0.5
459.20456	0.3
463.14056	1.0
465.15543	0.9
466.12073	0.4
466.16568	0.6
467.17084	25.9
468.17810	15.3
468.24649	0.5
469.18713	13.4
470.18958	0.9
471.16684	1.2
479.17743	0.4
480.17270	0.6
481.14630	13.4
482.15231	4.0
483.16241	0.9
485.18326	1.1
486.18835	0.3
494.16370	0.5
495.15717	3.8
496.17050	15.5
497.17593	3.8
498.19022	0.5
499.19498	1.1
501.08838	0.4
508.19009	0.6
509.18311	2.3
510.19138	0.8
512.20135	0.7
514.22516	2.5
522.17719	0.5
523.19940	1.9
524.20190	0.5
527.23273	3.0
528.23712	0.6
537.19086	0.8
540.20276	0.7
542.21448	0.6
545.23462	0.5
551.19830	0.4
555.22357	25.4
556.22723	2.5
568.19208	0.8
583.21814	100.0
584.22089	11.1
586.20032	0.6
587.24817	1.8
611.21466	2.6
614.23181	0.7
615.24365	11.0
616.24573	1.1
643.23804	84.7
644.24011	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	642.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03922	1.0
55.01877	1.8
55.05503	6.2
57.03438	1.6
57.07048	0.4
61.02691	0.3
61.02920	2.8
63.37115	0.3
65.03933	0.7
65.48188	0.3
67.05495	14.4
68.05820	0.6
69.03400	0.8
69.07058	5.2
69.44558	0.3
69.44907	3.7
70.07397	0.3
71.04980	1.1
72.76591	0.3
73.02898	0.5
77.92629	0.4
79.05482	12.1
79.82607	0.3
80.05824	0.4
81.03394	1.3
81.07043	14.8
82.07388	0.7
83.04960	1.5
83.08601	3.4
85.02885	2.4
85.06530	1.1
91.03931	1.1
91.05473	15.5
92.05784	0.6
93.07027	12.6
94.07356	0.5
95.04947	3.1
95.08593	8.9
96.08920	0.3
97.02879	1.4
97.06519	2.5
97.10147	1.6
98.21460	0.6
99.04447	0.4
99.08093	0.6
103.05460	0.5
105.04522	0.3
105.07018	16.3
106.07343	0.6
106.39497	0.3
107.04970	2.0
107.08576	8.0
109.06504	2.1
109.10136	4.9
111.08054	1.3
115.05440	0.8
116.06296	0.3
117.07007	7.2
119.08567	11.1
119.22215	0.3
121.06465	1.7
121.10123	4.6
123.08048	1.2
123.11657	0.9
125.09586	0.6
127.03893	0.5
128.06213	0.7
129.06992	5.6
129.79047	0.3
131.08543	13.2
132.08859	0.4
133.06465	1.0
133.10110	8.2
135.08012	1.8
135.11668	2.3
137.09593	1.3
141.06990	2.0
142.07715	0.5
143.08546	5.8
145.06471	0.9
145.10107	9.1
147.08035	1.9
147.11673	3.2
149.09601	2.2
149.13243	0.8
151.11154	0.7
154.07767	0.3
155.08522	3.0
157.10107	4.0
159.08070	0.7
159.11665	4.3
161.09636	0.7
161.13208	0.9
163.11162	1.0
167.08533	1.4
169.10095	3.1
171.11659	3.3
173.09624	0.4
173.13234	2.1
175.11151	0.6
175.14882	0.7
177.12785	0.6
179.14195	0.4
181.10101	1.6
183.11665	1.8
185.13214	2.0
187.11121	0.5
187.14790	1.1
189.12769	0.5
189.52338	0.3
191.14272	0.5
195.11678	1.4
197.13252	2.4
199.11217	0.5
199.14810	1.3
201.12784	0.6
201.16356	0.9
203.14297	0.6
209.13260	1.2
211.14728	1.5
213.12804	0.7
213.16367	0.6
215.14284	0.8
217.15874	0.5
221.13391	0.4
223.14796	1.2
225.16365	0.6
229.15891	0.5
233.15359	0.4
237.16360	0.7
239.17938	0.5
241.15852	0.8
243.17397	0.8
247.16905	0.8
251.52914	0.3
253.14058	0.3
257.19037	0.5
258.19220	0.4
259.17017	0.7
261.18594	0.7
267.15762	0.4
273.18436	0.9
275.19980	2.1
276.20392	1.6
287.20084	0.4
293.20911	0.3
325.25259	1.3
335.23645	0.9
343.26242	1.8
349.23798	1.2
350.23999	0.9
353.24631	4.4
365.23761	0.4
371.25803	4.9
389.26758	4.4
390.27344	0.4
427.28333	1.0
445.29440	100.0
446.29825	4.8
463.30478	22.5
464.30896	1.0
586.33881	0.4
624.43317	1.3
642.28833	0.7
642.44427	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	641.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.01863	16.3
55.05504	63.1
56.05843	1.1
57.03425	11.7
57.07056	6.8
59.04986	2.5
65.03921	6.2
67.05496	90.3
69.03421	10.4
69.07059	52.0
71.04979	11.5
71.08625	3.1
71.80042	2.0
77.03900	2.2
79.05482	76.0
81.03403	9.0
81.07043	86.6
83.04976	14.3
83.08603	29.5
85.06528	5.4
89.06039	1.5
91.05466	75.6
93.07030	72.1
94.04192	1.6
95.04962	19.6
95.08593	50.3
97.02885	7.4
97.06519	16.3
97.10155	34.2
99.08095	4.1
103.05449	1.7
105.04531	2.1
105.07014	83.8
107.04940	10.4
107.08582	54.5
107.09319	2.5
109.06493	7.1
109.10140	31.7
111.08060	8.5
111.11707	1.4
115.05470	4.9
117.06998	33.2
119.08565	67.9
121.06493	7.8
121.10133	27.5
121.93194	1.3
123.04398	2.2
123.08051	10.4
123.11672	9.8
125.09614	29.5
128.06206	6.1
129.05521	1.4
129.06996	22.1
130.07756	3.5
131.08549	44.8
133.06476	5.6
133.10110	43.7
135.08043	10.6
135.11668	19.3
137.09622	6.2
139.11174	2.7
141.06952	8.1
142.07773	4.9
143.08530	25.5
143.09593	1.7
144.09279	2.5
145.06471	2.4
145.10104	37.9
146.10567	1.8
147.08020	8.7
147.11653	35.3
148.11992	1.2
149.09578	8.6
149.13245	9.2
151.11191	5.1
153.07025	2.6
153.09131	3.6
154.07716	1.7
155.08530	13.2
156.09363	4.7
157.06519	1.7
157.10115	23.7
158.10680	1.6
159.08023	5.9
159.11684	27.1
161.09645	8.3
161.13246	21.8
163.11177	7.5
163.14832	4.3
165.07016	3.2
165.12744	2.5
166.07800	1.4
167.08531	6.7
168.09328	3.5
169.10106	17.3
169.12230	1.8
170.10733	1.5
171.08015	2.6
171.10268	2.0
171.11647	21.7
172.12553	1.8
173.09628	4.0
173.11816	2.5
173.13232	19.5
175.11172	6.3
175.14804	14.0
177.12755	4.1
179.08588	3.0
179.11018	1.3
179.14320	2.6
180.09280	2.5
181.10095	9.9
182.10910	2.9
183.11673	16.4
184.12485	1.2
185.09659	2.4
185.13226	16.8
187.11226	3.5
187.13335	2.6
187.14764	7.8
189.11200	21.7
189.12762	3.2
189.16351	2.7
191.14320	1.9
193.10178	3.8
195.11742	9.9
195.13426	1.9
197.13243	11.8
199.11127	2.6
199.14816	11.4
201.12685	3.1
201.16420	3.4
203.14279	2.0
205.10303	1.4
207.11755	5.1
209.13264	7.0
211.14856	7.7
213.12697	2.3
213.16399	4.6
215.14305	2.0
215.17906	2.0
217.16017	1.7
221.13274	4.7
223.13039	12.0
223.14938	4.1
225.16412	7.4
227.12726	24.9
227.18007	3.6
229.15999	1.9
229.19589	2.7
231.17497	1.8
231.21068	3.9
233.15456	1.5
235.14955	2.7
237.16351	4.5
239.17903	6.0
241.19470	22.0
243.15791	2.3
243.20972	1.4
245.13673	1.6
245.19102	1.5
247.14851	2.3
249.16582	2.0
251.18016	2.8
253.15971	2.3
257.19138	7.0
259.20557	47.2
261.18616	1.6
265.19559	1.5
269.19150	1.3
271.16989	3.1
271.20731	1.4
273.18469	11.0
275.20038	22.5
277.21729	5.2
283.20483	1.6
285.19211	1.4
285.21945	5.9
287.20166	2.1
289.17844	6.9
291.19489	71.0
292.19907	3.3
293.21280	1.9
299.23819	3.7
313.21521	1.3
315.23288	6.4
323.23712	1.3
325.25314	1.3
327.23410	2.3
331.22760	3.5
333.24207	37.9
333.28018	2.4
334.24597	1.3
335.25952	4.0
337.21616	1.3
347.22357	2.0
349.23727	11.0
351.25436	1.5
361.24820	1.3
363.21790	3.2
363.26715	6.4
365.23157	34.7
379.25781	1.7
379.29953	7.8
381.27896	5.3
395.29538	1.9
397.31226	3.8
411.66681	1.5
415.29834	1.4
417.20938	1.4
419.29596	2.2
433.23849	3.1
437.30573	3.5
445.30878	1.5
455.31641	2.3
473.32932	1.9
477.22757	5.0
511.33975	6.5
513.36719	4.7
525.35577	7.4
527.37476	1.7
529.34869	8.7
531.38263	8.3
541.35425	2.2
543.36932	8.6
547.27203	3.4
549.25024	3.0
549.39551	6.6
550.25720	4.4
553.35809	1.4
554.36133	1.8
567.40454	4.8
583.39764	1.4
591.26056	3.6
595.43536	2.5
605.27625	4.5
605.41895	18.5
606.27325	1.8
606.42572	2.3
623.28607	25.8
623.43079	100.0
624.29333	3.2
624.43207	10.7
641.28168	2.8
641.44135	54.0
642.45319	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	641.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.0
50.75420	0.8
53.03924	3.5
55.01863	23.3
55.05502	37.8
57.03428	7.8
57.07070	3.1
58.78994	0.8
59.04989	0.8
65.03925	3.9
67.05493	75.1
68.05844	1.0
69.03413	3.4
69.07058	40.1
71.04974	5.5
77.03920	1.2
79.05481	69.6
80.05814	1.0
81.03405	7.8
81.07043	69.3
82.07394	1.0
83.04962	10.2
83.08608	19.1
85.02876	0.9
85.06522	4.5
87.04474	1.0
91.05464	61.6
93.07029	56.1
95.01362	1.8
95.04955	12.8
95.08591	46.2
97.02912	1.3
97.06515	32.3
97.10151	17.6
99.08095	2.1
103.05473	1.9
105.07014	64.1
107.04936	21.2
107.05647	1.4
107.08575	57.3
108.08848	1.2
109.06500	10.6
109.10140	26.8
111.08056	4.9
113.09606	1.3
115.05459	2.9
115.07578	1.0
116.61340	0.7
117.06998	23.2
119.04927	1.0
119.08558	41.3
120.08874	1.4
121.06490	6.7
121.10128	21.1
123.04433	0.9
123.08053	7.5
123.11676	8.3
125.09618	16.0
128.06224	3.2
129.05481	1.1
129.06989	11.9
130.07811	1.6
131.08549	31.5
133.06476	2.9
133.10110	34.6
133.11131	1.7
135.08037	8.4
135.11679	11.7
137.09554	4.7
137.13243	0.8
139.11151	1.4
141.06982	3.6
142.07762	2.8
143.08536	12.4
144.09363	1.3
145.06493	3.1
145.10107	30.4
146.10564	0.8
147.08040	3.1
147.11664	24.1
149.09601	26.4
149.13255	5.1
151.07535	0.9
151.11134	4.5
153.09097	1.8
155.08513	7.1
156.09160	1.1
157.06566	0.8
157.10121	12.5
159.08014	2.0
159.11673	23.3
159.12920	1.6
161.09592	5.2
161.13213	10.0
163.11168	14.6
163.14835	1.8
165.09091	1.9
165.12772	2.5
167.08600	3.5
167.10712	1.0
168.09273	1.8
169.10110	9.4
169.12259	1.0
170.10847	0.9
171.08029	1.2
171.10275	1.7
171.11639	11.9
173.09618	3.3
173.11761	2.8
173.13177	11.6
174.13538	0.8
175.11203	3.8
175.14793	2.8
177.12720	4.1
179.08560	1.6
179.14246	5.1
181.10168	4.8
181.12170	1.1
183.11665	8.3
185.09673	1.4
185.13220	8.0
187.11212	3.4
187.13290	1.8
187.14685	5.0
189.05695	0.9
189.11223	9.6
189.12756	2.7
189.16414	1.6
191.14182	1.3
193.10301	1.2
193.12154	1.6
195.11726	4.5
195.13734	1.0
197.13228	7.3
199.14766	4.1
201.12802	2.4
201.16475	2.2
205.12395	1.5
205.16002	1.3
207.11769	2.0
207.13739	0.9
209.13280	4.5
209.15121	1.0
210.13864	1.1
211.14777	4.3
213.13028	1.0
213.16405	6.9
215.14333	1.8
215.17943	2.1
219.13625	0.9
221.13368	1.5
221.15361	0.8
223.14914	1.8
225.16451	1.9
227.12737	22.1
227.14729	1.5
227.17982	2.8
229.14247	1.8
229.19511	7.1
229.68294	0.9
233.15468	1.3
233.19052	1.1
235.14789	1.2
237.16463	1.9
239.14458	0.9
239.17987	6.1
243.15883	1.9
245.19032	0.9
247.20583	3.6
249.16472	1.3
257.18988	16.9
259.20627	1.8
267.15826	4.5
267.20901	0.9
271.20697	1.2
273.18600	2.6
275.20023	100.0
276.20459	2.6
283.20563	1.0
285.22250	1.2
287.20154	1.3
291.19431	7.1
293.21057	10.6
313.21701	1.4
323.23444	1.0
331.22610	4.9
333.24301	1.2
339.23175	1.3
347.22385	1.3
349.23685	59.0
350.24081	1.9
355.26245	0.9
363.27029	1.9
365.23224	1.7
367.25079	1.4
377.28326	1.2
379.30359	1.1
381.27985	3.5
393.27908	0.9
395.29480	2.2
397.22391	1.4
397.30826	1.7
399.28989	1.1
419.28955	1.3
437.30487	1.4
445.29584	2.5
455.31699	1.0
503.33548	1.2
504.21344	2.0
511.34061	4.1
513.36792	1.9
519.33307	2.5
527.37213	3.4
529.35260	5.8
531.38348	4.6
539.04907	0.8
543.37286	3.9
549.39355	3.2
557.34967	3.5
595.43799	1.2
605.41846	5.8
623.42938	51.2
624.43756	4.4
633.81427	0.9
641.30029	2.8
641.44043	49.6
642.44714	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	640.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.2
55.05503	23.2
57.03419	3.1
57.07071	12.8
58.07320	1.1
65.03920	1.1
67.05492	21.4
69.03414	1.8
69.07055	8.3
69.91511	4.4
69.91924	2.0
71.08624	9.5
79.05482	17.9
81.07043	17.1
83.04963	2.6
83.08602	15.5
85.10173	4.8
91.05464	8.9
93.07024	10.3
95.04941	1.7
95.08595	9.5
97.10149	28.7
98.21413	1.9
105.07018	8.6
107.08577	25.2
109.06493	2.8
109.10162	7.7
111.08038	1.8
117.07008	4.3
118.59660	0.8
119.08563	3.2
121.10133	1.5
123.11717	2.1
125.08682	1.4
125.09610	28.8
126.09870	1.1
131.08560	2.5
133.10086	5.0
135.08015	3.7
135.11656	1.5
138.45911	0.8
143.10663	1.5
145.10077	7.4
147.11668	3.8
149.09567	2.5
153.09106	2.0
157.03922	0.9
159.11630	2.2
171.10132	2.6
171.11536	1.5
173.07668	0.9
173.13213	1.5
183.11752	1.5
189.11180	15.5
227.12741	100.0
228.13081	1.3
229.19400	1.1
239.17863	2.2
257.18924	5.7
275.20013	21.4
311.25800	1.3
312.26178	1.0
313.27322	31.8
331.22620	2.7
349.23645	19.6
483.36661	8.9
493.37772	1.3
507.39249	1.2
569.45776	1.3
587.37683	1.4
587.46570	22.1
588.46930	1.4
605.47516	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	640.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.7
53.03921	2.3
55.01850	2.8
55.05503	15.6
57.03426	11.2
57.07066	39.3
65.03930	2.6
67.05494	41.5
69.03398	2.6
69.07057	21.2
70.97096	2.5
71.04970	3.5
71.08619	27.3
79.05479	28.0
81.03398	3.5
81.07043	56.0
82.07382	0.9
83.04964	7.0
83.08606	16.7
85.06515	3.3
85.10171	15.9
91.05466	26.9
93.07030	30.5
95.04939	8.0
95.08590	36.1
97.06528	7.5
97.10152	7.2
99.08076	2.5
101.58954	0.6
103.05453	0.9
105.07014	20.6
107.04955	2.9
107.08578	17.9
109.06506	3.9
109.10131	12.8
111.08080	2.7
111.11681	1.6
117.07009	9.9
119.08574	14.0
121.06483	3.7
121.10126	10.4
123.08066	3.6
123.11703	5.1
125.09614	1.4
128.06226	0.7
129.06975	3.0
130.07791	1.0
131.08560	12.6
133.10103	13.9
135.08025	2.7
135.11676	9.9
137.09569	2.0
137.13261	1.5
139.11159	0.9
143.08553	2.0
144.09186	0.8
145.10120	10.1
146.10512	0.9
147.08093	1.0
147.11682	5.0
149.08525	1.1
149.09563	6.1
149.13208	7.7
151.11134	1.5
153.08986	0.8
155.08571	1.2
157.10060	3.0
157.22696	0.9
159.11676	8.6
161.09647	1.0
161.13268	2.4
163.11174	3.6
165.09227	0.7
165.12740	1.1
169.10184	1.3
171.11650	1.7
173.13269	2.5
175.11198	1.1
175.14816	1.0
177.12781	2.7
179.14224	1.1
181.12253	1.8
183.11731	1.8
187.14781	1.0
195.13705	4.1
197.13171	1.1
199.14871	2.2
213.14850	1.2
217.15846	2.9
229.19341	1.0
235.16838	1.2
239.17902	1.9
239.23685	4.2
247.20537	2.2
251.16325	2.7
253.14467	0.8
255.15854	13.4
257.19012	7.4
257.24670	1.0
267.15933	2.1
269.17453	18.3
275.20029	25.1
291.19388	2.0
293.21094	2.2
309.20459	1.2
311.25787	1.2
313.27322	69.8
314.27765	2.0
331.22629	2.7
341.26648	1.1
349.23676	18.6
360.38312	0.7
367.24939	3.2
493.38895	20.2
505.38721	1.0
507.40399	100.0
508.40619	3.2
530.33575	0.8
547.43512	2.2
587.46588	14.7
605.47638	5.6
661.85944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.01857	1.1
55.05506	3.3
57.03421	1.9
57.07067	0.8
61.02908	1.5
61.90867	0.5
65.03932	0.6
67.05489	3.4
69.03418	11.2
69.07063	6.9
70.06575	1.6
71.04974	2.9
72.08142	0.8
73.02910	1.2
78.03442	7.5
79.05470	3.2
80.05009	2.3
81.02924	1.0
81.03404	21.5
81.07031	5.8
82.20878	0.4
83.04954	1.0
83.08610	2.3
83.92967	0.5
84.08127	0.8
85.02892	15.6
85.03388	1.1
86.09706	0.6
87.04440	0.7
89.03887	1.3
89.06015	0.5
91.05460	5.6
93.07040	5.1
94.06559	0.5
95.04948	1.6
95.08589	12.7
96.04456	3.6
97.02879	9.4
97.06525	1.0
99.04435	3.7
99.48777	0.5
103.05428	1.2
105.07012	13.3
106.02899	42.3
106.07337	0.5
107.03239	0.5
107.04922	1.1
107.08575	7.9
109.02859	12.5
109.06489	0.9
109.10146	8.4
110.07138	2.8
110.27435	0.5
111.04391	0.6
112.07557	0.5
113.09627	0.5
114.09147	2.1
115.05486	0.8
116.07086	0.8
117.03358	2.0
117.06988	1.4
119.04892	1.1
119.08562	47.8
120.08121	0.6
120.08881	1.0
121.06458	0.6
121.10157	5.1
122.05996	0.6
123.04387	1.4
123.08041	0.8
123.08899	0.4
123.11695	1.8
124.03931	91.9
125.04286	1.6
127.03891	8.8
130.08652	3.6
131.08527	2.0
133.10107	58.2
134.10464	1.8
135.04410	1.8
135.11670	8.6
136.03868	0.6
137.05989	2.4
137.09607	5.5
138.05443	0.6
140.07036	1.1
145.02824	4.7
145.04932	2.3
145.06575	0.6
145.10088	2.2
147.04376	2.2
147.11655	7.3
148.11148	0.9
149.05959	0.6
149.13219	1.2
151.03720	0.5
151.14793	1.5
154.04869	0.5
156.07672	0.8
157.10130	0.5
159.11708	0.9
160.09660	0.7
160.12448	1.4
163.03891	6.3
163.07524	0.8
163.11215	0.6
164.04240	1.6
164.07053	0.6
166.05034	0.9
167.07089	0.7
173.13205	1.1
175.03877	0.8
175.14795	100.0
176.15138	4.2
177.05469	7.7
177.16364	1.3
178.08635	1.2
187.04057	0.6
193.12129	0.9
193.15866	15.8
195.02872	0.8
196.05865	0.6
205.04961	0.6
207.06444	0.9
217.15906	0.7
219.07976	0.6
226.07149	0.6
232.05972	1.5
239.11925	1.0
250.07063	16.0
251.07373	0.8
251.11792	0.8
263.11771	1.0
265.13269	1.9
265.15872	0.5
267.11209	1.1
267.15692	0.8
268.08130	37.8
269.08450	1.3
277.09763	0.8
279.11282	1.6
284.07568	0.6
285.12000	0.5
285.17096	0.7
286.09164	17.3
287.05356	0.7
291.11124	0.7
293.12836	0.7
302.13669	0.7
303.13248	1.6
309.12350	2.6
310.12881	0.8
319.10663	0.5
337.11807	5.3
338.12549	2.0
339.13300	1.1
340.08716	0.6
382.06335	0.8
385.90253	0.5
460.23221	10.8
461.23129	0.9
464.23795	0.7
477.18402	0.6
478.24341	45.7
479.24704	2.6
499.16953	0.8
502.11618	0.9
640.23578	6.6
641.24609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01850	2.1
55.05502	10.1
57.03428	5.0
57.07063	2.2
59.04994	1.2
61.02900	3.6
65.03927	1.4
67.05497	16.2
69.03418	6.9
69.07060	11.9
71.01332	1.3
71.04989	11.8
71.08619	1.0
72.85497	0.8
73.02908	27.8
75.73314	0.8
79.05478	15.3
81.03411	10.8
81.07042	28.7
83.04975	6.2
83.08606	7.7
85.02892	7.2
85.06517	2.3
87.04451	0.8
91.05470	15.5
93.07030	25.6
95.04955	7.8
95.08592	35.4
96.08895	1.7
97.02874	5.4
97.06520	5.4
97.10152	7.3
99.04440	1.2
99.08083	2.6
103.03897	0.9
105.06319	1.5
105.07018	23.4
107.04951	2.8
107.08578	34.7
108.08920	0.9
109.02850	2.6
109.06523	5.3
109.10137	31.2
111.04453	2.0
111.08042	3.8
113.05982	1.9
113.09641	1.4
114.09153	0.9
115.03904	3.7
115.05429	1.4
117.07013	6.7
119.08566	31.2
121.06477	5.7
121.09240	1.6
121.10130	31.5
123.04428	1.3
123.08050	35.1
123.11688	13.1
125.09611	9.6
127.03899	2.2
127.11163	5.4
129.05476	1.1
129.06963	3.0
131.08556	11.6
133.05035	0.8
133.06473	2.1
133.10114	28.1
135.08044	4.4
135.11674	20.5
137.05978	0.9
137.08565	1.6
137.09593	25.3
137.13203	4.1
139.11195	1.7
141.06953	1.7
141.09019	1.6
141.12743	1.3
142.07690	1.0
143.08521	7.2
143.10667	5.3
144.09293	1.1
145.06459	1.6
145.10101	20.2
147.07964	4.0
147.11673	20.0
149.05861	1.2
149.09636	4.9
149.13251	10.1
151.07491	1.2
151.11143	3.1
153.09079	1.5
153.12711	2.1
155.08530	2.4
156.09334	1.1
157.06435	1.0
157.10092	9.6
157.35130	0.9
159.08000	2.8
159.11670	19.9
161.05927	1.0
161.09586	3.5
161.13208	14.6
161.14487	1.0
163.03842	1.2
163.07414	1.3
163.11166	3.5
163.14809	4.7
165.09074	3.8
165.12788	1.9
167.10710	0.9
169.10071	4.7
171.11681	7.9
173.04482	1.6
173.09602	2.1
173.13237	10.8
175.11176	4.4
175.14792	8.4
177.09128	1.5
177.12744	3.5
177.16338	3.7
179.10622	2.9
179.14240	1.9
181.10124	1.9
181.12160	1.0
183.11607	4.0
185.09616	1.7
185.13240	6.1
187.11185	2.4
187.14803	11.2
189.12746	2.9
189.16370	7.5
191.10655	3.0
191.14272	2.4
191.17941	5.8
193.10373	1.5
193.12213	5.5
195.11661	2.1
197.13246	5.3
199.11122	1.6
199.14799	5.1
201.09233	0.9
201.12779	2.1
201.16379	8.4
203.10661	1.0
203.14346	1.6
203.17918	4.3
205.12219	2.1
205.15875	3.1
207.13782	1.4
207.17387	2.9
209.13393	2.1
211.13205	3.0
211.14842	2.4
213.12721	1.4
213.16330	5.3
215.14349	1.4
215.17958	3.8
217.12236	1.4
217.15874	2.0
217.19550	1.2
219.13797	1.6
219.17319	1.1
223.14890	1.4
225.16322	2.0
227.12598	1.8
227.14497	1.1
227.17870	2.4
229.15952	1.5
229.19498	1.3
231.13773	2.2
233.15332	3.1
235.16922	1.0
237.18628	0.9
239.18063	1.3
241.15862	1.1
241.19572	2.2
243.13835	1.0
243.17484	1.4
243.20969	1.3
245.15405	1.6
247.16858	1.9
253.19502	2.5
255.21024	2.4
259.20383	1.2
267.15952	3.3
267.21066	1.9
269.19293	1.0
271.20367	1.5
273.18381	2.0
273.21912	1.1
283.20111	1.0
297.21921	0.9
299.20065	1.2
301.21457	2.7
309.21991	1.1
312.62427	0.9
313.21579	4.0
315.23166	2.7
323.27225	1.2
325.25314	1.0
353.28482	1.7
365.28143	1.3
367.22275	1.7
367.26398	1.7
383.29428	16.9
385.23547	3.1
392.15790	0.9
395.29361	5.6
401.30444	16.8
403.28757	1.2
405.31342	1.0
407.33035	1.2
411.32428	1.4
413.30557	4.7
417.31607	2.0
423.32541	3.6
433.25867	1.1
435.32626	6.8
441.33578	3.9
453.33609	16.3
459.27451	8.7
471.34662	87.2
472.35214	4.9
475.36435	1.1
477.28412	8.0
489.35715	100.0
490.35873	5.9
507.36737	39.6
508.36722	2.0
603.39178	8.9
621.39972	63.4
622.39862	3.9
639.33154	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	639.409
Annotation	Beesioside B
Peak:m/z	Relative Intensity
53.03918	0.7
55.01859	1.3
55.05502	3.7
55.72843	0.4
55.93907	0.5
57.03428	4.0
57.07063	0.8
59.04998	0.6
61.02924	4.2
67.05490	9.8
69.07056	5.5
70.67371	2.0
71.01326	1.5
71.04980	9.7
73.02902	34.8
79.05481	8.3
81.03403	1.6
81.07042	17.9
81.07524	0.9
82.46654	0.5
83.04949	1.8
83.08604	3.6
85.02882	5.4
85.06524	2.0
87.04440	0.7
91.05457	9.1
93.07024	17.5
95.04942	3.7
95.08593	16.3
96.08939	0.6
97.02862	4.0
97.06495	1.6
97.10149	2.5
99.08086	1.5
105.07005	19.9
107.04893	0.8
107.08569	22.7
108.08943	0.6
109.06489	2.0
109.10136	19.8
111.04405	0.8
111.08056	2.5
113.09673	0.7
114.09125	0.6
115.03928	5.2
115.05409	0.6
117.06971	3.3
119.04913	0.8
119.08557	19.2
120.08072	0.8
121.06483	2.3
121.10119	15.9
123.08059	2.4
123.11678	9.0
125.05977	0.6
125.09614	7.2
127.03915	0.7
127.07536	0.8
127.11165	4.9
127.53782	0.5
129.07005	2.4
131.08539	10.5
133.02759	0.7
133.04921	1.0
133.06537	0.7
133.10100	21.2
134.06021	0.7
134.09631	4.7
135.08025	3.3
135.09970	0.9
135.11662	9.0
137.09630	1.6
137.13240	1.2
138.05476	1.3
139.07509	0.6
139.11165	1.5
141.06990	1.0
141.12749	1.9
142.07750	0.8
143.08543	4.2
143.10655	7.6
144.09349	1.6
145.10100	15.6
147.04422	1.6
147.08002	1.3
147.11653	13.7
149.09610	2.3
149.13234	6.7
151.11168	1.6
153.12819	0.6
155.08562	1.9
156.09276	0.7
157.10115	7.4
158.10835	1.6
159.08003	1.0
159.10341	1.2
159.11667	17.0
159.12944	1.2
161.09605	2.3
161.13228	11.5
163.07573	0.8
163.11140	2.6
163.14818	2.5
165.09174	0.9
165.12753	1.3
167.10582	0.5
169.10114	3.8
171.08041	0.6
171.11674	6.6
173.09599	0.9
173.13220	11.6
175.11194	2.3
175.14806	7.1
177.12689	1.3
177.16377	1.9
179.10698	1.2
179.14294	1.6
181.10162	0.9
183.11621	3.6
185.13214	5.0
186.09180	0.6
186.13901	0.7
187.11157	1.1
187.14760	7.2
187.16014	0.6
189.12724	1.0
189.16333	4.0
190.16736	0.7
191.14264	0.8
191.17899	0.9
193.04913	4.5
193.12274	1.0
195.11674	1.6
197.13200	3.9
199.11205	1.3
199.14740	4.9
201.12624	0.8
201.16350	6.1
203.14334	1.0
203.17897	0.7
205.15775	2.8
207.17416	0.8
209.13254	2.3
211.14813	3.0
213.12808	1.2
213.16339	4.9
215.14326	1.9
215.17944	2.3
217.15935	1.5
219.13814	1.5
219.17450	1.2
221.13159	0.7
223.14806	1.4
225.12672	0.5
225.16371	2.4
227.17958	2.1
229.15865	1.3
231.17419	1.6
233.15297	1.2
233.18973	0.7
235.14882	0.7
235.16983	1.1
237.02817	0.9
237.16542	1.3
239.17926	1.2
241.19467	1.2
243.17339	0.8
245.15369	1.1
247.16925	2.6
249.18665	0.8
251.17967	0.8
253.19429	1.8
255.17494	1.1
257.18933	0.9
259.20566	1.2
265.19559	0.7
267.15930	0.9
273.18500	1.8
273.22153	0.7
283.20340	0.8
285.12411	1.8
285.18234	0.6
295.20645	0.9
297.22168	0.8
301.21652	2.0
303.13443	1.8
309.22122	0.9
313.21542	1.4
313.24902	0.6
325.25565	0.6
327.22980	0.9
331.22867	0.9
339.26913	0.5
353.28421	1.7
359.25916	0.6
365.28687	0.8
367.26221	0.8
367.30276	0.8
371.25674	0.7
377.28403	1.1
378.18008	0.7
379.18442	1.4
383.29471	0.7
393.31546	2.7
395.29260	5.3
395.33273	0.5
405.31427	0.6
407.33124	1.9
411.32410	1.2
413.30362	8.6
417.31509	2.4
423.32217	3.2
425.34259	1.1
435.32507	8.2
441.27881	0.8
441.33545	4.9
453.33551	16.5
454.34244	1.1
459.27362	3.2
471.34570	13.7
472.34833	0.7
474.36572	0.9
475.37018	1.1
477.28610	2.7
477.34763	0.6
489.35669	35.0
490.36240	2.0
507.36920	1.3
593.33325	0.7
603.38788	5.9
621.39856	100.0
622.40118	6.7
639.20752	3.0
639.39667	0.9
639.79004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4092
Annotation	Beesioside B
Peak:m/z	Relative Intensity
50.40294	0.5
53.03928	1.7
55.01862	2.7
55.05502	7.7
57.03426	4.4
57.07058	1.9
59.05002	0.7
61.02909	5.5
61.36269	0.6
65.03912	1.2
67.05131	0.8
67.05492	16.5
69.07053	7.5
71.01340	2.2
71.04984	10.1
71.08619	0.6
71.79484	0.7
73.02902	32.7
79.05479	13.9
81.03403	8.4
81.07041	26.3
81.07530	1.1
83.04962	3.6
83.08600	5.8
83.69456	0.5
85.02892	7.1
85.06520	2.9
86.09644	0.6
87.04442	0.6
91.05460	12.8
93.07030	21.4
95.04945	6.0
95.08587	24.6
96.08875	0.7
97.02878	7.0
97.06511	3.1
97.10159	4.3
97.86752	0.5
99.04417	1.2
99.08082	2.5
103.05376	0.8
105.07009	22.9
107.04939	2.3
107.08571	25.4
108.62721	0.6
109.02874	2.1
109.06496	3.4
109.10140	21.8
110.10471	0.9
110.99953	0.5
111.04429	1.2
111.08045	3.4
111.11707	0.8
113.09589	0.7
114.09071	0.6
115.03923	5.5
115.05442	1.1
117.07005	5.5
119.07712	1.2
119.08563	23.8
120.08913	0.9
121.06481	3.0
121.10122	18.6
122.10472	0.7
123.04437	0.9
123.08046	6.1
123.11685	9.8
125.09613	8.1
127.03896	2.5
127.07549	1.1
127.11164	5.9
128.06224	1.2
129.06996	2.2
131.04929	0.9
131.08539	11.8
133.04962	0.9
133.06442	1.1
133.10098	21.1
134.10503	0.9
135.04443	0.6
135.08022	4.1
135.11665	11.8
137.05922	0.6
137.09584	4.4
137.13271	1.7
139.11174	1.9
141.06915	0.9
141.12691	1.4
142.07797	1.2
143.08554	4.7
143.10657	5.4
144.09268	1.0
145.06483	1.3
145.10092	17.2
145.11209	1.1
147.04370	1.3
147.08034	2.5
147.11659	15.4
148.12065	0.6
149.09581	3.8
149.13225	9.1
151.07462	0.9
151.11186	1.9
153.09073	0.6
153.12756	1.8
155.08525	2.5
156.09317	1.0
157.06448	1.0
157.10091	8.1
159.08066	1.2
159.11670	17.1
159.12927	1.0
160.12184	0.7
161.06001	0.6
161.09555	2.5
161.13226	14.1
161.14503	0.9
163.03973	0.7
163.11124	3.6
163.14815	2.5
165.09146	1.9
165.12738	1.7
169.10065	2.7
170.10834	0.6
171.08028	1.1
171.11661	6.9
172.12442	0.5
173.04456	1.8
173.09627	2.0
173.11688	0.7
173.13211	9.7
175.03600	0.6
175.11192	2.9
175.14798	6.9
177.09174	1.0
177.12778	2.4
177.16370	2.6
179.10628	0.9
179.14301	1.3
181.10107	1.2
181.12190	1.0
183.11658	4.4
185.09621	0.9
185.13248	6.5
187.11230	1.3
187.14781	8.6
189.11139	0.7
189.12712	1.8
189.16429	4.9
191.10666	1.4
191.14307	1.3
191.17923	1.6
193.12241	1.9
195.11679	2.3
195.13699	1.1
197.13222	3.4
199.11200	1.1
199.14777	4.5
201.12735	1.6
201.16336	6.0
203.10652	0.8
203.14311	1.0
203.17957	2.1
205.12254	0.9
205.15814	3.4
205.19371	0.6
209.11664	1.4
209.13338	1.5
211.11435	0.6
211.13205	1.7
211.14926	3.2
213.12854	0.9
213.16331	4.8
215.14278	2.6
215.18019	2.8
217.12015	0.7
217.15869	1.5
219.13776	1.3
219.17456	2.1
223.14804	1.9
225.12756	0.9
225.16388	1.8
227.12767	2.4
227.14641	1.0
227.17880	2.6
229.19539	0.8
231.13770	1.4
231.17494	1.6
233.13367	0.6
233.15431	2.5
233.18991	0.8
235.14847	1.0
237.16393	1.3
239.17886	1.0
241.19548	1.3
243.17491	1.2
245.15402	1.1
247.16954	2.0
251.18092	0.8
253.19513	1.5
255.17485	1.3
255.21028	1.1
257.18997	1.0
259.17029	0.7
259.20581	1.5
263.18045	0.6
267.15866	1.0
267.21216	1.3
271.20422	1.2
273.18524	2.5
273.21912	0.6
275.20364	0.6
283.15594	1.1
283.20578	1.2
285.22128	1.3
295.20483	1.2
297.22440	0.8
299.23651	0.8
301.21640	1.6
307.24118	0.8
309.22189	0.7
313.21613	2.1
315.23352	0.7
325.25226	0.9
327.23187	1.3
331.22623	0.6
335.27048	0.6
341.24780	1.1
353.28336	1.8
355.26428	0.9
367.26392	0.8
377.28345	1.3
381.31445	0.7
383.29459	1.4
385.23734	1.3
393.31558	1.8
395.29337	6.8
395.33356	0.7
401.30533	1.2
403.24741	1.5
405.31555	0.9
407.32837	1.2
411.27649	0.7
411.32864	1.2
413.30377	7.6
413.35373	0.6
417.31628	1.7
423.32245	4.8
435.32620	7.7
441.27332	0.8
441.33344	6.0
442.28479	0.6
453.33554	16.4
459.27405	8.1
471.34607	16.4
472.35281	0.7
475.36749	0.9
477.28387	7.3
489.35681	34.5
490.36353	1.0
507.36932	2.6
521.36285	0.6
603.38934	6.4
621.39917	100.0
622.40192	5.1
638.39795	0.7
639.33002	5.3
640.33777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.3
53.03938	9.8
55.01865	13.1
55.05501	36.2
56.56653	1.3
57.03427	15.7
57.07061	3.4
59.04991	3.1
60.19859	1.4
61.02910	2.8
65.03919	5.7
65.22349	1.4
67.05493	100.0
69.03415	36.2
69.07053	25.0
69.72755	9.5
71.01329	4.5
71.04980	17.0
73.02895	3.3
79.05478	58.9
80.05842	1.9
81.03403	97.8
81.07040	91.8
82.07352	1.7
83.01321	1.7
83.04967	28.9
83.08601	24.8
85.02888	26.3
85.06521	7.0
87.04452	2.2
88.75700	1.4
91.05465	51.9
92.05789	1.7
93.07028	66.9
94.07303	1.9
95.01262	1.4
95.04951	30.3
95.08592	34.6
97.02876	24.6
97.06516	14.3
97.10155	16.3
99.04427	12.0
99.08087	3.9
101.02351	2.5
103.03940	2.0
103.05460	2.4
105.07010	31.6
107.04951	16.1
107.08575	42.5
108.08912	1.5
109.02856	27.2
109.06501	15.3
109.10140	33.8
111.04419	14.0
111.08081	8.4
113.05973	4.1
115.05454	2.6
117.07000	18.4
119.04930	4.4
119.08559	25.7
121.06483	8.8
121.10124	23.6
123.04408	5.2
123.08029	6.1
123.11696	4.2
125.06033	1.9
125.09611	13.6
127.03902	17.9
129.05476	4.0
129.06996	9.1
131.04909	2.6
131.08545	21.8
133.06516	6.2
133.10101	19.9
135.04398	2.0
135.08028	7.3
135.11655	16.6
137.09596	5.3
141.06937	3.1
141.63670	1.2
143.08522	7.8
143.10602	2.1
144.05717	1.2
145.06451	4.8
145.10094	17.0
147.04373	7.2
147.07999	6.6
147.11644	13.8
148.04726	3.1
149.06003	2.6
149.09552	7.5
149.13223	12.5
151.11176	3.1
153.09108	2.6
153.12709	8.2
155.08537	4.3
155.10683	1.6
157.06415	1.5
157.10089	8.0
159.08012	3.2
159.11668	12.1
161.09592	3.6
161.13216	3.1
163.07468	2.1
163.11139	16.2
165.05374	1.6
165.09172	3.7
165.12720	4.5
169.10115	2.5
171.08011	1.6
171.11641	3.7
173.04437	30.6
173.09583	6.0
173.11723	6.2
173.13251	4.9
175.11165	4.1
175.14734	1.8
177.12715	5.9
179.10651	1.6
181.10161	1.4
181.12196	5.5
183.06534	4.1
183.11652	2.9
185.09502	1.6
185.13242	3.8
187.14848	1.6
189.11151	6.2
191.10619	8.7
193.12141	6.3
195.11961	2.1
195.13766	11.3
197.13400	1.6
199.06096	1.7
199.11147	1.3
199.13208	2.2
199.14864	2.0
209.11690	16.4
211.13144	5.9
213.14780	2.5
215.14342	2.3
225.11162	3.5
227.12733	20.4
227.14781	2.0
229.12096	1.4
229.14268	4.6
233.15269	3.2
235.13206	1.7
241.14307	1.7
247.13298	1.6
249.15053	2.1
251.16357	1.8
253.17979	3.1
265.14307	4.2
267.15848	9.1
269.17429	19.4
270.17923	1.6
273.14871	1.7
273.18582	2.0
275.16989	1.3
275.20065	5.3
281.13788	2.9
283.15387	12.0
285.17065	3.5
289.14252	1.8
291.19504	7.0
303.15936	3.7
311.18991	1.4
321.16699	2.4
335.14856	2.0
339.17975	4.1
347.22159	2.5
353.15918	4.5
366.96503	1.3
371.17117	2.4
377.19608	3.1
385.23898	1.7
395.19980	1.5
403.24622	1.7
409.18512	3.4
413.21606	2.2
423.27335	16.4
427.19583	7.7
449.28879	4.6
459.27524	13.5
477.28372	30.2
495.29324	7.1
519.29315	3.0
529.28125	1.7
567.31128	2.1
585.30219	3.4
595.31146	2.5
603.31439	6.3
621.32416	22.0
621.40875	2.0
622.32892	1.8
639.33496	57.3
639.42352	7.4
640.34113	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	638.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35486	1.7
53.03926	4.3
55.01855	4.5
55.05505	40.2
57.03426	14.9
57.07070	17.5
65.76685	1.3
67.05140	2.2
67.05498	43.0
69.03397	1.9
69.07060	56.4
71.04967	2.5
71.08624	13.4
71.29076	3.8
79.05485	32.0
81.03401	2.9
81.07045	48.6
81.28649	1.4
83.04994	8.3
83.08610	43.8
85.06505	3.4
85.10160	5.9
85.42867	1.4
89.06011	8.2
91.05463	29.6
93.07028	41.2
95.04948	11.2
95.08599	26.7
97.06534	10.3
97.10150	26.7
99.08071	2.7
105.07030	22.1
107.04922	5.2
107.08588	21.1
109.06493	3.1
109.10127	9.3
109.18129	1.4
110.10425	1.5
111.08069	2.9
111.11681	6.0
115.05434	1.5
117.07011	10.7
119.08582	20.8
120.46760	1.5
121.06501	2.7
121.10136	16.0
123.08042	4.0
123.11660	5.3
125.09629	2.6
128.06218	1.9
129.07013	3.7
131.08563	13.8
133.06476	1.8
133.08583	3.6
133.10120	17.1
135.08034	4.0
135.11693	12.6
137.09557	3.3
143.08525	3.5
145.10086	9.9
146.10506	1.3
147.08040	1.7
147.11697	9.0
149.09608	6.2
149.13287	7.9
151.11134	1.8
155.08588	1.8
157.10101	4.1
159.11729	9.4
161.13242	1.6
163.11137	4.2
163.14816	1.4
171.11647	3.0
173.13220	3.2
177.12727	4.4
181.94113	1.4
187.11295	1.5
195.13800	5.6
199.14857	1.8
217.15906	2.2
227.12675	2.5
229.19531	1.7
237.22083	3.7
239.17981	1.7
251.16397	2.1
255.15794	8.6
257.18915	6.3
265.21741	1.7
267.15826	2.8
269.17453	12.2
273.18005	1.7
275.19995	24.2
290.18436	1.9
291.19492	4.8
311.25763	69.2
313.27411	2.8
314.27765	1.7
331.22580	2.1
349.23721	20.2
367.24875	2.5
450.38150	1.8
491.37247	30.5
505.38824	100.0
506.39444	3.2
545.41595	2.1
567.44391	1.9
585.44965	24.1
603.45630	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2802
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.06293	0.8
55.05498	1.8
57.07064	1.8
67.05493	3.0
69.04531	2.8
69.07056	1.7
69.47938	10.3
71.08617	1.5
79.05493	1.4
80.30141	1.0
81.07050	3.1
81.96888	0.8
83.08600	1.5
91.05457	0.8
93.07046	2.5
95.08603	2.7
97.10150	1.3
98.20718	1.9
105.07025	1.0
107.08625	1.4
109.10161	2.2
119.08558	1.4
131.08511	1.2
258.25845	0.9
377.17554	1.8
378.18219	1.2
390.18466	1.3
391.19098	4.3
392.19958	3.6
400.20157	1.0
403.19235	1.2
404.19867	1.6
405.20645	8.0
406.21579	3.7
407.22116	10.1
419.22391	3.7
420.23065	3.6
421.17786	1.8
421.23782	16.1
422.17465	1.1
422.24628	3.4
431.22672	1.3
433.23950	3.0
434.24683	1.7
435.17963	2.1
435.25543	1.3
436.19025	1.9
445.20142	2.6
447.21390	2.2
449.19357	1.1
450.20844	1.8
451.21243	14.1
452.22104	4.1
463.21420	1.9
464.22461	1.4
465.22809	19.8
466.23593	2.5
473.19467	1.4
477.22644	1.5
479.24243	1.8
487.21338	2.8
491.21475	1.1
493.25906	1.5
501.22574	2.0
503.24420	12.2
507.27438	11.0
508.28473	2.5
523.23358	3.8
527.37561	1.0
533.25323	1.2
535.27002	12.9
537.24866	10.8
551.26404	6.6
552.27289	15.5
561.24847	4.3
579.25946	7.5
580.25891	2.2
595.29126	6.2
607.24963	1.2
621.26941	15.1
639.27991	100.0
640.28204	3.6
657.43469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
55.05486	0.3
56.05020	0.1
59.04993	0.1
60.07075	0.1
60.33522	0.1
65.03897	0.1
67.05474	0.3
68.05025	0.8
69.03397	0.2
69.05807	0.5
69.67101	0.8
70.06579	7.1
70.94266	0.1
71.04980	0.2
72.08136	0.8
73.02906	0.2
77.03921	0.1
79.05466	0.3
80.04958	0.1
81.03398	0.2
81.07030	0.3
83.04958	0.1
83.08640	0.1
85.02888	0.2
91.05466	0.8
91.06283	0.1
93.07017	0.9
95.04946	0.3
95.08595	0.2
97.02859	0.2
100.07614	0.7
103.05428	0.7
104.04986	0.1
105.07004	1.6
106.06525	0.2
107.04965	0.1
107.08569	0.3
109.02847	0.2
109.06467	0.1
109.10140	0.2
111.04394	0.1
115.05436	0.2
117.06989	0.3
118.06503	0.6
119.07294	4.9
119.08552	0.2
120.08080	22.6
121.08424	0.3
121.10116	0.3
123.11605	0.2
124.03883	0.1
125.09695	0.1
127.03945	0.1
129.07011	0.1
130.08595	0.3
131.07260	0.1
131.08553	0.1
132.08096	0.3
133.06520	0.1
133.10121	0.3
134.06007	11.9
134.09624	100.0
135.06775	2.7
135.09964	1.3
135.11671	0.3
137.09599	0.2
143.07167	0.1
145.04958	0.1
145.06448	0.1
145.10034	0.1
147.11661	0.1
157.06384	0.1
157.10081	0.1
159.08005	0.2
159.09145	0.2
159.11647	0.1
160.07645	0.1
161.13220	0.1
163.08661	0.3
169.06551	0.1
171.10417	0.6
172.11172	0.6
174.09106	4.8
175.09587	0.1
175.14757	0.2
184.07455	0.1
186.09100	2.6
193.15851	0.1
203.11749	6.1
204.12138	0.1
211.16856	0.2
233.16443	15.3
234.16835	0.5
261.15939	8.9
262.16245	0.2
281.12872	0.5
282.13629	0.2
288.90414	0.1
321.15829	0.2
350.18546	9.5
351.18958	0.2
375.09012	0.1
378.18042	35.3
379.18408	1.3
440.36230	0.1
477.24744	0.6
505.24432	0.4
620.40906	0.2
638.33545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01870	4.3
55.05503	23.3
57.03423	10.7
57.07064	31.9
67.05173	4.0
67.05495	31.9
69.03413	7.7
69.07060	28.9
71.04982	2.2
71.08617	19.6
71.79964	2.3
71.80350	2.5
79.05482	19.7
81.03401	5.1
81.07042	28.4
83.04969	4.8
83.08617	12.8
85.10159	12.1
91.05451	17.6
93.07035	21.3
95.04933	8.2
95.08591	24.6
97.02859	5.4
97.06507	3.1
97.10149	10.6
99.16750	1.9
105.07008	18.6
105.74368	2.0
107.04914	6.0
107.08591	14.9
109.06511	4.4
109.10147	17.7
117.06985	5.3
119.08569	10.9
121.06448	4.5
121.10130	5.0
123.08070	2.9
123.11706	4.3
125.09613	5.9
129.06976	4.3
130.16928	2.1
131.08519	7.6
133.06462	3.6
133.10158	8.9
135.08017	2.7
135.11737	3.2
143.08502	4.4
145.10115	6.4
147.08047	5.3
147.11644	3.1
149.09634	3.5
151.11197	3.9
157.10129	2.1
159.11685	2.5
161.09657	3.8
175.11197	2.1
189.11214	2.9
223.13290	17.3
227.12718	5.4
249.14659	2.8
251.12845	1.9
252.72134	1.9
253.14268	13.6
263.20120	2.1
273.18463	14.1
287.19440	1.9
291.19492	100.0
296.24460	1.9
313.27304	77.5
315.44052	2.0
347.22247	4.6
365.23209	47.6
480.97656	2.5
585.45074	3.1
603.36841	4.3
603.46130	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	638.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77904	0.3
51.02370	0.4
53.03939	1.5
55.01868	1.0
55.05507	3.0
57.03424	0.7
57.07071	1.4
58.06588	0.6
58.30383	0.4
61.02924	1.1
61.42621	0.3
65.03926	1.0
67.05498	2.3
68.99780	0.5
69.03424	5.4
69.07063	7.0
69.66357	2.7
70.06573	1.3
71.04987	1.9
72.08125	0.4
73.02903	1.1
77.03896	0.4
78.92999	0.4
79.05486	5.1
81.03408	6.2
81.07044	7.2
83.04971	0.7
83.08602	1.5
84.08111	0.4
85.02890	7.4
86.09697	1.0
87.00823	1.7
87.04471	0.3
89.03902	0.7
91.03923	0.3
91.05466	6.3
93.07029	9.0
95.04957	1.5
95.07986	0.8
95.08595	12.3
97.02880	6.2
97.06490	0.7
97.10149	0.4
98.20748	0.7
99.02666	0.4
99.04459	1.8
99.08077	2.9
100.11234	1.1
103.05463	0.9
105.01839	2.2
105.07017	32.1
106.02921	0.6
107.04945	1.1
107.08582	13.2
107.47890	0.3
108.08870	0.4
109.02148	0.7
109.02867	10.7
109.06493	0.7
109.10155	2.4
111.04408	0.8
113.09634	2.3
114.09181	0.7
115.03948	0.4
116.07106	0.5
117.03370	1.9
117.07001	1.6
117.55978	0.3
119.08567	44.4
120.08117	0.4
120.08864	0.4
121.10144	4.0
123.04413	0.7
123.08036	0.6
123.11675	3.2
124.03936	2.4
124.07598	0.4
125.02381	0.4
127.03896	10.7
129.01831	1.0
130.08607	2.0
131.04936	0.5
131.08527	1.1
133.10114	50.0
134.10461	0.6
135.04366	0.5
135.11678	17.6
136.03899	0.4
137.05966	1.1
137.09627	2.7
138.05438	0.6
140.07053	0.4
141.01797	1.6
145.02821	5.3
145.04918	2.7
145.10110	1.8
146.08105	0.5
147.02841	0.6
147.04369	1.4
147.11659	4.7
148.11151	0.5
149.05957	0.5
149.13271	1.2
151.03889	0.6
151.14854	0.5
159.02859	1.2
160.12404	1.1
161.05963	0.6
163.03865	1.4
164.06979	0.5
167.06981	0.5
173.13242	0.8
175.03850	0.5
175.14803	100.0
176.15152	2.3
177.05434	10.9
177.16315	0.6
178.05760	0.4
181.04967	0.5
189.05423	0.4
193.04930	0.4
193.15871	7.9
199.11409	0.3
201.03870	0.4
207.06485	1.0
213.03876	1.5
231.04892	2.5
232.00563	1.6
233.00638	0.7
249.06061	0.8
273.05917	0.6
291.07031	0.6
300.10681	1.2
321.09546	0.4
325.10550	1.2
339.06985	1.2
339.10641	0.6
357.08133	3.6
357.81393	0.4
366.17859	0.4
375.09146	5.4
393.10083	1.8
466.07739	0.8
467.07355	0.5
492.02628	0.4
555.27673	0.9
638.25281	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	638.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14944	0.4
53.03930	1.0
54.37564	0.5
55.01857	1.2
55.05502	2.8
57.03415	1.1
57.07045	0.6
59.04983	1.0
59.39224	0.5
59.84575	0.4
60.40106	0.6
61.02902	1.5
67.05498	4.2
68.99774	1.6
69.03416	5.6
69.07034	1.9
70.06565	1.3
71.04968	2.6
73.02895	1.8
73.46667	0.5
79.05483	6.1
81.03408	6.7
81.07037	6.6
83.04943	1.9
83.08595	0.7
84.08125	0.8
85.02891	20.0
85.06538	0.6
86.09688	1.7
87.00813	5.6
91.03949	1.0
91.05464	5.5
93.07033	5.2
94.07358	0.8
95.04961	3.2
95.08572	3.9
96.08083	0.5
96.08916	0.8
97.02866	4.2
97.06510	0.9
97.30316	0.6
98.21508	1.5
99.04430	1.9
103.05450	15.4
103.43317	0.5
105.07008	10.8
107.04924	6.9
107.08575	6.8
109.02855	8.6
109.06537	2.8
109.10123	3.8
109.73927	0.5
110.10400	0.7
111.08041	0.5
114.09138	1.8
115.05431	0.7
117.06977	2.0
119.04939	0.6
119.08565	13.7
120.08102	0.6
120.08923	0.6
121.02808	0.7
121.06480	8.9
121.10123	5.3
122.10468	0.8
123.08053	1.7
123.11686	13.7
125.05952	1.5
125.09606	1.2
127.03894	12.0
128.06137	0.9
129.01804	1.6
129.07005	1.8
130.07758	1.4
130.08636	2.2
131.04906	11.1
131.08566	3.9
133.06470	6.0
133.09189	0.5
133.10075	3.2
135.08051	1.4
135.11650	2.6
137.05954	1.1
137.09587	1.7
137.16148	0.5
141.01794	1.2
141.06935	0.9
142.07738	0.6
143.08537	1.7
143.10620	1.1
145.02779	0.5
145.04893	1.7
145.06346	0.6
145.08974	0.4
145.10088	16.5
147.04370	2.1
147.08032	2.5
147.11662	25.7
148.12085	0.8
149.05952	6.1
149.09601	2.8
150.84808	0.6
151.07478	1.4
151.11198	0.7
155.08485	0.6
156.09332	4.5
159.08032	1.6
159.11685	1.0
161.09605	1.1
161.13283	1.8
163.03882	1.1
163.11172	0.8
165.12741	0.8
167.06995	0.6
167.10750	0.6
171.11653	4.4
173.09567	1.0
173.13176	0.7
174.10374	1.6
175.07545	0.8
175.14786	1.1
177.05472	0.9
177.16344	1.0
179.14264	0.7
181.04877	0.6
185.13258	0.8
189.12714	100.0
190.13034	2.6
193.15868	1.0
207.06479	2.4
207.13773	26.6
208.14310	0.6
213.03784	1.5
217.04886	1.9
225.14778	1.9
229.08482	1.0
231.04959	1.7
235.06038	3.1
238.61449	0.6
253.07047	3.3
275.09012	0.7
361.09131	1.5
379.10028	4.4
456.35434	0.7
470.33490	0.6
473.36136	1.5
474.36401	2.8
476.27106	1.3
620.41461	1.0
638.39636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4299
Annotation	Ginsenoside Rh9
Peak:m/z	Relative Intensity
53.03933	2.4
55.01859	1.5
55.05502	7.7
57.03423	4.3
57.07058	2.6
59.04974	1.7
61.02906	3.8
62.04200	1.0
65.03933	1.1
67.05499	14.3
67.63970	0.7
68.64397	0.8
69.03422	13.6
69.07055	9.0
69.75987	5.8
71.04986	15.9
71.08629	0.9
73.02901	2.3
73.06534	1.0
79.05478	10.9
81.03413	9.2
81.07045	26.6
82.01382	0.8
83.04964	3.1
83.08611	5.9
85.02891	33.6
85.06534	2.2
87.04453	1.5
91.03943	1.4
91.05467	11.7
93.06431	0.8
93.07029	21.5
95.04942	3.8
95.08594	26.9
97.02880	14.0
97.06499	2.7
97.10147	4.7
99.04443	2.3
99.08086	4.8
105.07023	17.3
107.04924	2.3
107.08576	39.7
107.09312	2.0
109.02861	4.2
109.06487	3.2
109.10141	28.2
111.08065	2.8
111.11699	1.2
113.09676	1.0
115.05363	0.9
117.07009	3.3
119.04880	1.7
119.08558	18.9
121.06540	2.0
121.10123	28.6
122.10432	0.9
123.08043	1.7
123.11680	15.3
125.05955	1.2
125.09622	12.8
126.81418	0.8
127.03918	4.9
127.07522	2.8
127.11171	3.6
129.06993	1.9
131.08542	9.0
133.10107	18.8
135.08043	8.2
135.11665	22.1
137.05943	1.4
137.09575	5.4
137.13246	3.4
139.11147	1.5
143.08542	2.8
143.10655	18.1
145.04955	3.6
145.06451	1.0
145.10109	15.3
147.04405	2.8
147.08028	1.6
147.11662	14.4
149.09586	11.8
149.13208	9.9
151.11160	3.7
151.14844	1.1
153.12726	1.6
157.10110	5.5
159.11676	12.1
161.09677	2.1
161.13243	9.7
163.11194	2.2
163.14804	6.7
165.09114	1.0
165.12724	1.6
167.10622	1.8
169.10139	1.6
171.11658	4.7
173.04283	0.8
173.11929	1.2
173.13254	6.9
175.11105	1.9
175.14812	7.0
177.12723	1.2
177.16360	2.6
179.14290	2.1
183.11646	2.2
185.13223	3.0
187.14806	9.1
189.16360	8.9
191.14278	1.5
191.17915	37.4
193.15842	0.9
197.13339	0.9
199.14783	4.9
201.16350	9.1
203.14230	1.2
203.17947	8.0
205.15900	1.4
207.17436	1.4
209.15396	1.4
211.14848	1.4
213.16338	5.7
215.14362	1.2
215.17967	4.3
217.15811	8.0
217.19482	3.4
219.17484	1.4
219.21071	0.9
225.16391	1.0
227.17920	1.6
229.15933	1.4
229.19539	2.1
231.17397	8.2
233.15335	3.2
233.19038	1.3
235.16821	2.8
243.17586	1.1
243.21078	1.1
249.18456	3.8
255.20900	1.1
257.22604	3.2
259.20383	1.3
281.17355	1.2
281.22577	1.4
283.20648	1.1
287.23651	0.9
299.23563	1.2
335.27225	2.4
341.28424	2.3
349.28842	1.1
351.26575	1.6
351.30408	2.0
371.29349	1.6
397.34546	1.6
399.24896	0.8
403.33490	2.2
421.34589	26.0
422.35019	1.3
429.22610	1.3
439.35678	47.0
455.34961	1.7
457.36725	8.2
473.36041	2.4
475.30624	1.1
475.37738	1.2
486.77954	0.9
531.36835	1.3
601.40906	6.5
619.41986	100.0
620.42151	2.1
637.31274	4.8
638.32410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4293
Annotation	Ginsenoside Rh9
Peak:m/z	Relative Intensity
53.03933	2.5
55.01857	3.8
55.05499	12.1
57.03428	6.7
57.07049	3.4
59.04975	1.6
61.02916	6.1
62.53716	1.1
63.24741	1.1
65.03909	1.7
67.05489	23.5
69.03414	17.5
69.07058	15.5
69.45869	10.7
69.46281	3.5
71.01339	1.6
71.04976	29.4
73.02893	4.3
79.05473	19.0
79.52776	1.3
81.03405	18.0
81.07039	36.0
83.04964	9.2
83.08593	11.6
85.02886	54.5
85.06527	7.4
87.04453	2.1
87.98008	1.1
91.03946	3.2
91.05457	21.0
93.07022	31.7
95.01262	1.4
95.04941	12.3
95.08591	34.8
96.08921	1.6
97.02877	17.5
97.06519	4.7
97.10160	6.2
99.04433	3.7
99.08057	7.5
103.05428	1.4
105.07012	25.4
106.07346	1.6
107.04942	5.1
107.08569	50.9
108.08927	1.5
109.02852	7.8
109.06508	4.3
109.10131	32.7
110.10435	1.3
111.04425	5.3
111.08052	5.2
111.11711	1.9
113.31635	1.3
115.05394	2.0
117.06988	5.8
119.08562	26.0
120.08847	1.4
121.06509	3.7
121.09248	1.9
121.10120	33.8
122.10501	1.6
123.04420	2.7
123.08064	3.0
123.11662	19.0
125.06022	1.2
125.09601	18.6
127.03898	9.0
127.07542	3.8
127.11168	4.8
128.06264	1.4
129.05444	2.2
129.06979	4.2
131.08536	12.6
133.06461	1.3
133.10092	26.5
134.10547	1.6
135.08011	12.6
135.11665	25.8
135.12628	2.4
136.11929	1.8
137.05942	1.3
137.09576	7.0
137.13269	3.9
139.11180	2.2
142.07742	2.2
143.08551	3.6
143.10643	24.2
145.04958	4.9
145.06476	1.4
145.10097	24.0
147.04402	3.8
147.08054	2.1
147.11687	17.2
149.05969	1.3
149.09589	19.0
149.13223	14.9
151.11182	7.0
153.12718	2.3
154.41170	1.5
157.10178	9.0
159.11673	20.9
161.05844	1.8
161.09573	2.1
161.13226	10.7
162.13635	1.4
163.03842	1.5
163.07526	1.3
163.11177	3.7
163.14806	7.1
165.12708	2.0
167.10744	1.9
167.14336	1.6
169.10071	1.6
171.06488	7.9
171.07884	1.5
171.11644	6.2
173.09563	1.7
173.13205	8.8
175.11105	2.8
175.14830	6.9
177.09108	1.9
177.12764	2.6
177.16342	3.5
183.11722	2.7
185.13254	4.9
187.13350	1.9
187.14761	8.7
189.05377	3.1
189.09065	1.5
189.12640	1.6
189.16342	9.5
191.10643	1.6
191.14293	2.2
191.17906	41.2
193.12196	1.8
197.13271	2.4
199.14737	6.3
201.16377	9.7
203.17909	8.5
205.15842	2.5
207.17403	2.7
209.15419	1.8
213.16338	7.3
215.14301	1.5
215.17931	3.8
217.15889	9.0
217.19516	4.5
219.17517	1.7
227.18016	2.1
229.19466	1.3
231.17427	10.0
233.15370	4.7
233.19028	1.9
235.13277	1.7
235.16878	4.6
241.19502	1.4
243.21190	1.7
249.18614	3.4
255.21065	1.4
257.22638	3.0
259.13266	1.8
259.20685	2.2
265.19214	1.7
273.14777	4.6
281.22595	2.0
293.22592	1.4
299.23752	2.4
301.14404	4.2
315.26993	1.4
319.15347	1.9
323.27319	1.7
341.28253	2.8
351.30493	3.0
369.31662	1.7
375.17899	2.3
403.33533	3.6
421.34552	29.3
437.33987	2.0
439.35663	49.1
440.35916	1.8
443.27945	2.5
457.36932	8.2
461.28778	4.4
473.36063	5.3
531.36890	1.6
587.31830	2.3
601.40875	7.7
619.41968	100.0
620.41724	4.1
637.35089	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	637.4299
Annotation	Ginsenoside Rh9
Peak:m/z	Relative Intensity
52.86805	0.7
53.00270	0.8
53.03934	1.3
54.57311	0.6
55.01856	1.1
55.05494	4.3
56.08703	0.7
57.03427	8.9
57.07061	1.0
59.04980	0.8
59.25071	0.8
61.02916	1.1
65.11775	0.7
67.05241	0.6
67.05499	7.1
69.03406	4.2
69.07057	4.4
70.32159	3.6
71.01316	0.9
71.04977	70.0
73.02905	2.3
75.04474	3.2
79.05497	5.7
81.03411	1.8
81.07039	15.2
83.04968	5.9
83.08595	3.0
85.02888	75.8
85.06532	2.0
87.04469	2.6
91.05445	6.0
92.42538	0.7
93.06466	1.3
93.07017	9.4
93.99350	0.7
95.04964	2.1
95.08585	16.3
97.02878	2.4
97.06487	1.6
97.10133	3.3
99.04418	1.3
99.08085	5.0
105.07000	12.3
107.08574	26.5
109.02893	0.8
109.06527	2.2
109.10133	13.2
111.04415	3.0
111.08064	1.7
117.07050	1.1
119.08554	11.2
121.10116	18.0
123.08079	1.5
123.11688	6.3
125.09616	14.4
127.03920	1.7
127.07544	1.5
127.11184	3.3
129.05466	14.8
131.08553	6.7
131.28133	0.8
133.10110	13.2
135.08017	8.3
135.11650	7.3
137.09543	3.6
137.13269	1.0
139.11226	1.2
140.88058	0.7
143.08554	2.1
143.10652	22.7
143.11714	1.4
145.04900	2.0
145.10097	12.0
147.06499	3.1
147.11652	8.7
149.09589	14.7
149.13220	10.9
151.11140	3.1
157.10133	3.7
159.11638	9.8
161.09598	1.5
161.13220	10.3
163.06000	0.8
163.11172	2.2
163.14821	2.2
165.12831	0.7
167.10698	1.3
167.14278	0.8
167.32306	0.7
169.10132	1.3
171.11700	2.4
173.13222	7.1
175.11142	1.2
175.14738	3.5
177.12791	0.9
177.16420	3.9
183.11774	0.8
185.13283	3.2
187.14787	6.6
189.16376	9.1
191.14346	2.2
191.17921	6.0
197.13246	1.4
199.09663	1.2
199.14867	3.2
201.16360	4.7
203.14368	1.2
203.17871	3.7
205.15820	3.7
207.17442	4.4
209.15363	1.3
211.14911	1.4
213.16377	4.7
215.17923	3.8
217.10722	4.0
217.15816	7.7
217.19479	1.6
219.17413	2.2
225.16353	1.1
227.17902	1.0
229.14197	0.9
231.17418	5.9
233.15332	3.5
233.19060	1.3
235.16940	3.2
237.16513	1.0
239.17874	1.3
241.19437	1.0
245.18980	1.0
249.18445	2.1
253.19420	1.1
271.20590	0.9
299.23660	1.3
313.25275	1.8
325.25015	1.0
333.25940	1.1
339.26849	1.9
357.27560	1.0
367.30151	1.3
379.29709	5.5
395.33731	0.9
397.25922	1.3
397.30908	9.9
407.33176	3.6
419.32986	7.5
421.34686	3.9
422.17682	0.9
425.34039	8.8
437.34103	22.6
438.34012	0.9
439.35608	6.0
440.27179	1.0
455.28687	1.8
455.35138	33.3
456.35797	2.0
457.36530	1.2
473.36163	16.3
474.36917	0.9
491.37344	1.2
531.36768	1.4
583.39502	1.2
601.07831	0.8
601.40924	8.7
619.41949	100.0
620.42139	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	637.3934
Annotation	12beta-Hydroxycimigenol 3-O-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
53.03937	2.4
55.01855	4.2
55.05504	11.7
57.03426	12.8
57.07069	3.1
59.04985	3.6
61.02923	7.9
65.03942	2.4
67.05492	27.7
68.05828	2.2
69.03418	11.8
69.07052	14.1
69.52228	0.9
71.01356	2.9
71.04985	19.1
73.02901	44.5
73.19741	1.0
74.03246	1.2
74.09691	1.5
79.05483	14.6
81.03408	9.1
81.07040	32.3
82.07391	2.0
83.04966	34.5
83.08608	8.3
85.02889	23.3
85.03380	1.9
85.06534	5.2
87.04464	2.7
91.03941	1.5
91.05460	19.1
92.05840	2.1
93.07026	31.3
94.07355	2.4
95.04961	8.8
95.08591	44.6
95.09179	2.7
96.08920	1.6
97.02863	9.4
97.06526	4.7
97.10151	5.4
99.08099	3.3
101.43359	1.0
103.05476	1.6
105.07008	35.2
105.07701	2.0
106.07362	2.4
107.04935	2.5
107.08574	39.4
109.02862	2.0
109.06494	7.9
109.10136	43.7
110.10468	2.5
111.08066	5.7
111.11694	1.3
113.05981	2.1
113.09635	3.7
115.03918	8.6
117.07014	7.4
119.08565	33.4
120.08900	3.4
121.06482	5.8
121.10121	30.8
121.10947	2.3
122.07276	1.3
123.04394	1.9
123.08045	22.9
123.11683	14.3
124.11967	1.1
125.09615	9.1
127.03902	3.0
127.11185	4.8
128.06273	1.4
129.05432	2.2
129.07010	3.3
130.07762	1.4
131.08556	18.1
133.04980	2.9
133.06467	2.3
133.10100	33.4
134.10498	2.6
135.08022	8.3
135.11661	24.6
136.12064	1.6
137.05978	1.6
137.09592	100.0
137.13264	4.2
138.09967	3.9
139.11208	2.8
141.06978	2.0
141.09093	7.3
142.07762	2.4
143.08521	10.1
143.10637	6.7
145.04933	1.3
145.06522	2.1
145.10097	25.0
147.04430	2.0
147.08041	3.8
147.11665	24.5
148.12015	1.3
149.09575	7.1
149.13223	10.7
151.07581	1.9
151.11156	4.7
153.12769	1.8
155.08574	4.1
156.09317	1.6
157.10088	15.1
158.10715	1.9
159.08102	4.4
159.10229	3.7
159.11653	22.9
160.12076	1.9
161.09546	6.4
161.13234	17.0
163.11169	5.0
163.14845	4.9
165.05499	1.5
165.09131	2.5
165.12756	2.3
167.10672	1.3
169.10172	5.0
171.11658	10.5
172.12259	1.1
173.09656	3.1
173.11812	2.2
173.13289	11.7
175.07576	1.6
175.11234	4.7
175.14822	7.2
177.09122	2.3
177.12788	4.1
177.16423	3.7
179.10683	5.2
179.14279	1.6
181.10138	2.1
181.78200	1.2
183.11754	4.3
185.09573	1.6
185.13271	9.8
187.11185	2.7
187.14764	8.6
189.08957	1.4
189.12785	3.5
189.16327	8.3
191.14394	1.9
191.17937	7.2
193.12289	4.0
194.12479	1.9
195.11684	3.1
196.12134	1.2
197.13298	4.5
199.11215	2.6
199.14764	8.6
201.12715	1.7
201.16338	11.7
203.14323	3.2
203.17935	5.4
205.12265	1.5
205.15884	3.9
209.13307	3.7
211.13177	2.4
211.14876	4.4
212.13638	2.0
213.12761	3.0
213.16286	6.0
215.14326	3.5
215.17937	3.9
217.15846	2.9
217.19582	1.4
223.14813	2.1
225.12956	1.6
225.16383	3.4
227.14351	2.2
229.12360	2.0
229.14407	4.3
230.14737	2.8
231.13863	2.1
231.17435	1.9
233.15384	2.6
237.16341	2.0
239.17857	1.8
241.15878	1.2
241.19461	6.7
243.17442	1.8
243.21104	2.2
245.15472	1.9
251.17982	2.4
253.19543	2.5
255.21170	2.5
257.19043	1.7
259.20563	8.5
267.21017	1.3
269.19125	2.7
271.16986	1.5
271.20474	2.2
273.18381	1.5
279.20969	2.9
281.19199	2.0
281.22610	3.0
285.17050	1.8
286.17480	2.1
291.20923	2.2
293.22482	1.6
295.20807	1.2
297.22141	2.7
299.23596	2.1
301.21716	2.0
307.20831	1.6
309.22159	4.4
311.23746	1.4
313.21527	1.8
315.19717	5.8
315.23065	1.8
325.25354	1.2
327.23343	2.2
329.24887	1.8
355.22617	3.6
365.24615	1.6
367.26395	1.9
373.23749	2.9
381.27924	3.7
393.27850	4.9
397.26273	2.5
399.28928	1.6
405.31500	1.4
411.29010	4.6
421.30322	1.7
421.35294	2.9
422.26050	1.9
423.32516	2.1
433.31021	6.5
437.34250	4.2
439.26505	1.9
439.36642	7.3
440.27094	12.0
440.37018	1.3
451.31949	24.3
452.32553	2.6
455.35257	10.6
457.33035	3.8
469.33032	32.3
469.39294	1.9
470.33392	1.5
473.36194	92.0
474.36606	6.2
475.27432	1.8
487.33945	24.1
488.35004	1.8
491.37070	18.8
505.35172	18.7
519.41962	1.3
565.34662	1.3
601.37799	2.6
619.38190	48.5
620.39203	4.2
637.39471	74.7
638.39911	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	637.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.2
57.07065	2.6
67.05484	5.3
69.07057	2.1
71.08603	2.4
71.79958	1.0
79.05484	1.6
81.07064	4.0
83.08607	2.6
85.10152	1.0
91.05450	2.5
93.07038	3.3
95.08581	3.8
97.10153	2.1
97.29646	0.8
105.07013	1.9
107.08590	2.1
109.06487	0.9
109.10149	3.7
117.07027	1.5
119.08549	1.5
121.10080	0.9
124.85603	0.7
125.09560	0.9
131.08531	1.9
133.10170	1.3
143.08569	1.1
145.10043	2.2
149.13234	0.8
157.10143	1.1
159.11775	1.5
164.02596	0.9
171.11601	1.2
190.35901	1.0
209.10637	0.8
221.10744	1.0
223.12271	2.1
224.26643	0.8
225.13829	1.6
235.12334	1.1
237.13832	1.7
289.17892	1.5
311.13959	0.9
311.26013	1.4
313.27460	2.7
389.17627	1.1
417.17188	1.5
419.18344	1.1
431.18915	1.6
432.19424	2.0
433.20367	3.3
447.22144	4.6
448.22824	1.1
459.22119	1.5
461.19446	1.8
475.21088	8.3
476.22067	9.4
481.38846	1.6
489.22870	1.0
493.21881	1.4
503.20639	1.2
519.24341	1.4
519.32867	1.1
525.41345	4.0
533.21631	1.3
534.26978	1.1
535.22754	5.4
547.23694	2.7
549.24475	1.1
562.25983	7.0
563.26691	3.7
577.28369	4.4
584.44208	1.4
622.27612	3.1
637.30121	100.0
638.30078	4.8
642.08130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79802	0.6
71.80005	0.9
79.40848	0.5
79.87737	0.6
81.07024	0.7
83.29896	0.7
93.07029	0.7
98.20712	0.7
102.26105	0.5
105.06998	0.6
109.10185	0.6
110.00281	0.6
123.11784	0.6
128.79857	0.7
189.72948	0.6
274.93579	0.6
310.25879	0.6
403.19464	1.1
415.19189	1.7
416.19998	0.8
417.21069	1.6
419.22650	1.1
429.16833	1.1
430.17709	1.7
431.17670	2.7
432.18500	0.8
432.23615	0.8
433.19864	0.8
443.18713	2.1
444.19003	2.8
445.20041	9.1
446.20868	2.5
447.22095	1.1
457.20258	1.3
458.20966	7.8
459.21704	5.7
460.22568	5.1
461.19244	3.3
473.23502	1.1
475.21304	2.2
476.22299	1.6
477.23065	2.0
491.24286	1.9
517.22772	0.9
518.23010	5.9
531.24030	0.7
533.25641	3.5
535.23151	1.1
545.25378	2.7
546.26532	2.6
549.24969	1.1
563.26257	1.1
573.24628	1.0
577.28033	3.4
605.27576	15.0
606.27759	0.8
637.30103	100.0
638.30438	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.0
67.05494	1.5
69.07054	0.9
70.11732	2.0
70.12147	1.0
74.36246	0.5
79.05479	1.1
81.07036	1.6
89.10403	0.5
91.05460	1.3
93.07033	1.4
95.08598	1.0
98.20712	0.6
102.24921	0.5
105.07039	0.8
107.08633	0.8
109.10197	0.6
119.08521	0.6
129.34294	0.5
160.15779	0.6
165.05460	0.8
167.69136	0.5
177.09271	0.6
205.08575	1.0
206.08958	0.6
223.09695	2.0
224.10004	0.7
313.27460	0.6
374.16415	0.5
390.18842	0.7
391.19287	1.6
392.19922	1.2
399.16217	1.2
400.16971	1.3
401.17612	0.9
402.19769	0.7
403.19476	1.1
404.20819	1.1
405.20825	4.5
406.21402	4.8
412.17511	0.6
413.17758	0.7
414.18634	1.7
415.19138	4.2
416.20392	1.0
417.20905	1.2
419.22858	2.7
420.23035	3.6
421.23849	9.3
427.19296	1.3
428.20068	2.3
429.20825	10.9
430.21640	2.4
431.22696	1.6
431.94031	0.6
433.19983	1.9
433.24252	1.9
434.24573	1.6
442.21802	0.8
443.22568	6.5
444.23407	3.8
445.19897	3.3
446.21115	1.7
447.18152	1.9
448.22324	1.0
452.21960	0.7
455.18732	1.0
456.19363	1.3
457.24081	2.6
458.24896	5.1
459.21710	7.2
460.22601	4.3
461.19357	6.2
462.20319	0.8
470.20880	1.3
471.21707	1.8
472.22482	4.9
473.19443	2.2
475.21436	2.4
476.21799	5.1
485.23407	11.0
486.20248	1.8
486.24112	2.3
487.21408	1.9
488.21902	4.1
489.22684	0.8
493.22470	0.6
498.20844	0.6
499.21463	0.8
500.22070	1.4
501.22476	0.8
502.23782	0.8
503.24338	16.2
504.22934	0.5
505.22055	0.8
513.22888	3.4
514.23724	1.8
517.25922	7.4
519.24072	0.8
525.41956	0.7
529.25970	1.4
530.22998	0.9
535.27002	20.5
536.27240	0.9
545.25409	66.5
546.25787	2.4
563.26526	5.2
573.24921	15.8
577.28088	1.0
605.27515	56.9
606.27716	2.4
637.30115	100.0
638.30420	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	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05467	0.5
59.95887	0.2
63.44500	0.3
67.05444	0.6
69.07023	0.4
70.86407	0.3
79.05443	0.6
81.06997	0.7
83.08541	0.3
91.05391	0.4
93.06955	0.5
95.08545	0.7
105.06964	0.5
107.08533	0.3
109.10110	0.6
119.08530	0.6
153.69914	0.3
192.04858	0.3
207.09160	0.3
209.10570	0.4
221.10777	0.5
224.20451	0.3
233.10603	0.4
245.10672	0.3
249.10179	0.3
295.21729	0.3
307.00900	0.4
373.15567	0.3
374.16348	0.8
375.17032	0.4
376.17230	0.4
377.17566	1.1
378.18314	0.4
385.14548	0.8
386.15338	0.8
387.15970	1.2
388.17633	0.6
389.17859	0.6
390.18832	0.8
391.19324	1.4
392.19986	1.4
393.15793	0.3
393.20691	2.1
399.16058	1.7
400.16876	3.2
401.13504	0.3
401.17618	3.6
402.18588	1.0
403.19302	0.4
404.16464	0.4
405.20908	0.7
406.21384	0.6
407.22180	2.4
408.22778	0.6
411.16397	0.4
412.16940	0.6
413.12885	0.3
413.17709	3.3
414.18491	3.8
415.19327	8.0
416.20395	1.6
417.20642	1.0
418.18472	0.4
419.18344	0.5
419.22980	0.4
421.20084	3.0
425.17859	0.6
427.19962	1.4
428.20486	3.0
429.21100	8.1
430.21976	2.2
431.18607	0.9
433.15695	0.4
435.21490	1.8
436.22775	0.5
439.18851	0.4
441.16696	1.4
442.17722	1.2
443.17233	3.5
443.22626	2.6
444.18484	4.0
444.24130	0.9
445.20499	2.5
446.20993	0.8
447.17783	0.8
448.18677	0.4
455.18631	0.9
456.19888	1.7
457.20361	5.9
458.21103	4.1
459.17456	0.5
459.22363	0.5
460.18683	0.5
461.19696	0.9
462.20633	0.8
463.21033	0.5
469.16299	0.4
470.16843	0.4
471.22311	6.8
472.23105	5.0
473.19415	4.5
474.20407	1.8
475.20956	0.9
483.18448	0.4
484.18854	1.1
485.19736	2.7
486.20419	5.5
487.21301	2.8
488.21991	1.3
489.23795	1.6
490.19830	3.6
491.20172	0.8
498.20218	0.6
499.21225	10.3
500.22418	3.4
501.22305	0.9
503.24655	4.0
504.21008	0.5
513.19153	1.1
514.19727	1.0
515.20862	0.3
516.21466	1.5
517.22333	4.1
521.25397	0.4
527.20782	3.0
528.21484	1.6
530.59436	0.3
531.23877	12.4
532.23889	0.6
541.22217	0.4
543.23865	1.4
545.21954	0.7
549.24634	0.9
559.23322	87.3
560.23663	5.4
577.24542	0.7
587.22809	14.1
588.23163	1.1
591.25720	0.5
605.23743	0.7
619.25403	100.0
620.25726	6.6
637.26538	14.3
637.42212	0.9
638.25977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99669	0.5
65.51775	0.7
67.05487	2.5
69.03419	0.7
69.07049	1.3
70.90290	1.2
79.05488	0.8
79.76627	0.6
81.03394	0.8
81.07046	1.8
83.08595	1.1
90.16708	0.6
91.05477	1.2
93.07033	1.2
95.05026	0.8
95.08590	1.7
107.04911	0.6
107.08555	0.6
109.10152	1.5
117.06988	0.7
119.08546	1.0
133.10129	0.6
145.10176	0.7
159.11691	0.9
179.55418	0.6
355.26929	0.6
363.16110	0.9
375.16409	0.7
376.17099	0.7
377.17575	1.8
378.18454	1.5
386.15308	0.8
387.16455	0.8
389.18121	1.2
390.18750	0.9
391.19235	2.6
392.19986	2.1
393.20691	2.7
400.16855	1.6
401.17554	2.5
402.18774	0.8
403.19272	1.0
404.20154	0.9
405.16519	1.1
405.20975	1.9
406.21677	1.2
407.22336	4.6
411.15631	0.7
413.17886	2.3
414.18607	2.9
415.19336	6.3
416.20212	1.0
419.18594	1.7
420.18918	0.8
421.20013	4.7
425.17505	0.8
427.19388	1.6
428.19901	2.3
429.21240	4.8
430.21423	2.0
431.18213	1.2
434.21097	0.8
435.21762	3.6
436.22668	1.4
439.19464	0.8
441.16928	0.8
442.17786	0.9
443.17822	1.7
443.23489	3.2
443.69818	0.6
444.18735	3.7
445.20285	2.2
446.06204	0.7
446.20941	1.1
447.18253	2.3
449.19028	0.8
457.20657	4.4
458.20941	3.5
459.17828	1.5
461.19775	2.4
462.20389	1.3
463.20840	1.1
469.16898	1.0
470.17456	1.1
471.22720	4.3
472.23331	3.6
473.19806	4.4
474.20367	2.3
475.17496	1.1
485.20041	3.1
486.20367	5.1
487.21259	2.6
488.22565	1.1
489.18839	2.1
489.23328	1.9
490.19287	3.3
491.20792	2.1
492.21301	0.8
498.20703	1.0
499.21310	7.4
500.21683	2.2
501.18759	0.7
502.20068	1.0
503.25531	3.1
513.18915	4.5
514.19934	1.3
516.21497	1.5
517.22333	12.9
518.22382	2.0
519.19745	0.8
521.26514	0.7
527.20667	2.5
528.21594	1.3
529.22229	1.6
531.24261	12.0
539.39612	0.8
543.24072	1.2
545.22107	1.3
549.24915	6.9
550.25989	0.8
559.23364	54.2
560.23639	5.8
577.24188	1.8
578.24988	0.9
587.22821	9.3
588.23425	0.8
591.25830	2.5
605.23840	5.7
619.25433	59.0
620.25714	4.3
637.26495	100.0
638.26910	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	637.1753
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03924	0.7
55.01856	0.5
55.05482	0.5
57.03201	0.2
57.03427	2.7
59.04985	0.2
59.20121	0.2
61.02902	1.1
65.03940	0.2
67.05479	0.6
68.99797	0.5
69.03421	4.5
69.07027	0.7
69.45520	1.0
69.45956	1.1
70.06573	0.6
70.71901	0.2
71.01337	0.3
71.04981	14.3
73.02900	1.1
75.04464	0.5
79.05463	0.5
79.14801	0.2
81.03405	3.4
81.07039	1.3
83.01338	0.2
83.04975	1.4
83.08630	0.2
84.04472	0.3
84.08129	0.2
85.02893	21.3
85.06496	0.3
86.09709	0.5
87.04445	0.7
87.07921	0.3
91.05465	1.1
91.65675	0.2
93.07030	0.7
95.04945	0.6
95.08593	1.0
97.02877	10.2
97.06506	0.5
99.04436	2.4
99.08086	0.2
103.03985	0.2
105.07011	0.8
107.04917	0.3
107.08563	0.6
109.02866	5.7
109.06491	0.6
109.10144	0.9
111.00764	0.4
111.04439	1.2
114.09142	0.7
114.10261	0.2
115.03880	0.3
119.04931	0.4
119.08547	0.8
120.08044	0.2
121.02836	1.6
121.06461	0.3
121.10117	0.7
123.04404	0.2
123.11671	0.6
125.09616	0.2
127.03011	0.3
127.03900	6.3
129.05464	4.7
129.06938	0.3
130.08710	0.2
131.04895	0.2
131.08553	0.5
133.02809	0.3
133.10112	0.9
135.04405	0.4
135.08015	0.5
135.11630	0.4
137.02338	0.5
137.05951	0.9
137.09625	0.4
139.03870	0.2
143.08553	0.3
143.10669	0.2
145.02847	0.3
145.04942	8.6
145.10107	0.3
147.04385	1.2
147.06485	1.0
147.08047	0.2
147.11661	0.7
148.11163	1.1
149.05945	0.3
149.09607	0.3
151.03911	0.3
153.01796	2.4
157.06474	0.3
159.11688	0.4
161.09575	0.2
163.03873	0.6
163.07570	0.3
165.01781	1.0
165.05460	0.3
167.07033	0.4
169.04906	0.5
173.13191	0.3
175.03867	0.2
175.14755	0.3
177.05414	0.5
177.16383	0.2
183.02876	0.6
185.05893	0.3
187.06006	1.2
187.14749	0.2
191.14259	0.5
205.07054	4.6
209.15298	0.4
213.05466	0.9
231.06474	0.4
241.04976	0.4
258.05161	0.7
268.73981	0.2
287.05453	100.0
288.05731	1.5
299.05643	0.3
315.04858	0.2
331.08041	1.5
332.11047	0.2
365.71710	0.2
448.18515	0.2
454.33658	0.2
455.35229	0.4
487.58154	0.2
491.11752	1.0
619.39655	0.3
636.42169	0.2
637.31561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01858	2.0
55.05505	10.3
57.03428	10.9
57.07068	1.2
59.05001	3.5
59.05240	0.8
60.85909	0.6
61.02921	6.0
65.03919	1.6
67.05497	61.9
68.05815	1.4
69.03423	5.2
69.07058	7.0
70.06580	0.7
70.07386	0.9
71.01320	0.8
71.04984	9.4
71.79752	1.4
73.02909	3.2
74.09692	0.8
79.05074	1.1
79.05484	12.9
81.03407	32.3
81.07045	26.0
81.07536	1.0
82.03723	0.8
82.07377	0.9
83.04974	8.6
83.08613	16.3
85.02895	22.2
85.06525	3.3
86.09663	1.0
87.04455	0.9
91.03934	2.0
91.05469	22.6
92.05798	0.8
93.06496	1.2
93.07034	16.8
93.16266	0.6
94.07370	1.5
95.04961	13.0
95.08598	16.1
96.08931	1.9
97.02879	5.6
97.06506	2.9
97.10139	2.4
98.03236	0.8
99.04398	1.5
99.08049	1.2
104.06316	0.7
105.07018	15.5
106.07342	1.2
107.04955	4.4
107.08578	13.3
108.08903	2.0
109.02866	1.6
109.06516	4.1
109.10144	60.0
110.10476	2.8
111.04441	1.9
111.08064	7.2
113.05997	1.7
113.09666	0.7
115.05430	0.7
116.20858	0.6
117.07004	2.3
119.04925	1.3
119.08566	20.0
119.09409	1.3
120.08884	1.6
121.06496	1.6
121.10137	12.9
122.10452	2.5
123.08025	2.3
123.11697	4.9
124.12047	1.3
125.09624	3.0
127.03925	1.7
127.11209	1.8
128.06223	0.7
129.05457	1.2
129.06975	4.9
131.08551	6.9
132.08846	0.7
133.06485	1.3
133.10110	12.0
134.10458	1.3
135.08054	1.3
135.11679	8.1
136.11984	1.3
137.05956	1.2
137.09598	8.0
137.13225	1.3
139.07581	0.8
139.11145	0.8
142.07706	1.4
143.08554	2.3
143.10675	1.0
145.04930	0.9
145.10114	4.9
146.10478	0.9
147.04364	4.7
147.08049	2.2
147.11664	11.2
148.04655	1.4
148.12056	1.5
149.09616	3.9
149.13260	3.3
150.13606	0.8
155.10617	2.0
157.10135	7.6
158.10507	0.9
159.11639	3.4
160.11998	1.1
161.09668	1.1
161.13248	2.5
163.03880	1.1
163.07623	1.1
163.11153	2.1
163.14839	1.9
165.09074	0.7
165.12733	1.8
168.72165	0.6
170.05978	0.7
171.11681	1.7
173.11751	15.0
173.13240	2.6
174.13556	0.8
175.11156	8.8
175.14819	2.3
177.09169	1.2
177.12709	1.0
177.16437	1.0
183.11696	1.4
184.69965	0.6
185.13260	1.2
187.14827	2.0
188.15103	0.9
189.16360	1.4
190.16736	1.1
191.17967	1.6
193.12219	22.8
194.12561	1.2
195.11568	0.8
197.13203	0.8
199.14818	1.8
201.16338	1.6
203.17912	1.1
205.12215	0.7
211.13263	33.2
212.13542	1.0
213.16359	1.2
217.19479	0.8
221.15276	0.8
223.14799	0.8
229.14322	57.0
230.14636	1.6
233.15407	0.9
247.16907	1.0
267.15884	15.2
277.21622	4.1
285.16925	27.4
286.17355	1.4
367.22635	0.9
370.32932	0.6
385.23529	0.8
403.24741	2.6
408.33292	1.1
420.33606	2.0
421.25778	18.5
421.31067	1.3
422.26288	1.2
426.34763	1.1
437.34015	1.5
438.34650	3.8
439.26883	100.0
440.27243	5.8
454.34479	0.9
455.35309	2.9
456.35547	13.1
462.29150	0.6
472.35153	3.9
473.36172	5.4
474.36725	6.3
475.26404	0.7
489.35568	1.8
490.35895	6.1
618.39758	1.1
619.42090	0.8
636.40863	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	635.414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60311	0.9
53.03939	5.7
54.70597	0.9
55.01859	4.1
55.05506	17.7
57.03428	11.0
57.07063	5.4
57.19028	0.9
59.04995	1.5
61.02917	16.1
63.99440	1.0
65.03917	2.5
67.05495	37.3
68.05841	1.1
69.03423	27.8
69.07059	37.9
71.04983	28.6
71.08641	1.8
73.02912	7.7
73.06561	1.3
75.04475	3.5
75.28403	1.0
77.03897	1.1
79.05483	18.9
81.03407	15.1
81.07046	60.4
83.01347	1.2
83.04959	9.2
83.08616	11.3
85.02895	96.6
85.06510	2.7
85.72527	0.9
87.04461	4.0
91.03952	7.5
91.05463	23.1
93.07031	49.4
94.07310	1.1
95.04964	9.7
95.08595	66.8
96.08922	1.9
97.02887	28.2
97.06525	6.7
97.10153	12.9
98.21443	3.0
99.04439	4.9
99.08080	3.6
103.05447	1.5
105.07014	42.7
107.04978	2.3
107.08578	64.5
108.08861	1.3
109.02866	6.3
109.06536	4.7
109.10143	100.0
110.10506	2.7
111.04404	2.0
111.08049	6.0
111.11745	2.3
115.03912	1.1
115.05444	1.8
117.07039	7.0
119.08570	47.7
120.08816	1.3
121.06467	5.4
121.10129	54.3
122.10419	1.2
123.08070	6.5
123.11690	48.0
125.06006	2.2
125.09609	15.2
125.13342	1.3
127.03903	15.0
127.11181	2.9
128.06203	2.1
129.05476	6.5
129.06941	5.6
131.08551	21.4
133.06535	1.1
133.10115	42.5
134.10406	1.7
135.08025	7.2
135.11678	53.5
136.11995	1.7
137.05981	1.6
137.09590	4.2
137.13228	18.6
139.07570	2.0
139.11176	2.4
141.07005	1.8
142.07724	2.6
143.08534	11.1
143.10663	1.2
145.04968	8.5
145.05994	1.2
145.06535	0.9
145.10098	30.2
147.08105	3.4
147.11667	29.2
147.12833	1.5
149.05960	1.8
149.09627	5.4
149.13229	23.5
151.07579	3.3
151.11197	3.6
151.14809	2.4
153.09135	1.9
153.12747	2.6
155.08565	3.3
157.10104	14.4
158.10768	1.8
159.08049	1.2
159.11668	32.0
161.09650	3.6
161.13232	21.8
161.14507	1.6
163.06331	1.0
163.07524	5.9
163.11095	5.3
163.14775	13.1
164.11624	1.2
165.09140	2.6
165.12749	2.3
167.10643	1.3
167.14311	1.3
169.10101	5.8
171.11646	12.3
172.12343	1.3
173.09651	2.2
173.11794	2.0
173.13245	18.6
174.12102	1.3
174.13594	1.1
175.11177	4.6
175.14807	14.0
177.09091	4.8
177.12762	3.5
177.16357	8.5
179.10684	3.2
179.17818	1.0
181.10153	1.3
181.12199	1.3
183.11693	6.7
185.11679	1.7
185.13239	14.4
187.11234	2.4
187.14796	22.6
189.09155	3.7
189.12732	2.9
189.16365	16.2
191.10675	4.5
191.14328	2.4
191.17921	19.7
193.12267	3.2
193.15895	1.3
193.19568	4.0
195.11688	4.0
197.13304	5.6
199.10983	1.4
199.14772	10.0
201.12695	3.0
201.16354	17.8
203.10648	3.7
203.14354	4.3
203.17923	12.7
205.12239	2.9
205.15828	2.4
205.19547	2.6
207.11768	1.2
207.13828	3.3
207.17435	1.9
209.13287	2.8
211.13141	1.2
211.14864	6.4
213.16359	11.1
215.14296	3.9
215.17912	8.3
217.12248	2.3
217.15831	2.9
217.19427	5.1
219.13799	4.8
219.17409	1.6
219.21069	2.4
221.13371	1.5
221.15366	3.1
223.14786	2.6
225.16406	2.3
227.12256	1.2
227.14412	1.7
227.17931	4.8
229.12288	1.9
229.14134	2.6
229.15869	4.3
229.19475	4.4
230.14682	1.8
230.33286	1.7
231.13724	5.4
231.17358	1.9
231.21152	1.2
233.15335	5.6
235.16949	1.7
237.16345	3.3
239.17969	3.1
241.15775	1.6
241.19533	4.7
243.13795	1.8
243.17422	1.9
243.21124	2.8
245.15427	8.2
245.19029	1.2
247.16948	8.0
249.18542	1.6
251.17763	2.6
253.19521	3.9
255.17415	3.0
255.21033	5.0
257.15359	1.8
257.19128	1.8
257.22559	2.2
259.16904	2.8
259.20413	1.8
261.18481	2.3
265.19437	2.0
267.21054	3.3
269.22589	2.3
271.20444	2.0
273.18478	2.2
277.19379	1.1
279.20929	2.7
281.22672	2.6
283.20496	1.3
283.24237	1.6
284.11652	1.2
284.15695	1.4
285.12387	1.6
285.18402	3.1
285.21799	1.3
286.13028	1.1
287.13849	2.0
287.20151	1.6
291.20868	1.3
293.22534	2.9
295.20795	1.9
295.24176	3.7
297.22287	3.3
299.20090	4.4
299.23495	1.7
301.21609	3.3
307.24030	1.4
309.22198	1.7
309.25644	2.2
311.23666	3.8
313.21564	6.0
313.25278	4.1
315.13382	10.2
315.23117	6.5
323.27264	2.0
327.23215	2.8
327.26813	2.0
329.24753	1.7
331.22537	1.1
333.14453	13.1
333.25739	1.3
339.23260	1.8
351.26837	4.0
353.24548	1.4
355.26312	4.7
357.24167	5.3
367.26425	2.6
369.27847	24.6
373.27393	3.7
377.32266	5.0
381.27795	3.4
385.27576	1.7
387.28757	2.7
389.31842	1.3
391.33548	1.8
395.28885	1.8
395.33386	1.6
401.31912	2.1
405.31326	1.4
407.33282	6.2
408.33255	1.4
409.34424	2.1
419.33057	11.4
423.32468	3.1
425.34070	3.7
435.32544	6.4
437.34116	34.5
438.25516	3.9
438.34369	2.4
439.26559	2.3
453.33392	8.9
455.35324	8.4
471.34711	11.3
473.35748	2.3
489.35727	20.1
490.35791	2.5
553.33484	2.2
561.34247	1.6
567.34546	1.1
579.35052	1.8
599.39862	2.2
617.40521	19.6
635.41748	26.7
636.41614	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	635.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01863	2.6
55.05500	14.8
57.03428	9.4
57.07064	6.2
59.04994	2.6
61.02915	18.8
62.58175	1.1
65.03927	2.9
67.05490	32.3
69.03416	26.6
69.07054	37.2
69.07413	2.2
71.04975	5.6
73.02902	6.9
79.05473	17.7
79.42698	1.0
81.03416	12.6
81.07041	51.1
83.04962	5.2
83.08601	12.5
85.02889	77.4
85.06522	2.6
87.04006	1.0
87.04443	5.0
91.03957	8.0
91.05460	20.1
93.07027	45.4
95.04951	7.4
95.08585	70.1
97.02872	31.5
97.06508	5.9
97.10146	11.7
99.04435	5.1
99.08075	2.7
101.02426	1.4
102.92048	1.0
105.07011	37.1
105.07692	2.1
107.08572	69.0
108.08904	1.0
109.02862	8.3
109.06503	6.3
109.10137	100.0
110.10510	1.1
111.04457	1.2
111.08095	4.1
111.11721	3.9
113.09687	1.0
115.03898	1.2
115.05499	1.0
117.07005	5.6
119.08558	46.3
121.06523	3.6
121.10123	53.1
122.63400	1.0
123.08030	6.1
123.11680	47.4
125.09608	14.5
125.10454	1.3
127.03876	14.9
127.11186	2.3
128.06247	1.7
129.07022	3.8
130.07813	1.1
131.08542	18.8
133.10101	41.6
135.08054	5.4
135.11668	56.0
137.09639	3.0
137.13214	20.5
137.14122	1.5
139.07549	2.0
139.11217	3.4
141.06970	2.6
142.07817	1.4
143.08533	10.9
144.09258	1.8
145.04980	11.2
145.06549	1.6
145.10095	26.7
145.11185	1.5
147.04419	2.8
147.07994	2.7
147.11655	22.3
149.09604	3.6
149.13219	23.6
151.07600	2.0
151.11214	2.4
151.14886	4.0
153.09099	2.4
153.12747	3.7
154.07820	1.3
155.08597	3.4
156.09361	1.5
156.11029	1.0
157.10114	14.3
159.08096	1.4
159.11667	30.1
161.09644	4.5
161.13234	22.0
163.07497	7.8
163.11230	3.4
163.14783	15.2
165.09155	2.8
165.12787	1.7
165.16344	1.5
168.09293	1.2
169.10129	3.9
171.11649	15.4
173.09589	2.4
173.13225	19.6
175.11221	4.0
175.14774	16.4
176.14249	1.3
177.09064	5.8
177.12790	3.5
177.16345	7.8
179.10698	3.4
179.14307	2.0
181.10124	1.3
183.11673	7.0
185.09755	1.1
185.13211	13.7
187.11288	3.3
187.14769	22.5
189.09163	4.0
189.12778	2.9
189.16354	17.9
191.10765	4.8
191.14389	1.6
191.17908	19.2
191.19440	1.8
193.12355	2.1
193.19562	3.2
195.11743	2.6
197.13156	5.1
198.14165	1.2
199.11331	1.2
199.14801	9.6
201.12743	3.6
201.16338	16.3
203.10747	2.5
203.14299	2.9
203.17937	16.5
205.12268	3.7
205.15987	1.2
205.19482	2.9
207.13939	2.2
207.17514	2.1
209.13356	3.0
210.14050	1.2
211.14792	5.9
213.16351	8.5
215.14409	2.4
215.17960	7.1
217.12323	2.1
217.15877	3.0
217.19492	6.3
219.13887	3.9
219.17451	1.6
219.21136	2.4
221.13364	1.5
221.15314	2.2
223.14674	2.0
225.16435	4.7
227.14401	1.7
227.17854	5.3
229.16005	3.6
229.19615	3.3
231.13800	5.4
231.17584	2.7
233.15302	7.3
237.16431	1.8
239.17996	4.0
241.15964	1.2
241.19579	4.4
243.17422	1.5
243.21146	3.9
245.15295	11.1
247.16852	9.3
251.18037	1.4
253.19479	5.8
255.17540	2.8
255.21010	7.3
257.19208	1.5
259.17050	3.5
267.21118	2.4
269.22647	2.6
271.16925	2.2
271.20660	1.9
273.18649	2.9
273.22101	1.2
279.21136	3.1
281.18912	1.6
281.22696	2.2
285.18564	1.9
287.20071	2.3
293.22720	1.9
295.20721	1.3
295.24359	3.1
297.22189	3.0
299.20099	3.8
299.23627	1.1
301.21637	3.0
307.24057	1.3
309.25873	2.6
311.23785	2.7
313.21692	3.7
313.25412	4.3
315.23111	11.4
321.25897	1.3
327.23267	1.9
329.24759	1.9
339.26941	2.7
341.24710	2.0
349.24872	1.4
351.26862	3.6
353.24988	1.6
355.26379	2.8
357.24136	7.7
357.28210	1.7
367.26358	2.4
369.27823	26.6
373.27530	4.8
377.32068	6.3
381.27927	4.9
387.28885	1.9
395.33264	3.4
399.29184	3.0
401.32266	1.6
407.33267	4.7
409.34692	3.6
419.32968	15.1
425.34375	1.5
437.34091	44.0
438.34314	1.9
439.27112	2.2
455.35162	9.5
473.35944	1.7
535.32367	1.3
549.34058	1.6
553.33966	3.5
557.38452	2.2
561.34369	1.4
579.35083	1.5
599.39117	2.2
617.40393	22.8
621.52448	1.4
635.41492	37.0
636.42255	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	635.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84342	0.9
53.03948	3.7
55.01870	2.2
55.05501	19.6
57.03421	8.2
57.07066	6.1
59.05003	1.5
61.02917	63.7
64.99689	0.9
65.03947	3.3
66.86047	1.1
67.05492	39.9
69.03416	19.2
69.03766	1.7
69.07056	40.7
70.31613	4.6
71.01330	1.3
71.04987	7.5
71.08625	1.2
73.02904	22.3
73.03301	1.1
79.05476	19.2
79.05906	1.5
81.03398	5.2
81.07041	57.7
83.01368	1.6
83.04972	5.1
83.08610	12.2
85.02889	60.9
85.06523	2.3
86.09732	2.9
87.04465	1.3
89.22389	0.8
91.03941	36.7
91.05458	23.1
93.07024	48.6
95.04951	6.3
95.08591	71.4
97.02878	33.8
97.06521	5.8
97.10147	11.5
99.04399	5.5
99.08086	1.5
101.02376	1.9
103.05528	1.4
105.07013	40.6
107.04958	0.9
107.08575	73.5
109.02893	3.0
109.06506	5.3
109.10137	100.0
110.10516	1.6
111.08109	3.7
111.11736	3.5
112.93861	0.9
115.03971	3.6
115.05461	1.4
116.06219	1.0
117.06977	8.8
119.04932	1.0
119.08559	53.3
121.06514	5.1
121.10124	58.8
122.10496	1.4
123.04481	1.2
123.08075	5.1
123.11685	47.2
125.05965	1.2
125.09602	12.3
125.13342	1.0
127.03899	9.8
127.07639	1.1
127.11219	2.2
128.06258	1.5
129.05573	1.6
129.06996	4.4
130.69243	1.2
131.08556	17.7
131.09424	1.4
133.06552	1.1
133.10109	44.9
135.08084	7.1
135.11665	57.7
136.11986	1.4
137.05960	1.4
137.09593	5.4
137.13232	25.4
137.14247	1.4
139.07562	1.9
139.11226	2.8
141.07016	1.3
142.07811	1.8
143.08521	12.7
143.10690	1.0
145.04892	5.7
145.10098	28.3
145.11163	1.7
146.10567	1.1
147.04402	2.4
147.08026	2.8
147.11661	27.7
149.06024	1.6
149.09669	3.8
149.13234	23.3
151.07556	3.1
151.11182	2.6
151.14835	5.0
153.09094	1.9
153.12759	2.5
155.08598	4.0
156.09283	1.2
157.10097	14.7
159.08081	2.4
159.11662	30.9
159.12872	1.7
161.09560	4.8
161.13213	22.4
163.06157	2.0
163.07603	8.2
163.11232	4.1
163.14807	17.1
165.09175	3.1
165.12787	2.9
165.16353	1.2
167.10681	1.5
169.10057	5.6
170.10916	1.1
171.11668	13.1
173.09648	1.6
173.13228	23.1
175.11264	4.3
175.14789	15.7
175.16092	1.1
176.14270	5.8
177.09171	4.6
177.12827	2.9
177.16351	10.6
179.10649	1.8
179.14386	3.0
179.17955	1.0
181.10170	2.5
183.11633	6.5
184.12440	1.4
185.09705	1.9
185.13229	14.3
186.13988	1.1
187.11252	2.6
187.14784	24.9
189.09192	2.6
189.12836	3.0
189.16368	16.4
189.17932	1.2
191.10629	4.6
191.14394	2.4
191.17911	20.4
193.12315	3.8
193.16026	1.0
193.19586	3.6
195.11824	2.7
196.12479	1.4
197.13283	5.5
199.14754	10.4
199.16405	0.9
201.12865	2.0
201.16368	16.6
201.18039	1.2
203.10796	3.1
203.14464	3.5
203.17941	15.3
205.12308	3.0
205.15977	2.1
205.19637	3.4
207.13899	2.0
207.17596	2.6
209.13342	4.0
211.14775	6.3
213.12869	1.2
213.16321	7.9
215.14442	2.7
215.17931	6.3
217.12366	2.4
217.16040	2.9
217.19514	6.3
219.13846	4.7
219.21086	2.0
221.15430	3.3
223.14932	2.7
225.16309	4.6
227.14366	2.4
227.17859	6.6
229.15962	6.2
229.19566	3.1
231.13722	6.4
231.17535	1.5
233.15385	5.0
233.19066	1.1
237.16595	2.7
239.18066	4.0
241.15825	1.4
241.19469	4.6
243.14000	1.3
243.17459	1.8
243.21265	4.3
245.15312	9.8
247.16898	10.5
251.18034	1.3
253.19533	4.6
255.17473	1.8
255.18649	1.4
255.21042	7.3
257.15372	1.5
257.19107	1.4
259.17093	3.1
261.18628	1.8
267.21271	2.6
269.22760	3.0
271.17001	1.7
273.18805	1.8
279.21152	2.3
281.22696	2.2
283.20786	1.7
285.18628	3.4
285.21881	1.4
287.20120	2.7
289.21704	1.3
293.22665	1.6
295.24304	4.1
297.22372	2.6
299.20148	3.9
299.23486	1.3
301.21777	4.1
309.22449	1.3
309.25928	3.2
313.21713	4.1
313.25378	4.6
315.23141	9.8
321.22110	1.2
321.25793	1.9
323.27454	2.3
327.23367	1.7
327.26956	1.9
333.25970	1.2
339.23230	1.9
341.25055	1.2
351.26849	2.5
355.26526	3.8
357.24182	6.8
357.28055	1.0
367.26285	1.8
369.27844	22.3
373.27603	4.1
377.31995	8.6
381.27856	5.3
387.28903	1.3
391.33655	2.3
393.35422	1.2
395.33377	3.5
396.33417	1.3
399.28864	1.9
401.31647	1.9
407.33395	3.6
409.34787	2.6
419.33041	15.1
425.34360	1.6
437.34113	45.8
438.26022	1.5
438.34430	1.5
453.33600	1.7
455.35141	13.2
471.34991	3.7
473.36588	4.0
489.35883	6.2
535.32678	1.5
549.34387	1.5
553.34216	3.4
561.34442	1.6
579.35413	2.1
617.40277	21.3
618.41083	1.9
635.41516	35.7
636.40973	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01848	1.4
55.05259	1.3
55.05499	12.7
57.03428	16.2
57.07056	1.6
59.04990	1.5
61.02920	1.0
65.03896	1.2
65.80671	0.6
67.05492	20.5
69.03411	3.3
69.06676	1.2
69.07058	19.2
71.01331	1.1
71.04980	78.0
71.33553	0.9
71.33891	1.2
73.02901	2.1
75.04466	3.8
79.05482	10.4
81.03407	2.2
81.07040	29.1
82.07393	0.7
83.04967	21.1
83.08585	4.5
85.02890	100.0
85.06529	1.2
86.06029	0.7
87.04450	4.0
91.05460	11.8
93.07024	22.9
95.04939	6.3
95.08594	26.3
97.02872	1.7
97.06520	3.5
97.10158	5.7
99.04423	1.5
99.08068	5.6
100.11268	0.8
105.07015	26.3
105.07713	1.5
106.07350	1.0
107.08574	33.0
108.08904	1.2
109.06500	2.6
109.10139	43.5
110.10474	0.8
111.04423	9.2
111.08066	6.9
113.09616	0.8
115.05492	0.7
117.06995	4.9
119.08562	29.0
121.06513	2.7
121.10130	22.5
123.08043	2.5
123.11684	20.0
125.05936	1.0
125.09614	10.2
127.11147	1.4
128.06277	0.8
129.05460	27.4
129.07004	3.3
130.07854	0.8
130.81464	0.7
131.08539	14.3
133.10109	23.3
135.08051	3.0
135.11673	14.4
137.09595	3.4
137.13261	3.0
139.07558	0.9
139.11183	1.4
141.06946	1.4
142.07816	1.7
143.08566	8.5
143.10626	4.3
144.09361	0.8
145.04901	0.8
145.10097	22.4
145.11195	1.4
146.10568	0.8
147.04471	0.8
147.06512	4.8
147.08069	1.5
147.11653	18.3
149.09590	4.0
149.13251	11.1
151.07541	1.0
151.11154	2.1
151.14771	1.1
155.08546	2.7
156.73404	0.8
157.10106	11.6
159.08040	2.3
159.11668	19.2
161.09624	2.3
161.13228	15.5
163.07494	1.5
163.11176	2.8
163.14818	3.7
165.06874	0.8
165.09087	1.0
165.12738	1.1
167.08476	1.1
167.10643	1.4
169.10095	5.4
171.08105	0.9
171.11664	9.2
172.12361	1.0
173.09602	2.4
173.11816	1.4
173.13231	12.7
174.13622	0.9
175.11163	1.7
175.14798	9.0
177.09090	2.3
177.12767	3.4
177.14952	0.9
177.16270	4.4
179.10733	1.5
181.10165	2.4
182.10674	1.0
183.11626	4.5
184.12285	0.9
185.09619	0.9
185.13226	9.0
186.13745	1.5
187.11212	1.5
187.14784	11.5
189.09100	0.8
189.12770	2.1
189.16359	7.4
191.10663	2.6
191.14381	2.1
191.17953	3.3
193.12202	1.1
193.15877	1.0
195.11717	2.3
197.13219	4.0
199.11069	1.0
199.14752	7.7
201.12648	1.0
201.16330	8.8
202.16713	0.8
203.10522	0.9
203.14261	2.4
203.17990	2.4
205.12213	1.2
205.15923	4.4
207.13747	1.0
207.17448	1.7
209.13268	2.3
211.14746	3.6
213.12807	1.6
213.16310	4.9
215.14294	1.4
215.17871	3.8
217.10255	0.7
217.12233	2.1
217.15941	2.4
217.19514	1.1
219.17506	1.7
221.13185	1.3
221.15413	0.8
223.14828	2.5
225.16351	3.5
227.14365	1.4
227.17911	3.0
229.14148	1.2
229.16127	1.6
229.19551	1.2
231.13835	1.5
231.17476	1.1
233.15320	1.8
235.14897	0.9
237.16325	1.9
239.17944	2.2
241.19470	4.2
243.17346	1.6
243.21187	1.0
245.15408	2.5
245.18840	0.9
247.16939	5.0
249.16313	0.7
251.17976	2.1
253.19464	4.2
255.17433	1.5
255.21106	1.7
257.15274	1.1
257.18976	1.6
259.16727	0.9
259.20468	2.5
261.18689	1.0
265.19632	1.0
267.21106	1.7
269.19025	1.4
271.16879	2.0
271.20441	1.6
273.18491	2.6
279.21109	1.8
281.19455	0.7
281.22653	3.1
283.20706	1.1
283.24173	1.0
285.18750	0.8
291.20914	1.2
293.22501	2.1
295.20633	1.2
297.22101	1.4
299.20251	1.3
299.23694	2.6
300.04428	0.8
301.21597	1.8
309.22119	2.1
309.25641	1.2
311.20432	1.0
311.23575	3.6
313.21686	1.9
313.25153	1.3
314.25848	0.8
315.19385	1.1
315.23135	1.1
327.23206	2.9
329.24780	1.3
335.23660	1.0
339.26678	1.6
353.24707	1.4
355.26376	2.2
365.28485	1.0
367.26337	4.0
371.25845	0.9
375.26477	0.8
377.28409	2.4
385.27396	2.3
395.29303	5.8
403.28500	2.9
404.56741	1.1
405.31470	2.8
407.27844	2.6
407.33118	6.7
415.28262	1.0
417.31287	3.9
419.32794	1.3
423.32480	8.1
425.34195	7.0
433.29962	1.3
435.32541	15.3
437.33948	1.5
439.26944	3.6
441.33755	2.2
451.32394	0.9
453.33572	22.5
454.34058	1.9
455.35034	2.3
471.34607	30.5
472.34961	1.5
489.35684	43.9
490.36017	3.7
563.37366	3.6
581.38324	2.3
599.39435	1.3
617.40369	8.3
635.40967	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	0.2
55.05496	0.6
57.07059	0.2
61.02900	0.2
65.03918	0.9
67.05495	0.8
69.07057	0.7
69.59573	1.0
69.59982	0.4
77.19118	0.2
79.05466	0.9
79.93185	0.2
81.03406	0.2
81.07045	1.5
83.08609	0.4
85.02888	0.2
90.73312	0.2
91.05464	8.2
93.07027	1.4
95.04955	0.6
95.08595	2.2
97.02868	0.2
97.10156	0.3
98.45036	0.1
105.07019	1.6
107.08582	1.9
109.06522	0.2
109.10141	1.5
111.08056	0.2
117.07002	0.3
118.43636	0.1
119.04922	20.9
119.08548	1.7
120.05286	0.2
121.10126	1.9
123.04410	1.0
123.11687	0.7
129.07016	0.2
131.08508	0.8
133.10106	1.7
133.26459	0.2
135.08058	0.2
135.11678	1.4
137.13220	0.4
141.12006	0.2
143.08553	0.3
145.10130	1.6
147.04382	100.0
147.11662	1.0
148.04700	0.9
149.13220	0.9
157.10115	0.4
159.11710	0.8
161.13235	1.7
163.03912	0.2
163.11104	0.2
163.14847	0.4
165.05449	44.8
166.05733	0.2
169.10127	0.3
171.11642	0.5
173.13213	0.8
173.21931	0.2
175.14764	0.8
177.16370	1.2
183.11603	0.3
185.13220	0.6
187.14803	1.1
189.16399	1.0
191.14226	0.3
191.17885	0.5
199.14778	0.7
201.16331	1.2
203.14336	0.2
203.17941	1.8
205.15836	1.7
206.08107	0.2
213.16484	0.4
215.18045	0.3
217.19525	0.2
219.17488	0.4
239.83699	0.2
241.19478	0.2
247.16740	0.2
255.21001	0.3
259.20621	0.3
275.16681	0.2
283.20517	0.3
309.90195	0.2
311.25500	0.4
318.24698	0.2
367.29782	1.1
389.31787	0.3
407.33051	2.0
423.32315	0.2
425.33990	0.5
435.32758	0.2
453.33582	1.0
555.36066	0.2
635.36945	0.8
640.64496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3934
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05496	3.7
57.07039	1.7
58.85945	0.4
61.02897	0.4
65.03934	2.2
67.05495	5.4
69.03412	0.7
69.07056	5.8
71.04987	0.9
79.05476	4.6
81.03385	1.2
81.07037	11.0
83.04961	0.8
83.08602	4.8
85.02878	1.7
89.13236	0.4
91.05463	20.4
93.07025	10.9
95.04961	3.5
95.08588	15.9
97.06512	0.6
97.10163	2.3
103.05438	0.6
105.07016	12.6
107.04962	0.8
107.08575	18.4
109.06492	1.3
109.10136	12.8
111.04430	0.6
115.05438	0.4
117.06998	2.8
119.04922	31.9
119.08557	16.2
121.06478	3.6
121.10123	17.6
121.10860	0.3
121.11047	0.4
123.04414	12.4
123.08036	0.8
123.11691	7.3
125.09564	0.5
127.03957	0.5
129.06992	2.5
131.08537	7.4
133.10104	14.8
135.11664	15.2
137.05977	0.6
137.09607	1.1
137.13226	3.2
141.07014	0.9
142.07703	0.8
143.08546	3.9
145.06386	0.5
145.10086	9.9
147.04381	100.0
147.11656	8.6
148.04704	0.8
149.05991	0.5
149.13228	10.3
151.11148	0.6
151.14806	1.1
153.09195	0.6
153.12666	0.5
155.08546	1.3
157.10118	7.4
159.07954	0.6
159.11687	8.2
161.09691	0.7
161.13235	6.9
163.14812	7.2
165.04042	0.8
165.05450	16.5
167.08545	0.9
167.40953	0.4
169.10121	2.5
171.11674	5.5
173.09685	0.6
173.13220	6.1
175.14796	10.4
177.16353	20.8
177.17914	1.0
179.14261	0.9
181.10136	0.6
183.11685	3.2
184.12485	0.4
185.13199	4.6
187.11171	0.5
187.14767	5.9
189.12738	0.9
189.16342	9.0
191.17894	4.2
193.15865	6.7
195.11664	1.4
197.13208	2.3
199.14766	6.1
201.16359	12.1
203.14305	0.5
203.17920	6.5
205.15886	1.7
205.19464	0.7
207.17525	1.1
209.13266	1.3
211.14752	2.8
213.16356	6.1
215.17899	5.1
217.12245	0.9
217.15865	1.5
217.19484	1.5
219.13794	0.6
219.17393	0.8
223.14804	1.2
225.16222	2.3
227.17896	11.2
229.15784	0.9
229.19498	1.6
231.13683	0.9
231.17456	0.6
233.15329	0.9
235.14737	0.5
237.16396	1.3
239.17850	2.4
241.19449	2.4
243.17339	0.6
245.15366	1.9
245.19089	1.4
247.16885	1.3
251.17920	0.9
253.19485	1.9
255.20996	0.7
257.15375	0.6
259.16870	3.2
261.14801	0.7
261.18317	2.1
265.19534	1.3
267.21033	1.6
271.16925	0.7
273.18436	10.8
279.20972	0.9
283.16940	1.3
285.18359	1.2
287.19952	0.8
293.22565	0.6
295.24115	0.7
297.18881	0.6
299.20166	0.8
319.24121	0.6
325.21436	0.5
347.35117	0.4
367.30109	0.8
377.31992	1.9
379.33527	0.6
389.31955	6.8
395.33344	2.4
407.33047	6.0
411.32730	0.8
417.31052	0.7
423.32492	4.9
425.34039	0.7
435.32529	10.8
437.34235	0.6
441.33606	1.1
453.33597	12.0
454.72095	0.5
489.35767	0.8
635.37537	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	635.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05498	2.4
57.07055	1.1
65.03924	2.0
67.05497	3.0
69.03408	1.1
69.07064	3.8
69.75902	1.7
69.76327	1.9
71.04982	0.4
79.05470	3.3
81.03410	0.7
81.07042	6.7
82.83658	0.4
83.08611	2.7
83.70200	0.4
85.02892	1.7
88.25222	0.5
91.05464	18.1
92.70674	0.4
93.07029	6.0
95.04964	1.2
95.08586	10.0
97.02900	0.7
97.06493	0.5
97.10104	0.7
98.21464	1.0
103.05386	0.5
105.07014	7.3
107.04933	0.4
107.08582	11.0
109.02831	0.5
109.06531	0.8
109.10139	7.8
109.39590	0.4
111.08068	0.8
117.06987	1.9
119.04920	32.9
119.08562	10.8
121.06513	0.6
121.10122	9.6
123.08062	0.9
123.11683	4.8
125.09615	0.7
128.06177	0.7
129.06975	1.3
131.08542	5.0
133.10109	10.9
135.11667	8.5
137.09637	0.6
137.13222	3.4
139.56314	0.4
141.06929	0.6
143.08540	2.6
145.10101	6.4
147.04384	100.0
147.11658	4.6
148.04840	0.6
149.09528	0.5
149.13220	7.4
151.14787	1.8
155.08510	0.9
157.10089	4.9
159.11671	6.2
161.09602	0.6
161.13240	5.1
163.11098	0.6
163.14798	5.4
165.05473	4.3
169.10092	1.7
170.10928	0.5
171.11700	3.6
173.13274	4.4
175.14813	8.8
177.16359	10.4
179.14238	0.9
181.10187	0.4
181.16003	0.5
183.11705	2.1
185.13284	2.7
187.14783	4.6
189.16371	6.3
191.17860	2.1
193.15852	6.1
193.73705	0.5
195.11584	0.7
197.13277	1.3
199.14818	3.6
201.16345	9.3
203.17952	1.9
205.15862	2.0
207.17366	0.8
211.14815	1.3
213.16414	4.4
215.14365	0.7
215.17900	5.6
217.15918	0.8
217.19498	0.8
219.13814	0.6
219.17386	0.6
225.16360	1.6
227.17909	13.1
229.15889	0.6
229.19551	1.8
231.17339	0.6
237.16429	0.7
239.17915	2.0
241.19402	2.2
247.16873	2.2
253.19478	0.9
255.21017	0.8
259.16983	3.4
261.14816	0.6
261.18527	2.6
265.19522	0.7
267.21033	0.9
273.18457	15.3
273.21472	0.8
283.16757	0.8
285.18610	0.9
287.20016	1.7
293.22748	0.6
299.19992	1.1
301.21603	0.7
377.31842	2.2
389.31903	3.5
395.33212	4.1
407.33014	3.8
411.32416	1.3
423.32501	8.9
425.34143	1.1
435.32556	9.2
441.33539	4.4
443.35605	0.5
453.33612	8.8
489.35724	0.5
542.85699	0.4
564.91986	0.6
617.39880	0.8
635.37292	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	635.3931
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.47999	0.2
55.05493	0.7
57.07072	0.3
65.03923	1.3
67.05488	1.1
69.07059	1.4
69.07365	0.3
72.08001	0.2
78.57694	0.3
79.05465	1.5
81.07038	2.7
83.08629	1.1
91.05463	12.5
93.07021	2.7
95.04945	0.7
95.08597	3.9
96.10783	0.2
97.10155	0.4
98.21478	0.3
99.08089	0.3
104.06226	0.2
105.07022	3.8
107.07909	0.3
107.08583	4.3
109.10140	2.7
112.67184	0.2
117.06998	0.6
119.04922	27.6
119.08559	4.5
121.10122	3.4
123.04408	1.8
123.11678	1.1
131.08565	2.1
133.10117	3.8
135.11665	3.3
137.13249	0.4
143.08534	0.7
145.10081	2.9
147.04382	100.0
147.11649	2.4
148.04738	0.9
149.13208	2.8
151.11165	0.3
152.72420	0.2
157.10141	0.6
159.11679	2.6
161.13231	2.3
163.07433	0.4
163.14796	0.9
165.05453	21.2
165.12526	0.3
168.42914	0.2
169.10188	0.4
171.11638	1.2
173.13216	1.6
173.28952	0.2
175.14778	3.0
177.16359	3.2
182.33992	0.2
182.93530	0.3
183.11620	0.4
185.13184	1.2
187.14772	3.0
189.16351	4.0
191.17867	1.2
192.68840	0.2
193.15880	0.6
199.14751	1.1
201.16351	3.0
203.14409	0.4
203.17932	2.2
205.12219	0.3
205.15872	2.4
205.19615	0.3
207.17422	0.5
211.14853	0.3
213.16341	1.2
214.17238	0.3
215.17937	1.2
217.15727	0.4
217.19469	0.4
219.17354	0.6
225.16417	0.3
227.17897	0.4
229.19473	0.4
231.17538	0.4
233.15384	0.5
239.17931	0.6
241.19463	0.3
245.15283	0.2
245.18980	0.3
247.17024	0.3
249.14651	0.3
253.19539	0.3
255.21034	0.4
259.16885	0.6
259.20508	0.2
267.20999	0.4
283.20474	0.4
307.23837	0.3
339.57339	0.3
367.29883	2.1
389.31946	0.7
407.33032	4.2
409.30966	0.9
423.32590	0.9
425.34192	1.5
435.32489	2.9
446.84128	0.3
453.33533	2.5
471.34735	0.4
617.37604	0.3
635.37006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3935
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03945	1.0
55.05507	4.7
57.07054	1.9
59.04991	1.1
63.59012	0.4
65.03934	1.4
67.05499	8.1
69.03414	0.7
69.07054	4.3
70.84916	1.1
71.04983	0.5
72.34266	0.4
77.03912	0.5
79.05480	7.7
80.25591	0.5
81.03413	1.0
81.07046	16.2
83.04974	5.2
83.08601	3.3
85.06510	0.7
91.05469	18.4
93.07033	20.7
95.04961	3.1
95.08592	23.7
97.10155	2.0
97.67677	0.5
98.21383	0.6
99.08044	0.6
105.07015	21.7
107.08576	31.0
109.06516	2.5
109.09386	0.8
109.10141	15.8
111.08070	4.1
115.05402	0.6
115.55682	0.5
117.06992	2.7
119.04929	18.5
119.05818	0.9
119.08564	22.5
121.10131	30.2
123.04362	0.5
123.08045	1.9
123.11692	9.9
125.09613	7.6
126.13053	0.5
128.06204	0.9
129.06995	1.8
131.07632	0.9
131.08546	12.2
133.10110	27.2
135.08031	0.5
135.11674	11.8
137.09627	0.9
137.13206	1.4
139.11201	0.6
142.07764	0.8
143.08534	5.0
144.09285	0.8
145.10110	16.1
147.04388	81.4
147.11662	10.6
149.13216	4.8
151.11168	4.2
151.14743	0.8
155.08510	1.1
156.09299	1.0
157.10107	4.2
158.10854	0.9
159.11673	13.3
161.13213	7.0
163.11188	0.7
163.14806	4.8
165.05467	4.1
165.06697	0.8
165.12823	0.8
169.10107	1.8
170.10869	0.6
171.11678	6.9
172.12428	1.1
173.13226	13.4
175.14803	17.1
177.16357	8.7
183.11667	1.7
185.13206	5.1
186.14073	0.7
187.14806	13.8
189.16353	7.8
191.14281	5.0
191.17924	1.7
193.15872	3.9
197.13257	2.3
199.14784	11.5
200.15491	0.7
201.16362	15.5
203.17899	4.8
205.15874	2.9
205.19478	0.7
207.17415	1.1
211.14793	1.5
213.16353	20.1
214.17154	7.9
215.17912	21.2
217.15796	1.5
217.19502	1.3
219.13841	0.7
219.17438	4.5
223.14861	0.8
225.16348	1.2
227.17975	1.8
229.19551	1.2
231.17455	1.4
231.20901	0.6
233.18979	1.2
239.18085	1.2
241.19536	5.0
243.21008	4.3
253.19470	1.4
255.21054	4.3
257.22504	1.4
259.17020	1.9
267.21091	5.9
269.22629	1.4
281.22592	2.0
311.34839	0.6
319.24136	0.6
341.25058	0.7
349.28912	0.8
389.31982	4.7
395.29367	1.8
407.33032	100.0
408.33362	1.5
409.34552	2.6
417.31573	0.6
423.32544	1.7
425.33948	0.8
435.32611	6.2
453.33603	30.6
635.38837	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	635.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
54.93068	0.3
55.05498	3.1
57.07068	1.3
65.03925	1.6
67.05492	3.4
69.07053	4.6
69.50414	2.0
69.50838	0.7
71.08611	0.3
79.05479	2.7
81.07046	8.0
83.04936	0.4
83.08609	3.9
90.18678	0.3
91.05466	18.3
92.05791	0.4
93.07030	7.9
95.04959	1.1
95.08595	12.4
97.10160	1.3
105.07015	10.3
107.08578	12.9
109.06528	0.4
109.10139	9.5
111.11656	0.4
115.05385	0.3
116.06239	0.3
117.07011	2.1
119.04924	34.2
119.08564	11.7
120.05276	0.3
121.06541	0.4
121.10126	12.7
123.04385	0.6
123.11681	5.3
128.06180	0.6
129.06973	1.3
131.08542	4.5
133.10106	11.8
135.11668	13.9
137.13237	2.5
139.03903	0.4
142.07784	0.6
143.08548	2.9
145.10097	5.2
147.04385	100.0
147.11662	8.0
148.04726	0.9
149.05923	0.4
149.09618	0.3
149.13231	9.7
151.14806	0.9
155.08519	1.1
156.09294	0.4
157.10091	2.9
159.11674	4.6
161.09720	0.3
161.13239	6.1
163.03844	0.6
163.14793	5.6
165.05455	8.1
167.08507	0.5
168.09306	0.4
169.10091	2.1
170.10896	0.3
171.11641	3.4
173.09589	0.6
173.13229	2.9
175.11185	0.3
175.14771	4.4
176.50673	0.3
177.16356	18.3
179.17982	0.4
181.04883	0.5
181.10094	0.6
183.11697	2.3
185.13223	5.1
187.14790	4.1
189.12718	1.0
189.16354	8.6
191.14236	1.0
191.17914	6.7
195.11627	0.5
197.13245	1.6
199.14816	4.3
201.16336	4.4
203.14252	1.1
203.17918	24.0
204.18359	0.6
205.12236	0.7
205.15831	1.0
205.19508	2.0
207.13695	0.3
209.13248	0.8
211.14734	2.0
213.16328	2.1
215.10678	0.4
215.14429	0.5
215.17926	2.0
217.12238	0.6
217.15904	1.0
217.19447	2.9
219.17474	0.4
221.15176	0.4
223.14827	0.7
225.16391	1.2
227.17909	1.2
229.12215	0.7
229.15862	0.7
229.19455	0.3
231.13748	0.9
231.17349	0.7
233.15318	0.8
237.16357	0.9
239.17879	0.8
241.19513	0.9
243.13762	0.7
245.15329	1.1
245.18950	0.4
251.17911	0.5
253.19508	0.7
255.21051	0.5
257.15323	0.9
257.19092	0.3
259.16946	0.5
265.19525	0.3
267.21066	0.6
271.16995	0.4
271.20432	0.3
275.16324	1.2
279.21063	0.8
285.18433	0.4
285.21964	0.3
297.22018	0.6
313.21466	0.4
325.21500	0.7
343.22647	0.4
349.28848	0.4
357.24393	0.3
383.25839	0.5
389.32031	2.5
395.33218	0.4
407.33044	5.0
408.33261	0.3
423.32550	0.6
425.33926	0.3
435.32620	3.7
441.33398	0.3
453.33582	16.8
454.33859	0.8
507.28635	0.3
635.39172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66607	0.3
55.05494	0.5
57.07055	0.5
63.27616	0.3
67.05489	0.8
69.04646	0.3
69.07056	0.4
69.49099	1.1
69.49522	2.4
71.08614	0.3
79.05479	0.7
81.07035	1.4
91.05444	0.5
91.08198	0.3
93.07065	0.6
95.04997	0.4
95.08609	0.7
100.39803	0.3
104.76944	0.3
105.07043	0.6
107.08581	0.4
109.10152	0.4
119.08557	0.6
120.80192	0.3
121.10106	0.5
147.19179	0.3
211.12170	0.6
221.10779	0.5
223.12378	0.6
233.10625	0.6
234.11336	0.4
235.12276	0.6
235.69423	0.4
237.13867	0.6
239.11916	0.3
249.10127	0.4
249.13863	0.4
263.12253	0.3
286.09354	0.3
311.14453	0.3
351.13269	0.3
359.44351	0.3
366.15665	0.4
375.16113	0.4
387.16968	0.3
389.17734	1.1
390.18292	0.4
391.18994	0.4
401.17932	0.6
402.18445	0.9
403.19174	2.3
403.51788	0.3
404.20038	1.1
405.20645	1.1
415.19458	0.5
416.15683	0.6
416.20465	0.7
417.15829	0.5
417.21155	4.2
418.21548	1.2
419.22467	1.7
429.20972	1.0
430.18002	1.5
431.17987	5.6
431.23453	0.8
432.18570	2.1
432.24506	0.5
433.24365	2.2
443.18500	0.9
444.19287	0.7
445.19913	6.9
446.20544	2.2
447.21759	1.0
457.20627	0.4
458.21307	0.4
459.17386	1.1
459.21786	3.2
460.22839	3.0
461.23746	3.2
472.22516	0.6
473.19519	1.4
473.23981	0.9
474.20303	0.6
475.21014	1.5
477.22894	0.9
487.21161	1.1
487.25443	0.5
488.22009	3.2
489.22842	6.3
490.23178	0.4
491.24310	0.5
501.23016	0.6
502.23450	0.5
505.22153	0.6
515.24176	1.1
517.22522	0.6
519.21692	0.5
519.28265	0.6
523.39984	1.2
531.23889	0.5
532.24646	0.9
533.21967	1.0
543.24011	0.4
547.27356	8.0
563.22742	0.5
575.26477	22.5
576.26715	1.5
603.25977	0.8
606.25476	0.5
607.28973	1.5
617.44128	0.7
635.28540	100.0
636.28815	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	635.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
63.73824	0.3
67.05495	1.4
68.05013	0.4
69.03429	0.6
69.07057	2.2
70.06555	0.4
72.08127	0.6
73.43555	0.3
79.05471	0.6
81.03376	0.9
81.06996	0.8
82.06551	0.6
83.04991	0.4
85.02872	0.9
86.09663	0.4
91.05443	0.9
93.05766	0.4
93.07019	0.5
94.06544	2.9
95.04928	0.6
95.08552	0.4
96.08035	0.3
97.02860	0.3
97.06511	0.4
98.06013	0.5
105.06979	0.4
106.06525	2.1
107.07316	0.5
107.08569	0.4
108.08076	1.3
109.02832	0.6
110.06023	2.9
112.07578	0.6
114.10236	0.3
114.12760	0.5
118.06503	0.5
119.04930	0.6
120.04419	1.4
120.08050	1.3
121.10080	0.6
121.78872	0.3
122.06004	8.4
123.08047	0.5
124.07545	0.8
126.05492	1.4
127.03885	0.6
128.07053	0.4
132.04385	0.4
132.08093	0.5
133.10107	0.7
134.05968	0.9
135.11729	0.5
136.07552	27.1
137.05936	0.4
137.07878	0.7
138.05481	1.6
140.07033	16.1
144.08058	1.0
145.02838	0.6
146.05983	4.4
146.09612	0.9
147.04384	1.0
147.06792	0.3
148.06430	0.6
148.07541	8.6
148.11061	0.5
150.09119	0.7
151.07501	0.4
152.07045	2.3
154.04955	0.4
154.08560	0.4
158.05972	2.2
160.07539	0.6
162.05510	0.9
163.03862	1.0
164.07037	52.4
165.07346	1.2
165.63914	0.3
166.08612	18.6
167.08788	0.3
172.03880	0.8
172.07584	0.5
173.04663	0.5
174.05489	5.7
174.09116	0.7
176.07037	8.5
177.05435	0.9
177.07591	0.4
182.09537	0.3
187.06137	0.4
189.12625	0.3
190.04962	3.5
190.08601	0.5
191.05695	1.0
192.06499	1.2
192.10110	0.4
196.11253	0.4
197.10680	0.9
198.11456	0.3
200.07019	0.8
202.04906	0.5
204.06488	0.8
205.07298	0.4
207.06345	0.6
207.13713	0.4
208.07231	0.3
209.10606	1.5
210.11449	3.4
211.08612	0.4
211.12247	2.6
212.12854	0.4
213.10287	0.6
216.10179	1.3
218.08122	4.0
221.10710	1.0
222.11383	0.6
223.12216	4.3
224.09384	0.5
224.12990	2.9
225.10309	1.5
225.13675	1.8
226.10916	0.6
227.08075	0.4
227.11781	1.0
234.11497	0.3
235.08614	0.9
235.12297	1.3
236.09161	1.1
236.12929	1.5
237.10170	4.8
237.13835	2.8
238.10962	7.1
238.13493	0.4
238.14520	0.5
239.11748	13.1
239.90361	0.3
240.12347	0.7
241.09616	0.4
241.13264	0.4
243.11214	1.5
244.05956	0.9
244.09778	0.3
246.07599	4.0
247.12305	0.5
248.09412	0.7
249.10191	2.4
249.13840	0.4
250.10927	2.4
251.11761	11.3
252.12531	3.8
253.13339	5.9
254.10591	0.5
255.11336	0.7
261.09998	0.6
261.12354	3.4
262.07047	2.8
262.10907	0.8
263.07956	0.8
263.11758	7.0
264.08679	4.6
264.12506	1.9
265.09769	2.1
265.13309	18.6
266.10526	1.6
266.13870	2.0
267.11227	2.7
267.14801	1.4
268.12186	0.5
269.12738	3.5
270.13498	1.1
271.11050	0.6
271.14328	3.3
275.11743	1.0
277.09668	2.4
277.13235	1.4
278.10339	2.3
279.11209	45.2
280.11856	4.5
281.12790	1.9
282.13412	0.7
283.10703	1.3
283.14365	4.4
284.11511	0.7
284.15018	0.5
285.12360	1.8
287.13858	9.2
291.11301	2.8
292.11996	1.1
293.12811	8.9
294.13562	1.5
295.10681	2.7
295.14316	1.4
296.11496	2.7
296.14664	0.3
297.12268	23.8
298.12985	3.5
299.13815	1.3
303.13483	0.6
305.14902	2.7
309.12271	16.8
310.13046	9.8
311.13837	64.6
312.14554	13.2
313.11740	5.2
313.15405	6.7
314.16000	0.7
315.13409	0.6
316.14185	0.5
319.10660	2.9
320.11401	0.8
321.12253	4.1
323.10263	1.5
324.10907	1.5
325.11783	1.8
326.12466	0.4
328.14346	0.4
329.11868	0.4
331.12888	2.6
332.13681	0.3
337.11765	36.2
338.12494	12.0
339.13351	25.4
339.16571	0.4
340.14017	2.1
346.15741	0.4
355.12775	1.6
356.13696	0.5
357.14487	2.1
358.15210	0.7
372.17264	0.4
374.14890	1.2
375.15744	0.4
376.16794	0.4
383.12454	0.9
384.13147	0.4
385.14108	0.3
388.16321	0.5
390.18292	0.7
392.16013	0.5
397.13705	0.3
398.15027	1.1
399.15738	1.7
400.16434	2.0
401.13373	18.5
402.13727	0.8
408.19012	0.6
409.85043	0.3
416.15869	1.8
417.16727	1.0
418.17456	1.1
430.17627	0.7
431.17328	0.4
432.19199	0.8
434.16586	2.3
435.17575	0.7
438.20206	0.7
440.16010	0.9
450.19962	1.8
452.21738	100.0
453.22134	5.3
454.23431	0.9
455.35147	0.5
456.87469	0.3
458.17056	4.6
459.17740	0.7
464.17972	0.5
476.18173	8.1
477.18558	1.0
478.19672	22.6
479.20081	1.0
480.21204	1.9
494.19141	9.8
495.19925	2.5
496.20706	4.8
513.51593	0.3
573.26471	0.9
575.24725	2.0
591.28107	1.7
599.24969	4.5
617.25916	9.9
618.25958	0.9
635.26996	29.8
636.27289	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	634.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67384	0.1
51.94194	0.1
53.03930	0.1
55.05497	0.2
57.03403	0.1
61.02921	0.2
67.05485	0.3
69.03410	0.3
69.07045	0.3
70.06587	0.4
70.06934	0.1
71.04981	0.3
72.08137	0.3
79.05478	0.4
81.03397	0.2
81.07040	0.7
82.44817	0.1
83.04961	0.2
85.02879	0.5
85.06500	0.1
86.09689	0.5
90.23034	0.1
91.05459	1.4
93.07040	0.5
94.06551	0.1
95.04945	0.2
95.08601	0.6
96.08118	0.1
96.08907	0.1
97.02879	0.4
97.06507	0.3
97.07646	0.1
98.21488	0.3
103.05441	0.2
104.06213	0.2
105.03313	0.1
105.07020	2.4
107.04945	0.2
107.08578	0.5
109.02856	0.2
109.06496	0.2
109.10143	0.5
110.02394	0.2
111.04404	0.2
111.08099	0.1
114.09148	0.2
114.10279	0.2
114.12785	0.1
117.07018	0.3
118.06517	0.2
119.04907	0.5
119.08566	0.5
120.08141	0.1
120.08956	0.1
121.06469	0.3
121.10132	0.4
122.06032	0.3
122.09674	0.1
123.08059	0.2
123.11689	0.3
125.09621	0.1
126.09115	0.2
127.03893	0.3
129.06972	0.1
130.08598	0.2
131.04945	0.1
131.08578	0.3
132.08032	0.6
133.08853	7.1
133.10036	0.4
134.09219	0.1
135.08041	0.2
135.11674	0.3
136.07564	0.1
137.05940	0.2
137.09598	0.3
137.12000	0.1
138.12749	0.3
139.03703	0.1
140.07031	0.1
141.06987	0.1
143.08597	0.1
145.02827	0.1
145.04922	0.2
145.06462	0.4
145.10129	0.3
146.09499	0.1
147.04390	1.2
147.10472	0.1
147.11679	0.2
148.11185	100.0
149.05986	0.1
149.09685	0.1
149.11546	1.9
149.12814	0.1
149.13284	0.2
150.05481	0.3
151.06291	0.2
151.11188	0.1
152.07005	0.2
155.08490	0.1
157.10139	0.1
158.07271	0.1
159.08041	0.1
159.11690	0.2
160.07495	0.1
160.09657	0.1
161.06001	0.1
161.09610	0.1
161.13235	0.1
163.03914	0.3
163.14807	0.1
167.07033	0.2
171.11665	0.1
173.06001	0.4
173.09587	0.2
173.13246	0.2
175.03903	0.8
175.11086	0.1
175.14803	0.1
177.05455	0.4
177.09108	0.1
177.16321	0.1
181.08640	0.2
181.13350	0.2
187.14926	0.1
189.09038	0.2
190.08623	0.5
201.09151	0.2
201.16365	0.2
202.08563	0.5
207.06517	1.9
213.16295	0.1
214.55939	0.1
219.11278	0.3
230.60144	0.1
233.11642	0.5
239.11606	0.1
247.18033	6.4
248.18314	0.2
251.12726	0.2
264.12137	0.2
265.13300	0.2
266.13666	0.2
275.17505	11.5
276.17874	0.3
279.11285	0.2
280.11694	0.2
287.13843	0.1
297.12070	0.2
298.12674	0.2
309.12393	0.2
310.12531	0.1
311.13708	0.2
312.14020	0.1
332.19687	1.2
337.11911	0.2
338.12274	0.2
339.13312	0.3
340.13782	0.3
360.19150	1.9
361.19620	0.1
365.28326	0.1
366.28558	0.1
369.14395	0.1
370.14743	0.2
371.15924	0.2
372.16263	0.4
376.41714	0.1
384.29675	0.1
385.11224	0.1
437.33817	0.1
453.33572	0.1
455.35217	0.2
460.18231	0.1
461.18692	0.3
473.36185	0.5
478.19928	0.1
479.19754	0.3
481.22302	0.1
493.21872	0.2
511.22726	0.2
602.26862	0.4
634.35754	6.7
635.35242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3776
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
53.03937	0.6
54.35340	0.4
55.05497	3.4
57.07049	1.2
60.18114	0.4
61.78786	0.3
65.03919	1.4
67.05496	4.4
69.03384	0.5
69.07055	4.0
70.97722	0.9
71.47593	0.3
79.05464	3.4
81.06592	0.6
81.07040	8.3
83.04940	0.8
83.08606	3.8
85.02851	0.5
86.25605	0.3
91.05458	17.5
92.05830	0.4
93.07026	7.7
95.04951	1.3
95.08585	10.1
96.08872	0.5
97.06523	0.5
97.10145	0.9
103.05447	0.5
105.06307	0.7
105.07009	11.1
107.04992	0.5
107.08575	12.3
109.06480	1.2
109.10137	7.6
111.08019	0.5
111.11719	0.5
117.07008	2.1
119.04920	31.4
119.08553	13.4
120.05262	0.4
121.06567	0.4
121.10117	9.6
123.08076	0.9
123.11691	4.0
125.05950	0.5
125.09583	0.6
128.06145	0.5
129.07030	1.7
131.08537	5.6
133.06470	0.5
133.10106	14.6
135.08075	0.6
135.11664	9.2
137.09608	0.6
137.13214	1.4
138.22200	0.4
143.08528	3.5
145.10100	6.7
147.04379	100.0
147.11661	7.0
148.04735	1.7
149.09631	0.7
149.13231	4.1
151.07535	0.7
151.11200	0.8
155.08559	1.6
156.09306	0.5
157.10095	4.9
159.08020	0.6
159.11665	5.8
160.12442	0.4
161.09621	0.8
161.13216	5.8
163.11214	0.6
163.14799	6.3
165.05463	4.5
166.07611	0.4
169.10109	2.3
171.11646	3.7
173.09558	0.5
173.13225	5.2
175.11263	0.6
175.14787	11.2
177.12827	0.4
177.16338	9.3
178.16750	0.6
179.14233	0.8
181.10121	1.2
183.11636	2.2
185.13226	3.8
187.14790	6.9
189.16348	17.4
191.14230	0.6
191.17877	1.8
193.15892	2.3
195.11705	1.2
197.13184	2.3
199.14787	6.1
201.16333	7.3
203.14253	0.5
203.17926	4.5
205.15884	1.3
207.11711	0.4
207.17395	3.6
209.13281	1.1
210.13977	0.4
211.14722	1.8
213.12683	0.5
213.16324	5.0
214.16861	0.4
215.14348	0.7
215.17934	3.9
217.15854	0.9
219.13858	0.6
219.17447	0.4
221.13261	0.5
221.15291	1.1
223.14838	0.8
225.16316	1.7
225.18419	0.8
227.14258	0.5
227.17905	2.8
229.15910	0.6
229.19435	1.6
231.17398	0.4
233.13324	0.6
233.15421	0.5
235.14781	0.4
237.16367	0.7
239.17982	1.6
241.19456	2.3
243.13683	0.6
245.15344	1.2
249.16174	0.4
251.17931	0.7
253.19536	1.7
255.21039	0.9
259.16968	1.2
261.14844	0.7
261.18542	0.8
265.19550	0.6
267.21042	0.9
271.16870	0.5
273.18527	0.7
277.19434	0.6
281.22687	0.8
283.16800	0.5
285.18500	1.3
293.22705	0.7
299.20190	0.5
307.24249	0.7
311.19772	0.4
313.21494	1.0
377.24762	0.6
377.31894	4.5
387.30338	3.6
395.33044	0.7
405.31531	4.1
409.27515	0.9
411.32672	0.6
421.30997	1.6
423.32498	14.5
424.32877	0.5
433.30948	11.1
434.31271	0.8
439.32291	1.0
451.31961	10.3
451.38199	0.5
452.32318	0.9
469.32950	1.0
633.33710	0.6
633.41058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.398
Annotation	Rubuside E
Peak:m/z	Relative Intensity
53.03932	4.4
55.01858	4.7
55.05503	17.1
57.03434	6.1
57.07072	2.5
59.04984	4.1
59.54834	0.9
65.03922	3.9
67.05494	100.0
68.99738	1.1
69.03421	34.2
69.07053	16.0
69.30555	1.0
70.84672	1.7
71.01328	1.3
71.04980	5.9
71.08634	1.0
79.05484	32.9
81.03407	20.7
81.07045	41.9
83.04964	8.0
83.08611	11.1
85.02881	4.6
85.06536	3.8
87.04449	1.1
91.05465	31.4
93.07029	35.1
95.04957	11.2
95.08594	28.3
97.02886	6.9
97.06535	4.5
97.10158	7.4
99.04465	3.2
99.08092	2.0
103.05443	1.2
105.07021	24.9
107.04943	2.4
107.08585	22.1
109.02865	4.9
109.06538	6.4
109.10142	58.1
111.04428	7.2
111.08073	5.1
113.05984	1.3
115.05435	1.9
116.26334	0.9
117.07005	13.8
119.08557	26.5
121.06472	3.1
121.10128	15.8
123.04418	1.8
123.08054	5.2
123.11713	2.6
125.05941	1.5
125.09593	5.4
127.03918	4.1
127.07542	1.2
128.06184	1.9
129.05539	1.2
129.06984	9.4
130.07767	1.7
131.04895	1.0
131.08546	18.0
131.09447	1.7
133.06502	3.4
133.10107	15.4
135.08040	5.2
135.11667	9.2
137.05925	1.2
137.09590	5.2
137.13272	1.0
139.11189	0.9
141.07007	3.5
142.07774	2.0
143.08539	6.9
145.06468	3.7
145.10091	12.3
147.04398	1.9
147.08049	3.6
147.11673	9.9
149.06021	0.9
149.09576	4.3
149.13243	5.3
151.11174	1.5
155.08551	4.2
155.10631	2.3
156.09358	1.2
157.06537	1.3
157.10095	7.5
159.08029	3.1
159.11685	10.2
160.06709	0.9
160.08646	1.0
161.09625	4.2
161.13222	5.5
163.11185	2.8
163.14804	1.9
165.12802	1.6
167.08582	2.3
169.10100	4.5
170.10829	1.0
171.08058	2.4
171.11659	6.8
173.04459	1.0
173.09589	2.6
173.11749	14.6
173.13257	7.1
175.11194	3.9
175.14844	2.9
177.12749	2.3
177.16338	1.4
179.14413	1.1
181.10081	1.2
181.12303	1.1
183.07988	1.0
183.11736	4.9
185.09657	2.2
185.13199	4.4
187.11183	1.8
187.14825	3.8
189.11195	2.6
189.12776	2.4
189.16508	1.6
191.10590	1.7
193.12256	1.3
195.11722	2.7
195.13651	1.1
197.13271	3.4
199.11253	1.9
199.14885	3.4
201.12805	2.1
201.16409	2.1
203.14476	1.6
203.17981	1.4
209.13310	1.5
211.11133	1.2
211.14851	1.8
213.12816	1.8
213.16566	1.3
221.15279	1.6
223.14983	1.6
225.12820	1.5
225.16385	1.2
227.12611	2.1
229.14297	20.5
229.16345	1.1
231.42369	1.0
235.14813	0.9
239.14305	1.2
241.19603	1.1
243.85538	1.1
255.21278	1.1
259.20599	2.6
261.22186	2.6
263.12735	1.0
273.18579	1.0
273.21918	1.2
275.20123	1.4
275.23361	1.0
277.21677	2.4
283.20490	1.5
285.18689	1.2
285.22098	1.4
289.21552	1.1
291.19574	0.9
291.23306	1.1
299.14926	4.1
301.21591	6.3
303.23062	1.3
313.18066	1.1
317.24713	1.7
319.22763	2.4
327.23270	3.4
331.22684	1.9
335.25909	1.2
339.23224	1.1
341.24832	2.5
345.24240	2.5
351.23090	5.0
353.24548	2.0
355.17560	2.8
366.29617	1.1
369.24234	12.0
375.25491	1.6
387.25235	6.7
405.26456	3.1
443.27908	5.3
461.28928	7.3
489.36252	1.9
517.35162	1.6
547.35992	1.8
579.36810	1.4
585.38568	2.0
597.37781	10.0
615.38947	10.6
633.39905	74.0
634.40533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54957	0.4
55.05461	0.6
57.61508	0.3
58.70082	0.3
61.02896	0.7
61.08110	0.3
63.28516	0.3
67.05495	5.1
69.03402	0.9
69.07026	1.4
69.82074	1.9
69.82493	0.7
70.06529	0.4
71.04947	1.0
79.05441	1.3
81.07043	2.4
85.02901	2.3
86.09666	0.6
91.05466	1.6
93.07047	2.3
94.06561	4.8
95.04923	0.7
95.08588	3.2
97.02843	1.1
105.06996	2.0
106.06549	0.5
107.08562	2.0
108.08119	1.7
109.10152	2.6
111.04404	0.4
111.08060	0.4
117.06950	0.4
119.08579	2.2
120.08069	1.2
121.06466	0.4
121.10115	1.9
122.06010	13.8
123.08005	1.0
123.11652	1.0
124.07533	0.9
127.03882	0.4
130.08582	0.4
131.08493	1.0
133.10107	1.9
134.06001	2.7
134.09653	0.4
135.11629	1.3
136.06567	0.4
136.07558	8.4
137.09499	0.7
138.09056	1.3
140.07019	2.3
143.08548	0.7
144.08002	0.5
145.10085	1.6
146.05962	2.4
146.09514	0.4
147.04401	1.2
147.11688	0.9
148.07526	1.5
149.13213	0.6
152.07033	0.7
154.14238	0.4
157.10048	0.4
159.11615	0.7
160.07536	0.7
161.13152	1.1
162.05432	0.9
163.03864	1.1
163.07466	0.4
164.07040	7.4
165.07329	0.3
166.08609	6.1
167.07188	0.4
172.03839	1.1
172.07512	0.8
173.13196	1.0
174.05420	1.6
174.08990	0.5
175.14825	0.6
176.07037	0.8
177.05302	0.7
177.16301	0.6
183.11673	0.6
185.13245	0.8
187.14796	0.6
189.16379	0.4
190.04916	1.1
197.10847	0.4
201.16344	0.6
204.06508	1.3
209.10698	0.9
210.11392	0.6
211.08556	1.0
211.12378	0.5
211.14729	0.4
213.10143	0.9
213.16248	0.4
220.09714	0.7
221.10645	1.5
222.09297	0.7
222.11307	3.1
223.08597	3.8
223.12097	2.3
224.10965	0.6
224.12817	1.8
225.10188	10.1
225.13774	1.0
227.11694	0.7
229.16077	0.3
234.11403	0.6
235.08495	3.6
235.12128	2.5
236.09221	2.2
236.12994	1.4
237.10202	6.3
237.13803	4.3
238.10925	5.9
239.11761	7.2
239.15384	0.9
240.12434	1.0
241.09734	0.8
241.13171	0.6
245.10622	0.5
246.11525	0.6
247.12224	2.2
248.09485	3.4
248.13144	0.7
249.10158	10.5
249.13902	1.0
250.08345	0.7
250.10910	12.6
251.08127	5.2
251.11742	28.0
252.08701	0.7
252.09615	0.5
252.12492	7.5
253.13339	3.3
255.11179	0.6
255.14874	1.0
261.10123	1.3
262.10941	1.7
263.08786	0.8
263.11755	22.4
264.08929	2.0
264.12540	14.0
265.09747	6.8
265.13306	39.2
266.10446	2.8
266.13919	3.6
267.11218	2.4
267.14847	5.6
268.12054	0.4
269.12976	0.9
275.11783	1.7
276.10049	1.0
276.12738	0.7
277.09665	4.9
277.13312	1.8
278.10434	4.3
279.11249	15.6
280.11862	2.8
281.09534	0.7
281.12726	5.3
282.13553	0.7
283.10782	6.0
283.14041	0.7
284.11288	0.8
285.12299	0.8
287.13992	0.9
291.11218	4.8
292.11887	2.4
293.09491	0.8
293.12793	14.2
294.11038	0.8
294.13733	4.3
295.10730	5.4
295.14349	5.2
296.11533	7.0
297.12286	7.3
298.13239	2.2
305.09106	0.8
307.10760	0.8
309.12286	33.9
310.12961	5.5
311.13849	51.6
312.14221	3.4
313.11829	1.1
319.10706	5.2
319.14240	0.5
320.11542	3.1
321.12274	8.6
322.13290	0.6
323.10410	0.7
323.13791	1.0
324.11014	3.6
325.11761	2.8
327.13763	0.7
330.15979	0.6
335.13934	0.5
336.14966	0.4
337.11777	38.1
338.08298	0.5
338.12491	12.8
339.13354	64.6
340.13864	4.0
341.15161	0.8
344.13968	0.6
345.14569	0.6
347.14206	0.4
353.15048	1.4
356.13702	0.6
357.14417	5.0
358.15195	0.9
359.16055	0.6
365.28448	0.5
367.26599	0.5
369.14413	45.1
370.15030	3.1
371.15955	100.0
372.16446	5.7
383.29465	0.5
384.13168	0.4
386.18561	0.7
387.16223	0.5
388.16010	0.4
400.16336	1.0
404.19742	0.4
414.18262	2.2
415.87851	0.4
416.19675	7.3
420.18619	0.5
432.19147	12.9
433.19388	1.0
435.32315	0.6
436.22672	0.8
442.17621	3.0
452.21884	1.8
453.33600	0.6
460.18607	74.8
461.18997	5.3
462.20331	2.9
466.19659	0.8
471.34286	0.5
478.19681	5.1
479.20319	0.9
480.21249	65.9
481.21597	4.6
492.21240	48.6
493.21548	3.5
510.22235	2.9
511.22934	2.3
512.23920	2.9
513.24548	0.5
557.27246	0.9
583.25610	1.8
601.26501	22.9
602.26721	1.9
633.28754	2.3
633.39740	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	632.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01853	0.8
55.05498	3.5
57.03431	1.7
57.07063	1.9
57.10706	0.2
58.95289	0.3
59.04305	0.2
61.02908	2.4
65.03912	0.4
65.78660	0.3
67.05491	6.3
68.05007	0.4
69.03417	8.5
69.07056	8.1
70.06588	0.7
71.04971	1.1
71.08604	0.8
73.02892	1.0
79.05478	5.4
80.04995	0.6
81.03397	3.4
81.05759	1.0
81.07039	27.1
82.06561	1.3
83.01307	0.5
83.04965	1.2
83.08602	4.5
85.02888	24.9
85.06528	2.3
87.04439	1.0
91.03925	0.9
91.05453	0.7
93.07033	2.7
94.06557	1.4
95.04945	0.8
95.08589	18.1
96.08101	2.8
96.08890	0.5
97.02872	6.8
97.06486	0.3
97.10148	2.5
98.21441	0.6
99.04427	1.5
99.08064	0.9
100.07606	0.4
105.06995	1.0
107.08559	3.1
108.08102	0.4
109.02837	3.1
109.10136	9.9
111.11697	1.7
112.07572	1.6
114.09143	63.2
115.09446	0.6
117.07030	0.3
119.08556	0.7
121.06552	0.3
121.10127	1.6
122.05992	0.9
123.11677	5.0
125.13233	0.4
127.03881	4.3
127.11115	0.5
128.07069	2.0
130.08612	0.6
131.08488	0.3
133.08769	0.3
133.10149	0.3
135.11676	1.6
136.07538	1.6
137.13226	2.8
140.07076	1.7
142.08644	0.4
145.04901	1.8
146.05962	0.7
148.07553	0.5
148.11183	4.5
149.13223	1.7
151.14798	2.6
158.08098	6.9
159.11600	0.4
160.09657	100.0
161.10007	1.6
163.03908	0.3
163.06085	0.4
163.14795	0.8
164.07028	1.5
164.57489	0.3
165.16447	0.6
166.08565	0.8
172.03915	0.4
174.05444	0.3
176.07063	0.9
177.16379	0.4
179.18013	0.3
199.82748	0.3
204.06497	0.9
205.19504	0.4
219.21088	0.3
237.10172	1.0
237.13882	0.4
238.10960	1.3
239.11842	1.2
247.08481	0.3
249.10234	1.1
250.10939	1.0
251.11761	3.2
253.13324	0.4
263.11807	2.1
264.12338	1.1
265.09683	0.8
265.13342	4.6
266.10504	0.5
266.14127	0.4
267.15082	0.4
269.12833	0.3
271.14371	0.6
275.27286	0.5
277.09610	0.3
278.10400	0.8
279.11234	8.2
280.11850	0.4
281.12805	0.6
285.12512	0.3
287.13882	0.6
289.19125	0.4
291.11234	0.9
292.11710	0.3
293.12830	1.5
293.28326	2.8
295.10950	0.5
295.14426	0.9
296.11618	0.5
297.12259	4.7
298.13162	0.6
309.12283	5.7
310.13046	1.7
311.13898	4.1
311.29520	0.7
313.11740	0.4
319.10776	0.8
321.12430	1.0
324.10999	0.4
324.14471	0.4
325.11804	0.6
331.12323	0.3
337.11719	5.3
338.12393	2.1
339.13333	9.1
345.14539	0.4
368.13480	0.3
369.14395	5.3
369.18823	0.4
370.15158	1.2
371.15933	17.2
438.19940	0.3
460.18674	3.7
466.19946	0.4
470.38336	15.4
471.38565	0.6
478.19678	3.3
479.20435	0.4
480.21320	2.6
492.21399	1.1
509.20993	0.5
510.22266	10.7
511.23264	0.8
512.24213	0.3
583.26007	0.3
601.26404	9.3
632.43567	53.6
633.29095	1.3
633.44147	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	633.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01861	0.8
55.05496	2.2
57.07049	0.9
61.02914	1.4
67.05486	4.2
67.39502	0.4
69.03403	1.8
69.07056	3.8
70.95093	0.9
70.95460	1.1
71.04981	2.5
73.02899	1.1
76.90217	0.5
78.52041	0.7
79.05476	3.5
81.03408	0.8
81.07038	9.7
83.04957	5.6
83.08576	1.1
85.02894	5.2
85.06524	0.9
85.87787	0.5
91.03947	0.6
91.05484	3.3
93.07029	7.0
94.06550	1.8
95.04951	1.7
95.08587	9.2
97.02862	2.1
97.06500	1.0
99.04462	0.7
102.72363	0.6
105.07003	5.6
106.06541	0.6
107.04895	0.5
107.08560	8.7
108.08080	0.7
109.02798	0.6
109.06479	2.0
109.10131	4.0
111.08089	0.6
113.09607	0.8
117.07014	1.3
119.04890	0.8
119.08559	6.4
121.10124	6.3
122.05991	4.7
123.08064	4.1
123.11681	2.2
124.07557	0.7
125.09594	0.9
127.03891	1.4
129.06934	0.6
131.08545	2.9
133.10103	5.0
134.06003	0.9
135.07994	1.3
135.11656	7.3
136.07538	8.4
137.09586	16.2
137.13223	1.8
138.05478	1.1
139.11235	0.5
140.07034	5.9
141.09081	0.9
142.07738	0.7
143.08546	1.5
143.84586	0.4
145.05003	1.3
145.10083	3.6
146.06017	2.7
146.09616	0.8
147.04324	2.4
147.11635	4.2
148.07526	1.4
148.11180	8.8
149.13264	2.0
152.07050	1.3
154.05002	0.7
155.08624	0.8
157.10152	2.7
159.08075	0.9
159.10408	0.6
159.11641	3.2
160.09711	1.3
161.13161	2.3
162.05479	0.8
162.09155	0.6
163.03899	1.8
163.11166	0.9
163.14798	1.2
164.07028	12.0
166.08595	2.9
167.06941	0.6
169.10104	1.0
171.11644	1.4
172.03938	2.2
173.09610	1.0
173.13252	1.8
174.05484	1.4
175.11200	1.1
175.14806	2.4
176.07004	4.0
177.12656	0.9
177.16368	0.6
179.10654	0.6
183.11652	1.4
185.13255	1.2
187.11227	0.8
187.14799	1.7
189.16394	2.2
190.04979	0.9
191.17920	1.3
197.13234	1.2
199.14832	1.0
201.16357	1.8
203.17993	1.7
204.06471	4.8
206.08133	1.8
210.11461	1.5
211.14798	0.9
213.16241	1.1
215.14189	0.7
215.17938	0.6
217.19547	0.7
218.08046	0.7
220.09915	0.6
222.11452	1.6
223.12259	1.1
224.13110	0.9
225.10211	1.6
227.17845	0.6
229.15869	0.8
235.08600	0.8
235.12276	1.6
236.13028	0.8
237.10152	6.3
237.13908	1.8
237.16165	0.6
238.10965	2.8
239.11723	4.3
241.19414	0.6
243.21074	0.9
247.12302	0.9
248.09288	3.4
249.10144	4.7
250.10941	4.0
251.11777	6.0
252.12390	1.1
253.13403	1.5
255.11156	0.7
255.21243	1.0
261.10001	0.6
261.12473	1.2
262.11078	0.7
263.11746	20.2
264.09589	0.7
264.12405	4.1
265.09741	6.1
265.13348	16.1
266.10458	1.3
266.13968	1.7
267.11191	1.1
269.12817	2.2
271.14398	1.2
275.11795	0.7
275.17575	0.8
277.09781	1.0
277.13443	0.7
278.10272	1.2
279.11215	28.6
280.11798	2.9
281.12851	1.8
282.13617	1.5
283.14233	0.9
285.12271	1.0
287.13882	1.8
289.15488	0.8
291.11188	5.5
291.13928	0.7
292.11926	1.1
293.12738	4.8
293.22589	0.9
294.13367	0.6
295.10773	1.7
295.14267	0.9
295.24304	0.7
296.11447	1.7
297.09286	0.4
297.12277	20.6
298.12952	1.9
309.12271	42.8
310.13000	13.5
311.13791	6.2
311.23621	1.3
313.11853	1.5
319.10651	2.6
320.11005	0.6
321.12308	2.2
323.10349	0.8
323.13855	0.7
325.11841	1.2
331.12875	0.6
337.11755	30.2
338.12469	13.2
339.13324	16.9
340.14017	1.8
345.14484	1.9
357.24200	2.2
365.28323	3.2
369.14398	55.8
370.15018	11.6
371.15909	14.3
372.16479	1.2
383.29446	2.7
400.16354	0.7
411.32410	0.7
435.32373	4.2
437.34091	0.9
438.19937	1.8
450.20215	1.0
453.33582	11.8
460.18622	12.6
461.18970	1.3
466.19910	1.4
471.34616	26.9
472.34955	0.7
478.19565	11.0
479.19922	1.9
480.21323	3.0
492.21228	2.3
493.21823	0.7
496.21344	0.6
510.22275	100.0
511.22629	8.8
535.32214	1.0
583.24896	0.9
601.26471	17.0
602.26886	2.0
615.38983	0.6
633.28693	3.8
633.39899	5.1
634.36652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51067	0.2
52.39668	0.2
53.03922	0.9
55.01866	1.2
55.05502	7.6
57.03428	1.7
57.07064	3.3
58.06596	0.4
59.04991	0.3
61.02920	2.4
63.00396	0.2
67.05495	3.2
68.05000	0.6
69.03419	7.8
69.07056	8.9
69.76345	1.0
69.76772	0.8
70.06563	0.6
71.04985	1.2
71.08638	1.7
72.08127	0.5
73.02891	0.9
74.81840	0.2
79.05478	2.6
80.05002	0.5
81.03417	2.6
81.05779	2.0
81.07042	8.6
82.06574	2.4
83.04963	2.2
83.08604	6.1
85.02891	18.6
85.06529	0.5
85.10159	0.8
86.84760	0.2
87.04471	1.2
91.03910	0.5
91.05469	0.6
93.07025	4.7
94.06547	1.2
95.04964	0.4
95.08591	6.6
96.08112	4.1
97.02877	6.0
97.06503	1.4
97.10159	3.6
99.04414	1.2
99.08068	0.4
100.07594	0.9
100.11233	0.2
103.03912	0.2
105.07017	0.8
105.24422	0.2
107.08572	4.4
109.02863	2.4
109.10140	4.0
111.08050	1.4
111.11702	1.6
112.07578	2.7
113.09618	0.3
114.09147	88.5
114.12779	7.9
115.03928	0.4
115.09483	1.0
117.18015	0.2
119.08541	0.4
121.10120	3.2
123.11697	2.3
125.09589	0.5
125.13279	0.6
127.03891	3.3
128.07060	2.9
130.08627	0.4
131.60277	0.2
133.08870	0.7
133.10077	0.3
134.05998	0.3
135.11678	2.6
137.13254	1.2
139.11212	0.5
140.07065	0.5
142.08575	0.7
143.14200	0.2
145.04921	0.9
148.11182	10.9
149.11507	0.4
149.13228	2.7
151.14787	0.3
153.12744	0.4
158.08101	12.8
160.09660	100.0
161.09981	1.4
163.14787	1.5
177.16554	0.4
179.17903	0.3
191.17941	0.4
219.21053	0.8
227.21153	0.4
237.22154	0.6
255.20639	0.7
256.20532	0.2
261.19626	0.6
275.27289	0.7
289.19016	1.1
293.28333	7.6
294.28815	0.4
309.12231	0.3
311.29480	0.6
344.19830	0.5
369.14468	0.3
378.18042	0.4
452.37442	0.3
470.38348	30.7
471.38858	1.7
480.21835	0.3
632.43591	62.7
633.44019	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	632.3797
Annotation	Hemsine B
Peak:m/z	Relative Intensity
55.05492	0.5
55.17305	0.1
56.05023	0.4
57.05802	0.7
57.07064	0.1
58.06590	4.2
59.83149	0.1
60.08148	1.2
65.47581	0.1
67.05489	0.4
68.05007	0.3
69.03423	0.3
69.05805	0.1
69.07050	0.8
70.06577	1.7
70.84511	0.2
70.84882	0.2
71.04989	0.2
71.07331	0.5
72.08140	8.0
76.52242	0.1
79.05479	0.3
81.03431	0.1
81.07043	0.6
83.04961	0.1
83.08609	0.1
84.08126	0.4
85.02891	0.6
85.08904	0.4
86.09233	0.1
86.09700	0.6
91.05463	0.4
93.07037	0.3
94.06547	0.1
95.04978	0.2
95.08601	0.3
96.08064	0.1
97.02876	0.2
98.06009	0.3
103.05444	0.3
105.07027	0.8
106.06458	0.1
107.08574	0.3
109.02879	0.2
109.10128	0.3
114.09180	1.9
114.12783	100.0
115.05400	0.1
115.12423	0.2
115.13129	1.3
117.06995	0.2
119.08543	0.3
120.08084	4.4
121.10131	0.3
122.05962	0.1
123.27883	0.1
127.03897	0.2
130.06451	0.1
131.04906	1.0
132.07996	0.1
133.08842	1.8
133.09909	0.1
134.05025	0.2
134.05986	2.7
135.06749	0.4
135.08049	0.1
135.11673	0.1
135.41692	0.1
136.07619	0.1
140.07063	0.2
141.06999	0.1
143.08560	0.1
145.10089	0.2
146.05952	0.2
147.04338	0.1
148.11180	22.7
149.09586	0.1
149.11514	0.6
160.09695	1.7
160.11066	0.2
163.03856	0.4
163.11195	0.1
164.78572	0.1
166.08469	0.1
173.13084	0.1
174.09123	1.1
177.05524	0.1
186.09102	0.8
202.12245	0.2
203.11774	1.2
227.21136	5.7
228.21451	0.2
239.11754	0.1
251.11723	0.2
255.20627	10.9
256.20886	0.4
261.19571	2.8
262.19891	0.1
263.11823	0.2
265.13315	0.4
279.11172	0.5
280.11560	0.1
284.11255	0.1
289.19080	2.7
291.11026	0.1
297.12131	0.2
309.12326	0.3
311.13712	0.4
313.11548	0.1
316.20166	0.3
337.11575	0.4
338.12039	0.2
339.13358	0.9
344.19653	1.0
350.14926	0.2
350.18652	1.6
369.14255	0.5
370.14774	0.2
371.15918	1.5
378.18063	8.2
379.18451	0.3
387.32663	0.1
399.15646	0.2
400.15918	0.2
401.16525	0.1
437.18423	0.1
451.75214	0.1
452.37369	0.7
459.17328	0.1
460.18436	0.5
470.38351	0.8
477.18481	0.3
478.19360	0.2
480.20755	0.3
492.21155	0.3
509.20578	0.3
510.22119	0.2
557.04077	0.1
583.24963	0.1
600.25250	0.8
601.26074	0.4
632.37567	4.5
633.28625	0.1
633.38470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29650	0.1
56.89279	0.1
58.68205	0.1
60.35760	0.1
67.05492	0.2
68.05016	0.2
69.03428	0.2
69.07068	0.4
69.60219	0.2
69.60632	0.7
69.99303	0.1
70.06581	1.0
79.05499	0.3
81.07030	0.5
85.02904	0.3
86.09692	1.7
86.10187	0.1
91.05453	1.0
93.07046	0.1
94.06569	0.2
95.04948	0.2
95.08614	0.3
96.08119	0.1
97.02884	0.1
98.21459	0.2
99.04388	0.1
103.05401	0.1
104.06255	0.2
105.07011	2.3
106.06567	0.1
107.08549	0.2
109.10144	0.3
114.09134	1.0
117.06992	0.2
118.06528	0.1
119.08543	0.1
121.10125	0.1
122.06019	0.3
123.11726	0.1
127.03916	0.1
131.04863	0.1
132.08066	0.7
133.08850	6.7
134.05972	1.5
135.04340	0.1
135.06750	0.4
135.11740	0.1
136.07541	0.3
140.07019	0.4
144.07985	0.1
145.10052	0.1
146.06001	0.3
146.09612	0.2
147.10466	0.2
148.11179	100.0
149.11525	1.4
152.07120	0.1
160.09677	1.5
163.03854	0.4
164.07004	0.4
166.08554	0.2
174.05420	0.1
174.09157	0.6
176.07053	0.4
181.35117	0.1
186.09061	0.3
190.04918	0.1
203.11797	0.8
204.06506	0.2
221.71002	0.1
235.12277	0.1
237.10127	0.2
238.10956	0.2
239.11699	0.3
251.11755	0.3
261.19592	5.1
262.19916	0.2
263.11661	0.3
265.09500	0.2
265.13455	0.5
277.09515	0.1
277.13104	0.1
279.11261	2.0
280.11832	0.2
281.12866	0.1
287.13840	0.2
289.19052	9.6
290.19363	0.2
291.11197	0.1
296.11301	0.1
297.12238	1.6
298.12897	0.2
309.12244	1.0
310.13104	0.5
311.13617	0.1
313.11856	0.2
316.20123	1.4
321.12140	0.3
331.12634	0.1
337.11722	1.6
338.12573	0.4
339.13324	1.8
344.19641	4.0
345.14099	0.2
369.14185	0.3
370.14835	0.2
371.15891	0.9
392.19199	0.1
434.19785	0.1
442.17331	0.1
460.18610	1.7
470.38263	0.4
478.19785	1.2
480.20837	0.2
492.20889	0.2
496.20200	0.1
510.22446	0.6
571.99365	0.1
600.24487	0.1
601.26428	1.8
632.37189	3.5
633.27826	0.3
633.37793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
57.03416	0.6
59.04969	0.6
67.05480	2.9
69.03402	1.3
69.07063	4.9
69.45487	6.2
70.06589	1.2
71.05013	0.7
72.08170	0.7
74.20438	0.6
79.05486	1.6
81.03410	1.3
81.07052	4.0
83.04946	1.1
83.08598	1.0
85.02892	2.7
85.06537	1.6
86.09700	1.1
91.05483	1.8
93.07057	2.8
94.06561	4.4
95.04967	2.1
95.08585	4.4
97.02873	1.3
97.06512	2.3
104.10739	2.1
105.07012	2.0
107.04974	0.8
107.08572	2.7
108.08128	1.4
109.02870	1.1
109.06497	1.2
109.10139	2.4
110.06060	1.0
114.09160	1.3
114.12813	2.0
117.03396	1.4
117.07027	1.0
118.06525	0.9
119.04930	0.9
119.08562	2.2
120.08099	1.1
121.06482	1.0
121.10101	2.9
122.06014	12.7
123.08056	1.0
123.11662	1.2
124.07619	0.7
124.99989	0.7
125.05952	1.0
125.09569	0.6
127.03851	0.9
131.08578	1.6
133.10135	1.9
134.05986	1.1
135.08006	1.0
135.11691	1.4
136.06134	0.7
136.07593	0.9
137.05917	0.8
139.07535	0.7
140.07039	16.9
143.08514	1.2
144.04451	1.9
145.02858	3.7
145.10144	1.4
146.05981	9.6
147.04446	1.9
147.11664	1.6
148.07555	2.4
148.11157	3.0
149.06012	0.7
149.09680	0.7
149.13309	0.7
157.10081	1.1
159.08061	0.7
161.13284	0.8
162.05516	1.9
163.03925	1.4
167.07094	1.4
171.11705	0.8
172.03915	17.7
172.05327	1.1
172.07558	0.6
173.13289	1.0
174.05472	6.2
175.14764	1.0
176.07040	5.0
177.05452	7.5
182.99323	0.6
183.11653	0.7
185.13306	0.7
186.09122	0.7
187.14934	0.7
189.16409	1.0
190.04959	3.3
192.06516	0.8
197.10799	0.6
199.08763	0.6
199.12398	0.9
204.06531	32.1
206.08107	12.4
206.09988	0.9
211.08659	1.8
212.09245	0.8
212.59990	0.6
223.08607	0.9
223.12149	0.9
224.09407	1.2
225.10242	4.0
226.11067	1.0
227.08273	0.8
227.11751	10.1
227.13805	0.8
237.10242	1.3
238.11028	1.3
239.11736	3.4
241.09790	1.3
243.11386	0.6
249.10223	1.0
251.11784	2.7
252.12726	0.7
253.09718	2.5
259.09732	0.8
261.12286	0.8
263.08182	0.7
263.11752	1.5
265.09671	1.6
267.11331	1.5
269.12830	5.1
271.10779	2.8
277.09827	1.2
279.11240	1.8
283.10724	7.0
284.11505	4.4
285.12350	3.6
286.13162	0.9
287.13870	19.6
295.10837	1.2
297.12381	2.3
300.12244	1.3
301.12128	1.7
313.11734	6.3
314.12894	1.6
315.13742	2.0
316.14331	4.2
317.15192	1.0
319.10690	0.6
323.10449	1.6
326.16782	0.7
327.17447	1.1
328.10956	0.8
328.14392	2.3
329.11646	1.5
329.15289	1.7
330.12253	1.7
330.16049	5.3
331.12921	4.7
331.16812	4.9
332.17538	0.9
342.12427	4.6
342.15842	0.8
343.12863	2.8
344.13815	1.3
344.17599	4.3
345.14410	21.8
345.18600	1.1
346.15237	0.8
354.16156	0.7
355.13428	1.2
356.13849	5.2
356.17740	0.7
357.14874	2.5
358.15396	6.2
363.15643	2.3
367.13507	0.9
368.13757	1.1
369.14926	0.9
370.11694	1.5
370.15588	3.4
371.16513	1.2
372.17123	4.0
374.18512	0.7
380.14047	1.6
382.11404	1.1
382.15762	1.2
383.12607	2.1
384.13196	8.6
385.14041	2.8
386.14374	3.3
386.18750	2.3
388.16562	1.3
390.18134	4.9
391.18817	0.8
394.15778	1.0
397.15363	0.8
398.14856	11.0
399.15784	19.4
400.16507	25.3
400.21762	1.3
402.14206	2.7
412.16306	2.8
414.17865	4.3
415.18979	1.0
415.32108	1.8
416.16013	3.5
417.16824	5.2
418.17493	6.5
430.17673	3.0
431.18256	1.9
433.33127	2.0
440.15991	5.0
441.16541	1.0
442.17746	0.9
444.15515	1.6
451.32559	0.9
452.79163	0.7
458.17056	29.4
459.17688	9.7
460.18555	2.9
476.18295	0.8
490.19644	16.3
491.20746	3.0
508.20706	1.5
555.26031	1.3
557.23962	1.8
581.23846	4.1
581.32507	0.8
599.24915	100.0
600.25250	4.9
631.27344	14.3
631.38898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88238	0.5
53.03924	0.7
55.05492	1.4
56.69549	0.5
61.02898	0.6
63.69284	0.6
65.03934	1.0
67.05482	1.8
68.04996	0.7
69.03397	1.6
69.07065	5.3
70.06590	1.5
70.38602	2.4
71.04964	1.2
72.08127	1.2
75.40224	0.5
79.05472	2.6
80.04999	0.8
81.03384	1.0
81.07052	3.1
83.04951	0.7
83.08602	0.9
84.08107	1.5
85.02879	2.2
85.06540	0.7
86.09708	3.2
87.04456	1.0
91.03944	0.7
91.05450	2.2
93.07017	2.6
94.06094	0.6
94.06564	5.2
95.04966	1.9
95.08572	2.2
97.02863	1.2
97.06510	1.9
97.46683	0.5
99.04418	0.7
103.05471	0.7
105.06984	1.6
106.06532	0.9
107.04909	0.6
107.08578	2.5
108.08104	1.9
109.02850	1.3
109.06529	0.9
109.10137	1.5
110.06048	1.1
111.08017	0.6
112.07545	0.8
114.09159	1.2
116.04912	1.5
118.06509	0.8
119.08551	2.1
120.04431	1.1
120.08105	5.5
121.06486	1.1
121.10134	1.4
122.06011	17.7
123.04430	0.9
123.08041	0.8
124.07584	0.9
125.09620	0.7
127.03897	1.3
129.06976	0.8
130.08643	0.7
131.04869	0.8
131.08501	0.6
133.10110	2.5
134.05986	1.6
135.07980	0.8
136.06160	1.5
136.07556	1.4
137.05925	1.6
138.05466	4.9
140.07039	26.7
144.04469	3.3
145.02837	1.2
145.05167	0.7
145.06393	0.7
145.10130	1.3
146.05984	13.7
147.04413	3.3
147.06779	0.9
147.11684	1.2
148.07568	2.7
149.05956	0.7
152.07071	1.1
152.65480	0.7
159.11740	0.9
160.07527	1.3
161.05826	0.8
162.05493	2.5
162.09145	0.7
163.03908	3.6
163.06256	1.0
164.06987	0.8
166.08722	0.7
167.07021	4.1
168.07367	1.1
172.02429	1.2
172.03908	23.2
172.07504	0.8
173.13159	0.8
174.05479	9.8
176.07040	7.3
177.05450	2.3
178.08588	1.8
184.09772	0.8
186.09094	1.0
188.07080	1.3
190.04924	4.2
191.05605	0.9
192.06474	1.1
197.10718	1.4
199.08636	0.9
199.12213	1.3
204.06528	42.2
205.06982	0.9
206.08092	16.8
207.06461	1.5
208.09846	0.7
209.10770	1.1
210.09256	1.1
210.11438	1.2
211.08638	1.6
211.12320	1.2
212.09402	1.9
213.10184	1.1
221.10707	0.7
223.08691	0.7
224.09343	1.3
225.10199	6.7
226.08650	1.0
226.10936	1.0
227.11751	10.9
230.07747	0.8
236.09392	0.7
237.10303	2.8
238.10912	1.6
239.11755	4.5
241.09671	1.5
241.13364	0.8
249.10172	2.1
251.07907	0.9
251.11801	3.8
253.09669	1.8
255.11270	1.3
259.03189	0.7
259.09668	1.1
261.12402	2.2
263.08041	1.2
263.11823	2.2
264.08740	0.8
265.09677	3.3
265.13278	1.3
267.11282	0.9
269.09866	0.7
269.12817	7.1
271.10632	4.3
277.09689	1.6
278.10437	0.9
279.11139	1.6
281.09317	0.7
283.10715	9.9
284.11478	5.8
285.12112	3.3
287.13840	24.9
291.11237	1.7
295.10739	2.6
297.12335	3.6
300.11935	1.3
301.12131	3.6
302.12939	1.0
303.04727	0.8
303.13422	0.8
309.12543	2.9
310.13199	1.0
312.14832	1.4
313.11792	11.2
314.12961	1.8
315.13641	2.4
316.14368	5.1
317.15051	1.2
323.09982	1.9
323.13751	1.0
324.11026	0.6
326.16580	1.1
327.13965	0.8
327.17505	0.7
328.14401	2.3
329.11569	2.5
329.15201	2.5
330.12256	3.1
330.15997	5.5
331.12842	6.2
331.16727	7.8
332.17249	1.0
336.11084	0.8
337.11884	0.8
340.14502	0.8
341.12790	1.4
342.12250	6.0
342.16003	0.9
343.13025	3.7
344.13815	1.6
344.17548	4.5
345.14383	21.8
352.14505	0.7
354.12262	1.0
354.16138	1.5
355.13467	1.4
356.13797	5.5
357.14725	2.6
358.15408	9.1
359.16101	0.7
363.15430	2.5
367.13202	0.7
369.14520	2.4
370.11594	2.1
370.15741	3.4
371.16461	1.3
372.13217	0.6
372.17212	4.3
374.18515	1.3
380.13580	1.3
382.11710	2.4
382.15854	1.2
383.12616	2.2
384.13300	10.2
384.17896	0.9
385.14084	3.6
386.14490	3.9
386.18707	2.1
388.16318	1.9
389.16910	0.8
390.18088	5.3
394.15457	1.0
396.17191	0.8
397.14847	0.7
398.14969	13.9
399.15732	21.6
400.16476	30.2
401.16821	0.9
402.14310	2.2
403.18997	1.0
412.16525	1.9
414.18134	5.0
415.18628	2.6
416.16071	2.0
417.16891	6.2
418.17511	9.7
422.14923	1.0
430.17398	3.0
431.18295	2.4
433.33331	0.8
440.16125	4.1
441.16696	1.4
442.17331	1.3
444.15363	2.6
458.17075	32.0
459.17850	14.1
460.18756	5.3
476.18185	1.3
490.19608	9.0
491.20242	4.1
492.21100	0.8
494.22766	2.3
508.20496	1.4
510.22314	1.0
555.25061	1.5
557.23938	4.3
581.23944	5.9
599.24908	100.0
600.24866	3.4
631.27313	26.5
631.35553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60541	0.3
57.60582	0.3
64.38726	0.3
65.03934	0.4
67.03340	0.3
67.05487	1.3
68.04985	0.4
69.03422	0.8
69.07057	3.6
79.05482	0.5
80.04992	0.4
80.54364	0.3
81.03429	0.4
81.07040	0.7
91.05476	0.6
92.05014	0.4
93.07021	0.9
94.06554	5.2
95.04967	1.2
105.07010	0.4
106.06570	0.4
107.08546	0.4
108.08083	0.9
109.10121	0.4
110.06011	0.7
112.07590	1.3
116.04958	0.8
118.06541	0.6
119.08595	0.4
120.04460	0.5
121.05238	0.8
121.10123	0.4
122.06007	18.0
123.04417	0.8
124.07542	0.7
134.05971	1.7
136.06183	0.5
136.07559	0.4
140.07040	29.9
144.04417	2.2
144.08191	0.4
146.05983	11.1
147.04355	0.6
147.06737	0.5
148.07561	2.0
152.07060	0.9
155.12575	0.4
162.05482	2.3
163.03949	0.4
163.06319	0.5
172.03917	15.2
172.07573	0.8
173.04680	1.5
173.13441	0.4
174.03996	0.9
174.05481	13.1
175.06073	0.5
175.08975	0.4
176.07033	4.9
177.05368	0.4
178.08650	0.4
182.09673	0.9
184.07405	0.4
186.09160	0.8
189.57892	0.4
190.04921	3.3
191.05701	2.0
192.06522	1.4
195.09160	0.3
197.10748	1.0
198.09187	0.5
199.08662	0.4
199.12289	1.6
204.06532	31.5
205.06926	0.6
206.08098	10.4
206.09966	0.6
209.10760	0.8
210.09225	0.8
211.08652	1.4
212.09383	1.2
213.10162	0.6
216.10101	0.5
221.13684	0.4
222.38707	0.3
223.08647	0.9
224.09311	0.6
225.10213	4.5
226.10936	1.0
227.08382	0.5
227.11742	11.8
228.12233	0.4
235.08749	0.4
237.10170	1.8
238.10974	1.0
239.11771	3.7
240.12491	0.5
241.09692	1.3
241.13339	1.0
242.11728	0.7
243.11435	0.4
249.10178	0.5
251.08040	0.4
251.11874	1.6
253.09705	1.9
253.13368	0.8
255.07556	0.6
255.11272	0.8
261.12289	1.7
263.11786	0.5
264.09006	0.4
265.09680	2.2
266.10477	0.7
267.11298	1.5
269.12827	9.2
270.13297	0.6
271.10657	3.6
277.09879	1.3
278.10480	0.4
279.11261	1.4
283.10718	8.2
284.11472	4.7
285.12286	4.1
286.13037	0.5
287.13855	27.9
288.14337	0.6
295.10806	1.6
297.12381	2.5
299.11768	0.5
300.12112	0.8
301.12039	2.2
302.12854	1.1
310.09674	0.5
312.15115	0.8
313.11761	27.9
314.12564	2.1
315.13843	1.7
316.14471	4.8
317.15088	0.8
323.10199	1.7
324.10901	0.5
326.16702	1.0
327.13913	0.6
328.10999	0.8
328.14560	1.6
329.11548	2.5
329.15320	1.9
330.12256	2.0
330.16019	4.4
331.12894	9.7
331.16794	5.3
332.17496	1.3
337.11908	0.6
340.14700	0.4
341.12393	1.0
342.12369	3.8
343.13034	2.6
344.13739	1.2
344.17590	4.8
345.14410	21.4
346.14795	0.6
354.12198	0.5
354.16058	0.8
355.13739	1.3
356.13867	4.2
356.17627	0.7
357.15005	2.4
358.15424	6.8
363.15472	1.3
365.11319	0.7
369.11093	0.8
370.11789	1.6
370.15729	2.6
371.12543	0.7
371.16751	0.8
372.17227	3.3
374.18765	0.7
380.13837	0.8
382.11374	2.1
382.15741	1.1
383.12863	1.6
384.13272	9.3
385.14041	3.5
386.14392	3.8
386.19540	1.9
388.16736	1.7
390.17990	4.5
391.18903	0.4
397.15076	0.7
398.14883	11.7
398.19678	0.8
399.15732	19.4
400.16504	27.4
401.16931	1.3
402.14120	1.7
403.19028	0.8
412.16486	1.4
413.17136	0.7
414.18170	5.4
415.19214	1.8
416.15729	2.0
417.16809	6.2
418.17529	7.1
422.14923	0.6
430.17770	2.3
431.18423	1.6
440.16043	3.6
441.16742	1.4
444.15414	2.2
458.17035	23.6
459.17712	10.4
460.18503	3.0
490.19568	4.6
491.20364	2.0
492.21164	0.4
512.24670	0.4
555.25867	1.3
557.24011	2.9
581.24042	5.2
599.24908	100.0
600.25250	5.7
631.27356	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	631.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05495	0.4
63.64752	0.3
65.03928	0.5
66.04730	0.3
67.05496	1.8
68.05021	0.7
69.07055	4.5
71.04990	0.3
71.48516	0.8
79.05474	1.1
81.07043	1.1
85.02888	0.6
91.05470	0.9
93.05758	0.5
93.07010	0.4
94.06554	6.2
95.04962	1.6
95.08615	0.5
97.06477	0.7
107.04985	0.4
107.08572	0.6
108.08111	1.6
109.90055	0.3
110.06054	0.9
111.49711	0.3
112.07591	1.3
114.09151	0.7
116.04951	0.9
118.06515	1.1
119.08551	0.4
120.04460	0.4
120.08096	1.2
121.10184	0.6
122.06011	21.5
123.04422	0.7
124.07566	6.5
128.06119	0.4
132.04454	0.5
133.10077	0.5
134.06004	1.7
135.04449	0.6
136.07565	1.3
137.05995	0.4
138.05513	0.7
140.07045	32.9
144.04445	2.8
145.05278	0.3
146.05984	13.7
147.04379	0.4
147.06766	0.8
148.07550	2.4
152.07060	1.4
157.10187	0.5
160.07632	0.8
160.09691	0.6
162.05492	2.2
163.03902	1.0
163.06277	1.0
167.07175	0.5
172.03903	17.9
172.07558	0.9
173.04684	2.0
174.05487	15.9
175.06140	0.6
176.07039	7.4
178.08650	0.5
182.09737	1.0
183.09012	0.4
184.09937	0.7
186.09181	0.8
188.06992	0.6
190.04962	3.6
191.05714	2.4
192.06526	1.8
196.09901	0.6
197.07156	0.5
197.10757	1.3
198.09196	0.5
199.08644	0.8
199.12335	1.6
200.09314	0.5
204.06537	33.7
206.08098	12.4
206.09955	0.8
209.10757	0.7
210.09323	0.8
210.11292	0.5
211.08513	1.9
211.12299	0.7
212.09319	1.7
213.10242	1.1
216.10187	0.4
221.10739	0.5
223.08580	1.1
223.12338	0.7
224.09402	1.2
225.10223	5.7
226.08618	0.5
227.08282	0.6
227.11754	12.9
235.08684	0.9
236.09494	0.4
237.10155	2.8
238.10861	1.7
239.08118	0.6
239.11716	3.6
241.09625	2.2
241.13370	1.4
243.11269	2.4
244.09741	0.5
249.10121	2.2
250.10980	0.7
251.08319	0.9
251.11757	2.9
253.09708	3.0
254.10272	0.6
255.07745	0.5
255.11328	1.0
256.12122	0.4
261.12357	1.9
263.08176	1.6
263.11594	1.7
264.08896	1.2
265.09619	2.6
266.10452	0.9
267.11285	3.1
269.09579	1.0
269.12781	11.4
271.10733	5.0
277.09772	1.7
278.10614	0.7
279.11081	3.0
281.09155	1.0
281.12650	0.6
283.10724	10.3
284.11472	6.2
285.12308	7.3
286.13062	0.5
287.13852	27.3
288.14627	0.5
291.11407	1.1
292.12198	0.4
293.12817	0.7
295.10822	1.6
296.11658	0.8
297.12274	6.8
298.13278	0.7
299.11096	0.5
299.14554	0.5
300.11871	1.6
301.12027	4.0
301.15479	0.7
302.12909	1.7
302.16196	0.4
303.13434	6.8
307.10788	0.5
309.12396	1.3
311.14279	0.6
312.11780	0.5
312.14999	1.1
313.11761	32.4
314.12854	2.6
314.16400	0.7
315.13608	3.4
316.14410	5.0
317.15341	1.1
318.16025	0.9
321.12216	0.6
323.10229	1.7
323.13965	0.7
324.11200	0.7
324.15030	0.5
325.12399	0.5
326.16507	1.1
327.13889	1.1
327.17502	0.9
328.10956	1.0
328.14545	2.7
329.11551	3.9
329.15283	3.5
330.12338	2.3
330.16028	5.7
331.12891	10.8
331.16794	6.7
332.17651	0.9
336.11127	0.9
337.11835	0.9
338.13068	0.8
339.13733	1.5
340.11124	0.5
340.14594	1.2
341.12396	1.2
342.12427	5.5
342.16086	1.4
343.13004	3.2
344.13837	1.8
344.17618	4.8
345.14429	17.5
346.15265	1.1
346.19312	0.8
347.16229	0.9
352.14279	0.5
354.12387	0.9
354.16107	1.5
355.13330	2.0
356.13901	4.3
356.17746	0.6
357.14853	3.2
358.15460	8.0
359.16153	0.5
360.17239	0.7
363.15530	1.3
365.11246	0.9
367.13214	1.5
368.13623	1.2
368.17657	0.8
369.10938	0.5
369.15012	0.5
370.11655	1.1
370.15497	3.9
371.13049	1.5
371.17035	0.8
372.13379	0.8
372.17264	3.7
373.14673	0.5
374.14771	0.7
374.18826	0.7
375.15796	0.5
380.14008	1.3
382.11395	2.7
382.15640	1.6
383.12695	2.3
384.13293	10.6
384.17154	0.9
385.14084	3.2
386.14590	5.6
386.19611	2.2
387.16141	1.3
388.16577	2.2
390.18109	4.3
391.18735	0.5
392.19501	0.5
394.15439	0.7
396.17352	0.7
397.14587	1.0
398.14957	13.3
399.15771	21.0
400.16525	29.5
401.17633	0.9
402.14502	1.4
402.18683	0.8
403.18845	1.2
404.15955	0.7
406.17700	0.9
412.16360	1.8
414.18420	5.0
415.14471	2.3
416.15958	5.7
417.16800	6.6
418.17532	8.9
430.17606	2.9
431.18387	2.1
434.16882	0.6
440.16058	4.1
441.16772	1.3
442.16995	0.6
444.15671	1.9
446.17130	1.0
458.17062	32.3
459.17813	15.7
459.24252	0.9
460.18594	4.2
474.16653	2.9
475.16956	1.8
476.18268	1.2
490.19626	7.5
491.20425	2.7
506.19312	0.6
508.20908	1.2
555.25964	1.5
557.23676	3.5
581.23779	7.9
582.23444	0.6
599.24933	100.0
600.25238	3.3
614.25415	0.9
631.27100	3.1
643.89166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14112	0.6
57.03429	0.6
62.55291	0.6
65.03925	0.7
65.91512	0.5
66.69533	0.6
67.05494	1.2
69.03430	1.5
69.07053	4.5
71.04971	0.8
71.08727	1.7
79.05466	1.3
81.03398	1.2
81.07043	1.8
82.06581	0.7
83.04945	0.9
85.02901	1.7
86.09691	0.8
89.03877	0.6
91.05455	1.5
93.07021	1.2
94.06554	6.6
95.04954	2.4
95.08624	1.2
97.06548	0.6
105.06996	1.3
107.08598	0.8
108.08107	1.7
109.02841	0.7
109.10147	1.0
110.06020	1.4
112.07586	1.8
114.09205	0.7
115.07510	0.6
116.04978	0.7
118.06528	1.0
119.08581	1.5
120.08051	1.1
121.06512	0.8
121.10123	0.7
122.06012	20.5
123.04440	1.2
124.04018	0.7
125.73231	0.6
127.03990	0.9
131.04922	0.6
134.05998	1.3
135.04422	0.8
136.07559	1.5
137.05983	1.4
138.05510	1.8
140.07036	35.1
144.04440	1.9
145.02789	0.6
145.10075	0.6
146.05983	10.5
147.04388	1.2
147.06805	0.9
147.07973	0.6
147.11549	0.6
148.07568	1.8
152.07066	1.0
156.07950	0.6
162.05446	1.6
163.03880	3.5
164.07059	0.7
167.07047	1.0
172.03915	15.5
172.05338	1.1
173.04692	1.3
174.05473	16.3
176.07039	7.1
177.05495	1.7
181.04926	0.7
182.09631	0.7
184.09879	0.7
186.09167	0.9
190.04956	3.1
191.05798	2.4
192.06526	2.2
196.09921	0.7
199.08775	0.6
199.12317	1.5
204.06535	31.3
206.08076	11.1
206.09702	1.0
207.06438	0.9
210.09279	0.8
210.11499	0.8
211.08646	2.3
211.12236	0.6
212.09404	1.4
216.10231	0.7
223.08784	0.7
224.09323	1.5
225.10173	5.1
225.13846	0.7
226.11012	0.7
227.11732	11.5
231.11415	0.6
233.10251	0.6
237.10141	3.1
238.11017	2.0
239.11858	3.0
241.09685	1.5
241.13361	0.9
249.09984	1.5
251.11769	3.6
253.09731	2.0
253.13388	1.2
255.07614	0.7
255.11232	0.8
257.12735	1.0
261.12326	2.0
262.10950	0.7
263.08359	1.6
263.11771	1.9
265.09680	3.3
267.11124	1.4
269.09436	0.9
269.12808	10.0
271.10757	3.6
277.09714	1.8
279.11301	2.2
283.10779	8.9
284.11459	6.2
285.12189	6.3
287.13852	28.4
291.11182	1.0
295.10678	1.5
296.11646	0.8
297.12195	2.9
299.11285	0.7
300.12045	1.2
300.15317	0.8
301.12057	2.5
301.15216	0.8
309.12219	1.0
310.13162	0.9
311.14346	0.7
312.14832	0.7
313.11743	31.5
314.12921	2.0
315.13754	2.6
316.14377	5.0
323.10248	1.8
323.13928	1.3
324.11212	0.6
326.16855	1.0
327.14178	1.5
328.11050	1.0
328.14575	2.5
329.11594	2.9
329.15314	2.1
330.12308	3.0
330.16049	5.2
331.12897	12.3
331.16779	5.9
332.17322	1.2
336.10831	1.2
337.11978	1.3
338.13040	1.0
339.13821	0.7
341.12085	0.9
342.12299	5.3
342.15878	1.0
343.13159	3.7
344.13831	1.5
344.17609	4.9
345.14395	17.4
346.19125	1.0
355.14001	1.8
356.13876	3.8
357.15030	2.4
358.15448	7.3
358.19373	0.8
363.15836	1.2
367.13477	1.4
368.13715	0.9
369.14932	1.1
370.11716	1.7
370.15704	4.2
371.16821	1.1
372.17133	4.8
380.13882	1.3
382.11960	2.0
383.12939	2.7
384.13272	9.9
385.14230	3.6
386.14481	3.9
386.18716	2.0
388.16547	1.4
390.18121	4.6
392.19321	0.8
394.15894	1.0
396.17438	0.8
397.14749	1.2
398.14899	14.9
398.19720	0.9
399.15747	21.1
400.16495	29.2
401.16864	1.1
402.14597	1.7
403.19083	1.4
412.16528	2.3
414.18201	5.4
415.18796	1.7
416.15939	2.3
417.16672	7.1
418.17596	8.5
430.17603	2.5
431.18265	1.8
440.15945	4.5
441.16611	0.9
444.15582	1.8
458.17029	31.9
459.17755	15.7
460.18747	4.2
474.17877	0.9
490.19653	7.7
491.20294	3.1
508.20413	1.2
555.25989	1.6
557.23932	4.2
581.24109	6.5
599.24902	100.0
600.25226	4.0
631.27264	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	630.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01857	4.0
55.05502	24.0
57.03426	7.4
57.07053	3.2
59.05004	1.8
65.03922	3.0
65.11810	1.0
67.05497	76.8
68.05811	1.4
69.03418	3.1
69.07057	17.3
70.10817	4.1
71.04984	41.5
71.08621	20.5
72.05339	1.3
79.05019	1.3
79.05486	35.1
81.03410	10.0
81.07045	100.0
82.07365	2.6
83.04969	11.1
83.08610	18.3
85.06538	8.5
88.75184	0.9
91.05471	44.4
92.05811	1.5
93.07033	46.6
94.07345	1.5
95.04971	11.3
95.08591	26.5
96.08950	1.4
97.06527	11.5
97.10161	15.5
99.08081	13.6
105.07021	27.6
107.04935	3.0
107.08585	29.9
109.06499	4.2
109.10140	15.2
111.08064	6.2
117.07002	10.7
119.08585	14.6
121.10120	12.9
123.08030	3.8
123.11700	12.1
125.09609	14.4
129.06982	2.7
131.08545	12.8
133.10110	22.4
134.10443	1.7
135.08012	3.0
135.11681	9.4
137.09608	2.2
137.13234	1.6
139.11162	2.1
143.08533	3.3
145.10085	4.0
147.11673	8.0
149.09595	2.4
149.13226	10.6
151.11157	14.4
153.09093	1.8
155.08508	1.3
157.10112	3.1
159.11674	10.7
161.09549	1.4
161.13243	6.4
163.11160	5.8
165.12787	2.1
169.10069	1.7
169.12196	1.8
171.11638	2.8
173.11734	2.5
173.13191	2.3
175.14801	1.8
177.12712	5.8
179.14261	6.5
180.14612	1.5
181.10062	1.5
183.13809	6.7
185.13246	2.0
187.13286	2.8
189.11230	6.5
193.12318	1.5
195.13818	6.0
197.13129	1.3
199.14792	1.6
201.14894	1.3
221.15428	2.5
225.14932	2.2
227.12747	37.5
230.89113	1.4
243.15897	2.1
257.17322	1.9
259.20547	3.0
267.15805	3.0
268.16260	1.8
269.17432	9.4
277.21552	15.5
278.22144	1.5
278.96057	1.2
295.22751	1.5
301.20050	20.0
329.24710	2.5
347.26379	1.3
351.25262	23.4
352.25632	1.9
355.24786	2.6
399.27319	3.3
403.28528	5.2
419.27951	1.5
421.29376	2.0
427.26895	15.3
428.27264	1.8
435.31647	1.8
437.28882	9.5
439.26572	1.6
451.30469	12.4
463.30457	9.9
471.29166	2.0
479.33560	3.2
491.36557	1.8
495.33148	47.0
496.33160	3.8
501.35651	3.4
509.35815	1.5
512.35638	3.2
515.20581	1.2
519.36755	48.8
520.37097	3.4
527.37152	3.1
533.38654	6.0
545.38086	22.5
551.39191	2.1
577.40790	13.3
612.45197	1.5
630.46191	3.6
631.38153	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	630.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39653	2.0
53.03932	6.0
55.01863	6.7
55.05500	35.8
57.03429	15.1
57.07064	7.2
65.03934	4.1
67.05496	93.4
67.91850	2.0
69.03385	2.2
69.07063	24.7
71.04977	21.0
71.08614	8.5
71.31062	4.4
71.31434	4.5
72.40193	2.1
79.05479	60.4
81.03405	40.6
81.07042	100.0
83.04965	9.6
83.08600	28.3
85.06536	9.2
91.05461	59.1
93.07028	66.3
94.07365	2.7
95.04954	27.0
95.08592	65.2
97.06531	8.2
97.10149	20.7
99.08080	8.8
105.07011	46.7
107.04954	6.4
107.08579	44.3
108.08849	2.4
109.06513	8.3
109.10136	30.7
111.08052	9.1
113.09609	3.6
114.86600	2.3
117.06999	18.7
119.08563	34.7
121.06486	6.2
121.10122	27.6
123.08072	7.2
123.11652	11.2
125.09623	20.6
129.07001	15.5
131.08539	36.9
133.06564	2.5
133.10118	23.2
135.08049	5.7
135.11658	15.6
137.09616	7.5
137.13283	4.1
139.11235	2.5
141.06995	3.9
142.07793	3.8
143.08527	12.5
144.09190	2.4
145.10112	27.4
147.08076	3.2
147.11671	16.0
149.09593	5.7
149.13234	11.5
151.11191	6.4
151.14792	2.5
153.12805	2.3
155.08557	8.2
157.10146	12.6
157.11375	2.6
159.11661	13.1
161.13272	6.9
163.11171	6.6
163.14793	6.1
165.12779	2.3
169.10098	5.9
171.11700	6.2
173.13254	9.9
175.11192	5.6
175.14873	6.0
177.12701	7.2
181.10176	4.0
181.12114	2.7
183.11655	5.8
184.72792	2.1
185.13246	8.4
187.11304	3.8
187.14804	8.8
189.11230	9.2
189.16388	5.0
191.14330	2.7
191.18015	2.5
193.10194	2.7
193.12196	6.6
195.11571	3.0
197.13147	5.6
199.14774	6.8
201.12781	2.1
201.16399	5.1
203.17870	3.8
211.14862	4.6
213.16399	6.5
215.17914	2.8
225.16518	2.4
227.12708	26.9
227.17972	2.7
233.15327	2.4
241.19427	3.3
243.20950	4.1
261.22159	7.7
267.15894	21.0
267.20895	2.3
269.17258	3.4
277.21628	3.2
289.38980	2.2
301.19928	3.6
301.25220	13.6
317.25092	2.9
335.25797	16.0
341.24371	2.9
351.25400	4.0
357.27756	2.4
407.24173	2.4
417.31241	3.1
421.25751	6.4
435.32684	10.2
437.29004	4.5
453.33606	14.7
471.34500	12.6
485.36197	3.9
495.33237	12.0
496.23474	2.5
501.36264	2.4
509.36414	11.8
519.36896	17.9
527.37262	99.2
527.45288	4.9
528.04175	2.3
528.37439	6.8
541.38629	4.3
545.38336	96.9
546.38379	6.5
549.90393	2.5
559.39929	19.8
577.40881	31.6
578.41345	2.7
630.34430	5.9
631.38477	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	630.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.5
51.02359	1.1
53.03939	1.9
55.01861	0.6
55.05495	0.2
57.03421	1.2
60.12503	0.2
61.02922	0.3
65.22742	0.2
66.04705	0.3
67.05479	0.2
69.03419	7.5
69.07059	0.3
69.55571	2.2
70.06560	0.5
71.01324	0.3
71.04975	1.1
73.02901	0.7
78.03442	12.4
79.04214	0.3
79.05473	0.7
80.05013	2.6
81.03407	14.0
81.07046	0.5
82.94080	0.2
84.08121	0.3
85.02895	6.2
86.09680	0.3
91.03484	0.2
91.05475	1.8
93.07008	0.4
94.04171	1.7
95.04964	0.6
95.08559	0.2
96.04482	5.7
97.02872	4.3
99.04446	2.5
103.05439	1.0
105.07035	1.0
106.02901	52.5
107.03236	0.3
107.04920	0.3
107.08575	0.3
108.04482	0.3
109.02866	8.5
109.06503	0.5
113.90336	0.2
114.09149	0.4
117.03379	0.3
117.07007	0.5
119.04929	0.6
119.06060	0.7
121.06485	1.0
122.03633	3.4
124.03934	100.0
125.04276	1.1
127.03894	5.6
128.06229	0.7
129.06981	0.5
130.08575	0.4
131.04898	1.9
131.08542	0.9
133.06461	1.9
135.04427	0.3
135.08064	0.7
137.05959	41.4
138.06332	0.5
143.08528	1.2
145.02802	0.2
145.04930	0.5
145.06479	1.2
147.04395	0.5
147.08011	0.4
149.05946	0.3
151.07545	2.2
157.06506	0.6
159.08035	1.1
161.05954	0.4
163.03850	0.7
163.07513	3.8
166.04973	2.3
167.07001	1.7
168.07339	0.5
171.08003	1.4
174.06717	0.5
175.03947	0.5
175.07559	1.3
177.05452	0.7
177.09071	1.2
178.04880	0.2
179.07141	0.2
181.08568	0.4
187.07489	0.3
188.08356	0.7
189.09074	1.4
191.10646	0.5
196.06064	0.5
201.09149	0.4
202.04991	0.3
203.10654	2.4
207.06598	0.6
208.05997	0.7
221.11650	0.4
226.07072	2.6
232.06059	2.0
247.09694	0.3
250.07076	14.0
251.07494	0.4
263.10611	0.3
268.08121	66.3
269.08432	1.6
286.09171	6.5
287.09494	0.3
295.13272	1.1
327.15787	1.6
576.21924	0.4
592.85406	0.3
612.24298	2.6
630.25330	13.8
631.26147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72438	3.8
53.03927	5.4
55.01853	10.7
55.05504	46.5
55.32078	4.0
57.03427	11.9
57.07061	16.9
67.05498	100.0
68.05817	7.4
69.07061	43.6
69.40650	3.7
69.65779	19.2
69.66216	18.2
69.67854	4.1
70.07384	5.1
71.04977	6.1
71.08620	25.5
79.05480	51.6
81.03419	24.5
81.07048	93.7
82.07375	6.6
83.05005	5.1
83.08598	27.6
85.06550	8.5
85.10149	8.9
87.04464	4.8
89.06029	10.6
91.05467	57.5
93.07035	74.2
94.07338	7.6
95.04953	12.6
95.08591	80.2
97.06497	11.0
97.10155	17.1
99.08074	18.9
105.07014	53.5
107.04921	5.4
107.08575	37.7
109.06473	9.6
109.10141	35.7
110.10496	4.6
111.08105	5.8
117.07016	18.2
119.08574	41.5
120.08914	5.0
121.10145	27.1
123.08044	5.8
123.11739	11.0
125.09618	8.3
129.07001	12.3
131.08560	33.5
133.08562	7.5
133.10088	26.4
135.04443	4.7
135.08061	7.3
135.11674	18.2
137.13306	5.9
143.08531	13.3
145.10095	29.3
147.11636	20.2
149.09596	8.1
149.13280	8.4
151.11186	4.3
155.08582	6.1
157.10141	17.9
159.11697	20.7
160.05229	6.6
161.05980	10.3
161.09691	4.7
161.13246	8.2
163.11153	5.3
165.12646	4.6
169.10152	9.4
171.11716	11.0
173.13275	9.7
175.11345	4.1
177.12787	4.3
179.14325	9.8
183.11710	7.2
185.13208	9.8
187.07607	6.9
187.14806	12.9
199.14828	10.1
199.32956	4.1
201.16429	6.3
211.14880	6.1
215.17973	5.7
237.15947	4.8
261.22076	7.4
271.13284	9.5
275.20007	7.1
276.20490	5.5
277.21423	7.0
291.19598	7.3
331.26208	17.0
335.25818	10.4
336.25882	5.5
337.27115	5.5
341.30557	5.0
351.24887	5.2
501.39862	5.0
515.37189	22.6
519.41907	6.9
529.39197	10.5
537.42896	5.6
537.75360	5.6
580.45520	4.5
611.46539	61.7
629.47351	83.9
630.48584	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	629.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.0
55.01861	4.6
55.05264	1.9
55.05505	24.3
57.03428	9.7
57.07071	6.8
65.03925	3.0
67.05498	78.8
68.05817	2.3
68.12597	1.2
69.07063	22.1
69.79596	8.9
71.04991	3.4
71.08626	45.7
79.05011	2.3
79.05485	69.4
81.03403	6.8
81.07048	80.4
83.04967	8.4
83.08606	16.0
85.06519	4.1
91.04912	2.3
91.05473	47.7
93.07035	84.2
93.65585	1.1
95.04957	14.6
95.08596	63.2
96.08925	2.3
97.06532	9.5
97.10166	7.1
98.21387	2.6
99.08079	26.2
103.05446	1.9
105.04471	1.8
105.07023	37.0
107.04942	9.8
107.08583	47.8
109.06491	5.1
109.10143	21.5
111.08061	3.8
113.09622	2.3
117.06997	11.7
119.08573	28.0
120.33977	1.2
121.06469	3.0
121.09248	2.6
121.10130	35.1
123.08057	2.8
123.11666	6.1
125.09576	1.4
127.11253	1.2
129.06981	4.4
131.08549	21.3
133.06496	1.5
133.08583	1.6
133.10118	20.1
135.08032	3.1
135.11676	33.7
137.09584	3.1
137.13249	2.6
139.11162	1.9
141.06941	1.2
141.09122	3.3
143.08522	6.5
145.10100	14.9
147.07991	1.9
147.11671	13.8
149.09613	2.6
149.13239	13.0
151.11179	13.6
153.12671	1.4
155.08549	1.2
157.10132	5.4
159.11678	13.4
161.13234	15.9
163.11143	7.1
163.14810	8.4
167.10661	2.2
171.11714	3.8
173.11789	2.8
173.13246	10.3
175.14819	3.7
177.12740	4.3
177.16350	3.4
179.14291	63.3
180.14586	1.3
183.11661	2.6
185.13234	4.4
187.14807	4.1
189.12810	3.6
189.16360	2.2
197.13354	1.4
199.14815	3.1
201.16356	2.1
203.17938	1.7
210.63487	1.1
211.14882	1.6
213.16440	2.0
215.17883	1.9
217.15736	1.2
219.21034	1.7
221.15256	2.0
233.22633	1.4
235.16982	3.5
241.19548	3.3
243.21082	10.5
257.18951	1.5
259.20670	3.6
261.22165	14.0
273.18469	1.6
275.19962	3.1
276.20465	2.1
277.21609	61.3
278.22012	1.8
291.19583	2.8
295.22650	5.3
305.01199	1.3
310.90439	1.3
317.24747	10.5
335.25772	56.5
336.26114	3.4
337.26645	1.7
351.25250	46.5
386.59824	1.3
423.32913	1.3
437.34171	2.0
439.36005	1.8
457.37082	2.1
497.36780	1.5
503.37195	1.7
513.39447	6.9
515.37341	6.2
517.38629	4.1
527.05060	1.4
529.38739	3.6
537.42523	2.1
553.94818	1.3
593.45367	1.7
611.46600	100.0
612.47217	5.8
629.47693	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.6
65.03905	0.3
67.05466	0.7
68.31129	0.3
69.07050	0.4
75.65683	0.3
79.05482	0.4
81.07010	0.9
91.05470	0.5
93.07047	0.3
95.08575	0.5
98.20613	0.4
105.06992	0.4
107.08559	0.5
143.08530	0.3
176.57558	0.3
182.37256	0.3
229.79646	0.4
284.36813	0.3
392.88599	0.3
410.13803	0.9
411.14499	1.6
412.15231	0.9
414.17023	0.3
423.14926	0.5
424.15442	1.3
425.15997	5.4
426.16785	2.7
427.17667	3.3
437.16257	0.7
438.17831	1.6
439.17871	10.7
440.18433	8.0
441.18909	2.3
442.20230	1.7
452.13940	3.4
453.10379	0.2
453.15396	29.4
454.15717	3.4
454.20255	3.0
455.20810	39.7
456.21085	3.7
465.15533	0.3
466.15640	1.7
467.16949	32.4
468.17575	10.9
469.17612	0.5
469.23380	0.4
470.15417	0.4
471.16788	1.0
479.17056	0.4
480.17789	0.4
481.18378	7.3
482.19177	35.4
483.19733	4.4
484.16983	0.5
485.17886	1.6
486.18982	0.6
494.18436	1.1
495.20667	2.0
496.22556	0.4
499.19876	0.8
500.20584	1.0
508.19562	0.7
509.21979	1.3
510.22287	0.5
511.19339	0.5
512.20465	1.4
513.20972	1.7
514.21729	1.3
523.21204	1.0
524.20306	0.4
526.21838	1.0
527.22681	0.9
528.23584	3.4
537.21344	0.5
540.20056	0.6
541.24866	4.7
542.25024	0.9
553.22113	1.6
554.21362	1.2
559.25916	0.4
569.23895	100.0
570.24084	7.1
597.23297	2.3
600.22327	2.1
601.26392	3.9
614.24109	0.4
629.25873	98.1
630.26001	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	629.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72438	3.8
53.03927	5.4
55.01853	10.7
55.05504	46.5
55.32078	4.0
57.03427	11.9
57.07061	16.9
67.05498	100.0
68.05817	7.4
69.07061	43.6
69.40650	3.7
69.65779	19.2
69.66216	18.2
69.67854	4.1
70.07384	5.1
71.04977	6.1
71.08620	25.5
79.05480	51.6
81.03419	24.5
81.07048	93.7
82.07375	6.6
83.05005	5.1
83.08598	27.6
85.06550	8.5
85.10149	8.9
87.04464	4.8
89.06029	10.6
91.05467	57.5
93.07035	74.2
94.07338	7.6
95.04953	12.6
95.08591	80.2
97.06497	11.0
97.10155	17.1
99.08074	18.9
105.07014	53.5
107.04921	5.4
107.08575	37.7
109.06473	9.6
109.10141	35.7
110.10496	4.6
111.08105	5.8
117.07016	18.2
119.08574	41.5
120.08914	5.0
121.10145	27.1
123.08044	5.8
123.11739	11.0
125.09618	8.3
129.07001	12.3
131.08560	33.5
133.08562	7.5
133.10088	26.4
135.04443	4.7
135.08061	7.3
135.11674	18.2
137.13306	5.9
143.08531	13.3
145.10095	29.3
147.11636	20.2
149.09596	8.1
149.13280	8.4
151.11186	4.3
155.08582	6.1
157.10141	17.9
159.11697	20.7
160.05229	6.6
161.05980	10.3
161.09691	4.7
161.13246	8.2
163.11153	5.3
165.12646	4.6
169.10152	9.4
171.11716	11.0
173.13275	9.7
175.11345	4.1
177.12787	4.3
179.14325	9.8
183.11710	7.2
185.13208	9.8
187.07607	6.9
187.14806	12.9
199.14828	10.1
199.32956	4.1
201.16429	6.3
211.14880	6.1
215.17973	5.7
237.15947	4.8
261.22076	7.4
271.13284	9.5
275.20007	7.1
276.20490	5.5
277.21423	7.0
291.19598	7.3
331.26208	17.0
335.25818	10.4
336.25882	5.5
337.27115	5.5
341.30557	5.0
351.24887	5.2
501.39862	5.0
515.37189	22.6
519.41907	6.9
529.39197	10.5
537.42896	5.6
537.75360	5.6
580.45520	4.5
611.46539	61.7
629.47351	83.9
630.48584	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	629.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88705	0.7
55.05499	1.1
57.03424	0.9
63.51063	0.7
67.05484	1.6
69.03419	0.9
69.07043	2.8
71.40369	1.1
71.40706	1.2
79.05481	1.1
80.85171	0.6
81.03409	1.6
81.07040	3.4
83.04948	1.1
85.02890	2.0
91.05460	1.3
93.07037	1.9
94.06558	0.9
95.04942	1.2
95.08582	2.4
97.06496	0.9
105.07003	2.6
107.08564	2.3
108.08108	0.8
109.06535	0.9
109.10169	1.7
111.04446	0.9
117.06948	0.8
119.08589	1.8
119.42883	0.6
121.10191	1.4
122.06015	0.9
123.11631	0.7
127.31625	0.8
131.08510	1.0
133.06230	0.7
133.10106	1.8
135.07996	1.0
135.11647	1.0
136.07558	0.8
140.07062	1.4
143.08530	0.7
145.10146	1.4
146.05962	1.0
149.09645	0.9
157.14537	0.7
159.11668	0.9
161.13252	0.7
172.07578	0.9
197.07007	1.0
199.08688	0.9
209.13254	0.7
211.08772	1.9
221.10724	1.4
225.10286	1.2
235.08568	2.5
236.09348	1.3
237.10217	1.9
247.08611	1.7
248.09332	0.8
249.10202	14.9
250.10916	2.8
251.11751	5.3
258.36087	0.7
261.10153	1.0
262.10663	0.6
263.08151	2.6
263.11710	3.2
264.12430	0.7
265.09775	1.2
265.13400	1.1
267.11072	0.7
277.09659	6.1
278.10400	1.2
279.11288	2.5
281.09067	1.6
291.11249	1.0
293.09024	1.0
295.10785	1.6
307.82425	0.7
309.12402	5.8
310.13007	1.4
311.13806	2.5
312.11475	1.6
313.12079	1.8
323.10281	3.7
323.13882	8.6
324.11243	0.9
324.14969	1.6
325.12918	1.5
326.13205	2.2
327.13690	3.8
328.14499	4.0
329.15283	0.9
337.12155	0.8
338.12943	1.1
338.16650	3.7
339.17462	5.6
340.10843	2.0
340.14520	2.4
340.18054	1.0
341.11493	8.4
341.15088	1.1
342.12326	6.0
342.16061	3.6
343.12701	0.9
344.13452	0.8
352.14389	2.8
353.12073	1.3
354.12244	8.1
354.16022	1.2
355.13126	8.5
356.13867	22.4
356.17465	1.2
357.14575	3.1
358.15643	1.3
364.14365	2.0
366.15997	2.4
367.13074	1.5
367.16748	8.4
368.09976	1.5
368.13947	6.1
369.14743	8.0
370.15472	13.3
371.16089	2.8
372.17294	1.4
380.13953	6.1
381.11224	1.2
382.11252	3.9
382.15570	2.8
383.12491	2.9
383.16763	1.4
384.13199	6.8
384.17142	9.3
385.17746	2.2
386.14365	1.0
386.18713	2.4
392.13931	1.1
393.12198	0.6
394.15811	1.4
395.12662	0.9
396.13309	5.0
397.14001	2.6
398.14816	13.4
398.18832	8.8
399.19403	3.1
400.12683	1.1
401.13672	12.3
410.14911	2.5
411.15598	2.1
412.16562	7.7
413.17084	0.9
414.14368	11.7
415.15155	1.4
416.15790	4.2
417.16714	2.2
426.17874	1.3
427.18362	1.0
428.16193	2.1
429.16782	8.0
430.17603	11.1
431.17911	1.1
431.31110	1.6
438.14401	8.1
439.15073	2.9
440.16171	1.7
442.13782	1.2
444.19113	16.1
444.24948	1.3
445.19855	2.3
456.15527	8.3
457.16290	30.3
458.17044	27.5
458.23523	1.2
459.17249	1.2
460.18686	1.0
471.17593	1.6
472.18503	2.2
474.16483	6.0
485.28424	0.8
488.18082	13.8
489.18866	100.0
490.19571	31.7
491.20007	1.3
579.22290	3.6
597.23322	20.0
598.23914	1.6
611.25098	5.1
629.25867	31.0
629.40070	29.8
630.25781	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	628.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02386	0.6
51.63941	0.3
53.03945	1.4
53.66805	0.3
55.01860	0.7
55.05509	0.6
57.03432	0.8
60.24556	0.3
65.03955	0.3
67.05495	0.8
69.03422	3.7
69.07051	0.6
70.06588	0.8
70.92272	0.9
71.04990	1.1
72.08140	0.5
73.02918	0.4
78.03445	4.9
79.05479	1.6
80.05009	0.8
81.03410	8.1
81.07061	1.6
83.04961	0.4
84.08115	0.4
85.02891	3.4
85.06500	0.3
86.09694	0.8
91.03950	0.4
91.05466	3.1
93.07041	1.7
94.04164	1.3
95.04945	1.1
95.08604	0.9
96.04485	2.4
97.02875	2.7
97.06525	0.9
99.04441	1.7
103.05453	6.1
105.07020	1.8
106.02904	22.4
107.04946	0.7
107.08591	1.2
108.05752	0.5
109.02863	4.7
109.06503	0.8
109.10159	0.5
110.07186	0.3
114.09152	1.4
114.12797	3.9
115.03868	0.4
115.05458	1.2
117.03360	0.4
117.07004	2.4
119.04917	2.2
119.08584	0.5
121.06512	1.1
121.10128	0.5
122.03653	3.1
123.08052	2.2
123.11615	0.3
124.03937	32.4
127.03898	2.6
127.07631	0.3
128.06230	0.7
129.06993	0.5
130.08647	0.5
131.04910	13.6
131.08533	0.6
133.06502	0.7
133.10120	0.7
135.08025	1.5
137.05963	43.7
138.05453	0.6
138.06400	0.4
141.06984	0.3
143.08479	1.3
145.02820	1.0
145.06502	0.9
145.10095	0.3
146.03580	0.6
147.04443	1.4
147.08020	0.3
147.11749	0.4
149.05988	0.9
149.09592	0.8
149.13249	0.3
151.07527	13.0
157.06468	0.6
157.10068	0.3
159.11662	0.5
160.05128	0.3
160.09709	0.3
161.05971	3.4
162.06743	1.8
163.03873	0.9
163.07527	42.8
164.07845	0.4
165.09178	0.5
166.04956	0.3
167.07114	0.4
167.08611	0.4
171.08044	1.2
171.11722	0.4
175.03883	0.5
175.07530	4.1
177.05840	2.6
177.09088	100.0
178.05801	0.6
178.09416	0.8
185.09500	0.3
187.07539	0.4
187.10985	0.3
188.08368	0.4
189.09117	1.1
191.10689	0.3
195.08217	0.7
195.10135	9.0
201.08972	0.3
203.10658	1.4
207.06488	0.8
207.08247	0.4
207.10086	0.3
207.13899	0.4
212.07820	0.3
219.10204	1.0
221.11699	16.7
224.08191	0.3
227.10556	0.4
231.08124	0.3
235.07428	0.3
250.07085	4.2
253.08603	0.4
253.12175	0.6
255.10187	0.8
256.07941	0.3
261.09103	0.5
265.08588	1.0
265.12222	0.3
267.10217	0.6
268.08121	8.6
269.17490	1.0
273.11371	0.3
278.09430	0.3
284.07648	6.5
284.10724	0.7
285.11255	0.4
286.09308	0.5
287.12762	1.1
293.11670	1.2
297.11252	0.6
299.12790	1.7
311.12756	3.7
313.11084	0.3
313.14377	1.1
325.14551	0.4
327.15860	0.4
331.15335	3.6
343.15320	5.0
345.16983	0.6
462.17673	0.4
580.21179	0.4
598.22736	3.4
628.24579	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	629.2234
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.08566	0.4
52.60772	0.4
52.98442	0.4
61.80640	0.4
65.26125	0.4
67.05465	0.4
71.03529	0.9
71.03892	0.7
79.05436	0.6
81.07010	0.7
91.05439	0.6
93.06973	0.4
95.08550	0.8
105.06945	0.7
109.06365	0.4
120.44952	0.5
133.10103	0.5
148.08443	0.4
273.24692	0.6
396.12384	1.1
397.12637	2.0
398.13895	0.9
399.14642	0.8
400.15540	0.6
409.12833	0.6
410.13702	3.1
411.14459	6.3
412.15289	5.1
413.16074	4.3
414.16864	0.6
423.14511	1.2
424.16071	2.6
425.16226	15.4
426.16861	8.2
427.17719	2.7
428.18549	3.6
429.19241	0.6
430.16473	0.5
437.16144	0.9
438.12442	3.3
438.18335	0.7
439.13580	20.4
440.13406	0.8
440.19052	7.2
441.19232	43.2
442.19525	1.6
443.17661	0.5
452.14398	3.6
453.15302	24.9
454.15851	6.0
455.16364	0.7
456.17813	1.7
457.15161	0.4
458.15872	0.8
463.13971	1.0
465.15741	0.8
467.17084	28.0
468.17838	21.5
469.18741	11.4
470.19382	0.7
471.16458	2.0
472.17267	0.8
480.17606	1.1
481.14514	10.4
482.14566	2.1
482.21445	0.7
483.15942	0.5
484.21661	3.3
485.17221	2.0
486.18958	1.0
494.17117	0.4
495.16684	1.7
496.17154	13.6
497.17804	1.5
498.18842	1.5
499.19479	1.8
500.20667	5.2
508.19333	0.7
509.18314	2.3
510.18710	0.5
512.20996	3.2
513.21686	6.3
514.22455	1.1
523.19708	1.6
525.21930	0.7
526.18542	0.8
527.19165	0.7
528.19946	1.3
531.22498	0.6
532.23315	0.5
537.18396	0.7
541.20782	43.9
542.21124	2.2
551.18903	0.6
553.20789	0.9
554.17426	0.6
569.20215	100.0
570.20392	5.2
572.18854	0.8
573.23303	2.8
587.21271	0.5
597.19659	30.8
598.19897	1.1
600.22192	1.4
601.22876	14.2
611.20959	0.5
615.20715	0.8
629.22235	89.6
630.22302	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	628.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02387	0.4
51.33212	0.3
53.03933	1.3
55.01859	0.7
55.05513	0.6
57.03437	0.7
65.03928	0.4
67.05495	1.2
69.03417	4.1
69.07039	0.7
70.06573	1.0
71.04984	0.9
71.08378	0.7
71.77090	0.3
72.08160	0.4
73.24309	0.3
74.58394	0.3
77.03931	0.4
78.03445	4.3
79.05473	1.8
80.05009	1.0
81.03400	8.6
81.07030	1.6
84.08102	0.5
85.02892	3.2
86.09686	0.6
89.93391	0.3
91.03956	0.4
91.05453	3.3
93.07034	1.8
94.04169	1.0
95.04959	1.0
95.08588	0.7
96.04480	2.5
97.02873	3.2
97.06520	0.5
99.04440	1.4
103.05452	6.2
105.06383	0.3
105.06998	1.4
106.02895	22.2
107.04967	1.0
107.08584	1.2
109.02871	4.1
109.06512	1.0
109.10136	0.6
111.04476	0.5
111.08054	0.3
114.09138	1.7
114.12782	3.9
115.03916	0.9
115.05437	1.0
115.89012	0.3
117.07008	2.3
119.04919	2.2
119.08563	0.9
120.08080	0.4
120.08910	0.3
121.06497	1.6
121.10127	0.5
122.03622	3.0
123.08064	1.8
124.03931	36.1
127.03892	2.5
128.06230	0.7
129.06970	0.7
130.08629	0.4
131.04909	13.4
131.08527	0.4
133.06508	0.8
134.07208	0.3
134.76433	0.3
135.04413	0.4
135.08037	1.3
135.11665	0.4
136.05176	0.3
137.05952	46.3
143.08510	0.9
145.02826	1.2
145.04987	0.3
145.06465	0.9
145.10078	0.3
146.03452	0.4
147.04376	1.2
147.11618	0.5
149.05984	1.1
149.09587	0.6
149.13226	0.3
151.07520	12.9
152.12292	0.3
159.08055	0.5
159.11581	0.4
160.05197	0.4
161.05960	4.2
162.06731	2.0
163.03912	0.8
163.07516	41.9
164.07994	0.3
165.06924	0.5
165.09109	0.5
166.04910	0.6
167.07129	0.4
167.08521	0.4
171.08011	1.1
174.06776	0.5
175.03839	0.5
175.07523	3.6
177.05836	2.8
177.09077	100.0
178.05873	0.6
178.09419	1.0
181.08542	0.3
189.09097	1.2
192.18765	0.3
194.07283	0.3
195.10135	8.7
203.08859	0.4
203.10535	1.4
207.06462	0.7
207.08211	0.5
207.10075	0.3
211.07614	0.4
219.08183	0.3
219.10199	1.0
221.05920	0.4
221.09569	0.8
221.11696	16.6
222.06764	0.4
223.07491	0.4
226.06970	0.4
227.10522	0.4
232.06085	0.4
237.09114	0.5
249.09042	0.4
250.07079	5.0
253.08659	0.3
255.10214	1.0
265.08542	1.2
265.12271	0.3
267.10175	0.5
268.08099	9.3
269.07864	0.3
269.17465	0.5
283.10016	0.3
284.07605	6.8
285.11310	0.6
286.09100	0.6
287.12631	1.0
293.11652	0.8
297.11075	0.8
299.12729	2.0
311.12753	4.1
313.14316	1.1
325.14301	0.3
327.15695	0.4
329.19281	0.3
331.15344	3.4
343.15326	5.2
345.16785	0.4
447.17084	0.4
517.02313	0.4
532.74298	0.3
593.11359	0.3
598.22766	4.0
610.22559	0.4
628.23376	2.3
628.33044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03930	2.0
54.72353	0.4
55.01869	0.7
55.05492	0.5
57.03421	1.5
57.42994	0.4
61.02909	0.6
69.03413	7.1
69.07052	0.7
70.06567	1.4
71.04977	1.2
71.75593	0.3
71.79516	0.5
72.08134	0.6
73.02899	0.7
78.03442	9.3
79.04306	0.5
79.05479	0.9
80.05019	2.7
81.03406	14.6
81.07043	1.3
83.04977	0.4
83.08520	0.4
84.08139	0.7
85.02895	7.9
86.09711	0.6
87.04452	0.5
91.05476	2.5
93.07050	0.7
94.04176	0.7
95.04959	1.1
95.08599	1.0
96.04494	4.9
97.02886	5.2
97.06515	0.7
99.04419	2.7
99.69251	0.4
103.05457	0.8
106.02901	45.8
107.04961	1.0
107.08571	0.6
109.02856	7.7
109.06502	1.1
111.04398	0.5
114.09120	0.9
115.05405	0.8
117.03384	0.6
117.07009	0.5
119.04930	1.4
119.08593	0.8
121.06513	0.8
121.10155	0.7
122.03645	1.2
123.04404	1.0
124.03935	100.0
125.04251	1.4
127.03902	6.0
128.06253	0.9
129.06995	6.5
130.08629	0.8
131.04915	2.5
131.08551	4.2
133.10170	0.5
135.04385	0.4
136.03973	1.0
136.07545	0.7
137.05963	20.3
138.05408	0.5
138.06346	0.5
139.11162	0.5
140.07072	0.4
141.06973	2.4
143.04912	0.6
143.08553	0.6
145.02811	1.7
145.04910	0.8
145.06487	1.1
145.10117	0.5
146.07230	0.5
146.08313	0.5
147.04378	1.6
147.11615	0.5
149.05963	1.4
149.48215	0.4
151.03874	0.9
151.07570	2.3
157.06471	6.8
158.07219	2.3
159.08015	3.6
159.09190	0.6
159.11601	0.5
160.05199	0.7
161.05948	0.8
161.09583	0.7
163.03894	2.2
163.07507	1.8
166.04965	1.6
166.75534	0.4
167.07024	1.3
169.06456	2.0
170.07344	0.7
171.08084	0.6
171.20258	0.4
173.09616	0.4
174.05304	0.6
174.06740	7.9
175.03925	1.1
175.07498	2.8
177.05437	2.7
177.09119	0.7
178.05919	0.4
181.04945	0.5
181.08568	0.5
186.06761	3.5
187.07487	0.9
189.09079	21.7
191.10632	1.0
201.09081	30.9
201.14812	0.9
202.09448	0.6
203.06992	0.4
203.10651	1.7
207.06532	2.2
207.10129	1.0
213.09015	0.5
219.10138	27.6
220.10612	0.5
226.07179	2.0
232.06027	1.7
233.09807	0.5
243.11406	0.4
250.07079	15.7
250.09685	0.8
268.08124	72.6
269.05902	0.4
269.08289	2.2
271.09628	0.6
284.07568	1.4
285.12173	0.5
286.09131	0.8
303.04932	0.9
309.10651	0.4
311.12589	0.6
313.14499	0.4
325.14313	1.5
343.15393	0.6
456.16290	2.0
467.09467	0.8
471.60104	0.4
474.17731	2.1
486.17331	1.3
580.22089	0.4
592.21198	0.5
598.22339	0.7
610.22650	0.6
628.23651	6.6
628.32800	0.4
629.24518	0.7
645.02362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03927	3.0
55.01859	1.1
56.25893	0.7
57.03419	0.8
58.06574	1.9
58.68050	0.7
65.11722	0.6
66.04721	0.8
67.05495	1.2
68.38420	0.8
69.03417	9.6
69.07040	1.5
70.06577	1.7
71.04974	0.8
72.08122	0.8
73.02903	0.7
73.42542	0.6
74.05351	0.6
78.03436	11.6
79.05482	1.5
80.04999	2.7
81.03407	16.4
81.07034	1.9
84.08115	0.9
85.02886	7.2
85.08897	2.1
86.09689	1.9
87.04408	0.8
91.05462	8.6
93.07004	1.2
94.04155	1.4
95.01325	1.0
95.04951	2.0
95.08629	0.7
96.04494	5.3
97.02892	5.5
99.04437	3.4
103.05441	2.5
103.40513	0.7
105.07011	1.7
106.02898	49.8
107.04924	2.9
109.02862	9.6
109.06515	2.3
111.04411	0.7
114.09175	1.6
114.12786	66.6
115.03880	0.7
115.05431	2.3
117.03313	0.9
117.06989	1.8
119.04920	6.5
119.05783	0.7
119.06052	0.7
119.08552	0.7
121.06475	2.6
121.10130	0.7
122.03661	3.4
124.03929	100.0
127.03886	7.1
128.06206	2.7
129.06978	17.6
130.07724	0.7
130.08620	1.1
131.04904	5.9
131.08537	10.6
133.06456	1.1
133.10071	0.8
135.04332	0.8
135.08025	1.1
136.03917	28.1
137.05952	58.4
138.06279	0.9
141.06972	7.0
143.04939	1.6
143.08569	0.8
144.05688	1.7
145.02829	1.3
145.04897	1.1
145.06482	3.4
146.07263	0.9
147.04390	1.7
147.08028	0.8
148.05113	0.9
149.05965	6.5
151.03854	1.8
151.07520	30.3
153.05341	0.8
153.06927	0.9
154.04976	7.7
155.64307	0.7
157.06458	16.7
158.07220	4.0
159.04482	0.8
159.08041	9.7
160.05156	2.5
160.09686	1.0
161.05960	6.6
161.09584	2.7
163.03897	2.0
163.07523	9.3
165.06955	1.3
165.09152	1.5
166.04932	1.2
167.07013	2.4
167.08580	2.3
169.06419	4.1
170.07242	0.9
174.05302	1.5
174.06737	21.8
175.07513	9.7
177.05447	2.6
177.09067	3.5
181.04941	0.8
186.06689	5.0
187.07532	1.6
188.08376	1.3
189.09073	59.2
190.09465	0.9
191.10638	2.6
193.06458	1.8
193.10110	1.5
195.08000	5.5
201.09099	12.9
203.08611	0.8
203.10609	1.8
204.10164	1.6
207.06488	1.9
207.10117	8.1
209.05978	0.7
209.07939	0.9
210.06694	1.5
211.07433	0.9
212.08478	1.0
213.09155	0.7
216.10155	1.2
219.10133	67.2
221.05946	2.6
221.09532	1.7
223.07478	2.7
224.08250	1.1
225.09084	2.6
226.07063	2.8
227.10637	8.9
227.21199	1.1
228.96466	0.8
232.06068	2.9
233.09552	0.7
233.12877	1.8
238.06290	1.3
240.07768	1.9
249.09100	2.1
250.07069	18.3
253.08553	4.0
253.12209	4.2
255.06448	0.7
255.07530	1.0
255.10086	8.7
255.20697	2.8
260.40082	0.8
265.08524	1.0
265.12241	0.9
266.09521	0.8
267.10107	2.2
268.08121	83.2
269.08252	1.9
271.09677	0.9
272.10379	1.1
280.08069	4.1
281.11606	1.8
284.07578	1.4
284.10449	1.1
284.32300	0.7
285.11218	6.0
287.12750	10.5
293.11716	1.7
297.11322	1.7
297.14767	0.9
298.09146	4.5
299.12735	1.7
309.11517	0.9
311.12778	0.9
313.14230	9.0
314.14328	0.8
325.14246	3.6
331.15353	51.7
337.10648	2.1
343.15393	6.1
346.21274	3.0
374.20660	0.9
474.17715	1.1
598.22748	34.3
599.22864	0.8
610.22632	4.7
628.23901	12.9
628.40570	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01867	15.2
55.05503	33.8
57.03429	13.7
57.07067	9.7
65.03910	4.0
67.05497	83.6
69.03407	1.7
69.07059	46.2
69.68713	16.9
71.04980	6.0
71.08619	40.6
79.05480	71.9
81.03405	11.2
81.07042	87.1
83.04974	9.6
83.08606	17.3
85.06509	4.7
91.05468	75.6
93.07030	81.4
94.07318	1.9
95.01300	4.0
95.04957	15.0
95.08593	67.3
96.26380	1.9
97.06516	27.2
97.10147	10.1
98.20724	3.6
99.08083	26.2
103.05470	2.1
105.07016	83.0
107.04953	15.8
107.08574	46.1
109.06498	6.0
109.10141	26.2
111.08063	6.5
111.11698	2.0
113.09618	2.5
115.05455	3.1
117.07007	24.6
119.08562	52.4
121.06496	3.6
121.10126	33.1
123.08073	7.8
123.11697	7.1
125.09612	4.8
128.06207	4.8
129.06987	16.2
130.07841	2.2
131.08545	45.1
133.06506	2.0
133.10112	43.3
135.08054	3.2
135.11674	26.6
137.09625	4.2
137.13260	4.2
141.06902	4.2
142.07794	2.7
143.08553	17.4
143.80247	1.9
145.10088	35.2
147.08054	2.4
147.11671	26.9
149.09601	10.2
149.13242	15.2
151.11166	8.9
153.12723	2.8
155.07335	1.6
155.08551	8.2
157.10107	15.0
159.11690	24.3
161.09674	1.9
161.13248	24.6
163.11186	9.5
163.14870	6.7
164.88118	1.8
165.09151	4.0
165.12741	2.5
167.08519	3.3
169.10081	10.0
171.11664	15.5
173.11795	3.1
173.13219	16.5
175.14793	9.4
177.12712	5.6
177.16447	2.8
179.14294	29.5
181.10094	4.9
183.11743	10.6
185.13200	13.5
187.11261	2.4
187.14821	10.4
189.12817	2.0
191.14275	2.1
195.11703	5.2
197.13220	5.5
199.14818	5.6
201.16344	5.1
207.11728	1.9
207.13762	2.4
209.13304	3.7
211.14790	3.4
213.16490	2.6
215.17909	4.2
219.17491	4.9
221.13382	3.7
221.15312	2.0
223.14813	4.6
225.16380	2.6
229.19609	2.4
231.21210	2.3
237.16386	2.8
239.17908	4.2
241.19463	13.5
243.21016	8.6
257.19086	5.1
259.20532	18.4
261.22098	9.4
267.16052	2.0
273.18628	2.2
275.20053	49.8
277.21652	20.5
293.21085	13.9
315.23218	4.7
317.24768	4.6
323.23907	2.3
333.24274	19.1
335.25787	31.4
336.26254	4.0
349.23663	28.2
351.25278	22.0
409.30756	2.1
414.27164	2.2
419.33176	2.8
424.35501	1.8
435.32275	2.8
437.34100	12.4
483.34698	2.0
511.37946	5.7
513.39526	1.9
515.37360	7.4
517.40283	5.3
529.38843	6.1
535.41461	6.1
553.42566	4.2
609.45087	100.0
610.45209	6.6
627.46112	84.2
628.46680	5.8
647.39331	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	627.2804
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03940	0.6
55.01855	0.7
55.05494	1.4
57.03423	0.3
67.05504	2.3
67.45953	0.3
69.03429	0.6
69.07056	1.1
69.50366	0.9
69.50761	3.8
70.02928	0.9
79.05479	1.6
81.03408	0.8
81.07047	2.2
81.93010	0.3
82.07373	0.4
83.04942	0.5
83.08571	0.5
88.79856	0.4
91.05453	2.2
93.05822	0.4
93.07041	2.0
95.04958	1.0
95.08595	1.1
97.06567	0.5
97.10148	0.4
105.07023	1.6
107.08582	1.3
109.10151	1.0
115.89624	0.4
117.05775	0.4
119.08579	1.1
121.10148	0.5
122.05988	0.6
129.07004	0.5
131.07288	0.9
131.08583	1.2
133.10133	0.8
135.08041	0.5
135.11668	0.6
136.07568	1.3
138.09201	0.4
143.07289	0.4
143.08546	0.7
144.08067	0.6
145.08937	0.4
145.10132	0.6
146.09621	0.7
147.11725	0.3
155.08507	0.6
157.10155	0.4
158.08379	0.4
158.09598	0.4
163.03720	0.3
164.20114	0.3
171.11723	0.4
172.07576	0.9
172.09982	0.5
174.09120	3.6
182.09630	0.8
183.09114	0.4
184.07588	0.4
185.07202	0.4
186.07826	0.4
186.09265	0.5
187.08720	1.0
187.12271	3.3
188.10756	1.9
189.13120	0.3
196.10048	0.5
197.07104	0.5
197.10786	1.2
198.09285	0.5
199.08665	0.7
199.14880	0.4
200.09453	0.5
203.11888	0.4
206.62422	0.4
209.10817	0.4
211.08722	1.2
212.09225	0.8
213.10130	0.7
215.11824	2.0
223.08688	0.6
224.09506	1.3
225.10207	3.1
226.10992	0.4
227.11725	2.7
235.08690	1.1
236.09430	0.5
237.10323	1.1
238.11327	0.4
239.11655	1.7
240.12611	0.4
241.09731	1.0
241.13344	2.5
243.11278	18.5
244.11597	0.5
247.08638	0.4
248.09529	0.4
249.10262	1.3
250.11151	0.4
251.11836	1.4
252.08942	1.1
253.09766	1.1
255.11269	0.7
263.11859	0.5
265.09772	0.7
265.13110	0.6
267.11267	6.4
267.15778	0.4
269.12830	2.3
275.11829	0.4
275.20108	0.5
277.09714	1.6
279.11069	0.5
281.13068	0.4
283.14453	0.5
284.11792	0.4
285.12369	2.5
290.09195	0.5
291.11166	1.0
293.12897	0.5
295.10733	2.3
296.11407	0.6
299.14032	1.1
300.11490	0.7
300.14954	0.5
301.15558	2.9
304.11115	0.6
306.12360	0.4
309.12308	2.0
311.13766	0.5
314.12991	1.3
315.13943	0.6
316.10825	0.7
316.14413	0.6
317.11673	0.7
318.12390	0.4
319.10773	0.9
319.14325	0.6
320.14151	0.5
325.15451	6.3
327.13431	4.2
328.10840	1.8
328.14435	1.2
329.11487	0.9
329.15298	0.6
330.12396	2.3
330.15863	0.8
331.13174	0.6
332.13913	0.6
334.15643	1.0
336.13531	0.5
341.11804	0.7
342.12445	2.3
342.15759	0.6
343.13193	2.0
344.13956	3.5
344.17685	0.6
345.14676	1.3
346.15433	1.6
348.13303	2.8
353.15103	0.5
354.12256	0.7
354.16171	0.6
355.13181	0.6
356.13702	2.2
356.17841	0.4
357.14465	1.8
358.15247	2.6
359.16000	0.4
360.17154	0.9
369.14828	0.5
370.15851	1.9
371.16592	0.8
372.13174	0.6
372.17157	3.4
384.12988	0.8
384.17169	1.3
385.18039	0.7
386.14444	2.0
386.18848	1.6
398.14993	0.9
400.16623	1.6
402.14432	0.5
403.16028	1.0
405.16681	0.5
406.17142	0.4
407.15097	0.7
411.14691	0.5
412.16412	0.9
416.15616	0.6
417.16693	0.6
418.17822	1.2
420.16476	0.4
421.16830	0.6
422.17166	0.6
428.16061	0.7
430.17633	1.3
431.18301	1.4
432.19791	2.6
433.20035	0.5
435.14426	1.2
435.19128	0.5
436.19815	0.7
437.20059	2.0
444.19214	0.5
445.19937	1.4
446.30075	0.5
447.17252	0.6
447.21921	1.4
447.30020	0.8
448.15491	0.4
448.21884	0.5
449.15326	0.8
449.20517	0.8
450.16800	0.5
451.16757	1.0
451.22125	0.8
452.22537	0.6
460.18628	0.6
461.23309	1.2
462.23987	1.6
463.22168	2.4
464.18790	0.4
464.22641	0.4
465.18823	10.3
466.19806	1.1
472.19150	0.4
475.21027	0.6
477.19421	1.5
478.20230	1.4
479.20642	4.7
480.21576	3.4
481.22156	2.5
489.22876	1.1
490.22433	0.8
491.20712	1.0
492.21729	3.0
493.22830	3.4
494.23151	1.1
495.16791	3.2
496.17007	0.5
503.20306	0.4
504.21313	2.3
505.21503	0.7
506.22827	1.2
507.24142	4.0
508.21207	1.1
509.21924	0.5
517.22363	1.1
518.21539	0.5
520.21191	0.9
521.25470	0.7
527.26685	0.6
535.23389	5.2
536.23907	0.5
537.20990	0.6
540.23486	0.5
541.24347	0.5
549.16431	0.4
549.24908	8.6
550.24945	1.3
552.23383	0.5
553.24573	1.3
554.24347	0.5
563.22809	0.7
567.19220	1.7
567.25989	44.6
568.18573	0.6
568.26361	3.1
577.24371	1.1
595.25446	33.5
596.25885	2.1
609.27142	0.8
627.28064	100.0
628.21173	4.4
628.28571	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	627.1551
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03936	0.3
55.01862	0.4
55.05512	0.2
57.03432	2.2
61.02927	1.7
68.99783	0.5
69.03421	1.6
70.06583	0.3
71.04986	11.1
71.79252	0.2
71.79614	0.2
72.08151	0.2
73.02896	0.7
74.27703	0.1
75.04463	0.5
76.51341	0.1
81.03412	1.2
83.04974	0.5
84.08099	0.2
85.02897	18.7
86.03225	0.4
86.09688	0.4
87.04459	0.5
91.03947	0.6
91.05443	0.3
95.04979	0.1
97.02882	2.7
99.04462	0.4
109.02876	1.4
111.00802	1.7
111.04430	0.5
114.09158	0.2
121.02855	0.3
123.04376	0.2
125.02295	0.2
126.03159	0.2
127.03894	1.7
128.04253	0.2
129.04552	0.3
129.05472	3.7
130.08539	0.2
132.10829	0.2
137.02339	1.6
139.03879	0.2
145.02834	0.3
145.04947	2.7
146.05269	0.3
147.04384	0.3
147.06497	1.3
153.01810	7.2
153.05397	0.3
163.03961	0.3
163.05968	0.9
165.01840	2.7
166.02611	0.5
177.05463	0.4
179.03296	1.0
181.04910	0.3
181.08559	0.6
182.09023	0.2
183.02945	1.1
184.07382	0.3
189.05479	0.7
193.01375	0.2
195.02888	0.5
199.03851	0.3
201.05493	0.4
203.03387	0.4
207.02736	0.3
217.04953	2.3
221.04437	0.2
227.03398	0.3
229.04933	0.6
232.03543	0.2
235.02467	0.2
244.03729	0.2
245.04453	4.3
255.02917	0.5
257.04468	0.2
263.05374	0.5
273.03897	4.0
274.04587	0.2
290.04202	1.2
291.04913	0.2
301.03406	1.0
302.03970	0.2
303.04959	8.5
304.05197	0.2
319.04453	100.0
320.04742	2.4
413.71069	0.2
465.10297	1.4
481.09641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1546
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03926	0.4
55.01857	0.5
55.75679	0.3
56.46506	0.3
57.03434	2.2
61.02917	2.5
68.99767	0.4
69.03422	2.4
69.60716	2.3
69.61128	0.7
70.06569	1.0
71.01337	0.4
71.04601	0.7
71.04979	11.1
72.08131	1.1
73.02893	1.0
80.41888	0.3
81.03393	1.6
83.04961	0.6
84.04498	0.4
84.08121	0.7
85.02890	20.1
86.06025	0.4
86.09686	1.6
87.04440	0.7
91.03934	0.9
91.05482	0.6
97.02876	3.6
98.20725	0.6
99.04416	0.6
101.36172	0.3
102.05492	0.5
107.04937	0.6
109.02856	1.7
110.07150	1.7
111.00780	2.0
111.04424	0.6
114.09134	0.6
121.02830	0.5
127.03883	2.1
128.50322	0.3
129.05460	3.3
130.08604	0.4
135.04324	0.4
136.03862	0.3
137.02324	2.4
137.05951	0.4
145.02847	0.5
145.04967	1.7
147.04388	0.7
147.06485	1.1
151.03897	0.5
153.01799	7.5
161.05981	0.3
163.03868	1.0
163.05981	0.4
165.01791	3.4
166.02504	0.4
167.07016	0.4
177.05414	0.9
179.03383	1.1
181.08548	2.9
182.08896	1.6
183.02831	1.1
184.07312	1.4
185.07635	0.4
185.09196	0.4
189.05367	0.5
195.02788	0.5
201.05391	0.5
201.08678	0.5
217.04941	2.2
227.03429	0.4
229.04988	1.3
235.05949	0.4
245.04420	3.4
255.02852	0.5
257.04456	0.7
263.05307	0.4
267.10495	0.4
268.11038	0.4
273.03934	3.3
274.04587	0.4
290.04190	1.2
301.03354	0.9
303.04944	26.0
304.05234	0.6
319.04428	100.0
320.04639	2.3
412.78418	0.3
465.10214	1.5
481.09711	0.8
626.84473	0.4
627.25134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01859	0.6
57.02087	0.3
57.03410	0.5
61.02902	0.5
67.05518	0.3
69.03424	3.8
69.68497	1.4
69.68909	0.9
70.06583	0.6
71.04979	0.5
73.02924	0.5
79.05482	0.8
81.03418	2.2
81.07053	0.6
85.02901	5.7
86.09685	0.6
87.00821	1.9
87.04446	0.6
91.03937	0.4
91.05468	2.5
93.07022	0.7
94.04167	0.6
95.04942	1.3
96.08178	0.3
97.02872	3.1
99.04461	1.6
103.05450	6.3
105.01841	0.9
105.07000	1.1
107.04929	1.7
107.08550	0.5
107.23721	0.3
109.02891	1.5
109.06490	0.7
110.05997	0.5
112.40226	0.3
114.09161	1.0
115.03963	0.3
115.05426	0.9
117.01836	0.3
117.07008	2.4
119.04941	1.9
120.08108	0.5
121.06497	1.2
122.03640	1.5
123.08047	1.0
125.05980	0.3
127.03909	5.0
128.06226	0.4
129.07005	0.7
130.08673	0.4
131.04916	16.1
131.08569	0.5
133.06523	0.7
135.04390	0.6
135.08046	1.1
137.05962	26.0
138.06313	0.6
143.08517	0.9
145.02853	0.9
145.04922	2.0
145.06439	0.7
145.10110	0.4
146.03629	0.4
147.04379	1.1
147.07982	0.3
148.07642	0.3
149.05942	1.3
149.09566	0.3
151.03813	0.5
151.07524	12.5
157.06487	0.6
157.10110	0.3
158.07347	0.3
159.02762	0.4
161.05952	2.5
161.09576	0.3
162.06731	2.0
163.03925	2.5
163.07524	42.5
164.07805	0.5
165.05373	0.3
165.09082	0.5
167.07071	0.5
167.08577	0.7
171.08005	1.2
174.06723	0.5
175.03838	0.5
175.07535	3.7
177.09090	100.0
178.09457	1.8
181.08582	0.5
181.10072	0.3
184.07343	0.9
189.07474	0.4
189.09103	3.3
195.08043	1.4
195.10149	2.5
196.10287	0.3
200.41658	0.4
201.05490	0.3
201.09149	0.4
203.10628	1.1
207.06462	0.4
207.10147	0.5
209.05956	0.3
209.09758	0.4
210.06717	0.3
219.10144	1.2
221.05954	0.9
221.09724	1.2
221.11697	24.3
221.45299	0.3
222.12149	0.6
223.07550	0.5
225.09094	0.7
227.10660	2.6
235.07448	0.5
249.05998	0.7
249.08965	0.7
250.06192	0.4
253.08453	1.3
253.12213	1.3
255.10144	1.8
265.08554	1.2
267.10184	1.0
269.08072	0.5
269.11621	0.3
272.10507	0.3
281.11731	0.7
284.10422	0.4
285.11182	1.8
287.12671	3.9
293.11728	0.5
297.11081	0.8
299.12698	1.5
311.12811	2.6
313.14297	4.0
327.15997	0.4
331.15363	16.3
332.15799	0.7
343.15341	3.5
345.17188	0.4
363.41965	0.3
394.20166	0.4
396.35339	0.3
417.15366	0.8
477.85715	0.4
626.24884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
53.78016	0.1
55.01862	0.4
55.37313	0.1
57.03426	0.7
57.20876	0.1
59.04988	0.1
61.02919	1.1
65.03925	0.2
68.99769	0.4
69.03419	2.2
70.06571	0.1
71.04972	0.2
71.78567	0.1
73.02885	0.4
73.13511	0.1
74.29453	0.1
81.03406	1.3
83.01339	0.1
85.02891	6.8
85.63403	0.1
87.04443	0.3
91.03956	0.4
93.03374	0.2
93.92455	0.1
95.04945	0.2
97.02880	2.4
99.04443	0.4
107.04905	0.1
109.02846	1.0
110.41051	0.1
111.00786	0.8
111.04421	0.1
119.61094	0.1
121.02851	0.7
123.04404	0.2
127.03889	1.6
130.08598	0.1
135.04405	0.2
137.02316	2.8
137.05962	0.1
138.02676	0.1
139.35385	0.1
139.51443	0.1
145.02888	0.1
145.04941	1.2
147.04413	0.1
149.02332	0.3
151.03889	0.1
153.01804	2.6
153.03047	0.2
155.04869	0.1
161.05984	0.3
163.03882	0.6
165.01817	1.8
166.02567	0.2
173.05974	0.3
179.03256	0.1
183.02867	0.7
183.04308	0.1
187.03882	0.2
191.03517	0.1
195.02853	0.3
201.05455	1.2
205.05037	0.1
211.04018	0.1
213.05518	0.2
215.03400	0.1
219.02864	0.1
219.06557	0.3
228.04015	0.1
229.04916	3.7
246.05191	0.1
247.06032	0.8
257.04407	2.3
274.04688	0.6
275.05356	0.2
285.03906	1.4
302.04218	0.1
303.04938	100.0
304.05270	3.4
315.04755	0.1
319.91367	0.1
345.05951	0.2
465.10236	10.0
466.10709	0.5
470.20444	0.1
496.64066	0.1
538.83514	0.1
544.99896	0.1
627.21759	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.7
53.03937	5.6
55.01861	10.6
55.05503	23.2
57.03428	7.6
57.07071	4.3
65.03941	3.0
67.05495	62.4
69.03412	4.0
69.07056	46.0
71.04997	2.7
79.05480	54.6
81.03410	5.8
81.07042	58.3
83.04977	9.8
83.08592	13.0
85.06524	2.5
91.05466	43.4
93.07029	57.9
95.01311	2.7
95.04951	33.6
95.08582	42.1
97.02856	3.9
97.06516	15.1
97.10157	4.5
97.48502	1.6
99.08085	3.1
105.07007	42.2
107.04929	11.9
107.08573	24.6
107.15371	1.8
109.06502	10.9
109.10147	17.1
111.08029	2.9
115.05481	2.3
117.06992	13.3
119.08568	32.4
121.06497	4.8
121.10125	18.8
123.08052	6.1
123.11716	3.6
125.09615	3.9
128.06232	4.9
129.06183	1.6
129.06963	9.7
131.08543	25.7
133.06465	3.2
133.10121	21.3
135.08012	9.1
135.11696	13.5
137.09616	3.8
137.13284	2.1
141.07022	2.4
143.08524	11.8
145.10098	18.6
147.08038	4.9
147.11679	16.8
149.09602	5.3
149.13258	6.6
151.11221	2.7
155.08543	5.8
157.10092	9.9
159.11676	15.1
161.09543	3.9
161.13289	7.6
163.11217	3.1
169.10103	9.3
171.11694	7.2
173.11836	2.6
173.13280	8.6
175.11166	1.7
175.14812	3.5
177.12762	2.3
179.14316	2.7
181.10129	3.4
183.11702	6.6
185.13274	7.2
187.14813	4.9
189.11142	2.0
191.59616	1.8
195.11778	4.0
195.13736	3.4
197.13222	4.0
199.14885	3.4
207.11536	1.9
209.13268	2.1
211.12836	1.7
211.14832	2.6
213.16391	2.4
215.17986	3.7
223.13156	4.4
229.19569	2.8
237.16386	3.4
239.18011	2.1
241.19569	6.9
255.17491	2.5
257.18964	3.2
259.20529	7.0
273.18420	25.4
275.20056	15.0
277.21759	2.2
286.19598	1.9
291.19495	49.2
313.21561	2.0
313.27466	2.2
316.64627	1.8
333.24332	8.6
335.25858	7.4
347.22012	9.2
349.23615	9.9
365.23132	1.8
435.32156	1.8
437.34192	4.1
511.37961	4.2
513.35876	4.8
515.38934	2.9
527.37695	2.8
528.69653	2.2
533.40076	4.8
607.43530	31.0
625.29315	21.1
625.44574	100.0
626.44818	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01865	5.5
55.05500	22.9
57.03426	2.8
57.07063	3.2
59.04992	0.9
63.02380	0.6
65.03928	1.7
67.05492	38.1
69.03412	3.3
69.07056	17.6
71.04971	2.8
71.08630	2.9
77.03908	1.0
79.05480	29.7
80.06252	0.6
81.02982	0.5
81.03394	2.6
81.07041	31.1
82.07408	0.6
83.04972	3.9
83.08602	13.2
85.06527	2.0
85.10152	0.7
91.05463	25.5
93.07028	28.9
95.04949	5.7
95.08591	20.7
97.02878	1.6
97.06504	2.2
97.10151	15.5
98.20658	1.4
99.08082	2.2
103.05444	1.1
105.04531	0.6
105.06313	1.2
105.07015	20.9
106.07416	0.8
107.04924	3.7
107.08578	17.4
109.06504	2.9
109.10138	12.7
111.08073	2.6
115.05455	2.3
117.07005	15.1
119.08562	16.3
121.06477	2.1
121.10117	7.7
123.08046	1.8
123.11665	2.8
125.09605	11.3
127.07494	0.7
128.06151	2.7
129.06976	12.0
130.07779	1.3
131.08542	17.8
133.06485	1.3
133.10109	10.1
133.11108	0.6
135.08028	3.1
135.11650	5.7
137.09570	1.8
137.13213	1.0
140.88762	0.6
141.06982	4.6
142.07793	1.7
143.08534	14.8
144.09372	0.8
145.06487	1.1
145.10098	11.5
146.10487	0.7
147.08006	1.8
147.11667	5.9
149.09584	2.1
149.13251	2.8
151.11165	1.6
153.06964	1.0
153.09068	1.1
153.12741	1.0
154.07780	1.1
155.08537	8.4
156.09308	1.3
157.06477	0.8
157.10081	10.7
159.08026	1.6
159.11647	8.3
161.09590	1.3
161.13205	4.4
163.11136	1.6
163.14771	0.7
165.06987	1.2
165.12698	0.6
167.08565	2.9
168.09290	1.2
169.10077	8.2
169.11243	0.8
170.10892	0.7
171.07930	0.7
171.10199	1.1
171.11653	10.0
173.09622	1.0
173.11809	1.2
173.13173	5.5
175.11154	1.5
175.14847	2.4
177.12805	1.4
178.08646	0.7
179.08571	1.5
181.10062	3.3
182.10938	0.8
183.11679	5.9
185.09709	0.9
185.11850	0.8
185.13245	6.2
187.11121	1.1
187.14818	2.8
189.11229	7.1
189.12735	0.9
193.10161	1.6
195.11685	4.3
196.12495	0.6
197.13239	5.7
199.11118	0.9
199.14799	4.8
201.16399	1.6
203.10925	0.6
203.17990	0.6
205.15819	0.6
207.11711	1.3
209.13275	3.4
211.14798	4.3
213.12842	1.1
213.16420	3.0
215.17920	2.2
219.11526	0.6
221.13213	1.2
223.13223	1.7
223.14873	1.9
225.16360	2.5
227.12695	10.5
227.17989	1.8
229.19481	1.8
235.14738	1.1
237.16322	1.4
239.17957	1.7
241.19505	4.5
243.21112	1.7
245.18939	1.0
251.17885	1.2
253.19359	1.1
255.17465	1.2
255.21083	2.3
257.18933	1.5
259.14841	0.8
259.20566	1.8
261.21967	1.3
265.19339	0.9
267.21021	1.1
269.22543	1.5
271.17017	1.1
271.20569	0.9
273.18515	2.6
273.21896	0.7
275.20087	2.6
277.21793	1.2
281.22589	0.9
283.20468	0.8
285.22229	1.0
287.23724	0.7
291.19473	10.2
293.20996	3.5
297.21973	1.0
299.23627	1.0
301.25302	1.0
313.21484	0.7
315.23013	1.2
317.24780	1.9
325.25513	0.7
329.24872	0.8
335.26053	1.1
363.30231	0.9
365.23267	1.9
365.28311	1.4
379.29947	1.5
381.31454	7.5
383.29541	1.4
397.31107	0.7
405.20831	1.2
409.30869	0.7
420.22623	0.7
421.30972	0.8
435.32666	1.0
437.34158	1.0
449.19556	1.2
451.31424	0.8
453.33362	0.9
463.31961	1.0
464.22485	0.7
465.22665	2.0
478.22998	0.7
479.24448	4.0
480.24631	0.8
493.25854	1.4
497.38037	0.7
513.35889	1.3
515.38922	2.8
525.35815	5.4
527.37457	3.7
533.24445	0.6
533.39752	5.0
537.25378	0.8
547.25879	3.2
551.41302	4.3
552.27008	1.6
555.37195	0.7
556.37445	1.3
565.27484	3.2
569.41815	1.3
589.42413	0.9
607.28546	1.0
607.43469	16.9
608.43390	1.2
625.29517	23.6
625.44354	100.0
626.30219	4.1
626.44904	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19555	1.0
51.02385	1.2
53.03930	4.0
55.01863	18.4
55.05500	26.6
57.03422	7.9
57.07060	4.7
62.55317	1.1
65.03933	3.9
67.05495	55.7
69.03428	1.9
69.07055	49.2
71.04976	4.3
71.74968	1.0
73.06538	1.1
77.03898	1.2
79.05479	44.1
80.05827	1.2
81.03407	4.9
81.07045	64.4
82.07367	1.3
83.04975	7.6
83.08605	14.4
85.06533	4.2
85.51114	1.0
85.58013	1.1
91.05466	49.4
93.07030	46.8
95.01312	1.3
95.04952	10.3
95.08588	40.9
97.06516	21.0
97.10149	6.2
98.20674	3.5
99.08074	3.6
101.05986	1.2
105.07013	53.9
107.04928	8.3
107.08571	29.0
109.05858	1.5
109.06512	9.6
109.10131	18.3
111.04416	1.1
111.08071	3.6
113.09660	1.3
115.05437	2.9
116.39841	1.2
117.07004	19.7
119.08556	37.5
121.06514	4.2
121.10128	20.3
123.08042	5.4
123.11696	4.6
125.09625	4.4
128.06232	3.1
129.06989	15.5
131.08546	32.6
133.06543	2.6
133.10109	31.0
134.10388	1.4
135.07994	2.8
135.11655	13.2
135.12480	1.2
137.09637	4.0
139.11159	2.0
141.06982	5.3
142.07794	4.4
143.08525	18.8
145.06464	2.1
145.10098	27.3
147.08057	3.3
147.11687	18.1
149.09599	7.8
149.13208	6.1
151.11177	4.5
153.07071	1.9
155.08533	11.6
156.09348	1.4
157.10103	21.0
159.08052	3.9
159.11670	22.4
160.44537	1.1
161.09645	3.4
161.13217	12.1
163.11215	4.3
163.14839	1.6
165.07076	1.9
165.09047	1.2
165.12762	2.0
167.08528	6.2
168.09306	1.5
169.10120	14.6
171.10239	1.5
171.11658	19.3
173.09656	1.9
173.13205	13.6
175.11226	2.9
175.14868	6.1
177.12761	3.8
179.08521	1.9
179.14362	3.7
181.10088	9.0
183.11650	13.0
185.13229	14.4
187.11176	4.8
187.14790	6.9
189.12762	2.9
189.16370	1.4
193.10088	2.5
193.12155	2.1
195.11708	7.4
197.13260	10.9
198.13667	1.2
199.11169	2.0
199.14816	8.6
201.12814	2.3
201.16354	2.6
203.14328	1.9
205.15971	1.4
207.11723	3.7
209.13234	5.8
210.13411	1.0
211.14816	6.6
213.12741	2.3
213.16440	3.9
215.17928	2.8
217.15829	1.9
221.13289	2.7
223.14835	5.0
225.16408	4.3
227.17929	1.4
229.19476	1.4
229.97749	1.8
231.21025	2.1
235.14857	2.1
237.16394	4.3
239.17995	4.4
239.71262	1.3
241.19463	9.3
243.20888	2.1
245.18983	1.8
247.20633	1.6
249.16348	1.4
251.18115	1.3
257.19095	5.7
259.20551	13.0
261.22192	2.7
263.17810	1.7
263.20190	1.6
265.19418	2.4
267.21173	1.5
271.20490	1.6
273.18481	3.6
275.20004	22.4
276.20459	2.2
277.21735	2.6
279.20956	1.3
283.20499	1.3
285.18640	1.3
285.22195	1.6
289.21664	3.5
291.19473	3.1
293.21176	2.0
295.20670	1.4
297.22134	1.7
299.23746	1.9
301.21851	1.3
313.21832	1.5
315.23099	5.4
325.21616	1.3
327.23145	1.4
331.22754	2.2
333.24237	11.1
347.22330	1.7
349.23712	17.1
351.25955	1.3
363.26794	1.3
367.25519	1.6
377.28299	1.3
381.28033	1.5
393.27676	1.7
409.30762	1.2
421.31451	1.7
435.32840	4.9
437.34189	7.6
441.50586	1.3
463.31314	2.0
501.35568	1.6
511.38153	6.1
513.35419	7.1
514.37000	1.2
515.38873	5.1
527.37347	7.7
529.38660	3.5
533.39801	9.9
541.34729	1.6
551.41394	6.4
555.36920	1.4
556.37714	1.7
588.26379	1.2
589.42664	2.7
597.44855	1.8
607.33643	2.4
607.43530	50.8
608.43860	5.1
625.26355	4.4
625.44519	100.0
626.27618	1.6
626.45062	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
51.02378	0.8
53.03935	2.3
55.01866	7.1
55.05503	23.1
57.03428	5.2
57.07060	2.7
59.04994	1.5
65.03928	2.0
66.54488	0.6
67.05493	41.8
68.05797	0.8
69.03423	2.1
69.07055	19.8
69.59115	1.7
69.59529	4.3
71.04981	5.1
71.08622	0.6
79.05011	1.3
79.05480	28.0
80.06273	0.8
81.03407	2.2
81.07045	39.1
82.07397	0.9
83.04961	3.6
83.08607	13.2
83.09068	1.2
85.02887	0.8
85.06522	1.7
86.09721	1.4
91.05463	27.4
93.07030	29.5
95.04958	5.0
95.08595	25.5
95.97756	0.6
97.06521	8.2
97.10150	11.1
99.08099	0.9
103.05475	1.1
105.07014	22.8
107.04949	2.9
107.08579	19.0
109.06525	3.1
109.10138	15.3
111.04428	0.9
111.08073	2.7
113.09606	0.7
115.05466	2.1
117.07009	11.9
117.07788	1.2
119.04972	0.8
119.08565	20.0
121.06483	1.9
121.10129	11.5
123.08075	2.1
123.11688	9.0
125.09605	7.1
128.06207	3.0
129.06984	15.1
130.07771	1.1
131.08543	19.4
133.06458	0.8
133.10100	19.0
135.08052	2.6
135.11668	6.8
137.09608	1.4
139.11163	1.4
140.14371	0.9
141.06975	7.3
142.07741	3.6
143.08546	18.6
143.09615	1.4
144.09317	1.0
145.06543	1.0
145.10103	18.9
147.08043	1.6
147.11670	9.9
149.09616	3.7
149.13264	3.8
151.11198	0.8
153.06958	1.9
153.09093	0.7
154.07698	1.4
155.08549	11.9
156.09322	2.6
157.10114	15.8
158.10947	0.8
159.08090	1.0
159.11668	13.9
161.09613	1.4
161.13228	6.5
163.11198	2.6
163.14786	1.0
165.06985	1.0
166.07722	1.1
167.08554	4.8
168.09314	1.9
169.10106	14.7
170.10802	1.6
171.08229	0.7
171.10233	1.1
171.11650	14.9
172.12352	0.8
173.09692	0.8
173.11832	1.2
173.13211	8.1
175.11229	0.9
175.14796	4.0
177.12773	1.2
179.08607	1.9
179.14301	1.3
180.09311	1.2
181.10106	6.5
182.10909	1.6
183.11671	15.3
184.12436	1.1
185.13231	12.1
187.11241	1.1
187.13251	2.5
187.14859	5.1
189.11258	3.3
189.12794	1.3
189.16354	1.1
193.10136	3.4
194.10783	0.8
195.11667	7.4
197.13254	12.6
197.15120	1.1
198.13969	0.8
199.14752	7.2
201.12733	1.5
201.16389	3.4
201.84807	0.8
203.14320	0.8
203.17911	0.9
205.10193	1.3
207.11664	3.4
209.13260	7.0
210.14166	0.8
211.14804	7.9
213.12877	1.0
213.16382	5.6
215.14337	1.1
215.17947	1.3
219.11818	1.6
221.13248	3.9
223.14908	4.5
225.12816	1.0
225.16330	5.0
227.12622	4.6
227.18037	2.2
229.14233	1.0
229.19577	1.1
233.13235	0.9
235.14795	3.3
237.16397	3.0
239.17960	4.2
241.19438	3.5
243.15834	3.4
243.21060	0.8
245.13206	1.1
249.16351	1.9
251.18004	2.3
253.19534	2.4
255.21150	1.4
257.19070	3.0
259.20554	4.1
263.17871	2.2
265.19443	1.9
267.21066	1.4
273.18747	1.1
275.20154	6.4
277.19330	0.9
279.21036	1.1
283.20688	1.1
285.21841	1.3
291.19672	1.5
295.20480	0.7
297.22165	1.8
299.20212	0.8
307.20300	0.8
309.22028	1.0
311.20126	1.1
311.23621	1.0
313.21512	1.4
315.23160	1.4
323.23627	1.4
327.23175	0.9
333.24210	2.8
337.25302	1.1
339.23401	0.8
341.24719	0.9
347.23132	0.7
349.23801	3.7
353.24466	0.8
355.26239	0.9
363.26688	1.8
365.24484	0.8
365.28384	5.6
367.26022	1.1
375.26688	1.0
379.30243	1.2
381.27505	1.3
381.31635	3.0
383.29492	2.8
395.29370	1.2
403.29541	1.2
421.31061	2.8
435.32468	0.9
439.32492	3.2
453.33328	1.1
483.34613	1.0
495.34839	1.4
505.40598	0.9
513.35663	15.5
514.36127	0.9
515.38843	6.4
527.37488	2.2
533.39850	8.3
543.36078	0.8
551.41199	6.1
553.39996	0.9
555.37433	0.8
571.41589	1.4
589.42548	1.9
607.43488	43.8
608.43982	2.9
625.44543	100.0
626.45074	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01852	3.3
55.05272	0.9
55.05506	13.1
57.03420	4.9
57.07053	1.6
59.04985	1.2
61.00074	0.8
61.02908	1.1
65.03924	2.0
67.05495	35.6
68.05804	0.8
69.03416	3.1
69.06730	1.1
69.07059	15.5
69.61318	7.6
71.04981	5.2
71.08595	1.1
73.02926	0.8
78.41841	0.9
79.05481	28.1
81.03393	5.8
81.07041	37.6
83.04973	4.3
83.08602	7.3
85.02887	2.9
85.06522	3.1
87.70414	0.8
91.04908	1.8
91.05466	34.1
93.07028	29.6
94.07334	1.0
95.04961	4.7
95.07985	1.5
95.08591	23.2
97.02877	1.6
97.06522	5.4
97.10143	4.2
97.38903	0.8
98.01275	0.8
98.21453	0.8
99.08074	1.0
103.05420	2.1
105.07013	33.1
107.04937	3.0
107.08580	16.7
107.09297	0.8
109.02826	1.3
109.06481	3.9
109.09365	1.1
109.10135	12.0
111.08026	2.5
115.05444	2.3
117.06998	15.4
119.08562	20.1
121.06470	3.9
121.10115	12.5
123.08040	2.0
123.11671	3.6
125.09602	2.3
127.03907	0.8
128.06195	2.5
129.06987	11.4
130.07672	0.9
131.08551	28.3
133.06436	2.7
133.10103	16.0
135.07999	1.9
135.11685	8.1
137.09554	1.8
141.06979	4.8
142.07724	1.9
143.08537	12.9
145.06451	2.6
145.10098	18.9
147.08057	3.6
147.11690	5.8
149.09586	2.9
149.13243	2.1
151.11125	1.1
153.06972	1.0
155.08556	7.1
157.10120	10.8
159.08080	1.9
159.11688	10.9
161.09616	2.6
161.13246	3.5
163.11168	2.8
163.14752	1.1
165.06938	1.0
167.08517	2.7
169.10104	8.2
171.08109	1.0
171.11661	8.1
172.12225	0.8
173.04398	1.0
173.09619	1.7
173.11890	1.0
173.13182	4.3
175.11172	1.0
175.14813	1.0
177.12735	1.5
179.08472	1.4
181.10097	4.8
181.12061	0.9
182.10814	0.9
183.11716	5.8
185.09613	2.1
185.13205	6.3
187.14778	2.5
189.11203	1.2
189.12732	1.1
193.10103	1.1
195.11711	3.3
195.13739	1.1
197.13263	4.6
199.14769	2.5
201.12741	1.2
201.16307	1.5
207.11597	0.9
209.13176	3.0
211.14723	3.7
213.12749	1.2
213.16422	1.9
215.14304	1.2
221.13223	1.2
223.14812	2.4
225.16377	2.5
227.12570	1.3
233.15381	1.0
235.14737	1.0
239.17882	1.6
241.15726	1.2
241.19501	0.8
247.16878	1.3
253.19321	0.9
255.69301	0.9
257.15231	1.0
259.16934	1.0
273.18536	1.0
275.19998	3.4
276.20407	0.9
325.21930	1.0
325.25305	2.7
335.23569	3.4
343.26361	4.4
349.23578	1.3
353.03812	0.8
353.24640	11.5
365.28320	1.7
371.25729	13.1
385.86374	0.8
389.26782	13.0
423.27454	1.8
427.28305	2.0
437.28967	0.9
445.29440	100.0
446.29776	4.8
463.30518	50.8
464.30798	2.1
513.35498	1.8
527.36945	1.4
533.39923	2.2
551.40613	1.8
586.52704	0.9
593.32690	1.5
607.34784	1.5
607.43481	10.0
625.35400	2.6
625.44586	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01865	31.5
55.05503	28.6
55.05776	1.0
57.03428	10.9
57.07063	4.3
58.97466	1.0
59.05017	1.3
65.03925	4.1
67.05495	59.6
68.05830	1.0
69.03412	2.2
69.07058	69.9
69.88850	4.2
69.89254	2.3
71.04992	2.8
71.08622	2.6
79.05482	48.6
81.03410	7.9
81.07044	66.4
82.07376	1.1
83.04979	7.5
83.08606	13.7
85.06539	5.4
91.05469	60.6
91.28262	1.0
93.07030	48.4
95.01331	3.5
95.04951	13.1
95.08591	39.6
97.06514	35.1
97.10146	6.7
99.08092	3.9
103.05450	1.9
103.13918	1.1
104.95788	1.0
105.07017	71.1
106.07352	1.4
107.04945	16.0
107.08578	29.8
109.06506	7.5
109.10132	18.0
111.04463	1.8
111.08106	3.6
111.11672	1.1
113.09628	2.4
115.05428	2.7
117.07002	22.2
117.07775	1.9
119.07710	2.4
119.08567	49.5
121.06524	3.9
121.10130	17.5
122.42098	1.1
123.04428	1.5
123.08044	5.7
123.11710	3.8
125.09631	7.0
128.06229	3.8
129.05511	1.3
129.06987	17.8
130.07771	1.4
131.08554	39.0
133.06438	1.9
133.10109	41.3
134.10469	1.1
135.08049	4.8
135.11682	13.7
137.09608	3.1
137.13214	1.6
139.07585	1.3
139.11179	2.8
141.06963	5.6
142.07774	3.1
143.08549	23.7
143.09618	2.1
144.09335	1.4
145.06476	3.6
145.10109	35.0
147.08026	3.7
147.11665	32.2
149.09627	9.1
149.13222	6.0
151.11241	2.8
154.07648	2.0
155.08524	12.6
156.09346	3.1
157.10114	23.5
159.08051	2.8
159.11674	26.4
159.12929	1.8
161.09607	2.3
161.13239	19.6
163.11169	4.7
163.14870	2.8
165.09102	2.1
165.12790	1.7
167.08556	4.6
169.10103	14.1
170.37383	1.2
171.07967	1.2
171.10237	1.8
171.11642	19.5
173.09575	1.5
173.13235	17.5
175.11195	3.5
175.14822	10.6
177.12700	5.1
179.08620	1.8
179.14287	7.0
181.10098	6.7
182.10870	1.2
183.11674	16.1
185.09650	2.4
185.13228	14.3
187.11140	5.6
187.14787	7.5
189.12712	2.6
189.16322	2.4
193.10184	1.6
194.10786	1.4
195.11641	11.2
195.13040	1.1
196.12413	1.5
197.13211	9.2
199.11261	1.7
199.14767	9.5
201.16397	2.3
207.11716	4.8
209.13248	6.3
211.14793	5.8
213.12823	2.0
213.16396	5.3
215.14453	1.2
215.18025	2.8
217.16017	1.3
221.13275	3.4
223.14885	6.4
225.16486	3.8
227.14412	1.5
229.19574	1.4
231.17422	1.4
231.21193	2.8
235.14911	3.0
237.16362	3.3
239.17856	5.8
241.19495	17.2
241.21584	1.7
243.20963	2.2
245.19040	1.5
249.16469	1.8
251.18047	2.4
257.18903	9.2
259.20563	24.0
260.20975	1.4
263.18011	1.8
265.19507	1.4
273.18518	5.8
275.20053	42.3
276.20541	1.7
277.21719	3.3
278.49847	1.1
279.16046	2.0
283.20621	1.3
285.22119	2.0
291.19711	4.1
293.21213	4.5
311.23743	2.2
313.21506	2.4
315.23190	6.0
321.22183	1.7
323.23965	1.9
325.25339	2.0
331.22687	2.7
333.24194	28.1
335.26318	1.2
337.25201	1.3
339.23203	1.7
341.24838	2.2
347.22308	2.0
349.23697	32.3
350.24289	1.4
353.24533	1.1
363.26508	1.5
375.27090	1.2
393.27927	1.5
417.31628	2.6
419.33224	3.2
421.30914	2.5
435.32523	6.2
437.34198	13.7
439.32480	1.2
453.34317	1.7
459.31577	1.2
463.32382	1.8
483.34756	2.6
493.36893	2.4
495.34827	2.2
501.35721	3.8
505.40625	1.6
509.36023	3.1
511.37692	12.2
513.35876	8.2
515.38812	4.4
527.37195	8.3
528.38116	1.5
529.39282	7.4
533.39734	9.2
537.35809	2.3
551.40515	6.7
555.36639	2.9
556.37274	3.4
589.42432	2.2
597.45300	2.6
607.43475	63.3
608.44238	6.7
625.28442	3.0
625.44550	100.0
626.44946	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	625.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01852	2.1
55.05507	8.7
57.03418	3.0
57.07065	1.2
61.02917	0.8
65.03910	1.3
67.05493	23.5
69.03409	2.8
69.07060	8.2
71.04969	3.0
73.02887	0.8
76.02338	0.6
79.05478	16.5
79.96572	0.6
81.03417	3.8
81.07045	22.2
83.00602	0.6
83.04971	3.3
83.08604	3.6
84.26948	0.6
85.02895	2.4
85.06545	1.0
91.03947	0.8
91.04909	1.3
91.05463	21.9
93.07025	19.5
95.04939	3.6
95.08585	13.3
97.02895	1.6
97.06516	2.8
97.10139	2.2
99.08083	0.9
105.07008	23.4
105.75971	0.7
106.07323	1.0
107.04936	2.8
107.08567	11.8
108.08158	0.7
108.08887	1.1
109.02879	0.9
109.06490	3.3
109.10133	7.7
111.04377	1.1
111.08070	1.8
115.05434	1.3
117.07002	9.4
117.32851	0.6
119.08565	15.6
121.06470	3.2
121.10117	7.9
121.78536	0.6
123.08086	1.5
123.11703	1.1
125.09615	1.6
128.06198	1.5
129.06992	7.7
129.07869	1.1
131.08542	19.1
133.06464	1.4
133.10094	9.7
135.08025	2.6
135.11674	4.2
137.09613	1.5
141.06975	2.9
142.07753	0.8
143.08537	8.0
145.06459	2.0
145.10107	13.5
146.10333	0.7
147.08041	2.1
147.11653	3.7
149.09601	3.2
149.13211	1.4
155.08530	3.1
157.10103	5.3
159.08070	1.2
159.11696	5.7
161.09642	1.6
161.13235	1.7
163.11154	1.4
167.08563	2.0
169.10086	3.9
171.11621	4.8
173.09688	1.1
173.13266	2.6
175.11191	0.7
175.14859	0.7
177.12750	1.1
177.16356	0.7
181.10085	2.2
183.11681	2.6
185.09540	1.1
185.13277	3.2
187.11185	1.0
187.14803	1.6
192.48816	0.7
195.11681	3.0
197.13226	2.9
199.14839	1.5
201.12840	0.9
201.16397	1.1
209.13202	1.6
211.14790	2.1
213.16394	1.1
215.29396	0.7
223.14937	1.0
233.15353	0.9
241.15988	0.8
243.17421	0.8
247.16902	1.4
259.17084	1.0
261.18585	1.5
269.17422	2.1
273.18442	0.8
275.20038	1.2
293.21643	0.7
325.25421	1.7
335.23557	2.0
343.26349	2.0
353.24780	7.9
361.27570	0.9
371.25797	8.1
389.26782	8.7
417.29535	0.7
427.28262	1.0
445.29434	100.0
446.29691	8.2
463.30505	26.9
464.31430	1.5
527.37512	3.8
538.16138	0.7
548.39758	0.9
569.07379	0.7
591.97430	0.7
607.34344	1.6
625.35059	2.1
625.44299	1.5
630.78064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	23.8
57.03425	9.8
57.07068	48.0
67.05497	41.8
69.07050	23.0
71.08606	21.2
71.14156	20.4
79.05466	39.5
81.07043	54.3
83.08580	16.0
85.10147	15.7
90.08304	6.6
91.05460	44.9
93.07010	41.1
95.04958	7.0
95.08573	43.0
105.06979	47.2
107.08572	24.4
109.10110	17.8
117.06969	11.8
119.08525	35.0
119.11896	6.5
121.10123	18.2
121.40598	8.2
131.08553	21.3
133.10095	39.2
135.11649	21.8
145.10117	16.4
147.11647	28.4
149.13242	15.9
159.11684	10.4
161.13216	30.2
171.11647	12.8
173.13173	11.5
175.14832	11.0
178.49387	7.7
190.30542	6.8
219.06635	6.8
231.21016	11.3
241.19484	35.0
259.20496	100.0
288.36087	6.8
313.27271	95.2
333.24170	65.6
432.36526	7.3
440.70093	7.7
571.46930	18.6
589.47644	11.8
624.62372	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	625.1755
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03912	0.3
55.01846	0.2
55.05503	0.6
57.03429	1.7
57.66183	0.1
60.04509	0.3
61.02920	1.3
69.03422	0.8
70.06582	2.9
70.25938	0.4
70.26356	0.4
71.04985	11.0
73.02898	0.6
75.04458	0.3
81.03390	0.6
83.04959	0.6
83.08597	0.3
84.08144	0.2
85.02895	15.1
86.03239	0.1
86.09696	0.2
87.04437	0.4
91.03949	0.7
91.05445	0.3
91.43887	0.2
92.02611	0.4
93.03398	0.5
95.04935	0.2
97.02872	1.5
98.21043	0.3
99.04436	0.2
100.07588	0.2
100.11243	0.8
105.03369	0.2
105.06944	0.2
106.26083	0.1
107.04906	0.2
109.02848	0.5
111.00797	0.2
111.04446	0.9
112.07565	0.2
114.09113	0.2
116.76607	0.2
117.03418	0.2
118.06503	0.4
118.95706	0.1
119.04919	0.2
119.76666	0.1
120.08070	0.4
121.02847	0.8
121.10168	0.2
123.04389	0.2
126.03094	0.2
127.03922	0.8
127.04697	0.2
128.07063	0.4
129.05458	3.8
130.08675	0.2
133.10030	0.2
135.11746	0.2
136.07553	0.4
137.02240	0.2
137.05945	0.4
137.06999	0.3
139.03877	0.6
140.07040	0.3
145.02811	0.5
145.04955	0.7
146.05984	0.9
147.04367	0.4
147.06520	1.1
149.05966	0.2
151.03880	0.8
151.07497	0.2
153.01805	4.6
157.09749	0.4
163.03853	0.3
165.01773	0.4
177.05469	1.1
178.05806	0.2
182.15355	1.0
185.09189	0.2
189.05220	0.2
201.05508	0.5
207.77232	0.1
209.16513	0.2
210.14877	1.4
217.04858	0.3
218.05707	0.4
219.02820	0.2
219.10138	0.4
228.04126	0.5
229.04971	1.9
231.02759	0.2
245.04410	0.7
246.05211	0.9
256.03821	0.2
257.04422	1.7
260.03265	0.2
261.07666	0.2
268.14301	0.2
271.05920	0.3
273.03940	1.3
274.04730	3.3
284.03067	0.3
285.03897	3.3
286.04559	0.2
286.15393	0.2
288.06250	0.2
299.05637	0.2
300.13287	0.2
301.03482	0.2
302.04175	9.7
303.04471	0.3
317.06522	100.0
318.06870	4.4
330.14444	0.6
354.23792	0.2
359.07632	0.2
362.60236	0.2
368.75186	0.2
411.29999	0.2
441.17935	0.2
445.19876	0.2
479.11957	0.4
510.25122	0.2
608.40094	0.3
625.26227	1.4
625.42725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.0
53.03938	3.5
55.01858	5.6
55.05502	30.8
57.03419	4.6
57.07052	1.8
59.04985	1.8
59.67412	0.6
65.03933	2.0
65.94050	0.5
67.05492	45.5
69.03416	4.4
69.07056	18.7
71.04977	3.9
74.65546	0.6
77.03928	0.8
79.05479	35.6
81.03405	11.8
81.07042	39.8
82.07354	0.8
83.04969	5.5
83.08604	12.3
85.02882	0.6
85.06535	1.8
90.47984	0.6
91.05463	32.1
93.07027	28.0
94.07398	0.9
95.01289	0.7
95.04951	8.4
95.08588	25.5
97.02886	1.3
97.06506	4.6
97.09550	1.3
97.10150	16.5
99.08083	1.1
103.05457	1.9
105.04457	0.9
105.07007	23.2
106.07414	0.8
107.04936	5.2
107.08574	22.9
109.06491	4.3
109.10134	15.1
111.08061	3.2
115.05417	4.1
116.06232	0.9
117.06998	17.9
119.04919	0.8
119.08559	21.0
119.09384	1.4
120.08962	0.9
121.06498	3.0
121.10142	7.9
122.76059	0.6
123.08050	2.7
123.11705	3.7
125.09616	14.8
128.06177	3.4
129.06979	16.0
130.07761	1.4
131.04878	1.1
131.08543	17.2
133.06474	2.7
133.10115	12.8
135.08051	4.5
135.11671	5.1
137.09633	2.1
141.06950	8.1
142.07762	4.0
143.08546	15.7
144.09357	1.0
145.06482	3.8
145.10101	13.4
147.08025	2.7
147.11652	7.9
149.09531	3.1
149.13261	2.5
151.07672	0.6
151.11183	0.8
153.06990	2.4
153.09109	1.7
153.12825	0.7
154.07747	2.8
155.08516	14.4
156.09300	1.8
157.06485	1.0
157.10094	15.6
158.10768	1.0
159.08047	1.9
159.11655	10.8
160.05183	1.5
161.06000	2.1
161.09612	2.2
161.13223	4.5
163.11205	1.7
163.14888	1.0
165.07025	2.2
165.12808	0.8
166.07745	1.4
167.08531	7.7
168.09366	2.7
169.10086	13.8
169.11423	0.8
170.10846	1.1
171.08025	1.7
171.10300	0.9
171.11644	11.9
172.12291	0.8
173.05968	2.7
173.09653	1.4
173.11853	1.3
173.13223	5.7
175.11078	1.1
175.14854	1.5
177.12866	0.9
178.07767	0.7
179.08539	4.7
180.09288	1.1
181.10103	11.2
182.10843	1.9
183.08002	1.2
183.11658	14.6
184.12212	0.9
185.09613	1.8
185.13229	7.3
187.07553	0.7
187.11215	2.0
187.13266	0.8
187.14841	2.8
189.11208	8.8
189.12688	1.2
191.08676	0.9
191.10532	0.7
191.14253	0.7
192.09296	1.0
193.10179	3.2
194.10869	0.8
195.11662	9.8
196.12401	1.0
197.09602	1.3
197.13235	9.5
198.13896	0.7
199.11130	1.3
199.14801	4.5
201.12723	1.3
201.16429	1.7
203.14264	1.0
205.10146	2.1
206.10931	1.0
207.11717	5.7
207.13623	1.1
208.12457	0.8
209.13261	7.0
210.13989	0.8
211.11177	1.2
211.14772	6.1
213.12708	1.3
213.16388	2.9
215.14340	1.0
215.17969	0.9
217.15764	0.6
219.11679	2.2
221.13303	4.4
223.11339	0.7
223.13086	1.9
223.15146	3.8
225.12788	1.5
225.16376	4.7
227.12701	11.9
227.17885	1.4
230.15564	0.8
231.17430	0.7
233.13248	1.2
235.14795	3.8
235.16808	0.8
236.15434	1.1
237.16391	3.8
239.14301	1.3
239.17938	4.4
241.19609	1.5
243.13760	0.8
247.14763	1.5
249.16405	1.7
251.17879	3.2
253.15828	0.9
253.19615	2.4
255.17421	0.8
257.18958	3.7
259.20645	3.0
263.17874	1.1
265.19543	1.9
267.20901	0.7
271.13345	2.0
271.16797	1.4
271.20636	0.8
273.18478	3.4
275.20038	5.6
277.19510	0.8
279.21091	1.2
281.19006	0.9
281.22525	1.0
291.19412	8.2
295.20688	1.2
297.18582	0.9
297.22192	1.5
299.23792	1.5
305.19098	0.7
305.22522	0.7
307.20578	1.1
309.22076	1.3
311.20166	1.0
311.23694	0.8
313.21561	0.8
315.23221	1.9
321.21872	0.8
323.23648	0.9
325.21503	1.2
327.19730	0.7
327.23566	0.9
331.22647	1.4
335.26242	1.3
337.25397	1.0
339.23218	1.5
345.20813	1.0
347.23172	0.9
349.24051	1.2
351.23105	1.1
361.25220	0.9
363.26865	1.9
365.23947	1.1
369.24240	0.8
377.17914	0.7
377.28366	1.7
379.29935	7.4
381.27945	1.2
391.19214	1.1
392.19943	1.4
393.20728	0.8
395.29105	0.8
398.15451	0.7
400.16672	1.2
401.17746	1.9
405.21072	1.2
407.22266	1.0
408.22717	0.9
413.17566	0.8
415.19275	2.0
416.20148	1.5
417.20923	0.8
427.19598	0.8
428.20013	0.8
429.21286	1.1
433.31180	1.1
435.21707	1.6
435.32394	1.2
437.30420	1.2
444.19525	1.4
445.19833	1.1
447.18066	2.3
448.18823	0.9
451.32138	1.6
458.21277	0.9
461.19861	1.3
461.29562	0.7
462.20496	1.0
463.20822	1.5
471.21719	2.6
473.19797	1.2
474.20538	1.4
475.21442	1.4
486.20651	1.9
489.22629	2.0
490.20157	2.3
491.20670	1.6
499.21252	7.6
500.21579	0.9
501.22864	2.7
503.20682	1.0
513.37384	3.8
517.22363	5.8
518.22650	1.4
525.35901	7.2
526.35944	1.0
527.20276	1.0
529.22369	4.7
531.38275	5.2
535.24188	0.9
536.34998	0.9
541.34949	1.2
545.21710	17.1
545.29578	1.3
546.22174	3.0
549.39368	5.0
554.35718	3.2
555.37079	1.0
564.23340	1.1
567.40247	1.6
573.21423	5.3
574.21625	0.8
587.40887	2.1
591.03607	0.7
595.42456	0.8
605.23883	37.6
605.41669	16.4
606.24219	6.9
606.42303	1.9
623.25488	36.5
623.42963	100.0
624.25403	8.0
624.43402	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	623.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01849	2.2
55.05500	6.4
57.03427	5.4
57.07045	1.4
59.04985	0.7
61.02642	0.7
61.02919	8.2
65.03912	1.1
67.05493	13.4
69.03419	8.0
69.07059	7.7
70.45211	2.4
71.01331	2.1
71.04972	7.1
73.02901	44.0
73.06540	0.6
77.51212	0.6
79.05479	10.1
81.03406	6.2
81.07039	18.2
83.04958	2.2
83.08599	4.2
85.02890	7.9
85.06516	2.4
87.04461	1.0
91.03926	1.5
91.05463	11.9
93.07027	16.3
94.47437	0.5
95.04948	4.1
95.08589	20.4
97.02882	6.0
97.06510	2.0
97.10163	3.2
99.04407	0.6
99.08063	1.8
103.05447	1.0
105.07011	15.7
107.04939	2.9
107.08573	19.9
109.02828	0.7
109.06495	2.3
109.10138	19.4
111.04420	0.8
111.08058	1.4
113.05943	0.6
113.09560	0.9
115.03901	6.3
115.05406	0.9
117.06994	5.0
119.04932	0.7
119.08564	17.6
121.06490	3.5
121.10123	18.6
123.08025	1.0
123.11679	11.2
123.96734	0.5
125.05974	0.6
125.09615	5.5
127.03880	1.2
127.07545	1.0
127.11166	4.0
128.06184	1.3
129.06984	4.6
131.04953	0.7
131.08543	8.7
133.06491	1.9
133.10097	15.0
135.08014	3.2
135.11656	14.8
137.05954	0.6
137.09618	2.0
137.13182	2.7
139.11188	1.0
141.06984	1.1
141.12799	1.1
142.07777	0.6
143.08528	5.2
143.10649	4.7
145.06485	2.6
145.10100	9.0
147.04375	1.1
147.08025	2.2
147.11650	10.3
149.09601	3.5
149.13222	6.7
151.07503	0.5
151.11134	1.3
153.09042	0.6
153.12785	0.7
155.08548	3.5
157.06500	0.6
157.10075	5.6
159.08002	1.6
159.11671	9.6
161.09602	2.3
161.13211	7.3
163.11198	1.4
163.14801	3.4
165.07027	0.7
165.12796	0.9
167.08580	0.8
169.10086	2.4
170.10835	0.6
171.11667	5.2
173.04515	1.1
173.09627	1.6
173.11806	0.8
173.13232	6.3
175.11180	1.6
175.14806	3.4
177.09132	0.9
177.12762	0.8
177.16306	2.5
179.10664	1.0
179.14287	0.8
181.10109	1.2
183.11670	3.1
185.09610	0.9
185.13240	4.3
187.11084	0.9
187.14783	5.3
189.12662	1.1
189.16364	5.2
191.14282	0.9
191.17892	4.2
193.12202	1.2
195.11685	1.4
195.13762	0.6
197.13254	1.8
199.11267	0.7
199.14771	2.7
201.12715	1.3
201.16321	4.7
203.14284	1.1
203.17924	5.1
205.12201	0.9
205.15894	0.7
207.17274	0.8
209.13264	1.1
211.14827	1.7
213.12784	0.9
213.16368	2.6
215.14313	1.3
215.17987	2.4
217.12427	0.5
217.15852	1.5
217.19469	1.7
219.13811	1.3
219.17422	0.7
223.14857	1.2
225.16325	1.2
227.14334	1.0
227.17935	1.4
229.15862	0.8
229.19499	0.7
231.13844	1.6
231.17383	1.2
233.15367	1.3
239.14319	0.7
241.15919	1.2
241.19513	1.1
243.21080	1.1
245.15335	1.5
247.16904	1.8
249.18602	0.8
253.19498	0.9
255.21109	1.6
257.19006	0.8
259.20578	1.1
261.18433	0.6
267.21115	0.8
273.18665	0.7
273.22073	0.9
275.20273	0.6
279.21213	0.6
285.22287	0.7
297.22153	0.9
299.23618	0.7
301.21661	1.3
315.23331	3.8
327.23309	0.7
341.24619	1.2
351.23056	1.7
363.26740	0.6
369.24109	4.6
369.27924	0.7
381.27707	0.6
385.31061	0.7
387.25089	2.7
395.33234	2.9
400.59784	0.5
407.33145	0.8
409.34485	1.9
419.33029	2.3
437.28397	0.4
437.34070	12.0
443.27884	13.3
444.28107	1.1
455.35138	21.5
456.35339	0.7
461.28906	23.2
462.29639	2.4
473.36227	11.6
485.29050	1.6
491.37073	1.7
503.29849	2.2
527.29492	0.6
569.30627	1.0
587.31970	1.0
587.39594	6.7
605.40369	100.0
606.40552	3.6
623.33923	2.5
623.42194	1.0
646.48712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4141
Annotation	bafilomycin A1
Peak:m/z	Relative Intensity
53.03925	2.8
54.26486	1.0
55.01856	3.4
55.05502	8.2
57.03431	5.2
57.07063	2.3
61.02914	5.6
65.03938	1.0
67.05494	15.6
69.03419	6.7
69.07059	7.2
70.13245	4.9
71.01354	1.8
71.04980	13.2
73.02905	38.5
79.05482	11.9
81.03400	13.0
81.07040	24.0
83.04961	4.6
83.08580	5.3
85.02898	6.1
85.06522	4.0
91.05459	13.6
93.07024	21.4
95.04958	6.7
95.08590	20.3
97.02870	7.5
97.06519	2.8
97.10153	4.1
99.04441	2.1
99.08076	4.7
105.07014	18.1
106.07353	1.2
107.04939	3.4
107.08572	26.6
109.02860	3.3
109.06499	3.4
109.10137	15.2
111.04448	1.8
111.08054	3.7
115.03917	4.3
117.06979	4.6
119.08570	17.9
121.06487	4.4
121.09259	1.1
121.10122	20.3
123.08060	2.3
123.11684	7.1
125.05943	1.4
125.09608	13.2
127.03859	1.9
127.07528	1.3
127.11174	1.8
129.06964	3.6
131.08548	11.1
133.04922	1.2
133.06508	2.0
133.10104	16.1
135.08028	7.6
135.11685	7.1
137.09584	5.5
137.13260	1.6
139.11148	1.6
142.07718	1.1
143.08537	4.1
143.10667	14.0
143.11751	1.6
145.06490	1.4
145.10095	14.7
147.04419	1.6
147.08067	1.7
147.11667	12.6
149.09587	13.7
149.13213	12.2
151.11177	3.9
155.08566	2.1
157.10143	4.6
159.08060	1.3
159.11635	12.9
161.09619	2.5
161.13237	14.6
163.11171	2.5
163.14792	2.5
165.12759	1.5
167.10670	1.2
169.10127	1.6
171.11679	4.2
173.13235	8.2
175.11223	2.5
175.14778	5.2
177.12740	1.1
177.16312	5.4
183.11629	1.5
185.13177	3.3
187.14752	5.3
189.12737	1.7
189.16373	11.2
191.14294	1.8
191.17877	1.4
193.12230	3.2
195.11688	1.8
195.13776	2.1
199.14803	3.6
201.12645	1.2
201.16341	6.2
203.14391	1.8
203.17920	2.1
205.12418	1.2
205.15877	4.6
207.17398	3.5
209.13306	1.8
211.11369	1.2
211.13248	3.6
211.14984	1.7
213.16364	4.1
215.02859	1.0
215.17905	3.3
217.15863	4.6
217.19400	1.3
219.17444	1.8
225.16389	1.0
227.12683	1.4
227.17920	2.0
229.15837	1.1
231.17268	5.3
233.15350	3.9
233.18973	1.3
235.16901	1.0
239.17938	1.2
249.18486	3.4
255.20961	1.8
257.19019	1.3
267.15875	3.2
269.17371	1.9
285.22159	1.9
299.23639	1.1
301.14374	1.4
337.25092	1.0
339.17975	1.0
367.29645	1.3
379.29932	6.4
397.30942	7.5
407.32950	2.4
419.33014	6.8
425.33932	7.4
437.34186	16.3
438.41055	1.1
443.27756	1.8
455.28922	1.1
455.35107	22.1
461.28809	8.8
473.36099	3.6
479.30066	2.6
587.39777	5.4
605.40405	100.0
606.40985	2.1
623.33502	15.3
624.33899	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.414
Annotation	Beesioside A
Peak:m/z	Relative Intensity
51.89078	0.8
53.03942	1.1
55.05502	3.5
55.63060	1.1
57.03415	3.0
57.07055	1.8
59.05000	1.2
61.02909	4.7
61.69183	0.9
67.05492	5.3
69.03421	2.7
69.07050	2.8
71.01343	1.2
71.04975	12.1
71.24081	1.5
71.24434	1.2
73.02903	34.6
73.03313	1.7
79.05492	5.8
81.03407	1.6
81.07039	14.0
83.04985	1.3
83.08608	2.5
85.02893	3.7
85.06539	1.4
87.04427	1.0
88.87344	1.0
90.05954	1.0
91.05444	6.6
93.07027	11.5
95.04964	3.4
95.08588	13.5
97.02857	2.3
97.06506	2.3
97.10149	2.4
99.08063	4.6
105.07008	13.4
107.08574	21.3
109.06477	1.3
109.10145	11.8
111.08086	1.1
115.03912	5.6
117.06948	1.5
119.08557	11.8
121.10126	19.7
123.08060	1.7
123.11694	5.1
125.09620	10.4
127.07563	1.3
127.11160	2.3
129.07022	1.4
130.07858	0.9
131.08540	6.0
133.10106	12.4
135.08041	7.5
135.11642	5.5
137.09615	3.1
139.11215	1.0
143.08531	3.2
143.10664	17.0
144.09331	0.9
145.10107	14.5
147.08092	1.2
147.11656	11.2
149.09584	12.4
149.13229	11.0
151.11215	3.1
157.10069	4.9
159.11656	12.0
161.09662	1.8
161.13240	16.4
163.11110	2.1
163.14848	1.6
165.12733	1.2
169.10088	1.8
171.11719	2.6
173.13217	9.2
175.14763	5.7
177.16357	4.4
183.11667	1.7
185.13266	3.2
187.14832	6.7
189.16365	11.8
191.14273	1.3
191.17911	1.7
197.13277	1.0
199.14822	4.1
201.16327	4.7
203.14255	1.0
203.17964	1.5
205.15901	4.9
207.17422	7.1
209.13200	1.0
213.16391	4.4
215.14351	1.4
215.17889	3.9
217.15901	7.9
219.17342	1.9
227.17838	1.4
229.15810	1.4
231.17352	9.0
233.15352	2.9
233.18996	1.6
235.16946	2.0
239.17993	1.2
249.18546	1.8
255.20985	1.6
271.20612	1.3
285.22113	1.2
293.22656	1.3
299.23477	1.3
339.26627	1.4
344.01834	1.0
349.28769	1.1
351.26807	1.5
357.27774	1.7
367.30005	1.3
379.29962	6.0
397.30975	8.4
407.33270	2.0
419.32993	6.9
425.34149	8.7
437.34119	22.7
455.35187	24.4
461.28909	2.1
473.36526	4.4
505.05746	0.9
517.34949	1.2
587.39233	6.1
605.40405	100.0
606.40735	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	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.5
53.03931	6.0
55.01862	7.1
55.05505	27.1
57.03430	13.9
57.07062	2.2
61.02918	7.7
65.03920	3.9
65.25825	1.1
66.21857	1.0
67.05494	48.5
69.03419	19.0
69.07060	14.5
70.59553	1.3
70.59904	4.4
70.62428	1.1
71.04977	8.6
73.02906	10.2
77.03937	1.2
79.05013	2.1
79.05481	44.3
81.03404	67.2
81.07043	60.8
83.04976	17.2
83.08604	21.1
85.02890	20.2
85.06524	4.5
85.27993	1.3
87.04452	1.3
91.03951	2.8
91.05469	42.4
93.07030	46.4
95.04384	1.9
95.04951	27.1
95.08590	21.9
97.02877	17.4
97.06528	9.2
97.10153	12.7
99.04434	4.8
99.08095	1.8
105.07016	33.1
107.04922	12.0
107.08576	30.1
109.02864	11.4
109.06489	8.4
109.10127	13.6
111.04417	8.9
111.08083	7.8
115.03870	1.9
115.05431	2.5
117.07002	18.7
119.04936	2.5
119.08561	25.4
121.06507	9.3
121.10130	18.9
123.04434	4.5
123.08041	4.7
123.11703	3.9
125.09602	9.4
127.03890	8.4
127.07568	1.3
128.06186	2.8
129.05473	1.6
129.06982	14.6
131.04912	4.2
131.08543	25.3
133.06477	6.4
133.10106	15.4
135.08031	5.7
135.11691	8.8
137.05968	2.3
137.09573	3.3
137.13281	1.3
141.06967	4.6
142.07802	2.3
143.08583	9.8
143.10672	2.4
145.06483	8.7
145.10106	11.1
147.04355	3.1
147.08047	6.4
147.11668	13.7
149.05960	2.6
149.09598	6.4
149.13275	9.9
151.07478	1.4
151.11136	2.0
153.06995	2.0
153.12727	2.0
155.08528	5.2
157.06479	2.2
157.10123	10.6
157.11296	1.9
159.08035	3.4
159.11655	8.4
161.05917	2.1
161.09590	3.2
161.13260	4.0
163.11172	4.4
165.12735	3.2
167.08563	3.2
169.10081	5.0
171.08014	3.7
171.11679	4.0
173.04436	3.1
173.09596	3.4
173.13275	1.2
175.11136	8.2
177.12669	5.8
179.08537	1.9
181.10092	2.8
183.11687	3.8
185.09596	2.2
185.13245	3.4
187.14828	1.3
189.09096	1.4
189.11171	5.1
189.12703	2.3
189.16281	1.5
191.10629	3.2
191.14258	1.5
191.17978	1.6
193.12218	16.1
195.11969	1.6
195.13811	6.6
197.09651	1.4
197.13210	3.3
199.11119	1.7
199.14838	2.6
201.12665	2.0
203.17921	1.4
205.12079	1.6
207.13834	1.4
209.09644	1.5
211.11317	1.1
211.13231	24.8
211.15062	1.5
213.12744	1.3
213.14838	1.4
215.14296	1.6
217.15926	3.4
219.13843	3.0
225.12889	1.3
225.16516	1.2
227.12720	4.9
229.14197	1.4
231.13899	1.7
233.15271	2.2
235.13208	2.5
235.16927	1.7
237.12578	1.4
239.14212	1.8
249.14850	2.8
257.15314	3.3
259.16949	1.3
261.14969	1.4
267.15781	8.5
269.17419	9.8
273.15036	3.2
273.18414	1.4
275.16263	1.3
275.20117	1.5
277.14252	1.4
285.17026	3.7
301.14261	2.8
303.15930	3.7
309.16791	1.5
333.21817	1.3
338.09875	1.2
339.18008	3.2
341.24786	2.3
351.22998	6.4
355.17563	2.2
369.24356	11.1
375.17963	2.1
377.19525	1.9
387.25272	5.4
395.20642	3.8
407.25903	1.9
411.20044	3.1
413.21677	1.6
429.26096	1.4
435.27216	3.2
437.34183	3.2
443.27908	22.5
453.25696	1.3
455.35266	1.9
459.27383	1.8
461.28922	100.0
462.29004	3.0
473.29019	2.0
479.30063	9.7
485.29388	2.9
503.30072	5.3
513.28320	1.4
527.30029	2.2
545.31049	4.9
551.30048	2.4
557.30804	2.0
569.31158	6.1
587.31696	5.7
605.32159	10.3
605.41504	10.4
623.34106	58.1
624.34729	3.1
632.29865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.03936	6.5
54.59301	1.3
55.01869	8.9
55.05502	31.3
57.03197	1.1
57.03433	14.8
57.07061	1.8
59.04988	2.8
61.02929	6.7
65.03928	4.6
67.05492	60.6
69.03416	23.6
69.07050	19.5
71.01340	2.4
71.04981	14.7
71.79553	1.1
71.79989	1.3
73.02907	10.1
79.05482	53.1
80.05830	1.8
81.03403	100.0
81.07040	81.0
81.07534	2.8
82.03728	1.4
82.07386	1.2
83.04971	24.0
83.08606	26.8
85.02889	24.7
85.06528	5.3
91.03979	1.8
91.05466	53.4
93.07028	51.7
95.04951	34.9
95.08591	30.4
97.02873	19.6
97.06519	11.3
97.10145	10.8
99.04452	6.5
99.08082	3.6
103.03925	2.2
103.05449	2.1
105.04482	1.7
105.07010	41.6
105.07710	2.5
107.04936	14.7
107.08569	32.0
109.02846	18.6
109.06489	11.1
109.10138	13.8
111.04424	14.0
111.08064	9.2
113.06006	3.3
115.05469	3.3
117.06997	16.1
119.04935	4.4
119.08557	30.5
121.06467	9.9
121.10118	21.7
123.04414	4.5
123.08041	7.7
123.11690	8.6
125.09615	9.7
127.03888	11.5
127.07560	2.1
128.06247	1.9
129.05449	3.3
129.06979	15.2
129.07852	2.0
131.04936	4.0
131.08540	23.9
133.06473	7.5
133.10100	22.5
135.04420	1.9
135.08028	8.6
135.11674	12.5
137.05881	1.9
137.09590	4.8
141.07007	3.8
142.07733	3.7
143.08536	8.6
143.10684	1.8
145.06461	5.5
145.10083	15.0
147.04427	7.4
147.08044	5.0
147.11647	22.2
149.05951	2.5
149.09584	9.7
149.13242	14.2
151.11263	1.6
153.09152	1.6
153.12753	1.9
155.08510	6.0
156.09319	1.4
157.06519	3.7
157.10100	14.4
159.08052	2.8
159.11652	13.2
161.05984	2.0
161.09663	4.0
161.13223	5.9
163.07487	1.7
163.11157	5.6
163.14865	1.9
165.12717	6.4
169.10072	2.3
171.08040	2.6
171.11679	5.3
173.04401	3.1
173.09595	4.3
173.13232	4.5
175.07588	1.3
175.11169	8.3
175.14807	2.4
177.12755	7.0
177.16353	1.8
181.10153	2.4
181.12253	2.9
183.06567	2.1
183.08051	1.9
183.11652	3.8
185.13277	3.7
187.07660	1.9
187.14815	4.1
189.11206	3.0
189.12759	2.6
189.16423	3.4
191.10585	2.1
193.10394	1.2
193.12212	29.8
195.12065	1.5
195.13762	6.8
197.13191	2.8
199.14865	3.0
201.12711	2.1
201.16446	1.8
203.14224	1.3
205.12138	1.3
207.13823	1.5
209.13411	1.7
211.13232	37.0
213.12762	2.5
213.14673	2.4
215.14471	1.6
217.15947	3.6
219.13654	1.2
227.12665	7.2
229.14273	2.0
231.13885	2.5
233.15320	1.9
235.13127	2.8
235.17035	1.6
237.12639	1.3
239.14220	1.5
249.14862	2.9
251.16516	1.3
255.13754	1.5
257.15320	1.5
261.14932	2.1
267.15829	15.6
269.17493	13.6
273.14767	2.6
275.16382	3.7
275.19965	1.4
285.14264	1.6
285.17130	6.7
287.16501	1.4
291.19604	1.9
301.14450	5.0
303.15942	2.5
319.15466	1.4
321.17035	3.9
323.23935	1.3
337.16492	3.2
339.17929	5.6
351.23325	2.1
355.17587	3.4
369.24292	5.4
377.19772	2.5
387.25330	5.2
393.19186	2.3
395.20529	7.3
406.96057	1.3
411.20071	5.8
413.21683	2.5
433.29758	2.5
435.27304	2.0
437.28607	1.5
437.34146	4.8
443.27945	14.5
447.27106	1.7
455.34943	6.0
461.28934	47.9
462.29535	1.7
479.30090	16.3
495.28131	1.8
503.30063	4.5
513.29053	1.4
527.30060	1.8
529.30658	1.3
545.31274	2.7
569.30859	4.1
587.31989	5.7
587.40112	1.9
605.32739	12.4
605.40533	25.1
623.34192	94.4
623.42236	4.1
624.34271	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44192	0.4
51.95936	0.4
55.05495	1.6
57.03436	1.1
57.07054	0.5
67.05493	4.5
69.07051	1.7
69.08394	0.5
69.54748	4.0
76.97674	0.4
79.05486	3.3
81.07040	3.4
83.04948	0.5
83.08604	1.2
91.05453	3.5
93.07010	2.7
95.04955	0.9
95.08590	2.4
97.06517	0.5
97.10168	1.0
105.07039	2.1
107.08585	1.4
109.10160	1.5
117.07015	1.9
119.08561	3.8
121.10122	1.2
125.09615	0.6
131.08557	1.3
133.10135	1.3
135.11679	0.9
135.31285	0.4
137.53073	0.4
141.52988	0.4
142.07751	0.5
143.08549	0.8
145.10120	2.0
147.11681	0.6
149.09647	0.5
149.13321	0.5
155.08577	0.7
157.10159	0.9
159.08093	0.9
169.10146	0.8
171.11682	0.9
173.09654	0.9
181.10095	0.6
183.11755	0.8
211.12453	0.6
271.17020	1.3
275.20172	1.3
277.09793	0.5
289.18069	0.9
338.12885	0.5
345.20270	0.6
375.16373	0.6
377.17654	0.7
389.17685	1.2
391.19247	1.2
393.20712	0.6
402.18597	0.4
403.19638	0.8
404.20132	0.8
405.21063	0.9
406.21619	1.1
407.22147	0.6
417.16315	0.8
417.21411	0.8
418.17755	1.3
419.18497	2.1
419.22580	2.2
420.19180	0.9
421.23904	1.7
429.16815	1.1
431.18628	2.0
432.19031	0.9
433.19803	3.0
434.20987	0.7
435.21616	1.0
443.18536	0.9
444.18970	0.5
445.20044	3.4
446.21075	1.1
447.22614	2.8
448.22571	1.7
449.23486	4.6
450.23621	0.5
457.20129	0.7
458.20767	1.1
459.21927	5.0
460.22427	1.4
461.19739	2.0
462.20325	0.7
463.21463	1.6
475.21326	1.5
476.21912	5.4
477.22928	4.5
489.22745	1.8
490.23224	0.7
503.24350	1.5
506.23203	0.5
519.23700	1.4
521.21869	0.6
531.23468	1.1
533.25671	3.3
535.27319	4.2
545.25134	2.6
547.27240	2.6
563.26477	18.5
564.27283	0.7
576.24054	0.7
591.25793	1.5
595.28540	1.2
605.27545	3.7
605.42230	0.8
606.28345	8.9
622.61835	0.5
623.28558	100.0
623.42987	5.3
624.28839	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	623.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01859	3.5
55.05503	16.0
57.03429	5.0
57.07058	1.5
61.02919	26.3
65.03938	1.4
67.05492	32.1
69.03408	5.2
69.07055	12.1
71.04968	6.4
71.16421	2.8
73.02897	17.6
79.05476	25.5
81.03403	3.4
81.07043	36.4
81.07529	1.8
83.04959	3.8
83.08593	9.7
85.02888	18.8
85.06519	2.2
87.04401	1.4
91.03938	12.7
91.05463	39.3
91.06034	2.3
93.07030	29.8
95.04955	7.4
95.08595	21.8
97.02882	13.9
97.06519	5.4
97.10156	3.5
99.04404	1.9
99.08083	3.7
103.05451	1.8
105.07012	31.0
107.04942	4.1
107.08571	20.8
107.36485	1.4
109.02847	1.5
109.06516	5.7
109.10126	15.2
111.08064	3.8
115.03899	1.7
115.05434	4.4
117.06999	23.0
119.04905	1.5
119.08562	23.0
121.06478	5.0
121.10126	13.8
123.08055	3.2
123.11668	2.6
125.09611	4.3
127.03909	4.1
127.07539	1.6
128.06226	6.8
128.07091	1.2
129.06978	32.4
130.07751	1.5
131.08543	36.5
133.06500	3.9
133.10097	15.4
135.08058	5.4
135.11668	7.1
137.09612	3.5
139.11131	2.3
141.06958	14.8
142.07765	2.8
143.08542	22.9
143.10588	2.3
144.09328	2.3
145.05000	1.5
145.06462	6.3
145.10098	20.1
147.08089	6.3
147.11678	9.3
149.09592	9.1
149.13223	5.6
151.11028	1.8
153.06989	2.6
155.08540	19.3
157.06490	2.8
157.10103	18.2
159.08063	3.9
159.11661	13.5
161.09605	2.7
161.13235	4.5
163.11069	2.1
165.06950	3.1
167.08479	6.5
169.10083	15.1
171.08066	2.9
171.11662	9.7
173.09599	3.1
173.13199	6.6
175.07664	1.2
175.11176	3.7
175.14825	3.9
177.12758	4.3
178.63734	1.2
179.08522	4.1
181.10069	10.7
183.11644	9.7
185.09666	2.8
185.13258	6.5
187.11182	3.4
187.14792	4.7
189.12769	1.5
189.16411	3.9
193.10101	3.9
195.11678	11.6
197.09581	2.9
197.13225	6.6
199.11101	2.8
199.14816	4.4
201.12691	2.7
201.16270	1.2
203.14328	2.3
207.11652	4.1
209.13223	5.3
211.11288	2.0
211.14819	4.2
213.12785	5.0
213.16365	3.1
215.14275	5.6
217.12216	1.5
217.15805	2.3
221.13235	9.3
223.14783	6.5
225.12732	2.7
225.16341	2.7
229.16086	1.9
231.17363	2.6
233.15353	2.6
235.14799	3.6
239.14325	5.6
241.15855	2.8
243.17462	1.8
249.16370	1.7
253.15840	3.0
257.15427	3.0
259.16977	2.3
267.17545	2.8
271.16953	4.0
283.17047	1.4
285.18411	1.7
323.20123	1.4
323.23526	6.7
333.22064	14.0
341.24695	7.3
351.23132	40.5
352.23535	1.8
367.59790	1.5
369.24139	27.3
387.25253	15.9
397.31219	2.8
407.32437	1.6
415.28268	1.8
419.33041	1.8
425.26718	8.0
425.33981	2.2
426.41852	1.3
433.29703	1.8
437.33881	6.1
443.27869	100.0
444.28204	6.2
455.35037	7.5
461.28928	69.6
462.29324	3.3
473.36310	2.8
485.28638	1.6
569.30560	1.5
587.39154	3.6
605.40448	26.2
605.49652	0.8
623.33630	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01854	0.5
55.05495	1.1
57.03425	0.2
60.87386	0.2
63.09222	0.2
67.05494	1.3
69.07059	0.8
71.49262	0.3
71.49599	0.2
74.10746	0.2
79.05492	1.6
81.07055	1.5
83.04969	0.4
83.08619	0.3
84.73280	0.2
91.05459	1.4
93.07043	1.2
95.04952	0.4
95.08575	0.9
97.06515	0.3
97.10158	0.3
103.61691	0.2
105.07004	1.5
107.04961	0.2
107.08607	0.6
109.10137	0.3
111.08102	0.2
117.06990	0.6
117.49550	0.2
119.08558	0.9
121.10133	0.4
124.61281	0.2
125.09615	0.3
127.40026	0.2
128.08722	0.2
129.06987	0.3
131.08572	0.8
133.10141	0.5
135.11722	0.3
143.08543	0.4
145.10104	0.6
147.11700	0.3
149.09628	0.5
151.11188	0.2
155.08553	0.2
157.10144	0.4
159.11702	0.5
169.10072	0.3
171.11621	0.3
173.13222	0.3
183.11693	0.2
185.13329	0.3
197.13260	0.4
209.13226	0.3
235.12587	0.2
239.18008	0.2
275.20004	1.2
276.65070	0.2
291.19611	0.3
324.14948	0.2
346.84784	0.2
375.15930	0.3
387.16107	0.2
388.16998	0.3
389.17627	1.2
390.18256	0.5
391.19275	0.6
399.15738	0.2
401.17676	0.8
402.18503	0.8
403.15097	0.4
403.19492	1.7
404.19968	0.6
405.20914	1.4
415.19299	0.8
416.15152	0.3
416.20523	1.3
417.17010	2.0
417.20901	1.9
418.17316	0.5
418.22278	0.4
419.17542	0.3
419.22397	5.3
420.22910	0.6
428.16119	0.4
429.16171	1.1
429.22009	0.3
430.17426	0.6
430.21909	0.6
431.18579	3.5
431.22787	2.1
432.19193	1.8
433.20154	2.2
434.21490	0.3
435.21680	0.5
443.18369	3.6
444.19214	1.4
445.20084	8.0
446.20847	4.7
447.21918	5.3
448.22891	0.5
449.23431	1.7
450.24185	0.5
457.20224	0.9
458.20715	1.0
459.22021	3.1
460.23010	0.4
461.18814	1.4
462.20261	1.9
463.21262	1.9
465.22943	0.3
473.23969	1.1
475.20804	1.5
476.21936	5.2
477.22882	6.4
478.23349	0.8
489.22873	2.3
490.23520	0.8
491.20633	0.6
492.24918	0.3
501.22754	0.5
503.25330	1.1
505.22308	0.9
505.26620	0.5
508.24564	0.3
517.22266	0.4
518.22778	0.3
519.23822	0.4
521.21490	1.3
522.26813	0.3
531.24036	0.4
531.38025	0.2
532.24786	0.3
533.25433	15.6
534.25800	0.6
535.26721	0.6
545.25726	1.0
561.24664	0.3
563.26465	19.1
564.26501	1.0
565.27960	0.5
590.25555	0.3
591.25336	0.5
592.26648	0.5
593.27490	4.2
594.25781	0.3
595.29181	0.3
605.27295	1.1
605.41949	0.5
623.28558	100.0
624.28778	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
55.79244	0.2
56.22637	0.2
57.03415	0.3
67.05485	0.8
69.07054	0.3
70.21102	0.4
70.21503	0.4
79.05482	0.5
81.07052	0.6
83.04990	0.2
83.08601	0.2
91.05479	0.5
93.07037	0.7
95.08596	0.5
104.62128	0.2
105.07015	0.4
107.08527	0.4
109.10139	0.5
110.43610	0.2
110.62878	0.2
117.07047	0.3
119.08567	0.6
131.08563	0.2
133.10117	0.2
145.10083	0.2
173.13158	0.2
185.10789	0.3
208.45503	0.2
209.10820	0.3
221.10716	0.2
223.12334	0.3
225.13911	0.2
237.13689	0.2
275.20099	0.3
289.18124	0.3
317.55191	0.2
370.95160	0.2
377.17474	0.3
387.16074	0.3
388.17139	0.4
389.17532	1.0
390.18539	0.2
391.19250	1.1
392.19370	0.2
400.16794	0.3
401.17538	0.8
402.18713	0.6
403.19363	2.0
404.19882	0.6
405.21054	1.7
406.21509	0.7
407.22360	0.8
415.19287	1.4
416.19971	0.7
417.16824	1.1
417.21707	1.6
418.17004	0.9
419.18192	0.6
419.22775	2.6
420.23517	1.2
421.23804	0.2
428.15964	0.3
429.16760	0.5
429.21414	0.4
430.17029	1.4
431.17642	2.4
431.22861	1.1
432.19037	0.9
432.23325	0.9
433.20114	4.5
433.25204	0.3
434.20905	0.6
435.21921	0.2
443.17706	1.4
444.18723	1.7
445.19791	5.1
446.20938	2.6
447.21988	4.2
448.22720	1.5
449.23135	0.6
457.19986	0.5
458.20816	5.3
459.21725	5.0
460.22623	3.7
461.19775	0.9
462.20346	0.7
463.21194	2.0
465.23032	0.4
471.22141	0.4
472.22510	0.7
473.23929	1.5
474.20383	0.2
475.20850	0.9
476.21783	1.5
477.22742	2.0
478.23334	0.2
479.24573	0.3
485.23434	0.6
486.24628	0.4
487.25262	0.3
489.19293	0.3
489.22354	0.3
490.23755	0.3
491.24554	0.3
503.20245	0.4
503.24664	0.6
504.25153	0.5
505.21539	1.5
516.21509	0.4
517.21783	1.0
518.22913	4.1
519.23883	0.3
521.21021	0.9
530.23291	0.3
531.23755	0.7
532.24652	0.8
533.25446	7.9
534.25677	0.4
535.27594	1.7
536.23413	0.5
545.25323	4.0
546.26038	1.4
548.23456	0.2
549.24414	0.3
561.24744	0.3
562.25647	0.2
563.26373	8.3
573.25092	1.0
577.27863	0.9
590.24884	0.3
591.25940	0.6
593.27679	0.3
605.27502	10.6
606.28320	0.5
623.28510	100.0
624.28748	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15852	0.2
67.05507	0.4
67.21928	0.2
71.80573	0.3
79.05461	0.3
80.81490	0.2
81.07052	0.4
93.07024	0.4
95.27921	0.2
100.34013	0.2
100.78780	0.2
104.33641	0.2
105.06995	0.2
107.05003	0.3
107.08585	0.2
123.32533	0.2
125.64923	0.2
133.10075	0.3
159.11653	0.2
159.40541	0.2
207.09407	0.2
225.13937	0.3
226.14287	0.3
235.12392	0.2
259.12125	0.3
338.33514	0.2
375.16269	0.6
376.17050	0.5
377.17844	0.3
388.82367	0.2
389.18234	0.4
390.18393	1.1
391.19290	1.4
392.20267	0.4
401.17566	0.4
402.18396	0.3
403.15213	0.5
403.19855	0.4
404.16083	0.8
404.20740	0.4
405.16165	0.4
405.20792	3.3
407.22308	0.5
413.17746	0.3
414.18423	0.4
415.19434	0.8
417.20840	0.8
418.17392	1.2
419.17679	1.6
419.22739	0.8
420.23474	1.4
421.23935	0.9
427.19202	0.3
429.21014	2.0
430.21457	0.9
431.18146	0.6
431.22760	0.7
432.15192	0.3
433.19778	4.0
434.20764	1.0
435.21854	0.8
442.22092	0.4
443.22610	1.3
444.23547	1.5
445.23956	0.9
446.17371	0.9
447.17703	7.9
448.23001	3.1
449.23401	2.4
451.21042	0.3
452.21997	0.6
455.19565	0.3
457.19748	0.6
458.24600	0.8
459.21420	2.9
460.22739	1.1
461.19418	8.7
462.19745	1.0
463.20987	1.3
465.22745	0.3
471.21698	0.6
472.22565	1.6
473.23590	1.5
475.20984	1.8
476.22003	21.0
477.22644	3.8
479.20605	1.3
485.23453	2.2
486.24023	0.4
487.25262	2.1
488.22528	0.3
489.19479	1.0
500.22269	0.3
503.24588	1.8
504.24109	0.3
508.24213	0.4
517.26379	1.6
518.23175	0.3
519.23901	1.7
521.21564	0.6
531.23914	3.3
532.24518	0.4
535.23383	0.6
536.23480	1.5
545.25427	13.1
546.25977	0.9
547.27002	0.8
548.23895	0.3
549.24982	0.5
559.22937	0.2
563.26471	8.1
564.26782	0.6
573.24640	0.4
577.28070	0.4
591.26013	1.5
595.29065	0.3
605.27692	2.7
623.28540	100.0
624.28845	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	623.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49212	1.4
94.26221	0.8
117.83023	0.7
119.15232	0.7
189.87637	0.8
237.14091	0.8
376.16998	0.9
377.17725	1.5
378.18372	1.0
384.13367	0.8
388.17740	1.2
389.18323	1.1
390.18628	1.0
391.19193	3.2
392.19815	3.5
393.20602	1.8
399.16229	1.2
400.16757	1.9
401.17767	1.5
402.18570	0.8
403.20016	1.3
404.20609	1.5
405.21030	5.7
406.21521	5.1
407.22250	12.6
413.17648	1.6
414.18530	2.9
415.19052	5.7
416.19904	1.5
417.21082	1.3
418.21796	1.5
419.17734	1.2
419.22388	2.5
420.22855	2.0
421.23819	11.6
422.24637	3.2
427.19418	1.6
428.19879	2.6
429.20746	14.1
430.21634	3.2
431.18234	1.2
433.24466	1.5
442.21725	1.8
443.22592	7.5
444.23477	5.5
445.20233	2.9
447.17780	1.8
449.22949	0.8
456.19693	1.6
457.19022	1.1
457.23883	3.5
458.24829	7.5
459.21722	8.1
460.22623	2.5
461.19135	6.4
462.20584	2.3
463.21338	1.5
470.21231	1.6
471.21725	1.5
472.22614	6.8
473.24039	1.1
474.20215	1.2
475.20859	6.4
476.21539	4.9
477.22488	3.4
483.18216	0.9
485.23526	13.1
486.20264	2.5
486.24078	2.8
488.21997	2.1
489.22577	3.5
490.23779	1.0
493.26614	0.9
499.21375	6.2
500.22073	1.9
502.23349	1.4
503.24493	7.8
508.28860	1.0
513.23126	3.6
514.23315	2.2
515.23810	1.3
517.26154	9.0
521.25378	0.9
529.25824	2.2
531.24176	0.8
535.26929	6.9
545.25391	82.8
546.25793	2.8
562.26044	1.4
564.26886	1.8
573.24890	19.9
605.27454	80.7
606.27679	3.5
623.28522	100.0
624.28680	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	621.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01860	7.8
55.05503	9.0
57.03425	20.6
57.06795	1.2
57.07063	22.5
65.03915	2.4
67.04883	1.6
67.05489	43.6
69.03390	1.9
69.07060	8.6
69.53027	6.8
69.53440	2.1
71.04963	2.0
71.08611	15.2
71.64639	0.8
75.48883	1.1
75.62841	0.9
79.05473	20.3
81.03406	1.4
81.06596	1.6
81.07042	25.0
83.04958	2.6
83.08605	8.6
85.06528	11.8
85.10156	7.2
89.05992	1.4
91.05460	17.6
93.07025	19.4
95.04948	47.9
95.08585	22.5
96.08876	0.9
97.06499	4.0
97.10144	2.4
99.08089	1.0
105.07011	14.6
107.04937	7.4
107.07897	1.2
107.08571	16.1
109.06497	53.5
109.10126	7.4
111.08061	2.5
113.05982	26.7
113.09563	0.9
114.06940	0.9
115.05464	1.2
116.06210	1.3
117.06990	11.5
119.08566	10.5
121.06495	4.3
121.10110	4.1
123.08018	3.1
123.11670	2.2
128.06163	1.4
129.06993	6.0
131.08540	14.6
133.06464	2.4
133.10106	7.1
135.08026	45.3
135.11676	6.3
137.05913	1.0
143.08507	7.4
145.10106	9.1
147.08044	5.5
147.11638	2.4
149.09602	5.2
149.13205	1.5
155.08516	1.3
157.10027	4.7
159.08060	2.3
159.11676	6.1
161.09566	7.0
161.13179	1.8
163.11171	1.6
169.10080	1.9
171.11632	3.8
173.09592	1.4
173.13281	2.0
175.11139	2.4
177.12694	3.0
183.11682	1.6
185.13147	2.9
187.11137	1.5
189.12619	1.1
189.16286	1.6
195.11737	1.3
195.13722	1.4
199.11079	1.0
199.14777	2.8
201.12692	1.6
217.15822	11.5
219.13734	1.0
227.17921	1.6
233.15292	1.5
237.16351	1.7
245.18938	3.3
255.17366	2.7
263.19962	1.2
273.18423	36.9
274.25900	1.0
291.19482	100.0
292.19821	3.6
309.20779	2.1
313.27304	46.3
347.22137	7.8
365.23166	10.8
376.57092	0.9
509.40585	3.1
540.67554	0.8
542.49701	0.9
545.41736	2.8
585.45038	10.0
603.46045	42.8
604.45972	2.4
621.26563	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	621.3985
Annotation	Cimigenol 3-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
53.03925	3.5
55.01855	4.6
55.05503	9.3
57.03423	12.4
57.07071	2.5
58.06584	1.8
58.64367	1.1
59.04982	2.4
61.02915	10.7
65.03941	1.4
67.05491	19.6
69.03416	13.2
69.07054	11.4
69.85888	0.9
70.06574	2.1
70.83370	3.3
71.01339	2.8
71.04977	13.9
72.08142	3.1
73.02903	84.3
73.24327	1.0
79.05480	13.9
80.53687	1.0
81.03410	8.1
81.07037	34.7
83.04960	26.2
83.08598	4.4
84.08141	1.7
84.65963	0.9
85.02888	12.8
85.06533	2.9
87.04456	1.9
91.05460	17.2
93.07024	31.3
95.04941	11.2
95.08591	38.8
97.02866	9.3
97.06497	4.5
97.10148	1.9
99.08077	5.1
103.03087	1.0
105.07014	31.1
107.04978	2.0
107.08577	35.7
109.02879	1.6
109.06503	7.3
109.10141	34.5
109.10860	2.2
110.79227	1.0
111.08072	4.8
113.09601	4.1
113.39519	1.1
114.12783	30.7
115.03910	11.0
115.13119	15.3
116.06182	1.1
116.13464	2.9
117.06996	6.0
119.04984	1.1
119.08565	34.6
119.09393	2.1
120.08096	1.7
121.06511	6.4
121.10124	26.4
123.04474	1.7
123.08050	16.1
123.11683	14.0
125.05999	1.3
125.09612	7.5
127.03894	2.8
127.11164	10.3
129.06975	4.1
131.08542	15.5
133.04956	3.1
133.10103	32.8
135.08052	7.9
135.11673	22.2
137.05977	2.2
137.09589	68.0
137.13239	3.5
139.11140	2.4
141.09091	3.9
142.07753	1.4
143.08496	8.6
143.10701	1.2
144.09268	1.7
145.06439	2.6
145.10100	24.0
147.04439	1.7
147.08040	4.0
147.11649	19.4
149.09624	6.9
149.13240	13.0
151.11171	3.8
153.09081	1.4
153.12767	2.3
153.88365	1.1
155.08548	4.8
155.10649	2.8
157.10103	15.3
158.10690	1.0
159.08028	2.7
159.10300	2.1
159.11658	21.5
159.12935	1.6
161.09641	4.8
161.13246	16.9
163.07512	1.6
163.11211	4.3
163.14810	5.7
165.08966	1.5
165.12738	1.8
168.09276	1.2
169.10146	5.3
171.07997	2.4
171.11678	11.1
173.09596	3.9
173.13231	14.9
175.11162	6.0
175.14835	7.5
177.05484	3.3
177.12793	3.3
177.16426	3.7
179.10706	2.0
181.10115	1.6
183.11682	6.6
185.09698	1.4
185.13226	9.2
187.11188	2.9
187.14774	9.2
189.12775	3.3
189.16347	7.6
191.10690	2.3
191.14308	1.6
191.17860	5.6
193.12178	2.7
195.11737	3.4
197.13264	6.6
199.11171	1.9
199.14771	8.3
201.12796	3.5
201.16382	11.5
203.14301	3.8
203.17944	3.4
205.15842	2.1
207.13725	1.6
207.17470	2.5
209.13307	2.7
211.14816	3.6
213.12775	2.3
213.16235	5.0
214.20001	1.6
215.14363	3.2
215.17975	4.1
217.15739	1.4
217.19577	1.2
219.13881	2.1
219.17529	1.5
221.15462	1.6
223.14822	2.7
225.12613	1.5
225.16394	3.4
227.14360	2.7
227.17999	3.0
229.15907	1.3
229.19528	2.0
231.13748	2.3
231.17404	1.5
233.15370	2.5
237.16328	2.4
239.17944	2.5
241.15833	1.4
241.19386	3.2
243.17494	6.4
243.19568	1.6
245.15541	2.2
247.17026	2.0
251.17953	1.9
253.15909	1.1
253.19505	4.3
255.17509	1.9
255.21059	2.3
257.19159	1.6
259.20682	3.2
265.19437	2.4
267.20905	2.4
273.18527	2.4
283.20462	5.6
287.19846	1.4
293.22586	1.7
295.20392	1.1
301.21555	9.8
313.21716	2.8
315.23404	1.8
337.25027	1.7
357.24069	7.7
367.26208	2.5
377.28317	1.9
383.29407	4.6
385.27567	1.8
395.29480	4.7
401.30603	1.3
405.31418	2.2
407.33112	2.7
413.30573	5.3
417.31546	3.5
423.32498	7.3
435.32523	14.0
441.33466	5.7
451.26865	7.2
453.33578	35.1
459.27493	1.5
471.34622	38.0
472.35065	1.5
479.28888	1.3
489.35709	46.1
533.34979	1.4
535.33313	1.4
585.30103	2.0
585.38147	4.5
591.39307	1.4
603.38922	42.9
604.38953	2.0
621.39948	100.0
622.40717	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	621.3987
Annotation	Cimigenol 3-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
50.87039	0.5
53.03923	0.9
55.01843	2.7
55.05501	5.0
57.03194	0.7
57.03428	7.1
57.07047	1.9
59.04982	1.7
60.94799	0.6
61.02915	8.4
65.03926	1.1
67.05491	8.5
69.07055	5.7
69.76319	2.5
69.76745	2.1
71.01321	2.6
71.04981	6.4
73.02904	51.2
75.20817	0.6
77.87797	0.6
79.05482	5.5
81.03387	2.6
81.06593	1.1
81.07040	14.2
82.59828	0.7
83.04969	31.5
83.08598	2.7
84.08118	1.2
85.02898	8.3
85.06513	2.1
87.04430	1.7
91.05458	7.5
93.07024	15.9
95.04964	3.8
95.08592	25.1
97.02882	4.5
97.06493	2.6
97.10135	1.7
99.08061	0.9
100.11237	7.1
101.11565	1.5
105.07008	12.4
107.04899	0.6
107.08573	21.2
109.02843	0.8
109.06523	3.8
109.10134	17.0
111.04390	0.8
111.08057	2.0
113.09637	3.3
114.12782	1.7
115.03927	8.1
115.05488	1.0
117.07030	3.6
119.08550	16.1
120.08096	0.8
121.06463	2.4
121.10127	17.7
122.06060	0.6
122.07271	0.9
122.10435	0.7
123.08042	13.9
123.11693	8.3
125.05898	0.8
125.09618	3.2
127.11150	1.9
129.06955	1.9
131.08539	6.1
133.04936	2.3
133.06429	1.2
133.10098	15.3
133.11110	0.8
135.08052	3.0
135.11670	16.2
137.09590	84.3
137.13187	3.6
138.09970	1.0
139.11082	1.1
141.09093	5.5
143.08536	4.1
143.10652	1.2
145.06453	1.1
145.10092	10.7
147.04350	0.7
147.08012	2.0
147.11662	9.9
149.09576	2.7
149.13232	5.6
151.07483	1.0
151.11160	1.5
153.09129	0.9
153.12711	1.3
155.08557	1.7
157.10114	6.0
159.08003	2.0
159.10168	2.1
159.11664	9.3
161.09618	2.5
161.13235	7.1
163.07463	0.9
163.11143	2.1
163.14778	3.5
165.09013	0.9
165.12804	0.8
167.10672	0.7
167.14398	0.8
169.10089	2.4
170.10852	0.9
171.11667	5.1
172.12395	0.6
173.09621	1.5
173.13211	5.6
175.11157	2.4
175.14818	3.9
176.20680	0.7
177.05473	1.0
177.09081	0.8
177.12711	1.7
177.16360	2.4
179.10707	2.6
179.14368	0.6
181.12189	0.8
183.11679	2.7
185.09554	0.9
185.13222	5.3
187.11147	1.8
187.14799	5.6
189.12735	1.4
189.16357	4.5
191.10652	1.2
191.17928	5.1
192.18394	0.7
193.12164	1.5
195.11667	1.7
197.13249	3.0
198.02884	0.6
199.14777	3.4
201.12697	1.3
201.16362	5.2
203.08957	0.9
203.14252	2.1
203.17918	3.4
209.13237	1.5
211.14792	2.6
213.12761	1.3
213.16338	3.2
215.14276	1.7
215.17926	2.3
215.90424	0.7
217.12183	2.0
217.15947	1.4
217.19502	1.7
219.13635	0.6
221.15453	0.7
223.14751	1.4
225.16376	1.3
227.14363	0.9
227.17825	1.7
229.15868	1.1
229.19568	1.3
231.13713	1.8
231.17545	0.7
239.18022	1.6
241.15854	0.7
241.19467	1.1
243.21037	0.9
245.15334	1.2
247.13319	1.2
247.16782	0.9
251.17897	0.8
253.19626	1.1
255.17456	0.9
255.21010	1.5
257.15182	0.8
267.20929	0.9
269.22507	0.8
273.18463	0.9
279.21072	1.4
281.18893	0.7
281.22644	0.7
283.24185	1.3
293.22687	2.7
297.22064	1.2
299.20288	1.2
309.22018	0.8
311.23672	2.7
313.21628	2.3
313.25171	1.6
315.23187	1.6
317.21155	0.8
321.22098	0.7
327.23157	0.8
331.26355	0.7
339.23267	1.5
339.26849	0.8
349.25253	1.5
357.24127	10.5
365.28397	2.3
367.26205	1.4
383.29486	5.5
393.31625	1.5
395.17746	1.3
395.29373	1.0
407.33310	0.9
411.32327	1.3
413.30472	1.3
417.31506	1.7
423.32483	1.1
425.34286	0.7
435.32492	11.2
441.33560	1.0
453.33533	21.0
454.33813	0.7
471.34610	11.6
481.16000	0.9
489.35605	9.6
531.32983	1.3
533.34692	2.5
585.37848	7.6
586.37427	0.7
603.38831	49.0
604.39233	1.9
621.39905	100.0
622.23944	1.2
622.40125	5.7
647.94147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3984
Annotation	Cauloside B
Peak:m/z	Relative Intensity
53.03923	2.2
55.01860	5.9
55.05501	21.5
57.03422	16.5
57.07077	2.9
59.04994	2.0
61.02918	15.2
65.03925	2.4
67.05494	35.8
69.03069	2.4
69.03415	16.0
69.07056	33.4
69.56796	1.4
69.76094	9.4
69.76513	4.0
71.01355	2.3
71.04987	2.7
73.02903	100.0
79.05479	20.7
81.03408	2.6
81.07040	59.8
82.07362	1.6
83.04957	5.1
83.08606	9.3
85.02894	14.0
85.06525	2.7
87.04443	2.8
91.05466	22.4
93.06429	1.6
93.06541	0.8
93.07028	44.7
95.04962	7.4
95.08588	54.2
97.02879	9.2
97.06534	4.7
97.10146	10.2
98.21410	2.8
99.08086	4.7
103.05521	1.5
105.07011	49.6
107.04987	1.9
107.08570	61.2
109.06509	5.8
109.10136	80.8
111.08092	8.9
111.11710	1.4
115.03915	17.2
115.05431	2.5
117.06994	9.2
119.08562	54.4
121.06512	4.7
121.10123	48.5
123.08027	7.0
123.11682	30.6
123.12511	2.6
125.09600	16.1
127.11218	1.5
128.06261	1.8
129.07002	5.4
130.07759	1.8
131.04771	1.8
131.08543	28.2
133.04941	5.8
133.06461	2.1
133.10107	41.6
135.08044	7.7
135.11678	28.0
137.09592	5.9
137.13268	4.9
139.07500	2.2
139.11179	3.2
143.08519	12.5
143.10667	2.9
144.09351	2.6
145.06441	2.4
145.10100	36.4
145.11198	2.3
147.08047	5.5
147.11659	27.6
149.09621	6.6
149.13222	19.6
150.13618	1.6
151.07523	3.2
151.11160	5.1
151.14885	1.8
153.09044	2.2
155.08565	6.8
157.10089	19.5
159.08095	2.1
159.11661	35.3
161.09636	4.7
161.13216	36.4
161.95335	1.4
163.07521	6.2
163.11227	5.0
163.14795	8.9
165.09050	2.7
165.12788	1.8
169.10085	10.1
170.10837	2.2
171.11647	16.6
173.09608	1.5
173.13240	24.6
175.11145	5.0
175.14787	14.3
177.09111	4.1
177.12822	2.5
177.16353	8.0
179.10672	4.4
179.14349	1.9
181.10124	3.2
183.11618	7.0
185.13213	16.4
187.11172	2.3
187.14774	20.8
189.09140	2.5
189.11208	1.8
189.12822	3.1
189.16357	13.1
191.10637	4.5
191.17921	7.4
195.11707	4.2
197.13219	9.6
199.14789	11.8
201.12611	2.8
201.16374	15.4
203.10608	1.8
203.14343	4.6
203.18015	5.6
205.15918	6.5
207.17474	4.4
209.13313	5.1
211.14792	8.2
213.12808	2.6
213.16327	9.4
215.14278	6.0
215.17970	5.5
217.15898	3.1
217.19453	1.9
219.13748	2.7
219.17389	3.1
221.15332	2.3
223.14804	5.8
225.16451	5.2
227.17923	4.0
229.15926	5.7
231.13843	4.9
231.17447	2.4
233.15405	3.7
233.19011	1.7
235.14827	1.6
237.16373	3.5
239.17958	3.8
241.19574	6.1
243.17426	2.0
245.15311	7.0
245.19147	1.8
247.17003	6.3
251.18095	4.1
253.19536	4.7
255.17564	2.0
255.21054	2.2
257.15497	3.4
259.16946	1.6
259.20590	4.3
265.19397	2.3
267.17694	1.7
267.21133	4.4
269.19077	4.1
269.22543	2.0
271.16986	4.2
271.20377	2.5
273.18515	5.7
279.20996	2.4
281.19217	2.2
281.22659	4.4
283.20587	2.7
285.18542	3.4
293.22653	3.5
297.22180	2.1
299.20297	3.3
301.21597	3.3
307.24063	2.5
309.22223	5.5
311.20291	2.5
311.23669	3.5
313.21609	7.0
315.19785	3.5
321.25720	1.9
325.21613	2.1
327.23129	9.0
329.24719	3.5
331.23163	1.8
337.25290	3.6
339.23233	2.9
349.24799	2.5
353.24695	2.8
355.22559	2.2
355.26498	3.7
367.26254	11.4
371.25806	2.1
375.30325	1.8
377.28494	6.0
379.26428	2.6
385.27472	5.8
393.31595	5.4
395.29303	12.4
397.27451	1.7
399.30908	1.7
403.28369	2.4
405.31381	4.8
407.28220	1.8
407.33069	6.5
411.32626	2.8
417.31372	7.3
423.32437	14.5
425.33926	7.6
435.32526	27.2
441.26529	3.7
441.33658	3.3
453.33539	30.2
454.34250	2.9
459.27396	3.7
471.34644	19.3
489.35718	16.6
539.32141	1.7
585.38452	2.6
603.38843	31.8
604.39478	2.7
621.29810	2.7
621.39886	49.1
621.48108	1.9
622.39868	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	621.3984
Annotation	Cauloside B
Peak:m/z	Relative Intensity
50.00796	0.8
53.03949	3.2
55.01867	5.8
55.05503	18.3
57.03421	17.1
57.07062	3.8
59.04992	2.5
59.48006	0.9
61.02916	14.0
65.03929	1.9
67.05490	37.2
69.03415	18.4
69.07051	32.4
69.07407	1.7
71.01336	3.6
71.04975	5.7
71.47853	2.2
72.89136	0.9
73.02901	100.0
77.03923	1.9
79.05479	21.8
81.00139	0.9
81.03399	6.7
81.07040	65.3
83.04965	8.5
83.08607	11.1
85.02893	15.1
85.06535	3.2
87.04462	3.6
91.05457	25.3
93.07025	45.8
94.07355	1.2
95.04955	7.4
95.08585	58.8
96.08929	1.1
97.02881	16.1
97.06504	8.2
97.10151	13.1
99.04445	1.9
99.08067	10.2
103.03931	1.0
103.05453	2.0
105.07005	54.6
107.04964	2.8
107.08570	64.4
109.02905	1.4
109.06496	8.9
109.10134	82.9
111.08068	10.2
113.09664	1.0
115.03905	16.8
115.04665	1.2
115.05518	1.7
117.06983	10.1
119.08560	57.5
121.06466	5.9
121.10117	48.2
123.08030	8.7
123.11684	38.0
125.05956	1.1
125.09611	23.3
127.07577	1.2
127.11209	3.0
128.06274	2.2
129.06979	7.3
130.07808	1.2
131.05011	1.0
131.08537	28.2
133.04945	4.7
133.06500	4.1
133.10100	46.9
135.08032	6.9
135.11661	26.9
137.05800	1.0
137.09584	16.7
137.13268	3.8
139.07536	1.8
139.11206	3.0
141.06998	2.9
142.07791	3.1
143.08533	16.3
143.10568	5.5
144.09360	1.9
145.06502	2.9
145.10089	39.5
147.08092	4.2
147.11652	32.3
149.06046	1.3
149.09557	7.2
149.13222	20.7
151.07565	2.3
151.11148	6.3
153.06888	1.0
153.09097	1.4
153.12773	1.9
155.08504	5.8
156.09344	3.0
157.10092	22.5
158.10902	2.1
159.08080	3.0
159.11658	39.6
161.09598	4.9
161.13219	33.0
163.07507	5.4
163.11226	4.5
163.14784	9.0
165.09180	2.9
165.12785	2.3
167.08589	2.0
167.10677	2.3
167.14284	1.1
169.10089	9.8
170.10947	1.7
171.08141	1.1
171.11659	16.9
173.09669	3.7
173.13228	25.7
175.11217	4.4
175.14793	16.0
177.09149	3.6
177.12675	5.9
177.16348	8.0
179.08601	1.2
179.10724	2.7
179.14322	2.6
181.10197	3.4
183.11615	8.7
184.12534	1.3
185.09665	1.9
185.13235	17.1
187.11256	3.5
187.14774	21.0
187.16299	1.6
189.09158	1.7
189.11296	1.6
189.12827	3.3
189.16341	13.9
191.10713	3.7
191.14267	2.4
191.17879	5.2
193.12254	2.4
195.11743	4.0
196.12476	1.3
197.13214	9.1
199.11261	2.5
199.14783	14.4
201.12801	3.1
201.16338	21.7
203.10680	1.8
203.14240	5.4
203.17940	6.2
205.12141	2.1
205.15869	6.7
207.11818	1.9
207.17509	3.6
209.13234	5.4
211.11288	1.1
211.14742	8.9
213.12822	2.3
213.16376	10.9
215.14299	7.2
215.17906	5.6
217.12283	2.2
217.15945	3.5
217.19586	2.1
219.13872	2.9
219.17493	2.8
221.13348	2.0
221.15315	1.9
222.14139	1.4
223.14818	3.9
223.16890	1.0
225.16478	4.1
227.14421	1.9
227.17812	5.3
229.12303	1.8
229.15953	4.1
229.19560	1.3
231.13815	4.6
231.17497	3.1
233.15355	4.8
233.18951	1.4
235.14899	1.6
237.16524	4.3
239.17944	5.4
241.12355	1.0
241.15814	1.7
241.19495	8.3
243.13838	2.2
243.17476	3.4
243.21103	2.2
245.15338	5.2
247.16930	9.3
249.16409	1.6
251.17999	4.1
253.15833	1.2
253.19501	8.1
255.17590	1.6
255.21208	3.0
257.15417	2.0
257.19067	1.6
257.22662	1.1
259.20514	8.2
261.18661	1.5
265.19550	3.0
267.17542	1.5
267.21130	3.8
269.19064	3.1
269.22528	1.3
271.16971	2.4
271.20593	2.8
273.18454	5.2
279.21146	3.4
281.19400	1.5
281.22723	5.0
283.20633	2.2
283.24136	2.0
285.18716	1.4
285.22101	1.6
291.21146	1.7
293.22763	3.9
295.20679	2.4
295.24194	2.2
297.22174	3.7
299.20273	2.1
299.23819	6.3
301.21716	2.7
307.20880	2.0
307.24139	2.3
309.22189	5.0
311.20090	2.2
311.23801	10.3
313.21774	6.1
313.25006	1.7
315.19592	2.1
315.23151	2.2
323.23648	1.5
325.21756	1.4
325.25031	1.9
327.23138	6.2
329.24899	5.4
331.23026	1.7
335.23599	1.5
335.27463	1.2
337.21640	1.7
339.23233	2.4
339.27005	2.6
347.26437	1.2
349.25296	2.0
349.28903	1.4
353.24808	3.5
355.26447	3.6
357.24655	1.8
359.26251	1.2
365.28668	1.3
367.26172	7.2
367.29065	0.9
371.25903	2.7
377.28482	3.9
379.26343	1.9
383.29822	1.5
385.27444	3.4
389.27081	1.2
389.31717	1.5
393.31558	2.4
395.29382	13.5
395.33395	1.2
397.27554	2.1
403.28558	5.7
405.31320	5.3
405.44772	1.0
407.27856	3.0
407.32959	13.4
411.32611	1.9
413.30783	3.5
415.28546	3.6
417.31372	8.8
423.32425	14.3
425.33984	17.7
435.32510	30.8
436.32999	1.5
441.26553	3.2
441.33762	5.4
453.33539	45.6
454.34015	1.7
459.27188	6.2
471.34595	39.7
472.34854	2.0
489.35635	24.9
489.42386	1.5
490.35837	1.4
549.35663	2.2
565.02551	1.2
567.37067	1.9
585.38202	4.1
603.38812	40.6
604.40039	1.7
621.40198	42.1
622.40509	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3985
Annotation	Cimigenol 3-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
53.03932	1.0
55.01867	3.2
55.05500	6.0
57.03192	0.8
57.03427	9.5
57.07050	2.8
59.04978	2.4
61.02657	0.6
61.02917	9.0
65.03922	1.5
67.05492	13.5
69.07053	8.4
71.01330	2.3
71.04636	0.9
71.04978	8.2
73.02905	66.0
74.41322	0.6
79.05482	10.1
81.03410	5.1
81.07041	20.7
83.04967	30.4
83.08601	4.9
85.02886	9.0
85.06525	1.6
87.04430	1.5
91.05462	10.0
93.07026	22.2
94.07401	0.6
95.04966	7.0
95.08591	32.0
97.02864	6.3
97.06508	3.1
97.10160	3.1
99.04459	1.2
99.08078	1.9
105.07023	17.7
107.04958	1.7
107.08574	27.6
109.06480	4.2
109.10139	24.5
111.04412	1.1
111.08076	3.5
111.11676	0.7
113.06007	0.8
113.09609	3.5
115.03912	9.9
117.07001	3.8
119.08559	24.9
121.06501	2.7
121.09244	1.5
121.10124	25.0
122.07299	0.9
123.08047	17.8
123.11674	10.7
125.06026	0.8
125.09605	4.3
127.11167	2.6
129.06995	3.0
131.08531	9.7
131.36258	0.6
133.04956	1.9
133.06514	0.9
133.10107	22.0
133.11113	1.1
135.08005	3.3
135.11662	19.5
136.11980	0.9
137.09592	96.6
137.13205	4.6
138.09952	0.9
139.11153	1.8
141.06982	0.9
141.09064	6.1
141.12753	0.9
142.07765	0.8
143.08536	6.1
143.10599	1.4
143.41264	0.7
145.06525	1.3
145.10094	13.9
147.04300	0.8
147.07999	2.0
147.11653	13.6
149.09593	3.0
149.13252	9.2
151.07501	1.0
151.11176	2.3
151.14777	0.7
153.09038	1.2
153.12770	0.9
155.08554	2.8
157.10107	8.4
159.07988	2.0
159.10179	2.1
159.11659	15.6
160.11993	0.7
161.09602	3.1
161.13235	11.3
163.07541	1.1
163.11157	2.9
163.14816	5.3
165.09135	1.9
165.12753	1.3
169.10207	3.4
171.11676	6.9
172.12453	0.7
173.09593	2.4
173.13229	9.7
175.11113	3.8
175.14784	5.6
177.09096	2.0
177.12755	2.6
177.16302	3.4
179.10625	3.7
181.10168	1.3
181.12141	0.7
183.11650	3.6
185.09627	1.0
185.13208	5.3
187.11218	1.4
187.14786	6.6
189.12727	1.8
189.16304	6.3
191.10721	2.1
191.14336	1.1
191.17906	4.8
193.12273	1.9
195.11664	2.3
197.13277	3.3
198.13815	0.8
199.10983	1.0
199.14799	5.4
201.12677	2.0
201.16382	6.7
203.10666	0.9
203.14351	2.3
203.17885	3.7
205.12247	1.4
205.15892	1.5
205.19493	0.9
207.13667	0.8
209.13278	1.5
211.14789	3.4
213.12749	1.3
213.16345	4.1
215.10504	0.8
215.14333	1.3
215.17776	3.1
217.12143	0.7
217.15894	1.4
217.19565	1.1
219.13831	2.3
219.17419	1.0
221.15431	0.9
223.14902	1.2
225.16397	1.6
227.14331	1.6
227.17915	2.1
229.12254	1.0
229.15904	1.6
229.19496	1.3
231.13748	3.3
233.15312	1.0
237.16562	1.0
239.17897	2.0
241.15958	1.4
241.19576	1.7
243.13652	0.9
243.17377	1.6
243.21185	0.9
245.15376	2.9
247.13406	0.8
247.16847	1.5
249.14806	1.0
251.18088	0.8
253.19553	1.4
255.21013	2.3
257.15262	1.0
257.19067	0.9
262.47562	0.8
263.16309	1.0
267.21088	2.0
269.19028	0.7
271.16946	1.1
273.18469	1.2
279.21005	1.0
281.19223	1.2
281.22543	1.3
287.19861	0.8
293.22656	2.7
295.20621	0.8
295.24149	1.8
297.22009	1.5
299.20142	1.4
301.21643	0.8
309.22110	1.3
311.23810	2.6
313.21597	2.0
313.25385	1.8
315.23288	1.8
317.21149	1.3
325.22040	0.7
325.25519	0.8
327.23096	0.9
329.24670	1.4
337.25394	0.8
339.23178	1.8
339.26886	1.2
341.24765	1.0
347.27087	0.8
349.25262	1.2
353.28598	0.9
357.24176	13.0
365.28516	2.2
367.26425	1.7
375.25342	1.1
377.28345	0.8
383.29327	4.9
393.31613	1.7
395.29382	2.8
397.27365	0.7
401.30469	1.8
407.32993	1.5
411.32498	1.7
413.30505	2.3
417.31750	1.6
423.32733	2.4
425.34451	0.8
435.32541	11.7
441.33701	1.5
453.33566	21.9
454.34131	1.7
455.34848	1.0
459.27704	1.4
471.34601	20.1
472.35181	1.2
489.35699	23.5
490.36420	1.2
531.33606	1.1
533.34979	1.9
585.37817	6.5
603.38849	54.9
604.39197	4.4
621.39935	100.0
622.40094	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	621.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57037	0.8
53.03940	1.0
55.01857	3.0
55.05503	5.3
57.03427	8.1
57.07068	1.8
59.04988	2.5
61.02914	8.3
63.03808	0.7
65.03944	1.3
67.05500	8.2
69.07050	6.8
71.01350	1.7
71.04986	5.0
71.08624	0.8
72.30136	0.8
73.02904	59.5
79.05478	6.2
81.03406	3.3
81.07037	14.9
83.04966	32.1
83.08599	3.1
85.02891	7.2
85.06551	1.5
85.45591	0.7
86.25684	0.7
87.04465	1.5
91.05459	7.8
93.07027	15.5
93.07578	1.3
95.04971	5.7
95.08590	27.0
96.63523	0.6
97.02879	5.1
97.06519	2.4
97.10163	1.6
99.08109	1.2
105.07008	14.1
107.04953	1.4
107.08578	19.8
109.06526	3.2
109.10143	16.5
111.04400	0.7
111.08081	2.3
113.05991	1.1
113.09639	3.7
115.03915	7.5
116.81036	0.9
117.07040	2.2
119.08562	19.5
121.06519	3.4
121.10127	16.0
122.07286	1.6
123.04390	1.0
123.08054	16.1
123.08880	1.5
123.11691	7.1
125.09608	4.9
127.11229	1.2
129.07010	2.4
131.08537	6.6
133.04944	1.4
133.06476	1.6
133.10103	12.5
135.08058	2.6
135.11676	19.1
137.09590	92.4
137.13188	3.7
138.09964	1.3
139.07564	1.1
139.11142	1.7
141.07031	1.1
141.09076	6.5
143.08534	5.5
145.06480	1.8
145.10103	8.8
147.08052	1.5
147.11656	8.4
149.09604	1.8
149.13254	5.9
151.11197	1.0
155.08540	1.7
156.09293	1.2
157.10121	5.0
159.08054	2.0
159.10191	2.3
159.11700	7.2
161.09621	2.2
161.13197	5.8
163.11180	1.8
163.14830	3.1
165.12767	1.0
169.10144	1.5
170.10866	1.0
171.07974	0.7
171.11691	5.6
173.09567	2.2
173.13263	5.3
175.11224	2.8
175.14737	4.3
177.09113	1.0
177.12767	2.8
177.16368	2.8
179.10675	3.6
182.30229	0.8
183.11687	4.2
185.13174	4.2
185.95798	0.7
187.11183	1.6
187.14789	6.4
189.12714	1.7
189.16336	4.8
190.48776	0.7
191.10675	1.3
191.14267	0.8
191.17903	5.5
193.12228	1.4
195.11717	1.4
197.13255	2.6
199.14861	3.1
201.09198	1.1
201.12740	2.2
201.16328	4.1
203.14398	1.6
203.17964	3.3
205.12306	1.0
207.13660	1.0
209.13326	1.7
211.14938	1.4
213.16473	2.3
215.14407	1.2
215.17944	1.1
217.15956	1.0
217.19513	1.1
219.13875	1.1
223.14867	2.0
225.16467	1.0
227.17938	1.5
229.15822	0.9
229.19576	1.0
231.13803	1.7
237.16400	1.3
241.15829	1.3
245.15366	2.1
253.19591	1.0
255.21143	2.4
257.15460	0.9
259.17059	1.1
262.78018	0.7
267.21094	1.0
269.22672	0.8
279.20889	1.0
281.22833	1.8
282.92871	0.9
293.22766	3.5
295.24301	1.0
297.22073	1.3
301.14337	1.0
311.23669	4.2
313.21609	1.3
313.25031	1.2
315.23297	1.5
327.23096	0.9
329.24814	1.8
331.26178	0.8
339.23282	0.8
347.27271	0.9
357.24170	14.0
357.28186	1.1
365.28378	2.0
367.26437	1.2
383.29379	6.0
401.30670	1.0
407.33298	0.9
411.32864	1.2
413.30508	1.0
417.31396	1.5
423.32480	1.0
425.33981	1.5
435.32471	13.4
436.32907	0.9
453.33633	20.5
454.34409	0.8
459.27316	0.9
471.34705	11.0
489.35785	5.9
531.33331	2.0
533.34735	2.9
564.77216	0.9
585.29657	1.4
585.37823	8.0
603.38849	54.5
604.39172	2.6
621.39948	100.0
622.40387	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	621.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01861	0.4
55.05490	1.4
55.78484	0.3
57.03417	0.5
57.07060	0.6
65.03933	1.6
67.05496	2.3
69.03403	0.5
69.07059	1.7
71.04960	0.5
71.79760	0.4
71.80117	0.5
73.06544	0.6
79.05473	2.1
81.03397	1.0
81.07044	3.8
83.08595	0.9
85.06535	0.6
91.04911	0.6
91.05468	11.6
93.07031	3.5
95.04964	1.9
95.08598	4.3
97.06493	0.7
97.10162	0.4
105.07008	3.4
107.04926	0.3
107.08573	5.0
109.06501	0.5
109.10132	2.8
111.08086	0.4
117.06985	1.0
119.04922	24.4
119.08560	4.9
120.05259	0.4
121.06495	0.7
121.10123	4.7
121.46162	0.3
123.04413	4.3
123.08035	0.7
123.11700	1.4
125.09567	0.5
129.06953	0.7
131.08548	3.6
133.06482	0.3
133.10110	5.5
135.08049	0.5
135.11661	2.7
137.09547	0.4
137.13231	0.6
143.08559	0.7
145.10085	4.3
147.04384	100.0
147.11664	3.3
148.04715	2.0
149.02306	2.2
149.09610	0.7
149.13237	1.8
151.11191	0.3
157.10089	0.8
159.11678	3.7
161.13220	2.8
163.11095	0.6
163.14795	0.9
165.05455	15.4
166.05811	0.3
166.49503	0.3
169.10005	0.5
171.11678	0.9
173.13222	3.0
175.14798	3.5
177.12816	0.8
177.16354	4.4
183.11661	0.4
185.13260	1.0
187.14789	6.5
187.16344	0.6
189.16281	1.7
191.14282	0.7
191.17938	0.8
193.04895	1.0
199.14806	0.7
201.16376	1.0
203.17918	1.0
205.13933	0.6
205.15845	10.4
207.17368	0.3
211.14703	0.3
213.16222	0.4
215.14211	0.4
215.18050	0.7
217.15659	0.4
219.17451	0.3
221.15273	0.5
227.17862	0.5
231.17133	0.3
233.15326	0.8
379.30469	0.5
393.31403	7.1
394.31595	0.5
411.32474	4.2
421.30908	0.6
439.32019	1.4
457.33121	8.4
458.33057	0.8
498.35443	0.6
580.30078	0.4
621.15643	0.9
621.40491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3778
Annotation	Coccinone C
Peak:m/z	Relative Intensity
55.05495	2.2
57.03424	0.6
57.07043	1.0
58.94720	0.5
65.03930	2.3
67.05492	3.7
69.03394	0.6
69.07047	2.7
71.04990	0.5
79.05481	3.3
81.00758	0.5
81.03389	0.5
81.07041	6.5
83.08600	3.7
85.06527	2.6
88.66383	0.5
91.05470	18.3
93.07027	6.5
93.82522	0.5
95.04923	0.9
95.08598	9.7
97.10143	1.2
98.20724	1.0
105.07020	8.7
107.08578	12.9
109.06510	0.6
109.10144	8.7
117.06993	1.7
119.04926	33.5
119.08562	11.2
121.06538	0.8
121.10125	12.7
123.11692	5.4
129.06956	1.1
131.08539	3.6
133.06398	0.5
133.10114	10.8
135.01007	0.5
135.11670	13.9
137.13242	1.4
143.08549	1.5
145.10109	3.8
147.04385	100.0
147.11671	8.0
148.04735	2.0
149.13232	9.4
155.08478	0.6
157.10106	3.0
159.11673	4.6
161.13205	6.4
163.14813	4.7
165.05450	4.9
169.10155	1.0
171.11649	3.5
173.09604	0.6
173.13258	2.7
175.14786	6.2
177.12718	2.1
177.16364	20.5
179.27876	0.5
183.11665	2.2
185.13251	4.5
187.11176	0.6
187.14818	3.6
189.12706	2.1
189.16357	14.8
191.14264	0.7
191.17923	5.8
195.13725	0.7
197.13246	1.4
199.14810	1.8
201.12709	1.0
201.16316	2.2
203.14352	0.8
203.17932	14.2
205.15948	0.9
205.19476	2.0
207.17494	0.6
209.13327	0.6
211.14745	0.8
213.16425	1.0
215.14279	2.7
215.17981	1.0
217.15851	0.8
217.19461	5.1
219.13809	1.1
223.13156	3.5
225.16396	0.6
229.15897	0.7
231.13750	0.5
233.15291	0.6
235.13135	0.7
239.17894	0.6
247.13814	0.5
257.15298	0.6
257.18713	0.5
261.14923	1.7
263.16345	0.7
265.19250	0.6
275.16479	0.8
329.21082	0.8
348.60559	0.5
369.24243	0.5
375.30304	1.1
393.31439	3.2
409.30685	0.6
411.32840	0.8
421.31033	3.6
422.31546	0.6
424.85922	0.5
427.32181	1.2
439.32001	21.7
440.32288	1.1
457.32990	1.8
621.40656	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2695
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.03928	0.2
55.01851	0.2
55.05495	0.6
64.41571	0.2
67.05495	1.3
69.07063	0.4
71.79191	0.3
79.05472	0.9
81.03407	0.3
81.07038	1.5
83.04964	0.4
83.08585	0.5
91.05460	0.9
93.07021	1.0
95.04959	0.6
95.08592	0.7
97.06483	0.3
97.10132	0.4
105.07018	1.4
107.08563	0.5
109.10140	0.6
117.07023	0.5
119.08559	0.9
121.10092	0.5
123.08082	0.2
125.09554	0.3
127.94746	0.2
129.06990	0.3
131.08591	0.5
133.10101	0.6
135.48462	0.2
141.06908	0.3
143.08513	0.5
145.10066	1.0
147.11621	0.4
154.07799	0.2
155.08582	0.3
157.10056	0.3
159.11719	0.3
163.81645	0.2
181.10297	0.3
183.11743	0.2
195.11693	0.3
207.09090	0.3
207.11565	0.2
209.10660	0.4
210.11360	0.2
221.10713	0.3
227.12848	0.2
235.12370	0.2
251.11819	0.2
273.18396	0.3
276.46472	0.2
291.19492	0.5
374.15259	0.3
375.16028	0.6
376.17419	0.3
386.15945	0.3
387.16101	0.5
388.17020	0.8
389.17603	2.5
390.18393	1.0
391.18979	0.7
401.17831	1.1
402.13812	0.3
402.18793	1.3
403.19440	4.0
404.20087	2.1
405.20630	2.3
415.19205	0.6
416.15338	1.3
416.20786	0.5
417.17007	3.3
417.20993	2.5
418.17624	0.9
418.21674	0.9
419.22379	7.2
420.22742	0.8
429.16745	0.6
429.21548	0.4
430.17123	1.4
431.18140	7.0
432.19046	2.7
433.19986	2.3
436.61389	0.3
443.18512	0.6
444.19406	0.7
445.20047	6.0
446.20871	6.3
447.21722	9.9
448.22260	0.9
458.20901	0.3
459.16907	0.6
459.21719	2.5
460.18542	0.8
460.23425	0.4
461.19241	1.3
463.21530	0.7
473.19565	1.2
473.24069	0.7
474.20212	5.6
474.25955	0.3
475.21216	7.7
476.21799	0.8
487.21350	3.2
488.21878	0.9
490.23776	0.3
491.19940	1.4
501.22961	2.0
502.23370	0.4
505.21182	0.4
505.25998	0.9
518.23151	0.6
519.20679	0.8
529.22205	0.6
533.25433	16.1
534.25629	1.0
546.22852	0.4
561.24884	22.6
562.25317	1.9
565.27655	0.3
589.24615	0.9
593.27435	3.7
603.41034	0.3
621.26978	100.0
622.27301	9.8
648.25378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01861	1.2
55.05258	0.7
55.05502	6.3
57.03155	0.5
57.03429	8.9
57.07048	0.9
59.05006	3.0
59.05243	0.6
61.02917	3.8
65.03915	1.8
67.05495	56.5
68.05822	0.6
69.03407	2.5
69.07053	9.5
71.04976	4.8
71.79827	1.0
73.02900	2.3
79.05480	11.0
81.03395	3.1
81.07044	34.1
82.07404	0.5
83.04964	3.3
83.08604	9.6
85.02891	7.9
85.06532	3.1
90.85929	0.7
91.03944	2.2
91.05462	9.2
92.05799	0.6
93.07030	22.3
94.07330	0.7
95.04943	3.3
95.08588	13.4
97.02866	3.6
97.06535	4.3
97.10146	1.8
99.04442	1.1
99.08073	2.0
105.07008	4.6
107.04926	0.9
107.08578	16.4
108.08910	1.5
109.02866	1.3
109.06508	1.5
109.10143	46.0
110.10469	0.9
111.08051	4.2
113.43455	0.5
115.03880	0.5
117.06995	3.8
119.08556	6.9
120.08930	1.0
121.06493	0.8
121.10125	9.5
122.10457	1.3
123.08020	0.6
123.11702	1.6
125.09579	1.9
127.03908	1.2
127.11179	0.6
129.05440	0.6
129.06976	0.6
131.08522	4.2
132.08878	0.7
133.10114	5.5
134.10493	0.6
135.08038	1.6
135.11670	5.8
136.12010	0.7
137.09563	3.8
139.11169	1.1
145.10124	2.1
147.04413	1.3
147.07990	0.6
147.11662	2.4
148.12004	0.7
149.02319	1.8
149.09599	1.5
149.13248	12.3
150.13544	0.7
155.10651	1.9
157.10110	1.1
159.11667	7.3
161.13269	1.3
163.11130	0.7
169.10043	0.6
171.11650	0.9
173.11716	12.7
173.13123	0.9
175.14833	0.6
177.12726	2.2
187.14714	1.1
187.61588	0.5
189.16437	1.3
190.16803	0.6
191.17949	2.3
192.18300	1.0
193.04889	1.0
195.12151	0.6
195.13745	3.8
199.14850	0.9
201.16336	0.9
203.18004	0.5
211.13264	0.9
213.14709	0.6
227.12733	1.1
229.14316	36.5
235.33731	0.6
269.17432	31.6
274.06772	0.6
311.94489	0.6
330.81995	0.6
417.66064	0.6
422.34921	2.3
423.27365	100.0
424.27786	1.8
438.34225	0.9
440.35968	4.0
456.35672	1.4
473.36176	1.1
474.36493	2.4
586.81537	0.7
602.40765	1.2
619.41742	0.7
620.42480	6.6
621.32153	1.1
621.40918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2696
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.28675	0.2
62.13776	0.2
66.00092	0.2
66.04935	0.2
71.06020	0.5
71.51446	0.2
88.69866	0.2
89.28783	0.2
96.47801	0.2
105.95512	0.2
116.32519	0.2
142.93279	0.2
198.28760	0.3
209.10849	0.4
230.07278	0.2
234.42599	0.2
288.60330	0.2
289.06384	0.3
312.07227	0.2
375.16028	0.5
376.17859	0.4
387.16107	0.6
388.16870	0.9
389.17508	2.0
390.18390	1.1
391.19312	0.7
392.20102	0.3
400.17267	0.3
401.17569	0.6
402.18433	0.9
403.14661	0.5
403.19421	3.6
404.19934	2.5
405.20718	2.3
415.19357	0.7
416.15973	0.7
416.20270	0.7
417.16989	2.6
417.20963	2.1
418.16934	1.1
418.22314	0.4
419.22247	6.1
420.23022	0.4
430.17487	0.6
431.18188	6.3
432.19009	2.0
433.20126	2.1
443.18762	0.6
444.19641	0.4
445.19998	5.5
446.20959	5.1
447.21664	7.4
448.22574	0.4
457.20020	0.5
458.21161	0.3
459.22708	2.3
460.22568	0.9
461.19525	0.8
463.21555	0.6
473.19479	1.0
474.20142	4.6
475.21216	6.8
476.22137	0.3
477.22583	0.5
478.23431	0.4
487.21326	2.7
488.22214	0.5
491.20981	0.9
501.23068	1.9
505.25705	0.9
518.22754	0.6
519.20081	0.5
529.21924	0.6
533.25446	15.0
534.25458	0.3
546.22552	0.5
561.24921	21.0
562.25208	1.0
565.28516	0.4
589.24542	1.0
593.27600	3.4
621.26984	100.0
622.27307	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	621.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53944	0.2
71.24547	0.6
105.07000	0.3
123.43755	0.3
130.06541	0.3
130.63023	0.2
137.94656	0.2
189.26225	0.2
195.09026	0.3
220.09871	0.5
223.12215	0.3
235.12187	0.5
249.10265	0.6
255.04039	0.2
271.49899	0.3
298.13086	0.4
338.12805	0.4
340.14337	0.3
372.14590	0.2
373.14856	0.3
374.15427	0.4
375.15973	1.1
376.17166	0.5
386.16455	0.4
387.16132	1.0
388.16791	1.7
389.17477	3.7
390.18433	2.0
391.19049	0.9
399.16122	0.3
401.13168	0.3
401.17612	1.1
402.14389	0.7
402.18890	1.8
403.19370	6.0
404.20071	3.3
405.20773	2.1
413.17584	0.3
414.18564	0.3
415.19086	0.9
416.15298	1.8
416.20309	1.0
417.16901	3.9
417.20819	3.3
418.17139	0.7
418.21457	1.2
419.22293	8.7
420.22928	1.0
429.16922	1.0
430.17816	1.5
430.22443	0.6
431.18036	8.8
432.18845	3.0
433.20093	2.2
441.16757	0.3
443.18564	1.1
444.19296	0.9
445.20102	8.2
445.25345	0.4
446.20938	5.4
447.21765	11.4
448.22736	0.5
457.20236	0.6
458.21225	0.7
459.17627	1.9
459.22021	2.6
460.18805	1.1
461.19604	1.4
462.19946	0.4
463.21207	0.3
473.19473	1.4
473.23730	1.1
474.20370	10.7
475.21228	17.4
476.21503	1.2
477.23129	0.4
478.23395	0.4
487.21295	4.2
488.22031	1.4
489.22815	0.4
490.23602	0.3
491.20898	1.0
501.22711	2.7
502.23486	0.8
503.20456	0.5
504.21323	0.3
505.26538	1.3
517.21930	0.5
518.23016	0.9
519.19550	0.2
519.23853	0.4
520.24719	0.6
529.22363	1.0
533.25391	12.3
534.25476	0.8
546.22351	0.9
561.24872	74.6
562.25262	4.2
589.24316	2.0
593.27448	2.8
594.27252	0.3
621.26965	100.0
622.27264	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	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07073	0.8
67.05491	1.4
69.07057	0.7
69.49684	2.9
69.50108	3.8
79.05486	0.9
81.07050	2.3
93.07053	1.2
95.08629	1.2
102.07278	0.6
105.06889	0.7
109.10148	0.7
121.91543	0.6
122.07764	0.7
133.10164	0.8
136.07890	0.6
159.84143	0.6
162.38565	0.7
192.43228	0.6
388.16821	1.1
389.17755	1.9
390.18158	1.0
401.17804	0.8
402.18567	0.8
403.19412	2.8
404.20123	1.9
405.20801	1.4
415.19327	0.9
416.19943	0.9
417.16418	1.5
417.21390	1.1
418.21811	1.0
419.22226	4.3
419.75580	0.7
429.21295	0.7
430.17276	1.0
431.18463	2.6
431.23145	1.1
432.19281	0.8
433.20123	0.9
445.20590	4.0
446.20764	2.9
447.21890	5.5
459.18091	2.5
461.19833	2.0
473.23868	1.2
474.20306	6.9
475.21207	12.1
476.21881	1.0
487.21298	3.5
488.22330	0.9
501.22879	2.6
505.26511	0.8
529.22601	1.5
533.25433	6.7
546.23419	0.9
561.24841	33.1
562.25208	2.1
589.24176	1.2
621.26978	100.0
622.27039	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	619.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.05495	7.0
57.03418	4.1
57.07053	2.6
59.96933	0.7
60.45367	0.8
61.02896	1.3
61.28572	0.8
65.03918	1.5
67.05491	14.2
69.03409	3.4
69.07057	18.5
70.32066	3.8
71.04607	1.2
71.04982	19.5
75.04458	0.9
79.05482	8.9
81.03396	1.4
81.06590	1.7
81.07037	23.4
83.04965	4.8
83.08593	6.2
85.02890	20.2
85.06522	1.6
91.05461	10.7
93.06477	0.8
93.07027	21.1
93.07599	0.7
94.61703	0.8
95.04953	3.8
95.08591	27.5
96.08887	1.2
97.02869	2.3
97.06493	3.2
97.10159	4.7
99.04375	1.4
99.08081	1.4
105.07010	16.1
107.08573	31.8
109.06490	2.0
109.10133	38.1
110.10475	1.3
111.04388	2.2
111.08048	2.2
111.11582	0.9
117.06998	3.8
119.04922	1.8
119.08551	21.1
121.06445	1.7
121.09240	1.3
121.10123	25.8
123.08027	1.5
123.11687	16.6
125.09609	5.1
127.11234	1.4
129.05453	3.3
129.06982	1.3
131.08563	6.1
133.10101	17.7
135.01266	1.0
135.08035	3.3
135.11664	23.5
135.12627	1.9
137.09602	2.5
137.13231	6.6
139.07513	1.7
139.11198	1.5
143.08514	4.2
143.10622	1.3
145.06473	1.3
145.10120	12.0
147.04390	8.4
147.07999	1.4
147.11665	13.3
149.09602	3.0
149.13226	8.9
151.07501	1.1
151.11188	1.7
151.14690	1.2
153.12727	1.6
155.08609	1.2
157.10104	5.8
159.11661	12.4
161.09560	2.0
161.13217	10.0
163.07555	3.2
163.11177	1.7
163.14767	8.0
165.05504	2.4
165.09026	1.5
165.12634	0.9
165.16295	1.5
167.14233	1.1
169.10042	1.5
171.11676	4.6
173.09563	1.1
173.13194	8.9
175.11200	1.7
175.14827	6.7
177.09038	1.5
177.12715	1.7
177.16382	2.5
179.10614	1.4
179.14310	1.0
183.11658	1.8
185.13222	4.1
187.14774	9.5
189.09094	1.1
189.12785	1.4
189.16304	8.0
191.10645	1.8
191.17912	9.4
197.13232	2.3
199.14766	3.3
201.12776	1.2
201.16339	4.1
203.17967	6.5
207.17320	1.9
209.13164	1.7
211.14778	1.5
213.16328	3.5
215.14311	1.2
215.17987	2.1
217.15758	1.9
217.19397	2.1
219.13806	2.1
229.15878	1.6
229.19501	1.6
231.13718	1.5
233.15416	2.0
239.17818	1.1
241.19411	2.0
243.20824	1.1
245.15305	2.2
247.16902	2.9
255.21072	3.1
267.20990	1.2
283.14877	0.9
301.14389	1.3
313.21640	1.1
313.25076	1.5
315.22931	2.1
327.26563	1.1
357.24234	1.9
369.27802	8.3
387.28876	1.6
391.28354	2.6
395.32990	3.2
409.34686	1.6
419.32947	3.5
421.34671	2.4
425.33844	1.4
437.34082	9.5
439.35748	6.7
440.36136	1.4
455.35178	27.3
456.35770	1.4
473.36182	100.0
474.36377	5.8
601.41248	1.5
601.84576	1.2
619.32947	1.3
619.41803	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	619.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01863	1.6
55.05500	5.4
57.03427	12.1
57.07069	1.4
59.05000	1.4
61.02912	2.2
64.49831	0.6
65.03920	0.9
66.67568	0.6
67.05494	7.8
69.03424	3.5
69.07051	7.4
69.48364	4.5
69.48792	2.3
71.01345	0.8
71.04980	99.7
72.05308	0.7
73.02900	2.5
75.04472	5.7
77.03973	0.5
79.05479	8.4
81.03406	2.0
81.07043	19.2
83.04967	7.5
83.08604	3.1
85.02891	100.0
85.06548	1.2
86.03218	0.9
87.04438	3.5
91.05458	9.6
93.07027	15.9
93.07571	1.1
95.04958	3.6
95.08590	18.7
97.02871	2.2
97.06516	2.3
97.10157	2.2
99.04437	1.2
99.08076	6.7
101.06072	0.6
103.05437	1.1
105.07017	17.9
105.07715	1.3
107.08573	27.3
108.08931	0.6
109.02838	1.1
109.06499	3.7
109.10139	16.4
111.04429	4.8
111.08075	1.7
115.05447	0.7
117.07009	2.7
119.04942	0.7
119.08558	15.2
119.09389	0.9
121.06507	1.7
121.10123	21.9
123.08046	2.0
123.11691	8.6
125.05971	1.6
125.09607	9.8
127.03909	1.3
127.07570	2.9
127.11190	3.4
128.06242	1.2
129.05457	21.8
129.06981	1.7
131.08559	9.0
133.10109	15.9
135.08017	10.7
135.11678	8.5
137.09587	5.3
137.13264	1.0
139.11183	2.5
142.07774	1.5
143.08553	3.1
143.10684	2.7
144.09270	0.8
145.10095	18.6
146.40401	0.6
147.04407	1.4
147.06537	4.5
147.07953	0.9
147.11664	13.9
149.09590	14.5
149.13234	12.7
151.07562	0.7
151.11156	3.4
153.12895	0.7
157.10109	6.3
159.08041	0.7
159.11662	13.2
161.06004	0.7
161.09612	2.3
161.13232	16.7
163.11147	3.1
163.14841	2.3
165.12767	1.3
167.10715	1.2
167.14258	1.4
169.10106	1.5
171.11642	4.3
173.09598	0.7
173.13235	9.8
175.11168	1.5
175.14810	6.5
177.12753	1.3
177.16344	5.4
179.14316	1.2
183.11699	2.5
185.09525	0.8
185.13217	4.1
187.14757	7.7
189.05547	1.0
189.12703	1.7
189.16345	15.6
191.10751	0.7
191.14325	2.5
191.17905	6.9
193.15900	0.7
195.11665	0.7
197.13278	2.2
199.09644	2.2
199.14787	4.3
201.16351	5.7
203.14272	1.0
203.17889	2.9
205.15854	7.2
207.17401	6.0
209.13445	0.9
209.15352	1.9
211.14877	2.2
213.16313	5.6
215.14438	1.5
215.17929	4.8
217.10667	6.0
217.15862	10.6
217.19493	1.7
219.13751	0.7
219.17479	2.3
223.16881	0.7
225.16446	1.9
227.17973	1.5
228.48453	0.6
229.15962	1.7
229.19591	1.3
231.17421	8.0
233.15396	4.2
233.18991	2.4
235.14929	0.8
235.16879	3.4
237.16339	1.3
239.17899	1.0
241.19450	0.8
243.21014	1.2
249.18617	2.9
251.17993	0.9
253.19518	1.4
255.21223	1.5
257.19104	1.0
257.22742	0.8
259.20593	0.9
267.20956	0.8
269.19284	0.8
271.20401	0.9
273.22125	1.9
279.21121	0.8
281.22525	0.9
285.21884	0.9
293.22629	1.2
299.23752	2.6
301.14383	1.8
309.25732	1.0
313.25391	0.7
315.23181	0.8
321.25848	0.9
325.25314	1.0
331.26477	0.8
335.27002	0.9
339.26825	1.9
349.29019	1.2
351.26755	1.3
355.26102	0.7
357.27960	1.4
360.88916	0.7
365.28561	0.8
367.29926	1.9
379.29874	7.4
397.30914	12.5
401.32217	0.7
407.33090	4.8
409.34592	0.8
419.33066	9.6
421.34671	3.9
425.34021	10.6
435.32687	0.8
437.34113	27.7
438.34540	1.4
439.35678	6.3
455.35150	32.6
456.35577	1.7
457.36319	1.0
473.36154	14.4
531.36755	1.3
543.29785	0.9
547.37616	1.3
565.37836	0.9
583.39862	1.2
601.41162	8.5
619.41974	84.8
620.42523	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	619.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01863	2.6
55.05503	11.1
57.03424	11.3
57.07059	2.6
59.04991	2.1
61.02916	3.5
62.07121	1.0
65.03946	1.4
67.05496	18.3
67.45342	1.1
69.03416	8.1
69.07059	20.5
71.04982	66.5
73.02895	2.4
75.04469	3.5
76.94675	0.9
79.05477	13.0
81.03410	3.8
81.07043	35.1
83.04973	5.3
83.08604	6.4
85.02893	79.7
85.06543	1.3
87.04466	2.2
90.18622	1.0
91.05470	13.0
93.06425	1.1
93.07031	29.2
95.04936	4.8
95.08593	42.0
97.02892	5.4
97.06522	4.7
97.10181	5.9
98.20665	2.8
99.04440	1.7
99.08063	6.2
105.07010	26.9
107.08577	47.1
109.02837	1.5
109.06504	3.7
109.10143	50.9
111.04440	3.9
111.08088	3.6
111.11730	2.0
117.07020	3.7
119.08564	33.3
121.06522	1.8
121.10130	39.8
123.04399	1.7
123.08073	2.7
123.11684	21.1
125.09607	11.5
127.03894	1.2
127.07552	2.7
127.11199	4.3
129.05469	15.7
129.06987	1.9
131.08549	9.9
133.10109	30.2
135.08049	10.8
135.11674	33.4
137.09592	5.3
137.13232	6.5
139.07574	1.3
139.11252	2.3
141.06937	1.1
143.08545	6.3
143.10690	3.2
145.04945	2.6
145.10104	22.3
147.04465	1.9
147.06522	2.9
147.08075	2.4
147.11673	20.7
149.09578	13.2
149.13229	16.3
151.11191	4.3
151.14810	1.6
153.12798	1.7
155.08589	2.1
157.10106	8.0
157.11191	1.0
158.10858	1.3
159.11681	18.4
161.09714	2.3
161.13239	17.8
163.07513	2.7
163.11116	1.8
163.14809	9.5
165.09064	2.4
165.12750	2.3
167.10683	1.3
169.10161	2.6
171.11674	8.2
173.09602	1.4
173.13237	13.3
175.11188	2.4
175.14806	9.2
177.12762	2.7
177.16348	7.7
179.10693	2.0
179.14265	2.2
183.11729	3.0
185.13219	7.9
187.14824	12.9
189.09081	1.7
189.12788	1.4
189.16331	14.3
189.17754	1.1
191.10687	2.0
191.14337	2.1
191.17908	22.7
193.12299	1.3
193.19473	1.4
195.13863	0.9
197.13290	4.0
199.14830	6.8
200.15785	1.0
201.12811	1.1
201.16360	11.1
203.14372	2.4
203.17935	9.4
205.15883	3.1
205.19427	1.1
207.17374	5.4
209.15367	1.5
211.14899	3.5
213.16331	8.0
215.14372	2.0
215.17848	5.9
217.10678	2.3
217.15900	7.0
217.19571	3.8
219.13870	1.7
219.17490	2.2
223.14922	1.5
225.16478	2.5
227.18065	2.4
229.15987	2.7
229.19513	1.9
231.13887	1.5
231.17377	7.5
233.15344	4.7
233.19012	2.3
235.16956	2.7
239.17874	1.9
241.19566	1.3
243.21002	2.1
245.15353	1.7
245.19154	1.2
247.16977	2.9
249.18555	4.0
251.18176	1.0
253.19598	2.3
255.21162	2.9
257.18851	1.1
257.22775	1.2
259.17139	1.0
259.20480	1.3
265.19595	1.0
267.21146	2.1
269.22583	1.5
271.17041	1.1
271.20688	1.3
279.21146	1.2
285.21909	1.2
293.22702	1.4
295.24362	1.9
297.22195	1.5
297.25592	1.4
299.20023	1.5
299.23938	1.3
308.58646	1.0
309.25778	1.3
315.23398	2.4
323.27615	1.5
327.26761	1.5
335.27518	1.0
357.24255	2.1
357.28091	1.3
367.30219	1.5
369.27884	7.5
379.30032	3.5
387.29156	2.5
391.28418	1.5
395.33078	2.7
397.30869	6.2
399.29019	1.8
407.33139	3.6
409.34738	1.4
419.33035	5.9
421.34708	9.5
425.33884	5.6
431.37189	1.1
437.34134	25.2
438.34451	1.4
439.35645	20.2
455.35159	45.2
456.35623	1.5
457.36591	1.4
473.36224	100.0
474.36740	3.6
583.40076	1.6
601.41199	9.0
619.42004	56.0
620.42017	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	619.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03927	0.5
55.05495	1.2
65.03931	0.9
67.05485	1.7
69.07050	1.3
69.68948	2.2
69.69360	0.5
72.44730	0.3
79.05470	1.2
81.07047	2.7
83.08613	1.0
91.05465	9.2
93.07050	2.6
95.04950	4.3
95.08592	5.2
97.10115	0.3
103.05416	0.3
105.07036	2.5
107.04950	3.9
107.08572	4.7
109.10131	3.7
117.06999	0.6
118.05489	0.3
119.04927	22.1
119.08569	3.6
121.06497	3.6
121.10117	4.0
123.04412	20.2
123.11719	1.7
125.09525	0.4
127.84429	0.3
131.08540	1.2
133.10114	3.2
135.11690	2.7
136.83784	0.4
137.13382	0.3
143.08441	0.5
145.10170	1.9
147.04387	100.0
147.11646	2.3
148.04749	1.4
149.13232	2.2
157.10049	0.4
159.11671	1.5
161.13246	1.1
163.14801	1.0
165.05458	49.8
166.05786	0.7
171.11720	0.5
173.13229	1.0
175.14793	1.9
177.16379	3.2
181.12141	0.3
185.13223	0.5
187.14850	1.6
189.16357	2.5
191.17938	1.4
199.14716	0.4
201.16406	1.9
203.17926	8.5
204.18225	0.4
205.15855	5.5
213.16322	0.5
215.17906	1.5
217.19528	0.5
219.17464	0.7
235.16895	0.4
241.19609	0.5
248.48576	0.3
249.18417	1.6
261.18503	0.6
281.56952	0.3
318.34555	0.4
391.33267	0.7
409.34619	8.5
410.34830	0.5
425.34244	0.5
437.34076	1.9
447.33902	0.4
453.33444	0.5
455.35181	1.5
547.67725	0.4
619.37708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05503	4.4
57.07055	1.9
65.03924	2.1
67.05490	6.0
69.07058	6.9
77.03915	0.5
79.05479	4.8
81.03408	0.5
81.07044	12.1
82.02250	0.5
83.04987	0.5
83.08604	6.2
85.02924	0.6
91.04907	1.1
91.05466	18.1
93.07029	10.9
95.04936	1.6
95.08591	18.9
96.32063	0.5
97.10156	2.2
103.05413	0.5
104.42657	0.6
105.04431	0.6
105.07016	13.3
107.04910	0.7
107.08573	20.6
109.10142	15.7
117.06992	2.4
119.04925	31.9
119.07716	1.2
119.08562	19.9
121.10126	16.2
123.08011	0.9
123.11691	7.8
125.09621	0.7
129.06961	1.0
131.08551	5.7
133.10109	19.6
134.10451	0.8
135.11670	20.8
136.12004	0.8
137.13228	2.7
143.08531	2.3
145.10115	7.3
147.04387	100.0
147.11670	13.1
148.04730	3.2
149.13225	12.0
151.14769	1.0
157.10152	2.8
159.11649	6.5
161.13232	8.2
163.14783	7.7
165.05450	11.1
169.09987	1.0
171.11710	2.8
173.13188	4.6
175.13390	0.7
175.14809	7.8
175.16208	1.0
177.16364	23.5
178.16833	0.6
179.10606	1.0
183.11736	1.0
185.13237	2.9
187.14796	8.1
189.16357	13.9
191.17903	8.6
193.15878	0.8
197.13168	0.6
199.14780	2.3
201.16350	11.6
203.17921	34.9
204.18274	1.7
205.12125	0.6
205.15741	1.1
205.19556	1.8
211.14780	0.8
213.16383	2.9
215.17906	5.7
217.19502	4.2
225.16396	0.9
227.17921	1.8
229.19504	2.5
233.15218	1.6
235.16805	0.8
239.18002	0.8
241.19473	1.4
245.15283	0.7
247.16945	1.5
249.18704	0.8
255.21071	1.5
259.16827	2.9
261.18454	0.7
267.21121	1.1
269.22571	1.3
271.16895	0.7
273.18500	1.4
281.22620	2.6
299.19931	0.8
313.21457	0.7
327.23126	1.6
367.26358	1.3
391.33469	4.3
409.34656	2.0
419.32990	0.7
425.34348	0.6
437.34122	26.2
438.34537	2.2
455.35577	0.7
619.37762	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	619.3982
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05499	0.7
57.07053	0.4
58.25560	0.3
65.03928	1.2
67.05486	1.4
69.07057	1.8
69.72477	1.5
69.72881	0.4
79.05458	1.0
81.07041	2.9
83.08603	1.0
91.05464	11.5
93.07030	2.5
95.04956	0.9
95.08587	4.9
97.10149	0.5
105.07020	3.2
107.07903	0.4
107.08577	5.3
107.09235	0.5
109.06506	0.4
109.10130	3.5
113.46865	0.2
117.07010	0.4
119.04922	27.0
119.08540	3.6
120.05225	0.4
121.10119	4.6
123.04429	2.1
123.11666	1.3
131.08551	0.9
133.10095	3.5
135.08040	0.4
135.11665	2.1
137.13235	0.5
143.08580	0.4
145.10066	1.7
147.04384	100.0
147.11652	3.1
147.47112	0.2
148.04704	1.8
149.13225	2.4
157.10150	0.3
159.11627	1.4
161.13208	1.9
163.14825	1.6
165.05452	23.3
166.05867	0.3
171.11638	0.5
173.13205	0.5
175.14781	2.6
177.12645	0.3
177.16367	4.2
187.13329	0.4
187.14815	2.1
189.16350	3.5
191.14209	0.3
191.17871	1.4
201.16385	1.2
203.17924	10.1
204.18289	0.5
205.15860	8.4
205.19478	0.4
213.16356	0.5
215.17993	0.6
219.17430	0.4
224.48007	0.3
231.17430	0.6
235.16951	0.4
245.19098	0.3
247.42297	0.2
249.18488	2.3
259.16895	0.3
391.33377	0.4
393.31378	0.4
395.40411	0.3
409.34595	11.3
410.35004	0.6
437.34122	1.4
455.35095	1.6
463.71045	0.3
529.35040	0.7
539.35754	0.3
619.43011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06555	0.1
56.05011	0.2
57.05804	0.1
58.06305	0.1
58.06584	1.0
67.05472	0.1
68.05012	0.2
69.03409	0.1
69.05795	0.1
69.07049	0.1
70.06583	1.5
71.04970	0.1
71.07368	0.2
72.08141	1.8
74.22106	0.1
79.05482	0.2
81.07036	0.1
85.02900	0.1
86.09690	1.9
91.05437	0.8
95.08586	0.2
100.11229	0.2
103.05421	0.1
104.06246	0.2
105.07018	1.9
107.08571	0.1
109.06522	0.1
109.10123	0.1
114.12786	21.1
115.13103	0.1
117.06976	0.2
118.06516	0.2
119.08519	0.1
120.08102	0.9
121.10120	0.1
123.03201	0.1
131.04880	0.1
132.08055	0.8
133.08850	6.7
134.05991	2.6
134.07037	0.1
134.09633	0.9
135.06767	0.6
135.11679	0.1
138.12796	0.1
144.07976	0.1
146.09602	0.2
147.10342	0.1
148.11182	100.0
148.37181	0.1
149.11543	1.3
160.84557	0.1
174.09105	1.1
186.09120	0.5
203.11781	1.8
213.19627	1.0
241.19073	2.3
247.18027	7.2
275.17493	11.6
276.17758	0.2
316.20126	1.6
344.19638	5.3
345.20013	0.2
350.18600	0.5
378.13495	0.1
378.18069	1.5
428.75839	0.1
520.94385	0.1
543.69495	0.1
584.74054	0.1
618.36310	2.5
619.36353	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	618.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01863	1.1
55.05507	7.3
55.94921	1.0
57.03428	13.3
57.06786	1.9
57.07066	31.9
62.95940	1.2
67.05494	16.1
68.15641	1.1
68.97530	1.1
69.03419	1.2
69.07063	8.8
71.04987	1.2
71.08618	22.5
71.50755	2.3
73.10359	1.1
79.05482	6.9
81.02930	2.8
81.03407	55.8
81.07043	22.3
83.04975	2.5
83.08604	15.9
85.10165	12.3
87.04456	12.8
91.05477	8.7
93.07034	8.0
95.04957	14.1
95.07642	1.2
95.08583	17.8
95.38215	1.3
97.06521	2.8
97.10138	5.7
99.08044	1.3
105.07027	9.5
107.04949	2.7
107.08591	5.0
109.06493	3.0
109.10117	8.8
111.08051	5.6
113.00025	1.3
115.05405	1.5
117.06980	1.9
119.08572	8.6
121.06468	1.3
121.10133	5.4
123.11666	3.1
129.07013	5.2
131.08534	5.4
133.06465	2.3
133.10112	3.9
136.96550	1.3
141.06815	1.1
142.07729	1.7
147.07974	1.4
147.11661	6.5
149.13255	1.5
157.10114	6.6
165.12715	1.6
175.11215	5.7
193.12206	18.8
249.14810	2.3
267.15878	100.0
276.50018	1.2
337.96933	1.0
341.30460	83.6
342.30969	2.0
506.38806	4.3
507.40466	10.4
533.41937	72.9
534.42249	2.7
618.42065	1.8
641.75714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.4
55.05508	23.4
57.03427	14.0
57.07066	51.4
67.05497	47.3
69.03421	2.2
69.07060	30.8
71.04964	4.8
71.08618	36.4
73.08449	2.4
79.05484	36.7
81.03399	7.7
81.07044	58.4
83.08601	23.7
83.41064	2.0
85.06559	3.9
85.10174	15.9
87.04459	10.2
89.06030	3.8
91.05466	49.9
93.07030	49.8
95.04961	5.9
95.08596	49.4
97.06508	4.7
97.09629	2.0
97.10149	12.4
105.07021	57.4
107.08573	27.5
109.10137	21.5
111.11722	4.8
117.07014	16.5
119.08575	48.2
121.06395	2.4
121.10133	18.7
121.71354	1.9
123.11684	6.0
125.09583	2.2
126.75719	2.0
128.06145	2.3
129.06996	8.2
131.08542	20.6
133.10112	40.2
135.11678	16.6
137.09520	2.3
137.13254	2.8
143.08533	6.8
145.10100	23.5
147.08064	2.4
147.11664	45.7
147.12823	2.3
149.13232	11.9
157.10069	10.1
159.11674	19.1
161.13220	36.0
163.11249	2.6
163.14792	5.7
171.11635	15.3
173.13188	9.6
175.11082	1.8
175.14828	16.3
184.83885	2.3
185.13193	11.2
187.14774	3.5
199.14786	5.5
213.16501	3.0
217.19485	3.6
218.11600	2.7
231.21024	7.3
241.19514	40.3
259.20554	93.0
260.20804	2.9
267.15903	12.0
274.50836	2.2
315.23120	5.3
333.24225	53.7
341.30457	100.0
342.30515	3.1
505.38800	32.0
506.38907	5.1
533.41669	6.6
599.49957	12.3
617.51154	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
55.59208	0.5
57.07066	0.7
67.05481	3.8
69.07060	2.6
70.16020	2.8
71.04984	0.5
79.05482	1.9
81.03408	0.6
81.07043	4.2
83.08604	1.5
85.90089	0.5
87.04484	0.5
89.22623	0.5
91.05469	1.7
93.07038	3.7
95.04955	0.7
95.08598	3.8
97.10187	0.7
103.77410	0.5
105.07014	2.2
106.42116	0.5
107.08599	3.0
107.67888	0.5
109.06529	1.0
109.10130	2.4
117.07014	0.6
119.08595	2.0
120.09023	0.5
121.10130	1.6
123.11698	0.6
125.09554	0.7
131.08557	1.6
133.10110	1.6
135.11778	0.5
143.08640	0.6
145.10120	1.8
147.04410	1.1
147.11684	0.8
149.09619	0.8
157.10049	0.9
165.09093	1.5
171.11699	0.7
175.11174	0.6
187.14807	0.6
205.08531	0.9
221.15247	2.7
223.09578	0.9
259.13300	0.9
283.15128	12.4
299.20197	0.6
333.16977	0.6
335.25595	0.8
339.17627	4.4
345.20798	0.7
599.41931	0.7
617.40137	100.0
618.40387	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	617.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.6
57.07065	18.8
65.03918	6.2
65.51044	3.7
65.97063	5.4
67.05505	46.2
69.03417	15.9
69.07059	24.3
70.42523	3.8
71.04982	5.9
71.18810	3.6
71.40339	11.1
79.05482	36.1
80.06256	4.1
81.03437	6.1
81.07043	68.5
83.04979	30.3
83.08601	28.8
85.06540	9.7
87.04468	14.4
91.05470	61.9
93.07034	94.4
93.07550	3.4
95.04964	43.1
95.08583	49.4
97.06521	26.5
103.05470	4.8
105.07024	100.0
107.04964	7.3
107.08575	73.5
109.06509	23.5
109.10143	35.4
111.08076	7.1
111.11757	5.6
113.09646	6.5
115.05442	7.3
117.07004	26.0
119.08577	73.6
121.06506	16.3
121.10133	84.1
123.08073	22.2
123.11690	16.9
125.05938	21.6
125.09624	13.6
126.57846	5.0
128.06219	9.6
129.06976	20.2
130.07753	15.1
131.08563	43.6
133.06499	6.9
133.10110	49.1
135.07965	21.3
135.11670	15.7
137.09637	16.4
139.11159	10.4
141.07022	11.0
142.07767	18.4
143.08534	36.3
144.09328	15.5
145.10114	70.0
147.04372	5.9
147.08043	19.7
147.11639	24.1
149.09590	23.0
151.07532	11.0
151.11119	7.1
155.08575	20.0
155.10670	6.1
156.09329	13.6
157.10126	51.3
158.10901	5.4
159.08046	17.2
159.11659	41.2
161.09595	14.2
161.13193	11.1
163.11177	39.9
165.07001	7.4
165.09114	17.1
165.12704	5.7
166.07771	4.9
167.08542	9.6
167.10667	67.9
168.09363	6.1
169.10123	26.9
170.10895	6.1
171.11681	25.4
173.09645	9.5
173.13200	21.1
175.11180	10.3
175.14815	7.8
177.12714	8.0
179.08545	13.9
179.10620	6.3
179.14227	4.8
180.09317	9.3
181.10161	12.0
181.12224	40.3
182.10864	8.3
183.11661	20.1
185.09665	5.8
185.13220	12.0
187.11166	6.2
187.14839	9.3
189.12776	6.7
192.09525	4.4
193.10146	11.5
194.10909	9.5
195.11655	21.8
197.13223	30.1
199.14822	5.6
201.12730	7.0
202.60912	4.6
203.14273	13.3
206.10896	6.0
207.11705	13.5
208.12485	6.7
209.13249	19.9
211.14857	13.4
213.12755	11.3
215.14165	10.3
221.13229	15.6
221.15369	29.1
223.14839	18.6
224.15538	4.6
225.16408	10.1
227.14160	6.1
231.13741	5.6
233.13257	8.3
233.15292	33.4
235.14775	10.0
237.12656	4.5
237.16397	8.2
239.14348	7.1
249.16504	7.0
251.17976	6.6
261.16299	5.0
269.19000	7.4
273.18600	4.6
277.19461	5.2
279.49719	3.9
281.18921	4.7
299.19958	8.1
311.19983	8.6
361.25186	5.8
599.40906	14.0
617.42462	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24395	0.7
51.45371	0.6
53.03928	1.2
53.81275	0.6
55.05491	2.3
55.20588	0.6
57.03420	0.8
60.62209	0.6
67.05500	4.3
68.97913	0.7
69.07052	2.3
71.04979	3.7
79.05472	2.6
81.03392	1.5
81.07040	4.8
83.04959	1.6
83.08601	1.2
85.02892	5.6
91.05451	2.5
93.07037	3.6
94.06534	1.0
95.04948	1.8
95.08588	4.3
97.10180	0.6
105.06976	4.0
106.06535	1.8
107.08570	6.0
108.08101	2.1
109.06506	0.8
109.10143	5.8
117.07001	0.8
119.05013	0.8
119.08564	4.2
121.10147	3.2
122.06036	3.5
123.04434	0.9
123.11678	3.3
124.07573	18.9
125.09587	1.5
127.03849	1.0
128.06194	0.8
129.05438	0.8
129.07045	1.0
131.08563	2.0
133.10117	3.1
134.05965	2.1
135.07982	0.9
135.11673	2.8
136.07562	15.3
137.13304	1.0
143.08507	1.1
145.10066	2.0
146.06000	7.9
146.09627	1.3
147.04340	0.8
147.11656	2.2
148.07526	9.1
149.09607	1.2
149.13225	0.8
150.09149	1.6
151.11131	1.2
152.07025	3.9
157.10141	1.8
159.11688	2.6
161.13280	1.4
162.05441	0.8
163.14799	0.8
164.07030	13.0
166.08615	13.1
171.11620	0.9
172.03889	6.1
173.04675	0.8
173.13248	1.7
174.05489	4.7
174.09027	0.8
175.14748	1.2
176.07048	17.9
177.12743	0.9
185.13249	0.9
187.14809	1.0
189.16364	1.0
190.04956	2.4
191.05682	1.5
191.17920	0.9
192.06558	1.0
200.56090	0.7
201.16415	1.1
203.17984	0.8
204.06544	5.8
206.08109	0.9
207.06650	0.8
208.09695	1.1
209.30122	0.7
210.11452	1.4
211.12262	1.7
213.16289	0.8
218.07961	0.7
221.10687	2.0
222.11485	1.0
223.12192	1.9
224.09384	1.0
224.13135	1.2
225.10219	3.7
225.13664	1.0
227.11714	2.2
229.13365	1.3
235.12291	2.6
236.13049	2.3
237.10089	7.8
237.13739	1.5
238.10968	10.1
239.11755	11.9
240.12138	0.8
245.12839	2.5
248.09424	2.4
249.10152	4.0
250.10925	4.1
251.11743	9.8
252.12511	2.0
253.13362	3.9
255.11250	1.0
263.08566	0.9
263.11667	11.2
264.08838	1.6
264.12418	2.6
265.09702	6.5
265.13324	24.3
266.10480	2.2
266.13824	1.3
267.11325	4.5
269.12759	5.0
270.13568	1.3
271.14362	18.4
275.11795	2.0
276.12314	1.2
277.09708	3.8
277.13309	2.6
278.10480	3.3
279.11246	100.0
280.11954	11.0
281.12714	3.4
282.13647	1.1
283.10757	2.3
283.14194	1.6
285.12299	2.2
287.13940	4.2
289.15497	2.8
291.11252	4.3
292.11945	1.9
293.12762	6.5
294.13559	2.0
295.10748	3.1
295.14429	2.5
296.11569	4.5
297.12296	61.2
298.12958	9.4
299.13882	1.8
304.21622	0.7
309.12280	33.2
310.13046	18.6
311.13721	5.1
315.13266	3.3
319.10681	4.5
321.12241	9.9
322.12860	1.1
323.10156	2.1
324.10928	1.8
325.11798	4.8
329.14917	2.6
337.11774	59.3
338.12500	21.7
339.13345	71.5
340.14108	5.2
358.15390	0.9
360.17075	1.1
369.14438	13.7
370.15097	3.4
371.15961	35.4
372.16574	2.0
385.13596	1.6
392.19626	1.1
400.16293	3.9
401.17233	1.8
402.17981	1.9
418.17480	1.2
419.17886	0.8
419.34579	1.0
422.20789	4.8
432.19104	1.2
434.20612	1.4
437.34088	2.0
442.17447	5.1
448.18671	1.9
449.19110	2.5
450.20001	2.4
453.33298	1.2
460.18637	50.2
461.18982	4.7
462.20178	47.3
463.20856	5.8
464.21786	11.1
471.34521	1.9
480.20920	3.3
492.21429	1.9
494.22818	22.6
495.23163	3.0
506.53653	0.7
567.25702	3.1
585.26990	75.2
586.27258	4.8
591.86792	0.8
617.29395	6.4
617.40179	7.2
618.29694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05491	2.0
61.02913	1.2
67.05502	9.3
69.03408	3.0
69.07052	2.9
71.04975	3.7
71.52821	1.8
77.48711	0.9
79.05485	3.4
81.03396	2.3
81.07046	6.2
83.04977	2.9
83.08597	1.8
85.02885	7.6
91.05453	5.0
93.07026	6.9
94.06553	5.7
95.04962	2.6
95.08589	6.1
97.02886	1.6
97.06495	1.8
97.10152	1.1
103.87707	0.8
105.07036	4.6
105.97993	0.8
107.04910	1.5
107.08583	8.8
108.08131	1.3
109.02852	1.1
109.06504	1.7
109.10116	6.5
111.04395	0.8
111.08028	0.8
117.07014	1.1
119.04881	1.1
119.08546	5.6
120.04472	0.9
120.08105	1.4
121.09299	0.8
121.10105	4.9
122.06009	17.8
123.08010	2.5
123.11692	3.8
124.07551	1.0
125.09604	1.9
127.03902	1.8
129.05396	1.4
129.06985	1.4
131.08556	2.8
133.10129	3.4
134.05994	2.0
135.08078	1.6
135.11633	4.3
136.07541	9.6
137.05911	1.3
137.09593	3.1
138.09126	1.2
139.68617	0.8
143.08566	2.0
145.09067	0.8
145.10112	3.8
146.05954	1.7
147.04378	4.5
147.08029	1.2
147.11700	2.1
148.07552	1.7
148.11165	4.9
149.09593	4.6
149.13268	2.2
157.10143	2.1
159.11678	2.7
161.13237	2.8
163.14832	1.3
164.07053	6.3
166.08618	4.3
167.08482	1.2
169.10097	1.5
171.11717	1.2
173.13277	2.7
174.05467	1.3
175.14784	1.1
177.09039	0.9
177.16356	1.3
182.09460	1.0
185.13158	1.2
187.14853	1.5
189.16356	0.9
197.13376	0.9
201.16331	1.2
203.18053	1.4
207.26445	0.8
211.14809	1.2
213.16452	0.9
221.10764	2.3
222.11458	2.5
223.08557	4.5
223.12268	2.5
224.09250	1.1
224.13071	1.2
225.10196	10.6
235.08612	2.8
235.12274	3.4
236.09419	3.2
236.13091	2.5
237.10176	8.9
237.13742	4.3
238.10797	5.7
239.11781	5.3
247.12320	2.4
248.09102	4.6
249.10150	13.0
250.10945	14.0
251.08116	7.2
251.11748	28.4
252.12445	4.7
253.13383	2.3
255.11275	1.2
261.10037	1.0
263.09186	0.6
263.11761	24.7
264.09070	2.2
264.12515	19.0
265.09723	10.0
265.13330	35.2
265.83102	1.1
266.10394	2.3
266.14108	3.7
267.11194	2.4
267.14886	3.7
268.12015	1.0
275.11847	1.3
276.09988	1.0
277.09732	6.6
277.13214	2.1
278.10590	3.2
279.11252	16.3
280.11902	1.9
281.12814	5.0
282.13562	1.1
283.10806	7.7
283.13654	1.3
291.11255	6.3
292.11877	1.7
293.12787	13.1
294.10776	1.2
294.13638	5.7
295.10727	7.7
295.14395	4.3
296.11484	10.3
297.12366	6.0
298.13144	2.0
307.10577	1.3
307.88129	0.8
309.12292	41.8
310.12854	4.7
311.13852	53.6
312.14444	1.5
319.10785	7.8
320.11505	4.0
321.12256	9.4
323.10333	1.5
324.10931	5.3
325.11819	3.2
337.07635	1.7
337.11780	45.7
338.12509	18.0
339.13345	64.8
340.13754	2.3
341.15112	1.3
344.13788	1.2
351.13339	1.3
353.14914	1.8
357.14380	5.8
358.14883	0.9
369.07431	1.2
369.14404	49.9
370.15048	4.4
371.15958	57.1
372.16821	2.2
386.18695	1.6
387.15720	1.3
404.19693	1.1
414.18039	3.5
416.19540	10.3
419.33258	1.2
420.22885	1.1
422.20435	1.1
432.19156	15.6
433.19562	1.4
435.32376	1.3
436.22272	2.6
437.34058	4.0
442.17416	5.3
446.20663	2.9
453.33682	2.6
455.35278	2.4
460.18582	100.0
461.18906	5.8
462.20193	2.4
464.21762	85.7
465.22382	4.6
471.34503	4.6
474.20129	1.3
492.21265	58.6
493.21622	2.6
494.22748	2.0
525.24628	1.3
567.25885	3.0
585.27002	30.8
586.27716	1.4
599.28088	1.1
617.29480	3.3
617.39996	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	617.26
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
51.02421	0.3
53.03936	0.7
53.04830	0.4
55.01863	0.7
55.05492	0.6
57.03429	0.6
57.07058	0.4
61.02908	0.4
67.05491	0.9
69.03427	1.8
69.07056	11.8
70.02921	1.1
70.06584	1.3
71.04972	0.7
71.48812	0.3
71.79793	0.4
72.08150	0.5
79.05474	1.5
80.04996	1.1
81.03406	1.5
81.07040	1.3
83.04982	0.7
84.04490	0.5
84.08140	2.9
85.02894	2.3
85.06541	0.4
86.09693	49.7
91.05460	4.3
93.07034	3.0
95.04964	1.7
95.08585	1.4
96.04493	0.7
97.02879	1.1
97.06508	1.6
98.09659	1.2
99.04451	0.5
103.05457	11.2
105.07019	4.9
107.04961	1.0
107.08578	1.1
108.93035	0.4
109.02861	0.7
109.10153	0.6
112.07586	1.1
115.05447	1.5
117.06985	2.9
118.06508	0.9
119.04940	1.4
119.07314	0.3
119.08524	0.7
120.08084	100.0
121.06499	2.0
121.08448	0.9
121.10134	0.7
122.06062	0.6
123.08029	1.4
123.11684	0.7
124.03930	31.8
126.09153	0.5
127.03891	1.3
129.06938	0.6
130.06517	5.7
130.08641	1.3
130.84116	0.4
131.04904	8.2
131.07259	0.4
131.08495	0.4
132.08058	5.0
133.06468	2.5
133.10106	0.6
135.08084	0.7
135.11690	0.6
137.05946	1.0
140.07117	0.4
143.04871	0.7
143.08556	0.7
144.08046	0.7
145.02800	0.5
145.06474	5.6
145.10172	0.6
146.05956	3.3
147.04387	3.8
147.11667	0.5
148.07562	1.4
149.05966	4.8
149.09660	0.4
149.13245	0.4
155.05966	0.4
158.06015	0.7
159.11610	0.5
160.07550	14.0
161.05971	3.0
162.09111	8.1
162.10373	0.6
163.03923	0.9
163.07503	0.8
165.05437	0.9
167.07059	1.2
170.05972	1.9
171.04445	2.3
172.07562	1.2
173.06007	1.9
175.03908	1.4
175.08685	0.8
176.06931	0.9
177.05486	1.7
178.08607	11.7
186.05545	0.6
187.08687	0.9
188.07034	9.7
188.08687	0.6
188.14310	6.6
189.05423	2.8
189.12625	0.5
190.08699	0.8
191.06995	4.7
192.06636	0.7
201.05557	0.5
205.09673	4.8
206.08153	4.0
207.06514	1.2
208.09627	3.5
210.01892	0.4
215.15346	0.9
216.06555	1.6
216.13780	0.7
223.10748	3.3
227.13152	0.5
228.13805	0.5
231.14912	2.8
233.09398	1.0
233.16466	1.3
233.92845	0.4
234.07626	3.1
243.14949	1.3
246.66046	0.4
250.12378	0.4
251.10193	2.2
255.14909	0.7
256.13300	1.1
257.16315	0.4
258.14761	0.4
259.14380	4.6
260.12692	2.2
261.15887	0.9
262.07022	0.7
262.12366	0.8
263.48352	0.4
265.13373	0.6
273.15930	8.0
274.14343	0.9
279.11292	0.6
280.13464	0.5
287.13901	0.7
290.11652	0.9
291.17023	9.3
297.12375	0.6
301.15497	2.1
302.13779	6.6
308.12671	0.5
318.18195	1.4
319.16483	9.7
325.10590	0.5
335.13828	0.6
336.12491	0.9
339.13110	0.5
347.16034	4.4
354.13480	0.5
375.20560	0.8
381.14240	2.4
420.22864	1.7
421.21414	0.5
437.34009	0.6
448.22324	1.5
449.20395	0.6
455.09857	0.5
460.18661	1.0
466.23306	11.3
471.34570	0.7
476.22021	1.8
494.22806	58.8
495.23151	1.6
497.10672	0.6
504.17667	0.9
589.26563	4.3
617.25916	66.1
618.26398	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	616.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
55.05501	25.9
55.42037	2.1
57.03433	17.2
57.07066	17.0
63.16838	2.4
67.05497	27.0
69.07062	33.5
71.04969	4.5
71.08617	10.8
71.80477	2.1
71.80977	3.7
79.05491	17.5
81.03409	82.3
81.07047	42.3
82.07397	2.5
83.04984	5.1
83.08610	43.6
83.66843	2.2
85.06544	2.9
85.10144	4.1
91.05475	15.4
93.07010	18.8
95.04960	20.5
95.08603	33.4
97.06490	4.2
97.10166	12.5
105.06987	14.6
107.04946	7.4
107.08578	15.3
109.06542	4.1
109.10146	13.7
111.04461	3.4
111.08076	7.2
111.11695	4.2
119.08569	14.8
121.10112	18.6
123.11646	5.2
129.07001	5.5
131.08566	10.2
133.10164	4.5
135.11673	10.4
137.09586	2.8
137.13321	2.9
142.07790	2.6
145.10138	4.6
147.08037	3.8
147.11661	8.0
149.09621	3.6
149.13293	5.5
151.07561	2.4
155.98705	2.3
157.10097	8.8
159.11684	3.2
160.12074	2.4
167.06993	3.8
173.13370	2.4
175.11200	9.7
193.12204	23.7
205.08618	7.4
215.36044	2.3
223.09634	15.9
249.14745	3.1
267.15884	100.0
268.16400	3.1
278.70459	2.5
313.27371	18.0
339.28906	72.4
343.17554	4.1
399.58118	2.2
457.36649	6.7
505.38959	26.7
531.40424	58.7
532.40802	4.4
549.41034	7.5
616.51068	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	616.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01848	1.2
55.05498	3.4
57.03183	0.3
57.03424	2.8
57.07059	2.1
57.22941	0.2
57.27732	0.2
59.72823	0.2
61.02640	0.3
61.02918	3.7
65.03938	0.2
67.05491	2.6
68.05017	0.4
69.03419	12.3
69.07057	7.3
70.06570	0.3
71.01321	0.4
71.04974	1.4
71.08603	1.2
73.02914	1.4
79.05488	1.6
80.04985	0.6
80.79810	0.3
81.03407	4.5
81.05777	1.3
81.07043	7.6
81.07530	0.4
82.06555	1.0
83.01338	0.3
83.04985	1.2
83.08603	5.2
85.02890	39.5
85.06512	0.7
85.10162	1.1
86.03219	0.3
87.04451	1.6
91.03936	1.0
91.05449	0.5
93.07023	1.1
94.06530	1.4
95.04953	0.4
95.08589	6.4
96.08119	2.6
96.08982	0.3
97.02872	9.8
97.10152	4.1
98.20654	0.6
99.04436	2.4
100.07581	0.5
101.02399	0.4
103.03902	0.4
105.07024	0.5
107.08582	0.7
109.02862	4.4
109.10133	3.9
111.11705	2.7
112.07561	1.3
114.09148	60.8
115.03955	0.4
115.09492	0.8
119.08551	0.6
121.10107	0.6
123.11694	2.4
125.13258	1.5
127.03899	6.9
128.07047	1.9
129.12718	0.3
135.11693	0.5
137.13234	1.4
139.14824	0.4
140.07033	0.5
143.14343	0.4
145.04924	3.2
147.11707	0.4
149.13165	0.4
151.14799	0.7
158.08099	8.4
159.11688	0.4
160.09662	100.0
161.09993	1.3
165.16385	0.4
204.81349	0.2
213.22073	0.5
225.22247	0.3
242.88634	0.3
277.28873	0.4
291.10770	0.4
295.30121	0.3
364.16864	0.3
385.30865	0.5
419.94846	0.3
421.33127	0.3
437.34161	0.4
454.38840	16.8
455.39182	1.0
571.75128	0.3
616.44098	42.8
617.44623	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	616.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19497	0.2
53.03923	0.4
55.01858	0.3
55.05501	1.3
57.07055	0.5
58.33672	0.2
65.03909	0.4
65.05479	0.2
67.05487	2.2
69.07051	1.3
69.80920	0.6
69.81350	1.3
69.91199	0.2
70.02921	1.0
79.05476	4.0
81.06600	0.3
81.07042	4.7
83.08584	0.5
84.03176	0.2
91.05461	7.3
93.07031	5.7
94.06522	0.4
95.04932	0.7
95.07998	0.5
95.08592	8.6
95.95771	0.2
97.10139	0.7
98.21433	0.4
99.04488	0.2
100.03980	0.3
103.05447	3.8
104.04955	1.0
105.06334	0.4
105.07015	5.6
106.06500	0.3
107.04940	1.4
107.08575	11.2
109.06479	0.3
109.10140	3.7
115.05439	7.0
117.06998	6.6
119.07247	0.3
119.08566	6.1
120.08080	1.9
121.10126	13.3
123.08040	0.6
123.11688	2.9
128.06082	0.2
129.06949	0.8
130.06503	1.5
131.04893	1.2
131.08534	2.8
132.08049	0.7
133.08981	0.4
133.10104	3.9
135.11659	2.6
137.13199	0.4
143.07384	0.3
143.08514	1.0
144.08057	13.3
145.06464	6.2
145.08945	0.3
145.10097	3.1
146.09598	1.2
147.10545	0.4
147.11641	2.4
148.11176	3.4
149.05960	0.4
149.09558	0.3
149.13203	1.2
150.09129	0.4
150.12704	0.7
155.05974	1.3
155.08528	0.3
157.10086	1.1
158.09637	1.5
159.07907	0.4
159.10384	1.0
159.11662	1.9
160.11172	0.5
161.09628	0.3
161.13242	1.2
163.14803	1.0
164.10674	2.3
165.09067	0.5
166.23317	0.2
169.10098	0.6
171.11674	1.2
172.07547	33.0
173.07828	0.4
173.13232	1.9
175.14781	2.8
176.10692	0.8
177.16324	0.9
181.10136	0.3
183.11610	0.5
185.13249	1.5
186.12740	0.4
187.14777	3.2
189.16374	1.2
190.08598	4.8
192.10193	0.4
193.10042	0.4
195.11479	0.2
197.13342	0.5
199.14789	1.4
201.12756	0.3
201.16330	2.2
203.17897	0.5
205.12233	0.4
205.15852	0.3
211.14888	0.2
213.16336	1.3
215.14366	0.4
215.17886	0.4
218.08089	34.3
219.08400	0.3
219.13756	0.3
221.13286	0.4
221.15300	0.3
223.14627	0.3
225.16284	0.5
227.17854	1.1
229.19554	0.5
233.15271	0.6
235.13542	0.5
236.14474	0.3
239.18004	0.5
241.19609	0.3
245.15471	0.3
247.16881	0.2
250.15877	1.9
253.19505	0.4
259.16989	0.4
262.14319	1.6
266.15231	0.3
268.16797	1.1
296.16266	0.6
308.21243	0.3
309.25717	1.8
312.15930	0.9
355.26331	2.7
464.31845	0.3
468.34854	0.7
552.38074	0.7
570.39343	14.0
571.39948	0.6
598.39374	0.3
616.39850	100.0
617.40131	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	616.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02359	0.6
53.03931	0.8
55.01851	0.8
55.05486	1.0
58.96497	0.3
60.04551	0.2
64.66608	0.3
65.03922	0.8
69.03408	0.7
69.07050	0.3
70.06567	0.8
71.04969	0.7
72.08147	0.4
76.76746	0.3
77.03899	1.7
79.05462	0.6
81.03397	1.1
81.07085	0.3
83.04950	0.4
84.08128	1.3
85.02889	0.9
86.09699	0.8
89.03899	3.3
91.05463	12.8
93.07028	2.2
94.04163	0.9
94.06550	0.3
95.04965	1.8
96.08106	0.3
97.02871	0.8
102.28143	0.3
103.05443	2.0
105.03368	4.2
105.04476	0.5
105.07027	0.3
106.04152	0.4
107.04908	1.2
108.08083	0.3
109.02856	0.9
109.06487	0.4
110.07143	0.7
112.07569	1.4
114.09154	0.9
117.03365	3.6
118.04195	0.4
119.04923	16.3
120.05267	0.4
121.06485	4.5
122.03645	2.8
122.06000	0.4
123.04412	0.4
127.03876	0.7
130.08618	21.7
131.04892	0.6
131.08875	0.3
132.05661	0.3
133.02827	100.0
134.03299	1.2
135.04388	3.8
136.03865	0.5
136.06160	0.6
137.05949	17.5
140.07059	0.9
143.04935	0.4
145.02821	3.1
145.06496	0.7
146.06032	0.3
147.04381	12.3
148.04718	0.4
149.05952	28.7
150.06738	12.6
151.03896	0.5
157.03937	1.5
158.03563	0.7
160.05113	0.3
161.05962	4.2
162.03081	1.4
162.07718	0.5
163.03893	0.6
165.05457	11.8
165.06760	0.4
167.07001	0.7
171.16861	0.3
173.05957	1.2
175.03877	42.8
176.04265	0.9
176.06158	0.5
177.05437	5.8
177.06963	2.0
178.05705	0.6
186.03114	0.4
188.90717	0.3
189.07025	0.4
190.07625	0.4
191.08517	1.0
194.07202	0.9
201.05423	11.0
202.05849	0.4
204.05733	0.6
205.06442	5.2
211.07451	0.4
219.08076	1.8
221.05969	2.0
222.06767	2.5
232.05077	0.4
233.03622	0.6
233.05933	10.9
234.06575	0.6
235.07426	0.7
236.08174	0.5
237.09065	1.2
239.07109	0.3
247.07520	2.2
249.05443	4.4
250.06168	2.8
251.06964	0.4
251.10634	0.5
258.87411	0.3
260.04797	0.5
261.05438	5.6
262.05942	0.4
263.06964	0.4
264.07742	2.0
265.08539	4.6
266.09229	0.4
268.13416	0.3
275.06946	1.8
276.07571	0.4
277.04861	2.1
278.05719	1.4
279.06265	0.3
279.10175	0.8
287.05594	0.3
292.07281	4.4
292.13971	0.6
293.07986	7.5
297.11142	0.7
307.09637	2.5
314.12030	0.8
325.10645	67.6
326.10965	2.3
331.09857	0.6
416.15848	0.3
417.16272	0.4
434.16690	0.5
466.17136	0.4
469.14795	0.4
474.16641	0.5
475.16882	1.2
476.17651	0.6
487.15579	2.1
532.75482	0.3
598.23999	0.8
616.24695	3.2
617.14703	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	615.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
55.01863	1.3
56.93605	0.3
57.03416	0.8
61.02898	0.4
65.03940	0.3
67.05501	0.6
68.99780	0.4
69.03418	0.7
69.77387	2.6
70.06596	0.5
71.04965	0.5
72.85227	0.3
74.30856	0.3
77.03912	0.6
79.86265	0.3
81.03405	1.5
81.07056	0.5
83.04961	0.4
84.08125	0.4
85.02893	4.1
91.05464	0.7
95.04951	1.4
97.02881	1.3
98.20679	0.6
99.04459	0.4
100.36210	0.3
103.03940	0.6
103.05467	0.4
105.03374	1.2
106.20858	0.3
107.04951	0.5
109.02898	1.6
115.05469	0.4
119.04900	0.9
121.02853	2.0
123.04413	100.0
124.04723	0.9
127.03907	0.8
129.06990	0.4
131.04904	0.6
133.06470	0.5
135.04398	1.3
137.05981	1.1
139.03871	2.0
145.02888	0.5
147.04375	4.1
149.05984	0.6
151.03877	2.0
155.04669	0.3
157.06502	0.5
159.04420	1.1
161.05966	1.6
163.03889	4.8
165.05469	19.1
167.03261	0.3
169.06383	0.3
171.04347	0.8
173.02420	0.4
173.05913	0.6
175.03912	3.4
175.07565	0.5
176.04303	0.4
176.74838	0.3
177.05453	2.1
179.03191	0.4
181.04996	3.0
181.06462	0.7
185.05997	0.5
187.03873	1.7
187.07561	0.5
189.05447	3.4
191.03380	0.5
193.04955	4.0
197.05989	0.6
199.07640	0.4
201.05507	1.6
203.03455	0.7
203.06929	0.5
205.04945	6.5
207.06479	0.7
211.03923	0.4
213.05443	1.7
215.03319	0.6
215.07115	0.4
217.04932	6.3
217.06870	0.5
219.02879	0.9
219.06479	1.8
221.04422	1.0
223.05939	1.0
225.05426	1.1
227.07002	0.7
229.04909	2.8
231.06552	2.0
233.04414	1.2
235.05933	3.8
239.07121	0.5
240.46852	0.3
241.04808	2.1
243.06483	1.4
245.04575	0.5
245.07864	0.4
247.05959	5.5
251.07062	0.5
253.05057	0.9
254.05676	0.5
255.06503	1.4
257.04602	0.5
257.08066	0.4
259.05994	7.0
265.07025	0.7
267.06561	0.6
269.04422	0.5
269.08206	0.6
271.05951	4.6
273.07529	1.0
275.07251	0.4
277.07077	2.8
277.09830	0.5
279.06342	0.8
281.04602	0.3
283.05884	2.8
285.07568	1.5
289.06961	1.6
291.08823	0.5
295.05856	0.9
297.07526	2.5
299.05481	0.4
301.07034	4.2
303.08850	0.5
303.68808	0.3
307.05652	0.5
309.07614	1.0
313.07056	2.6
315.08591	1.2
319.08099	0.6
320.09250	0.4
321.07761	0.8
323.05368	0.6
325.07053	2.2
327.08508	1.3
331.08087	0.7
333.09613	1.0
337.06970	0.5
339.08575	1.3
343.08148	1.3
345.09683	2.4
351.08533	1.0
355.08170	0.8
357.09711	3.1
361.09079	0.5
363.08536	1.2
369.09586	4.4
375.09976	0.5
381.09683	3.6
393.09674	1.9
399.10693	6.4
405.09689	1.7
411.05737	0.3
411.10681	6.8
417.09879	0.4
423.10706	6.0
424.10315	0.4
427.09827	0.4
429.11774	2.4
435.10663	3.6
441.11835	2.7
447.12860	10.4
459.12747	3.0
465.05823	0.5
465.11792	6.0
477.13385	5.0
483.12781	3.4
489.11639	1.2
495.12857	2.6
501.13803	3.7
507.12741	2.1
513.13898	7.5
525.13873	3.1
531.14648	0.5
543.14844	3.0
561.15857	3.0
568.59509	0.5
579.17145	1.0
615.23383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13828	0.7
52.80112	0.7
53.03934	1.4
55.05505	12.7
57.03437	4.3
57.03677	0.9
57.07068	4.2
65.03926	1.3
67.05497	32.1
69.07062	14.8
69.59158	0.8
69.78756	6.6
70.21382	0.9
71.05006	1.1
71.08620	1.9
79.05477	17.1
80.16581	0.9
81.07045	39.6
83.04970	1.4
83.08612	9.4
84.38919	0.8
85.06536	1.9
85.10188	1.2
89.06030	1.3
91.05457	12.6
93.07036	23.4
95.04968	1.8
95.08597	32.3
96.08918	0.9
97.06515	2.6
97.10161	6.2
99.08054	1.1
105.07003	13.9
107.08583	16.7
109.06506	1.2
109.10148	17.0
111.08086	1.2
111.11719	0.9
117.06980	4.3
119.08567	15.0
121.10126	13.9
123.11681	6.3
125.09644	1.3
129.07036	1.5
131.08537	9.1
133.10104	11.9
135.11667	10.3
137.13257	2.6
143.08546	1.5
145.10112	7.6
147.11673	10.6
149.13214	7.1
151.14871	1.0
154.80031	0.8
157.10112	3.2
159.11668	7.3
160.68152	1.1
161.13289	5.4
163.11087	0.8
163.14825	3.5
165.05473	1.1
171.11719	3.0
173.13239	5.7
175.14854	2.9
177.16425	2.3
185.13289	2.6
187.14841	3.2
189.16415	2.0
199.14874	2.2
201.16380	1.9
203.17882	1.5
205.08669	1.3
211.14877	0.9
213.16483	1.3
215.18044	1.5
223.09659	1.8
231.21327	1.5
233.22452	1.3
237.11322	1.5
241.19707	1.7
243.21036	1.9
259.20560	2.5
261.22064	7.0
263.23618	1.6
275.23489	1.0
279.23364	1.3
281.21439	1.0
287.23666	1.0
333.24231	2.3
335.25647	7.3
337.27304	10.0
339.28937	2.5
377.30392	1.0
384.46799	0.9
475.33868	1.3
505.38669	1.2
523.45074	3.3
529.09625	1.0
531.40277	1.9
541.46106	1.9
557.27948	1.0
597.48804	11.6
615.49750	100.0
616.50165	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	614.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77776	1.8
53.03936	3.0
55.05505	25.1
57.03429	10.0
57.07061	8.5
62.13528	1.5
65.03934	3.0
67.05496	80.7
69.07063	17.1
71.04607	2.2
71.04981	30.4
71.08607	6.1
73.06538	3.6
73.78476	1.6
79.05486	42.6
81.03397	2.3
81.07046	100.0
83.04966	5.1
83.08609	12.9
84.08114	1.7
84.89747	1.7
85.02904	2.3
85.06083	1.6
85.06509	8.3
85.10200	2.8
87.04477	4.3
89.06019	74.8
89.06584	3.6
91.05463	35.3
93.07032	51.7
95.04971	6.9
95.08598	38.6
97.06492	7.1
97.10165	6.4
99.08070	3.2
105.07027	30.3
107.07055	2.4
107.08579	28.1
109.06510	4.4
109.10131	25.0
117.06983	9.9
119.08562	25.1
121.10136	23.0
123.08089	2.4
123.11714	12.8
125.09603	3.8
127.11140	1.9
129.06967	3.2
130.08632	3.1
131.07034	3.1
131.08551	20.5
133.07565	2.5
133.08583	44.1
133.10091	24.5
135.08078	2.7
135.11687	15.5
139.11092	2.0
143.08537	6.9
145.10121	14.8
147.11656	9.4
149.09618	2.7
149.13231	9.1
151.11157	5.9
157.10094	6.3
159.10541	2.0
159.11691	10.8
161.13193	8.8
163.11127	2.4
163.14803	5.2
169.10123	5.2
171.11725	6.6
173.11861	1.9
173.13257	7.4
175.14804	4.7
177.11212	22.7
177.12653	2.7
183.11708	3.7
185.13177	3.1
187.13303	2.4
187.14839	5.1
195.11928	2.0
197.13298	2.0
201.14816	3.5
201.16432	2.8
211.14716	2.8
213.16417	2.9
221.13593	2.1
229.14314	4.7
239.14769	3.0
243.16014	2.4
243.21095	3.8
257.17468	6.0
261.22046	7.5
269.17404	3.1
271.18921	2.3
301.16605	3.4
301.19946	19.7
317.24722	5.7
327.19897	3.1
329.57428	1.9
335.25818	27.4
371.22787	3.4
393.31226	2.5
411.32574	3.7
415.25378	27.0
419.32928	2.9
437.34293	10.8
485.36185	9.5
503.37265	56.4
504.37561	2.9
511.37808	11.3
529.38837	85.0
530.39270	3.1
547.39630	7.6
561.41467	28.3
597.97327	2.0
614.48132	2.7
615.40674	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01865	2.0
55.05504	21.4
55.10340	1.2
57.03430	19.6
57.07055	4.6
64.33802	1.2
65.03911	1.7
67.05499	49.5
69.03406	1.9
69.07056	23.9
69.55621	11.8
71.04973	2.7
71.08626	2.6
71.76630	1.2
79.05482	20.6
81.03408	74.3
81.07046	54.9
82.39676	1.5
83.04971	5.0
83.08607	30.3
85.06508	3.4
89.06018	3.4
91.05470	24.3
93.07036	19.0
95.04960	23.0
95.08598	42.0
97.02867	1.5
97.06505	4.5
97.10165	8.8
97.76056	1.2
99.08108	2.6
105.07021	19.5
107.04944	5.0
107.08591	12.8
109.06516	4.8
109.10139	16.2
111.04440	2.2
111.08085	7.0
111.11736	2.0
113.09599	1.6
117.07005	2.7
119.08556	16.3
121.06476	2.6
121.10129	13.3
121.52275	1.3
123.08050	4.2
123.11691	4.9
125.09620	2.4
128.06215	1.3
129.07002	7.3
131.08551	9.7
133.06509	2.9
133.08563	2.1
133.10086	9.1
135.08044	1.6
135.11673	4.3
137.09669	1.4
137.13266	2.6
142.07722	2.3
143.08553	2.0
145.10075	3.8
147.08063	2.0
147.11678	11.8
149.09607	4.9
149.13216	1.8
157.10124	9.5
159.11642	1.8
161.09633	1.6
161.13228	4.2
163.11227	1.5
165.12735	1.7
175.09853	1.1
175.11111	6.9
175.14801	3.7
175.50340	1.5
183.11467	1.8
189.11227	1.9
193.12225	21.6
207.11635	1.5
211.13280	2.1
227.12779	3.0
245.22527	3.3
249.14769	2.3
263.23636	3.7
267.15884	100.0
269.56030	1.4
303.26678	2.4
314.57794	1.3
337.27319	82.4
338.27689	2.4
421.25357	1.7
435.27231	1.8
437.34155	2.7
455.35001	6.4
473.36301	4.2
511.37595	1.6
529.38831	75.2
530.39404	3.0
547.39838	33.6
561.41193	1.7
614.38855	2.1
614.47772	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	614.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.2
53.99895	1.7
55.01855	8.7
55.02087	1.6
55.05505	42.7
57.03422	19.3
57.07059	5.4
58.66755	1.7
59.04996	2.5
65.03925	4.2
67.05495	88.9
69.03413	6.3
69.07059	30.4
70.06590	8.9
71.04993	9.2
71.08615	22.6
71.78941	2.9
78.70721	1.9
79.05482	73.9
81.03407	67.1
81.07045	100.0
82.45303	1.7
83.04967	27.7
83.08154	3.1
83.08608	38.9
85.02878	18.0
85.06522	6.5
86.57992	2.0
88.07605	2.5
89.06013	1.9
91.05470	76.1
91.06036	4.1
93.07027	79.1
95.04375	3.4
95.04955	39.6
95.08585	48.1
97.02867	2.9
97.06529	16.4
97.10152	18.1
99.04485	2.3
99.08083	21.2
105.03386	5.9
105.04460	2.2
105.07014	52.2
105.55470	1.8
107.04906	11.1
107.08582	41.6
108.08880	2.1
109.06512	13.4
109.10146	16.0
111.04446	2.5
111.08059	14.8
113.05983	2.3
114.09158	2.1
115.05432	2.6
117.07012	14.8
119.08566	44.7
120.08949	2.2
121.06499	5.8
121.10114	24.9
123.08057	7.9
123.11687	5.5
125.09628	16.7
129.07004	15.3
131.08549	27.8
132.10211	2.3
133.06493	6.2
133.10109	35.0
135.08037	6.3
135.11635	12.3
137.09639	4.3
139.11177	2.7
142.07745	3.1
143.08556	4.4
145.10132	13.1
146.11743	3.3
147.04356	2.3
147.08041	7.3
147.11673	24.5
149.02341	6.6
149.05936	29.7
149.09570	10.8
149.13255	11.8
151.07503	2.9
151.11166	21.3
155.08609	2.2
157.10130	19.5
159.11670	11.6
161.09604	2.9
161.13194	10.7
163.11157	15.2
165.12727	5.8
167.10684	4.8
171.11681	5.1
173.09567	2.4
173.13229	4.2
175.11147	16.7
175.14758	4.6
177.12733	4.1
179.14316	7.9
183.11737	2.1
185.13237	4.2
187.14775	3.2
189.11188	7.7
189.12712	2.3
191.37556	1.9
193.04933	5.6
193.12216	50.6
194.12479	2.7
195.13763	8.0
199.14804	5.3
209.13255	2.7
211.11241	4.9
211.13254	76.6
212.13632	2.8
221.15355	5.5
227.12750	32.2
233.15340	2.7
245.13792	2.3
259.20502	3.7
267.15836	27.5
269.17438	24.3
277.21594	25.7
285.16916	47.6
286.17105	2.9
295.22577	3.1
297.07623	4.6
300.28915	12.3
334.35941	2.1
341.10141	25.0
342.10507	3.1
351.25336	34.2
352.25653	2.8
383.24237	5.9
408.13278	2.0
423.27267	4.6
437.29568	4.3
445.29327	4.0
451.31763	2.7
455.25870	4.2
461.28931	20.7
463.30350	8.6
479.30020	76.8
480.30511	4.5
481.31137	3.0
496.32922	4.1
517.52673	2.1
543.36542	11.9
561.37781	26.2
562.37878	2.5
596.41278	2.6
614.36639	48.4
615.37433	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	614.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03933	0.4
55.05500	2.4
57.03413	0.3
57.07060	0.5
61.02924	0.4
61.89604	0.3
65.03925	0.9
67.05485	2.1
69.03423	1.2
69.07058	2.2
70.06589	0.6
70.20226	0.2
71.04974	0.6
71.79419	0.3
73.02914	0.2
74.37984	0.2
75.22149	0.2
77.03906	0.6
77.04359	0.3
79.05482	2.5
81.03410	1.4
81.07037	4.1
83.04972	1.9
83.08626	0.3
85.02881	1.6
85.06527	0.6
86.09708	0.3
90.10017	0.3
91.05462	14.1
93.07030	3.8
94.06552	0.4
95.04964	1.1
95.08593	5.3
96.08125	0.4
97.02877	0.9
97.06516	0.8
99.04424	0.6
99.08088	0.5
103.05454	0.6
105.03392	0.3
105.07014	6.6
107.04931	0.6
107.08578	4.5
107.64248	0.3
109.02852	0.7
109.06531	0.6
109.10151	2.5
113.09669	0.4
114.09150	2.4
115.05560	0.2
115.54006	0.2
117.03341	0.5
117.07024	0.5
117.10931	0.2
119.04923	22.4
119.08563	9.4
119.09235	0.2
120.05238	0.3
121.06509	0.5
121.10137	1.8
123.04420	0.5
123.08047	0.4
123.11696	1.1
127.03915	0.9
128.04274	0.3
129.03352	0.5
130.08615	0.6
131.04877	0.4
131.08553	0.9
132.02054	0.7
133.06552	0.3
133.10107	11.0
135.04395	0.5
135.08107	0.4
135.11673	4.7
136.05168	0.3
136.06152	0.7
137.05966	0.9
137.09596	4.1
140.07063	0.4
142.08643	0.6
143.08499	0.3
145.02841	1.5
145.10118	1.1
146.03596	0.4
147.04385	21.2
147.08000	0.5
147.11665	1.9
149.02310	0.6
149.06004	0.4
149.13263	0.7
151.07520	0.3
157.03928	1.6
157.10178	0.3
159.08061	0.3
159.11690	0.6
160.09663	1.4
161.05968	0.3
161.09665	0.3
163.03859	1.3
164.04533	0.5
167.07076	2.0
168.07355	0.5
173.05945	0.4
173.13312	0.3
175.03883	38.5
175.14799	22.9
176.04233	0.7
176.15135	0.5
177.05466	1.5
179.06999	1.7
180.40747	0.3
181.04921	0.8
191.06963	0.4
192.04193	1.5
193.15858	9.2
205.08661	0.5
207.06493	100.0
208.06847	1.9
211.16890	0.8
219.10004	0.4
225.07515	1.0
225.09525	0.3
233.08121	0.3
259.09644	0.3
265.13208	0.4
346.38568	0.3
351.10623	0.4
353.15082	0.4
359.94363	0.3
369.07510	0.5
369.11749	4.1
381.20526	0.4
399.21307	0.5
434.25168	0.3
474.20526	0.4
560.28503	0.5
578.29187	0.9
596.30292	1.0
614.22998	0.8
614.31989	1.5
614.94073	0.3
615.25244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4815
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.26715	0.6
53.03940	1.8
55.01861	0.7
55.05500	12.1
57.03426	4.5
57.07067	3.3
57.94059	0.5
65.03922	1.9
67.05491	39.3
69.07054	14.5
71.04974	1.8
71.05526	1.4
71.05867	1.0
71.08601	1.3
77.03931	0.7
78.04795	0.6
79.05012	1.3
79.05476	21.2
81.07040	44.7
83.04962	1.4
83.08608	8.6
85.06523	1.8
85.10111	0.7
91.05457	14.9
93.07027	26.9
95.04977	3.3
95.08588	35.4
97.06503	2.5
97.10139	4.5
98.08765	0.6
99.08076	1.8
105.07005	17.9
107.08573	17.1
109.06483	1.4
109.10133	20.0
111.08064	1.7
111.11668	0.9
113.09657	0.9
117.06983	9.0
119.08553	16.4
121.10117	16.6
123.08125	0.8
123.11681	8.5
125.09629	1.4
129.06992	2.6
131.08545	14.7
133.10115	14.7
135.11655	11.4
137.05914	0.7
137.09589	0.8
137.13202	3.1
141.06918	0.7
142.07816	0.7
142.72090	0.7
143.08505	4.8
144.99985	0.6
145.10104	13.4
147.11664	11.9
149.13206	6.9
151.14847	1.5
155.08612	1.1
157.10078	5.5
159.11661	11.4
161.13245	8.3
163.14784	4.1
167.08548	0.7
169.10150	2.1
171.11661	4.9
173.13219	9.8
175.14789	4.8
177.12712	0.9
177.16417	1.6
179.14249	1.0
183.11717	2.1
185.13235	3.6
187.14771	6.4
189.16368	2.0
191.17934	1.0
197.13196	1.4
199.14798	3.1
201.16357	2.1
203.17896	1.5
209.13303	0.6
213.16487	1.5
215.17937	1.6
217.19514	0.9
225.16420	0.9
227.18019	1.0
229.19614	1.2
231.21059	0.7
241.19536	2.0
243.21005	1.6
245.22650	1.1
247.20598	0.7
257.18909	0.7
259.20566	6.0
261.22110	6.9
263.23724	0.6
273.22012	1.3
277.21533	0.9
279.23306	0.7
285.22049	0.6
287.23550	0.7
299.23627	1.4
301.24948	0.8
309.24521	0.8
313.25229	0.6
315.26910	1.1
317.24850	0.8
327.26724	0.9
333.24127	4.3
335.25812	12.7
337.27328	7.3
340.13046	0.6
350.31454	0.7
391.87952	0.6
468.00165	0.6
475.34015	1.3
489.35712	2.5
503.37033	1.4
521.43512	4.1
529.39111	1.0
531.40857	0.7
539.44751	2.1
543.40430	1.5
595.47083	10.3
613.48157	100.0
614.48297	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	613.4816
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.93267	0.4
53.03920	1.1
55.01868	0.8
55.05228	0.7
55.05500	14.5
57.03432	4.3
57.07071	3.3
65.03928	1.6
67.05495	42.4
67.29742	0.5
69.06680	0.8
69.07058	15.5
71.04980	1.5
71.08615	1.3
71.56677	0.8
79.05482	22.5
81.07044	43.7
83.04948	1.0
83.08614	8.7
85.06529	1.5
86.08675	0.5
91.01358	0.5
91.05465	17.3
92.05730	0.5
93.07030	28.1
94.07371	0.6
95.04961	2.5
95.08593	37.3
97.06493	2.1
97.10156	4.1
99.08072	1.4
103.05482	0.6
105.04576	0.5
105.07015	19.3
105.07710	1.1
107.08576	18.5
109.06509	1.1
109.10143	20.4
111.08060	1.7
111.11718	0.8
112.31885	0.5
113.09578	0.6
117.07005	7.3
117.07774	0.7
119.08562	19.4
121.10126	17.4
123.08065	0.8
123.11686	9.3
125.09619	0.9
129.06981	3.1
130.07765	0.7
131.08542	13.8
133.10106	16.7
135.10631	0.9
135.11667	13.1
137.09669	0.6
137.13237	3.1
139.11078	0.7
141.06967	0.7
143.08514	5.0
144.09267	0.7
145.10100	12.8
145.11197	0.8
147.11673	13.8
149.09616	0.8
149.13235	8.7
151.11209	0.5
151.14815	1.0
155.08539	1.6
157.10130	4.2
159.11671	12.2
161.09630	0.6
161.13248	9.7
163.11127	0.8
163.14796	4.5
169.10149	2.1
171.11647	5.7
173.13220	11.0
175.14790	5.6
177.16383	1.7
181.10181	0.8
183.11662	1.1
185.13258	4.3
187.14772	6.4
187.16292	0.6
189.16423	2.6
189.17795	0.5
191.14268	0.9
191.17905	0.8
194.69452	0.5
195.11864	0.7
197.13246	1.5
199.14769	3.4
201.14786	0.7
201.16370	3.8
203.17920	1.3
205.15843	0.6
209.13245	0.6
211.14890	1.3
213.14607	0.7
213.16394	2.2
215.17979	2.1
217.19467	1.5
219.17371	0.9
219.21059	0.5
225.16322	0.9
227.16190	0.6
227.18092	0.6
229.19505	1.6
231.21066	1.5
233.18973	0.7
236.66391	0.5
237.18494	0.7
239.18037	1.2
241.19745	2.5
243.21056	1.6
245.22664	0.8
247.20432	0.7
257.18906	0.9
259.20551	7.4
261.22076	10.4
263.23691	1.1
271.20499	0.8
273.22202	1.5
277.21637	0.6
279.19553	0.5
279.23169	0.7
285.22159	1.0
287.23926	1.1
289.21796	0.7
289.25247	0.6
295.22678	0.6
299.23740	1.6
301.25232	1.0
303.26907	0.8
311.23627	0.7
313.25156	1.0
315.23370	1.1
315.26889	1.4
317.24780	1.7
321.24130	0.9
323.25836	1.0
327.26810	1.3
333.24231	6.5
335.25787	14.9
336.26031	0.7
337.27289	7.6
341.28336	1.0
345.27670	0.7
347.25748	0.6
353.27112	0.6
355.29999	1.3
356.91739	0.5
369.31696	0.8
375.28922	0.6
399.32822	0.7
415.32352	0.5
449.32697	0.8
461.32379	0.6
463.34033	0.5
475.33997	0.8
489.35764	1.3
491.37070	1.0
503.37167	1.7
517.38513	0.8
521.43512	5.7
529.38660	1.1
531.40216	0.8
539.44434	2.4
543.40289	1.8
577.45990	0.6
585.44714	0.6
595.47150	10.2
613.48181	100.0
614.48517	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	613.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01860	2.8
55.05511	6.4
56.46656	1.1
57.03431	5.6
57.07067	2.4
61.02921	8.9
63.10852	0.9
66.63589	1.0
67.05485	6.4
69.03419	19.1
69.07063	9.8
71.04973	3.4
73.02905	2.9
79.05476	4.3
81.03416	9.2
81.07043	17.8
81.07470	0.7
83.04960	2.3
83.08604	3.9
85.02893	100.0
87.04462	2.4
91.03957	4.1
91.05463	6.9
93.07027	20.2
95.04959	2.2
95.08592	21.6
97.02880	31.4
97.06489	1.4
97.10162	3.3
99.03867	1.1
99.04422	5.7
102.90051	0.9
105.07008	13.4
107.08575	21.3
109.02868	8.5
109.06573	1.1
109.10137	17.6
111.11714	3.3
115.03987	0.9
117.07014	3.1
118.67273	1.0
119.08565	29.3
119.09402	2.1
121.10125	28.1
123.08088	1.2
123.11671	12.1
127.03899	26.9
131.08504	5.3
133.10117	16.4
135.11676	37.2
137.13245	11.1
143.08527	1.6
145.04942	39.1
145.10106	8.0
147.11656	13.1
149.13245	17.7
151.14760	1.7
157.10124	2.3
159.11664	11.1
161.13242	10.6
163.05984	11.5
163.14792	9.9
164.02724	0.9
166.05017	0.9
167.07048	1.2
171.11696	1.8
173.13231	8.3
175.14824	8.7
177.16389	6.0
179.14268	1.3
185.13101	0.9
187.14804	8.3
189.16405	4.7
191.14215	1.8
199.14828	3.5
201.16348	9.5
203.17990	1.3
213.16344	2.3
215.17918	7.6
227.17867	5.1
228.18703	4.4
229.19533	4.4
230.01535	1.2
241.19400	1.7
243.21085	1.0
252.74353	1.0
256.21902	1.1
271.24170	93.9
272.24472	1.7
273.25726	1.2
289.25229	15.5
397.27136	1.1
415.28525	1.9
433.28925	1.3
451.30753	2.2
500.06046	1.0
616.49054	1.0
627.26611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66357	2.1
55.01862	6.0
57.03415	5.4
61.10700	2.3
64.71842	1.8
65.03933	4.4
69.03435	4.1
70.06571	15.4
70.19826	11.4
72.08138	4.3
73.08099	2.5
79.05513	2.3
81.03400	9.8
83.01368	2.6
84.04476	2.5
84.08103	2.6
85.02906	20.0
89.02050	2.1
90.44454	1.9
91.05471	3.8
93.03405	11.3
94.79033	2.2
95.04934	5.6
97.02865	11.8
103.03932	4.7
105.07007	5.1
107.01326	2.9
107.04927	18.8
109.02863	14.8
111.04437	8.0
116.07078	3.0
117.07012	2.9
119.04908	6.5
121.02836	20.1
121.06492	4.3
123.04436	12.8
127.03906	4.3
129.10204	2.0
130.08650	12.9
131.04898	4.7
133.02808	3.2
133.06442	5.1
135.04408	20.2
135.05362	3.4
137.02367	4.4
137.05957	9.3
139.03874	5.8
145.02760	3.9
145.06471	6.8
147.04396	8.2
149.02304	4.7
149.05978	4.3
151.03882	7.3
151.92598	2.0
153.01797	5.7
159.04399	9.6
161.05974	9.3
163.03860	26.5
165.01826	8.0
167.03259	2.5
171.04385	5.4
173.02313	3.7
173.05936	7.1
175.00237	4.6
175.03880	6.5
177.01826	16.1
177.05420	10.9
181.04938	4.2
183.02866	4.2
185.05914	3.3
187.03915	12.5
189.01801	21.8
189.05396	5.0
191.03345	16.0
193.01350	3.4
195.02863	39.8
199.03923	2.8
201.05409	11.3
203.03362	13.5
205.01372	5.5
205.04900	6.1
207.02873	42.5
209.04340	2.4
213.05493	2.9
215.03384	10.2
217.01360	3.0
217.04942	6.0
219.02864	88.1
221.00816	3.4
221.04391	8.0
223.02420	11.9
225.03864	28.5
227.03342	6.2
229.04918	17.7
231.02867	38.5
231.06488	4.3
233.04396	20.5
235.02170	2.8
237.03874	28.1
241.04970	2.7
243.02827	26.0
243.06583	4.4
245.04399	9.1
247.05977	4.1
249.03877	23.3
251.05321	3.5
253.04974	4.3
255.02945	7.0
257.04446	16.3
259.02298	3.8
259.05902	2.6
261.03894	100.0
262.04239	2.2
269.04364	7.6
271.06024	7.1
273.03912	36.9
275.05490	4.7
279.04874	3.5
281.04443	4.9
283.05890	2.2
285.03900	41.5
286.04422	2.2
289.03458	3.1
291.04910	24.3
295.05975	3.2
297.03836	13.1
299.05444	8.6
303.04965	37.4
309.03955	6.3
311.05383	4.0
313.07086	15.8
315.04858	8.8
321.06094	20.5
325.07138	10.5
327.01340	4.0
327.04947	46.1
331.08051	3.8
337.06940	3.2
339.07520	24.5
343.08008	27.5
345.05933	10.0
351.04639	3.0
355.08109	32.5
357.06018	8.2
363.07022	29.5
367.08011	17.2
369.06009	4.6
373.09036	7.9
375.07428	4.0
379.08102	11.1
387.07077	8.1
393.08054	8.5
397.09088	33.0
405.08014	28.5
409.09097	26.5
421.09137	16.5
423.08987	13.1
425.08731	3.3
427.10187	14.0
433.09116	7.5
439.10165	18.0
441.10266	20.9
443.09985	3.3
445.11270	30.2
457.11295	22.3
463.10190	23.9
475.12238	32.8
481.11087	9.4
493.11069	4.8
499.12411	17.9
511.12039	13.4
523.11835	10.3
541.13300	12.6
559.14197	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	612.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42221	1.3
53.03934	5.6
55.01871	3.7
55.05502	21.2
57.03426	20.3
57.07064	3.0
65.03930	3.4
67.05495	60.7
69.03416	4.0
69.07055	15.9
71.04966	3.4
71.24752	4.3
79.05480	45.9
81.03407	89.1
81.07044	65.7
81.07530	3.4
83.04958	7.1
83.08607	22.0
85.06512	2.3
91.05462	33.3
93.07029	46.7
95.04961	27.4
95.08595	44.7
97.02915	2.3
97.06538	3.3
97.10156	6.2
102.05147	1.6
105.07010	25.4
106.07293	2.2
107.04945	7.4
107.08580	28.8
109.06512	4.9
109.10142	24.0
111.08040	8.6
117.06954	8.0
119.07797	3.1
119.08559	23.3
121.06468	4.3
121.10124	23.3
123.08047	3.9
123.11703	5.4
125.09654	5.3
129.07010	11.5
131.08559	17.7
133.06459	2.4
133.10101	15.1
135.11664	12.2
137.09633	2.8
137.13258	2.6
142.07787	3.0
143.08537	2.1
145.10123	10.7
147.08008	3.8
147.11656	13.0
149.09602	5.7
149.13239	8.1
155.07065	1.5
157.10133	13.0
159.11667	9.9
161.13257	5.2
163.11183	1.9
163.14815	3.6
165.12788	2.0
169.10194	1.6
171.11717	2.1
173.13239	7.6
175.11185	7.4
175.14775	2.5
185.13240	2.8
187.14804	3.9
189.11203	2.7
193.12215	20.0
198.28654	1.8
211.13318	3.6
227.12788	5.1
243.21114	5.6
249.14711	3.8
261.22116	16.7
267.15875	100.0
268.16251	3.6
301.25107	4.5
315.23245	2.4
317.24612	3.5
333.24170	2.5
335.25757	88.5
336.25986	6.6
435.32654	4.7
453.33640	7.6
454.33762	1.9
471.34854	4.1
527.37195	65.3
528.37274	4.5
545.38208	28.9
546.38580	2.3
594.27075	3.1
612.27844	11.6
612.46930	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	613.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
53.34825	0.8
55.01869	2.2
55.05502	2.7
57.03436	5.0
61.02930	1.1
67.01856	2.8
67.05494	3.4
68.99801	0.8
69.03418	29.4
69.07073	1.8
71.01340	1.7
71.04982	13.5
73.02908	2.1
75.04111	0.8
75.04459	3.8
79.05495	2.3
81.03403	42.9
81.07050	2.8
83.01342	1.1
83.04968	10.4
83.08617	0.9
85.02891	46.9
85.86783	0.9
87.00810	8.7
87.04474	1.8
91.05478	1.9
93.07025	1.8
95.04936	4.1
95.08618	1.3
97.02876	64.4
99.04451	12.3
105.01846	6.9
105.07000	1.8
106.48681	0.8
107.08601	1.6
109.02861	42.5
109.06418	0.8
109.10120	1.3
111.04424	7.6
113.05987	2.1
115.03917	11.3
117.06888	0.8
117.32470	0.7
119.08567	1.3
121.10133	1.3
123.04453	1.5
125.02336	1.4
125.06001	0.7
127.03894	100.0
129.01845	2.3
129.05434	8.7
133.10141	0.9
135.04346	1.2
137.05943	1.1
139.03844	3.7
143.08481	0.8
145.04945	3.3
145.10081	1.4
147.02832	1.3
147.06496	4.1
151.03883	0.9
153.05437	1.0
157.04999	3.3
159.06377	0.9
163.03964	0.8
165.12659	0.9
169.05003	0.8
171.02881	1.9
171.06534	1.4
173.04408	1.0
179.07050	1.0
189.03883	1.1
195.06480	1.1
213.03896	14.7
223.06027	2.7
225.07587	3.4
231.04987	18.9
237.07596	2.1
243.08618	3.0
271.08234	0.8
273.05545	0.9
275.03918	1.0
279.10672	6.7
299.03918	3.5
309.06265	1.1
317.04980	12.1
335.06049	6.9
445.09821	1.8
449.09210	1.3
516.42145	0.9
577.14166	2.0
613.38757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.1
55.05260	2.1
55.05505	21.0
57.03436	14.9
57.07058	7.1
65.03922	4.0
67.05495	75.1
68.05833	2.1
69.07058	19.3
69.60344	18.1
70.06586	4.4
71.04603	2.4
71.04982	43.0
71.08611	2.1
77.57533	1.7
79.05481	49.5
80.14752	1.9
81.03414	2.3
81.07043	100.0
83.04952	4.8
83.08613	11.7
85.06530	10.6
85.10184	2.0
91.05458	67.1
93.07031	51.9
95.04941	9.6
95.08598	32.9
96.17665	1.7
97.06514	11.5
97.10150	5.2
99.04469	2.6
99.08060	4.1
105.06325	2.9
105.07018	57.0
107.08580	31.7
109.06490	5.4
109.10149	21.1
111.08065	3.2
113.84304	1.8
117.07002	17.9
117.31026	1.8
118.59155	1.9
119.08564	43.2
121.06498	2.2
121.09518	1.6
121.10150	20.2
123.11692	15.4
125.09605	4.2
128.06151	2.4
129.06979	11.5
131.08543	27.6
133.10095	43.7
135.07988	2.6
135.11676	13.9
142.07729	2.9
143.08551	11.2
145.10106	18.4
147.11685	22.7
149.09561	3.3
149.13228	11.1
149.14240	2.2
151.11198	10.4
155.08549	3.3
157.10069	9.7
159.11661	20.7
161.13229	12.1
163.14778	2.0
164.76202	2.2
165.12737	2.5
169.10159	3.6
171.11650	11.4
173.13200	12.0
174.13518	2.1
175.11273	2.6
175.14818	5.4
177.12759	4.7
181.10127	2.4
183.11708	4.0
183.13792	4.5
185.13231	7.3
187.13293	4.3
187.14801	3.5
195.13744	2.7
197.13263	4.7
199.14755	3.9
211.14824	2.4
213.16353	3.6
231.21074	2.4
241.19469	13.2
243.15851	4.4
257.17343	6.2
259.20538	27.8
260.20859	2.2
266.89117	2.0
269.17361	5.6
275.20514	1.8
277.21646	3.2
299.18677	2.7
301.20026	27.4
303.04877	2.7
304.05145	2.2
315.23190	9.5
333.24176	32.1
334.24612	2.2
335.25775	2.0
409.30975	8.4
417.31647	2.6
435.32559	4.6
483.34485	5.8
501.35699	87.3
502.35696	5.4
509.36072	3.1
515.37622	2.2
527.37323	37.2
528.37683	4.8
529.28271	2.1
533.38177	6.8
545.38184	5.8
559.39960	22.4
562.57056	2.4
612.47681	2.9
613.25970	8.1
613.40436	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	612.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13227	2.3
52.69655	2.3
53.03928	4.3
54.22773	2.6
55.01857	3.7
55.05494	17.3
57.03430	12.9
57.07075	6.0
67.05496	75.1
68.45466	2.7
69.03443	3.4
69.07047	18.8
71.04587	4.3
71.04979	37.0
71.08611	26.1
71.08958	3.5
79.05481	49.2
81.03405	8.0
81.07046	100.0
82.50081	2.9
83.04975	9.3
83.08607	16.9
85.06529	9.7
87.04421	5.6
91.05457	51.5
91.05939	3.3
93.07030	63.4
95.04962	10.8
95.08599	39.1
95.93780	2.9
97.06509	13.2
97.10155	6.2
99.08078	14.9
105.07014	31.7
107.04948	3.8
107.08584	47.7
109.06501	4.6
109.10159	19.6
111.08080	3.7
117.07025	9.0
119.08572	21.5
121.10134	29.8
123.11758	14.2
124.99987	4.0
131.08557	9.8
133.10097	28.0
135.11664	30.9
137.09569	4.2
143.08551	5.1
144.08075	8.6
145.10112	6.8
147.04407	4.3
147.11723	5.9
149.13210	14.2
151.11168	16.5
157.10056	4.5
159.10451	2.9
159.11700	9.5
161.13208	6.8
163.11234	3.1
171.11711	3.5
173.13297	4.5
176.14316	17.1
177.12770	5.3
179.14290	61.8
183.13904	4.4
185.13319	3.7
185.67747	3.2
187.13335	4.1
189.12668	3.4
195.13808	2.9
198.31557	2.8
202.15868	78.6
220.16949	66.4
225.14833	8.8
251.16483	4.3
259.20401	4.4
269.17377	16.0
277.21603	52.1
296.92239	3.0
300.13562	52.4
300.16840	2.1
301.14136	3.2
301.20062	54.2
325.92786	2.5
333.24088	3.3
335.00217	2.8
335.25452	3.2
351.25302	23.5
416.15201	3.0
436.62119	3.6
466.52432	3.4
519.36761	61.1
520.37286	3.1
533.38373	18.7
545.38312	81.2
546.38489	7.6
565.90741	4.2
577.40894	74.5
578.40979	3.9
594.39099	4.0
612.39722	44.6
612.56696	2.8
613.37445	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	612.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.3
53.03936	8.8
55.00640	2.1
55.01860	12.9
55.05502	37.6
56.94090	2.3
57.03429	20.1
57.07067	3.8
59.05027	3.1
65.03925	4.7
67.05495	98.8
69.03413	10.0
69.06687	2.4
69.07054	47.2
70.06577	3.4
71.04999	11.1
71.79143	3.9
73.02934	2.6
79.05009	3.6
79.05480	75.2
81.03408	74.4
81.07043	100.0
82.07420	3.7
83.04967	29.2
83.08144	4.4
83.08605	43.1
85.02900	29.2
85.06532	7.1
88.07633	4.7
91.04903	5.4
91.05462	92.7
93.07028	72.5
95.01286	2.4
95.04955	41.9
95.08595	49.5
97.02878	4.1
97.06524	21.5
97.10146	14.1
99.08088	3.7
102.09195	3.3
102.80626	2.2
103.05482	2.9
105.07017	64.1
105.07713	4.4
107.04945	17.6
107.08578	47.0
109.06499	12.8
109.10148	17.8
111.04440	4.3
111.08051	17.7
113.05980	3.7
117.06997	19.4
119.08562	50.9
121.06499	7.2
121.10122	25.8
123.08045	7.3
123.11631	5.5
125.09609	14.7
127.07519	4.1
129.06989	18.9
131.08548	36.8
133.06471	6.2
133.10104	38.7
135.08060	5.5
135.11708	14.8
137.09592	5.1
141.06931	3.2
142.07776	3.3
143.08525	7.1
145.06456	3.5
145.10092	20.5
147.04433	12.1
147.08066	4.8
147.11667	31.1
148.04892	3.1
149.02351	3.1
149.09599	27.6
149.13237	9.0
155.08578	3.7
157.10094	23.0
159.08054	2.7
159.11652	12.1
161.13242	5.3
163.11163	12.5
165.12724	6.4
169.10110	2.5
171.11720	3.8
173.13251	5.8
175.11150	17.8
177.12695	5.0
183.11565	3.1
187.11206	3.5
187.14832	3.1
189.11194	7.4
191.06972	13.5
193.12202	53.4
195.13739	6.4
211.13257	75.2
211.15131	4.4
212.13637	2.9
227.12675	23.2
229.19479	3.0
233.84773	2.2
239.17984	4.0
245.13867	4.2
247.20624	4.0
255.15900	12.2
256.26370	7.3
257.18985	10.2
259.13272	7.5
260.13647	4.1
267.15875	25.6
269.17462	19.3
275.20056	38.7
285.16898	55.9
303.05072	5.8
304.05286	8.3
331.22647	3.1
335.25604	5.7
336.26144	4.0
349.23691	45.0
349.27914	3.7
367.24915	3.0
383.11130	8.1
437.25052	3.1
450.29694	2.3
454.76486	3.5
455.26297	3.4
461.28943	12.6
463.30542	4.2
465.28238	13.9
479.29996	48.0
480.30630	3.2
496.32797	3.0
541.35120	8.9
559.36151	24.8
577.37201	4.6
612.34888	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	612.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.3
53.03936	8.8
55.00640	2.1
55.01860	12.9
55.05502	37.6
56.94090	2.3
57.03429	20.1
57.07067	3.8
59.05027	3.1
65.03925	4.7
67.05495	98.8
69.03413	10.0
69.06687	2.4
69.07054	47.2
70.06577	3.4
71.04999	11.1
71.79143	3.9
73.02934	2.6
79.05009	3.6
79.05480	75.2
81.03408	74.4
81.07043	100.0
82.07420	3.7
83.04967	29.2
83.08144	4.4
83.08605	43.1
85.02900	29.2
85.06532	7.1
88.07633	4.7
91.04903	5.4
91.05462	92.7
93.07028	72.5
95.01286	2.4
95.04955	41.9
95.08595	49.5
97.02878	4.1
97.06524	21.5
97.10146	14.1
99.08088	3.7
102.09195	3.3
102.80626	2.2
103.05482	2.9
105.07017	64.1
105.07713	4.4
107.04945	17.6
107.08578	47.0
109.06499	12.8
109.10148	17.8
111.04440	4.3
111.08051	17.7
113.05980	3.7
117.06997	19.4
119.08562	50.9
121.06499	7.2
121.10122	25.8
123.08045	7.3
123.11631	5.5
125.09609	14.7
127.07519	4.1
129.06989	18.9
131.08548	36.8
133.06471	6.2
133.10104	38.7
135.08060	5.5
135.11708	14.8
137.09592	5.1
141.06931	3.2
142.07776	3.3
143.08525	7.1
145.06456	3.5
145.10092	20.5
147.04433	12.1
147.08066	4.8
147.11667	31.1
148.04892	3.1
149.02351	3.1
149.09599	27.6
149.13237	9.0
155.08578	3.7
157.10094	23.0
159.08054	2.7
159.11652	12.1
161.13242	5.3
163.11163	12.5
165.12724	6.4
169.10110	2.5
171.11720	3.8
173.13251	5.8
175.11150	17.8
177.12695	5.0
183.11565	3.1
187.11206	3.5
187.14832	3.1
189.11194	7.4
191.06972	13.5
193.12202	53.4
195.13739	6.4
211.13257	75.2
211.15131	4.4
212.13637	2.9
227.12675	23.2
229.19479	3.0
233.84773	2.2
239.17984	4.0
245.13867	4.2
247.20624	4.0
255.15900	12.2
256.26370	7.3
257.18985	10.2
259.13272	7.5
260.13647	4.1
267.15875	25.6
269.17462	19.3
275.20056	38.7
285.16898	55.9
303.05072	5.8
304.05286	8.3
331.22647	3.1
335.25604	5.7
336.26144	4.0
349.23691	45.0
349.27914	3.7
367.24915	3.0
383.11130	8.1
437.25052	3.1
450.29694	2.3
454.76486	3.5
455.26297	3.4
461.28943	12.6
463.30542	4.2
465.28238	13.9
479.29996	48.0
480.30630	3.2
496.32797	3.0
541.35120	8.9
559.36151	24.8
577.37201	4.6
612.34888	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
51.26980	0.8
53.03937	2.2
55.01857	2.1
55.05503	19.1
57.03429	7.7
57.07070	3.3
59.05009	0.7
65.03938	2.4
67.05495	49.6
69.03423	1.0
69.06686	0.8
69.07056	15.5
71.04961	2.2
71.08634	1.1
71.30915	1.2
77.03915	0.9
79.05481	35.7
81.07043	51.5
83.04968	2.2
83.08611	8.7
84.11488	0.6
85.06538	1.9
91.05460	32.8
93.07030	42.6
94.07355	0.8
95.04948	4.5
95.08591	40.9
97.06522	3.6
97.10171	2.7
99.08094	1.8
105.04488	0.8
105.07014	33.3
106.07337	0.9
107.08580	23.8
109.06509	1.8
109.10139	16.9
111.08078	1.2
111.11763	1.1
113.09660	0.9
115.05437	1.6
117.06213	0.4
117.07001	13.1
119.08565	30.1
121.10122	20.4
121.10967	1.3
122.10455	0.8
123.08083	1.2
123.11698	4.9
127.07598	0.7
128.06221	2.5
129.06987	8.9
130.07808	1.1
131.08548	24.1
133.10110	24.7
135.08093	1.0
135.11671	15.8
137.09618	1.2
137.13222	1.0
139.11067	0.7
141.07001	3.3
141.54683	0.7
142.07826	1.5
143.08536	11.8
144.09288	1.3
145.10100	20.8
147.08072	0.8
147.11668	22.1
149.09650	0.9
149.13237	7.7
151.14772	0.7
155.08554	4.2
157.10110	12.2
158.10904	0.7
159.11673	17.7
161.09724	0.9
161.13242	13.8
163.11177	1.5
163.14876	3.2
167.08536	1.6
169.10085	7.2
170.11029	0.8
171.11676	12.9
173.13239	13.2
174.13673	0.8
175.14754	6.8
177.16391	1.6
181.10141	2.0
183.11693	7.0
184.12434	0.7
185.13228	10.4
187.14804	6.0
189.12685	0.8
189.16441	1.8
191.17685	0.7
193.52750	0.6
195.11723	1.9
197.13226	4.9
199.14789	6.0
199.16338	0.8
201.16365	3.6
203.14375	0.9
203.17946	0.8
207.11679	0.9
209.13235	2.0
211.13020	1.0
211.14703	3.6
213.16406	3.6
215.17879	3.0
215.98154	0.7
221.13228	1.1
221.18904	0.7
223.14861	1.4
225.16403	2.4
227.18001	2.0
229.19421	1.6
231.21117	2.2
237.16487	1.2
239.17973	2.8
241.19518	11.8
243.21175	2.1
245.18938	0.7
255.21216	1.0
257.18939	4.9
259.20535	20.9
260.20673	0.9
261.19510	0.6
261.22058	3.6
271.20532	0.9
273.19101	0.8
273.22131	0.8
275.20132	1.4
291.13858	0.7
297.22131	1.2
311.23679	0.9
313.25266	0.9
315.23227	2.5
323.23697	0.7
325.25220	1.4
333.24197	14.6
335.25793	25.0
336.25943	1.3
337.27393	1.5
339.26865	1.3
343.26224	0.7
353.28363	1.8
367.30029	0.9
409.30984	0.7
449.33939	0.9
489.35556	1.0
501.41400	1.2
503.37427	0.8
519.42102	5.6
520.42554	0.8
529.39410	1.4
537.42859	2.3
541.38831	1.0
542.39911	0.9
552.09082	0.7
593.45551	8.6
611.46613	100.0
612.47046	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01867	1.8
55.05502	13.0
57.03424	2.9
57.07070	4.1
59.56149	0.3
59.86690	0.4
65.03925	1.3
67.05493	24.4
68.08297	0.3
69.07057	11.7
70.11562	1.7
71.04978	1.0
71.08618	2.0
79.05011	0.7
79.05477	16.7
81.07040	23.0
83.04957	1.1
83.08602	7.2
83.09064	0.6
85.06527	1.6
85.10172	0.4
91.05450	14.3
93.07030	19.3
93.96704	0.4
95.04964	2.3
95.08588	20.2
97.06522	2.3
97.10152	3.9
99.08071	1.0
105.07014	15.6
106.07328	0.4
107.08575	11.8
109.06506	1.1
109.10136	9.1
111.08090	1.0
111.11703	0.7
115.05429	1.0
117.06992	9.8
117.07777	0.6
119.08558	13.6
121.06584	0.4
121.10120	8.6
123.08054	1.0
123.11677	2.7
125.09636	1.0
128.06189	1.9
129.06975	9.0
130.07761	0.5
131.08542	17.5
132.08839	0.4
133.10095	8.9
135.11671	4.7
137.09576	0.6
137.13274	1.0
139.11197	0.9
141.06967	2.7
142.07782	1.6
143.08537	12.4
144.09274	0.6
145.08955	0.8
145.10101	15.9
147.07965	0.4
147.11658	5.5
149.09596	0.6
149.13240	2.7
151.11110	0.7
151.14859	0.6
153.06952	0.5
154.07718	0.6
155.08522	6.8
156.09323	1.2
157.10097	12.0
158.10587	0.5
159.07997	0.4
159.11659	10.7
159.12927	0.7
161.13228	3.9
163.14801	1.6
167.08499	2.4
168.09322	0.8
169.10100	8.8
170.10724	0.7
171.11662	10.2
173.13239	6.4
175.14816	2.4
177.12721	0.5
177.16389	1.1
179.08582	0.8
179.14308	1.0
180.09492	0.4
181.10110	4.2
183.11664	7.2
184.12234	0.6
185.11696	0.8
185.13228	7.7
186.13954	0.4
187.14798	3.6
189.16354	1.9
191.17923	1.2
193.10136	1.0
195.11705	3.3
195.13425	0.6
197.13220	6.3
199.13136	0.5
199.14801	4.7
201.16341	3.1
203.17973	1.3
205.19513	0.6
207.11711	1.1
209.13194	3.2
211.14806	4.5
213.12921	0.4
213.14735	0.6
213.16391	4.5
215.17889	2.4
217.19565	0.7
221.13329	1.3
223.14818	2.4
225.16376	3.4
227.14449	0.6
227.18098	3.1
229.15886	0.4
229.19518	2.4
231.17456	0.5
231.20943	0.5
235.14742	1.0
237.16382	1.4
239.17914	1.9
241.19868	2.0
243.21059	1.8
245.19160	0.5
247.20602	0.8
249.16415	0.9
251.17931	1.5
253.19502	1.5
255.21100	1.4
257.19049	1.0
257.22488	0.9
259.20529	0.6
261.22137	0.6
263.17914	0.9
265.19617	1.2
267.17435	0.4
267.21021	1.9
269.18918	0.5
269.22714	0.7
271.20483	0.5
275.19980	1.3
277.21872	0.6
279.20969	0.7
281.22681	0.6
283.20480	0.8
285.22131	0.9
295.24265	0.6
297.22119	1.0
299.23691	0.7
301.21716	0.5
303.04950	0.6
303.13733	0.4
307.24127	0.4
309.22147	0.8
313.21649	0.7
315.23358	0.3
323.23679	1.0
325.25229	0.8
327.23138	0.5
329.24695	0.5
337.25320	0.5
339.23203	0.5
339.26895	1.3
341.24692	0.6
341.28519	0.7
343.26498	0.6
351.26718	0.5
353.24722	0.5
353.28418	1.8
355.06882	0.4
355.26312	0.5
355.30081	0.4
367.25906	0.5
367.29950	0.7
370.38718	0.4
371.25461	0.4
381.31595	0.9
383.29617	0.4
407.28885	0.7
409.30869	0.9
426.99728	0.4
431.32742	0.4
435.31741	0.6
437.34326	0.5
449.33997	1.4
451.36005	0.4
467.35663	0.4
481.32755	0.4
487.35135	0.5
501.40875	1.6
505.36325	0.4
513.35608	0.7
519.41907	7.7
520.42285	0.9
523.38495	0.5
527.37299	0.5
529.38879	0.5
537.43115	5.6
541.38861	0.8
555.41827	0.5
575.44507	0.9
593.45538	10.5
594.45801	1.1
611.46600	100.0
612.37640	0.7
612.47009	9.6
612.57056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03942	3.6
53.39512	0.6
55.01859	2.1
55.05504	17.1
57.03428	7.5
57.07067	4.7
65.03935	2.3
67.05494	46.2
68.05824	1.0
69.03433	0.9
69.07059	17.5
70.29630	3.8
71.04979	2.1
71.08619	2.5
77.03894	1.0
79.05481	33.2
81.03408	5.9
81.07044	47.8
82.07366	1.1
83.04973	2.6
83.08611	9.6
85.06538	2.7
85.10200	0.9
89.06022	1.7
91.05460	30.1
93.07032	41.1
95.04954	5.7
95.08594	36.5
97.06514	3.1
97.10156	4.7
99.08089	2.2
105.04521	1.1
105.07015	32.9
107.04973	0.9
107.08578	21.8
109.06503	2.0
109.10141	16.3
111.08079	3.4
111.11725	0.9
113.05943	0.7
115.05446	1.5
117.07004	14.7
117.07790	1.3
119.08555	29.5
119.90025	0.7
121.10130	17.3
123.08080	1.9
123.11687	4.3
125.09650	2.1
128.06233	1.7
129.05495	1.2
129.06985	9.7
131.08543	24.5
133.08600	1.2
133.10110	20.2
134.10501	0.9
135.11668	13.7
137.09627	1.6
137.13271	2.0
139.11227	0.9
141.06973	1.8
142.07715	2.0
143.08548	12.1
144.68382	0.7
145.10104	20.0
147.11665	17.0
149.09633	1.9
149.13242	8.3
155.08527	6.1
156.09314	1.0
157.10094	14.5
159.11674	15.1
161.13242	13.1
163.11223	0.9
163.14854	3.4
165.12801	0.8
167.08537	1.1
167.14452	0.8
169.10123	6.1
171.11656	12.8
173.13240	9.9
175.14838	7.0
177.16351	1.3
179.08542	1.0
181.10129	3.1
183.11627	5.7
185.13229	8.8
187.14809	6.5
189.16373	2.1
193.12254	1.0
195.11691	2.8
197.13239	4.2
199.14838	6.4
201.16277	4.0
203.18019	1.3
209.13300	2.4
211.14806	2.8
213.14732	0.8
213.16409	4.3
215.17993	2.5
223.14871	1.2
225.16422	2.9
227.18016	2.3
229.19585	1.1
231.21059	1.9
235.14783	0.9
237.16393	1.1
239.17905	2.5
241.19563	9.1
243.21150	1.7
253.19568	1.0
257.19006	3.0
259.20541	15.9
261.22098	5.2
267.15836	4.4
269.22772	0.9
271.20609	1.8
277.21667	1.6
285.22043	0.9
299.23831	1.2
303.04990	1.4
313.21692	0.9
315.23141	2.1
317.24930	0.8
331.22461	0.9
333.24158	10.7
335.25754	22.3
337.27402	0.8
339.26828	1.0
353.28418	1.5
381.31363	0.9
454.59283	0.8
469.45383	0.9
489.35782	1.1
501.41486	1.4
503.37415	1.0
519.41980	6.6
527.37610	3.9
537.43274	4.3
541.38531	1.2
545.38721	1.3
565.91376	0.9
593.45789	7.8
611.46576	100.0
612.47052	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01861	0.3
56.52507	0.2
57.03437	1.8
57.38052	0.2
61.02915	0.4
68.99783	0.3
69.03413	0.9
70.69765	0.2
70.97517	0.4
70.97887	0.2
71.04987	9.5
73.02903	0.4
75.04455	0.3
81.03394	0.6
83.04972	0.4
85.02898	13.3
86.77204	0.2
87.04443	0.5
91.03924	0.4
95.04930	0.2
97.02902	1.1
97.71216	0.2
109.02866	0.5
111.00772	0.5
111.04424	0.3
121.02866	0.7
127.03896	0.7
129.05473	3.4
137.02335	1.6
145.04936	0.7
147.06483	1.1
149.02307	0.3
153.01787	2.1
163.03865	0.3
165.01805	1.4
173.06020	0.3
183.02858	0.6
195.02710	0.3
201.05446	1.0
219.06560	0.3
229.04939	2.6
247.05949	0.6
257.04352	2.2
274.04636	0.4
285.03915	0.8
303.04962	100.0
304.05283	1.0
465.10202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Camelliaside C
Peak:m/z	Relative Intensity
53.03927	0.2
55.01863	0.3
57.03430	1.1
61.02906	0.6
62.31870	0.1
68.99791	0.4
69.03415	2.4
70.06579	0.9
71.04615	0.2
71.04984	3.8
72.08141	0.2
73.02908	0.7
73.61961	0.1
75.04449	0.3
76.02197	0.1
81.03397	1.6
81.07078	0.1
82.03718	0.2
84.04487	0.4
84.08130	0.3
85.02892	10.6
86.09663	0.2
87.04444	0.6
91.03928	0.4
91.05425	0.3
95.04948	0.3
96.08080	0.1
97.02885	2.5
99.04427	0.6
101.27177	0.1
103.03972	0.2
105.03344	0.2
107.04927	0.4
109.02866	1.0
110.07185	0.2
111.00768	0.6
111.04414	0.3
112.01234	0.1
114.09158	0.3
115.05506	0.1
121.02848	2.0
121.03658	0.2
121.06508	0.2
127.03899	1.9
128.07037	0.1
129.05493	1.1
129.06987	0.2
130.05011	0.3
130.08617	0.2
131.04933	0.2
133.02844	0.5
135.04358	0.2
137.02321	1.3
137.05942	0.2
138.04515	0.2
138.05484	0.6
138.82310	0.1
139.03908	0.2
144.12660	0.1
145.04961	1.4
145.06174	0.2
147.04362	0.8
147.07628	0.6
151.03893	0.3
153.01811	2.8
157.06480	0.3
161.05905	0.2
163.03896	0.5
165.01811	1.5
167.07007	0.2
173.05991	0.2
175.03877	0.2
177.05437	0.5
179.03349	0.2
183.02780	0.8
185.05902	0.3
200.94608	0.1
201.05348	0.4
213.05429	1.0
229.04936	0.7
231.06599	0.7
235.07602	0.3
241.05045	0.7
242.05589	0.2
253.10503	0.2
257.04443	0.4
258.05234	1.0
259.05981	0.5
285.03775	0.2
285.16913	0.2
287.05447	100.0
288.05795	2.4
303.04938	17.1
304.05322	0.3
329.06421	0.2
449.10703	9.8
450.11035	0.2
465.10214	3.0
611.20679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.139
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.00304	0.5
55.01867	0.9
56.96558	0.7
65.03927	0.5
67.05509	0.5
68.99775	5.5
70.50119	1.3
76.02261	0.4
81.03406	2.0
83.04971	0.4
85.02878	1.1
85.23156	0.4
95.04963	1.2
96.08105	0.4
97.02890	0.8
98.06046	0.9
98.20812	0.5
99.04442	0.9
105.03375	0.8
107.04917	1.1
109.02880	3.2
111.00793	5.7
111.04421	1.7
117.03378	0.6
119.04950	0.7
120.08115	1.0
121.02844	1.5
122.06033	0.6
123.04420	9.3
127.03897	82.1
128.04243	1.2
131.04938	1.0
133.02814	2.1
135.04350	2.5
137.02284	0.8
137.05936	0.8
139.03883	100.0
140.04230	1.4
140.07042	2.4
141.07390	0.9
145.02840	0.5
145.06473	0.5
147.04375	5.0
149.02324	2.5
149.05914	0.8
151.03886	27.0
153.01816	0.9
153.05495	0.6
155.03419	1.6
157.06551	0.6
158.08118	0.7
159.04359	1.1
161.02341	0.7
161.05943	1.1
163.02623	0.3
163.03880	8.9
165.01836	0.5
165.05466	2.1
167.03386	5.4
169.04909	1.5
169.06351	0.5
171.04424	1.8
173.06036	0.7
175.03891	10.4
177.00656	0.6
177.05457	5.5
179.03372	33.8
180.03755	0.7
181.04935	3.2
183.04359	0.5
185.06000	1.7
187.04013	0.8
189.05489	3.4
191.03387	11.6
193.04932	3.5
195.06435	0.7
197.05986	0.6
199.03886	2.4
201.05428	3.9
203.03369	16.5
205.04962	2.9
211.03918	0.7
213.05466	4.9
215.03371	0.9
215.07179	0.6
217.04967	4.9
219.06508	0.7
223.06093	0.7
225.05458	0.7
227.03439	0.7
229.04956	5.8
231.06528	3.5
233.04420	7.8
241.05006	2.3
243.06557	0.7
245.04427	13.2
246.65681	0.4
247.06126	1.2
251.05611	2.6
257.04413	15.2
258.05054	1.3
259.05972	3.4
263.05490	19.4
269.04382	3.4
271.06100	2.4
275.05484	20.1
277.07022	0.6
281.04395	0.9
287.05469	40.5
288.05756	0.7
289.06924	2.8
299.05450	14.8
301.07123	0.6
305.06543	13.5
307.08075	10.9
311.05463	1.1
317.06512	22.7
319.07996	1.4
329.06631	0.7
389.07321	0.5
395.07681	0.6
407.07678	2.4
425.08636	21.8
426.09015	0.7
443.09656	19.2
444.10004	0.8
449.09033	0.6
455.09421	0.8
467.09653	1.9
474.68805	0.6
620.54462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01857	2.7
55.05503	16.3
57.03417	2.1
57.07058	3.6
65.03945	2.6
67.05495	45.4
69.07059	16.7
71.04969	3.7
71.08620	27.1
79.05008	1.9
79.05479	45.3
81.03403	4.5
81.07043	48.1
83.04984	7.4
83.08595	9.0
85.06511	2.3
86.14819	0.9
91.05460	50.1
93.07030	55.9
95.04958	9.0
95.07990	1.9
95.08597	39.2
97.06501	7.4
97.10139	4.9
99.08080	16.4
103.05451	2.0
105.04511	1.4
105.07018	49.0
107.04964	8.7
107.08578	29.8
107.09315	1.3
109.06515	3.4
109.10126	12.5
111.08057	1.6
113.09634	2.2
115.05434	1.4
115.96532	1.0
117.06997	16.7
119.08559	37.2
121.06496	2.8
121.10130	17.9
123.08023	2.1
123.11648	2.1
125.09626	1.5
128.06195	3.3
129.06976	7.7
131.08542	22.0
133.06430	1.4
133.10106	28.8
135.08089	1.6
135.11668	21.5
137.09607	2.6
139.11264	1.3
141.06987	1.8
141.09102	1.9
142.07744	1.0
143.08539	10.1
145.10117	15.2
147.11658	17.1
149.09583	2.7
149.13232	10.2
151.11118	8.5
153.12579	1.2
155.08514	2.0
157.10103	5.6
159.11691	13.3
161.09709	1.0
161.13243	13.9
163.11159	4.2
163.14824	3.4
165.12709	1.3
167.10698	2.4
169.10123	3.7
171.11638	6.5
173.13177	6.2
175.11162	1.4
175.14824	4.0
177.12726	2.5
179.14287	57.1
181.10086	1.2
183.11681	4.2
185.13258	6.0
187.14812	3.6
189.12756	1.6
189.16351	1.2
195.11681	2.4
195.13766	1.1
197.13261	2.1
199.14827	5.0
201.16580	1.3
209.13173	1.1
211.14847	1.2
213.16434	2.1
217.19499	1.9
219.17462	1.2
221.15277	1.3
223.14935	1.6
225.16562	1.4
231.20953	1.4
235.14819	1.1
235.16972	2.7
239.17972	1.2
241.19496	8.8
243.21123	1.3
257.18958	1.7
259.20505	11.5
275.20059	10.5
277.21591	43.6
293.20932	1.4
295.22617	4.0
297.22156	1.5
315.23135	14.6
317.24847	2.7
349.23734	2.2
351.25266	8.1
355.06949	1.5
417.30688	1.1
462.90366	1.1
483.34741	2.1
517.40472	1.9
535.41473	1.5
553.43060	1.7
591.43964	2.6
609.45007	100.0
610.45673	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	609.4502
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03924	1.6
55.01863	2.0
55.05500	10.5
57.03420	2.7
57.07053	1.3
65.03923	1.3
67.05492	24.1
69.03432	0.5
69.07058	10.8
69.45321	5.1
71.04966	0.7
77.36136	0.4
79.05480	16.6
81.03401	0.6
81.07040	22.7
82.80784	0.4
83.04972	1.1
83.08613	4.7
83.57140	0.4
85.06516	1.7
91.05461	14.7
93.06427	0.6
93.07027	17.9
95.04954	2.4
95.08591	19.8
97.06522	2.1
97.10138	2.8
105.07007	14.0
107.04926	1.1
107.08569	11.9
109.06490	1.1
109.10134	7.3
111.08047	1.1
115.05451	1.1
117.06995	7.2
119.08557	14.8
119.09396	1.0
121.06510	0.6
121.10129	7.8
123.08060	1.0
123.11691	2.6
125.09588	1.4
128.06204	1.6
129.06978	9.1
130.07748	0.6
131.08540	13.0
133.10101	9.2
135.10703	0.7
135.11665	5.2
137.09573	0.7
137.13249	0.8
141.06937	3.2
142.07745	2.2
143.08537	9.9
143.09613	0.8
144.09294	0.9
145.06415	0.6
145.10098	13.8
147.11646	5.5
149.09587	1.5
149.13255	2.4
153.07024	1.2
154.07715	1.0
155.08546	7.5
156.09302	0.6
157.10109	10.0
158.10841	0.4
159.11678	8.3
161.13220	2.9
162.37415	0.4
163.11201	1.0
163.14771	0.7
165.06989	0.8
166.07732	0.7
167.08534	4.5
168.09335	0.9
169.10095	9.7
169.11458	0.7
170.10892	1.0
171.11656	8.4
171.13036	0.7
173.13235	5.4
175.14830	1.8
177.12808	0.5
179.08537	1.2
179.14285	0.7
181.10095	5.5
182.10915	1.0
183.11668	10.7
183.13284	0.5
185.13222	7.5
187.14769	3.6
189.16408	1.2
193.10127	1.9
195.11656	4.4
196.12386	0.5
197.13202	7.7
199.14807	3.7
201.16380	1.2
203.17877	0.7
207.11705	1.9
209.13240	4.5
210.14023	0.7
211.14792	5.6
213.12784	0.5
213.14610	0.5
213.16443	2.7
215.17883	1.2
221.13240	1.7
223.14743	3.7
225.16333	3.1
227.17949	1.9
229.19438	0.4
233.13321	1.0
235.14825	1.2
237.16400	3.6
239.17889	2.9
241.19536	1.4
247.14847	0.5
249.16379	1.1
251.17917	1.4
253.19612	1.0
257.18906	2.3
259.20544	0.4
261.22214	0.7
265.19482	1.2
267.21243	0.8
275.20117	4.8
277.19547	1.2
279.21182	0.7
283.20630	0.6
297.18726	0.5
297.21948	0.7
309.21991	0.7
311.20151	0.5
311.23602	0.6
313.21765	0.5
321.22061	0.7
323.23798	1.0
335.25769	1.4
337.25177	1.1
349.25098	1.0
351.26855	1.8
353.24619	0.5
363.26828	0.9
365.28305	1.1
367.26312	0.7
395.29330	0.5
403.30066	0.6
407.28934	0.7
433.30939	0.6
435.32709	0.6
445.34540	0.5
447.32495	1.2
449.34113	0.6
461.34024	0.7
475.35269	0.4
483.34741	0.5
487.34592	0.5
499.39633	0.9
501.35349	0.8
517.40302	7.7
527.37122	1.0
535.41498	4.2
539.37219	1.5
540.37671	0.6
541.39001	0.7
549.25531	0.6
553.41534	0.4
573.43048	0.9
591.43976	8.5
591.53314	0.6
609.45020	100.0
610.45245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.68586	0.4
53.03942	1.4
55.01857	1.5
55.05500	12.4
57.03427	2.8
57.07053	1.2
59.90010	0.4
65.03936	1.0
67.05128	1.0
67.05493	20.9
68.05814	0.5
68.29300	0.4
69.07056	11.8
69.57545	1.6
69.57966	2.3
71.04976	1.4
71.08623	0.5
79.05479	13.5
81.03426	0.6
81.07041	21.8
83.04971	1.0
83.08603	7.0
85.06523	1.0
85.25055	0.4
91.05454	12.5
93.07027	14.2
95.04955	2.0
95.08592	18.6
97.06514	2.0
97.10159	3.6
99.08079	1.0
105.07014	12.3
107.08578	7.9
109.06521	1.1
109.10136	8.1
111.08076	0.9
115.05423	1.0
117.07003	7.0
117.07782	0.7
119.07723	0.7
119.08564	11.5
121.10122	6.4
123.08057	1.0
123.11684	2.3
125.09618	1.2
128.06184	2.6
129.06984	9.6
131.08545	12.2
132.31729	0.4
133.10107	10.0
135.07999	0.6
135.11662	4.4
137.09531	0.6
137.13287	0.8
139.11169	0.8
140.28310	0.4
141.06949	4.2
142.07738	2.7
143.08539	13.1
144.09331	0.4
145.10095	11.4
145.11194	0.6
147.08005	0.5
147.11652	6.2
149.13234	2.3
153.07033	1.2
154.07733	1.3
155.08521	10.5
155.09779	0.7
156.09300	1.5
157.10098	12.0
159.11671	8.6
161.13263	3.3
163.11270	0.5
163.14818	0.8
164.14478	0.4
165.06979	0.7
167.08534	5.0
168.09341	1.8
169.10103	13.3
170.10838	1.0
171.11653	12.2
173.09631	0.6
173.13197	4.8
175.14845	1.7
177.12859	0.5
177.16405	0.7
179.08563	2.0
180.09277	1.2
181.10114	7.7
182.10854	1.6
183.11655	14.6
184.12428	0.6
185.13226	8.6
185.14722	0.7
186.99065	0.5
187.14757	2.9
189.16364	0.9
193.10109	2.6
194.10767	0.7
195.11664	8.0
196.12387	0.7
197.13243	10.3
199.14803	5.8
201.16429	1.8
203.17972	0.6
205.10095	0.7
207.11693	3.8
208.12518	0.7
209.13234	8.5
210.14014	0.6
211.14786	7.1
213.16368	4.8
215.17928	0.8
219.11688	1.0
221.13234	2.7
223.14810	6.3
224.15364	0.6
225.16324	5.0
227.18030	2.8
233.13202	1.1
233.18988	0.5
235.14703	2.6
237.16338	4.4
239.17906	3.8
241.19527	1.9
247.14705	0.6
249.16408	2.0
251.17856	2.6
253.19553	1.5
255.21210	1.2
261.16470	0.6
263.17966	1.7
265.19482	1.9
267.21216	1.1
269.19037	0.6
277.19333	1.0
279.21136	1.2
281.22571	0.9
283.20450	0.9
285.22137	0.8
287.20029	0.5
293.22858	0.5
295.23615	0.5
297.22021	0.8
299.20071	0.5
299.23547	0.5
305.22610	0.7
307.20645	0.5
309.22141	0.8
311.23792	0.8
313.21652	0.7
319.24164	0.7
321.22134	1.6
323.23868	1.6
325.25070	0.8
327.23129	0.7
335.23627	1.0
337.25281	1.3
339.23129	1.0
341.24619	0.9
347.23578	0.8
349.25287	1.4
351.26785	2.2
363.26965	1.4
365.28543	1.4
367.26254	0.6
377.28256	1.0
379.25729	0.6
379.30020	1.4
381.27689	0.7
389.28461	0.8
391.29898	1.4
393.31628	0.7
395.29294	0.5
405.31934	0.7
407.29309	1.1
409.30826	0.6
435.32645	1.2
447.32568	1.7
449.34259	1.1
499.39340	1.7
503.36310	0.4
517.40356	12.7
525.35718	0.6
535.41418	6.7
539.37372	1.4
541.38562	0.7
553.42395	1.0
555.42224	0.8
573.42957	2.3
591.44006	16.4
609.45013	100.0
610.45520	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	609.4503
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.97311	0.3
53.03931	1.3
55.01859	1.4
55.05502	11.2
56.63227	0.3
57.03430	3.7
57.07055	1.0
65.03929	1.0
67.05492	20.8
69.03421	0.7
69.07058	10.6
71.04963	1.0
71.08603	0.6
72.72873	0.3
79.05009	0.6
79.05477	13.6
81.07041	21.9
83.04964	1.1
83.08600	6.2
85.06522	1.4
91.05463	12.1
93.07025	15.7
95.04960	1.9
95.08589	18.9
97.06524	1.5
97.10139	3.8
99.08079	0.5
103.05448	0.4
104.94969	0.3
105.04491	0.4
105.07015	13.6
107.04929	0.4
107.08571	10.8
109.06496	0.9
109.10135	7.9
111.08061	0.9
115.05457	0.8
116.06216	0.3
117.06995	7.6
119.08562	12.0
121.06488	0.4
121.10123	7.9
123.08046	0.6
123.11691	2.6
125.09619	0.8
128.06183	2.2
129.05518	0.4
129.06978	9.9
130.07756	0.9
131.08539	12.3
133.10106	10.0
135.08105	0.4
135.11665	4.2
137.09560	0.6
137.13255	1.0
139.11147	0.5
141.06953	4.8
142.07755	2.4
143.08534	11.9
144.09282	0.5
145.10097	13.8
147.11652	5.5
149.09604	0.8
149.13229	2.2
151.14842	0.4
153.06923	1.5
154.07732	1.4
155.08531	9.4
155.09767	0.5
156.09335	1.5
157.10103	12.7
158.10905	0.5
159.08000	0.3
159.11664	9.2
161.09612	0.4
161.13234	3.4
163.14778	1.0
165.06978	1.1
166.07739	0.6
167.08539	4.7
168.09319	1.7
169.10106	12.8
170.10855	1.1
171.11661	11.2
172.12311	0.3
173.09720	0.3
173.11790	0.6
173.13228	5.7
175.11107	0.5
175.14783	2.1
177.12767	0.5
177.16406	0.5
178.07770	0.3
179.08516	2.2
180.09311	0.8
181.10078	7.6
182.10971	1.4
183.11665	13.3
184.12416	0.5
185.09727	0.4
185.11751	0.3
185.13223	7.4
187.14767	3.3
189.16400	1.1
191.08458	0.4
192.09335	0.4
193.10040	2.0
194.10896	0.5
195.11659	7.7
196.12415	0.7
197.13220	10.9
198.13756	0.3
199.13184	0.5
199.14792	5.0
201.16388	2.3
203.17940	0.6
205.09990	0.7
207.11632	2.7
208.12448	0.6
209.13226	7.3
210.13875	0.5
211.14777	6.5
213.12830	0.5
213.14568	0.5
213.16374	3.7
215.17943	0.8
219.11749	1.0
219.83586	0.3
220.12462	0.3
221.13228	2.4
222.14079	0.4
223.14796	4.6
225.16402	4.3
227.14383	0.5
227.16016	0.4
227.18039	2.9
229.15926	0.4
229.19490	0.7
230.00591	0.3
231.11786	0.3
231.17294	0.5
233.13231	1.2
233.19040	0.4
235.14758	1.9
237.16365	4.3
239.14304	0.4
239.17986	2.5
241.17621	0.5
241.19577	1.1
247.14746	0.8
249.16325	1.6
251.17947	2.5
253.19568	1.7
255.17307	0.3
255.21138	0.6
257.19049	0.9
259.20551	0.8
261.16266	0.6
263.17825	1.4
265.19498	1.3
267.21057	1.0
269.18814	0.6
271.20605	0.5
275.20041	1.0
277.19418	0.6
279.21030	1.0
281.18814	0.5
281.22620	0.4
283.20529	0.5
285.18445	0.4
285.22049	0.3
287.23657	0.4
289.19385	0.5
293.18854	0.3
295.20569	0.7
295.24088	0.6
297.22177	0.7
299.20026	0.6
307.20468	0.8
309.22021	0.9
311.20160	0.4
311.23633	0.6
313.21579	0.7
319.20462	0.3
319.23932	0.5
321.22150	1.1
323.20157	0.4
323.23691	1.3
325.21652	0.7
325.25131	0.5
327.22940	0.7
335.23792	1.1
337.24979	1.5
339.23123	0.7
339.26788	0.7
341.24826	1.0
349.25137	1.2
351.23108	0.5
351.26929	1.5
353.24597	0.6
355.26428	0.5
361.25131	0.7
363.26816	0.7
365.24292	0.5
365.28360	1.3
367.26242	0.8
369.28030	0.7
375.26596	0.5
377.28491	0.8
379.25906	0.7
379.30255	0.7
381.27841	0.5
389.28345	0.6
391.29895	1.0
393.31799	0.7
395.29404	0.5
405.31335	0.8
407.29083	0.7
409.31119	0.7
415.29568	0.4
421.30820	0.6
425.30374	0.5
431.33148	0.4
433.30792	0.4
447.32532	1.4
449.34253	0.8
461.33914	0.9
475.35211	0.7
483.34644	0.4
493.33527	0.4
499.39777	1.6
501.35876	0.7
507.34595	0.4
513.35999	0.4
515.37329	0.5
517.40387	11.2
518.40417	0.9
521.36383	0.5
523.37866	0.3
527.36444	0.4
535.41479	5.8
539.37518	1.2
540.38220	0.5
541.38763	0.5
549.23724	0.5
553.42279	0.6
555.42194	0.7
565.42365	0.5
567.41174	0.4
573.42700	1.7
591.44006	12.9
592.44452	0.6
609.25781	3.5
609.45013	100.0
610.25787	0.5
610.45453	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.1
51.02370	1.5
53.03944	7.0
55.01864	7.6
55.05502	25.3
57.03433	4.2
57.07059	2.6
59.04996	1.2
65.03934	2.8
67.05495	66.0
67.60481	1.1
68.05773	1.2
69.03407	1.7
69.06680	2.5
69.07056	38.7
71.02672	4.0
71.04988	2.8
71.08626	1.2
79.05482	60.8
81.03414	7.4
81.07046	73.1
83.04973	8.4
83.08624	7.4
85.06533	2.6
85.10170	1.3
91.05464	67.3
93.07031	65.4
95.01318	11.2
95.04948	17.2
95.08594	49.2
95.09193	2.6
97.06509	16.3
97.10158	5.0
103.05461	3.3
105.04485	1.9
105.07018	75.8
106.07329	1.3
107.04946	16.7
107.08576	32.3
108.08919	1.1
109.06487	5.5
109.10143	13.4
111.04416	1.2
111.08057	2.3
115.05426	1.5
117.07009	19.3
119.08562	42.4
121.06501	2.8
121.10131	18.3
123.04428	3.9
123.08058	4.5
123.11728	2.3
125.09612	3.4
129.06979	4.6
131.08549	26.0
133.10112	39.4
135.08070	4.1
135.11674	11.8
137.09641	2.4
139.07552	1.5
141.06969	2.1
143.08536	3.9
144.09317	1.1
145.06543	1.6
145.10100	22.2
147.11670	17.5
149.09583	5.5
149.13206	6.1
153.12724	1.7
153.85947	1.4
155.08553	2.2
156.09038	1.4
157.10098	3.8
159.11707	13.4
161.13220	8.1
163.11119	2.7
165.09177	2.7
169.10133	3.8
171.11682	4.9
173.13280	4.4
177.12756	4.3
179.14291	17.9
183.11768	2.7
185.13199	1.3
187.11121	3.4
189.16403	1.3
195.13910	1.2
197.13321	2.0
205.12239	1.4
214.79707	1.5
219.17407	28.2
220.17590	1.6
229.19513	2.7
233.15204	1.6
239.17966	2.7
241.14519	1.3
247.20702	2.1
257.18979	7.4
275.20026	91.9
276.20410	1.6
293.21072	7.2
317.25027	1.3
331.32333	1.4
335.25919	2.9
349.23782	2.6
398.77884	1.3
403.41946	1.1
481.28128	1.4
549.26917	1.4
609.30707	9.1
609.45044	100.0
610.45569	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
53.66297	0.2
55.01866	0.4
55.05506	1.7
56.85384	0.3
57.07072	0.6
59.43451	0.3
59.48044	0.2
62.89182	0.2
65.03946	0.4
67.05492	4.6
69.07057	2.2
69.67328	0.2
70.98127	0.7
71.04987	0.2
79.05476	4.1
81.03406	0.2
81.07043	4.1
81.07487	0.5
83.04980	0.5
83.08604	0.6
91.05437	2.9
93.07030	3.9
95.04951	0.8
95.08588	2.7
97.06512	0.8
99.08025	0.3
105.07007	3.8
107.04949	0.6
107.08576	2.2
109.06518	0.4
109.10130	1.5
113.79620	0.3
117.06978	1.3
119.08566	2.5
121.10119	1.6
125.09620	0.3
129.06989	0.8
131.08551	2.0
133.10098	1.8
135.11649	0.9
137.09616	0.3
139.98880	0.3
141.06972	0.3
143.08569	0.8
145.10147	2.2
147.11681	1.1
147.83899	0.3
149.09598	0.7
149.13220	0.5
155.08563	0.8
157.10115	1.0
159.11679	1.2
161.13231	0.5
163.11130	0.5
163.14806	0.3
169.10138	0.5
171.11720	0.9
172.15858	0.3
173.13216	0.4
175.14786	0.4
179.14284	0.4
181.10068	0.5
183.11748	0.8
185.13260	0.3
191.59459	0.3
195.11856	0.5
197.13213	0.5
197.55176	0.3
199.14813	0.3
209.13315	0.3
213.13924	0.3
213.16376	0.4
221.11005	0.3
221.62688	0.3
237.13885	0.3
251.18158	0.3
257.18976	1.3
261.22089	0.3
275.20001	3.0
288.64597	0.3
308.77994	0.3
312.49289	0.3
331.22937	0.5
335.25824	0.6
354.15784	0.3
390.18631	0.4
391.19543	0.4
402.19241	0.4
404.20764	0.4
405.20767	1.2
414.18567	0.5
415.19116	1.1
416.19919	0.8
417.21136	0.6
418.21893	0.6
419.18048	0.6
419.22540	1.1
420.23441	0.4
428.20313	0.5
429.20847	2.4
430.21622	0.9
431.18262	0.7
431.23215	0.5
432.19629	0.4
433.24936	1.7
434.20660	0.6
435.21719	0.9
443.22791	1.3
444.23431	1.8
445.19656	0.4
445.24103	0.9
447.22501	2.4
448.22446	0.8
449.23349	1.1
456.19510	0.4
457.19656	0.5
458.24930	0.6
459.21329	4.0
460.22556	3.0
461.19250	2.3
461.23727	3.0
462.19553	1.7
463.21146	0.9
472.22665	2.0
473.23715	1.3
474.24561	0.7
475.20493	0.5
475.25562	0.8
476.21875	2.4
477.22845	2.5
485.23282	1.2
486.23932	0.5
487.25049	3.2
489.22870	2.0
490.23489	0.8
492.25256	0.5
494.22568	0.3
503.24750	1.9
505.18558	0.5
511.37540	0.5
519.23755	2.1
521.21344	2.3
522.22290	0.4
531.23877	21.5
532.24408	2.6
535.23572	0.3
535.41510	0.4
549.24921	13.3
550.25519	1.1
563.26563	1.0
580.23083	0.5
591.26031	3.0
591.43536	0.4
608.43707	0.5
609.27008	100.0
609.44788	9.2
610.27350	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	609.27
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03941	0.4
54.49887	0.3
55.01875	0.4
55.05498	1.4
56.73061	0.3
57.03423	0.3
57.07053	0.3
65.03950	0.4
67.05500	3.2
69.07063	1.3
69.80730	1.7
79.05482	2.1
81.03406	0.3
81.07038	3.2
83.08595	0.3
91.05457	2.5
92.64810	0.2
93.07025	2.1
95.04953	0.5
95.08577	2.5
97.06530	0.7
98.20958	1.0
105.07010	1.8
107.04945	0.6
107.08601	1.4
108.52020	0.2
109.10162	1.0
110.65971	0.2
117.07001	0.6
119.08568	1.3
121.10128	0.9
123.11721	0.3
125.77351	0.3
131.08565	1.0
133.10132	0.9
134.79970	0.3
135.11694	0.6
135.24184	0.3
145.10152	1.1
147.11630	0.5
149.09637	0.5
149.73393	0.3
151.11067	0.3
155.08595	0.5
157.10197	0.3
159.11670	0.6
161.13235	0.4
169.10150	0.7
172.73009	0.3
179.14290	0.4
181.10182	0.3
183.11778	0.6
184.27370	0.3
184.96490	0.3
185.13319	0.4
187.14803	0.3
197.13235	0.4
257.18893	0.5
271.88052	0.3
275.19934	1.4
331.22751	0.3
335.25696	0.5
338.98474	0.3
375.15930	0.3
377.17682	0.5
389.17758	0.6
390.18390	0.5
391.19196	1.2
401.17206	0.6
402.18747	0.6
403.19443	1.5
404.19913	0.7
405.16122	0.4
405.21222	1.7
406.21432	0.8
407.22266	1.4
415.19080	0.9
416.20261	0.6
417.16974	1.3
417.21829	1.3
418.17850	1.1
419.17490	0.5
419.22925	3.0
420.23016	1.0
421.24136	0.4
429.21176	0.7
430.17401	0.8
430.22415	0.4
431.17978	2.6
431.23633	0.5
431.78693	0.3
432.19122	0.9
432.23883	0.6
433.20209	6.5
434.20605	0.9
435.21747	0.9
443.18164	1.4
444.18719	1.8
445.19708	4.0
446.21280	3.2
447.21936	3.9
448.22656	1.8
449.23352	0.6
457.19971	0.5
458.20920	4.7
459.21759	4.1
460.22751	3.1
461.19312	0.5
462.23911	0.4
463.20807	2.4
465.22427	0.3
472.22589	0.4
473.23676	1.4
475.21042	1.3
476.21710	1.6
477.22552	1.9
479.24200	0.4
489.18524	0.5
490.23495	0.8
503.24686	0.8
505.22357	1.0
517.22327	0.6
518.23041	3.4
519.23871	8.6
520.24286	1.2
521.25891	2.6
531.23883	1.5
532.24878	0.9
535.23407	0.6
549.24829	7.1
550.25311	0.5
563.26569	0.9
579.26135	0.4
581.26727	0.5
591.25897	10.9
592.26117	0.6
609.26923	100.0
609.44629	5.2
610.27313	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03948	0.3
55.05508	2.0
66.05859	0.3
67.05492	4.8
69.07060	1.8
69.96955	1.1
69.97367	0.6
79.05484	4.4
81.07047	4.2
83.04952	0.4
83.08602	0.7
91.05450	3.7
93.07029	3.4
95.04958	0.7
95.08594	3.0
97.06516	1.0
97.63847	0.3
105.07003	3.4
107.04976	0.5
107.08577	2.6
109.06506	0.5
109.10129	2.0
111.08075	0.3
117.07014	1.3
119.08541	2.2
121.10116	2.1
129.06984	0.9
131.08560	2.1
133.10107	1.5
135.11717	0.8
141.06990	0.4
143.08528	1.1
145.10110	2.7
147.11711	0.9
149.09619	0.7
149.13182	0.4
151.11169	0.5
155.08565	0.6
157.10129	0.9
159.11655	1.4
163.11150	0.5
169.10121	0.6
171.11696	0.8
173.13219	0.9
178.73735	0.3
179.14320	0.5
181.10225	0.4
183.11693	0.6
185.13264	0.6
195.11705	0.3
197.13275	0.6
209.13223	0.3
211.14806	0.4
222.58939	0.3
237.13843	0.4
239.17978	0.5
243.05255	0.3
257.19089	1.2
265.27820	0.3
275.20053	2.6
275.33871	0.3
293.21140	0.4
331.22540	0.4
335.25720	0.5
389.17612	0.3
391.19418	0.7
403.19434	0.5
404.20279	0.4
405.20792	1.0
415.19180	1.4
416.19907	0.8
417.21088	0.6
419.17920	0.6
419.22540	1.3
420.23340	0.5
421.20135	0.5
427.19312	0.5
429.20816	2.8
430.21426	1.3
431.18707	1.0
431.23248	0.5
432.19244	0.4
433.24734	2.2
434.20596	0.4
435.21622	0.5
436.18912	0.5
442.21552	0.3
443.22327	1.3
444.23563	1.8
445.19498	0.5
445.24127	1.1
446.25220	0.4
447.22910	1.9
448.22919	0.6
449.23486	1.4
456.19382	0.4
457.19846	0.7
458.24881	0.8
459.21271	4.2
460.22565	2.8
461.18973	1.6
461.23578	2.8
462.19727	2.1
463.21271	0.9
472.22626	2.1
473.23294	1.3
474.23975	0.9
475.19876	0.5
475.25565	0.8
476.21887	3.4
477.22961	2.5
485.23297	1.2
486.23752	0.5
487.25085	4.0
489.22882	2.4
490.23236	0.8
493.26599	0.4
503.24850	2.2
505.18909	0.4
507.23648	0.5
511.38055	0.4
515.24823	0.4
519.23743	1.9
520.23871	0.3
521.21423	3.6
531.23853	23.5
532.24377	3.8
534.22913	0.4
535.23181	0.5
535.41412	0.4
549.24915	14.1
550.25208	1.6
563.26801	0.9
580.23120	0.5
581.27789	0.6
591.25952	3.4
591.43304	0.4
608.43750	0.5
609.27020	100.0
609.44775	9.0
610.27307	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	609.2698
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.70701	0.3
55.05498	0.9
67.05489	2.3
69.07058	0.9
69.45924	3.6
78.37702	0.3
79.05490	2.1
80.64109	0.3
80.80129	0.3
81.07041	2.2
91.05456	1.8
93.07039	2.1
95.08582	1.6
100.65150	0.3
105.07014	1.9
105.07625	0.3
107.08577	1.3
109.10147	1.1
117.07017	1.0
117.36713	0.3
117.66356	0.3
119.08569	1.0
121.10155	0.7
126.26488	0.3
130.66331	0.3
131.08549	1.2
133.10098	0.8
135.11812	0.4
142.50581	0.3
143.08592	0.6
145.10120	2.1
147.11632	0.7
149.09563	0.4
153.11172	0.3
153.53555	0.4
155.08517	0.3
157.10052	0.4
159.11699	0.8
163.11050	0.4
171.11667	0.6
211.12325	0.3
223.12148	0.5
224.12985	0.5
237.13953	0.4
239.15514	0.3
239.17990	0.3
251.15527	0.5
257.18961	1.7
261.13834	0.3
275.20023	1.5
311.14203	0.4
325.25189	0.3
335.25833	0.7
375.17288	0.3
376.17209	0.7
377.17599	0.7
378.18674	0.4
388.17188	0.4
389.18121	0.8
390.18811	0.7
391.19315	1.8
392.19858	1.5
393.20416	0.4
401.17667	0.7
402.19144	0.5
403.19604	1.0
404.20667	0.7
405.20938	2.9
406.21365	1.4
407.22290	3.6
413.17477	0.4
414.18018	0.4
415.19070	2.3
416.20190	0.6
418.21869	0.7
419.18481	1.1
419.22937	0.8
420.23193	0.7
421.23907	3.8
422.24399	0.7
427.19125	1.0
428.20212	0.5
429.20831	2.6
430.22031	1.6
431.18106	0.5
431.22983	0.6
432.19440	0.7
433.20276	1.3
433.24600	0.8
434.20868	0.5
440.20605	0.4
442.21927	0.6
443.22296	1.1
444.23584	1.7
445.20364	0.6
446.21024	0.6
447.18289	2.1
448.18982	0.9
449.23325	1.3
456.19559	0.6
457.24207	2.7
458.25122	0.4
459.21677	2.4
460.23053	1.7
461.19040	4.9
462.20111	2.9
463.21088	1.7
465.22949	0.4
470.20969	0.6
471.17517	0.5
472.22672	1.6
473.19608	0.3
473.23642	0.4
474.20074	0.6
475.20932	6.9
476.21667	6.5
477.22250	5.0
478.23459	0.7
479.24445	0.9
485.23474	10.0
486.19766	3.2
487.24881	1.4
488.22021	0.7
489.22812	4.3
490.22693	0.4
492.21878	0.4
493.22162	0.6
493.26569	0.4
494.26868	1.0
497.23163	0.7
499.21304	2.9
500.22015	2.0
501.22842	0.5
502.23520	0.9
503.24411	6.3
504.24713	1.3
505.22122	0.4
507.23816	0.9
513.22894	1.7
515.24396	8.0
517.22412	1.2
518.23260	0.6
521.25946	3.0
522.25952	0.5
531.23792	15.2
532.24237	0.9
535.23425	1.2
541.22186	0.8
548.24481	0.8
549.24902	2.6
550.25635	4.5
551.25812	0.7
559.23309	6.9
560.23639	0.6
577.24231	1.0
591.25940	27.0
592.26227	1.5
609.26996	100.0
609.44763	6.0
610.27142	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	609.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.2
55.05497	1.3
57.03428	0.2
67.05488	2.0
69.07058	0.8
70.24281	1.1
79.05476	1.3
81.07037	1.8
83.08604	0.4
91.05429	1.3
93.07018	1.5
95.04961	0.4
95.08613	1.3
97.06509	0.5
97.10175	0.4
97.90968	0.2
105.07011	1.5
107.04918	0.2
107.08590	1.1
109.10158	0.8
117.07021	0.8
119.08578	1.0
121.10148	0.5
121.44175	0.2
124.93544	0.2
129.06982	0.7
131.08580	0.7
133.10104	0.5
135.08028	0.2
135.11716	0.3
143.08554	1.0
145.10129	0.9
147.11684	0.3
149.09576	0.3
149.13310	0.2
155.08586	0.5
157.10138	0.8
159.11722	0.7
169.10066	0.4
171.11667	0.5
173.13257	0.4
181.10106	0.3
183.11691	0.6
185.13199	0.4
195.11682	0.5
197.13332	0.5
199.14836	0.4
201.16254	0.2
207.11630	0.2
209.10640	0.4
211.14746	0.4
223.12444	0.4
225.16374	0.2
237.13887	0.4
239.15369	0.3
247.12335	0.2
251.15419	0.3
275.20090	0.9
285.00974	0.3
314.16443	0.2
375.16660	0.3
376.17004	0.3
377.17502	0.4
378.18839	0.3
388.17841	0.3
389.18536	0.5
390.18567	0.8
391.19064	1.5
392.20041	1.3
393.20947	0.4
400.17084	0.3
401.17593	0.7
403.19580	0.6
404.20541	0.8
405.20816	2.5
406.21527	1.5
407.22147	2.3
412.17624	0.3
413.17282	0.5
414.18665	0.5
415.19034	1.5
416.20340	0.4
417.21271	0.5
418.17218	0.3
418.22113	0.3
419.18390	0.8
419.23318	1.2
420.23056	0.7
421.23816	3.2
422.24615	0.9
427.19235	0.5
428.20175	0.5
429.20920	1.8
430.21851	0.7
431.18640	0.8
432.19321	0.5
433.15912	0.6
433.20026	0.9
433.24249	0.9
434.25089	0.4
435.21375	0.4
442.21716	0.4
443.22638	0.6
444.23093	0.8
445.20319	1.1
446.21155	0.4
447.18152	1.7
448.19037	0.7
449.23450	0.7
452.22015	0.6
457.24509	1.3
459.21796	1.4
460.23383	1.3
461.18912	4.0
462.20230	2.1
463.20953	1.6
464.21695	0.5
470.21158	0.6
471.17410	0.3
472.22714	0.7
473.19632	0.6
474.20319	1.5
475.21048	7.0
476.21725	5.7
477.22217	4.1
478.23367	0.6
479.24741	0.5
484.18890	0.3
485.23611	5.2
486.19928	2.2
487.20938	0.7
487.26047	0.4
488.22308	1.1
489.22775	4.1
493.22345	0.9
494.26645	0.8
497.23187	0.8
499.21249	3.7
500.22128	1.8
502.24155	0.3
503.24612	6.1
504.25027	0.8
505.22461	0.7
507.24023	0.7
511.36813	0.4
513.22705	1.2
515.24396	5.3
517.22266	1.8
517.39966	0.3
518.23120	0.9
521.26080	2.5
522.25531	0.3
531.23907	8.4
532.24377	0.7
533.26062	0.6
535.23248	0.7
541.22211	0.5
548.24133	0.4
549.24719	2.3
550.25671	4.7
559.23395	4.6
560.24097	0.3
563.26648	1.2
577.24286	1.5
578.24255	0.3
591.25952	10.0
591.44043	0.7
592.26239	0.7
609.26990	100.0
609.44757	6.7
610.27240	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	609.144
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03936	1.7
55.01846	0.4
55.05513	0.3
57.03415	0.6
61.02907	0.7
65.03908	0.4
67.05489	0.5
68.99763	0.7
69.03416	5.2
70.06565	0.7
71.04974	1.5
71.79034	0.4
72.08133	0.7
73.02908	1.4
79.05485	0.4
81.03405	7.7
81.07014	0.5
83.01331	0.2
83.04933	0.3
83.73476	0.2
84.08165	0.4
85.02892	14.3
86.09667	0.5
87.04427	0.3
91.03933	0.4
91.05455	0.5
93.03361	0.3
93.07022	0.5
94.41956	0.2
95.04954	0.7
97.02874	9.4
98.06062	0.2
99.04440	8.6
99.10551	0.3
103.03920	9.4
105.06979	0.4
107.04929	0.4
107.08572	0.3
109.02856	7.8
111.00768	0.7
111.04375	0.3
114.09154	0.8
114.10257	0.7
115.08669	0.3
119.08514	0.3
121.02823	0.9
123.04394	0.4
127.03893	21.9
128.04222	0.5
130.08615	0.3
133.06422	0.5
137.02324	3.2
137.05943	0.7
142.42227	0.3
145.02788	0.5
145.04930	8.5
147.04356	1.5
147.07903	0.3
149.02318	0.6
149.05960	0.3
151.03940	0.3
153.01811	2.8
161.05922	0.4
163.03925	1.2
163.05983	1.9
165.01811	1.5
167.06918	0.3
169.04948	0.4
173.05919	0.7
176.96776	0.3
177.05443	1.0
181.04959	0.4
181.24001	0.2
183.02863	0.7
183.04347	0.3
187.04364	0.4
187.05951	2.0
193.04875	0.2
193.12251	0.4
195.02930	0.4
201.05499	1.4
207.06512	0.5
219.06488	0.4
229.04904	4.1
239.13652	0.3
247.05956	0.7
257.04425	2.7
267.15860	0.3
271.08118	1.0
271.16675	0.3
274.04865	0.6
277.16595	0.5
285.03949	1.0
287.05527	0.4
294.73801	0.3
303.04938	100.0
304.05292	4.4
309.16812	0.4
327.04916	0.5
345.05975	2.0
345.49756	0.3
346.15094	0.2
369.06079	0.3
411.07214	0.5
419.00024	0.3
447.12534	0.3
609.28241	0.3
609.35651	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	607.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03036	1.0
53.03929	2.4
55.05503	7.2
57.03424	5.2
57.07069	2.4
57.21904	1.2
58.06564	1.6
59.04980	1.6
60.04512	2.0
61.02909	4.6
67.05495	11.1
68.05833	1.1
69.03413	6.6
69.07053	8.1
70.06592	2.8
70.60790	4.8
71.01352	2.3
71.04994	10.7
72.08162	1.5
73.02908	51.9
75.28893	1.0
79.05495	9.2
81.03407	5.0
81.07047	21.8
83.04976	5.2
83.08615	6.2
84.08138	3.3
85.02891	9.0
85.06531	2.9
86.09694	2.0
87.04430	2.0
89.05962	1.4
91.05463	10.9
92.05824	1.1
93.07024	20.1
93.17032	1.2
94.07398	1.9
95.04960	7.1
95.08591	24.0
96.08937	2.0
97.02870	4.8
97.06515	5.1
97.10148	2.9
97.73734	1.1
99.04506	1.6
99.08080	6.5
103.05448	1.5
105.07024	13.6
107.04913	2.6
107.08578	31.3
108.08922	2.5
109.02887	3.2
109.06511	5.1
109.10140	20.2
109.10862	1.5
110.09674	1.1
111.04369	1.4
111.08071	3.6
114.09190	2.5
115.03938	6.3
116.55350	1.4
117.07058	1.6
119.08562	16.6
120.08094	2.2
121.06491	3.6
121.10128	23.8
123.08068	2.3
123.11716	9.6
125.05972	2.0
125.09591	13.1
127.03849	2.1
127.07527	3.5
127.11176	3.7
129.06993	2.1
130.08699	1.8
131.04945	3.6
131.08549	6.6
133.04944	1.7
133.10101	14.8
135.08040	7.0
135.11670	16.7
135.66035	1.3
137.05942	2.6
137.09613	3.3
137.13229	2.7
138.09085	1.4
139.11154	2.8
143.08601	1.7
143.10661	15.1
145.04929	1.2
145.06441	1.3
145.10117	12.7
147.04395	2.3
147.11652	13.2
149.09607	14.6
149.13235	6.3
151.07663	1.5
151.11185	3.3
155.08522	1.6
157.10100	5.5
159.11664	11.9
161.09503	3.0
161.13246	6.2
163.07559	3.3
163.11165	2.2
163.14781	6.3
165.09039	1.4
165.12761	1.8
167.10641	1.6
169.10107	1.9
171.11676	5.6
173.13245	6.5
175.03873	2.4
175.11255	1.7
175.14824	5.4
177.05405	3.4
177.16338	2.7
179.14432	1.5
183.11687	1.5
185.13258	2.8
187.11229	1.5
187.14818	6.1
189.16391	6.4
191.14288	1.6
191.17924	33.8
193.15797	1.3
197.13344	1.4
199.14798	3.4
201.16507	5.9
203.14304	1.7
203.17932	3.8
205.15935	1.6
207.06511	4.5
211.14844	1.5
213.16374	3.0
215.17931	3.4
217.15877	5.6
217.19513	3.7
227.17929	2.2
229.19511	2.3
231.17438	4.5
233.15237	2.3
235.16995	2.1
241.19463	1.5
249.18567	3.0
257.22601	2.5
259.09680	1.5
267.21075	1.5
341.28375	1.8
351.30774	1.7
403.33804	1.6
421.34619	16.4
427.32837	1.4
439.35641	38.5
444.33139	1.5
445.33716	4.2
451.36707	1.2
457.36563	9.9
571.39758	7.4
589.40918	100.0
590.40924	3.4
607.41669	10.6
608.38306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4197
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
55.01863	1.6
55.05513	4.6
57.03441	4.9
57.07062	2.2
61.02918	7.3
62.31855	0.9
65.97816	0.8
67.05497	5.1
69.03425	4.8
69.07054	4.9
69.76081	7.1
70.06595	0.8
71.01346	1.7
71.04980	9.8
72.08126	1.3
73.02905	48.6
73.44226	0.9
79.05463	3.9
81.03418	1.5
81.07040	12.8
83.04982	1.6
83.08611	3.1
85.02889	3.1
85.06524	2.7
87.04454	1.2
91.05473	3.4
93.07024	12.7
95.04964	1.4
95.08595	19.0
96.76591	0.9
97.02877	3.4
97.06531	1.6
97.10165	3.1
99.08070	5.2
103.03918	1.2
105.07013	9.2
107.08582	27.6
107.09312	1.4
109.06492	1.4
109.10139	16.1
111.08059	1.1
115.03903	5.5
117.06979	1.1
119.08559	9.7
121.10123	23.4
123.08051	2.1
123.11687	9.2
125.09594	12.5
127.07581	2.1
127.11167	3.2
131.08543	4.5
133.04950	2.0
133.09135	1.3
133.10117	11.4
133.76617	0.9
135.08078	6.7
135.11679	15.2
137.05977	0.8
137.09587	2.6
137.13219	2.2
138.46883	0.9
139.11171	1.9
143.08542	1.5
143.10649	16.7
145.10100	9.7
147.04321	1.2
147.11656	8.6
149.09583	13.0
149.13225	5.9
151.11217	2.1
157.10130	3.6
159.11682	7.1
161.13264	5.7
163.14816	4.9
167.10674	1.1
171.11667	2.7
173.13272	3.6
175.11122	0.9
175.14789	5.3
177.12642	0.9
177.16362	2.0
182.15366	0.9
183.11693	1.2
185.13194	2.7
185.67979	0.9
187.14757	7.7
189.16405	6.4
191.17903	33.2
199.14778	2.9
201.16312	5.4
203.17924	5.6
205.15802	1.0
211.14798	1.5
213.16393	2.5
215.17949	2.6
217.15840	6.5
217.19487	3.3
219.17244	1.3
227.17859	1.2
229.15823	1.1
231.17435	6.1
233.15248	2.0
235.16959	2.0
245.19064	1.0
249.18585	2.4
255.21255	1.5
257.22672	3.0
259.20593	0.9
273.21497	0.9
299.23569	1.5
311.27496	0.9
341.28421	1.9
351.30426	2.2
353.28323	1.3
403.33469	2.2
421.34549	20.4
439.35678	41.0
440.35825	1.5
457.36682	5.7
501.35574	2.2
571.39862	7.1
589.40912	100.0
590.41614	4.2
607.40845	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	607.4192
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
53.03935	1.1
55.05497	3.8
57.03425	3.3
57.07074	1.5
59.04987	1.0
61.02916	5.4
67.05487	5.8
69.03423	3.9
69.07061	6.1
70.41650	3.0
71.01340	1.9
71.04985	9.9
73.02908	50.3
79.05464	4.5
81.07045	11.2
83.04974	1.1
83.08605	3.0
85.02900	3.0
85.06548	2.2
91.05452	4.2
93.07030	10.8
95.04940	1.3
95.08601	20.7
97.02872	2.6
97.06561	1.2
97.10157	2.6
99.08064	6.5
105.07012	9.0
107.08574	26.0
109.06438	1.2
109.10144	13.5
111.08052	1.1
115.03908	5.4
116.06230	0.8
117.61783	0.9
119.08562	10.5
121.06577	0.9
121.10123	18.0
123.08085	1.2
123.11681	5.8
125.09626	10.8
127.07540	2.1
127.11190	1.8
131.08574	3.5
133.10106	11.4
135.08043	4.8
135.10741	1.3
135.11678	14.5
137.09592	3.5
137.13231	2.0
139.11189	1.6
143.08452	1.2
143.10649	16.6
145.10123	8.9
147.11659	9.4
149.09612	10.4
149.13245	5.4
151.11171	2.6
157.10143	2.0
159.11687	9.0
161.09581	1.4
161.13222	6.0
163.14822	2.9
171.11707	2.5
172.28253	0.9
173.13298	4.3
175.14827	3.1
177.12822	1.2
177.16321	1.4
183.11766	1.0
185.13382	1.9
187.14790	8.4
189.16371	7.5
191.17920	34.9
199.14737	2.6
201.16338	5.3
203.17845	4.3
213.16333	1.9
215.14351	1.3
215.17902	2.1
217.15872	6.0
217.19440	3.0
219.17484	1.6
227.17982	1.5
229.15880	1.3
231.17444	5.9
233.15425	2.1
234.57228	1.1
235.16821	1.4
239.17784	1.0
243.21112	1.7
245.18939	1.1
249.18468	2.1
255.21063	1.2
257.22678	1.7
287.23611	1.0
315.26938	1.2
335.27435	1.4
341.28369	2.1
351.30472	1.2
421.34576	22.2
439.35715	37.4
440.36032	2.4
457.36813	6.2
501.35379	1.3
519.68097	1.1
520.29138	0.9
561.57477	1.1
571.39709	8.2
589.40930	100.0
590.41510	6.5
607.34607	2.2
629.70624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4196
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
53.03917	2.3
55.01871	4.3
55.05505	10.2
57.03430	7.1
57.07063	2.0
57.53144	0.9
59.04973	1.6
61.02916	6.7
65.03915	2.4
67.05497	27.7
69.03419	10.5
69.07059	12.3
69.47617	2.0
69.48019	8.5
71.01360	1.7
71.04980	13.2
71.36546	0.8
73.02905	50.0
73.06546	1.2
77.03871	1.5
79.05478	20.4
81.03403	22.2
81.07042	41.6
83.04961	6.3
83.08595	10.0
85.02895	7.3
85.06519	4.0
87.04428	2.2
91.04910	1.3
91.05464	20.8
93.07030	32.3
95.04935	6.5
95.07992	1.9
95.08593	32.3
96.08930	1.4
97.02887	6.6
97.06522	5.6
97.10133	3.6
99.04430	1.5
99.08082	6.3
105.07022	18.0
107.04959	2.6
107.08574	47.4
109.02845	3.3
109.06487	5.2
109.10143	25.0
110.10469	1.2
111.04420	2.4
111.08059	3.6
115.03927	6.1
117.06991	5.2
119.08559	19.9
121.06480	3.0
121.10128	32.9
123.08057	2.3
123.11690	12.1
125.09619	12.1
126.09858	1.1
127.03923	2.1
127.07551	1.7
127.11160	2.6
129.06937	2.2
131.08546	8.8
133.04947	1.7
133.06433	1.7
133.10109	19.9
134.10393	1.3
135.08055	7.9
135.11662	19.7
137.09586	4.7
137.13223	2.3
139.11130	1.9
143.08540	2.5
143.10649	16.6
145.10101	13.5
147.07990	1.2
147.11658	14.4
149.05884	1.2
149.08467	1.7
149.09595	24.3
149.13216	13.9
151.11116	2.4
155.08479	1.1
157.10129	6.0
157.54785	0.9
159.08011	1.7
159.11674	13.8
161.09586	1.2
161.13257	9.6
163.11142	1.6
163.14821	6.1
165.09064	2.0
165.12628	1.4
167.10651	1.4
167.14275	1.8
169.10117	1.7
171.11632	3.7
173.04402	1.0
173.09566	1.3
173.13214	6.7
175.11105	2.4
175.14816	6.2
177.12706	3.6
177.16350	2.6
179.14250	1.1
183.11661	1.0
185.13206	3.1
187.14789	7.9
189.12697	1.3
189.16327	7.3
191.14325	1.9
191.17918	39.4
193.10011	0.9
193.12305	1.1
195.13753	8.4
197.13232	1.5
199.14792	4.1
201.12703	1.2
201.16371	6.2
203.17932	5.8
205.15704	1.5
207.17424	1.8
209.13345	1.1
211.14943	1.3
213.16321	4.8
215.14496	1.0
215.17891	3.0
217.15889	6.7
217.19447	2.0
219.17447	2.3
227.17790	2.2
229.19508	1.4
231.17458	7.6
233.15308	3.1
233.18912	1.8
235.16931	3.9
241.19409	1.5
249.14810	1.0
249.18427	2.4
255.20984	1.3
257.22665	2.2
267.15854	2.6
269.17447	3.5
273.18326	1.1
285.22141	1.0
290.18408	1.0
299.23611	2.0
303.15768	1.1
315.26727	2.5
321.16946	2.2
334.96881	1.0
335.27209	1.3
339.17947	4.3
341.28482	1.5
349.19666	1.2
351.30429	2.2
353.24713	1.1
377.19302	1.8
395.20657	5.0
403.33490	2.6
409.33908	1.0
421.34659	23.6
439.35672	50.5
440.36035	2.3
445.29428	1.7
457.36746	36.2
458.36972	2.4
463.30563	5.7
475.37881	1.6
571.31537	1.2
571.39893	11.8
589.40942	100.0
590.41388	8.2
607.34412	31.5
608.35046	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2901
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
53.11250	0.3
159.51700	0.2
194.09773	0.3
212.34721	0.3
221.10562	0.3
389.17477	0.6
402.18622	0.5
403.19250	1.6
404.19748	0.7
405.20950	0.6
416.20505	0.4
417.16144	0.4
417.21204	1.9
418.21661	0.8
419.22385	2.1
430.17365	0.4
431.18140	4.0
432.19382	0.9
433.23999	4.6
434.24722	0.3
444.19305	0.4
445.19818	5.5
446.20746	2.2
447.21695	2.9
459.21640	3.0
460.22501	6.9
461.23306	7.1
462.24478	0.3
473.23477	1.7
474.24316	0.7
477.22919	0.4
487.24976	1.1
492.25143	0.6
505.21616	1.4
506.26587	0.5
519.24646	1.3
532.24695	0.5
547.27002	18.5
548.27368	0.4
575.26520	0.6
578.25476	0.3
579.29456	0.6
607.29077	100.0
608.29346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2902
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
71.05548	0.5
105.69078	0.3
131.24107	0.4
159.24603	0.3
388.16879	0.6
389.17355	1.5
401.17902	0.4
402.18192	0.9
403.19077	3.1
404.19821	1.0
405.20590	1.4
415.19763	0.5
416.20663	0.7
417.21069	4.3
418.21780	2.0
419.22342	3.4
429.20862	0.6
430.17160	0.7
430.22052	0.7
431.17975	7.1
431.23407	0.8
432.18445	2.0
433.18875	0.6
433.23993	9.1
434.24466	1.3
443.18561	0.5
444.18869	0.4
445.19751	11.4
446.03659	0.4
446.20709	4.9
447.21558	3.3
448.60181	0.4
458.21060	0.4
459.21307	4.9
460.22430	12.4
461.23282	14.3
462.23874	0.9
472.22263	0.4
473.23447	3.5
474.24170	1.2
477.22440	0.8
487.25275	1.6
488.25500	0.6
491.24121	0.9
492.25128	0.8
505.21481	2.3
506.26889	0.6
515.24292	1.0
519.27136	2.0
531.22797	0.4
532.24646	0.6
547.26953	48.4
548.27307	2.0
575.26453	1.4
578.24554	0.4
579.29364	1.0
607.29041	100.0
608.29889	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	607.2544
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.03933	0.6
54.46147	0.3
55.01869	0.6
55.05268	0.3
55.05503	1.6
57.03429	0.5
67.05495	5.4
69.03416	1.2
69.07059	1.7
70.03432	1.0
70.03843	0.8
71.04995	0.4
79.05486	3.0
81.03397	3.4
81.07043	6.2
83.04956	1.0
83.08604	1.3
85.02885	0.3
85.06561	0.5
91.05465	2.9
93.07028	4.7
95.04970	1.1
95.08586	1.6
97.02879	0.6
97.06525	1.0
98.20666	0.4
99.04451	0.3
105.06998	1.8
107.04976	0.3
107.08569	2.8
109.02886	0.9
109.06520	0.6
109.10152	0.7
111.04433	0.5
111.08089	0.4
115.05395	0.3
117.07015	1.1
119.08574	1.3
121.10149	1.6
123.08099	0.4
123.11699	0.6
127.03935	0.7
129.06960	0.3
131.08586	1.2
133.10100	1.1
135.08015	0.3
135.11699	1.0
141.06952	0.3
143.08528	0.6
145.10106	0.5
147.04404	0.7
147.11676	0.6
149.13248	1.1
151.59074	0.3
155.08604	0.5
157.10146	0.3
159.11713	0.9
165.12781	0.5
171.11653	0.3
172.19725	0.3
177.12755	0.5
195.13832	1.0
213.14908	0.5
251.11777	0.4
267.15860	0.4
269.17493	1.1
321.16818	0.4
339.18030	1.0
340.14804	0.4
375.16089	1.0
388.16800	0.9
389.17484	2.5
390.18356	0.8
391.19202	0.9
395.20691	0.7
401.17972	0.5
402.14200	0.6
402.18719	0.7
403.19379	3.7
404.20126	1.5
405.20602	3.0
413.17508	0.3
416.16074	0.8
417.16083	3.4
417.21078	2.0
418.17682	1.2
418.22177	0.9
419.22397	6.6
420.23193	0.5
430.17975	1.0
431.18243	7.8
431.23911	0.5
432.19144	4.0
433.20038	3.3
435.21753	0.4
443.18765	0.3
445.19980	5.6
446.20990	7.7
447.21695	7.7
448.23483	0.4
455.19162	0.3
459.22940	2.0
461.19470	1.9
462.24670	0.4
463.25360	0.7
463.30725	1.0
473.18939	0.7
473.24106	0.4
474.20264	4.6
475.21127	5.4
476.21893	0.3
477.23380	0.6
478.23340	0.7
487.21213	1.7
490.24289	0.6
491.19815	3.1
501.22714	1.2
504.21536	0.5
505.22498	0.6
506.22961	0.7
519.23987	17.3
547.23340	12.6
548.23511	0.4
579.25824	6.3
580.26105	0.4
589.24762	0.6
589.33234	0.5
607.25464	100.0
607.34357	7.1
608.25830	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2543
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05518	0.2
67.05502	0.5
71.18919	0.2
71.19277	0.3
79.05501	0.3
80.96416	0.1
81.07050	0.3
82.00894	0.2
90.41447	0.1
91.05448	0.2
93.07061	0.2
95.04982	0.3
97.73629	0.2
105.84045	0.2
152.69788	0.2
158.75717	0.2
172.03877	0.2
183.09123	0.2
194.75394	0.1
209.10765	0.3
221.10835	0.2
223.12273	0.3
233.10638	0.2
235.12447	0.2
249.10368	0.2
251.12000	0.2
260.11816	0.2
298.13571	0.2
300.14883	0.2
311.14624	0.2
326.16675	0.2
338.12778	0.2
354.16406	0.2
373.14697	0.2
374.15460	0.5
375.16034	1.0
386.16336	0.3
387.16089	0.4
388.16885	0.8
389.17618	2.7
389.22272	0.1
390.18423	1.0
391.19211	1.2
399.15903	0.2
401.17816	0.6
402.14261	0.3
402.18533	0.6
403.15268	0.5
403.19412	3.9
404.20071	1.7
405.20667	2.7
413.17111	0.2
414.18103	0.2
415.19693	0.5
416.15717	1.2
416.20905	0.4
417.16147	4.4
417.21146	2.0
418.17740	1.0
418.21802	0.8
419.22479	5.9
420.23315	0.9
429.21704	0.2
429.58881	0.2
430.17764	0.7
430.22543	0.3
431.18167	7.1
432.19116	3.3
433.20044	4.0
434.20871	0.3
435.21817	0.4
443.18561	0.4
444.19666	0.4
445.20078	5.0
446.20966	7.6
447.21680	8.7
448.22461	0.6
449.19601	0.3
455.19296	0.2
457.20395	0.3
458.21133	0.2
459.17764	1.0
459.22275	1.2
460.19012	0.8
461.19321	1.8
462.24445	0.4
463.20093	0.3
463.25189	0.6
473.19678	0.9
473.24066	0.6
474.20306	5.1
475.21024	5.1
476.21991	0.5
477.23685	0.8
478.23456	0.8
487.21204	1.8
488.22250	0.3
490.23734	0.7
491.19968	2.9
501.22949	1.5
502.23795	0.2
503.24649	0.3
504.21451	0.3
505.22229	0.8
506.23270	0.5
518.22961	0.3
519.24011	17.2
520.24915	0.8
529.22302	0.4
532.20746	0.4
547.23346	14.0
548.23846	0.6
550.21259	0.2
551.26611	0.4
561.24841	0.5
575.23163	0.4
579.25964	6.1
589.24432	0.3
607.25427	100.0
608.25818	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	607.2543
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
53.03905	0.3
54.58268	0.2
55.05482	0.5
57.07045	0.4
59.89893	0.2
67.05494	1.4
69.07013	0.7
69.58063	0.6
69.58468	1.7
70.63358	0.3
71.08585	0.3
74.84715	0.2
79.05496	1.2
81.07049	1.7
83.04903	0.2
83.08582	0.6
88.06157	0.2
91.05411	0.8
93.06976	0.6
93.08023	0.2
95.04914	0.4
95.08527	0.9
105.07034	1.2
107.08537	0.7
109.10098	0.4
117.06929	0.4
119.08540	0.5
121.10053	0.3
123.11637	0.3
129.06958	0.3
130.41310	0.2
131.08534	0.3
133.10083	0.7
135.11627	0.3
143.08458	0.3
145.10011	0.5
146.10486	0.3
147.11606	0.7
149.09526	0.3
159.11604	0.4
163.11156	0.3
182.27490	0.2
209.10681	0.6
221.10648	0.5
223.12233	0.2
251.11748	0.3
275.19925	0.5
276.20288	0.4
291.60135	0.2
313.27362	0.4
314.27676	0.6
324.14975	0.2
326.13013	0.3
336.15118	0.3
338.12985	0.3
349.23743	0.3
350.13138	0.3
373.14395	0.3
374.15857	0.5
375.15747	1.1
376.17606	0.3
387.16037	0.8
388.16913	1.2
389.17596	3.1
390.18393	1.4
391.19092	1.0
400.17029	0.3
401.13177	0.3
401.17697	0.8
402.14084	0.5
402.19070	1.2
403.15424	0.8
403.19482	5.1
404.19907	2.4
405.20901	2.2
413.17957	0.5
414.18362	0.4
415.19348	0.8
416.15594	1.4
416.20798	0.5
417.16116	4.6
417.20990	2.5
418.17459	1.0
418.21454	1.4
419.22372	7.9
420.22903	0.4
429.21350	0.4
430.17142	1.5
431.18176	8.9
432.19028	2.7
433.19934	2.9
434.21057	0.4
435.21619	0.4
441.17032	0.4
443.18652	0.7
444.19443	0.4
445.20102	7.2
445.25323	0.5
446.20950	6.7
446.81891	0.2
447.21646	10.1
448.22388	0.6
458.21384	0.5
459.17743	1.4
459.22180	1.3
460.17657	1.2
461.19165	1.4
462.24243	0.4
463.24765	1.0
473.19403	1.1
473.24472	0.5
474.20407	11.0
475.21176	12.1
476.21603	0.5
477.22556	0.7
478.23566	0.6
487.21219	2.0
488.21823	0.9
490.23734	1.5
491.20673	1.3
491.25107	0.8
492.23114	0.3
501.23102	1.5
503.24411	0.5
504.21262	0.4
505.22037	0.9
506.23050	0.6
518.23151	0.6
519.23999	12.0
520.24304	0.4
529.22357	0.4
532.20972	0.7
547.23340	61.9
548.23749	2.3
551.26477	0.3
561.24896	1.7
575.23004	0.3
579.25995	3.8
589.24603	1.3
589.47321	0.3
607.25421	100.0
608.25787	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	606.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05013	0.8
56.85784	0.2
58.06311	0.3
58.06590	6.3
61.02917	0.3
67.05479	0.4
69.03408	0.8
69.05801	0.2
69.07040	0.7
69.62953	1.9
70.06585	2.6
72.08134	0.5
73.02905	1.3
74.58015	0.2
79.05464	0.8
80.05009	0.3
81.03399	0.8
81.07028	1.0
83.04932	0.2
83.08591	0.2
84.04486	1.9
84.08137	0.5
85.02879	0.8
86.09694	2.4
91.03930	0.3
91.04962	0.2
91.05467	1.0
92.05800	0.2
93.07013	0.7
94.06549	0.5
94.07359	0.3
95.04955	0.5
95.06045	0.2
95.08605	1.1
95.45709	0.2
96.08101	0.6
97.02888	0.4
97.06516	0.6
98.20634	0.4
103.05392	0.2
105.06998	0.8
106.06530	0.7
107.04932	0.4
107.08575	0.5
108.08088	0.3
109.02857	0.6
109.10136	0.8
114.09161	1.5
115.05428	1.4
117.06986	0.8
119.04914	0.5
119.08549	0.7
121.06479	0.4
121.10136	0.5
127.03891	0.6
129.07002	0.5
130.05524	0.3
130.06506	7.0
131.04945	0.2
131.08519	0.3
133.10103	0.5
135.11662	0.4
137.05910	0.7
137.06993	0.2
140.07094	0.2
141.10172	0.4
142.06512	1.5
143.07274	0.6
144.08069	27.7
145.02837	0.4
145.06445	0.5
145.08351	0.4
145.10117	0.4
146.05983	0.5
146.09555	0.3
147.04396	2.4
147.11664	0.3
149.05995	0.5
149.13284	0.2
151.03932	0.3
151.05022	0.3
154.06458	0.4
156.08041	0.9
157.07558	0.6
160.07559	1.1
160.09673	1.1
160.11037	0.4
161.13313	0.3
163.03911	0.8
165.05380	0.3
167.07082	0.3
169.07530	1.1
170.05995	18.4
171.09140	0.6
172.07591	0.3
172.09943	6.3
173.05939	0.5
175.07455	0.4
177.05434	0.7
182.10509	0.3
183.10400	0.5
187.12283	100.0
188.07051	0.6
188.12654	1.5
189.09129	0.3
196.11327	0.2
198.12793	4.0
204.10216	0.5
205.08597	1.2
207.06500	0.4
216.10130	0.4
217.08611	0.6
219.11322	0.5
232.09811	0.3
234.11331	0.4
253.09801	0.4
259.09677	0.5
265.09598	0.3
265.13101	0.2
289.11667	0.5
317.16415	0.2
347.19608	0.6
350.18445	0.3
354.60950	0.3
357.18027	0.3
373.77942	0.2
378.17996	0.7
392.21805	0.7
395.20581	0.8
430.19647	0.3
430.93646	0.2
431.15842	1.0
444.29306	0.6
445.71072	0.2
456.35590	0.5
457.24374	0.7
458.23029	0.3
465.16217	0.6
475.25470	4.3
481.15918	0.3
490.20847	0.3
515.26721	1.7
516.24823	0.9
543.25983	3.6
544.24756	0.3
552.31989	0.2
560.31781	0.6
561.26984	10.8
562.27118	0.5
588.31757	5.0
588.40771	0.4
589.31494	0.4
606.24170	0.8
606.32605	9.6
606.40942	1.9
607.32709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33776	1.7
53.03930	4.1
55.01859	17.1
55.05261	2.5
55.05500	30.6
56.87073	1.8
57.03424	10.0
57.06793	3.6
57.07066	54.6
60.35078	1.6
62.96634	1.9
65.03924	3.0
67.05493	67.0
69.03409	3.2
69.07056	26.0
71.04967	5.7
71.08615	37.0
71.80015	2.6
79.05482	48.0
81.01318	1.8
81.03411	3.7
81.07041	94.3
83.04973	6.2
83.08601	29.1
85.06534	4.0
85.10165	17.1
91.05462	39.9
93.07028	38.2
95.04970	9.8
95.08595	60.5
97.06526	19.1
97.10148	18.1
105.07014	42.3
107.04935	20.7
107.08575	40.5
109.06496	16.3
109.10144	30.5
111.08069	3.9
117.06989	12.6
117.19843	1.8
119.08568	33.3
121.06497	4.7
121.10139	15.2
123.08016	5.3
123.11687	12.1
125.09618	10.5
129.06967	5.0
130.07742	2.3
131.08549	17.3
131.53127	1.8
133.06464	2.3
133.10118	25.0
135.08029	7.9
135.11682	7.5
137.09564	3.9
139.11209	1.9
141.36406	1.6
143.08609	2.4
145.10114	25.6
147.11656	24.8
149.09596	27.0
149.13234	4.8
151.11183	2.2
151.14862	2.2
155.08629	2.5
157.10088	3.8
159.11676	14.2
161.09531	2.2
161.13206	7.7
163.11153	10.0
165.12715	5.3
165.19072	1.8
169.10109	3.3
171.11624	5.1
173.13234	7.6
175.11125	2.7
177.12634	2.9
183.11641	4.5
187.11101	2.8
189.11163	6.6
227.12727	20.1
229.19489	5.6
239.17850	5.8
239.23625	6.3
241.14326	3.3
247.20599	4.8
257.18973	15.2
275.20026	100.0
280.85190	2.0
293.21182	12.3
303.93515	1.7
313.27304	75.9
331.22635	5.2
349.23648	50.1
388.52036	2.0
409.33139	2.2
483.36633	2.3
587.37634	3.9
587.46588	65.8
605.24493	3.0
605.48059	61.6
606.48834	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	605.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01856	2.8
55.05256	0.8
55.05503	6.2
57.03420	8.3
57.07052	2.9
58.33490	0.6
59.04990	0.9
61.02923	8.1
65.03920	0.8
67.05171	1.0
67.05496	11.4
69.03410	7.1
69.06680	0.7
69.07054	12.3
71.01334	2.3
71.04987	5.6
73.02905	60.0
79.05485	10.7
81.03403	4.4
81.07040	25.5
83.04963	1.8
83.08600	5.6
85.02891	7.8
85.06529	1.8
87.04448	1.8
91.05463	9.9
93.07029	23.4
95.04959	4.6
95.08590	30.9
97.02885	6.6
97.06516	2.7
97.10150	2.4
99.08076	2.7
102.21086	0.6
105.07011	24.0
107.04944	1.3
107.08572	29.8
109.02793	0.8
109.06478	4.1
109.10136	28.6
111.04360	0.7
111.08047	2.1
111.11703	1.4
114.09094	0.7
115.03909	9.9
115.05429	1.1
117.07002	4.8
119.08564	27.8
121.06507	4.1
121.10123	27.0
122.10513	0.7
123.04433	1.0
123.08057	2.8
123.11690	14.7
125.05959	0.8
125.09636	4.1
125.13193	1.0
127.07572	0.9
127.11174	5.6
128.06218	0.9
129.06992	2.2
130.07686	0.9
131.08540	11.3
133.04958	1.7
133.06465	1.2
133.10110	24.3
133.98251	0.7
135.08035	4.2
135.10620	1.1
135.11670	21.0
137.09601	2.1
137.13213	5.4
139.07515	1.6
139.11200	1.6
141.12741	1.1
142.07780	0.9
143.08539	5.3
145.06396	0.7
145.10101	15.9
147.08052	4.0
147.11656	17.2
149.09579	3.2
149.13229	10.5
151.11153	1.9
151.14851	0.8
153.09076	1.0
153.12689	1.5
155.08586	1.7
156.09245	1.0
157.10095	7.7
159.08043	1.3
159.11678	14.3
161.09607	2.2
161.13232	15.1
162.97083	0.7
163.07521	1.1
163.11186	2.9
163.14784	5.5
165.09079	1.0
165.12671	1.5
167.10718	0.7
169.10107	3.6
170.06039	4.0
171.06390	1.3
171.08115	0.7
171.11655	6.8
173.04439	2.0
173.09624	1.8
173.13240	12.6
175.11163	1.8
175.14790	7.6
177.09132	1.3
177.12770	2.2
177.16368	4.7
179.10645	1.5
179.14348	1.0
181.10100	0.9
181.12241	0.6
182.10858	1.0
183.11673	3.6
185.13223	6.1
187.11163	1.4
187.14777	9.1
189.12753	1.7
189.16357	8.6
190.77112	0.7
191.10658	1.5
191.14340	1.3
191.17911	7.9
193.12161	1.0
193.15965	0.9
195.11699	1.4
195.13763	0.8
197.13246	5.0
199.14781	5.8
201.12743	0.9
201.16348	6.8
203.14301	1.2
203.17960	5.9
205.12294	0.8
205.15878	2.8
207.11661	0.9
207.13733	1.2
207.17509	1.3
209.13260	2.0
211.14822	3.9
213.12836	0.9
213.16246	4.7
215.14349	1.5
215.17940	2.2
217.12308	0.7
217.15858	1.1
217.19542	2.5
219.13791	1.1
219.17386	1.5
221.15388	1.3
223.14854	1.1
225.16455	1.8
227.17955	2.6
229.15886	1.9
229.19490	0.8
230.15872	0.7
230.18097	0.8
231.13698	1.0
231.17397	1.8
233.15369	1.5
233.19098	0.7
235.16899	1.2
237.16415	0.9
239.17999	1.6
241.19537	2.4
243.21019	3.9
245.15405	1.8
247.16994	3.2
249.18481	0.9
251.17694	0.9
253.19601	1.0
255.17340	0.9
255.21107	1.9
257.15469	0.9
257.18784	0.8
259.17041	0.9
259.20520	0.7
261.22177	3.3
265.19492	0.8
267.21072	1.9
271.20596	1.2
273.18433	1.7
273.22156	1.2
275.19888	1.1
279.21014	0.9
281.22632	1.2
283.20370	0.8
285.22079	4.6
287.19998	1.7
287.23416	0.7
289.21744	0.7
297.22015	1.6
301.21625	1.8
303.23123	1.3
313.21606	1.9
315.23221	4.2
325.25104	0.8
327.23126	1.2
329.24811	2.6
341.24796	1.6
351.26685	1.2
353.24161	0.9
355.26584	1.2
357.28061	1.3
369.27826	2.1
373.77780	0.7
377.32043	1.0
379.30176	0.7
381.27875	1.1
385.27087	0.9
387.29022	1.8
395.33249	3.2
397.30887	7.2
399.28836	1.1
407.33319	2.1
409.34616	3.4
419.32965	6.1
425.34140	5.9
435.27448	4.8
437.34097	24.3
439.69464	0.7
455.35126	29.4
473.36215	8.6
497.36227	3.3
509.36255	1.9
515.37000	1.3
519.33075	1.6
527.37219	1.3
533.36249	1.5
539.37262	0.9
544.26172	2.2
551.37354	6.0
569.30353	1.5
569.38397	1.9
575.39850	1.0
587.32111	1.0
587.39423	16.4
605.40417	100.0
606.41107	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	605.4037
Annotation	Cauloside A
Peak:m/z	Relative Intensity
50.88043	1.1
53.03934	2.0
55.01860	3.0
55.05502	9.2
57.03423	11.4
57.07056	3.0
61.02920	12.6
62.35366	1.0
67.05495	18.9
69.03421	9.7
69.07054	20.8
71.01345	2.5
73.02907	100.0
79.05469	9.7
81.03400	2.1
81.07042	30.5
83.04977	2.1
83.08611	7.0
85.02886	8.7
87.04480	1.6
91.05457	11.8
93.07030	24.1
95.04960	3.8
95.08591	38.4
97.02879	9.2
97.06514	3.3
97.10159	5.7
99.08047	1.3
105.07017	19.9
107.04985	1.5
107.08581	34.5
109.06506	1.7
109.10139	54.4
111.08064	1.8
111.11725	1.9
115.03925	14.1
117.07006	3.0
119.08556	26.6
121.06509	2.8
121.10129	32.6
123.08058	3.6
123.11681	23.5
125.09608	7.9
127.11198	2.6
128.06093	1.1
131.07684	1.9
131.08534	9.1
133.04996	3.6
133.10106	24.6
135.08034	4.7
135.11671	27.2
137.09564	1.4
137.13226	9.0
139.11156	1.5
143.08548	5.1
143.10768	1.3
145.10123	14.2
147.08054	1.5
147.11662	14.3
149.09641	2.2
149.13228	14.2
151.07582	1.3
151.14796	2.0
153.12717	1.6
155.08614	1.8
157.10103	9.8
159.08012	1.7
159.11665	15.1
161.09625	3.7
161.13251	11.1
163.07550	3.3
163.11215	2.1
163.14807	9.9
165.12721	2.1
166.23906	1.1
168.43675	1.3
169.10135	2.5
171.11697	6.8
173.09669	2.1
173.13217	11.2
175.11139	2.4
175.14801	8.8
177.09113	3.0
177.12650	1.4
177.16409	4.4
179.10660	1.4
183.11705	3.4
185.13248	7.2
187.14787	11.8
189.09105	2.7
189.12779	1.9
189.16360	10.1
191.10678	2.7
191.17918	13.1
193.15865	1.2
193.19601	1.3
197.13258	2.0
199.14784	6.1
201.12755	1.9
201.16373	8.3
203.10648	1.5
203.17950	6.7
205.12343	1.6
205.19560	1.6
207.13885	1.4
211.14861	2.1
213.16411	4.2
215.17978	2.5
217.12299	2.2
217.19516	3.3
219.13728	2.9
223.14784	1.8
225.16364	1.7
227.14288	2.3
227.18015	3.7
229.15965	2.9
229.19643	1.7
231.13884	2.3
233.15402	3.8
239.17981	2.2
241.19574	3.3
243.21101	1.6
245.15466	4.8
247.17044	5.3
249.18599	1.7
251.18115	1.4
253.19576	2.2
255.17354	1.3
255.21109	3.0
259.17023	1.7
267.21255	1.5
269.22650	1.6
273.15073	1.2
273.18372	1.5
279.21103	2.5
285.18661	1.7
285.22043	1.8
293.22864	1.6
295.20407	1.4
297.22058	1.5
301.21625	2.7
309.25964	3.0
313.25391	2.2
315.23166	5.5
351.27017	1.5
355.26450	1.9
357.24268	4.3
369.27872	22.1
373.27594	2.6
377.32037	3.2
381.27942	2.1
387.28812	2.2
401.32104	2.4
407.33255	2.4
409.34525	1.5
419.33105	8.2
425.34140	1.6
437.34082	25.6
455.35049	10.6
473.36288	4.1
519.32635	1.9
523.32629	2.9
549.34094	2.1
587.30817	2.1
587.39410	20.5
605.40454	46.1
606.41119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4037
Annotation	Cauloside A
Peak:m/z	Relative Intensity
53.03913	1.2
55.01847	3.7
55.05500	9.5
57.03419	9.2
57.07061	3.4
59.05009	1.1
61.02916	13.6
65.03942	1.6
67.05489	20.3
69.03417	11.1
69.07053	24.2
69.44429	8.7
69.44852	5.4
71.01330	3.3
71.04976	3.9
73.02901	100.0
79.05483	11.4
81.07040	32.8
83.08590	7.5
85.02892	9.0
91.05466	12.5
93.07027	26.1
95.04977	3.1
95.08588	37.5
97.02868	8.8
97.06525	2.9
97.10140	8.0
98.20739	2.9
99.08066	2.8
105.07009	22.3
107.08571	42.2
109.06513	2.4
109.09387	2.9
109.10135	59.8
111.08089	2.2
111.11696	2.1
115.03910	17.4
117.06968	2.8
119.08548	26.9
121.06508	2.9
121.10121	37.8
123.08069	2.5
123.11679	28.8
123.12497	2.3
125.09590	8.4
127.11211	1.6
129.06967	2.0
131.08540	9.7
133.04955	4.0
133.10095	25.7
135.08043	4.0
135.11664	33.7
137.09587	1.6
137.13225	11.3
139.11102	1.8
143.08487	6.2
144.09409	2.0
145.10104	15.4
147.08084	1.7
147.11682	15.2
149.09651	3.1
149.13242	15.6
151.07520	2.9
151.11192	1.9
151.14703	1.6
153.09084	1.6
153.12692	1.5
155.08612	2.1
157.10112	8.3
159.08060	2.0
159.11641	17.1
159.12764	1.6
161.09634	2.8
161.13222	13.9
163.07565	5.0
163.11212	1.8
163.14793	11.1
165.09030	1.5
165.12708	1.4
169.10139	2.6
171.11670	7.7
173.13245	12.1
175.11140	2.5
175.14784	9.5
177.09088	2.3
177.12732	2.5
177.16370	4.5
179.10664	2.3
179.14253	1.8
181.10214	1.7
183.11690	4.0
185.13232	7.9
187.11143	1.7
187.14757	13.8
189.09088	2.8
189.12686	2.0
189.16342	10.7
191.10669	2.3
191.17911	13.5
193.12300	1.4
193.15854	1.6
193.19539	2.2
195.11726	1.4
197.13304	2.6
199.14790	5.9
201.12691	1.5
201.16377	10.8
203.14258	1.8
203.17897	8.4
205.12303	1.8
207.13771	1.4
207.17467	2.2
209.13286	1.7
211.14775	2.6
213.12700	1.7
213.16408	5.2
215.14369	2.3
215.17989	4.4
217.15912	1.7
217.19380	3.2
219.13815	2.7
221.15302	1.4
223.14799	1.8
225.16429	2.3
227.17952	4.2
229.15916	2.1
229.19519	2.3
231.13832	4.1
231.17439	2.0
233.15349	2.7
235.16837	1.5
237.16385	2.0
239.18036	2.6
241.19373	3.3
243.21059	2.2
245.15311	6.0
247.16904	4.3
249.18575	1.3
253.19350	1.5
255.17421	1.6
255.21124	4.1
257.18982	1.3
259.17004	2.1
261.18451	1.5
267.21155	1.6
269.22577	1.5
271.16949	1.6
281.22855	1.2
283.20828	1.9
287.20273	1.3
293.22772	1.3
295.24109	1.9
299.20108	3.0
309.25729	2.2
313.21725	2.8
313.25198	3.2
315.23239	5.6
351.26920	2.4
355.26440	2.6
357.24359	5.6
369.27832	19.2
377.32065	3.7
387.29117	1.3
395.33197	1.8
397.31049	2.5
399.28870	1.5
401.32150	2.8
407.33072	2.4
409.34366	1.6
419.32977	8.3
425.34152	2.0
437.34079	26.6
455.35135	12.3
473.36520	6.2
482.30768	1.4
523.32623	2.5
527.37488	1.3
531.33081	2.0
587.39276	21.9
587.47888	2.0
594.14996	1.5
605.40405	45.5
605.50159	2.4
606.41107	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01863	3.1
55.05487	6.2
57.03422	6.9
57.07067	1.8
59.04984	1.4
61.02918	7.6
61.96831	0.8
65.03919	1.9
67.05492	14.5
68.68353	0.8
69.03413	6.9
69.07060	9.0
71.01348	1.9
71.04979	13.4
73.02902	65.5
77.03928	0.9
79.05482	10.0
79.71370	0.9
80.43122	0.8
81.07041	27.1
83.04977	2.9
83.08587	5.3
85.02898	7.4
85.06535	2.3
91.05457	14.5
93.07028	23.5
95.04964	4.3
95.08593	33.8
95.35361	0.8
97.02898	3.8
97.06537	2.5
97.10170	3.3
99.08077	9.1
105.07014	29.6
107.04955	1.0
107.08575	52.5
109.06504	6.7
109.10139	30.7
111.08073	3.2
111.11720	0.9
115.03897	9.0
115.05474	0.9
117.07016	3.4
119.08560	31.0
121.06528	3.2
121.10126	32.2
123.08066	4.1
123.11681	12.3
125.05956	1.6
125.09600	16.4
127.07547	2.3
127.11168	7.4
129.07022	3.0
131.08548	14.0
133.04976	3.2
133.10104	27.7
135.08047	11.7
135.11656	12.4
135.12610	1.0
137.09586	6.1
137.13242	2.8
139.11148	1.6
141.60217	0.9
142.07729	1.2
143.08557	6.1
143.10641	9.6
145.10097	26.9
145.11182	1.6
147.08086	1.9
147.11661	21.9
149.09589	34.0
149.13223	24.7
151.11154	5.3
153.12772	0.9
155.08626	1.3
156.09221	1.3
157.10086	9.7
158.10941	1.4
159.11656	21.3
159.12941	1.3
161.09604	2.7
161.13226	28.3
163.11165	4.1
163.14798	5.7
165.12756	2.4
167.10701	1.5
167.14305	1.2
169.10150	2.9
171.11646	6.6
172.12596	1.4
173.13231	19.2
175.11162	1.2
175.14812	11.5
175.24333	0.9
177.12727	2.1
177.16365	8.5
179.14267	1.5
183.11676	2.7
185.08054	0.9
185.13208	6.4
187.14784	12.4
189.12738	1.9
189.16348	23.5
189.17964	1.3
191.14331	3.0
191.17963	3.9
193.15822	1.2
195.11595	1.0
197.13312	2.6
199.14748	7.8
201.12828	1.2
201.16354	9.1
203.14340	2.2
203.18002	4.9
205.15819	9.1
207.17397	12.0
209.13422	1.3
209.15337	1.3
211.14825	2.3
213.16335	10.5
215.14377	2.8
215.17882	8.1
217.15869	12.3
217.19484	1.9
219.17450	3.8
222.35022	0.8
223.14754	1.9
225.16342	2.4
227.17970	2.5
229.15886	1.6
229.19521	1.9
231.17416	14.6
233.15306	5.5
233.19077	2.7
235.16879	5.5
239.17963	2.6
241.19589	1.6
243.17656	1.2
243.20975	1.6
247.17133	1.2
249.18466	6.6
251.17984	1.4
253.19365	2.1
255.21082	3.6
259.20569	1.3
265.19464	1.2
267.21262	1.1
269.22601	2.0
271.20612	1.4
273.22119	2.4
279.20950	1.3
281.22473	0.8
285.22116	1.4
293.22464	2.0
295.24103	1.1
297.21964	1.6
299.23764	1.4
307.24307	1.1
309.25882	1.4
311.23706	1.4
313.25235	3.0
321.25571	1.1
325.25330	1.1
327.26770	1.7
331.26416	2.4
333.25742	2.2
337.25232	1.2
339.26782	2.2
343.26337	1.6
349.28821	1.8
351.26807	1.7
357.27878	1.6
361.02725	0.9
361.28854	0.9
365.28458	1.0
367.30084	1.6
369.27637	0.9
376.05106	1.0
379.29874	11.2
389.31433	1.0
397.30933	18.8
407.33038	6.6
419.32999	14.9
425.34009	14.2
437.34100	41.6
438.34442	0.9
443.27695	1.1
455.35156	46.4
456.35834	1.1
473.36203	6.5
517.35199	1.4
533.35492	1.2
587.32556	1.0
587.39417	25.1
605.40375	100.0
606.41022	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	605.4041
Annotation	Cauloside A
Peak:m/z	Relative Intensity
50.39957	0.3
53.03921	0.9
53.54007	0.4
55.01858	1.5
55.05502	3.4
56.74403	0.3
57.03429	5.8
57.07051	1.2
59.04994	1.0
59.86819	0.4
61.02918	6.9
65.03925	0.9
67.05494	7.5
69.03417	5.0
69.07061	5.3
70.30611	1.2
70.31030	0.7
71.01342	1.7
71.04984	11.1
73.02905	55.4
73.06523	0.4
79.05019	0.4
79.05478	7.5
81.03420	0.8
81.07042	20.6
83.04983	1.1
83.08593	3.3
85.02886	4.8
85.06530	1.1
87.04460	1.1
89.06024	0.4
91.05457	7.4
93.07030	17.1
95.04958	2.0
95.08591	21.8
97.02890	3.0
97.06535	2.0
97.10156	1.5
99.08078	8.2
99.08698	0.7
103.03938	0.4
105.07013	20.6
106.01488	0.3
107.04925	0.4
107.08576	26.1
109.06476	2.6
109.10141	18.1
110.32712	0.4
111.08067	2.9
111.11662	0.5
113.09607	0.7
115.03919	6.2
117.07008	2.4
119.08561	21.3
121.06512	1.4
121.10125	25.8
123.08049	2.6
123.11687	8.3
123.12500	0.6
125.05975	1.5
125.09603	9.0
125.10476	0.7
127.06647	0.5
127.07523	3.9
127.11176	4.6
127.78802	0.4
128.06224	0.5
129.06999	1.4
130.07755	0.5
131.08551	9.8
133.04947	1.7
133.10104	21.3
135.08038	13.2
135.11676	9.4
137.09589	5.7
137.13235	1.3
139.11185	2.6
141.06947	0.4
141.12764	0.5
142.07790	0.6
143.08553	3.5
143.09528	0.4
143.09726	0.4
143.10632	2.8
144.09390	0.7
145.10100	21.0
147.07970	0.7
147.11659	17.5
149.09593	14.6
149.13231	19.4
151.11154	4.2
153.12794	0.7
155.08592	1.1
156.09352	1.3
157.10115	6.4
158.10915	0.6
159.08064	0.6
159.11664	17.2
161.09656	2.1
161.13232	23.7
163.11145	2.3
163.14786	3.3
165.12827	0.9
167.10658	1.6
167.14276	0.9
169.10106	1.5
170.10843	0.6
171.11642	5.3
173.09801	0.4
173.13231	13.4
175.11172	1.3
175.14790	8.7
177.12790	1.3
177.16354	7.9
177.17903	0.5
179.14308	1.0
181.10101	0.5
182.10938	0.4
183.11678	2.5
185.08092	0.6
185.13222	4.6
187.14795	9.9
189.12720	0.8
189.16357	20.1
191.14320	2.3
191.17897	2.7
193.15715	0.6
195.11684	1.0
197.13205	2.4
199.14787	6.9
199.16422	0.4
201.16354	8.0
203.09171	0.6
203.14247	2.4
203.17950	3.0
205.15854	9.0
207.17415	9.2
207.19279	0.7
209.13458	0.8
209.15361	2.8
211.14786	1.9
213.16344	6.0
215.14334	2.2
215.17891	8.2
215.19749	0.6
217.15857	10.9
217.19499	1.4
219.17404	3.1
221.15376	0.8
223.14841	0.7
223.16963	1.1
224.15512	0.4
225.16270	1.9
227.17854	2.5
229.15875	1.7
229.19492	1.2
231.17400	13.6
231.20943	0.6
233.15335	6.2
233.18872	2.3
235.16899	3.5
235.20557	0.4
237.16359	0.8
239.17920	1.2
241.16052	0.4
241.19516	1.3
243.17419	1.2
243.21104	1.6
245.19023	1.3
247.16946	0.7
249.18475	3.8
251.17975	0.9
253.19606	1.6
255.21097	2.3
257.19052	0.6
259.20633	1.2
265.19577	0.6
267.21198	0.9
269.19034	0.6
269.22641	0.6
271.20584	1.7
273.22177	1.1
275.20206	0.5
279.21109	0.7
281.22620	0.7
283.20700	0.8
285.22037	0.8
287.23679	0.5
291.20963	0.4
293.22690	1.6
297.22150	1.1
299.23575	2.1
305.24930	0.4
307.24164	0.7
309.22400	0.5
309.25821	1.7
311.23709	1.0
313.25235	1.4
321.25726	1.2
325.25076	0.7
327.26886	1.2
331.26434	0.7
333.25769	1.5
339.26852	2.0
343.26099	0.8
347.27539	0.5
349.28860	1.8
351.26672	1.1
355.30005	0.8
357.27841	2.1
361.28912	0.6
365.28168	0.7
367.26114	0.5
367.29907	2.1
369.28033	0.5
379.29892	11.1
395.33286	0.6
397.30963	18.4
398.31427	0.4
401.31958	0.8
407.33005	5.1
409.34653	1.1
413.33838	0.5
419.33029	14.5
421.34787	0.5
425.34088	13.3
427.35538	0.4
437.34100	34.6
438.34589	1.4
439.35547	0.4
449.34659	0.4
455.35144	37.0
456.35434	0.8
473.36151	4.1
515.35748	0.5
517.35126	1.5
569.38501	1.0
587.39282	5.2
605.40381	100.0
606.40826	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	604.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.5
57.03434	0.5
58.06588	5.5
60.38885	0.3
61.02921	0.4
67.05461	0.5
68.05011	1.2
68.60425	0.2
69.03401	0.4
69.05807	0.9
69.07059	0.6
70.06577	11.9
71.04996	0.3
71.86542	0.3
72.08121	1.3
73.02921	1.6
79.05466	0.5
81.07033	0.7
84.08144	0.3
85.02872	0.7
85.06586	0.3
91.05478	0.8
93.07030	1.1
94.06524	0.4
95.04962	0.3
95.08584	1.2
97.02883	0.4
100.07626	1.4
100.11236	100.0
101.11562	0.8
103.05441	0.7
105.07015	0.6
106.06525	0.4
107.08552	0.7
109.02831	0.4
109.10162	0.8
114.09151	1.0
119.08552	0.7
120.08082	39.4
121.08490	0.3
121.10135	0.6
123.08064	0.3
123.11727	0.4
130.06468	0.3
130.08633	0.3
131.08542	0.6
132.08069	0.7
133.10109	0.7
134.05986	20.7
135.06786	4.0
135.11749	0.3
136.07533	0.4
137.09622	0.5
145.10040	0.5
146.06007	0.2
147.11690	0.5
157.06392	0.3
157.10172	0.4
159.08067	0.4
159.11670	0.3
161.13120	0.4
163.08714	0.4
171.10413	0.9
172.11153	0.6
174.09116	10.2
175.14824	0.3
177.05458	0.4
186.09113	4.0
199.18025	7.6
203.11765	12.1
204.12102	0.4
207.06659	0.3
208.21367	0.3
215.11844	0.3
227.17499	9.4
230.03821	0.4
281.12744	1.0
321.15967	0.3
350.18561	15.3
351.19153	0.6
378.18057	65.2
379.18521	2.4
455.35031	0.5
477.24695	1.2
505.24509	0.3
509.40350	0.3
604.22430	0.4
604.36176	0.8
605.40662	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	603.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.9
54.32745	2.1
55.01851	6.2
55.05500	46.3
57.03427	11.8
57.07066	44.2
67.05496	53.0
69.03433	2.3
69.07059	27.4
71.04948	2.2
71.08618	33.1
71.13853	4.9
79.05479	40.2
81.06596	4.0
81.07041	60.3
83.04950	4.7
83.08609	28.4
85.06504	3.9
85.10146	14.3
89.06007	3.3
91.04912	4.1
91.05468	71.9
93.06486	3.8
93.07024	39.7
95.04955	5.7
95.08589	52.4
95.59081	2.3
97.06472	5.2
97.10163	18.4
99.08077	3.0
103.05444	3.7
105.07016	64.3
107.04936	5.2
107.08556	21.4
109.06513	9.9
109.10158	14.3
111.08012	3.8
111.11681	3.1
115.05428	8.8
116.06222	4.8
117.07004	42.1
119.08566	35.3
121.06474	9.2
121.10109	8.8
123.08047	5.1
123.11663	5.0
125.09621	4.7
128.06209	21.3
129.06990	31.8
130.07756	12.6
131.08546	91.2
133.06461	4.3
133.10094	17.0
135.08029	6.9
135.11679	4.1
137.09590	2.6
139.11186	2.3
141.06950	11.8
141.09238	2.2
142.07738	9.5
143.08536	100.0
145.06471	3.9
145.10104	98.3
147.07994	7.9
147.11653	11.1
149.09602	4.9
155.08525	8.5
157.10110	22.1
159.08011	4.3
159.11670	20.8
161.09538	12.8
161.13202	3.6
163.11168	4.5
165.06898	3.2
167.08521	5.7
169.10097	20.0
171.11687	20.0
173.13213	3.5
175.11160	7.0
177.12726	3.3
180.09352	2.6
181.10057	13.7
183.11671	12.7
185.13229	8.5
187.11104	3.3
189.12674	2.4
195.11720	20.7
197.13145	2.1
199.11226	2.4
209.13289	2.8
227.17896	5.9
237.16383	19.2
241.14349	2.9
245.19035	7.3
255.17410	17.6
257.24554	2.6
259.20410	4.5
265.80899	2.5
273.18442	56.2
274.18893	2.7
275.20062	5.1
291.19431	7.6
293.21097	3.6
311.25677	8.7
313.27319	95.6
327.28894	2.3
329.21014	7.5
347.22092	28.9
349.23636	2.3
585.45062	35.7
603.46069	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	603.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52745	0.4
55.01864	0.8
55.05506	3.6
57.03426	3.2
57.07048	0.5
59.04985	0.6
61.02908	0.4
62.51756	0.4
64.48745	0.4
65.03928	0.8
67.04399	0.8
67.04781	1.9
67.05496	19.3
69.03432	2.1
69.07059	4.1
71.01368	0.5
71.04984	18.6
71.79209	0.6
73.02894	2.0
75.04462	1.4
79.05486	3.7
81.03405	1.3
81.07048	12.5
83.04974	2.8
83.08605	2.3
84.44305	0.4
85.02895	25.8
86.21862	0.4
87.04460	0.8
91.05459	4.2
93.07043	5.9
95.04965	3.5
95.08591	8.6
96.24221	0.4
97.06507	1.1
97.10126	1.1
97.88142	0.4
99.04477	0.6
105.07021	5.8
107.04963	0.4
107.08578	8.9
107.09312	0.5
109.06503	1.2
109.10143	100.0
110.10475	0.4
110.95066	0.4
111.04433	2.2
111.08076	1.0
113.06022	0.8
115.05442	0.5
117.06980	1.0
119.08568	8.9
121.06512	0.7
121.10132	6.1
123.08066	1.2
123.11690	3.5
125.09620	0.8
129.05470	6.6
131.08549	3.4
133.10109	6.4
135.08026	1.5
135.11658	3.5
137.09576	1.0
137.13301	0.7
139.11200	0.5
142.07785	0.4
143.08557	1.6
145.06467	0.5
145.10110	6.5
147.04425	0.9
147.06496	1.6
147.11679	4.4
149.09605	1.6
149.13237	4.2
151.11159	1.8
156.09108	0.4
157.10120	2.9
159.06563	0.9
159.11696	4.2
161.05966	0.5
161.09612	1.0
161.13229	4.0
163.11157	1.9
163.14806	1.3
165.12709	0.5
169.10162	0.6
171.11690	1.9
173.13269	3.5
175.11188	1.4
175.14807	1.8
177.12764	0.8
177.16348	1.0
179.14267	0.6
183.11668	1.1
185.13263	1.3
187.14822	2.9
189.16318	3.4
191.17986	0.7
197.13359	1.2
199.14854	1.1
201.12813	1.1
201.16328	3.3
203.17909	0.8
205.15909	1.9
207.17467	1.4
211.14876	0.5
213.16397	1.4
215.17928	3.5
217.15834	1.1
217.19562	0.6
219.13789	0.7
219.17389	0.8
225.16403	0.8
229.19493	0.6
231.17656	0.5
233.18866	0.9
239.18016	0.5
253.19672	0.7
255.15816	0.5
255.21304	0.9
295.24100	0.5
313.25195	1.0
361.56003	0.4
363.30246	2.0
367.77902	0.5
375.30371	0.5
381.31601	1.3
401.30429	0.8
403.33752	0.9
409.34888	0.8
421.34674	5.4
439.35776	7.3
455.34958	0.5
456.35394	0.7
457.36719	4.8
469.36349	0.5
481.36221	0.6
509.36517	0.6
521.97028	0.5
549.39276	1.0
567.40411	1.5
585.30951	0.7
585.41162	2.2
603.42535	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	603.3888
Annotation	UNII-5M144D60TC
Peak:m/z	Relative Intensity
53.03929	1.3
55.01859	2.9
55.05503	12.0
57.03431	6.6
57.07055	1.3
59.04997	1.3
61.02917	6.0
65.03927	1.5
67.05134	0.8
67.05499	16.7
69.03419	8.8
69.07059	16.6
70.06588	0.5
71.01334	1.8
71.04984	3.4
71.08640	0.7
73.02907	42.8
79.05479	11.5
81.03398	1.6
81.07048	27.9
83.04961	5.1
83.08606	5.2
85.02892	10.7
85.06544	1.1
87.04473	1.6
91.05459	14.3
93.07034	20.4
94.07392	0.9
95.04967	4.6
95.08595	32.5
96.08934	0.7
97.02881	5.7
97.06522	3.1
97.10158	10.8
99.04425	0.8
99.08064	1.0
103.03947	0.8
103.05450	1.1
105.07018	31.1
105.83907	0.6
106.07354	0.7
107.04961	3.0
107.08578	44.6
108.08893	1.2
109.02880	1.1
109.06505	4.7
109.10141	35.3
110.10458	0.7
111.04417	1.2
111.08092	3.4
111.11729	0.7
111.27397	0.5
115.03925	6.6
115.05438	1.1
115.12796	0.5
116.35560	0.6
117.06991	5.2
119.04945	0.8
119.08565	25.3
120.08891	0.8
121.06520	3.0
121.10131	22.9
123.08100	3.6
123.10860	0.5
123.11681	12.2
124.11963	0.7
125.05968	2.3
125.09613	14.9
127.03849	0.8
128.06197	1.4
129.05461	1.1
129.07001	2.2
131.08553	13.4
133.04913	2.9
133.06503	1.2
133.10110	21.2
134.10437	0.7
135.08069	3.2
135.11670	12.0
137.09573	2.7
137.13258	1.4
139.07591	0.9
139.11180	1.7
141.06979	1.4
142.07785	1.7
143.08559	7.7
143.10648	1.1
144.09309	0.7
145.04912	0.7
145.06523	1.5
145.10104	18.2
146.10443	0.6
147.04413	2.5
147.08043	2.3
147.11665	16.6
148.12021	1.2
149.09550	3.2
149.13229	10.2
151.11195	2.5
155.08534	1.4
157.10097	10.5
158.10609	1.0
159.08038	1.8
159.11673	16.0
161.09633	2.2
161.13237	13.1
163.07564	1.6
163.11176	2.7
163.14835	3.4
164.27026	0.6
165.06850	0.7
165.09129	1.2
165.12729	1.1
167.08516	1.1
169.10143	2.4
170.06003	1.1
170.10999	0.8
171.08044	0.8
171.11668	8.6
173.09613	2.0
173.13234	9.6
175.11177	2.5
175.14801	5.9
177.09088	1.8
177.12709	4.1
177.16377	2.4
179.10786	1.0
179.14316	1.1
181.10201	1.6
182.10933	0.8
183.11638	3.8
185.09708	1.0
185.13237	8.0
186.13618	0.7
187.11133	1.2
187.14784	8.2
189.09053	1.0
189.12828	1.3
189.16350	5.4
191.10686	1.6
191.14307	1.7
191.17923	3.4
195.11722	1.5
195.13702	0.8
197.13217	4.2
199.11218	0.9
199.14787	6.2
201.09079	0.7
201.12689	1.6
201.16360	22.2
202.16634	0.8
203.10695	1.1
203.14354	2.2
203.17958	2.8
205.15924	2.1
207.11781	0.7
207.13846	0.8
207.17416	1.7
209.13284	1.7
211.14778	3.2
213.12776	1.4
213.16316	4.1
215.14340	1.6
215.17909	2.7
217.15878	1.9
219.13789	1.2
219.17456	1.2
221.15317	1.0
223.14850	1.6
225.16409	2.0
227.18008	1.8
229.12354	0.8
229.15857	2.0
229.19614	1.7
231.13835	2.0
231.17415	1.3
233.15326	1.1
233.19081	0.8
235.14784	0.7
237.16444	1.6
239.14497	0.8
239.18002	2.2
241.15988	0.6
241.19490	9.3
243.21112	1.6
245.15466	2.0
247.16916	4.1
251.18024	1.2
253.19423	3.8
255.17488	0.9
255.21062	0.9
257.15424	0.8
257.18970	0.8
259.17377	0.7
259.20547	13.4
265.19473	0.9
267.21249	1.0
269.19083	1.0
271.20599	1.2
273.18414	1.1
279.21048	0.6
281.22552	1.2
291.21082	0.9
293.22809	1.0
295.20966	1.0
297.22064	0.8
299.20325	0.7
299.23849	1.6
301.14310	0.7
301.21603	0.7
309.22260	1.7
311.23712	4.1
313.21741	1.3
323.23996	0.7
327.23227	2.3
329.24692	3.0
335.27640	0.9
339.23248	0.7
339.26950	0.7
349.25287	1.0
359.26855	0.7
365.28345	3.0
367.26221	4.0
377.28442	1.2
379.26117	1.3
383.29440	1.2
385.27435	1.9
393.31796	1.4
395.29355	4.4
405.31635	1.9
407.33118	2.3
411.32373	1.1
417.31317	3.3
423.32373	4.7
425.34222	0.6
435.32513	10.0
439.35538	0.9
453.33545	14.1
457.35895	1.8
459.27405	0.6
471.34705	11.9
472.35333	1.1
515.33856	0.9
549.36237	0.8
567.38190	1.1
570.88062	0.6
585.30054	1.4
585.37982	5.2
603.38861	100.0
604.39142	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	602.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05507	10.3
57.03436	12.3
57.06829	2.3
57.07069	30.1
58.31636	1.6
58.40955	1.7
59.04980	4.5
62.43976	1.5
67.05492	41.2
69.03413	3.9
69.07053	13.1
69.55749	16.1
71.04980	4.0
71.08619	26.2
79.05486	12.8
79.60645	1.9
81.03393	9.3
81.07045	26.0
83.04974	2.8
83.08601	13.5
85.02885	4.5
85.06532	1.9
85.10159	13.3
89.06013	3.0
91.05466	12.9
93.07035	12.6
95.04955	9.2
95.08594	22.4
97.10139	5.2
105.07019	5.5
107.04916	7.9
107.08560	6.5
109.06483	5.3
109.09395	2.7
109.10142	47.4
111.04422	2.0
111.08057	2.7
111.11669	1.8
117.06992	7.1
119.04896	1.7
119.08561	6.4
119.37247	1.9
121.06475	6.0
121.10106	5.9
123.11682	3.9
131.08501	5.4
133.10085	2.9
135.07961	3.0
135.11691	2.5
137.09641	1.9
139.11180	1.8
143.08545	3.6
145.06497	2.1
145.10089	4.2
147.11642	1.9
149.13306	2.3
159.11630	3.2
161.09454	2.2
169.10043	2.9
173.11723	12.3
177.12692	2.8
187.11160	6.0
200.83302	1.6
205.12189	4.0
223.13283	17.1
229.14322	53.0
257.24698	2.3
279.15717	3.5
297.16904	34.3
297.20004	3.3
313.27322	100.0
314.27396	1.9
341.30289	2.9
467.37213	32.5
535.39996	21.3
602.44922	5.1
603.45972	3.1
613.86035	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	602.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01854	0.4
61.02918	0.3
65.03952	0.2
66.53296	0.2
67.05482	0.2
68.99383	0.2
69.03419	1.0
70.06377	1.1
71.04971	0.4
72.08131	0.4
72.89508	0.2
77.03896	0.2
78.04688	1.8
79.05472	3.5
81.03390	0.7
81.07038	0.4
85.02876	2.0
86.09691	0.4
91.05462	1.7
93.07011	0.7
94.04165	0.3
95.04949	0.7
95.08616	0.3
96.05705	0.3
97.02875	1.0
98.84327	0.2
103.05447	3.6
105.07006	4.3
106.04126	1.2
107.04939	5.9
109.02841	0.5
109.06491	0.5
114.09127	0.7
115.05452	1.5
117.06979	1.0
118.04126	0.2
119.04896	0.7
119.08549	0.3
121.06497	1.4
122.03633	0.2
123.04404	4.1
123.08035	0.6
124.05183	2.0
125.05970	0.7
127.03889	0.9
128.06210	0.2
129.06992	0.9
130.08580	0.5
131.04904	6.2
131.08536	1.2
132.05800	0.2
133.02811	0.6
133.06465	4.5
133.10030	0.3
134.03610	0.4
135.04398	0.6
135.08018	1.5
136.05209	0.3
136.06181	0.3
136.07507	0.3
137.05948	3.0
141.06943	0.7
143.04921	0.5
143.05988	0.3
143.08479	0.5
144.05676	0.8
145.04861	0.2
145.06485	2.3
145.10074	0.4
147.04395	1.9
147.08017	0.3
149.05951	0.9
151.03893	1.1
151.07510	3.1
152.04684	2.1
153.05406	0.4
157.06429	0.6
158.07245	0.8
159.08044	2.0
160.05203	0.3
161.05945	5.8
162.07639	0.4
163.03908	1.0
163.07513	11.2
164.06966	0.3
165.05484	0.3
165.09102	0.6
166.08740	0.2
167.07004	100.0
168.07362	1.3
169.06416	0.3
172.05190	0.5
173.05969	1.2
173.09558	1.2
175.03828	0.2
175.07489	1.9
177.05431	0.7
177.09091	2.8
178.04922	0.5
178.06288	0.4
179.06976	3.6
180.08713	0.3
181.08566	4.9
186.06665	0.4
187.07484	3.0
189.09000	1.0
191.07013	0.3
192.07771	0.8
193.08574	14.3
194.09000	0.3
195.10118	0.6
201.09073	2.0
203.08705	0.4
204.07773	0.4
205.08574	1.1
206.04454	0.6
207.10126	0.8
217.08534	0.8
219.10066	2.7
221.11674	0.4
231.07924	0.5
231.10097	0.3
233.11711	3.4
234.06039	0.2
235.11263	0.4
237.11160	2.9
248.08278	0.3
249.11163	2.2
250.11523	1.8
251.12688	2.1
263.10626	0.6
291.10114	0.8
295.13330	0.7
305.11472	0.3
323.12704	1.6
325.10623	0.4
355.15344	13.2
356.15814	0.7
387.17953	14.8
388.18295	0.8
405.19009	36.3
406.19366	1.9
423.19925	1.6
602.27161	0.3
614.31573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
54.92830	2.2
55.01860	3.4
55.05502	17.4
57.07069	15.2
59.04992	3.1
64.65080	2.3
65.03917	4.2
67.05173	2.7
67.05499	34.4
69.03416	13.1
69.07050	24.6
71.04984	3.7
71.08598	4.6
79.05480	31.5
81.03407	16.1
81.06590	3.4
81.07040	43.4
83.04971	18.6
83.08608	15.0
85.06514	8.3
85.10159	2.5
87.04413	2.9
87.39217	1.7
89.06001	3.8
91.05470	55.5
93.07034	73.6
95.04963	28.1
95.08594	48.9
97.06528	12.7
97.10147	2.8
98.20669	6.2
99.08012	2.4
103.05434	3.9
105.07017	92.5
107.04922	2.3
107.08573	75.6
108.08844	2.3
109.06518	16.3
109.10137	33.8
111.08057	7.2
111.11688	3.0
113.09624	5.9
115.05433	7.8
116.06205	3.3
117.07005	23.8
119.08563	100.0
121.06487	12.9
121.10123	83.6
123.08046	13.1
123.11734	11.9
125.05987	2.7
125.09643	12.8
128.06183	11.6
129.06995	17.9
130.07750	9.1
131.08545	40.1
133.06447	3.4
133.10117	51.6
135.08049	19.6
135.11671	16.9
137.09596	8.8
137.13165	3.3
139.11133	6.3
141.06956	7.5
142.07767	19.0
143.08548	36.3
144.09322	10.9
145.06401	3.6
145.10101	73.4
146.10651	2.2
147.08044	16.1
147.11674	22.4
149.09592	20.1
149.13257	5.9
151.07555	5.4
151.11108	3.2
153.07013	3.4
154.07745	2.6
155.08539	15.6
155.10643	5.4
156.09306	17.8
157.10118	59.2
158.10799	9.7
159.08022	17.1
159.11653	37.2
161.05910	5.4
161.09561	12.1
161.13246	7.3
163.11156	9.5
165.07004	4.3
165.09111	16.6
166.07736	3.3
167.08572	10.7
167.10649	65.5
168.09308	5.6
168.10992	2.5
169.10101	25.9
170.07100	2.6
170.10869	5.6
171.11674	36.2
173.05910	7.1
173.09578	5.7
173.13214	18.8
175.11176	11.2
175.14810	18.7
177.12704	3.4
179.08508	8.4
180.09258	6.1
181.10039	16.0
181.12242	3.1
182.10846	9.3
182.12320	2.2
183.11650	25.9
184.12465	3.0
185.09615	4.6
185.13255	17.4
187.07487	2.8
187.11177	4.7
187.14766	11.6
189.12729	8.5
191.14291	7.4
192.09373	5.0
193.10080	12.3
193.11917	2.7
194.10860	8.3
195.11665	23.2
196.12395	8.0
197.09445	2.3
197.13280	23.9
197.18347	1.9
199.11165	4.0
199.14807	14.4
201.12694	6.4
201.16364	7.0
203.14328	12.9
205.10027	3.5
205.15881	3.4
206.10846	7.9
207.11690	13.3
207.13445	2.4
208.12375	5.9
209.13234	25.9
209.15158	3.5
210.13858	4.8
211.14792	17.9
213.16309	6.6
215.14294	4.9
217.15826	6.0
218.10931	2.9
219.11650	4.9
219.17499	3.1
220.12340	5.1
221.13228	10.1
221.15344	40.4
222.13902	3.3
223.14793	19.6
225.12714	5.7
225.16382	8.7
227.14223	5.0
227.17876	2.8
229.15826	2.4
229.98752	2.4
231.11601	6.2
232.12465	2.6
233.13220	5.0
233.15315	32.5
234.13927	3.3
235.14706	9.3
235.16815	3.7
236.15427	3.3
237.16307	8.6
239.17908	5.2
243.13762	4.2
245.13264	3.1
246.14058	2.7
247.14784	5.0
249.16283	6.7
251.17931	5.8
253.19461	5.1
255.17288	2.8
259.14841	4.0
261.16257	5.8
263.18002	5.4
265.19409	4.5
267.17368	3.3
269.18988	10.5
271.13269	7.5
271.20587	2.2
273.16049	2.8
273.18607	5.0
275.17749	4.3
277.19330	2.9
281.18948	6.3
283.20547	9.0
285.18616	4.9
287.20218	4.5
289.14322	3.4
289.19421	5.9
293.18781	2.9
295.20599	6.4
297.22086	2.6
299.20203	4.9
301.21771	3.5
309.22046	3.9
311.20087	3.4
313.27261	3.6
321.21948	2.5
331.24094	3.8
335.23892	2.4
345.17047	3.0
347.23602	3.1
349.25070	4.0
365.24658	2.6
375.26874	2.9
377.24536	2.5
491.34946	3.3
565.40039	7.6
583.41486	15.6
601.23871	10.8
601.41748	43.9
602.41351	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.5
51.02361	2.0
53.03938	5.2
55.05510	16.1
57.07065	11.6
59.04995	4.8
61.63949	1.8
65.03934	4.1
67.05501	35.7
68.05820	2.9
69.03426	15.1
69.07059	25.3
70.14329	10.6
70.14629	2.1
71.04984	5.0
71.08633	3.8
77.03888	2.7
79.05484	34.0
79.05914	2.9
80.05827	3.5
81.03406	5.8
81.07043	48.2
83.04969	20.7
83.08605	15.1
85.06528	6.4
87.04465	3.6
89.06023	7.4
91.05469	54.5
91.06030	3.3
92.05783	2.6
93.07030	74.4
94.07352	4.1
95.04959	26.5
95.07996	3.3
95.08588	43.8
96.05295	2.8
96.08965	2.2
97.06509	14.8
97.10146	4.5
99.08119	1.9
100.78165	1.8
103.05463	5.4
105.07014	100.0
106.07338	4.1
107.04951	4.1
107.08580	76.7
108.08942	2.7
109.06503	16.4
109.10136	36.8
109.65660	1.9
110.10522	3.6
111.08074	6.7
111.11719	3.1
113.09633	4.6
115.05465	8.4
116.06261	3.4
117.06997	21.3
119.08568	92.2
120.08878	4.4
121.06505	11.6
121.10130	76.5
122.10478	2.5
123.08035	18.8
123.11713	12.0
124.08400	2.5
125.06010	3.0
125.09571	12.9
128.06189	12.4
129.07004	16.8
130.07835	10.7
131.08545	46.8
132.08920	2.8
133.06447	4.8
133.08580	4.4
133.10104	64.1
134.10461	4.5
135.08037	18.1
135.11691	18.0
137.09604	10.7
137.13219	2.4
139.11171	5.1
141.06995	9.5
142.07755	22.2
143.08556	44.7
144.09332	9.7
145.06467	4.6
145.10106	69.5
146.07376	2.5
146.10518	6.2
147.08028	16.6
147.11662	27.9
148.12036	2.1
149.09561	17.7
149.13243	6.1
151.07542	6.1
153.07010	3.2
154.07782	3.0
155.08577	17.4
155.10698	7.9
156.09334	18.5
157.10118	59.5
157.62711	1.8
158.10600	10.1
159.08058	19.0
159.11687	39.3
160.08658	3.8
160.11995	3.3
161.05965	1.9
161.09612	15.3
161.13231	7.0
163.11180	7.1
165.06978	8.8
165.09036	10.6
166.07744	4.3
167.08615	10.1
167.10658	58.3
168.09273	6.8
168.10944	3.2
169.10109	28.5
170.10837	10.7
171.11676	38.3
172.08893	3.4
172.12105	5.4
173.09608	7.2
173.13228	27.4
174.10202	2.1
174.13625	2.1
175.11162	12.1
175.14832	14.6
176.11588	2.5
177.11295	2.5
177.12762	3.7
178.07632	2.1
179.08536	10.4
180.09256	7.0
181.10098	18.9
181.12209	8.4
182.10899	10.3
183.11665	28.1
184.12173	5.6
185.09608	4.0
185.13245	22.3
186.13750	4.2
187.11169	7.2
187.14801	9.5
189.12753	8.3
191.14299	5.7
192.09308	3.2
193.10086	15.1
193.11856	2.2
193.15811	1.9
194.10912	11.3
195.11668	28.0
196.12323	10.9
197.13194	27.8
198.13773	6.4
199.11183	6.4
199.14780	16.3
200.11734	1.8
200.15359	3.0
201.12654	4.6
201.16370	8.0
203.14275	8.3
205.10161	2.9
206.10909	7.8
207.11650	14.4
208.12354	8.5
209.13281	23.8
209.15247	4.2
210.13890	7.1
211.11200	4.2
211.14751	19.1
213.12741	6.4
213.16353	5.5
215.14339	6.7
216.14612	3.2
216.61829	1.9
217.15849	7.5
218.10951	2.6
219.11626	3.9
220.12430	4.6
221.13228	16.3
221.15387	19.9
222.13812	5.1
222.15765	3.4
223.11304	3.4
223.14804	17.5
224.15309	5.3
225.12677	6.5
225.16408	7.8
227.14342	4.7
227.17897	3.7
229.15810	2.2
231.11607	3.7
232.12332	3.2
233.13196	5.8
233.15300	31.2
234.15833	5.3
235.14748	9.6
236.15388	3.5
237.12810	2.5
237.16415	5.0
239.14316	4.4
239.17917	5.1
245.13187	5.3
246.13921	2.2
247.14772	9.3
247.17030	2.7
249.16354	6.6
251.17899	6.1
253.15878	2.3
255.17435	10.1
256.17773	7.3
258.13965	3.1
259.14706	4.2
260.15616	3.4
261.16354	7.6
262.16699	2.9
263.17957	7.6
265.19531	6.0
269.19031	9.3
270.19516	3.4
271.20349	4.0
272.15479	2.6
273.16180	3.7
273.18726	4.0
274.16867	2.0
275.17798	5.0
277.19571	4.2
281.18845	5.3
283.20496	5.9
285.18634	3.7
286.19180	2.7
287.20010	5.1
289.19507	2.4
295.20462	2.2
299.20184	4.7
301.21689	3.0
313.21637	3.1
313.27258	2.6
329.22763	2.4
347.23724	3.9
349.25266	3.4
377.24075	2.2
384.25711	2.5
491.35083	3.4
525.37775	2.4
565.40210	6.6
568.40460	2.2
583.41553	10.9
601.41986	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05502	18.9
57.07058	17.5
59.04990	5.8
66.84190	3.1
66.98360	3.0
67.05508	35.1
69.03408	10.7
69.07051	27.5
69.13915	3.2
71.04956	3.9
71.08623	3.9
71.80122	3.6
71.80476	3.8
79.05485	23.9
81.03370	3.7
81.07043	48.6
82.34887	3.0
83.04951	6.4
83.08610	17.0
85.06534	8.6
89.06025	7.0
91.05467	35.7
93.07023	52.4
95.04951	17.9
95.08595	43.6
97.06516	14.3
97.10159	6.1
99.08054	3.5
105.07025	56.1
106.07378	4.6
107.04925	4.9
107.08575	39.6
109.06513	13.1
109.10149	26.6
111.08054	3.2
115.05442	5.2
116.26560	3.6
117.06986	12.6
119.08561	59.9
121.06486	3.6
121.10131	39.6
123.08050	24.8
123.11701	3.5
125.06009	3.2
125.09608	7.2
128.06163	7.8
129.06987	6.3
131.08551	20.2
133.08557	3.4
133.10118	35.2
135.08025	13.9
135.11705	15.7
137.09593	10.8
139.11136	5.8
142.07733	12.9
143.08545	18.2
144.09251	6.7
145.06465	4.3
145.10121	40.6
146.10435	4.5
147.08029	20.9
147.11713	18.0
149.09589	5.2
149.13193	6.4
151.07500	12.1
151.11153	4.1
155.08553	9.6
155.23045	3.6
156.09280	14.4
157.10114	29.6
158.10835	7.6
159.08008	7.9
159.11732	25.5
160.08739	3.3
161.09576	10.1
161.13185	8.1
163.11217	11.6
165.06999	3.6
165.09088	42.0
166.09331	5.1
169.10078	15.5
170.10751	4.3
171.11687	22.5
173.13228	14.1
175.11151	6.6
179.08415	5.1
181.10072	8.4
181.12204	11.0
183.11681	14.3
185.13239	11.0
186.13576	3.7
187.11136	5.3
187.14803	8.7
189.11131	4.1
189.12723	5.9
193.10184	4.2
193.12221	4.7
194.10820	4.8
195.11681	10.4
196.12294	5.0
197.13206	11.1
199.14702	6.3
203.14261	16.2
207.11732	5.7
207.13719	8.7
208.12444	4.6
209.13228	10.2
209.99667	3.9
211.11151	4.2
211.14764	7.7
213.12666	3.4
213.16515	4.5
221.13373	5.7
221.15331	100.0
222.15712	8.4
223.14841	7.9
225.16258	4.3
234.16122	7.1
235.14651	6.1
241.19414	3.5
247.17033	6.3
257.18811	3.6
267.15765	5.1
273.18155	5.2
287.19907	4.0
291.19553	11.6
311.25903	4.8
325.21631	5.0
326.22406	3.2
339.28516	4.0
340.28903	5.2
352.24023	7.9
353.24274	12.1
367.26334	5.4
509.35727	4.3
521.35779	15.7
566.41266	6.3
583.41504	7.8
601.42065	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28244	1.4
52.24883	1.6
53.03938	4.7
55.01877	2.0
55.05502	21.6
57.07066	13.1
59.04985	4.4
65.03920	4.7
67.05494	34.8
68.05817	1.7
69.03416	14.3
69.07058	24.4
69.55003	15.4
70.07388	1.7
71.04978	3.3
71.08605	1.7
77.03908	2.3
79.05479	38.1
80.05826	1.7
80.06248	1.7
81.03411	5.9
81.07043	53.3
83.04968	23.5
83.08606	17.0
84.05309	2.0
85.02869	2.8
85.06532	5.4
87.04462	5.5
89.06010	3.9
91.05464	59.2
92.05804	5.0
93.07027	74.2
94.07346	2.2
95.04955	29.7
95.08588	36.8
96.08933	2.3
97.06513	13.3
97.10181	3.6
99.08091	2.1
103.05465	4.4
105.07015	100.0
106.07369	6.1
107.04971	2.9
107.08576	80.4
108.08890	2.7
109.06508	17.7
109.10139	34.2
109.10852	2.4
110.10464	2.4
111.04401	1.6
111.08073	5.2
113.09642	4.0
115.05462	7.2
116.06179	1.8
117.07000	21.5
119.04928	4.0
119.08564	91.7
120.08871	4.1
121.06495	14.1
121.10128	85.8
122.10450	3.1
123.08056	21.7
123.11714	11.4
124.08394	2.6
125.05956	3.3
125.09612	16.5
128.06172	14.0
129.07013	23.2
130.07820	8.8
130.39922	1.8
131.08548	49.5
132.08946	2.9
133.06467	4.7
133.08595	2.7
133.10110	62.1
134.10422	2.8
135.08009	17.7
135.11671	21.9
137.09613	7.9
137.13284	2.2
139.11153	8.1
141.06929	8.0
142.07764	24.5
143.08545	43.6
144.09354	13.7
145.06468	6.3
145.10109	72.3
146.10466	6.0
147.04353	11.3
147.08005	13.1
147.11658	26.4
148.11966	2.3
149.09592	20.6
149.13245	6.8
151.07535	5.4
151.11148	4.3
151.14732	1.7
153.07014	3.5
154.07713	1.9
155.08542	17.5
155.10634	6.5
156.09334	17.8
157.10115	58.5
158.10635	9.6
159.08063	16.9
159.11668	40.7
160.05280	1.5
160.08598	3.1
160.12096	4.5
161.06038	3.2
161.09590	13.1
161.13263	10.8
163.11118	11.4
165.07005	6.4
165.09085	11.8
165.12756	2.0
166.07741	2.8
167.08568	12.0
167.10657	55.3
168.09315	6.5
168.10902	2.5
169.10094	27.2
170.10886	10.0
171.07950	1.6
171.11659	31.5
172.08762	3.3
172.12148	6.1
173.06068	2.8
173.09592	9.7
173.13228	23.4
174.10196	1.8
175.11227	9.5
175.14767	14.9
176.11644	2.7
177.09196	2.5
177.12784	2.5
178.07703	2.0
178.47710	1.5
179.08488	9.5
180.09242	7.0
181.10107	17.3
181.12213	6.6
182.10902	11.1
183.08113	2.0
183.11655	31.0
184.08827	1.9
184.12317	6.5
185.09587	5.0
185.13239	19.2
186.13716	5.6
187.11195	5.3
187.14822	10.5
189.12727	8.8
189.16383	3.8
191.08556	2.1
191.14224	6.2
192.09383	3.6
193.10115	14.2
193.11845	2.7
193.15825	1.7
194.10878	10.0
195.11647	23.6
196.12350	10.5
197.09509	3.6
197.13237	27.4
198.13741	5.5
199.11177	6.1
199.14789	14.7
200.15204	2.7
201.12704	6.3
201.16347	5.3
202.13138	2.0
203.08588	2.8
203.14296	10.3
203.17938	4.2
204.09401	2.1
205.10112	3.2
205.15817	3.8
206.10875	6.1
207.11707	18.0
207.13605	3.3
208.12360	10.4
209.13220	21.2
209.15225	2.8
210.13799	6.5
211.11198	3.7
211.14767	18.3
212.15428	3.1
213.12711	5.8
213.16373	7.2
215.14314	6.8
216.14641	2.5
217.10124	2.1
217.15842	4.1
219.11696	5.0
220.12376	5.1
221.13219	15.4
221.15366	31.0
222.13829	4.7
222.15765	2.1
223.11154	1.8
223.14732	14.1
224.11726	2.3
224.15405	3.8
225.12726	3.1
225.16281	8.3
227.14264	6.1
227.17859	3.6
229.15771	2.5
231.11588	2.5
231.17361	1.7
232.12361	3.0
233.13148	8.1
233.15363	30.7
234.13867	3.1
234.15959	5.9
235.14799	11.4
235.16846	2.0
236.15326	3.8
237.16315	9.5
238.16849	3.6
239.14258	3.1
239.17903	3.7
241.15852	2.2
241.19518	2.0
243.11662	2.2
243.13869	1.9
244.12244	1.8
245.13008	2.5
246.13794	3.7
247.14784	7.4
247.17017	3.8
248.15335	2.3
249.16342	7.0
250.17047	2.6
251.14326	2.5
251.17783	7.6
253.19476	3.0
255.17470	8.7
256.17816	3.7
257.13214	2.7
257.18927	2.4
258.13934	2.1
259.14719	5.6
261.16248	4.0
262.16919	3.1
263.17865	5.8
264.18427	2.7
265.15799	1.7
265.19485	4.7
267.17456	2.3
269.19046	8.7
270.19446	3.0
271.13174	2.9
271.20346	2.8
273.16031	2.9
273.18597	3.6
275.17841	5.3
277.19427	3.6
279.17493	2.7
279.20764	1.9
281.18912	5.0
283.20560	6.4
285.18579	2.4
287.20236	3.3
289.19547	3.4
291.20767	2.1
293.19040	1.8
295.20547	4.9
297.22058	3.2
299.19980	5.0
300.20770	3.1
301.21793	3.8
303.21152	2.1
307.20639	2.0
309.21899	2.8
313.27332	2.2
320.52844	1.8
327.21332	1.8
329.22696	2.0
335.23584	2.1
349.25266	2.1
361.25204	2.1
365.24475	2.8
367.26172	4.1
377.24710	1.8
379.26370	2.2
383.26529	2.1
384.26086	2.1
427.29611	2.7
491.34930	4.1
498.19897	1.6
565.39911	4.7
583.41132	12.2
601.42603	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	601.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
53.03921	4.5
54.12244	1.7
55.05502	24.6
57.07066	11.7
59.04978	4.7
64.53823	1.8
65.03930	5.6
65.64902	1.8
67.05502	29.7
69.03419	13.9
69.07060	26.9
70.51332	3.4
70.51738	6.3
71.04970	3.8
79.05482	33.8
79.05925	3.4
81.07043	43.4
82.07397	2.2
83.04968	22.5
83.08614	16.7
85.06531	6.8
87.04462	3.2
91.05465	58.1
92.05793	2.6
93.07033	82.9
94.07365	2.8
95.04963	26.0
95.08596	43.4
96.08918	2.7
97.06535	16.2
103.05430	4.7
105.07016	100.0
106.07317	4.5
107.08579	81.4
108.08878	2.7
109.06501	16.6
109.10149	36.0
111.04354	2.0
111.08053	4.7
111.11708	2.3
113.09614	5.4
115.05456	7.4
115.31894	1.7
116.06226	2.5
117.07005	22.1
119.08569	97.8
120.08796	3.8
121.06497	14.7
121.10130	86.3
122.10477	2.7
123.08084	14.5
123.11681	9.9
125.05977	2.9
125.09630	14.8
128.06174	11.9
129.06993	19.2
130.07835	11.8
131.08554	47.3
133.06467	4.4
133.10120	62.0
133.11139	3.3
134.10464	2.0
135.08051	19.2
135.11676	21.1
137.09593	8.4
139.11165	5.8
141.06915	9.5
142.07782	23.5
143.08543	45.0
144.09279	9.4
145.06476	3.0
145.10104	69.9
146.07245	2.7
146.10506	3.8
147.08034	11.0
147.11667	23.3
149.09619	20.1
149.13297	3.2
151.07571	4.3
151.11176	4.2
153.06984	4.3
153.08977	2.2
154.07762	2.9
155.08533	16.3
155.10658	7.8
156.09317	20.2
157.10106	57.9
157.62019	2.1
158.10805	9.1
159.08067	17.6
159.11671	40.7
160.08742	3.6
160.12083	3.0
161.09608	16.5
161.13235	10.3
163.11163	8.1
165.07002	8.2
165.09103	10.5
166.07721	3.8
167.08548	11.2
167.10660	56.4
168.09325	7.6
169.10117	29.9
170.10864	8.9
171.08057	2.5
171.11674	34.3
172.08823	2.7
172.12158	3.0
173.09659	9.8
173.13235	25.9
174.13744	2.9
175.11169	13.0
175.14821	14.5
177.12802	4.2
179.08508	10.9
180.09239	4.7
181.10098	19.4
181.12195	5.5
182.10866	8.9
183.08017	2.5
183.11658	27.9
184.12297	4.2
185.09608	5.6
185.13193	20.3
186.13741	2.4
187.11165	6.5
187.14851	10.4
189.12686	8.5
191.08461	2.0
191.14299	7.3
192.09306	4.5
193.10100	15.7
194.10849	7.1
195.11694	24.4
196.12308	8.3
197.13214	23.8
198.13649	3.5
199.11142	4.6
199.14807	14.5
200.15186	2.1
201.12730	5.6
201.16386	4.7
202.16815	2.2
203.14285	7.7
205.10114	4.4
206.10902	7.8
207.11655	13.6
207.13551	3.5
208.12436	8.8
209.13254	28.9
210.13849	6.3
211.11128	4.0
211.14781	15.8
212.15475	3.4
213.12747	5.7
213.16388	6.5
215.14314	6.8
217.15892	3.4
219.11679	7.4
220.12425	5.0
221.13206	14.3
221.15364	17.3
222.13818	4.8
223.14792	13.0
224.15422	3.0
225.12717	5.4
225.16353	10.7
227.14366	6.0
229.15790	2.9
231.11693	4.8
232.12469	2.3
233.13234	5.1
233.15347	32.0
234.13889	2.9
234.16043	3.6
235.14825	10.9
235.16898	2.2
236.15527	3.2
237.12703	2.0
237.16330	7.7
239.14272	3.2
239.17944	1.9
243.11807	2.1
244.12578	2.3
245.13132	4.9
247.14659	9.1
248.15599	2.8
249.16347	8.1
251.17926	8.4
253.19463	3.9
255.17453	5.4
256.17868	4.4
257.19028	2.3
259.14648	4.5
260.15564	3.6
261.16290	7.1
263.17868	5.3
265.19547	4.3
269.18961	8.5
271.20505	2.5
273.16055	2.9
273.18695	4.0
274.16754	2.6
275.17819	3.5
277.19479	4.1
281.18976	6.2
283.20508	5.4
285.18506	6.1
287.20215	3.5
289.19647	2.5
295.20575	4.1
299.20212	4.6
303.21191	2.2
307.20438	2.9
311.19968	3.2
317.22372	2.4
331.23999	2.5
333.22009	2.8
349.24985	3.7
361.25482	2.6
367.26270	3.1
377.06772	2.4
499.98380	1.9
551.20325	1.9
565.39948	4.2
583.41443	11.5
601.42810	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01860	2.1
55.05503	6.2
57.07060	7.9
58.92658	1.1
59.04974	2.5
65.03931	1.3
66.27502	1.0
67.05496	10.8
68.05818	1.0
69.03417	7.3
69.07062	8.3
70.98024	3.0
71.04960	1.7
76.09293	0.9
77.03919	0.9
78.79977	0.9
79.05483	13.1
81.03386	1.6
81.07050	19.9
83.04977	5.0
83.08601	4.0
85.06519	4.3
87.04424	1.3
89.06039	1.8
91.05466	20.2
93.07032	34.8
94.07346	1.5
95.04960	9.0
95.08595	17.4
96.08920	1.2
97.06516	4.1
97.10138	1.7
103.05455	2.3
105.07018	33.3
106.07336	2.3
107.04942	1.0
107.08580	22.6
109.06501	8.8
109.10143	12.7
110.10523	1.5
111.08073	2.4
113.09655	1.8
115.05412	2.5
117.07014	9.3
119.04906	1.3
119.08566	37.5
120.08913	1.2
121.06525	5.3
121.10135	21.2
122.10411	1.4
123.08073	14.4
123.11681	2.9
124.08392	1.4
125.05992	3.5
125.09596	2.3
128.06197	4.2
129.07007	5.0
130.07759	3.3
131.08557	15.1
131.09468	1.8
132.08873	1.2
133.06488	2.0
133.08560	1.3
133.10114	21.5
134.10486	1.1
135.08066	10.2
135.11681	6.4
137.05916	1.7
137.09613	10.1
139.11153	2.0
141.06970	2.6
142.07762	8.1
143.08553	14.9
144.09390	4.9
144.51546	1.0
145.06493	2.0
145.10098	25.8
146.10539	2.2
147.08020	20.1
147.11653	7.7
148.08362	1.2
149.09621	5.1
149.13211	1.3
151.07553	9.6
153.07039	1.3
154.07710	1.1
155.08551	6.0
155.10629	2.5
156.09283	4.5
157.10127	20.7
158.10818	4.3
159.08040	3.0
159.11676	17.4
160.08817	3.2
160.12268	1.7
161.09621	6.6
161.13235	4.0
163.11145	7.4
164.11569	1.4
165.06981	1.4
165.09103	36.4
166.07745	1.3
166.09422	2.2
167.08562	2.4
167.10651	1.1
168.09326	2.9
169.10126	7.0
170.10803	3.9
171.08041	1.1
171.11685	11.9
172.12152	1.8
173.09610	2.9
173.13228	6.6
175.11182	4.7
175.14804	3.9
176.11577	1.3
179.08519	2.8
179.10660	2.3
180.09395	1.6
181.10080	4.5
181.12219	8.0
182.10863	3.3
183.11655	10.2
184.12135	2.0
185.13194	8.4
186.13763	1.4
187.11189	1.9
187.14761	4.8
189.12706	4.9
190.13452	1.8
191.10632	1.6
191.14265	2.2
192.09337	1.1
193.10020	3.1
193.12164	1.5
194.10889	1.6
195.11693	6.7
195.13319	1.2
196.12325	2.8
197.13210	8.5
198.13788	1.9
199.11227	1.9
199.14822	3.6
201.12709	2.3
201.16364	1.4
203.14291	13.1
204.14723	1.1
205.15804	1.9
207.11674	5.2
207.13812	5.2
208.12257	1.8
208.14349	1.6
209.09618	1.2
209.13217	7.6
209.15254	2.6
210.13896	1.5
211.11201	1.1
211.14775	5.0
212.15215	1.7
213.12808	1.7
213.16373	2.2
215.14305	2.3
219.11725	1.7
219.13763	2.2
221.13373	4.0
221.15334	100.0
222.13786	1.9
222.15718	6.7
223.14792	4.0
225.12825	1.2
225.16344	3.6
227.14311	1.6
229.15877	1.3
233.13211	2.0
233.15302	1.5
234.14044	1.3
234.16145	4.1
235.14725	1.7
235.16776	2.6
237.16298	2.7
239.17960	1.6
241.15802	1.6
245.13130	1.4
247.16910	3.8
248.17464	1.3
249.16255	2.4
255.17331	1.3
259.14838	1.3
265.19388	1.9
269.18887	1.6
271.16995	1.9
272.17282	1.1
273.18570	1.4
274.19376	2.0
275.19980	1.6
277.19302	1.4
281.19196	1.3
286.19431	2.2
287.20178	5.2
288.20520	1.4
293.19269	1.1
295.20325	1.3
297.18488	1.3
299.20071	5.1
300.20667	3.8
301.21536	2.7
311.20013	1.3
312.20743	1.7
313.21414	3.1
317.22601	1.4
325.21561	1.5
326.21991	1.6
337.21582	1.7
338.22177	1.2
339.23209	1.3
340.23706	1.4
341.24564	1.6
352.23895	4.1
353.24222	5.5
365.24518	2.5
366.25369	1.2
367.26266	3.9
375.26669	1.4
378.25580	1.5
393.27524	2.1
420.29880	1.5
426.27032	1.6
428.28564	1.3
429.29105	1.1
440.28989	4.4
441.29700	8.7
455.30997	2.0
482.34088	1.2
491.35284	8.2
509.35959	4.4
520.35132	1.2
521.35736	15.9
565.40802	1.3
583.41254	9.8
601.42310	35.1
601.55457	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	601.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05495	18.8
57.03420	8.9
57.07059	5.7
65.03929	3.4
67.05489	26.4
69.03420	6.8
69.07055	27.0
71.04981	36.0
73.02897	3.5
75.04478	3.7
78.31341	2.0
79.05489	16.1
81.03416	3.6
81.06589	4.5
81.07041	62.9
83.04958	19.1
83.08591	12.0
85.02894	48.8
85.06518	2.7
87.18767	2.1
91.05441	16.4
93.07023	49.3
95.04932	11.1
95.08585	70.2
97.06538	12.3
97.10141	5.1
98.21420	5.9
99.04446	3.0
99.08073	3.0
105.07010	38.0
107.08569	62.1
109.06516	8.6
109.10133	61.2
109.29959	2.0
111.04429	14.9
111.08089	10.8
117.07008	5.5
119.08561	54.2
121.06464	7.5
121.10125	49.9
122.58659	2.4
123.08058	4.8
123.11684	76.7
125.05974	2.3
125.09553	3.0
129.05437	18.7
129.06992	3.3
131.08540	19.1
133.10110	51.6
134.73813	2.3
135.08038	7.7
135.11667	55.2
137.09576	6.1
137.13264	10.2
139.07498	14.5
139.11160	2.8
143.08478	7.4
144.09314	3.0
145.10092	29.7
147.06477	3.0
147.08015	3.4
147.11656	31.2
149.09587	5.3
149.13226	19.5
149.37816	2.1
151.07500	2.8
153.09087	2.7
155.08513	4.1
157.08801	2.7
157.10092	13.1
159.08057	6.5
159.11665	29.6
161.09608	8.6
161.13243	21.8
163.11072	4.2
163.14809	9.5
165.09094	4.6
169.10109	6.4
171.11671	14.3
173.09575	6.0
173.13223	16.8
175.11203	3.1
175.14748	12.7
177.09146	3.3
177.16409	6.5
179.10582	3.4
183.10243	2.6
183.11720	7.2
185.09666	3.1
185.13210	14.0
187.14767	19.4
189.12689	3.0
189.16373	17.4
191.10678	7.4
191.14310	2.6
191.17918	13.7
195.11678	3.3
196.58911	2.2
197.13338	4.3
199.14821	9.0
201.11183	14.3
201.12741	5.0
201.16318	11.9
203.14395	3.4
203.17888	14.7
207.17297	3.7
209.13162	3.5
211.14752	4.0
213.12868	4.1
213.16306	6.9
215.14294	3.1
215.17825	4.7
217.19504	3.0
219.13795	3.7
227.17828	3.0
229.15723	2.5
233.15373	2.5
239.17992	3.7
241.15929	2.6
245.15315	2.8
247.16795	17.1
255.20836	5.4
259.17010	2.3
285.18396	2.9
294.99286	2.3
315.23178	6.9
369.27859	3.0
383.29373	4.8
391.33368	2.7
400.68674	2.7
401.30453	2.9
409.34451	4.0
413.30246	3.5
419.33066	4.5
427.31873	3.4
437.34161	24.4
441.29840	15.1
453.33478	7.1
455.35156	100.0
465.33502	3.8
467.35214	30.1
479.35110	13.6
481.36731	7.8
485.36508	14.1
491.35190	5.5
493.36700	3.2
497.36823	14.5
509.36029	9.5
519.38507	3.5
521.36096	8.8
523.37695	6.8
527.36908	3.2
529.36115	2.9
537.39294	6.2
539.37396	5.9
547.37738	28.0
565.38763	49.0
566.39124	3.4
583.39673	21.5
601.40851	35.7
626.26929	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	601.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05501	12.9
55.74944	0.8
57.07057	6.3
65.03921	1.5
67.05168	1.4
67.05495	13.2
69.07053	15.6
71.08608	2.4
79.05473	10.7
81.03394	1.0
81.07043	30.8
83.08607	16.7
85.10188	1.3
89.06021	0.9
91.05460	20.9
93.07033	31.5
95.04945	3.0
95.08592	51.2
97.06513	1.2
97.10148	5.5
103.05473	1.3
105.07009	45.0
107.04942	2.8
107.08577	55.5
109.06507	2.1
109.10138	46.2
111.11690	1.0
115.05459	1.0
117.06990	6.9
119.04922	8.6
119.08565	57.5
120.08902	0.8
121.06507	2.2
121.10126	52.2
123.11684	20.7
125.05997	1.2
128.06186	1.8
129.06949	4.7
131.08553	19.3
133.06456	5.1
133.10106	52.1
135.08089	1.8
135.11676	47.0
137.13239	6.2
141.07097	0.9
143.08553	7.7
144.09389	1.0
145.06447	1.8
145.10106	22.2
145.11212	1.9
147.04385	37.6
147.08038	1.8
147.11670	36.4
147.12852	1.9
149.09703	1.4
149.13235	29.8
149.14433	1.6
151.07541	2.7
151.14838	3.0
153.09096	1.5
155.08578	1.2
156.09370	1.8
157.10098	9.1
159.11679	19.5
160.12442	1.1
161.06067	0.9
161.09575	1.0
161.13242	24.7
161.14529	1.9
163.07487	1.6
163.11099	1.3
163.14801	18.7
165.05464	1.9
165.09114	2.1
165.16365	1.3
167.10649	1.9
169.10164	4.0
170.10823	1.0
171.11668	10.6
173.09605	6.5
173.13231	14.2
175.14801	23.5
177.16357	57.4
179.10721	1.4
179.17970	1.0
181.10114	1.2
181.12215	1.0
183.11690	2.5
185.13220	9.9
186.14015	1.2
187.14787	22.2
189.16364	36.9
191.17918	25.8
193.15883	2.3
195.11736	1.5
197.13223	3.5
199.11121	1.6
199.14772	11.3
201.13252	0.9
201.16362	33.8
203.17926	100.0
205.12221	2.9
205.19493	6.5
207.13890	1.3
209.13301	1.3
211.14870	2.0
213.16341	12.3
215.17915	16.1
217.19489	11.5
219.13794	2.9
221.15303	2.1
223.14665	1.0
225.16325	3.5
227.17870	8.0
229.19470	8.1
231.21046	1.3
233.15363	4.5
239.17946	4.9
241.19511	5.7
243.21001	1.9
245.15178	1.6
247.16878	2.9
249.18584	1.1
253.19510	3.8
255.21101	5.7
259.16977	8.2
261.18521	2.2
265.19464	1.0
267.21024	2.3
269.22534	3.7
271.17004	2.6
273.18417	4.7
281.22699	5.5
285.18503	2.9
287.20044	2.4
295.23920	1.1
299.19907	5.0
301.21713	1.2
313.21649	1.7
325.21701	1.1
327.23038	5.7
333.11539	1.0
341.24835	2.2
367.26337	3.5
381.27945	1.9
391.33575	16.0
419.33292	1.1
437.34091	76.7
438.34637	2.1
555.38171	2.7
601.37048	18.7
614.48779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01840	2.8
55.05502	12.8
57.03405	6.5
57.07052	7.1
62.43572	2.5
63.02094	2.1
65.03928	2.8
67.05492	26.5
69.03429	4.7
69.07052	23.9
71.04981	29.3
71.55117	2.3
71.55415	3.1
75.04461	2.8
78.09504	2.7
79.05478	21.0
81.07040	59.1
83.04967	16.8
83.08587	9.8
85.02888	52.6
85.06497	4.0
91.05457	21.4
93.07027	42.1
95.04934	13.7
95.08594	68.0
95.39535	2.2
97.02882	3.4
97.06496	9.6
97.10117	5.0
99.08071	3.0
105.07008	35.1
107.08578	67.8
109.06495	9.7
109.10135	52.7
111.04432	17.4
111.08054	7.7
115.05453	2.6
117.06999	7.0
119.08555	51.5
121.06458	5.8
121.10122	57.6
123.08014	5.5
123.11684	73.9
125.05987	5.4
127.07590	3.0
129.05440	13.9
129.06952	3.1
131.08531	15.8
133.10112	47.1
135.08020	6.2
135.11668	55.3
137.06001	3.5
137.09596	5.6
137.13200	11.8
139.07472	12.0
139.11185	2.5
142.87167	2.5
143.08533	7.5
144.09229	2.5
145.10110	30.2
147.08000	4.6
147.11638	26.4
149.09584	7.6
149.13206	19.3
155.08516	2.5
157.08809	3.4
157.10091	12.5
159.08003	3.5
159.11673	32.5
161.09644	6.2
161.13223	19.4
163.07454	2.8
163.11226	4.4
163.14719	12.3
165.09053	6.7
169.10130	3.9
171.11655	11.2
173.09608	6.1
173.13206	17.8
175.11191	2.9
175.14774	11.9
177.09100	3.9
177.12807	3.0
177.16301	4.5
179.10716	4.3
181.10101	3.9
183.10181	3.2
183.11665	6.0
185.13248	10.2
187.14806	20.1
189.16354	16.7
191.10643	6.4
191.17880	18.3
197.13228	6.3
199.14795	9.6
201.11110	14.3
201.12810	2.9
201.16354	12.2
203.14171	2.9
203.17946	13.8
209.13176	4.4
211.14720	4.5
213.16353	6.3
215.14336	4.2
215.17932	5.1
217.19543	6.2
219.13750	4.0
221.18823	3.0
225.16287	2.5
227.14296	2.8
227.17970	3.4
229.15910	2.9
230.20683	2.6
231.13707	2.9
233.15274	2.7
241.19267	2.7
245.15387	2.8
247.16901	12.4
255.21014	3.6
259.16907	3.4
271.17062	2.9
295.20557	2.6
298.82346	2.6
313.21399	4.1
315.23135	7.2
345.16461	2.9
369.27951	3.5
383.29410	3.3
401.30658	4.4
409.34991	3.5
413.30734	2.6
419.32785	2.7
427.31976	3.4
437.33963	16.9
441.29871	15.7
453.33350	7.3
455.35175	100.0
456.35498	4.6
465.33884	2.8
467.35229	32.9
469.36581	2.9
479.35089	13.1
481.36633	7.9
485.35947	9.9
491.34827	3.3
497.36438	11.9
503.35034	3.6
509.35876	10.6
521.36609	3.0
523.37665	2.9
529.36987	3.2
539.37195	5.8
547.37543	25.7
565.38708	45.2
583.39996	22.3
601.31671	3.4
601.40997	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	601.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.8
55.01855	1.5
55.05496	13.4
57.07061	5.6
62.09536	1.2
65.03920	3.3
65.38445	1.3
66.23877	1.2
67.05491	19.6
69.07058	19.6
70.29762	1.2
70.77966	1.1
70.91824	1.2
71.04955	1.3
71.08616	2.1
71.23360	1.3
71.79037	1.2
71.79420	2.0
77.03924	1.6
77.40324	1.4
79.05476	15.2
81.03377	1.9
81.06590	2.7
81.07046	37.8
83.04973	2.5
83.08604	20.5
87.04444	3.6
89.06022	8.8
91.05460	27.7
93.07032	39.5
95.04971	4.2
95.08590	58.2
97.06508	2.4
97.10155	5.2
103.05397	1.2
105.07014	55.6
106.07350	1.6
107.04921	3.4
107.08575	66.3
109.06538	4.6
109.10141	57.9
111.11668	2.2
117.07001	7.2
119.04927	22.4
119.08561	69.5
121.06483	3.6
121.10122	65.9
123.08050	3.8
123.11687	24.0
125.09641	2.3
128.06178	2.0
129.06998	4.6
130.07762	1.6
131.08546	24.1
133.06512	6.6
133.08650	6.6
133.10110	57.1
135.08105	1.7
135.11674	63.9
137.09610	2.6
137.13231	7.2
139.07524	1.6
142.07796	2.4
143.08585	8.1
144.09329	1.7
145.06450	2.4
145.10106	31.1
147.04387	62.9
147.08076	2.8
147.11667	38.7
147.12856	2.5
149.13237	42.3
151.14795	3.2
153.09175	1.4
155.08583	2.8
156.09346	1.8
157.10103	14.9
158.10776	1.7
159.08061	1.7
159.11676	22.5
161.09645	2.5
161.13226	24.9
163.11186	1.8
163.14775	20.9
165.09100	4.7
167.10693	3.6
169.10078	6.9
171.11668	12.3
173.09616	15.9
173.13239	17.7
174.13802	1.4
175.11009	1.4
175.14810	27.5
177.05450	3.9
177.16357	66.7
179.10568	1.5
179.17859	1.5
181.10112	2.8
181.12132	1.9
182.10947	1.8
183.11682	5.8
185.13263	12.3
187.11108	1.5
187.14774	31.2
189.12752	2.0
189.16362	41.3
191.10664	1.5
191.17900	23.6
193.15846	1.6
195.11655	2.8
197.13251	5.2
199.11107	2.5
199.14764	12.0
201.16360	39.5
203.17921	100.0
205.19482	8.2
207.11768	1.9
207.13741	1.6
209.13306	1.7
211.14832	4.9
213.16328	15.3
213.37445	1.5
215.14223	1.8
215.17912	18.5
217.12376	2.2
217.19475	12.0
219.13783	2.3
219.17326	1.6
221.15430	3.6
225.16351	3.9
227.17883	7.1
229.19456	9.4
231.21080	1.6
233.15305	6.2
235.16968	2.0
239.17865	4.3
241.19449	7.5
243.21191	2.6
245.15332	4.7
247.16966	3.3
253.19481	5.1
255.21078	7.0
259.16888	12.0
265.19537	1.6
267.21176	2.3
269.22729	3.6
271.17142	1.5
273.18448	5.9
281.22583	6.0
285.18640	2.2
287.20132	2.3
299.20041	5.1
313.21848	1.9
327.23267	4.4
328.20456	1.6
341.24561	2.5
367.26276	3.2
379.88876	1.5
391.33496	19.9
415.25418	3.1
416.25623	2.8
419.33090	2.2
437.34091	96.1
494.47055	1.4
555.38062	5.7
583.40350	1.8
601.41064	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	601.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49045	0.2
53.03904	0.3
55.01835	0.2
55.05477	0.4
61.02185	0.2
61.02896	0.3
65.03907	0.6
67.05482	1.6
68.05004	0.4
69.03379	0.7
69.07055	4.0
70.06534	0.4
71.04958	0.4
71.79839	0.4
77.03872	0.4
79.05438	0.9
79.05853	0.2
80.04995	0.3
81.03354	0.5
81.06999	1.0
85.02903	1.3
86.09687	0.3
91.05445	1.7
91.70578	0.2
93.05736	0.4
93.07028	1.5
94.06552	4.4
95.04935	1.2
95.08549	0.9
95.53568	0.2
96.04436	0.5
97.02834	0.2
97.06447	0.6
99.04361	0.3
104.04935	0.4
105.06973	0.9
106.06524	2.1
107.04906	0.4
107.08561	2.4
108.08095	1.9
109.02843	0.4
109.06495	1.1
109.10134	1.4
110.06010	0.3
111.04393	0.3
112.07528	1.0
114.09109	0.7
118.06501	0.6
119.08511	0.8
120.04402	0.7
120.08058	1.3
121.05183	0.3
121.06450	1.0
121.10126	1.2
122.06002	12.7
123.04400	0.7
123.08018	0.3
123.11629	0.7
124.07545	0.5
131.08521	0.4
132.08005	0.7
133.10068	0.9
134.06001	1.5
135.11646	0.6
136.07552	14.8
137.05931	0.4
137.09596	0.3
138.05432	0.4
140.07031	21.2
142.08560	0.4
143.08479	0.3
144.04387	0.3
144.08063	0.6
145.04968	0.3
145.10103	0.6
146.05972	16.3
146.09613	1.7
147.06699	0.8
147.11598	0.6
148.07542	19.4
149.08405	0.5
149.09550	2.0
149.13159	0.3
150.09081	1.0
152.07042	2.9
154.04906	0.5
157.10027	0.3
158.05901	0.6
159.11597	0.3
160.03857	0.3
160.07532	0.4
161.13152	0.4
162.05368	0.7
164.07040	9.3
166.08611	2.7
167.07173	0.4
172.03885	2.2
173.04712	1.3
173.09517	0.3
173.13197	0.4
174.05470	9.2
174.09044	1.9
176.07031	18.0
182.09598	0.4
186.09033	0.2
187.14742	0.5
188.07127	0.3
190.04959	5.9
191.05716	1.4
191.14226	0.6
191.17876	0.5
192.06497	2.2
195.91701	0.3
197.10645	0.7
199.12236	0.3
200.06895	0.3
208.11366	0.4
209.10696	1.5
209.15213	0.3
210.11353	1.3
211.08578	0.7
211.12283	1.7
212.09180	0.3
212.10939	0.3
213.10158	0.5
213.16394	0.3
216.10107	0.9
218.08000	1.8
220.09738	0.5
221.10754	1.6
222.11418	0.9
223.08482	0.4
223.12244	2.4
224.09300	2.1
224.13033	0.8
225.10193	4.3
225.13762	0.8
226.10876	0.7
227.11699	1.9
229.13292	1.0
231.09724	0.3
234.11497	0.5
235.08571	1.5
235.12215	3.2
236.09370	0.9
236.10727	0.3
236.12874	1.7
237.10139	10.4
237.13673	2.2
238.10945	14.8
239.11732	9.1
239.14059	0.2
240.09999	0.3
240.12215	0.4
241.09650	0.9
241.13367	0.3
242.11638	0.3
243.11145	0.8
244.09624	0.6
246.07625	0.8
247.12231	0.4
248.09354	1.6
248.12943	0.3
249.10170	4.9
250.10905	4.3
251.11755	12.9
252.08870	1.1
252.12459	2.0
253.09666	0.5
253.13309	2.9
255.11273	1.4
257.12820	0.4
261.10031	0.7
261.12299	3.4
262.10986	1.1
263.08817	0.5
263.11731	11.9
264.08813	2.9
264.12448	2.9
264.15405	0.4
265.09744	4.8
265.13293	30.3
266.10785	1.7
266.13837	2.1
267.11206	5.0
268.11926	0.6
269.12756	1.6
270.13480	0.3
271.11328	0.4
271.14362	11.5
273.12436	0.3
275.11722	1.6
276.12561	0.4
277.09662	3.6
277.13226	2.7
278.10385	4.4
279.11212	100.0
280.11902	7.6
281.09518	0.5
281.12708	3.2
282.10327	0.4
282.13580	1.0
283.10693	4.3
283.14297	1.0
284.11435	1.4
285.12244	3.2
287.13843	11.2
289.15427	0.7
291.11212	4.5
292.11975	2.0
293.12778	7.8
294.10605	0.4
294.13571	2.0
295.10684	3.1
295.14371	2.2
296.11496	6.2
297.12274	66.6
298.13016	7.3
299.13818	1.4
300.12744	0.3
303.11075	0.4
307.10718	0.5
309.12268	39.4
310.13052	21.5
311.10382	0.5
311.13773	3.7
313.11768	9.1
315.13324	1.3
315.26727	0.4
319.10730	3.7
320.11444	0.7
321.12274	10.8
322.12906	1.1
323.10135	2.6
323.13828	0.7
324.10974	4.0
325.11725	7.4
326.12460	0.9
330.12326	0.6
331.12830	6.2
337.11755	54.5
338.08231	0.6
338.12512	25.8
339.13321	64.3
340.14035	3.9
341.14978	0.5
344.14081	0.3
345.14642	0.4
349.13843	0.5
354.16101	0.4
358.15460	0.4
360.16974	0.9
367.13031	0.4
369.14578	0.4
370.13007	0.9
372.17142	0.8
374.18774	0.4
384.12952	0.3
385.14139	0.5
386.14935	0.5
387.15521	0.6
388.16293	0.4
392.19653	0.7
396.17337	0.3
400.16455	4.0
401.17249	0.9
402.18063	1.0
414.18076	1.1
416.19733	0.5
418.17551	1.9
419.18390	0.5
420.19208	0.7
424.16156	1.3
432.19119	1.1
434.20444	1.2
437.19592	1.2
438.20203	5.5
442.17523	6.0
443.18130	0.7
448.18542	0.8
450.20160	2.6
455.35501	0.3
460.18576	76.3
461.19162	4.9
462.20074	1.0
464.18140	2.6
465.18903	1.4
466.19659	2.8
478.19659	51.5
479.20355	4.5
480.21216	10.2
557.27814	0.3
559.25403	0.6
583.25555	3.4
601.26459	33.1
601.40326	2.0
602.26648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
55.05495	5.2
57.07067	13.0
59.04976	3.4
67.05492	15.0
69.03416	9.1
69.07051	6.6
69.17905	1.7
71.40540	3.5
71.88622	1.5
79.05486	12.7
80.06229	2.1
81.07052	24.3
83.04964	7.3
83.08609	3.5
85.06535	6.4
89.06026	4.1
91.05474	29.0
93.07041	35.3
94.07850	2.6
95.04416	2.7
95.04928	10.5
95.08601	18.6
97.06512	4.4
105.07025	46.8
107.08586	27.1
109.06513	11.3
109.10168	9.0
115.05435	4.8
117.06995	12.8
119.08568	57.4
120.09347	2.7
121.06464	9.2
121.10136	24.7
123.08051	21.2
123.11597	2.0
125.05999	9.3
128.06194	5.2
129.06990	13.4
130.07779	4.4
131.08546	28.4
132.09286	5.4
133.06482	4.1
133.08585	3.6
133.10126	22.2
134.10873	2.6
135.08040	22.0
135.11661	9.3
136.08763	2.1
137.09613	17.6
139.07516	3.2
141.06966	5.9
142.07771	11.4
143.08556	27.1
144.09265	5.0
145.10112	45.6
146.07304	2.2
146.10878	2.5
147.08026	33.4
147.11647	9.3
148.08441	1.7
149.09587	15.6
151.07513	11.5
155.08467	9.0
156.09311	10.6
157.10123	38.7
158.10846	6.2
159.08063	6.2
159.11667	27.4
160.08789	4.9
160.12448	1.6
161.09621	11.8
161.13246	6.7
162.10509	1.9
163.11157	22.1
165.06981	2.5
165.09088	49.6
165.11267	2.5
166.09464	2.9
167.08534	5.1
168.09308	2.9
169.10132	16.7
170.10892	6.8
171.07994	2.1
171.11665	21.7
172.12453	3.6
173.09645	7.2
173.13251	9.1
174.10301	1.8
175.11174	19.4
175.14841	3.1
176.12027	2.9
177.09140	3.7
177.12703	2.5
178.09920	2.4
179.08585	3.3
179.10590	1.8
180.09622	1.9
180.11432	4.9
181.10156	6.8
181.12202	17.8
182.10867	6.4
183.11676	18.2
184.12445	5.6
185.09598	4.2
185.13226	10.8
186.13960	2.4
187.11145	7.6
187.14775	3.1
189.12738	9.0
190.13474	7.5
191.10605	4.2
191.14316	2.9
193.10152	5.8
193.12219	15.3
194.10780	3.1
195.11674	11.4
195.13531	2.8
196.12384	4.9
197.13240	16.1
198.10268	2.0
198.13849	2.0
199.11162	7.5
199.14816	4.5
201.12730	8.0
203.14299	22.4
206.10808	2.1
207.11670	7.4
207.13751	11.2
208.12631	2.5
208.14513	9.4
209.13214	10.9
209.15125	3.5
210.10373	3.1
210.13925	2.1
211.11226	2.8
211.14778	9.3
212.15401	3.5
213.12733	5.0
213.16353	4.6
214.13356	1.7
215.14264	4.8
219.11890	1.9
219.13803	7.3
221.13324	4.0
221.15326	100.0
222.15819	8.2
223.11246	3.1
223.14790	4.8
225.12769	2.5
225.16318	4.4
225.64542	2.0
227.14307	3.3
229.15846	3.9
233.13286	3.7
233.15352	3.5
234.16109	20.2
235.14703	3.7
235.16951	2.1
237.12793	3.8
237.16493	1.9
239.14214	3.4
241.15814	3.3
245.15422	3.5
247.14630	3.1
247.16920	27.4
248.17752	1.9
249.16417	3.7
250.16656	2.1
251.14287	1.9
251.17966	2.6
253.15871	4.6
259.17029	4.3
261.18506	4.7
263.18048	2.6
265.15570	2.2
267.17307	2.4
269.15329	2.9
271.16995	2.3
273.18469	3.7
274.19232	14.6
281.19028	3.1
286.19232	4.8
287.20084	10.9
297.18411	3.6
299.20114	17.2
300.20651	4.0
310.19193	2.2
311.20050	4.1
312.20752	8.2
313.21558	6.5
325.21552	16.4
326.22180	2.3
337.21548	7.8
339.23050	5.8
340.23907	11.9
351.23129	2.7
352.23904	50.5
365.24847	10.8
366.25073	3.5
367.25977	1.8
377.24521	3.1
379.26041	3.8
387.25293	4.8
391.25919	2.1
392.26791	3.7
413.26779	5.4
419.29337	7.1
420.30298	5.2
425.26697	5.6
426.27527	4.3
427.28348	11.3
440.29214	35.2
441.29013	1.9
454.30481	3.0
502.34451	2.5
505.32779	3.6
507.34433	5.3
508.35196	7.5
520.35425	65.9
521.35590	3.4
585.39471	4.4
600.41382	37.5
601.41785	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.0
53.17906	4.3
55.05488	13.9
57.07054	11.7
59.04993	8.6
65.00813	4.5
67.05505	24.0
69.03422	14.4
69.07047	14.4
69.73350	37.5
79.05480	24.3
81.03401	4.9
81.07059	36.7
83.04968	5.9
83.08615	8.7
85.06530	5.8
86.41508	4.9
87.02528	4.3
87.04447	7.2
89.06006	21.0
91.05468	31.0
93.07035	40.9
95.04937	13.1
95.08612	35.8
97.06507	9.0
98.06147	4.4
105.07016	56.6
106.07782	7.6
107.08585	36.2
109.06517	12.8
109.10129	16.6
117.06995	10.3
118.97204	4.5
119.08556	70.8
121.06463	8.3
121.10139	34.6
123.08051	27.9
125.05973	11.5
128.06207	9.7
129.06972	12.9
130.07748	7.6
131.08559	32.5
132.09387	4.8
133.06499	7.9
133.08580	11.5
133.10129	42.6
135.08072	25.6
135.11673	12.0
137.09576	22.4
141.06950	5.9
142.07742	13.8
143.08566	24.3
144.09273	9.3
145.06537	6.4
145.10109	62.4
147.08018	35.0
147.11656	13.8
149.09599	14.5
151.07477	8.6
155.08568	12.8
156.09344	13.8
157.10121	42.9
158.10901	8.4
159.08052	8.7
159.11690	36.6
160.08800	5.9
161.09595	9.0
161.13179	11.9
163.11180	22.4
164.16711	4.6
165.09097	41.3
167.08510	5.0
169.10123	23.3
170.10941	6.2
171.11652	21.8
173.09653	7.6
173.13268	8.9
175.11153	18.6
175.14931	7.2
177.11287	5.2
179.08461	6.3
181.10014	9.9
181.12248	18.0
183.11697	15.4
185.09602	7.5
185.13161	10.7
187.11090	8.4
189.12740	11.8
190.13565	7.4
193.10300	5.9
193.12221	18.0
195.11697	12.7
197.13142	8.4
199.11084	7.6
201.12794	7.4
203.14320	23.1
207.11771	6.7
207.13751	11.8
208.14536	7.6
209.13202	12.8
209.15193	9.5
211.11230	6.6
211.14793	11.3
219.13788	11.0
221.13289	9.6
221.15306	100.0
222.15703	6.5
223.14835	6.8
225.12755	7.7
227.14395	6.9
233.13184	6.3
233.15314	5.5
234.16106	21.4
247.16953	21.7
248.17751	4.8
259.16910	7.2
271.16849	7.2
274.19260	14.5
279.20499	5.0
285.18329	5.4
287.19934	13.7
299.20093	14.0
311.20148	5.5
312.20676	12.7
313.21469	6.5
325.21512	20.1
327.23657	6.3
340.23941	18.5
352.23978	34.9
365.24789	10.5
379.26215	6.5
387.25183	9.4
391.26257	5.3
413.26489	5.6
419.29343	5.8
425.27164	6.2
427.28195	19.4
440.29080	40.9
520.35492	48.6
521.86115	4.8
547.39703	5.7
582.40503	6.1
600.41870	30.4
607.41858	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05498	11.9
57.03434	2.1
57.07059	10.2
57.38025	2.1
59.04984	5.2
65.03924	3.8
67.05495	19.5
69.03424	16.4
69.07053	16.0
69.58441	5.7
69.58848	15.8
71.04966	3.5
71.08622	2.4
72.73308	2.1
73.34982	1.9
75.31844	2.0
75.53590	2.0
76.36639	1.8
79.05482	29.6
81.07040	41.2
83.04951	19.5
83.08592	8.4
85.06520	8.7
87.04433	2.6
89.06031	3.4
91.05469	44.1
93.07027	61.3
94.07312	3.1
95.04961	22.7
95.08586	35.4
97.06516	11.8
105.07014	85.6
106.07840	3.0
107.04967	4.2
107.08576	53.3
109.06503	22.6
109.10152	18.1
111.08080	5.3
115.05429	7.9
116.06264	2.8
117.06997	23.9
119.08558	78.9
120.09361	2.4
121.06497	15.3
121.09260	2.5
121.10120	48.6
123.08056	29.1
123.11636	4.4
125.05967	11.2
125.09584	7.3
128.06221	13.0
129.06982	25.0
130.07756	9.8
131.08542	37.4
133.06461	7.8
133.10110	41.2
135.08035	21.5
135.11662	10.5
136.08740	2.7
137.05914	3.5
137.09604	17.1
139.07500	7.4
139.11124	2.7
141.06996	8.5
142.07759	31.0
143.08534	44.6
144.09311	13.8
145.06468	6.1
145.08951	3.7
145.10101	70.9
146.10875	3.0
147.08025	36.8
147.11649	17.4
148.08832	4.5
149.09604	20.8
149.13210	2.5
151.07523	19.9
151.11166	3.4
153.06979	4.1
153.09084	3.7
154.07721	4.7
155.08534	20.0
156.09337	21.8
157.10100	78.0
158.10947	10.8
159.08075	18.8
159.10295	4.0
159.11649	37.4
160.08826	3.5
161.09590	24.3
161.13213	6.3
162.10382	3.1
163.11159	20.2
165.06915	5.6
165.09096	45.6
166.07806	2.5
167.08528	9.6
167.10608	15.1
168.09334	7.6
169.10101	27.5
170.10835	10.9
171.08063	5.1
171.11674	38.4
172.08772	3.1
172.12469	6.0
173.09608	12.7
173.13234	19.2
174.10359	4.3
175.11172	29.1
175.14812	6.9
176.11938	6.9
177.09055	4.1
177.12616	3.9
179.08527	8.2
179.10684	6.8
180.09276	5.5
180.11494	3.1
181.10098	18.1
181.12178	16.6
182.10916	8.5
183.11652	22.9
184.12430	8.3
185.09547	5.2
185.13217	22.1
186.10345	3.4
186.13901	2.4
187.11198	14.0
187.14804	5.8
189.12729	17.1
190.13466	11.4
191.10704	3.5
191.14314	5.1
192.09254	4.8
193.10254	13.1
193.11966	12.0
194.10844	10.5
194.12959	4.9
195.11703	25.2
195.13562	4.9
196.12347	7.3
197.09680	4.2
197.11694	3.9
197.13257	25.9
198.10330	2.4
198.13972	3.7
199.11154	10.1
199.14775	8.9
201.12718	9.7
201.16328	2.7
203.14294	25.8
205.10185	4.5
206.10860	7.3
207.11668	17.0
207.13748	19.6
208.12439	7.9
208.14537	8.0
209.09653	2.4
209.13223	23.8
209.15263	6.2
210.10461	3.1
210.14049	5.9
211.11156	7.1
211.14745	12.8
213.12766	11.9
213.16287	4.8
215.10760	3.1
215.14252	7.2
217.12263	3.5
217.16090	2.3
218.10854	3.2
218.16699	2.6
219.11671	6.1
219.13757	5.9
220.12451	6.9
221.13237	12.6
221.15288	100.0
222.15782	5.1
223.11137	3.7
223.14819	13.5
224.15640	2.9
225.12717	9.3
225.16345	10.0
226.13489	3.0
227.14301	5.5
229.12276	2.6
229.15919	3.1
230.12943	2.7
231.11673	5.7
231.13733	2.8
232.12379	3.1
233.13158	9.1
233.15331	23.3
234.13974	3.7
234.16083	15.5
235.14740	8.0
235.16814	5.3
237.12613	4.4
237.14671	40.1
239.14172	5.8
239.17926	2.7
241.15901	6.7
243.13812	2.4
244.12364	2.7
245.13269	3.3
246.14029	4.8
247.14709	6.6
247.16911	11.8
248.13750	11.5
249.16350	7.9
251.14249	4.6
251.18062	4.9
253.15810	10.1
255.17395	15.7
257.13034	3.0
259.14597	4.4
259.16980	5.1
261.16299	7.1
262.16971	2.7
263.14172	3.1
263.17996	5.5
265.19586	3.1
267.17239	3.1
268.18085	4.0
269.19043	4.0
270.19922	3.9
271.16843	9.3
273.16040	3.2
273.18616	6.1
274.19284	10.2
277.15842	3.8
277.19287	5.9
279.17331	4.6
281.18994	9.4
283.20328	2.5
285.18430	6.3
286.19302	18.6
287.20013	9.2
293.19119	4.0
294.19766	9.4
295.20599	2.8
297.18631	6.0
298.19214	2.7
299.20169	14.2
303.19498	40.2
307.20450	3.1
309.18375	3.2
311.20062	9.3
312.20737	9.9
313.21588	14.7
325.21600	40.5
337.21518	6.0
347.23706	4.0
352.23907	68.2
353.24393	3.4
359.23618	3.3
365.24686	44.5
366.25186	3.5
377.24649	5.3
378.24982	4.0
383.25687	7.8
391.26700	2.6
414.27615	3.0
420.30136	4.3
454.30978	3.1
487.31958	2.9
502.34241	10.9
503.34961	5.0
505.32639	4.8
507.34659	34.1
508.34805	4.6
520.35333	39.4
521.35986	2.9
567.38318	4.8
582.40234	8.0
583.41077	4.0
585.39093	7.6
600.41431	38.3
601.41980	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.03930	4.5
55.05504	19.4
57.03431	2.2
57.07063	13.6
58.12934	2.2
59.04982	7.0
65.03928	4.4
67.05495	29.8
69.03420	19.7
69.07059	23.8
69.50200	4.5
69.50600	20.2
70.06570	5.5
71.01347	2.2
71.04976	4.3
71.22871	1.9
77.03915	3.1
79.05479	33.8
80.06255	1.9
81.03368	2.0
81.07049	41.0
83.04967	17.3
83.08603	9.8
85.06526	8.0
87.04431	3.5
87.11396	1.6
89.06013	5.7
91.05466	58.7
91.45663	1.8
93.07030	79.4
93.61795	1.8
94.07342	2.5
95.04961	27.8
95.08594	41.7
97.06518	9.6
98.21475	3.3
99.08069	2.2
103.05454	4.6
105.07018	100.0
106.07855	3.0
107.04918	4.6
107.08579	65.1
109.06508	19.8
109.10142	26.9
111.08054	6.0
115.05386	6.9
116.06218	4.0
116.07068	11.9
117.06986	23.1
119.04914	3.0
119.08567	96.9
120.09366	2.3
121.06483	19.7
121.10123	58.1
121.10962	4.1
122.10434	2.5
123.08050	32.5
123.11680	6.2
125.05968	5.1
125.09592	9.3
128.06198	12.5
129.06992	27.4
130.07755	7.7
131.08549	54.5
132.09291	6.1
133.06470	11.2
133.08617	3.2
133.10109	50.1
135.08046	28.7
135.11659	16.0
136.08812	2.2
137.05991	3.4
137.09593	17.1
139.07545	4.0
139.11172	3.4
141.06963	11.0
142.07764	33.7
143.08542	60.2
144.09325	15.6
145.06485	5.2
145.10103	66.7
146.07239	2.8
146.10779	3.4
147.08018	36.8
147.11684	14.1
148.08781	2.7
149.09605	21.7
149.13258	2.5
151.07530	21.1
151.11220	2.2
153.06967	4.3
154.07759	5.4
155.08537	21.5
155.10605	2.8
156.09326	25.3
157.10117	81.1
158.07249	2.6
158.10883	15.8
159.08047	18.8
159.11681	49.2
159.12953	4.2
160.08821	6.6
160.12285	2.5
161.09608	21.7
161.13217	10.5
163.11156	20.5
165.06934	6.9
165.09105	47.3
165.12657	2.1
166.07739	4.7
166.09395	2.7
167.08510	12.3
167.10634	17.5
168.09300	9.8
169.10117	33.4
169.36700	2.1
170.10854	12.2
171.08051	4.0
171.11664	43.1
171.13052	3.6
172.08890	2.7
172.12405	8.0
173.09584	15.8
173.13232	25.6
174.10423	3.3
174.13817	2.1
175.11160	24.9
175.14853	6.1
176.11807	3.1
177.09048	4.7
177.12715	5.4
178.07816	2.2
179.08551	14.0
179.10625	4.9
180.09341	7.4
180.11444	2.5
181.10115	15.8
181.12212	11.0
182.10890	9.3
183.08058	2.8
183.11659	32.4
184.12384	7.3
185.09595	5.0
185.13228	27.3
186.10428	2.5
186.13982	4.1
187.11183	10.8
187.14783	8.8
188.11827	3.1
189.12721	16.1
190.13507	13.1
191.10738	2.2
191.14384	3.6
192.09271	5.0
193.10114	16.5
193.12206	12.9
194.10931	10.3
195.11668	32.4
195.13531	3.5
196.12422	7.5
197.09607	7.4
197.11588	4.8
197.13222	28.3
198.10393	4.2
198.13875	3.3
199.11133	12.3
199.14795	10.4
201.12643	10.4
203.14290	36.3
205.10164	3.4
205.12236	2.6
206.10841	6.6
207.11671	23.0
207.13782	15.4
208.12459	10.7
208.14519	11.5
209.13295	25.0
209.15218	4.1
210.10251	2.7
210.13928	6.4
211.11165	7.4
211.14764	16.5
212.11899	2.1
212.15373	2.1
213.12749	13.8
213.16298	5.8
214.13426	2.4
215.10567	3.5
215.14294	8.7
217.10109	4.4
217.12215	2.9
218.10928	3.9
218.16605	3.8
218.55692	2.0
219.11664	7.8
219.13777	5.3
220.12477	6.6
221.13248	13.9
221.15308	90.1
222.13853	2.3
222.15742	4.9
223.11229	4.3
223.14813	15.1
224.15500	2.5
225.12737	9.9
225.16351	5.4
227.14301	6.2
229.15822	3.9
230.10783	2.4
231.11649	7.0
231.13702	3.0
231.17282	2.5
232.12442	4.7
233.13185	7.6
233.15347	25.0
234.14110	3.1
234.16055	11.7
235.14812	15.5
235.16841	3.0
236.15541	3.0
237.12642	5.2
237.14621	38.1
238.17064	2.6
239.14297	7.2
241.15842	4.3
243.13828	2.6
245.13277	5.0
246.14018	3.9
247.14751	8.0
247.16954	11.8
248.13892	12.2
249.12492	2.7
249.16356	8.5
250.15625	4.7
251.18071	3.7
253.15942	9.2
255.17441	30.0
256.17969	2.7
257.13144	3.2
259.14664	4.6
259.17062	4.6
261.16272	11.0
263.17850	6.8
265.15805	3.2
265.19455	2.7
267.17465	2.7
268.18210	3.0
269.18964	5.5
270.19806	9.3
271.16882	7.9
271.20459	3.3
273.16168	3.2
274.19333	13.4
275.17740	3.2
277.19476	2.9
279.17429	7.3
281.18878	6.4
282.19778	2.1
285.18488	7.6
286.19296	16.1
287.20062	8.3
289.15851	2.8
289.19308	3.8
293.19284	2.7
294.19611	7.3
295.20615	5.0
297.18646	3.8
299.20142	19.4
303.16309	3.8
303.19513	48.9
305.18698	2.8
307.20612	3.8
309.18481	3.3
311.19977	5.1
312.20792	4.5
313.21695	16.8
319.20737	2.7
325.21683	20.7
333.22079	2.9
337.21478	7.0
339.23303	2.1
347.23389	3.1
349.21381	2.3
351.23300	3.3
352.23917	90.7
353.24329	5.9
359.23590	2.8
363.22998	2.4
365.24673	21.3
377.24713	5.8
379.26215	3.1
383.25760	6.5
402.29431	2.2
420.29947	4.1
454.30496	3.6
487.32031	3.3
500.31485	1.9
502.34329	11.0
503.34988	6.1
505.32880	6.2
507.34412	12.1
508.34970	4.1
520.35382	48.0
520.42560	3.9
521.35815	5.9
582.40436	4.7
583.41595	4.5
585.39465	4.5
600.41437	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06339	5.7
53.03944	7.0
55.05494	21.2
57.07065	19.0
61.06887	5.9
67.05501	35.8
69.03418	15.8
69.07055	20.1
71.04985	7.0
71.08619	6.1
71.80183	6.6
79.05477	25.5
81.07045	44.7
83.04969	8.7
83.08593	10.2
89.06026	32.3
91.05470	31.8
93.07014	54.3
93.36781	4.9
95.04960	27.9
95.08589	41.4
97.06548	28.1
97.10196	6.4
102.35910	5.5
105.07020	54.1
107.08595	44.0
108.09364	5.5
109.06493	16.0
109.10131	37.6
113.09642	12.0
117.07002	18.5
119.08559	62.2
121.06506	10.1
121.10133	34.3
123.08057	28.1
123.11719	7.8
125.05911	12.1
125.09634	10.9
128.06180	6.9
129.06976	19.5
131.08557	27.3
133.06528	6.5
133.08575	19.2
133.10135	30.7
135.08037	21.2
135.11679	11.7
137.09598	14.3
139.11168	14.5
142.07809	12.7
143.08568	40.8
144.09286	9.8
145.06459	26.8
145.10104	59.0
147.08034	24.1
147.11662	14.7
149.09605	19.7
151.07478	14.8
155.08510	16.5
155.10635	12.4
156.09340	14.2
157.10104	39.7
158.10812	7.1
159.08034	16.6
159.11703	40.9
160.08820	100.0
161.09550	9.9
161.13255	14.4
163.11142	18.4
165.09071	33.6
165.16794	6.6
167.08575	10.6
168.09320	8.3
169.10120	22.1
171.11719	23.7
173.09570	6.9
173.13239	15.8
175.11169	18.5
181.10104	9.3
181.12177	33.1
183.11684	14.1
185.13257	18.1
189.12802	10.5
191.14220	6.3
193.10101	8.3
193.12195	13.3
195.11624	18.0
196.98450	5.3
197.13222	15.2
199.11154	7.2
199.14751	7.0
201.12694	12.1
203.14314	21.3
207.11647	7.3
207.13806	9.3
208.14444	11.7
209.13248	20.6
211.14818	12.7
219.13696	8.7
221.13281	12.7
221.15324	87.5
222.15768	9.1
223.14880	8.2
225.16264	6.9
234.16145	24.9
237.16234	6.6
239.14226	7.3
247.14609	6.1
247.16890	16.5
273.18475	7.7
283.26266	14.7
286.19217	24.7
287.19904	12.4
299.20163	18.4
300.20636	14.0
312.20828	17.6
313.21591	6.3
325.21655	15.9
339.23227	10.4
339.28894	7.7
340.23935	10.8
352.24008	40.0
365.24628	14.6
415.25427	7.2
419.29611	9.0
427.27875	6.8
440.29071	43.8
520.35657	50.7
600.41437	47.1
600.55267	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64806	2.1
55.05495	7.8
57.07057	9.1
65.03923	3.2
67.05494	19.5
69.03407	9.4
69.07040	10.3
69.77988	20.1
79.05497	18.1
79.05889	3.7
81.07041	22.5
83.04944	6.6
83.08604	6.1
84.29792	2.6
85.06510	7.9
89.06004	8.6
91.05464	30.3
93.07028	37.7
95.04969	12.9
95.08589	25.4
95.80282	2.3
97.06499	7.3
98.21410	5.4
105.07014	51.0
106.07816	2.6
107.08571	35.0
109.06478	12.2
109.10129	11.7
111.08072	4.7
116.06199	3.1
117.06994	16.2
119.08569	59.3
121.06439	6.0
121.10127	27.8
122.07269	3.5
123.08047	25.9
123.11679	4.4
125.05955	5.9
125.09563	3.8
126.33860	3.2
128.06210	6.5
129.06982	13.5
131.08546	28.6
132.09305	4.0
133.06505	3.5
133.08592	5.3
133.10104	32.5
135.08046	16.9
135.11656	8.7
137.09612	12.0
141.06938	6.2
142.07814	13.8
143.08540	27.4
144.09296	8.8
145.06444	3.9
145.10107	43.5
147.08025	26.7
147.11673	10.9
149.09579	7.5
150.10266	2.6
151.07550	8.6
151.11095	4.3
154.07774	2.6
155.08531	9.8
155.10655	3.2
156.09338	14.8
157.10104	44.4
158.10851	9.3
159.08037	7.8
159.11682	36.5
160.08823	5.1
160.12321	3.5
161.09583	11.5
161.13225	8.2
163.11115	13.9
165.06984	4.6
165.09076	37.4
167.08507	4.7
168.09250	3.3
169.10086	20.6
170.10851	7.7
171.08023	3.7
171.11644	24.8
172.12396	7.6
172.30209	2.3
173.09575	8.6
173.13159	13.1
175.11169	21.4
175.14822	2.8
179.08604	5.7
179.10454	2.8
180.09300	4.2
180.11316	3.8
181.10080	9.4
181.12263	15.5
182.10863	8.6
183.11687	19.9
184.12431	3.7
185.09615	7.0
185.13219	12.0
187.11194	3.7
187.14810	6.5
189.12704	8.8
190.13463	8.8
191.14273	2.8
193.10020	7.9
193.12210	14.8
194.10904	2.7
195.11653	18.3
195.13440	4.0
196.12337	6.8
197.13269	17.0
199.11111	5.7
199.14755	8.1
201.12668	8.1
203.14290	14.5
207.11667	9.0
207.13739	11.5
208.12311	3.7
208.14497	8.4
209.13226	9.7
210.13937	4.4
211.11098	3.1
211.14764	9.1
212.15526	3.4
213.12694	5.5
213.16277	4.1
219.11723	5.1
219.13779	5.4
221.13257	9.7
221.15314	79.5
222.13887	3.3
222.15771	2.7
223.11006	3.1
223.14722	5.4
225.12643	4.2
225.16449	4.7
227.14284	3.8
231.11748	3.4
231.13878	3.1
233.13165	4.4
233.15314	5.5
234.16156	24.2
237.12659	4.1
237.16336	4.9
241.15872	3.6
247.14713	3.5
247.16963	16.3
248.17543	3.4
253.15886	4.4
259.16971	4.3
269.18753	2.6
274.19153	8.5
274.22119	2.9
275.17865	2.9
277.19540	2.7
286.19150	7.1
287.19968	8.5
291.17523	2.9
297.18460	2.9
299.20145	12.3
309.18481	3.9
310.18875	3.0
311.20184	4.3
312.20731	5.4
313.21332	5.0
325.21603	13.5
326.22324	4.8
334.21353	3.0
337.21539	9.4
339.23135	3.2
340.23959	5.3
352.23926	71.3
364.24448	2.8
365.24677	10.8
379.26779	2.5
391.26132	4.0
400.25684	3.4
419.29391	2.8
420.30298	3.8
440.29114	9.0
454.30753	3.0
505.32275	3.5
506.33881	3.3
507.34689	12.2
508.35202	5.1
513.59698	2.6
520.35431	100.0
521.36102	2.8
585.39856	3.3
600.41315	24.6
601.42596	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01852	4.4
55.05502	23.1
57.03422	6.5
57.07068	19.4
58.74909	2.4
59.04983	4.2
61.02553	3.0
65.03924	3.9
66.65556	2.6
67.05493	54.7
69.03425	14.4
69.07053	25.4
71.04978	6.8
71.80309	5.1
72.24258	2.9
79.05484	38.8
81.03401	33.3
81.07042	67.4
83.04968	16.2
83.08604	23.4
85.06532	10.0
89.06014	9.3
91.05461	64.0
93.07030	78.7
95.04948	31.5
95.08587	57.5
95.23024	2.5
97.06529	18.5
97.10166	6.2
102.10505	2.7
103.05438	4.7
105.07013	99.2
106.70774	2.5
107.04948	10.3
107.08574	75.4
109.06513	21.5
109.10137	31.0
110.21960	2.8
111.08061	10.2
113.09610	5.6
115.05448	8.8
117.07008	25.5
119.08566	100.0
121.06493	17.4
121.10130	56.7
123.08039	38.0
123.11702	10.9
125.05956	4.7
125.09599	14.8
128.06197	10.8
129.06990	25.7
130.07750	9.8
131.08546	58.2
133.06468	10.7
133.07491	2.5
133.08588	4.9
133.10104	56.6
134.10909	2.8
135.08018	29.5
135.11711	18.7
137.05936	4.0
137.09587	25.4
139.07536	4.3
139.11234	4.3
140.11494	3.5
141.06976	11.6
142.07747	30.8
143.08548	54.3
144.09401	14.1
145.10107	68.8
146.10718	3.3
147.04419	3.2
147.08046	38.3
147.11655	17.8
148.08707	2.7
149.09613	16.6
149.13235	3.6
150.62199	2.7
151.07530	18.5
151.11163	5.5
153.06992	4.6
154.07790	3.8
155.08578	22.6
155.10666	7.7
156.09325	22.4
157.10109	82.4
158.10789	5.1
159.08041	17.8
159.11652	46.5
160.08875	5.2
160.12357	2.9
161.09575	16.0
161.13222	8.8
163.11156	26.7
165.06921	7.1
165.09099	48.7
166.07690	4.3
166.09377	4.6
167.08533	12.6
167.10704	11.6
168.09238	8.4
169.10091	36.1
170.10835	14.5
171.08061	3.9
171.11671	50.5
172.12434	9.5
173.09618	16.5
173.13245	17.6
175.11128	28.3
175.14725	4.4
177.09013	3.6
177.12735	4.4
179.08542	7.5
179.10663	5.7
179.14334	3.1
180.09265	6.4
181.10086	18.9
181.12132	15.5
182.10898	12.4
183.11642	29.5
184.12308	6.0
185.09679	8.6
185.13242	27.7
186.13908	4.0
187.11165	11.9
187.14812	12.2
188.11977	3.4
189.12727	11.1
190.13475	12.7
191.10672	5.3
191.14273	5.3
192.09343	4.8
193.10123	15.2
193.12082	18.9
194.10922	6.9
195.11679	36.0
195.13547	4.4
196.12392	8.8
197.13199	26.7
198.13814	3.9
199.11151	10.5
199.14828	10.6
201.12727	8.4
203.14284	30.6
205.10136	4.8
205.12202	4.5
206.10948	6.1
207.11681	18.0
207.13786	16.4
208.12425	9.0
208.14536	9.4
209.13246	21.6
209.15141	5.8
210.13943	7.5
211.11147	7.5
211.14697	15.1
213.12723	11.4
213.16321	4.4
215.14220	10.3
219.11780	5.9
219.13795	7.3
220.12411	8.2
221.13245	12.2
221.15309	96.2
222.13797	5.9
222.15730	7.6
223.14787	13.6
225.12694	7.7
225.16368	11.8
227.14250	4.5
227.17923	4.7
229.15916	4.0
230.13039	3.7
232.12430	4.0
233.13292	5.4
233.15369	15.3
234.13953	4.1
234.16055	11.8
235.14769	11.2
235.16975	3.9
237.12599	3.7
237.14537	29.7
238.16902	2.8
239.14296	5.7
241.15785	6.3
245.13316	5.0
246.13895	3.3
247.14810	7.2
247.16933	9.9
248.14090	10.9
249.16348	8.0
251.18112	6.6
253.15863	8.7
255.17422	23.2
257.15454	3.1
259.14700	4.1
259.17050	4.5
261.16269	10.2
263.17972	6.7
267.15729	28.6
268.18115	3.5
269.19022	5.3
270.19656	10.1
271.16901	6.7
273.18677	4.9
274.19342	16.6
277.19592	3.4
279.17212	3.3
281.18896	6.6
285.18671	5.4
286.19308	15.9
287.20056	8.1
294.19733	7.0
299.20081	15.9
303.19489	45.8
309.18619	3.4
312.20770	6.1
313.21729	16.6
319.20340	3.4
325.21530	16.8
337.21445	9.3
337.27347	26.0
341.30487	6.4
345.22327	3.2
352.23917	84.8
365.24658	23.1
377.24594	7.4
383.25699	5.2
392.26099	3.1
420.30035	3.6
455.34433	3.6
487.32550	3.2
502.34210	11.6
503.34937	4.2
505.32669	4.2
507.34387	10.4
520.35388	59.1
529.38824	30.6
547.39722	12.3
565.40466	3.6
582.40442	8.2
600.41425	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	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.2
57.03418	0.2
60.00985	0.2
61.02907	0.2
67.05475	0.2
69.03412	0.6
70.06577	0.5
70.45807	0.8
72.81073	0.2
73.02903	0.2
74.04320	0.2
79.05470	0.3
81.03390	0.4
85.02875	0.7
91.03991	0.2
91.05476	0.9
95.08613	0.2
97.02880	0.6
105.07001	0.5
107.04932	0.7
114.09148	0.3
115.05433	0.8
116.06232	0.3
117.07008	0.8
119.08572	0.2
121.06493	0.4
127.03885	0.2
128.06181	1.3
129.06989	3.6
130.08659	0.3
131.04939	0.3
131.08553	5.0
133.04958	0.4
133.06453	0.7
133.10149	0.5
136.03960	0.2
136.06165	3.7
137.05966	0.2
140.46461	0.2
141.06960	1.3
142.07747	0.3
143.08545	1.2
144.05684	1.6
145.06482	1.4
146.07243	0.5
147.04358	0.6
153.06969	0.6
157.06456	2.1
158.07246	0.7
159.08032	9.4
160.05089	0.2
161.05925	0.6
161.09599	2.3
167.06984	0.9
169.06450	0.6
169.07718	0.4
170.07271	1.8
171.08049	2.4
172.05246	0.9
173.06007	1.2
173.09558	0.4
174.06749	0.6
175.07532	0.9
177.05417	0.5
178.06142	0.3
179.05444	0.3
185.05881	0.3
186.06718	0.3
187.07520	6.8
188.08205	0.4
189.05467	0.4
189.09081	3.9
190.06256	0.3
191.06981	0.5
193.08517	0.4
193.12222	0.2
198.06743	0.6
199.07494	1.0
201.05449	0.4
201.09087	0.6
203.07040	1.2
204.07791	3.5
205.08621	0.7
206.09311	0.5
207.06566	0.2
207.10132	0.5
216.07777	1.8
217.08519	0.4
218.09402	0.7
219.10149	2.6
221.08105	0.4
221.11682	1.4
231.10159	2.6
233.11755	1.2
234.08830	0.5
237.11122	0.5
249.11191	100.0
250.11557	1.5
251.12773	2.6
267.12238	5.7
267.15063	0.3
402.32047	0.2
482.03644	0.2
582.27631	0.3
600.28613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56186	2.3
51.02405	2.4
51.41135	2.0
53.03930	7.5
55.01851	4.3
55.05500	15.0
55.63308	2.1
57.07062	13.9
57.45844	2.0
58.15945	2.0
59.04974	4.2
65.03925	3.4
67.05492	27.2
68.18188	2.3
69.03410	15.8
69.07054	12.9
69.57566	22.3
71.04970	2.6
73.55196	2.3
79.05482	32.5
81.03410	4.2
81.07044	38.8
83.04967	16.1
83.08614	6.7
85.06525	7.6
89.06010	3.7
91.05469	42.6
93.07033	61.9
93.07639	3.0
95.04958	22.5
95.08591	36.1
97.06548	11.5
103.05447	3.8
105.07019	82.3
107.04942	4.3
107.08575	44.6
108.05727	2.6
109.05902	2.8
109.06512	25.0
109.10144	19.0
111.08080	5.5
115.05437	3.4
117.07005	21.3
119.08566	75.1
120.09386	3.9
121.06501	18.7
121.10119	47.3
123.08044	31.1
123.11728	4.5
125.05988	10.7
125.09623	6.9
127.25258	2.3
128.06187	11.5
129.07002	21.5
130.07780	5.7
131.07643	3.2
131.08549	48.6
132.09351	2.9
133.06462	7.5
133.10106	47.4
135.08026	21.1
135.11661	11.9
137.05942	4.4
137.09583	14.9
139.07471	4.4
141.06952	10.3
142.07773	30.7
143.08543	45.3
144.09322	14.5
145.06395	4.4
145.10110	66.9
147.08041	34.6
147.11676	14.3
149.09601	21.6
151.07510	18.1
153.06935	4.0
153.09079	4.4
154.07716	3.2
155.08513	19.6
155.10638	3.0
156.09332	17.4
157.06419	3.2
157.10109	72.5
158.10803	9.1
159.08037	15.5
159.11687	34.0
160.08821	3.5
161.09589	22.4
161.13228	11.0
163.11156	23.9
165.06985	3.9
165.09097	44.6
167.08519	8.3
167.10663	15.2
168.09299	7.5
169.10097	29.3
170.10901	8.4
171.08034	6.0
171.11671	39.8
172.12395	8.3
173.09621	14.2
173.13225	16.9
174.10358	5.0
175.11182	30.5
175.14737	5.1
176.11935	7.0
177.09122	3.7
177.12704	5.3
178.07809	2.6
179.08510	11.6
179.10664	4.8
180.09332	5.5
181.08575	3.9
181.10075	20.0
181.12175	19.8
182.10895	9.1
183.08015	3.9
183.11690	25.7
184.12355	6.6
185.09579	7.1
185.13239	23.9
186.10437	2.9
186.13982	3.4
187.11136	8.4
187.14717	5.0
188.11928	3.0
189.12737	16.0
190.13451	11.3
191.10640	3.5
191.14307	4.5
192.09314	3.8
193.10243	15.2
193.11934	12.7
194.10898	4.7
194.12895	5.5
195.11682	25.3
195.13597	4.7
196.12492	3.9
197.09680	3.9
197.11595	5.9
197.13239	20.9
198.13847	2.9
199.11191	10.8
199.14873	8.9
201.12732	9.3
203.14291	25.0
205.10094	2.9
205.12167	3.2
206.10889	5.4
207.11652	17.0
207.13770	25.1
208.12427	7.2
208.14514	6.4
209.13213	21.1
209.15305	6.8
210.13986	3.4
211.11163	9.7
211.14763	15.5
213.12721	9.6
213.16357	4.2
215.14331	5.7
217.15865	3.5
218.10966	3.6
218.16634	6.1
219.11800	4.8
219.13809	7.4
220.12360	6.9
221.13263	11.9
221.15305	100.0
222.13901	3.9
222.15831	3.6
223.11217	5.3
223.14827	11.2
225.12770	11.4
225.16359	9.2
227.14316	6.8
231.11473	3.1
232.12331	3.7
233.13145	9.8
233.15369	20.2
234.14003	3.2
234.16020	13.9
235.14771	9.7
235.16861	4.8
237.12622	5.1
237.14670	35.7
238.13394	2.7
238.81522	2.3
239.14232	2.9
241.15950	4.7
245.13182	3.8
245.15465	3.2
246.14012	2.8
246.16353	3.3
247.14676	6.2
247.16917	11.9
248.13945	12.3
249.16359	9.5
251.14240	5.9
251.18080	4.0
253.15860	8.4
255.17404	22.3
256.18091	2.3
259.17090	4.9
261.16385	9.5
263.14114	2.9
263.18054	3.7
264.18726	2.4
265.19476	2.7
267.17377	3.2
268.18280	3.1
269.18765	5.5
270.19666	4.6
271.16931	9.4
273.15799	3.2
273.18460	7.7
274.19339	11.8
276.18985	2.5
277.19485	4.4
279.17429	5.5
281.18951	9.0
285.18378	8.9
286.19342	20.2
287.19962	10.3
289.19455	5.3
291.20908	2.9
294.19678	4.5
295.20520	5.1
297.18384	4.6
298.19333	2.5
299.19989	16.7
300.20627	2.7
303.19559	36.6
310.19339	2.9
311.20010	10.2
312.20749	9.2
313.21490	16.7
319.20496	3.7
325.21576	42.8
337.21561	10.0
347.23492	3.1
352.23895	67.5
365.24716	49.4
377.24625	6.9
383.25787	9.7
391.26300	4.8
419.29459	3.0
487.32111	3.9
502.34323	8.5
503.35175	4.5
505.32797	3.8
507.34604	45.8
508.34708	2.5
520.35437	48.3
567.37683	5.7
573.64795	2.3
582.40479	6.0
583.41479	6.7
585.39063	6.3
600.41364	31.8
601.42236	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	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.4
65.03925	0.4
69.03423	0.5
70.06567	0.8
78.04778	0.3
81.03389	0.7
83.04967	0.3
85.02888	1.1
86.09760	0.2
91.05460	3.7
94.98653	0.3
95.04972	0.6
97.02878	0.7
100.11244	0.3
103.05462	0.5
105.06996	0.8
107.04929	0.8
109.02824	0.3
114.09126	0.9
115.05437	0.9
116.06241	0.4
117.07000	1.0
119.04929	5.1
119.08572	0.5
128.06245	1.5
128.07068	0.4
129.06990	4.1
130.08650	0.5
131.04872	0.5
131.08557	6.3
133.06468	1.0
133.10080	0.6
137.05931	0.7
141.06935	1.3
142.07777	0.6
143.04950	0.3
143.08536	1.0
144.05672	1.8
145.02817	1.0
145.06482	1.6
146.07245	0.8
147.04390	4.8
153.06999	0.7
157.03969	0.6
157.06462	2.8
158.07225	0.4
159.08032	9.3
160.05017	0.3
161.05974	0.9
161.09596	2.2
167.07011	2.2
169.06424	0.5
169.07671	0.6
170.07249	2.1
171.08051	2.1
172.05161	1.2
173.05949	1.0
173.09567	0.3
174.06689	0.5
175.03889	7.4
175.07549	0.6
176.04225	0.4
177.05476	2.1
178.06175	0.5
179.06975	0.8
187.07527	8.4
188.08203	0.5
189.05385	0.4
189.09058	3.6
190.06166	0.4
191.07010	0.5
192.07797	0.3
193.08569	0.5
198.06682	0.5
199.07498	1.4
203.07037	1.3
204.07796	5.0
205.08563	0.8
206.09299	0.7
207.06499	18.5
208.06798	0.5
209.16312	0.3
212.68437	0.3
216.07840	1.7
217.08444	0.3
218.09398	0.5
219.10107	2.3
221.08052	0.5
221.11682	1.6
229.97766	0.4
231.10150	2.5
232.10391	0.4
233.11731	1.1
234.08769	0.5
237.11177	0.9
249.11191	100.0
250.11584	1.3
251.12772	1.9
267.12231	2.9
289.05923	0.5
290.06232	0.3
291.06137	0.4
323.10886	0.3
600.24152	0.3
622.35260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03923	3.8
55.05509	10.4
57.03422	2.3
57.07068	7.0
59.04990	4.6
64.72343	1.7
65.03938	5.0
67.05494	27.4
69.03419	12.2
69.03760	1.7
69.07060	18.2
69.48994	2.0
69.49326	18.8
71.04986	3.3
79.05482	21.6
80.05841	2.1
81.03404	3.7
81.07046	33.7
81.07524	1.7
83.04967	8.5
83.08610	11.3
83.39156	1.7
84.08137	2.0
85.06538	6.3
91.05460	29.1
93.07031	56.8
94.07373	2.0
95.04951	11.6
95.08594	30.7
97.06513	8.6
97.10179	2.5
98.09631	1.6
98.20622	4.0
101.93600	1.7
103.05479	3.0
105.07019	42.6
107.04970	2.7
107.08583	38.9
109.06511	12.6
109.10159	17.8
111.08070	5.3
111.11695	3.0
113.09650	2.3
115.05479	3.4
117.06991	11.5
119.04886	1.5
119.08565	44.7
121.06493	7.9
121.10133	58.1
123.08073	21.9
123.11716	7.9
125.06017	1.9
125.09638	4.9
128.06209	3.9
129.07016	9.1
130.07771	4.2
131.08539	22.4
133.06482	3.8
133.10109	31.4
135.08058	9.5
135.11667	13.9
137.06012	2.0
137.09650	5.3
139.11214	5.2
141.06979	2.8
142.07755	11.2
143.08540	24.4
144.09335	5.1
145.06496	3.1
145.10115	34.5
147.08029	11.8
147.11676	11.8
149.09579	18.1
149.13243	4.2
151.07500	16.0
151.29356	1.8
153.09142	2.8
155.08588	7.7
156.09282	9.2
157.10104	27.5
158.10849	3.0
159.08084	8.1
159.11681	19.2
161.09669	7.6
161.13298	5.8
162.38635	1.5
163.11214	6.4
163.14819	2.1
165.07013	3.5
165.09116	11.7
167.08589	5.7
167.10666	91.4
168.09378	3.6
169.10095	13.2
170.10977	4.9
171.08067	2.8
171.11661	18.5
172.08871	2.6
173.09648	4.8
173.13252	12.7
175.11206	6.1
175.14722	9.1
177.09096	2.0
179.08549	4.5
180.09288	2.2
181.10181	6.2
181.12170	4.5
182.10869	4.3
183.11737	12.2
184.12399	3.4
185.09679	3.1
185.13251	9.1
187.11211	5.6
187.14859	6.2
189.12665	10.1
191.14323	4.0
192.09375	2.9
193.10172	7.4
193.12491	1.9
194.10965	4.9
195.11758	9.9
195.13673	2.8
196.12448	4.5
197.09637	1.7
197.13242	11.3
199.11188	4.0
199.14841	8.3
200.12090	2.2
201.12691	1.9
203.14365	7.7
205.15881	3.0
206.10945	3.9
207.11743	7.5
207.13896	7.3
208.12556	3.1
209.09703	2.2
209.13310	11.2
209.15263	3.3
211.11148	3.7
211.14893	7.6
213.12843	4.3
213.16353	3.1
215.14194	9.2
217.15962	3.0
219.11737	4.2
220.12564	2.2
221.13268	9.5
221.15431	27.8
222.13976	3.2
223.11266	2.0
223.14903	6.0
225.12779	4.2
225.16345	2.4
227.17822	2.1
229.15938	3.9
231.11713	2.2
233.13228	4.8
233.15326	32.6
235.14917	4.2
235.17148	2.6
237.16583	2.6
241.04610	2.0
241.19559	2.3
243.11433	1.9
245.13240	2.9
247.14680	3.6
249.16400	4.9
251.18147	2.1
253.15965	2.2
255.17450	2.3
257.19342	2.1
259.14734	2.2
273.16223	3.4
275.17929	1.8
281.19031	2.7
283.20755	3.2
286.19431	2.0
287.20120	5.7
299.20267	5.3
311.20062	3.9
323.20468	1.8
351.22968	2.5
365.24808	3.4
373.25452	3.1
377.24789	3.3
391.26382	6.1
419.29736	2.4
464.30655	3.2
546.39191	2.3
563.38715	5.0
563.77972	1.9
565.30823	2.3
581.39813	25.8
599.41010	100.0
600.41400	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	599.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01859	1.4
57.03429	0.9
58.06590	3.5
61.02917	1.0
69.03407	1.2
69.07036	0.7
69.23037	0.6
70.06571	1.7
70.94823	0.6
70.95143	1.4
71.04982	4.2
71.07339	0.7
72.05312	1.5
72.08138	7.7
73.64780	0.6
79.05487	1.2
80.97542	0.6
81.03391	1.9
84.08118	0.9
85.02893	8.1
85.75375	0.6
86.03214	1.2
87.03289	0.6
91.05454	1.0
95.04948	1.6
97.02883	1.8
103.03900	0.6
107.04935	100.0
108.05276	0.7
109.02863	2.1
111.04391	0.6
114.12785	67.0
117.03387	0.7
119.04926	0.8
121.02837	2.1
121.06459	1.2
123.04396	0.7
127.03880	1.4
129.05453	0.8
130.08617	0.6
131.04886	2.0
135.04346	0.6
136.07556	0.7
137.05963	0.8
139.03838	0.8
145.02797	1.0
147.04382	2.3
149.05940	1.2
151.03889	1.9
153.01808	0.5
161.05972	1.2
163.03879	2.5
167.02074	0.6
167.06972	0.6
169.06543	0.7
171.04417	0.9
173.05963	1.3
175.03873	4.0
177.05453	3.5
181.04900	2.0
187.03932	1.7
189.05457	1.3
191.08397	1.0
192.08884	1.1
193.04924	3.1
201.05470	0.9
203.06931	1.0
205.04897	5.2
207.06473	3.3
213.05429	1.9
217.04932	4.7
219.06360	0.7
219.08180	1.0
220.08342	0.6
221.04332	1.3
223.05972	1.4
227.06973	0.9
229.04950	2.7
231.06548	1.6
235.05930	3.8
236.08353	0.7
241.04903	1.4
247.05959	6.1
249.11180	0.8
251.06877	0.7
251.10657	1.4
252.11057	1.1
253.04973	0.9
255.06551	0.9
257.04297	0.7
259.05945	6.8
267.06497	0.9
268.13351	1.2
269.13687	0.8
271.05847	2.7
273.07480	1.3
275.08984	0.8
277.07083	2.6
283.05862	2.0
287.05469	9.4
287.08817	0.9
288.05783	12.3
289.06015	19.7
290.06268	8.7
291.06537	6.2
297.07706	0.7
299.05383	0.7
299.09012	0.7
301.07068	3.2
307.05807	0.7
311.09015	1.3
313.07062	2.7
317.10168	1.6
325.07178	2.0
329.10074	3.6
335.08725	0.9
341.10153	4.7
343.08255	1.5
353.10107	7.4
359.11444	0.6
365.10172	4.6
377.09988	2.1
383.11139	6.4
389.10333	1.2
395.11115	7.9
407.11218	6.5
413.12109	2.9
419.10977	5.0
425.12347	3.4
431.13391	11.1
437.12091	0.6
437.26389	15.3
443.13251	3.2
449.12274	5.2
461.13156	3.8
467.13205	4.2
479.13324	2.9
485.14255	3.5
491.13293	2.6
497.14267	5.4
509.14252	2.2
527.15704	3.1
545.16516	2.4
563.17676	1.0
577.91736	0.6
599.32281	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	599.2494
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
54.05827	1.0
55.05496	3.9
55.72279	1.2
56.04742	1.1
57.07052	2.1
67.05506	7.6
67.10662	1.2
69.07047	4.1
71.08624	1.6
71.71773	2.6
72.96368	1.3
79.05470	6.4
81.03432	1.8
81.07034	8.6
83.04963	1.5
83.08599	1.5
85.06519	1.3
89.06022	2.9
91.05465	4.7
93.07043	5.7
94.07408	1.4
95.04957	1.7
95.08597	6.3
97.10158	2.1
105.07001	5.7
107.08591	4.9
109.06420	1.3
109.10149	3.4
115.41279	1.2
119.08583	5.3
121.02287	1.2
121.10134	4.4
123.08095	2.0
123.11714	2.0
129.07034	1.5
131.08574	1.7
133.08598	3.3
133.10127	4.6
135.08002	1.8
135.11678	1.8
143.08557	2.2
145.10101	3.6
147.08060	1.7
147.11674	1.7
149.09695	1.3
157.10141	2.3
157.54605	1.2
159.07999	1.2
159.11650	2.1
163.11172	1.6
165.09126	2.5
169.10123	1.8
181.12242	2.6
185.13219	1.6
195.11710	1.7
199.11147	1.4
201.16232	1.4
220.81778	1.3
221.15367	7.6
223.12308	1.7
235.12312	1.1
235.15025	1.2
237.13968	1.4
249.13882	1.3
251.11974	1.2
261.13968	1.3
314.16788	1.3
330.19455	1.7
337.27444	1.5
339.16153	3.2
340.17264	2.8
352.17908	1.5
353.17734	4.1
354.18317	6.3
358.19165	1.5
365.17670	2.2
367.19229	2.9
369.20715	13.4
377.17307	2.2
379.19366	6.5
380.20096	1.4
382.17697	1.4
389.17697	1.4
393.20700	2.0
397.20361	4.1
409.20294	1.8
419.18552	1.6
425.19580	22.4
437.19574	2.0
439.22104	1.8
451.21478	10.9
452.21936	2.4
453.19098	3.7
455.24866	1.8
456.24991	3.5
461.19797	1.6
462.20560	3.2
465.23050	1.9
467.24820	1.7
468.21136	1.5
483.23962	3.5
484.24792	6.6
492.68475	1.5
495.23779	2.2
497.21878	1.8
511.23398	4.4
512.24127	36.3
513.24219	1.5
518.13818	1.3
521.21417	2.4
539.22827	34.8
540.23022	2.2
555.26971	1.5
582.22986	1.7
590.10962	1.3
599.24969	100.0
599.40985	6.8
599.50775	3.5
600.25146	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	599.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.9
56.12978	0.7
56.96552	1.9
69.03399	1.3
69.63071	0.7
71.20018	0.8
71.37438	1.8
77.00898	1.4
81.03439	1.4
82.99863	3.2
85.02897	2.6
85.06533	2.5
86.06059	0.9
94.92969	1.0
94.99895	0.9
95.04957	4.7
97.02885	1.7
98.33398	0.8
98.97561	2.8
101.00853	10.5
105.00344	1.3
109.02853	1.7
113.00005	0.7
113.00794	1.5
115.02416	1.0
116.98658	1.9
119.01904	52.5
125.04462	0.9
127.02373	1.8
127.03905	2.1
128.98598	0.8
129.03984	1.4
131.01892	10.3
131.05507	2.6
132.99742	0.9
133.03448	1.4
137.02946	14.4
139.02409	1.4
142.03474	1.6
143.01878	39.6
143.05527	5.7
144.01920	0.8
145.03464	13.0
145.04810	1.5
146.99644	1.2
147.01363	1.4
147.05093	1.2
149.02945	3.3
149.06557	4.8
151.00876	1.9
155.01869	16.2
157.03459	8.2
158.99657	2.2
159.05029	3.1
161.02939	100.0
161.06563	11.9
162.03123	2.7
163.04448	2.3
163.08180	1.7
167.01874	6.0
167.05666	1.7
167.07030	2.9
169.03452	3.3
170.99721	0.7
171.05026	5.5
173.02945	34.0
173.06558	8.3
174.03288	1.3
175.00876	9.4
175.04442	4.7
177.00726	1.0
177.02255	0.9
177.06033	1.1
179.01886	3.9
179.03996	2.9
179.07704	1.1
183.04999	0.9
184.04520	5.1
185.02940	46.2
185.06541	19.6
185.08238	1.0
186.03151	1.8
186.99286	1.3
187.00870	2.4
187.04517	6.9
187.08125	3.3
189.00694	2.0
189.06050	11.1
191.03949	6.4
191.07654	2.9
193.00151	1.1
193.01898	13.3
196.04567	1.3
197.02931	19.8
197.06532	2.5
199.04555	1.9
199.08162	1.4
201.00769	1.5
201.06093	4.0
203.03986	19.2
203.07631	11.4
205.00146	2.1
205.01956	4.0
205.05548	2.5
205.09175	2.2
207.07094	14.1
208.04660	1.1
209.02995	1.6
213.06056	11.0
215.04018	12.5
215.07536	1.8
217.05626	1.9
218.99883	0.9
219.01765	1.0
220.04382	0.8
221.05029	6.5
225.06068	1.4
225.08124	1.0
227.04045	10.3
227.07620	7.7
229.05479	1.4
229.11287	0.8
230.98131	1.0
231.07111	34.3
232.07314	0.9
237.02634	0.9
239.03969	1.4
239.07820	1.0
243.07146	4.7
245.05034	92.3
246.05225	2.7
248.99139	2.7
249.08220	5.3
254.08702	1.4
255.07106	2.1
257.04999	11.1
257.07925	1.1
257.08469	0.9
261.02905	1.1
261.08200	1.2
263.03513	1.3
263.06107	17.9
267.07083	2.2
272.09796	1.1
273.08148	52.6
274.08389	1.7
275.06104	17.6
285.08151	12.5
286.07761	1.2
287.06030	2.0
289.03918	1.3
291.09167	8.4
293.07053	5.0
297.08215	2.3
298.07840	1.3
299.06042	1.8
303.00134	1.2
303.09219	7.3
305.07126	11.5
307.05084	4.4
314.10858	2.0
315.09128	6.2
317.07141	17.6
321.10309	1.1
327.09183	0.9
329.07132	1.6
333.10275	17.7
335.08237	3.9
347.08154	8.2
351.11481	1.5
357.10068	2.3
359.08447	1.3
365.09265	8.0
375.11292	18.9
377.09225	19.0
393.03601	4.6
393.12375	14.5
419.10172	15.0
425.11243	3.9
437.11368	54.1
438.11649	2.5
441.09393	1.0
465.14401	1.2
469.10150	7.4
479.11917	1.4
495.15530	2.5
513.16443	2.7
555.17566	5.3
580.23169	0.9
599.16559	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	598.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01868	4.4
55.05507	26.4
57.03430	18.1
57.07065	4.0
58.53527	1.7
63.21946	1.8
65.03942	4.3
67.05496	81.6
69.03407	3.7
69.07062	24.9
70.75177	2.4
71.04982	8.7
71.08620	13.5
71.79826	2.8
76.11024	1.8
79.05483	62.0
81.03395	29.4
81.07045	100.0
83.04966	17.7
83.08602	26.8
84.04485	5.5
85.02887	7.3
85.06524	6.5
91.05469	47.1
93.07031	75.1
95.04948	21.3
95.08591	43.7
97.02914	1.8
97.06520	15.7
97.10154	7.9
99.08082	13.6
105.07017	29.9
107.04932	5.5
107.08582	44.1
109.06490	6.5
109.10123	14.7
111.08069	8.9
113.09628	3.7
115.05448	2.2
117.07008	12.8
119.08553	23.7
121.06472	4.5
121.10127	26.3
123.08027	4.5
123.11705	5.1
125.09621	6.5
129.07014	6.7
131.08565	18.8
133.10118	22.2
135.08011	2.9
135.11667	14.3
137.09634	2.5
137.13361	2.4
139.74396	2.1
143.08571	4.7
145.10107	9.6
147.07948	3.3
147.11652	13.2
149.09688	3.1
149.13214	25.2
151.11157	17.2
157.10120	7.8
159.11676	14.5
161.13251	6.2
163.11162	8.9
163.14763	4.2
169.10078	2.8
171.11722	2.0
173.13283	4.6
175.11148	4.9
175.14822	5.6
177.12709	7.7
179.14243	6.8
189.11177	2.5
193.12183	13.6
195.13812	11.7
211.13264	20.3
221.15276	2.9
227.12866	11.4
243.21057	3.2
245.20822	1.9
259.20499	5.2
261.22141	3.4
267.15698	3.2
269.17432	53.0
277.21570	11.2
285.16861	18.3
333.24240	3.0
335.25821	16.7
351.25323	20.8
367.24820	6.3
435.32217	2.4
439.27039	6.8
445.29245	2.0
447.30850	6.5
453.33627	4.4
459.31714	2.9
462.22635	2.0
463.30508	77.6
464.31125	2.7
487.34296	3.7
527.37225	17.0
545.38367	64.0
546.38806	2.6
563.38605	2.7
598.38354	4.3
599.41211	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	598.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58732	1.6
52.13630	1.7
53.03915	1.7
55.05507	11.2
57.03427	4.3
57.07060	4.0
57.56459	1.7
58.06583	1.7
67.05495	48.4
69.07069	12.1
70.31032	6.8
71.04980	15.2
71.08620	3.1
71.12428	1.5
79.05490	15.3
81.03439	3.2
81.07042	78.5
83.04974	2.0
83.08614	9.4
85.06519	4.7
91.05463	16.0
93.07036	17.2
95.04967	3.3
95.08599	27.5
97.06507	4.3
97.10156	4.3
105.07012	8.2
107.08593	13.4
109.06504	2.1
109.10128	12.6
119.08542	4.4
121.10141	7.5
123.11691	12.9
131.08588	2.0
133.10110	14.5
135.08058	2.0
135.11690	4.7
145.10040	2.2
147.11656	2.9
149.13211	2.5
151.11133	4.7
159.11690	2.4
161.13295	3.1
177.12738	2.7
183.30563	1.7
187.13354	2.9
253.30907	1.6
257.17499	2.2
267.15845	7.1
269.17401	5.0
286.53259	1.8
301.20096	25.5
313.27341	4.8
337.27258	20.5
339.28949	5.6
356.76019	1.7
371.36478	2.0
500.88959	1.9
505.38815	100.0
506.39063	2.7
519.40405	4.5
531.40497	9.5
545.78015	1.9
563.43018	47.3
598.61804	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	598.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10810	0.1
55.05494	0.2
58.06587	2.8
67.05480	0.1
68.04999	0.1
69.07058	2.6
70.06207	0.1
70.06578	2.1
71.07352	0.2
72.08142	0.5
81.03399	0.1
81.07047	0.1
84.08124	1.3
85.02883	0.2
85.08910	3.3
86.09695	2.3
91.05473	0.2
93.07022	0.2
95.04944	0.1
95.08605	0.1
99.10423	0.2
114.12786	100.0
115.13129	0.5
117.06935	0.1
119.04938	0.1
123.58492	0.1
129.27798	0.1
130.08630	0.1
131.04907	0.1
134.05988	1.2
135.04477	0.1
135.06787	0.3
137.05931	0.1
147.04372	0.2
163.03911	0.1
167.07111	0.2
174.09192	0.5
177.05540	0.1
184.07320	0.3
186.09114	0.3
203.11781	1.0
227.21144	2.5
244.08653	0.1
255.20631	10.5
256.20932	0.1
290.06262	0.1
316.20145	1.3
344.19635	4.5
345.19855	0.1
598.30151	0.2
598.39569	3.5
599.25403	0.1
599.40015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
53.99999	2.4
55.01863	3.2
55.05503	28.9
57.03429	24.2
57.07062	7.6
65.03933	3.6
65.83800	3.0
66.05630	3.1
67.05495	100.0
69.03416	7.9
69.07057	25.2
71.04976	10.8
71.08606	7.4
79.05479	71.6
81.03407	79.8
81.07043	95.9
83.04975	18.4
83.08601	21.5
84.04463	3.9
85.06525	5.9
91.05467	68.1
93.07029	73.5
93.07578	5.9
93.52807	2.6
94.07388	2.7
95.04955	33.9
95.08589	68.7
96.08889	2.8
97.02895	3.0
97.06515	11.7
97.10165	13.1
98.21397	6.2
99.08067	5.6
105.07016	48.1
107.04941	11.1
107.08588	48.4
107.86764	2.9
109.06496	10.1
109.10126	32.0
110.03476	3.2
111.04426	3.8
111.08063	5.5
117.07012	10.5
119.08549	41.8
121.06424	3.6
121.10127	40.1
123.08067	6.6
123.11684	9.9
125.09644	3.9
126.17766	3.0
129.06978	10.8
131.08554	26.9
133.06430	4.4
133.10107	26.3
135.08025	3.6
135.11664	24.4
137.09644	8.1
137.13226	5.6
139.11234	3.4
142.07729	6.2
143.08556	6.9
145.10130	17.5
147.07968	5.9
147.11658	21.6
149.09584	6.4
149.13242	13.3
151.11156	4.0
157.10132	18.4
159.11655	13.7
161.13243	10.3
163.11099	3.7
163.14799	4.2
169.09995	3.4
171.11690	6.3
173.09662	2.9
173.13234	10.8
175.11169	9.9
175.14832	6.4
179.14270	9.0
184.67789	2.6
185.13240	5.7
187.14748	4.5
193.12273	17.4
195.11697	3.2
209.13368	3.6
211.13222	4.9
221.15404	4.3
227.12834	6.1
243.21068	8.1
259.20654	3.3
261.22070	15.3
267.15872	83.6
277.21582	5.8
285.16870	17.5
287.18417	8.2
317.24817	4.2
335.25775	85.1
377.27301	3.4
435.32629	6.0
453.33560	9.4
471.34674	6.3
505.35181	4.2
527.37219	45.5
531.36688	9.4
545.38348	40.4
563.39319	19.3
598.38873	4.0
599.25122	3.4
599.40424	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	597.3025
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03934	1.3
55.05503	13.3
57.03429	7.5
57.07062	2.6
65.03913	0.7
67.05494	25.8
69.03412	0.8
69.07059	14.8
71.04971	1.2
71.08601	0.5
78.91299	0.5
79.05479	8.5
81.03409	3.3
81.07043	27.5
83.04964	1.4
83.08606	7.7
85.02903	0.7
85.06489	0.9
91.05464	6.9
92.29060	0.5
93.07032	8.4
95.04975	2.4
95.08591	20.7
96.08943	0.6
97.06506	2.1
97.10153	4.4
98.98448	8.6
99.08057	0.6
105.07008	5.0
105.48175	0.5
107.08578	5.7
109.02213	0.5
109.02866	2.6
109.06491	0.8
109.10142	9.1
111.08050	1.1
111.11698	0.7
119.08575	4.8
121.10123	5.3
123.11683	3.5
125.09577	0.9
127.03887	0.8
129.06982	0.6
131.08618	1.2
133.10112	3.8
135.11670	2.6
137.13225	1.3
143.08482	0.5
145.10115	1.1
147.07968	0.5
147.11702	2.4
149.13225	0.9
155.01013	2.1
157.10046	0.6
159.11681	0.7
161.13231	1.7
163.14793	0.5
167.10666	1.1
171.11636	0.5
173.13104	0.6
175.14799	1.4
181.10173	0.5
207.11700	0.5
233.15298	0.7
245.22560	1.1
261.03720	2.7
263.23636	2.6
287.85913	0.5
294.42136	0.5
301.20364	0.7
317.06375	1.0
337.27313	100.0
338.24115	0.5
338.27515	2.8
425.28854	0.8
597.39166	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	598.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01859	0.6
57.03407	1.1
60.04507	0.6
61.02898	1.3
63.73650	0.5
64.79153	0.5
67.05502	0.7
67.62450	0.4
69.03423	2.6
70.06586	0.8
71.04988	0.6
72.01492	0.5
73.02917	0.6
78.04678	0.8
79.05477	2.6
81.03406	14.0
81.07022	1.0
85.02894	9.8
87.71811	0.6
91.03942	0.8
91.05463	2.0
93.07048	0.8
95.04943	1.8
95.08564	0.6
97.02878	3.4
99.04404	0.9
103.05449	2.3
105.07001	1.8
107.04936	8.5
107.08547	0.7
109.02856	1.6
111.04388	0.5
115.05414	4.8
116.06258	0.7
117.07009	13.0
119.04924	1.1
119.08546	0.7
123.04391	2.9
124.05204	1.6
127.03870	2.5
128.06201	0.9
129.06979	2.2
130.04109	0.6
131.04922	1.8
131.08560	3.3
132.05673	0.7
133.06465	1.7
135.11659	0.8
137.05934	1.1
141.06949	2.1
144.05643	3.0
145.05014	2.0
145.06465	32.9
146.06833	0.5
147.04382	1.2
147.08018	1.1
149.05998	0.7
151.03938	0.8
152.04718	1.5
153.05472	1.1
153.12706	0.9
155.04941	0.6
155.05983	3.0
156.05704	5.7
157.06435	1.7
158.07173	0.9
159.08049	6.5
160.05090	0.5
161.05937	3.7
162.07617	1.6
163.03922	1.2
167.07025	49.0
169.06453	0.8
172.05203	0.5
173.05963	61.6
173.35318	0.5
174.06520	1.0
175.03828	1.2
175.07523	2.1
177.05472	1.1
180.08656	4.9
181.08569	0.7
183.06493	1.3
184.05170	2.1
187.07536	6.0
190.06226	33.8
191.07040	2.9
191.08504	0.5
193.08594	2.3
195.06578	0.8
202.06212	3.9
203.07001	6.7
205.08578	100.0
206.08958	2.0
207.06465	2.6
207.10071	1.0
208.05173	0.6
215.07050	1.1
217.08566	41.6
218.09045	0.8
219.08061	1.8
219.10133	4.1
223.09503	3.1
231.08044	0.8
233.09630	1.2
235.09615	30.3
236.08081	0.5
236.10132	0.5
245.09265	0.6
247.07462	1.3
247.09645	7.1
248.08264	1.2
259.07559	0.6
261.09042	1.1
263.10641	1.5
264.07745	1.4
265.10690	38.0
266.11090	0.7
269.08121	1.1
271.09628	1.3
275.07010	0.8
276.07834	1.2
276.96811	0.6
277.05096	0.5
277.08560	1.0
279.09882	0.6
282.08902	0.9
291.10101	1.5
292.07410	0.6
293.07962	1.2
299.09036	0.7
301.07010	0.7
307.09525	1.1
308.10291	1.0
315.08496	4.7
316.09421	0.7
318.08395	0.6
319.09464	0.7
323.12701	1.8
330.10901	7.2
331.11740	2.7
336.10001	0.7
339.12231	1.2
343.11676	0.7
351.12238	3.3
368.12390	1.0
369.13306	1.1
371.14740	2.7
383.14853	10.0
401.15939	13.2
419.17392	0.9
455.46664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1806
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.03932	3.4
53.95081	2.5
55.01844	7.6
61.02925	2.5
65.03955	2.9
67.05479	2.3
69.03406	3.2
70.69581	8.8
70.69942	3.3
79.05492	3.8
81.03388	6.4
85.02892	20.6
91.05473	5.6
93.03382	15.0
95.04935	7.5
97.02878	11.9
103.03938	3.7
103.05441	3.5
105.03369	7.5
105.06963	4.2
107.04948	28.0
107.23632	2.4
109.02882	13.1
109.03543	2.5
111.04416	7.5
115.05407	3.6
119.04909	11.5
119.09910	2.2
121.02827	25.2
121.06469	9.1
123.04386	9.8
127.03915	2.9
131.04872	5.7
133.06502	4.9
135.04387	21.6
137.05948	2.6
139.03893	6.7
145.02840	3.9
145.06467	5.7
147.04393	21.6
147.08037	2.9
149.02333	7.3
149.05972	3.9
151.03888	6.6
153.01863	5.1
159.04436	12.0
161.02377	4.1
161.05936	9.4
163.03859	10.7
165.01840	8.8
171.04478	4.9
173.02339	7.7
173.05991	13.9
175.00136	3.1
175.03870	3.8
177.01785	18.4
177.05455	8.3
179.03226	4.1
183.02940	5.4
185.04314	2.6
187.03894	11.5
189.01828	28.6
189.05496	3.8
191.03419	17.9
193.01297	2.7
195.02878	43.6
201.01833	5.4
201.05537	13.6
203.03415	16.2
203.05042	2.7
205.01259	9.3
205.04935	9.0
207.02864	44.3
209.04445	7.2
213.05531	2.7
215.03419	16.6
215.24037	2.6
217.01286	3.2
217.04886	6.2
219.02852	94.5
221.00864	5.0
221.04443	8.4
223.02359	11.7
225.03865	21.8
227.03423	8.7
229.04900	18.4
231.02855	53.0
231.06479	3.4
233.04404	25.7
237.03868	25.7
241.04971	4.0
243.02869	29.6
243.06555	7.1
245.04408	9.1
247.06012	5.0
249.03912	17.9
255.02890	10.6
257.04434	22.6
259.02460	5.4
261.03912	100.0
267.02734	2.8
269.04419	7.4
271.02554	3.5
271.06036	8.2
273.03937	42.4
274.36234	3.0
275.05496	4.6
281.04440	4.6
285.03918	42.3
285.07092	3.7
291.04968	26.3
297.03894	16.7
297.07431	12.4
299.05496	12.8
303.04974	32.3
309.03894	6.3
309.07535	6.1
315.04987	11.7
315.08456	3.8
321.05994	23.8
327.04880	46.2
327.08594	27.5
339.08383	39.5
345.06097	12.4
351.08588	18.5
357.05820	11.0
357.09729	6.3
363.07043	34.3
369.05991	7.0
375.07233	7.1
381.09647	48.9
387.07257	10.2
393.09512	33.4
405.08325	46.9
411.10764	14.7
417.10107	8.1
423.10141	34.4
427.10184	4.2
429.11755	44.6
441.11035	48.4
447.05298	3.8
447.10727	39.5
459.12851	40.8
465.11707	10.0
477.11938	9.4
483.12732	23.6
489.11966	4.8
495.12796	20.2
507.12579	10.1
525.13751	16.5
543.14874	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18019	3.0
55.01848	8.1
57.03431	5.0
58.06570	4.6
67.05463	5.6
69.03421	5.6
70.06571	10.0
71.01325	3.4
71.79164	5.4
73.02889	5.6
77.01926	2.5
78.21680	2.5
79.05475	5.1
81.03398	14.3
81.07034	3.5
83.04926	3.9
84.08121	6.5
85.02892	31.4
86.09664	4.6
91.05432	6.7
93.03391	15.7
93.07034	4.1
95.01350	3.4
95.04931	8.8
97.02862	16.4
99.04398	3.5
103.03927	4.5
105.03357	3.8
105.07029	7.1
107.04935	20.7
108.35959	3.0
109.02867	18.7
109.06470	4.5
109.93262	2.8
111.04417	4.7
114.09142	3.8
115.05476	3.5
119.04932	13.0
120.08062	3.9
121.02859	26.5
121.06484	12.6
122.10403	2.8
123.04405	14.0
127.03864	7.6
130.08626	7.0
131.04909	11.7
133.06477	5.0
135.04419	21.3
136.07610	3.2
137.02324	5.4
137.05959	6.7
139.03882	6.1
145.02841	5.6
145.06511	6.4
147.04396	31.8
147.08015	3.3
149.02344	5.7
149.05951	6.0
151.03877	8.9
153.01782	7.9
159.04391	9.8
161.05956	11.5
163.03886	20.2
165.01820	9.4
167.07034	7.6
171.04337	5.8
173.02293	6.0
173.05956	12.8
175.03809	7.3
175.07442	5.9
177.01836	14.4
177.05418	12.2
178.74672	2.8
181.04868	5.2
183.02780	3.7
187.03905	8.0
187.07462	5.8
189.01814	21.4
189.05399	6.3
191.03389	15.8
191.07072	3.1
193.01292	3.0
195.02838	37.0
199.04002	3.2
201.01849	4.8
201.05452	13.3
203.03349	11.1
205.01270	4.1
205.04962	8.1
206.08144	3.6
207.02866	45.2
207.06456	6.7
211.03903	3.2
213.05307	4.3
215.03381	16.9
217.04890	5.1
219.02859	90.9
221.04459	8.9
223.02301	17.7
225.03850	26.5
225.05484	2.6
227.03413	6.6
229.04919	22.9
231.02834	38.3
231.06535	4.0
233.04420	24.3
235.02303	4.4
237.03821	30.8
241.04881	4.1
243.02855	28.7
243.06467	9.1
245.04453	7.3
247.06113	5.5
249.03905	19.5
253.04826	3.7
255.02895	9.3
257.04425	18.5
259.02328	4.6
261.03900	100.0
269.04349	8.2
271.06009	6.1
273.03897	36.6
275.05478	4.9
281.04340	4.1
283.06171	3.6
285.03909	41.1
285.06952	5.4
287.05432	5.6
291.04962	22.7
297.03839	16.3
297.07510	15.5
299.05417	8.4
303.04935	76.6
309.03714	5.8
309.07339	9.5
311.05582	4.3
315.05237	13.1
315.08362	4.1
321.05969	18.6
325.07022	2.9
327.04880	42.7
327.08582	24.3
339.07980	42.6
341.20160	3.0
345.06110	8.2
351.08578	21.5
357.05960	8.0
357.09860	6.8
363.06992	30.5
369.05936	4.2
375.06992	6.8
381.09583	36.6
385.28922	3.2
387.07092	11.6
393.09225	29.1
405.08392	43.0
409.09677	3.4
411.10574	14.2
417.09244	5.1
423.10324	24.9
427.10068	4.3
429.11740	40.7
441.10870	42.6
447.10632	28.3
459.12817	38.9
465.11578	10.3
477.11771	6.8
483.12674	20.9
495.12909	18.5
507.12604	9.6
525.13599	16.9
530.22162	3.3
543.15076	16.4
579.21600	3.3
597.21631	6.0
597.30353	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	597.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01854	5.9
55.05488	1.9
57.03421	4.8
65.03945	5.3
69.03423	5.3
70.06576	7.1
71.78474	2.9
71.78863	2.7
72.08135	2.6
73.02886	2.8
79.05483	4.5
81.03398	8.6
81.07017	2.9
85.02892	22.7
86.09678	2.6
91.05466	3.7
93.03383	11.2
95.04962	8.2
97.02872	13.8
97.06464	2.2
103.03892	4.2
103.05412	2.5
105.03356	4.4
105.07002	2.4
107.04942	21.1
109.02872	14.9
109.06486	2.5
111.04427	4.9
115.05451	2.6
119.04885	6.3
121.02850	22.1
121.06479	10.3
123.04416	15.0
124.03886	2.3
127.03863	4.5
131.04913	7.8
133.02908	3.0
133.06477	6.2
135.04433	17.5
137.02335	4.1
137.05954	6.5
139.03885	4.8
140.06984	2.2
145.02831	4.6
145.06456	5.6
147.04391	25.3
147.08080	2.5
149.02316	4.1
149.05960	7.9
151.03879	12.2
152.07024	2.3
153.01843	4.0
159.04390	8.1
161.02371	2.5
161.05963	10.2
163.03877	12.9
165.01811	9.9
167.06967	4.8
169.06509	2.3
171.04364	3.0
173.02373	4.0
173.05986	10.3
175.00249	5.4
175.03879	7.1
175.07494	2.8
177.01839	15.0
177.05449	12.1
181.04912	3.0
183.02846	4.4
185.05989	4.5
187.03873	10.7
187.07524	3.9
189.01796	21.7
189.05409	4.9
191.03391	15.7
193.01326	2.5
195.02861	40.7
199.03781	2.9
201.01942	4.0
201.05519	11.3
203.03340	11.4
205.01291	6.6
205.04897	6.9
207.02838	41.6
209.04341	4.7
213.05388	4.0
215.03365	12.2
217.04913	6.0
219.02869	78.8
221.00751	4.8
221.04463	8.2
223.02350	15.1
225.03845	29.4
227.03479	4.5
229.04912	17.1
231.02858	42.7
231.06418	3.0
233.04373	21.1
237.03862	23.4
241.05017	3.1
243.02858	31.3
243.06523	6.6
245.04379	7.2
247.05899	4.7
249.03868	28.5
255.02776	9.1
257.04398	16.7
259.02335	3.9
261.03922	100.0
267.02783	2.5
269.04337	9.5
271.06027	7.2
273.03925	38.3
275.05524	5.0
285.03900	41.7
291.04929	29.4
295.06082	4.2
297.03900	15.0
297.07507	12.7
299.05423	10.7
303.04965	33.3
309.03741	4.7
309.07358	9.7
311.05408	3.4
315.04913	6.2
321.05981	21.8
323.05405	3.1
325.07031	2.9
327.04898	46.0
327.08585	25.1
339.08002	34.6
341.06790	2.6
345.05969	8.3
351.08566	19.3
357.05969	6.6
357.09851	5.2
363.07043	31.5
369.05878	5.9
375.07281	9.3
381.09677	34.6
387.07059	9.2
393.09457	25.7
405.08429	32.7
409.09201	4.0
411.10681	15.3
417.09854	7.2
423.09924	20.2
427.10056	4.9
429.11783	40.8
435.11807	4.6
441.10953	35.9
447.10760	25.7
459.12820	33.9
465.11691	9.5
477.11923	6.0
483.12878	16.4
495.12543	15.4
507.12759	10.5
525.14008	15.8
543.14691	15.8
561.15179	3.5
597.24634	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	596.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.05503	14.7
57.03427	6.3
57.07062	3.1
59.04977	0.9
65.03931	1.9
67.05492	58.8
69.07058	9.9
70.06557	1.2
71.04601	1.1
71.04977	17.6
71.05538	1.7
71.08619	0.7
79.05479	27.0
81.03405	1.2
81.07042	80.6
82.07365	0.8
83.04986	3.3
83.08606	6.9
85.06511	5.9
88.07623	0.9
91.05465	22.2
93.07029	32.9
95.04950	3.3
95.08591	23.8
95.09193	1.5
97.06530	3.1
97.10155	2.1
99.08089	0.8
103.87062	0.7
105.07019	12.7
107.08575	17.7
109.06496	2.3
109.10135	10.3
111.08067	2.2
117.06996	4.3
119.08558	6.5
121.10117	13.0
121.60210	0.7
123.08082	0.8
123.11672	11.4
125.09617	0.7
131.08542	7.8
133.10109	14.8
135.11664	7.4
145.10074	3.4
147.11662	1.9
149.09616	0.7
149.13245	6.2
151.11151	5.1
159.11658	3.3
161.13243	1.5
167.60239	0.7
169.12262	1.3
173.13277	1.6
175.14850	0.9
177.12732	1.1
183.13791	2.2
185.68031	0.7
187.13289	3.6
187.14804	1.4
195.13831	1.4
201.14716	0.8
224.19360	0.7
227.16330	1.0
243.21022	1.0
257.17505	1.6
261.22037	2.4
269.17429	4.7
285.17047	0.8
301.20090	16.6
311.29391	2.4
312.32355	1.5
317.24768	0.9
335.25751	39.7
336.26181	0.9
396.98853	0.7
411.32410	0.7
485.36081	1.7
503.37228	100.0
504.37521	2.7
517.38611	4.4
529.39056	5.9
561.41400	55.5
562.41827	1.3
596.59485	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	597.1444
Annotation	Myricetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03931	1.3
54.70054	0.8
55.01861	2.7
55.05494	2.8
56.47832	0.9
57.03437	8.6
59.04992	1.8
61.02922	6.7
67.05499	1.1
68.99768	1.0
69.03418	15.5
70.06585	9.8
71.01331	3.4
71.04989	19.2
71.73630	1.3
71.73965	1.0
72.08134	1.6
73.02909	54.5
74.06039	1.4
75.04468	1.8
79.05471	1.6
80.64911	0.8
81.03394	3.2
81.04500	1.1
82.06522	1.1
83.04971	15.1
84.08144	4.7
85.02896	37.3
86.09694	1.0
86.35714	0.8
87.04469	2.2
89.77158	0.7
91.05470	1.3
95.04947	1.1
95.06040	0.8
97.02883	16.5
98.06061	0.9
99.04451	2.1
100.61700	0.7
101.06030	1.4
103.03914	2.2
107.04942	1.9
107.08575	0.9
109.02853	4.0
111.00775	2.0
111.04432	11.4
114.09158	1.2
115.03922	15.7
117.03385	1.1
119.04923	1.1
119.08524	1.0
121.06483	1.0
125.07046	1.9
127.03882	4.1
129.05469	14.0
129.10217	2.9
130.08609	1.5
131.04907	1.1
133.04962	7.8
133.06555	1.0
136.07579	1.3
137.02336	2.3
137.05963	2.2
139.03903	1.7
140.07112	1.5
143.08105	1.1
145.02841	2.6
147.04465	4.2
147.06506	8.6
149.05936	1.1
151.03889	2.2
153.01828	10.7
153.05490	1.0
157.05035	0.9
159.07983	1.1
161.05969	1.2
163.03882	2.5
163.07419	1.0
164.06982	1.0
165.01791	5.2
165.05478	1.3
167.07021	2.8
171.06528	1.3
176.09102	1.5
177.05428	4.1
179.03352	2.1
181.04912	1.0
183.02754	1.0
195.02942	1.2
199.10727	1.1
203.03412	1.3
207.02885	1.5
207.06480	2.0
209.07986	1.2
210.14796	1.1
217.04919	2.8
225.07465	5.3
226.21336	0.9
227.03400	0.9
243.08620	1.7
245.04465	3.7
251.11667	1.0
253.13130	1.3
259.16476	2.6
261.09665	2.7
273.03894	4.3
287.05441	1.2
301.03192	1.1
303.04950	2.5
314.15814	1.0
315.04681	1.1
318.03775	1.5
319.04456	100.0
331.04465	10.3
333.94537	0.8
343.04434	3.2
357.06146	2.0
361.05490	26.2
373.05063	1.1
381.17047	0.8
385.05380	4.5
394.16077	0.8
411.06830	3.8
417.15784	0.9
428.18747	1.1
429.08112	9.7
447.09189	7.4
455.18222	2.3
456.18616	4.9
465.04007	1.4
465.10266	21.7
529.76099	0.9
550.60339	1.0
596.25824	2.1
597.14447	1.8
597.25732	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	596.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.0
54.27875	2.1
55.05497	9.5
59.04987	3.1
61.02910	2.7
67.05491	9.6
69.03409	7.4
69.07050	8.5
69.07397	2.2
70.06573	7.5
71.04982	34.1
71.78905	3.0
71.79326	2.8
73.06525	2.8
79.05480	17.7
81.03391	7.0
81.07045	31.5
83.04947	4.4
83.08614	5.9
85.02894	27.6
85.06536	2.6
86.09705	3.2
89.03814	2.1
91.05467	21.1
93.07027	23.4
95.04942	5.9
95.08604	19.5
97.02869	7.4
97.06523	7.7
97.10164	2.5
99.04426	2.5
99.08082	7.8
100.49052	2.2
105.07021	47.9
107.04943	4.5
107.08588	26.5
109.02897	5.5
109.10130	10.5
111.08084	2.5
114.09145	2.8
119.04929	6.8
119.08546	15.2
121.06490	4.3
121.10134	14.4
123.11671	7.8
125.09602	37.6
127.03917	8.7
127.11167	8.6
130.08620	5.6
131.04907	5.6
131.08554	7.4
132.05638	2.5
133.06517	3.9
133.10109	83.8
135.04448	2.5
135.11678	6.8
136.07539	2.7
137.06001	7.1
139.04031	2.2
140.39642	2.3
143.10655	86.6
145.02800	3.7
145.04950	9.9
145.10124	16.4
147.04424	11.2
147.11662	18.5
148.04756	3.7
149.13237	19.1
151.11157	7.6
153.05423	3.7
157.10107	2.6
159.11679	14.7
161.05927	3.8
161.13232	8.1
163.03864	11.5
163.05957	3.4
164.04185	2.5
164.15179	2.6
167.07002	12.5
167.14299	47.6
169.12251	7.6
175.03944	6.5
175.14812	3.7
176.09171	5.1
177.05489	4.0
177.09096	2.7
179.14304	2.7
181.04935	4.5
185.15315	2.4
191.07024	3.3
196.05954	2.1
201.16373	12.0
203.17877	3.0
207.06548	9.6
208.06870	4.2
215.07031	2.8
215.32513	3.0
219.17407	100.0
220.17813	2.4
237.18457	23.7
244.13441	2.5
259.09656	5.0
282.17078	3.9
287.05481	19.5
288.05771	26.3
339.12222	8.3
351.12314	3.3
424.62976	2.8
596.21838	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	596.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.9
53.03928	5.0
53.15290	2.2
55.01867	4.3
55.05506	20.7
57.03424	13.0
57.07053	3.3
64.95835	2.5
65.03918	4.0
67.05495	92.0
69.03401	3.2
69.07058	27.6
71.04993	6.9
71.08616	9.4
71.80402	4.2
73.55231	2.5
77.22744	2.3
79.05482	59.6
81.03403	13.8
81.07043	100.0
83.04964	13.3
83.08604	19.0
85.02885	7.3
85.06541	4.8
91.05465	54.7
93.07033	85.1
95.04964	18.4
95.08589	50.6
97.06528	15.9
97.10149	7.6
99.08086	8.7
101.30175	2.5
105.07019	38.1
107.04946	5.9
107.08578	49.6
108.08945	2.7
109.06509	5.8
109.10115	14.7
111.08073	7.7
113.06004	2.6
113.09663	2.7
117.07007	16.0
119.08556	25.4
121.06503	3.3
121.10126	32.1
123.08081	5.7
123.11697	4.5
128.76732	2.4
129.07004	4.7
131.08546	20.9
133.10104	24.1
135.08060	4.0
135.11676	23.6
137.09628	2.7
141.09251	2.7
143.08479	5.4
145.10089	14.3
147.11674	15.1
149.09599	9.0
149.13222	21.0
151.11092	5.4
154.78354	2.8
157.10182	6.2
159.11696	15.7
161.13243	8.3
163.11189	8.7
171.11696	4.3
173.13248	3.2
175.11256	4.3
177.12738	5.6
179.14288	30.4
193.12173	6.5
195.13817	13.5
199.14661	2.8
211.13213	8.8
213.14775	2.8
226.28760	2.5
227.12738	3.3
253.14287	3.0
255.15938	6.2
257.18890	4.2
259.20517	4.3
267.15894	7.5
269.17450	55.0
275.19998	18.4
277.21616	20.8
285.16980	14.4
333.24341	2.9
335.25812	2.6
349.23636	12.4
351.25381	15.5
372.83173	2.8
449.28925	22.6
463.30472	75.8
543.36884	26.8
561.37708	42.6
578.37640	3.0
596.43237	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	595.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01628	0.6
69.70181	1.0
69.70588	4.2
85.02905	1.5
96.37091	0.7
114.09126	1.4
123.04423	1.2
127.03882	4.1
131.15608	0.6
135.04413	1.1
137.05988	1.1
138.05510	1.7
139.03873	4.2
146.35719	0.6
151.03902	0.9
160.09706	1.9
161.02840	0.9
163.03877	1.6
170.00008	0.7
173.02959	0.7
191.03470	0.6
203.03546	0.8
216.05437	1.9
219.01735	0.7
221.03464	0.7
231.23103	0.6
234.06577	1.0
245.05013	1.2
247.06006	2.3
252.93375	0.8
271.06039	1.0
275.05667	1.1
287.05450	1.0
289.07120	0.8
301.07147	1.8
357.13388	1.8
409.09094	1.1
540.17725	0.8
553.36731	0.6
595.17810	100.0
596.18292	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
55.05502	8.2
57.03188	0.7
57.03427	7.7
57.07059	0.9
65.03914	1.4
65.67064	0.5
67.05125	0.9
67.05492	27.8
69.07052	7.0
71.04977	1.7
79.05481	15.0
81.03414	3.2
81.07043	28.0
83.04972	1.0
83.08607	2.2
85.02876	0.7
85.06522	1.1
88.90311	0.5
89.92067	0.5
91.05460	6.9
93.07030	17.3
95.04957	1.8
95.08591	18.9
97.06510	1.5
97.10126	1.3
98.98450	10.0
99.04445	0.8
105.04467	0.5
105.07011	4.2
107.08578	9.7
107.99197	0.6
109.02847	3.3
109.06502	1.0
109.10133	8.2
111.08028	0.5
112.89647	0.4
117.06970	1.5
119.08565	4.3
121.10124	6.1
123.08064	0.5
123.11677	2.5
127.03834	0.7
131.08546	2.6
133.10086	3.3
135.11673	3.7
137.09576	0.7
137.13246	0.6
141.13594	0.4
141.50897	0.4
145.10143	2.4
147.11650	1.6
149.09604	0.4
149.13222	1.7
155.01015	1.8
159.11655	1.1
161.13206	1.1
163.06026	0.7
163.14853	1.0
173.02043	0.5
173.13220	1.4
175.14790	0.6
179.40314	0.5
243.21001	0.9
261.03677	3.5
261.22104	2.6
287.05432	1.8
317.24664	1.0
335.07339	1.5
335.25745	100.0
336.26218	2.6
352.20267	0.5
430.76660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.88144	0.1
51.13947	0.1
53.03944	0.2
55.05503	0.2
57.03429	1.4
61.02919	1.8
65.03953	0.1
68.99797	0.3
69.03418	0.4
70.34594	0.3
70.34988	0.2
71.01326	0.1
71.04983	9.6
73.02911	0.6
75.04472	0.6
78.21418	0.1
81.03404	0.2
83.04974	0.4
85.02895	13.4
87.04469	0.3
91.03944	1.1
95.04926	0.1
97.02882	0.9
97.78947	0.1
98.21342	0.1
98.50803	0.1
99.04462	0.2
105.03388	0.2
107.04972	0.3
109.02883	0.2
111.00793	0.6
111.04420	0.4
115.03938	0.1
121.02854	1.9
126.52348	0.1
127.03908	0.6
129.05460	3.0
133.02817	0.4
137.02327	0.5
145.04956	0.4
147.04395	0.4
147.06497	1.1
153.00612	0.2
153.01816	2.3
157.06503	0.3
165.01830	1.2
171.04330	0.1
183.02861	0.7
185.05965	0.3
187.88501	0.1
197.05962	0.2
203.07063	0.2
213.05437	0.9
217.04994	0.1
231.06441	0.5
241.04872	0.7
258.05246	0.9
259.05994	0.3
269.04456	0.2
287.05457	100.0
288.05832	1.0
299.05563	0.1
329.06537	0.2
353.06284	0.1
449.10526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80847	0.1
53.03929	0.1
55.01863	0.1
55.05501	0.1
57.03430	1.4
57.48464	0.1
61.02900	0.5
61.15815	0.1
68.99793	0.2
69.03430	1.1
71.04985	8.6
71.24509	0.2
71.24835	0.2
72.59238	0.1
73.02894	0.4
73.17914	0.1
75.04457	0.4
81.03408	0.5
83.04970	0.4
85.02895	13.7
87.04440	0.3
91.03928	0.2
97.02886	1.1
99.04451	0.3
102.60680	0.1
109.02866	0.4
111.00794	0.4
111.04419	0.4
118.32748	0.1
121.02853	1.1
127.03915	0.9
129.05463	3.0
133.02850	0.2
137.02290	0.4
145.04968	0.8
147.04451	0.3
147.06496	0.8
153.01819	1.8
157.06480	0.1
162.37709	0.1
165.01819	0.9
168.37572	0.1
183.02950	0.3
185.05927	0.2
203.06967	0.2
210.31184	0.1
213.05373	0.6
231.06569	0.4
241.05000	0.4
258.05237	0.4
259.05899	0.2
269.04431	0.2
287.05466	100.0
288.05768	1.0
329.06552	0.3
435.50601	0.2
449.10672	0.6
491.55005	0.1
608.25909	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1441
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
52.69208	0.6
53.66201	0.7
55.01867	2.0
60.99540	0.6
65.03931	1.4
67.05494	0.7
68.99786	4.8
70.06564	0.6
71.58871	1.4
79.05486	0.7
81.03411	2.1
85.02942	0.8
93.03356	0.6
95.04969	1.4
105.03409	0.9
107.04950	4.2
109.02883	3.0
111.00777	3.0
111.04430	2.6
117.03368	0.9
118.06482	1.0
119.04855	0.7
121.02850	1.7
123.03500	0.8
123.04414	23.4
127.03900	100.0
128.04259	1.1
131.04909	2.9
133.02856	0.9
135.04395	31.8
136.04733	0.7
137.02348	3.5
137.05963	0.7
139.03883	96.6
140.04225	1.4
141.06946	0.7
145.06429	0.7
146.05977	4.6
147.04398	1.7
149.02321	4.6
149.05968	2.3
150.02898	0.7
151.03900	14.9
153.05464	0.7
153.06828	0.6
155.04955	0.9
157.06488	0.7
159.04398	3.6
161.06001	2.1
163.03893	47.7
164.04359	0.9
165.05453	1.2
167.03383	7.8
169.04942	1.8
169.06412	1.2
173.05981	3.4
175.03839	3.7
177.05429	6.8
179.03360	3.7
181.04964	3.5
181.06334	0.9
183.04362	1.2
185.05994	1.5
187.03836	6.8
187.07498	0.9
188.07036	7.7
189.05438	1.6
191.03383	12.6
193.04913	3.1
195.06490	0.8
197.05959	3.4
201.05424	7.8
203.03374	9.9
203.06964	1.9
205.04922	4.3
205.09691	4.1
213.05414	2.3
215.03384	1.6
215.07013	2.8
217.04893	2.0
219.06525	0.9
223.05966	1.1
225.05408	1.5
227.07057	0.9
229.04941	10.8
231.06445	2.3
233.04442	7.7
241.04961	2.5
243.06538	3.7
245.04430	7.9
247.06000	46.3
248.06367	0.8
251.05431	2.6
253.04863	1.1
255.06444	2.8
257.04410	14.5
258.05020	1.2
259.06021	10.4
269.04330	2.5
271.03281	1.3
271.06009	17.1
271.08975	0.9
273.07471	1.2
275.05487	17.0
283.05945	7.0
285.00949	0.6
287.05463	23.6
288.05823	0.7
289.07034	18.3
297.07553	1.5
299.05502	2.6
301.07037	23.0
302.07330	0.7
307.04926	1.0
307.08109	11.2
319.08005	2.3
407.07346	1.9
409.09158	18.0
425.08698	11.1
427.10199	12.1
437.08121	0.9
443.09799	5.6
451.10144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23953	1.5
78.74652	0.3
82.14554	0.3
83.05489	0.3
83.43867	0.3
87.61421	0.3
94.38190	0.3
174.83481	0.3
184.64746	0.3
250.86699	0.3
259.12323	0.3
389.17615	0.8
401.17850	0.6
402.18335	1.0
403.19141	2.8
404.19821	1.3
405.20697	1.2
415.19177	0.5
416.20471	0.7
417.16095	0.4
417.21136	4.3
418.21805	1.9
419.22253	3.2
429.47318	0.3
430.17368	0.8
431.17981	7.1
431.23364	0.7
432.18622	2.4
433.24030	7.7
434.24606	1.1
445.19821	10.2
446.20700	5.0
446.26114	0.3
447.21591	4.6
449.23132	0.6
459.21442	3.3
460.22504	13.1
461.23221	12.9
462.23798	0.6
473.23486	2.4
474.23914	1.0
476.25336	1.0
477.21774	0.5
477.27197	0.4
487.24652	1.1
488.25766	0.4
489.26660	0.7
491.24237	1.0
492.25281	1.4
505.21545	4.5
515.24213	0.4
518.23169	0.6
519.23975	0.6
521.21765	0.4
533.25391	46.7
534.25616	2.2
547.26898	0.3
561.24255	0.4
564.23309	0.5
565.27759	1.0
593.27472	100.0
594.27740	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	594.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05504	14.5
57.03438	8.8
59.04992	1.1
59.71999	1.0
64.17194	1.0
65.61838	1.3
67.05497	15.6
69.03410	3.3
69.07063	5.6
71.04976	4.4
79.05479	20.8
81.03409	51.0
81.07048	19.5
83.04978	5.9
83.08605	16.1
85.02908	1.4
85.06532	1.1
91.05460	15.6
93.07029	13.5
95.04956	17.4
95.08596	9.9
97.02873	2.4
97.06521	3.4
97.10154	17.2
99.08069	1.1
105.07027	12.7
107.04932	13.7
107.08582	9.6
109.02884	1.1
109.06493	8.6
109.10140	4.2
111.04440	1.3
111.08055	5.1
113.83996	1.1
115.05406	1.2
117.06986	3.9
119.04936	1.6
119.08557	10.6
121.06489	9.5
121.10121	8.6
123.08051	4.3
123.11680	1.8
125.09614	13.9
129.06981	7.3
131.04880	1.1
131.08542	10.1
133.06461	2.6
133.10101	3.9
135.08025	5.9
135.11668	1.7
137.09610	1.4
139.11159	1.4
141.06963	1.1
141.74919	0.9
142.07738	1.6
143.08571	2.0
145.06461	5.7
145.10114	4.5
147.08028	4.2
147.11636	7.0
149.09599	4.7
151.07559	1.1
153.09091	2.9
157.10100	5.4
159.07988	1.7
159.11623	1.5
161.09572	2.2
163.11131	3.1
167.10640	1.6
169.10069	2.4
171.08031	3.2
171.11632	2.5
173.09636	1.4
175.11169	4.6
183.11708	1.5
185.13234	1.4
187.11220	1.5
189.09535	1.0
189.11203	7.1
189.12712	1.8
191.14282	1.2
193.12199	16.0
195.11720	1.8
197.13072	1.0
205.12238	1.5
210.10806	1.0
211.13205	1.4
215.14308	2.6
217.12309	1.4
219.13802	3.4
223.11261	1.1
223.13193	1.3
227.14394	2.1
233.15454	5.3
233.17340	1.3
237.12679	1.8
239.14325	1.4
245.15334	1.5
249.14847	1.2
255.13797	1.7
259.13190	1.8
267.15878	36.6
269.15109	1.0
273.14627	4.9
293.17380	2.8
339.23157	2.2
349.21597	3.7
357.24170	1.7
366.92404	1.3
367.22580	15.1
385.23697	25.8
403.24796	10.2
405.23969	2.0
441.26120	7.2
459.27374	100.0
460.27817	6.3
477.28418	81.8
478.28882	5.7
491.29800	13.1
509.31372	5.2
541.33618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2749
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.30934	0.2
63.03761	0.2
69.27235	0.2
71.05669	0.6
71.06037	0.4
75.40538	0.2
79.03879	0.2
87.99732	0.2
157.70012	0.2
181.67149	0.2
229.50800	0.2
298.55054	0.3
366.98080	0.2
387.16287	0.4
389.17627	0.9
401.17557	0.4
402.18433	0.8
403.19229	1.7
404.20120	0.9
405.20642	1.6
415.18942	0.3
416.20432	0.4
417.16614	1.0
417.21536	2.6
418.21814	1.3
419.22253	3.4
420.22943	0.3
430.17905	1.1
431.18158	6.9
432.18515	1.7
433.24139	4.6
434.24652	1.0
444.19055	0.5
445.19864	7.3
446.20575	3.8
447.21616	3.7
459.21338	2.8
460.22571	7.7
461.23193	6.1
473.23807	1.6
474.23657	0.5
477.22519	0.3
487.25055	0.7
489.26422	0.5
491.24216	0.9
492.25140	1.1
503.24777	0.3
505.21997	4.2
515.24390	0.3
519.23962	0.7
533.25439	20.8
534.25702	1.3
564.24182	0.4
565.27911	0.4
593.27509	100.0
594.27692	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	592.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.1
55.05503	11.6
55.55312	2.1
57.03426	4.5
65.03925	2.6
67.05495	35.5
69.07043	10.6
69.85506	5.2
69.85917	10.1
71.08273	3.0
71.08618	24.1
79.05483	47.3
79.88162	1.9
81.03397	6.3
81.07038	37.9
83.04952	9.3
83.08598	8.9
91.05472	33.4
93.07030	49.7
95.04945	12.4
95.08596	27.9
97.06519	5.5
97.10175	3.4
99.08072	10.4
105.04568	1.9
105.07028	21.5
107.04948	6.4
107.08584	24.1
109.06512	4.6
109.10155	5.9
113.09709	2.1
117.06989	6.5
119.08581	18.0
121.10134	11.8
123.08029	3.6
123.11736	2.3
129.07010	6.4
131.08586	2.4
133.10112	12.2
135.11670	18.7
141.09074	2.9
143.08548	4.1
145.10033	5.7
147.11697	14.8
149.13275	1.9
151.11171	6.8
158.13319	2.0
159.11650	5.1
161.09557	2.7
161.13235	10.1
163.11140	4.8
167.10573	2.0
171.11667	5.9
175.14845	2.0
179.14284	48.3
185.13316	2.3
189.12744	3.9
207.13716	8.3
259.20639	2.3
277.21600	39.6
281.17426	49.4
351.25299	20.2
352.25421	2.2
363.03333	2.2
526.23724	2.7
557.38300	100.0
558.38397	5.7
592.26483	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	592.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
55.05499	19.3
57.03428	7.9
57.07064	23.9
58.60580	1.2
67.05495	27.8
68.92655	1.1
69.07065	7.8
69.49660	2.9
69.50077	10.9
70.26968	1.2
71.08619	13.9
79.05479	10.0
81.03423	1.3
81.07045	16.7
83.04970	1.5
83.08603	7.8
83.09039	1.6
85.02897	5.8
85.06529	1.4
85.10165	7.3
86.11445	1.2
87.04444	4.2
91.05463	4.3
93.07034	5.9
93.20770	1.2
95.08598	12.5
96.08921	1.4
97.10149	11.4
103.07497	1.3
107.04941	1.1
107.08579	7.6
109.10146	23.1
115.24146	1.1
119.08542	2.7
121.10105	2.8
125.09616	9.3
131.54582	1.5
135.11662	1.4
143.10651	2.2
147.11687	1.5
155.10672	1.3
166.29938	1.3
173.11742	7.7
199.13292	7.5
203.19638	1.2
205.01355	1.2
209.11635	1.6
227.12784	3.8
229.14316	23.4
239.23689	2.3
262.22723	1.4
301.16388	6.7
313.27301	47.1
314.27695	4.1
335.25903	1.9
336.26099	1.9
341.26813	2.4
396.09796	1.2
403.19031	2.5
417.21039	2.4
419.22281	2.5
431.18088	6.6
432.19116	2.0
433.23651	5.1
437.36206	1.9
445.20050	10.8
446.20923	4.6
447.21805	3.8
455.37161	4.6
459.21881	3.0
460.22479	9.2
461.23419	9.2
467.37396	10.9
473.23010	1.8
505.22180	4.0
533.17761	2.3
533.25427	31.2
539.39496	2.8
574.48767	2.1
581.25116	1.3
592.26447	2.1
593.27478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.312
Annotation	Daechuine S27
Peak:m/z	Relative Intensity
55.05498	1.5
56.05028	1.5
58.06592	84.8
59.06930	0.4
67.05499	0.6
68.05013	1.1
69.03425	0.5
69.05814	0.9
69.07036	0.6
70.06578	1.4
72.08154	3.8
81.03409	0.8
81.07038	1.0
85.02892	0.5
86.09700	0.6
91.05479	1.5
93.07055	0.8
95.08595	0.6
96.08089	0.6
100.07610	3.2
100.58941	0.4
103.05447	1.3
105.07047	1.5
109.06535	0.5
114.09161	2.2
117.07044	0.5
119.08589	0.6
120.08089	16.0
121.06474	0.7
128.07050	0.7
130.06532	2.3
130.08600	0.5
132.08055	0.9
133.10167	0.5
134.09608	1.0
135.08090	0.6
136.05164	0.7
136.06166	0.7
136.07536	0.7
142.08641	0.7
144.08046	3.0
145.06438	0.6
145.10123	0.5
147.04411	2.1
147.11668	0.8
148.05177	2.4
149.05942	1.0
150.05449	0.6
157.13345	12.9
159.07999	1.1
160.09668	1.2
161.05971	1.0
161.08363	0.5
162.09117	2.3
164.07094	1.8
165.07811	10.3
166.08607	2.5
170.09669	3.2
171.10410	21.2
172.05205	1.0
172.07532	4.5
172.11197	6.1
173.08342	1.0
175.07547	4.8
176.07056	0.7
184.07487	0.6
185.08357	1.1
185.12840	10.8
187.07553	1.2
189.07751	0.9
190.08672	0.5
193.09775	1.3
198.09177	1.3
200.07030	0.9
201.07848	1.8
204.10173	46.9
205.10519	0.5
215.11757	4.8
216.10172	25.3
233.12830	20.9
243.11304	1.0
266.11725	1.0
268.13571	0.6
292.18848	0.5
306.14819	1.1
335.17575	1.7
342.18149	0.7
351.16956	1.9
366.00900	0.5
380.19638	31.4
381.20447	0.5
399.20407	0.5
408.19131	100.0
409.19312	2.2
430.31680	1.7
507.25778	3.0
592.31238	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	591.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08302	0.9
53.03952	1.5
55.01883	1.1
55.05507	13.5
57.03428	12.7
57.07070	40.0
57.13318	1.1
65.03911	1.5
67.05496	57.5
69.06721	1.6
69.07058	13.5
69.60370	9.7
71.04988	1.3
71.08628	25.9
73.97633	0.9
79.05020	1.5
79.05482	29.6
81.07047	63.3
83.08607	12.9
85.06502	1.3
85.10162	14.2
89.06048	1.4
89.46017	1.0
89.46553	1.2
91.05469	16.5
93.07036	38.2
95.04978	3.4
95.08597	59.8
97.10178	6.7
98.20703	1.7
99.08086	1.8
105.07014	12.9
107.08575	28.5
109.06506	1.9
109.10147	23.3
110.54646	0.9
111.08093	1.7
117.07009	6.9
119.08552	11.7
121.10131	19.1
123.08076	1.2
123.11694	11.7
131.08568	13.0
133.10110	10.1
135.11681	15.6
137.13237	4.2
145.10117	9.2
147.11673	6.7
149.13237	9.7
151.14876	2.1
153.12762	1.2
159.11687	8.4
159.24585	0.9
161.13232	6.1
163.14810	6.8
165.33406	0.9
171.11693	1.3
173.13226	7.1
175.14804	1.7
177.16316	1.8
187.14832	4.0
233.22656	2.4
239.23700	3.9
243.21063	11.4
257.24701	1.9
261.22125	59.2
262.22455	1.8
277.21716	1.1
279.23239	2.0
291.23151	1.3
313.27328	100.0
314.27731	2.2
317.24670	11.0
335.25769	64.7
336.26242	1.6
499.44449	1.3
517.45129	1.4
541.80188	1.1
573.48718	25.2
591.49677	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	591.2594
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05481	0.3
60.24340	0.3
67.05493	0.6
71.40503	0.5
79.05492	0.4
81.07043	0.7
93.07028	0.3
93.22820	0.3
95.08580	0.3
107.08628	0.4
109.10133	0.4
119.08578	0.3
121.10143	0.3
129.06996	0.3
133.10130	0.3
145.10167	0.3
150.30411	0.3
169.10176	0.3
181.10153	0.3
185.13156	0.3
246.58774	0.3
270.21478	0.3
270.48480	0.3
280.32742	0.2
400.16956	0.4
401.17657	0.7
413.17514	0.4
414.19080	0.4
415.19101	3.3
416.19949	1.4
417.20599	0.6
428.19662	0.7
429.20819	4.7
430.21558	3.6
431.22385	1.2
433.24063	0.6
443.22870	2.3
443.53214	0.3
444.23627	4.0
445.24118	3.6
448.26205	1.1
457.20337	0.9
458.19962	0.5
458.24979	0.9
459.21246	1.9
459.25705	2.7
471.21783	0.7
472.22443	2.9
473.23459	4.4
474.24173	2.0
475.24942	1.0
476.22055	0.4
485.23337	1.3
486.24356	0.4
487.24893	18.5
488.25354	1.2
489.22943	1.9
500.22079	0.5
503.25092	1.6
513.22778	0.3
515.24402	0.7
517.22015	0.5
518.23285	0.6
530.01660	0.4
531.23840	13.5
532.24640	4.8
563.26477	0.6
576.23444	0.4
591.25940	100.0
592.26343	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	591.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52457	1.7
53.03950	6.5
55.01863	19.0
55.05501	52.0
57.03436	12.9
57.07077	2.1
59.05003	5.0
61.02908	2.7
65.03946	5.8
67.05495	100.0
69.03420	10.3
69.07054	28.6
71.04982	21.2
71.05331	2.4
72.40123	1.9
79.05481	84.0
81.03405	32.5
81.07043	78.8
83.04983	16.8
83.08611	30.2
85.02922	4.7
85.06553	8.1
90.14280	1.8
91.04100	1.9
91.05467	66.3
91.06007	3.7
93.07030	71.1
95.04955	26.4
95.08596	47.3
95.09170	3.0
97.02882	2.7
97.06506	22.8
97.10155	32.8
97.70521	1.8
98.21466	2.8
99.04425	2.1
99.08074	2.6
103.05466	3.1
105.07009	56.8
106.07410	1.9
107.04946	21.1
107.08578	57.4
109.02905	1.8
109.06490	14.0
109.10143	37.8
111.04464	5.0
111.08090	8.9
111.89210	2.1
113.05994	2.4
115.05436	4.3
117.06998	27.8
119.05000	2.6
119.08561	43.2
121.06485	13.4
121.10126	37.3
123.08066	9.2
123.11684	9.4
125.09618	33.9
125.10462	2.3
128.06264	5.5
129.06978	20.8
130.07765	2.5
131.04910	2.7
131.08557	38.2
133.06544	7.1
133.10110	32.3
135.08015	14.6
135.11671	19.9
137.05878	2.8
137.09645	7.7
139.07614	2.8
139.11215	4.5
141.07036	5.6
142.07794	2.6
143.08554	19.8
144.09335	2.0
145.06541	7.7
145.10107	33.5
145.11176	2.3
147.08080	8.4
147.11681	29.2
148.34538	2.2
149.09596	28.2
149.13310	5.0
151.11205	3.6
153.09126	4.8
153.12807	3.6
154.07776	2.8
155.08511	8.8
155.69724	1.9
157.10101	19.5
159.08151	6.9
159.11661	19.0
159.12701	1.7
161.05946	2.2
161.09595	9.1
161.13290	9.7
163.11172	21.4
165.09108	3.0
167.10712	3.1
169.10129	10.0
171.08122	3.2
171.11609	14.3
173.09709	8.4
173.11821	4.3
173.13333	8.5
175.11137	11.6
175.14914	3.2
177.12852	4.4
179.08643	2.9
181.10141	4.1
181.12228	4.5
183.11777	8.6
185.09682	2.2
185.13191	9.9
187.11246	8.2
187.14806	3.4
189.11293	13.8
189.12796	3.7
189.16435	2.6
191.10709	9.2
192.18353	2.1
193.10396	3.4
193.12137	13.4
195.11879	5.2
197.09622	2.1
197.13414	3.9
199.11330	4.0
199.13286	4.5
199.14919	4.6
201.12852	2.2
205.12340	2.9
207.11809	3.8
209.11629	3.4
209.13438	4.3
211.13295	5.7
211.15016	2.8
215.14525	2.9
219.13774	2.3
223.13324	2.7
227.12692	36.3
229.14410	4.8
233.15431	4.1
239.17995	2.9
241.14392	4.1
243.15970	2.3
249.14975	4.4
255.15805	2.9
257.19217	3.0
259.15402	11.3
259.20749	8.6
267.15851	17.0
273.18716	9.8
275.20093	13.5
281.19113	3.9
283.15601	5.6
289.18390	2.3
291.19501	26.1
291.22113	2.0
297.22324	8.0
299.20114	8.9
301.21698	5.1
313.21771	7.0
315.18204	2.9
315.23074	9.4
317.21317	6.9
329.21545	2.5
331.22861	3.0
333.24438	5.4
345.24799	2.2
347.22379	3.5
349.23798	9.8
365.23676	3.7
367.22705	3.1
373.23959	3.0
375.25485	2.8
387.25470	3.1
395.23935	2.3
421.26059	3.2
429.26364	3.9
431.29483	4.3
437.25363	3.6
447.27792	5.4
449.30295	10.5
467.31543	12.0
485.33078	6.9
499.33981	2.2
513.35950	2.5
523.34460	8.0
533.35242	3.2
541.35205	53.0
559.36237	34.0
573.38171	26.2
591.39209	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	589.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85473	1.2
53.03930	2.2
55.05503	15.2
57.03421	10.4
57.07066	39.3
59.51431	1.1
67.05491	39.9
67.06270	1.1
69.07056	19.2
70.09243	7.0
71.04954	1.6
71.08618	26.3
79.05479	30.7
81.07044	42.1
83.04964	1.5
83.08601	15.2
85.06515	1.6
85.10172	15.3
89.06034	1.7
91.04908	2.3
91.05463	40.0
93.07027	36.8
95.04950	3.2
95.07991	2.7
95.08589	40.6
97.06509	3.4
97.10149	7.2
99.08073	2.4
105.06316	2.5
105.07012	51.5
107.08578	19.8
109.06482	2.0
109.10148	18.0
111.08067	1.3
111.11684	1.4
113.09632	1.5
117.06999	12.5
119.08563	39.0
121.10107	15.8
123.11669	5.0
124.47591	1.1
125.09603	1.3
129.06963	4.9
131.08528	15.2
133.09166	2.3
133.10109	34.3
134.10486	1.2
135.11673	20.4
137.13153	2.0
143.08508	5.6
145.10106	14.7
147.11659	38.5
149.09589	2.0
149.13245	10.6
157.10085	6.2
159.11693	16.0
161.13222	23.4
163.11137	2.1
163.14774	2.7
171.11636	9.1
173.13239	10.3
175.14757	10.6
177.12717	1.8
185.13208	7.7
187.14825	2.7
199.14781	6.5
201.16336	1.4
213.16362	3.1
215.17880	1.8
217.19478	1.6
231.20966	8.2
239.23682	4.9
241.19472	36.4
242.19862	2.5
243.21024	2.2
259.20535	90.8
260.20834	4.9
269.45517	1.4
277.21466	2.1
311.25800	2.3
313.27310	100.0
314.27673	5.5
315.23013	8.5
333.24188	52.1
334.24493	1.6
335.25787	1.6
571.47229	9.9
589.48248	23.6
590.48553	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	590.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06306	0.9
53.03928	2.1
54.09501	1.0
55.05506	6.1
56.50024	0.8
57.03193	1.2
57.03430	12.6
57.07066	30.0
60.09158	0.8
67.05497	13.6
69.07056	7.4
70.69685	0.9
70.97976	2.6
71.04959	1.4
71.08250	1.0
71.08621	21.4
79.05482	9.1
81.03404	59.3
81.07047	15.8
83.04959	4.3
83.07080	0.8
83.08610	18.4
85.06520	1.2
85.10172	12.3
89.06008	1.7
91.05453	10.7
93.07047	4.8
95.04952	16.9
95.08593	17.4
97.02859	1.3
97.10151	5.0
99.08038	0.9
99.11688	1.4
103.07572	0.9
105.06993	9.0
107.04918	4.1
107.08567	2.9
109.06535	1.9
109.10123	6.9
111.04440	1.1
111.08086	5.4
111.11707	1.3
119.08546	8.1
121.06502	1.8
121.10093	3.5
123.11671	2.9
129.06973	5.7
131.08583	6.1
133.06439	1.6
133.10077	2.6
136.30951	0.8
137.13176	1.8
142.07773	1.6
147.07991	2.1
147.11662	7.3
149.09596	4.2
157.10095	8.5
165.12802	1.7
175.11166	7.1
190.99515	0.9
193.12215	19.4
207.21259	0.9
239.23856	2.1
249.14842	1.4
257.24530	1.5
267.15869	100.0
268.16214	2.3
313.27307	92.6
314.27707	4.0
380.79657	1.0
381.97815	0.9
417.12915	0.9
424.66507	1.0
505.38800	86.3
506.39313	4.7
510.85403	1.0
531.01013	1.1
590.49365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
53.31421	1.4
55.01853	4.1
55.05506	9.8
57.03424	13.2
57.07066	8.6
59.04979	2.6
61.02915	12.4
63.36792	1.7
65.03932	3.4
67.05491	23.5
69.03417	15.6
69.07060	39.0
70.07394	3.0
71.01339	4.2
71.04990	2.0
71.08627	3.5
71.79482	2.5
73.02902	100.0
74.03225	8.4
75.03326	2.2
79.05470	18.6
80.05800	2.6
81.03394	3.3
81.07042	53.3
82.07377	5.2
83.04996	3.1
83.08609	12.4
85.02882	8.7
85.06541	2.9
87.04446	1.7
87.61002	1.6
91.05462	15.8
92.05826	3.0
93.07034	39.8
94.07388	3.4
94.93786	2.0
95.04951	5.8
95.08589	63.2
96.08931	6.8
97.02872	13.3
97.06515	6.5
97.10126	5.0
105.07006	27.2
106.07344	4.6
107.08572	53.3
108.08904	6.4
109.06514	5.9
109.10136	66.3
110.10479	6.3
111.08076	4.2
111.11716	4.6
115.03922	20.6
117.07005	4.6
119.08556	35.5
120.08899	7.3
121.06461	2.8
121.09253	2.7
121.10123	49.9
121.10958	3.3
122.10463	5.5
123.08052	4.0
123.11680	47.6
124.11992	11.7
125.05954	2.1
125.09608	4.7
125.12350	2.3
125.13216	2.9
127.03918	2.7
131.08557	9.7
132.08960	2.0
133.04933	4.9
133.10109	39.2
134.10466	6.8
135.08052	5.2
135.11674	43.1
136.12027	6.0
137.05974	4.8
137.13243	11.7
138.13557	1.7
139.07520	3.4
143.08524	5.6
145.10117	21.8
146.10458	3.3
147.04503	2.6
147.11678	22.9
149.09639	4.0
149.13242	18.0
150.13638	2.8
151.07570	1.8
151.11124	2.1
153.09128	4.0
157.10098	7.4
159.11696	22.2
160.12003	5.0
161.09598	3.5
161.13235	16.2
162.13658	3.3
163.07489	2.0
163.11163	3.8
163.14824	14.6
165.09109	3.5
165.12645	2.1
169.10156	2.4
171.11679	7.7
173.13232	15.5
174.13472	3.0
175.14807	12.0
177.09059	3.2
177.16374	8.1
179.10669	6.1
181.12230	2.5
183.11618	3.7
185.13283	7.2
187.14792	17.0
188.15163	3.7
189.16394	15.4
190.16724	2.1
191.10675	3.9
191.17894	26.3
192.11098	1.8
192.18326	4.6
193.12202	2.1
197.11606	2.2
197.13257	3.8
198.13458	1.9
199.14793	5.0
201.16307	10.0
202.16698	2.7
203.14314	2.4
203.17958	7.9
204.18272	1.9
207.13696	3.3
207.17467	2.4
211.14844	3.0
213.16376	5.4
215.17870	3.8
217.15898	3.6
217.19431	5.6
219.13705	2.6
225.16357	3.1
227.18005	4.0
229.15846	2.8
229.19540	5.5
231.13567	2.7
231.20985	2.6
233.15315	4.9
237.16568	1.9
241.19618	4.1
243.21075	4.8
245.15355	2.6
247.16919	10.7
248.17265	3.6
249.14908	2.4
249.18338	5.8
255.20953	4.8
269.22571	2.8
311.27148	1.9
313.21817	3.8
315.22958	7.5
317.24524	1.9
327.23282	1.9
343.26279	4.1
353.27872	2.1
365.27756	2.1
369.27817	4.8
371.29388	24.9
379.33401	4.0
383.29379	7.3
403.33426	3.0
411.36017	2.5
421.34512	8.1
437.34033	3.5
438.34326	4.9
439.35501	61.1
449.28830	4.9
457.36209	7.2
553.38916	2.4
561.41290	3.6
571.39465	6.0
589.32477	2.8
589.40479	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.4
55.01867	8.6
55.05262	2.2
55.05504	32.9
57.03429	7.4
57.07063	2.0
60.04618	1.5
63.68172	1.3
65.03935	1.9
66.09935	1.4
67.05496	54.3
69.03417	8.0
69.07057	30.1
71.04964	5.1
71.29430	2.6
71.29743	1.9
77.03936	1.5
79.05483	62.4
81.03409	13.5
81.07043	48.4
83.04973	12.4
83.08605	16.5
85.02899	3.6
85.06537	4.9
91.05462	52.1
91.06032	3.5
93.07033	49.3
95.01281	1.5
95.04388	1.9
95.04954	26.9
95.08600	29.8
97.02861	6.1
97.06522	6.7
97.10155	16.2
105.07016	40.3
107.04941	12.5
107.08575	23.5
109.02859	2.2
109.06502	6.9
109.10145	12.0
111.04429	2.4
111.08060	4.3
114.55813	1.3
115.05422	2.3
117.07021	13.7
119.04929	1.8
119.08566	27.8
121.06525	7.0
121.10127	11.0
123.04449	1.7
123.08055	15.4
123.11667	3.0
125.09615	14.7
127.03908	1.6
129.06985	16.6
130.07808	1.7
131.08592	12.7
133.06435	4.0
133.10098	15.1
135.08047	5.6
135.11674	7.5
137.02330	19.9
137.09590	4.2
139.11063	1.5
141.06926	2.4
142.07741	2.1
143.08543	8.9
145.06418	2.0
145.10101	15.1
147.08049	9.5
147.11667	22.6
149.09590	3.3
149.13219	1.8
153.09003	2.2
155.08493	2.2
157.10135	5.7
159.11652	4.9
161.09610	6.2
161.13235	6.4
162.10275	1.6
163.11137	5.5
165.09085	4.5
169.10085	2.5
169.12170	1.8
171.11635	19.6
173.13234	1.7
175.11142	2.9
177.12747	2.1
185.13196	2.4
187.14853	2.1
189.11192	6.5
189.12735	8.2
193.12201	2.9
197.13194	1.7
205.12242	1.9
205.38992	1.6
207.13783	20.3
211.13200	1.8
223.13293	13.6
224.13684	1.8
225.14703	2.1
227.12772	12.5
245.18979	3.2
249.14807	4.2
267.15668	2.4
273.18430	22.6
281.17410	43.9
291.19504	100.0
292.19885	2.9
299.23941	1.8
347.22202	3.2
365.23160	30.9
491.29605	2.1
553.34943	3.2
571.36212	99.1
572.35999	4.5
589.36633	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	589.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01852	3.2
55.05497	11.5
57.03417	8.0
57.07061	8.0
59.04981	1.5
59.39581	0.9
61.02651	1.0
61.02919	12.7
64.83681	1.1
65.03920	1.5
67.05493	17.8
69.03423	10.8
69.07056	38.4
71.01331	3.8
71.04982	1.6
71.08631	1.7
71.79253	1.9
73.02903	100.0
79.05474	14.7
81.03400	3.3
81.07042	45.0
82.07350	1.1
83.04945	2.7
83.08604	12.4
85.02894	9.7
85.06530	2.4
85.10152	0.9
87.04446	2.3
91.05456	16.2
93.07033	35.3
94.42471	1.0
95.04936	4.1
95.08591	59.4
97.02864	12.7
97.06499	3.1
97.10138	5.2
98.06834	1.0
98.69709	1.0
105.07011	24.1
107.04930	1.6
107.08573	50.0
109.06480	4.4
109.10139	72.2
110.52304	0.9
111.08067	2.3
111.11711	6.5
115.03915	18.2
117.06985	4.7
119.08558	36.3
121.06489	2.0
121.10124	59.6
123.08042	2.8
123.11685	36.2
125.05952	3.2
125.09590	2.9
125.13272	1.8
127.03873	1.3
127.11242	1.0
129.07002	2.3
131.08546	10.8
133.05002	5.1
133.10107	41.9
135.08014	3.5
135.11670	48.0
137.05922	1.7
137.09576	2.1
137.13229	11.6
139.07510	4.4
139.11148	1.5
143.08542	4.5
144.08089	2.2
145.10094	21.3
147.08040	1.8
147.11662	24.1
147.12837	1.3
149.09592	3.3
149.13228	21.6
151.07544	2.2
151.11076	2.3
151.14780	2.2
153.09050	3.6
153.12755	1.8
155.08502	1.6
157.10086	9.1
159.08002	1.2
159.11662	23.6
161.09637	2.4
161.13237	20.0
163.07521	2.2
163.11172	2.3
163.14784	19.1
165.09084	3.4
165.12697	1.2
165.16356	2.1
167.10623	2.9
169.10030	2.1
169.34193	1.1
170.06015	1.5
170.10938	1.2
171.11679	7.4
173.09627	1.5
173.13217	11.1
175.11194	2.3
175.14774	14.4
177.09120	1.2
177.12747	1.2
177.16357	17.1
179.10670	5.2
179.14291	2.5
181.10199	1.1
181.12190	3.3
183.11671	3.1
185.13242	8.0
187.12418	5.5
187.14786	16.7
188.12611	3.0
189.12700	1.5
189.16345	20.0
191.10666	4.0
191.14264	1.7
191.17914	30.4
193.12187	3.5
197.13208	2.3
199.14821	4.3
201.16351	13.7
203.14175	1.5
203.17915	14.0
205.12193	2.1
205.15845	1.7
205.19487	2.1
207.13779	2.3
207.17380	2.1
211.14804	2.7
213.16316	5.3
215.14268	1.1
215.17912	6.8
217.12219	1.2
217.15891	1.8
217.19479	8.1
219.13768	1.8
219.17421	1.0
221.15353	3.8
225.16333	2.7
227.17857	5.2
229.19447	3.7
231.13780	1.4
231.17393	1.6
231.21054	1.6
233.15295	2.8
235.16898	1.7
239.18027	1.2
241.19528	2.5
243.21053	2.7
245.15257	1.3
247.16936	10.1
249.18542	7.4
253.19478	4.0
255.21011	4.5
257.22601	2.4
259.16776	1.7
261.18478	1.8
267.21011	1.3
269.22583	3.6
271.16812	1.0
273.18484	1.9
275.19986	2.3
277.21478	1.3
281.22610	1.5
285.22101	1.3
287.19980	3.1
289.21490	2.4
297.21918	2.1
297.25272	1.4
299.23584	1.4
301.21515	2.2
303.23169	2.8
309.25693	1.3
311.27228	2.0
313.21558	5.1
315.23181	9.0
317.24445	1.8
323.27237	1.8
327.23056	1.2
329.24664	3.4
337.28665	1.9
343.26291	5.6
353.28427	1.7
355.26425	2.2
364.73724	1.0
369.27771	5.2
371.29382	32.0
379.33466	6.6
383.29456	10.7
389.30338	3.0
393.35114	3.0
403.33450	2.3
411.35901	2.7
421.34631	9.5
439.35641	78.7
449.28983	3.5
457.36569	7.4
521.34613	2.3
553.38519	1.7
561.41345	4.5
571.40070	5.0
589.33099	2.6
589.40948	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	589.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01862	3.0
55.05502	0.7
57.03423	2.3
61.02911	2.1
65.03905	0.8
66.04712	0.9
67.05501	1.7
68.99750	0.7
69.03419	13.4
69.07057	1.3
70.06577	1.9
71.04969	2.2
71.80014	1.1
72.08160	0.8
73.02892	2.0
77.13660	0.6
78.04686	0.7
79.05483	1.8
81.03408	12.8
81.07050	3.3
83.04974	1.8
84.04479	0.9
84.08120	2.3
85.02898	17.0
86.09698	0.9
87.00817	7.0
87.04447	0.8
91.03943	0.8
91.05454	6.5
93.07011	2.5
94.04168	3.0
95.04954	2.0
95.08588	0.7
96.08152	0.8
97.02890	9.0
97.06506	1.7
99.04446	5.3
103.05473	3.8
105.01848	4.5
105.07010	7.1
107.04939	3.3
107.08590	1.9
109.02867	11.2
109.06535	3.2
109.10143	0.9
114.09141	4.3
115.03927	0.9
115.05408	4.1
115.09490	1.1
117.03360	1.1
117.06979	2.3
119.04903	1.4
119.08568	5.3
121.06512	1.1
121.10133	1.5
122.03637	5.6
123.04423	0.9
123.08040	1.0
124.03940	1.1
125.05923	0.8
127.03905	14.8
128.06223	2.7
129.01845	0.8
129.06952	2.9
130.08626	1.9
131.04941	5.9
131.08495	0.8
132.05698	4.4
133.06445	3.6
133.10114	1.1
135.04356	0.9
135.08017	0.6
136.07561	0.8
137.05962	100.0
141.06996	1.5
142.07761	0.6
143.04861	0.8
143.08563	1.1
145.02849	1.4
145.04904	3.5
145.06473	1.9
145.10104	2.4
146.03601	1.9
147.02878	0.8
147.04387	3.7
147.08046	5.3
147.11732	0.7
149.05974	2.3
149.09596	0.8
151.07497	1.6
157.06502	1.1
159.02921	3.7
159.04013	0.6
159.08073	2.0
159.11667	0.7
160.05167	2.3
161.05952	12.0
163.03915	1.1
163.07527	16.1
163.11134	1.9
164.06963	0.8
167.07024	1.7
167.08601	0.7
169.06430	1.1
171.08035	1.8
173.06007	0.9
173.09607	1.2
173.13159	0.7
175.07527	56.8
177.05452	3.3
177.09007	0.8
179.07019	0.8
181.05029	1.4
184.05119	1.7
187.07545	5.1
187.11176	2.2
189.09077	0.9
190.07777	0.8
191.08598	2.3
191.10611	0.9
197.11758	0.7
199.07527	15.1
201.09055	2.1
202.07762	4.2
203.08548	6.1
205.06458	1.2
207.06517	1.8
215.10704	1.7
218.07338	0.9
219.08047	5.5
220.08806	2.2
231.04881	1.1
231.08031	9.9
231.10089	1.1
232.08804	2.8
233.11725	2.3
235.07536	1.2
247.07545	3.4
248.08359	4.8
249.09007	1.5
249.11320	0.9
251.10663	4.8
251.12936	1.0
259.07608	7.6
260.08295	2.5
261.09189	1.6
263.10678	5.5
265.08792	1.4
275.06931	0.9
276.07724	3.6
277.08551	3.1
279.10132	4.2
285.13638	1.1
289.08359	0.8
291.10123	14.8
292.10889	4.8
293.08029	1.9
293.11417	1.0
295.13309	1.9
305.11682	0.9
308.10452	2.1
311.12735	10.0
321.11270	0.9
323.12753	31.9
325.14191	4.5
335.12598	0.8
341.13925	0.8
347.12473	0.8
377.16202	0.8
379.49857	0.6
395.16907	1.1
446.87393	0.6
539.21350	0.8
589.25262	1.2
589.34753	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	588.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	1.9
55.05502	16.4
57.03428	10.3
57.07066	8.8
61.02906	0.8
67.05492	11.0
69.03428	1.0
69.07053	18.7
71.04978	1.3
71.08635	5.8
79.05487	9.2
81.03404	55.0
81.07035	11.1
83.04970	3.4
83.08607	26.7
85.10154	2.2
91.05467	10.7
93.07018	7.8
95.04953	16.0
95.08598	6.1
97.02863	1.5
97.06525	2.8
97.10148	12.1
97.20879	0.9
98.21478	1.3
105.07010	8.9
107.04315	0.9
107.04951	4.0
107.08583	5.0
109.06513	2.1
109.10141	3.6
111.04417	1.2
111.08076	2.8
111.11684	2.3
113.64101	0.9
117.07054	1.2
119.04925	1.2
119.08563	7.8
121.06516	1.4
121.10132	7.1
123.08070	1.0
125.09655	1.1
127.73904	0.8
129.07007	5.0
131.08556	4.1
133.06479	1.9
133.10081	2.5
135.11674	1.6
137.09552	1.1
140.25677	0.9
142.07718	2.5
142.08745	0.9
145.10123	1.5
147.08005	1.1
147.11658	5.2
149.09602	3.5
157.10138	5.7
175.11171	6.1
193.12218	16.1
211.13237	1.1
223.13345	1.6
249.14789	2.0
255.85909	0.9
267.15869	100.0
268.16348	2.4
311.25748	56.4
312.26077	1.1
313.27344	5.4
429.33575	1.2
445.40637	1.0
467.37622	1.1
503.37262	53.2
504.37512	2.3
553.37726	1.4
566.36646	0.9
588.39026	1.2
588.47339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73922	0.7
50.80301	0.7
53.03933	2.9
55.00730	0.9
55.01855	3.2
55.05495	1.3
57.03413	2.2
61.02907	2.6
65.91992	0.8
67.05484	1.1
67.75263	0.7
68.99772	1.6
69.03417	13.1
69.07026	1.1
70.06581	1.8
71.04975	2.1
71.79642	1.1
72.08160	0.8
73.02901	2.9
73.06512	0.8
79.05462	3.4
81.03406	13.2
81.07032	2.9
83.04956	1.6
84.08121	2.6
85.02891	16.6
85.06493	0.9
86.09711	1.5
87.00817	6.3
91.03948	0.8
91.05463	6.3
93.07042	2.4
93.41047	0.7
94.04153	2.4
94.06548	0.9
95.04948	3.1
97.02879	10.3
97.06520	1.1
99.04446	4.8
103.05441	4.5
105.01839	3.3
105.07030	5.9
106.74084	0.8
107.04932	3.4
107.08595	2.7
109.02857	10.6
109.06496	3.3
111.04457	1.0
114.09123	3.8
115.03951	0.9
115.05420	2.6
117.01804	0.7
117.03388	1.0
117.06982	2.6
119.04877	1.9
119.08533	5.6
120.08076	1.2
121.06473	2.2
121.10139	1.1
122.03638	7.9
123.04395	1.0
123.08009	1.0
124.03938	1.2
126.52890	0.7
127.03898	13.4
128.06181	2.8
129.01816	1.0
129.06982	2.3
130.08632	2.4
131.04922	7.0
131.08530	1.7
132.05667	3.8
133.06471	3.0
133.10083	1.2
136.07619	0.8
137.05954	100.0
138.06325	1.1
141.06999	1.3
143.08565	1.6
145.02831	2.0
145.04927	4.1
145.06422	1.7
145.10100	1.9
147.04385	2.8
147.08025	5.7
149.05963	2.1
149.09496	1.0
151.07549	1.7
159.02859	2.8
159.08040	1.2
159.11694	0.9
160.05159	3.4
161.05948	13.0
163.03909	1.7
163.07513	14.4
163.11188	1.9
164.07010	1.1
167.07016	1.6
169.06491	1.2
173.09685	1.6
173.13347	0.9
175.07518	56.5
177.05469	5.4
177.08977	0.9
184.05220	1.4
187.07481	4.4
187.11160	1.9
189.09126	1.4
191.08533	2.8
191.10394	0.9
199.07501	15.1
201.08997	1.6
202.07721	3.3
203.08546	7.7
207.06496	2.4
215.10490	0.8
217.08536	0.9
219.08076	5.1
220.08769	2.8
231.04959	1.9
231.08022	8.9
232.08690	2.2
233.09584	1.2
233.11717	2.5
236.44052	0.9
242.42459	0.8
247.07581	2.9
248.08255	5.0
249.09012	1.0
249.11334	1.3
251.10655	4.9
259.07452	6.8
260.08249	2.7
261.09055	2.6
263.10638	5.3
265.08762	1.0
268.10925	0.9
275.07175	0.8
275.10538	0.9
276.07693	4.1
277.08401	3.7
279.10153	4.9
285.13626	1.0
291.10147	13.0
292.07693	0.8
292.10748	3.7
293.08057	1.8
295.09854	0.7
295.13187	1.8
308.10391	2.2
311.12769	10.1
321.11072	1.1
323.12738	33.5
325.14188	5.5
333.10977	1.1
344.08466	1.1
344.58774	1.2
359.14999	1.1
377.15826	0.9
395.16739	1.4
521.73407	0.9
535.19391	1.2
589.23212	2.5
589.33508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3932
Annotation	CHEBI:67910
Peak:m/z	Relative Intensity
52.35431	0.5
53.03939	1.1
54.84174	0.5
55.01860	3.0
55.05501	7.5
55.49805	0.6
57.03428	10.1
57.06837	0.5
57.07070	4.5
59.04976	1.7
61.02912	13.0
65.03935	1.2
67.05493	17.3
69.03413	9.8
69.07056	16.9
69.76414	2.4
69.76837	2.0
71.01012	0.5
71.01337	3.8
71.04967	0.9
73.02902	100.0
78.38297	0.6
79.05484	11.0
81.03425	0.7
81.07040	41.4
83.04962	1.7
83.08607	5.4
85.02886	9.1
85.06525	0.9
87.04460	2.3
91.05460	10.0
92.92303	0.6
93.06419	0.7
93.07025	26.0
95.04961	2.6
95.08591	44.0
97.02877	9.5
97.06520	2.6
97.10161	2.7
97.26727	0.5
99.08164	0.6
103.05416	0.7
105.07013	21.8
107.04900	1.1
107.08573	36.0
109.06504	2.9
109.10137	47.5
111.08070	1.7
111.11713	2.1
115.03911	17.7
117.06997	4.1
119.08562	29.4
121.06505	1.2
121.10125	36.0
122.10518	0.7
123.08090	1.8
123.11684	75.5
124.11993	1.0
125.05987	1.5
125.09597	0.7
128.06230	0.8
129.07001	2.0
130.07756	0.6
131.08546	10.5
133.04958	5.7
133.06435	0.8
133.10106	27.0
133.11131	1.3
135.08034	2.6
135.11668	32.8
136.11938	0.6
137.05937	0.6
137.09639	0.8
137.13228	11.5
139.07521	2.1
139.11171	1.6
143.08525	6.2
144.09344	1.3
145.06474	0.8
145.10100	15.3
147.08025	1.5
147.11659	17.0
149.09665	1.3
149.13223	17.2
149.14407	0.9
151.07521	1.5
151.11128	1.4
151.14796	1.1
153.09090	1.8
153.12740	1.6
155.08510	1.4
156.09419	1.1
157.10110	6.3
158.10858	0.7
159.08061	0.7
159.11662	17.3
159.12930	1.2
161.09634	2.2
161.13219	14.8
163.07509	3.7
163.11121	0.9
163.14792	11.7
165.09059	1.3
165.16382	0.7
167.10640	0.9
169.10106	3.4
170.10936	1.1
171.11673	7.2
173.09558	1.3
173.13248	10.8
174.13875	0.7
175.07439	0.7
175.11215	1.3
175.14798	9.9
177.09068	4.1
177.10332	0.5
177.12773	1.6
177.16357	5.4
179.10660	2.0
179.14333	1.1
181.10085	1.0
183.11626	2.8
184.12323	0.6
185.13239	8.2
187.11172	2.0
187.14781	15.8
189.09108	1.8
189.12729	1.4
189.16344	12.3
191.10605	6.7
191.14322	1.2
191.17921	24.2
191.19708	1.2
193.12276	0.8
193.19455	1.1
195.11705	0.8
196.12582	0.7
197.13292	2.4
198.84796	0.6
199.14783	6.1
201.12721	1.4
201.16362	11.4
203.10596	1.3
203.14328	1.4
203.17931	12.5
205.12263	1.6
205.19518	1.8
207.13795	1.0
207.17445	1.2
209.13185	1.0
211.14867	2.4
213.12817	0.8
213.16364	4.1
215.14249	0.9
215.17894	4.4
217.12201	1.5
217.15886	1.9
217.19501	2.7
219.13712	2.8
219.21089	1.0
221.13538	0.7
221.15349	3.1
221.19005	1.2
223.14867	1.2
225.16446	1.4
227.14328	0.9
227.17918	3.2
229.12195	0.7
229.15848	3.1
229.19566	2.5
231.13803	3.3
231.17381	1.2
233.15337	3.8
235.16884	1.5
237.16428	1.4
239.17917	1.7
241.15858	1.0
241.19466	2.2
243.17393	1.0
243.21109	1.3
245.15355	6.2
247.14380	1.0
247.16908	20.8
249.18517	0.8
251.17903	1.1
251.72498	0.7
253.19485	2.1
255.21068	4.5
257.15198	0.7
259.16885	1.6
261.18579	1.2
265.19467	0.7
267.21066	1.5
269.22632	1.3
271.17133	0.8
273.18512	1.9
275.20175	1.5
279.21088	1.3
281.22562	0.7
283.20514	1.4
285.18555	1.1
285.22134	0.8
287.19992	1.2
295.24078	0.9
297.22195	1.4
299.20123	1.8
301.21649	2.4
303.23035	0.9
303.40372	0.6
307.24313	0.7
309.25821	1.1
313.21634	3.9
313.24881	0.9
315.23117	10.8
321.25702	1.1
323.27390	0.9
327.23230	1.4
329.24594	0.7
335.27502	0.7
343.26373	0.9
351.26749	1.9
363.26825	0.9
367.26367	1.5
369.27853	12.0
377.32062	2.6
381.27850	1.9
391.33652	4.1
401.31805	1.8
409.34436	3.7
419.33096	5.5
437.34082	43.7
438.34698	2.9
455.35141	11.8
456.35327	0.8
506.80966	0.7
519.33282	2.0
527.37299	1.1
533.35919	1.1
541.38824	1.9
551.37030	1.8
569.38336	1.5
587.39319	64.2
588.39844	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	587.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01860	4.1
55.05506	7.0
57.03427	10.7
57.07061	5.4
59.04978	1.4
61.02912	13.6
65.03925	1.4
67.05492	20.7
69.03411	11.6
69.07055	16.9
69.08242	0.9
71.01331	3.2
71.04980	2.4
73.02904	100.0
75.04438	1.1
79.05480	12.9
81.03415	1.4
81.07040	40.6
83.04963	2.5
83.08603	7.4
85.02900	11.0
85.06525	1.4
87.04464	1.9
91.05465	12.2
92.87801	0.9
93.06413	1.2
93.07022	29.1
95.04975	4.2
95.08588	44.7
97.02886	9.6
97.06524	3.5
97.10156	2.6
103.05453	1.6
105.07004	22.0
107.04960	1.3
107.08575	37.6
108.08904	1.3
109.06509	3.3
109.10138	48.4
111.04431	1.7
111.08132	1.9
111.11724	1.8
115.03912	17.5
115.05531	0.9
117.07014	4.1
119.08559	32.9
120.08939	1.0
121.06487	1.8
121.10120	37.0
123.08096	2.8
123.11682	66.6
124.12018	1.3
125.09539	1.2
129.05443	1.1
129.06976	2.4
131.08559	10.3
133.04955	3.5
133.10114	28.7
135.08044	3.3
135.11667	33.9
137.05992	1.0
137.09621	1.8
137.13219	13.0
139.07552	2.5
139.11163	1.7
141.07034	1.4
142.07748	1.4
143.08534	5.5
145.06480	1.7
145.10092	16.9
147.07990	2.2
147.11656	18.3
149.09624	3.0
149.13222	14.8
151.07500	2.3
151.11151	2.0
151.14771	1.3
153.09044	2.1
155.08525	2.1
157.10107	7.3
159.08075	2.4
159.11664	17.8
161.09598	1.9
161.13234	15.5
163.07544	3.7
163.14812	10.6
165.09097	1.5
169.10098	2.0
171.11653	6.1
173.08150	0.8
173.09639	1.9
173.13210	13.5
175.11188	1.7
175.14764	8.5
177.09097	2.9
177.12756	1.1
177.16373	7.2
179.10606	2.1
179.14357	2.6
183.11682	3.0
183.28612	0.9
185.13223	7.2
187.09746	1.9
187.11203	1.7
187.14778	14.6
189.09097	2.0
189.12744	1.5
189.16344	12.5
191.10620	6.0
191.17886	21.2
193.12277	1.0
193.19522	1.1
197.13277	3.1
199.14819	5.6
201.12694	2.1
201.16342	12.4
203.10707	1.4
203.14342	1.5
203.17924	11.6
205.12151	1.9
205.15758	1.1
205.19615	1.6
207.13727	1.0
211.14868	2.1
212.16391	1.6
213.16335	5.5
215.14296	1.4
215.17937	4.9
217.12238	2.1
217.15941	0.9
217.19507	2.7
219.13838	4.2
219.17458	1.3
219.21129	1.2
221.15408	2.8
223.14822	1.1
227.17953	3.6
229.15854	2.0
229.19547	1.7
230.38556	1.1
231.13809	3.4
233.15323	4.2
235.16785	1.6
239.18141	2.1
241.19550	2.7
243.21060	2.4
245.15329	7.5
247.16890	18.9
247.19279	1.2
253.19461	1.9
255.17459	1.3
255.21103	3.3
256.19107	2.7
257.19360	2.3
259.16895	1.7
261.18649	0.9
267.21060	1.4
269.22635	1.7
273.18427	1.6
275.19934	1.0
279.20996	1.1
285.18457	1.2
287.20148	1.5
297.22055	1.4
299.19830	1.9
301.21613	2.9
309.25809	1.5
313.21600	3.9
315.23071	10.5
341.24881	1.3
351.26868	1.7
353.24811	1.2
367.26508	1.3
369.27872	12.6
377.32025	3.4
381.27945	1.9
387.28983	1.5
391.33688	3.2
395.33072	1.9
409.34601	2.9
419.32776	5.1
425.30869	1.9
437.34091	41.0
438.34320	1.8
453.33670	1.1
455.35138	18.6
467.35324	1.8
479.35168	2.3
519.33087	1.4
527.36658	1.0
533.36218	3.2
541.39246	1.6
551.37476	3.8
569.38354	2.0
587.39331	49.1
588.39124	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	587.3933
Annotation	CHEBI:67910
Peak:m/z	Relative Intensity
51.83052	0.4
53.03933	1.4
55.01857	3.8
55.05498	6.7
57.03424	10.2
57.07060	5.4
59.04981	2.2
61.02916	13.1
61.25985	0.4
64.67580	0.5
65.03922	1.3
67.05128	1.0
67.05491	18.1
68.93160	0.5
69.03415	11.1
69.07056	17.2
71.01335	3.5
71.04984	1.1
71.08619	0.5
71.40025	0.8
71.40370	0.8
73.02901	100.0
74.03242	0.6
79.05476	11.3
81.03400	0.5
81.07038	45.0
83.04980	0.9
83.08605	7.8
85.02888	10.2
85.06531	1.2
87.04443	1.8
91.05460	11.1
93.07026	27.5
95.04945	2.5
95.08588	44.1
96.08894	0.7
97.02874	9.4
97.06513	2.3
97.10154	3.3
103.05459	0.7
105.07011	20.6
107.04955	1.3
107.08572	35.7
109.06493	2.2
109.10135	47.5
110.10479	0.7
111.08071	1.9
111.11710	1.2
115.03089	0.7
115.03913	16.9
117.06993	3.2
119.08556	29.4
121.06508	1.4
121.10119	37.9
123.04459	0.8
123.08071	1.8
123.11681	73.8
124.12019	1.0
125.06006	1.1
125.09614	1.0
127.11173	0.6
128.06270	0.9
129.07002	1.6
130.07805	0.7
131.08536	11.4
133.04944	5.6
133.06479	0.7
133.10101	25.1
135.08063	2.6
135.11665	32.2
136.11987	0.7
137.05951	0.6
137.09569	0.7
137.13229	12.5
139.07507	2.5
139.11153	1.4
141.06993	0.7
142.07721	1.2
143.08513	5.9
144.09291	0.9
145.06514	1.0
145.10103	17.9
147.08015	1.5
147.11658	16.5
149.09636	1.7
149.13225	13.7
151.07510	1.4
151.11162	1.8
151.14806	1.7
153.09077	1.6
153.12711	1.5
155.08556	2.0
156.09325	1.2
157.10104	7.4
158.10898	0.5
159.08031	1.0
159.11659	16.5
159.12926	0.9
161.09602	1.4
161.13223	15.2
161.14490	0.9
163.07497	2.8
163.11159	0.8
163.14789	10.3
165.09096	1.6
165.12773	0.8
167.10638	0.9
169.10072	2.8
170.10791	0.7
171.11639	7.1
173.09647	1.3
173.13222	11.3
175.11226	1.2
175.14777	8.5
175.16136	0.7
177.09093	4.4
177.12724	0.9
177.16331	5.1
179.10667	2.1
179.14323	1.6
181.10001	0.7
181.12265	0.6
183.11665	3.2
185.13226	8.3
186.14026	0.5
187.11182	0.8
187.14783	18.4
189.09109	1.6
189.12746	1.1
189.16344	11.4
191.10635	7.1
191.14278	1.0
191.17905	22.5
193.10283	0.6
193.12146	1.5
193.15868	0.9
193.19518	1.9
195.11678	1.1
197.13176	2.7
199.14777	5.8
201.12741	1.4
201.16344	11.8
201.18106	0.8
203.10640	1.3
203.14305	2.0
203.17906	12.9
205.10506	0.5
205.12181	2.5
205.19518	1.7
207.13841	1.4
207.17451	1.6
211.14783	3.2
213.12796	0.7
213.16318	4.5
215.14388	1.0
215.17879	4.6
217.12311	1.6
217.15892	1.3
217.19421	4.4
219.13789	3.2
219.20996	1.0
221.15312	3.0
221.18918	0.6
223.14799	0.6
225.16406	1.5
227.14381	0.9
227.17871	3.1
229.12228	0.9
229.15865	2.2
229.19423	2.8
231.13800	3.9
231.17375	1.2
233.15353	3.9
235.16960	1.3
237.16367	0.7
239.17970	1.9
241.15947	1.1
241.19513	2.2
243.13762	1.1
243.17421	0.7
243.20982	2.7
245.15298	6.4
245.18977	0.9
247.16888	25.2
249.18564	0.7
253.19449	2.7
255.17444	0.8
255.21095	4.8
257.19012	0.6
257.22617	1.0
259.16879	2.4
261.18417	1.6
265.19519	0.9
267.21030	0.9
268.21521	0.6
269.22635	1.2
271.20694	0.6
273.18497	2.0
275.20026	1.5
279.21036	1.3
281.22583	0.7
285.18552	1.5
285.22018	0.9
287.20050	1.3
295.20670	0.8
297.22131	2.3
299.20023	1.7
301.21512	2.7
307.24271	0.6
309.25711	1.3
313.21506	3.8
315.23135	11.3
315.26486	0.9
321.25882	0.8
323.23468	0.6
323.27264	0.8
327.23047	0.7
333.24481	0.6
335.27319	0.7
341.24792	1.2
351.26755	1.5
351.30658	0.6
353.24683	0.6
366.84198	0.5
367.26367	1.3
369.27826	12.5
377.31879	2.6
381.27933	1.7
387.28979	0.8
391.33298	4.5
395.33319	0.8
399.28915	0.6
401.32117	1.2
407.32895	0.7
409.34659	3.4
419.32950	6.2
437.34064	43.8
438.34445	2.2
453.34094	0.6
455.35120	10.9
519.33179	1.6
527.36920	1.3
533.36224	1.2
541.38666	1.9
551.37262	0.9
569.38293	1.8
587.39319	54.6
588.39899	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	587.3934
Annotation	CHEBI:67910
Peak:m/z	Relative Intensity
53.03949	1.1
55.01851	3.2
55.05505	8.3
57.03428	11.4
57.07072	5.3
59.04995	1.3
60.01170	0.8
61.02918	14.6
65.54995	1.0
67.05495	20.1
69.03419	11.4
69.07059	20.4
70.34264	1.1
71.01340	3.3
71.04984	1.6
71.08618	0.9
73.02908	100.0
79.05482	15.1
81.03415	1.2
81.07047	45.2
83.04963	1.6
83.08607	7.2
85.02901	9.7
85.06541	1.2
87.04472	1.6
91.05468	11.9
93.07036	29.7
95.04963	2.4
95.08596	50.1
97.02882	11.6
97.06527	3.2
97.10160	3.4
105.07021	23.2
107.04928	1.6
107.08581	41.0
109.02847	1.4
109.06511	2.7
109.10146	51.3
110.10480	0.9
111.04393	1.1
111.08076	2.4
111.11707	1.5
115.03922	16.7
117.06996	4.8
119.08571	32.7
120.08945	1.1
121.06508	2.0
121.10136	36.1
123.08097	2.9
123.11694	64.3
124.11915	1.1
125.09620	1.5
127.99196	1.0
128.06145	1.2
129.07011	2.6
130.07773	1.2
131.08566	13.1
133.04958	3.8
133.10110	25.4
134.10341	1.0
135.08066	3.5
135.11681	33.5
137.05914	1.4
137.09599	1.5
137.13234	12.4
139.07553	2.4
139.11172	1.6
141.06972	1.3
142.07750	1.5
143.08519	5.5
145.06461	1.3
145.10104	18.7
147.08002	2.7
147.11653	18.5
149.09612	2.6
149.13235	14.5
151.07555	2.3
151.11209	1.6
151.14854	2.4
153.09102	2.4
153.12750	1.8
155.08493	1.5
156.09381	1.2
157.10132	7.5
158.10938	1.5
159.08058	2.1
159.11688	18.9
161.09631	2.7
161.13251	13.6
163.07559	4.3
163.11182	1.7
163.14792	12.4
165.09174	1.4
166.40971	0.9
169.10123	2.1
171.11670	6.2
173.09717	1.5
173.13248	12.2
175.07552	1.2
175.11139	1.6
175.14798	11.3
177.09105	3.8
177.12828	1.1
177.16341	5.1
179.10666	3.1
179.14265	1.2
183.11671	2.5
184.07433	1.2
185.09663	1.3
185.13226	8.8
187.09634	2.5
187.11215	2.1
187.14784	15.7
189.09119	1.7
189.12794	1.2
189.16353	12.2
191.10683	6.1
191.17931	18.7
195.11697	1.1
197.13264	3.2
199.14821	5.9
201.12830	1.3
201.16336	11.9
203.10735	2.3
203.14333	1.0
203.17938	11.5
203.29248	0.9
205.12308	1.7
205.19553	1.5
207.13786	1.5
207.17397	1.6
209.13297	1.1
211.14838	2.9
213.12807	1.2
213.16402	4.2
215.14311	1.9
215.17966	3.9
217.12119	1.5
217.15872	1.4
217.19530	3.1
219.13809	4.2
219.21181	1.7
221.15388	3.1
225.16479	1.7
227.14435	1.7
227.18001	3.2
229.15997	2.0
229.19434	2.3
231.13889	3.5
233.15410	4.0
239.17929	2.1
241.16005	1.6
241.19501	3.3
243.17546	1.3
243.21170	1.9
245.15404	6.2
247.16934	19.3
253.19504	2.3
255.17433	1.4
255.21083	4.9
259.16949	2.9
261.18524	1.3
267.21030	2.0
269.22629	1.4
273.18506	1.6
275.20157	1.4
285.18604	1.4
297.22141	1.8
299.20233	1.8
301.14462	1.4
301.21698	2.0
309.25845	1.6
313.21625	2.9
315.23117	11.6
323.27347	1.3
369.27927	10.4
370.28171	1.0
377.32123	2.1
383.29382	1.1
387.28848	1.3
391.33640	3.3
401.31726	1.4
409.34647	3.9
419.33029	5.3
437.34143	39.7
438.34210	1.2
455.35168	17.8
456.35632	1.1
467.35446	1.3
479.35040	1.1
497.36240	1.2
509.35703	1.3
519.33362	1.7
527.37622	1.6
533.36530	2.2
541.39093	2.2
551.37335	2.4
569.31006	2.6
569.38708	2.4
587.39459	49.3
588.39575	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	587.3932
Annotation	CHEBI:67910
Peak:m/z	Relative Intensity
52.39006	1.5
53.03947	1.9
55.01851	4.4
55.05508	6.6
55.92583	1.4
57.03431	11.4
57.07062	4.0
59.04976	1.6
61.02919	12.9
67.05491	16.4
69.03428	10.2
69.07052	20.5
71.01332	2.1
71.58313	3.3
72.65512	1.2
73.02906	100.0
79.05492	13.2
81.07044	41.6
83.04969	1.4
83.08611	6.4
85.02896	10.4
85.06505	1.3
87.04468	1.5
91.05465	10.7
93.07033	26.2
95.04985	2.0
95.08592	41.8
97.02877	9.5
97.06522	3.3
97.10166	2.8
103.05513	1.3
105.07023	24.7
107.08579	40.9
109.06512	3.0
109.09396	2.7
109.10145	52.7
111.08025	1.7
111.11694	1.6
115.03919	15.4
117.07011	4.4
119.08566	31.7
121.10129	40.1
123.08061	2.6
123.11691	68.2
129.06935	1.4
131.08546	9.7
133.04951	4.2
133.10110	24.8
135.07962	1.6
135.11676	32.9
135.12639	2.5
137.13223	9.7
139.07486	1.4
143.08546	5.2
145.10115	17.3
147.11688	16.1
149.09581	2.2
149.13251	15.8
151.11227	1.6
151.14815	2.5
153.09114	2.1
157.10136	7.7
159.08047	2.0
159.11694	17.7
161.09602	3.0
161.13243	15.3
163.07544	3.9
163.14807	13.1
165.09140	2.5
169.10069	1.4
171.11644	6.5
173.09662	1.9
173.13216	11.5
175.14807	8.9
177.09135	4.6
177.12816	1.7
177.16380	4.4
179.14372	1.6
183.11711	2.4
185.13280	8.5
186.11923	1.3
187.09642	2.0
187.14795	18.0
189.09088	2.1
189.16405	10.1
191.10712	5.6
191.17931	20.3
193.12196	2.4
193.19495	2.6
197.13278	2.7
199.14818	4.6
201.12630	1.6
201.16359	13.4
203.14371	1.4
203.17935	15.5
205.12222	1.6
207.13762	2.3
211.14833	2.2
213.16411	4.1
215.17961	3.4
217.12286	2.5
217.19522	3.3
219.13753	2.8
219.21176	1.8
221.15382	2.9
223.14905	2.1
225.16423	2.0
227.14388	1.8
227.18051	3.2
229.15898	1.7
229.19420	1.8
231.13777	2.4
233.15375	4.5
237.16437	1.4
241.19556	2.7
243.21124	2.1
245.15276	6.7
247.16896	21.7
253.19409	2.8
255.21141	2.7
257.15399	1.7
259.17093	2.2
269.22736	2.5
273.18408	2.5
297.22266	2.5
301.21515	2.4
313.21472	3.3
315.23157	11.2
327.23355	1.6
331.22644	1.6
351.26743	2.8
369.27829	15.7
377.32126	2.7
387.29071	1.5
391.33621	3.4
409.34656	3.3
419.33096	5.5
437.34134	44.9
438.34512	2.5
455.35199	13.4
467.00449	1.5
519.32904	1.6
551.36780	2.4
587.39362	55.4
588.39819	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	587.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31755	1.4
50.64366	1.4
53.03944	2.4
55.01862	9.3
55.05497	11.5
57.03431	19.1
57.07055	4.3
59.04984	1.9
61.02910	13.2
65.03937	2.6
67.05492	30.7
69.03413	16.5
69.07055	24.3
71.01343	5.6
71.78781	2.1
73.02905	99.1
79.05476	20.1
81.03427	3.4
81.07043	61.3
83.04946	3.2
83.08601	9.4
85.02885	16.0
87.04488	2.5
91.05470	21.4
93.07030	43.4
95.04987	9.2
95.08592	60.4
95.09186	3.4
97.02858	11.3
97.06538	4.9
97.10171	5.6
105.07014	25.7
107.04977	3.6
107.08575	52.1
109.06523	4.4
109.10137	63.9
111.08063	2.6
111.11702	3.0
114.58961	1.7
115.03918	20.5
117.06969	8.6
119.08562	45.6
121.06512	3.9
121.10132	49.1
123.08084	3.4
123.11685	100.0
125.06112	1.7
129.07037	3.0
131.08549	13.4
133.04980	9.6
133.06546	2.7
133.10110	36.7
135.08072	4.4
135.11673	50.2
137.06000	2.7
137.09554	2.5
137.13213	13.3
139.07600	2.0
139.11179	1.9
143.08598	6.5
145.06490	3.4
145.10107	25.9
147.08046	3.6
147.11670	25.7
149.09683	2.0
149.13245	21.4
151.07512	2.5
151.11169	2.7
153.09123	2.6
153.12764	3.2
155.08554	3.3
156.09445	2.0
157.10095	11.8
158.10922	2.2
158.95844	1.6
159.11670	22.9
161.06058	2.2
161.09624	4.1
161.13243	20.7
163.07620	2.5
163.14804	17.0
165.09164	3.6
165.12784	2.0
169.10150	3.1
170.10881	1.9
171.11711	8.4
173.06006	2.6
173.09641	3.0
173.13252	15.2
175.11235	4.0
175.14806	12.7
177.09140	4.8
177.16432	6.5
179.14316	2.2
181.10146	1.9
183.11571	3.2
185.13235	13.3
187.11247	1.7
187.14778	22.5
189.09099	2.1
189.16359	17.5
191.10641	8.9
191.17912	24.4
192.18330	1.9
193.12263	2.0
195.33846	1.8
197.13304	4.0
199.14850	6.7
201.12878	2.3
201.16344	18.4
203.10710	2.7
203.14413	2.0
203.17924	15.7
207.17464	2.8
209.13342	2.4
211.14854	2.7
213.13042	1.9
213.16435	6.4
215.18048	6.0
217.12178	2.4
217.15872	2.9
217.19556	5.3
219.13747	3.9
219.21143	2.3
221.15401	3.2
225.16383	1.8
227.18007	4.7
229.15973	3.1
229.19594	3.8
229.33553	1.7
231.13814	4.3
233.15427	5.2
239.17993	1.8
241.19441	4.1
243.21159	3.5
245.15401	8.1
247.16916	29.4
253.19545	3.9
255.21136	5.6
259.17084	3.5
267.21036	2.4
269.22745	2.6
273.18384	1.9
275.20319	2.2
285.18747	2.0
287.20084	3.1
301.14447	5.2
301.21637	4.0
313.21719	6.5
315.23135	16.1
337.28760	2.0
369.27994	10.7
375.17892	1.8
377.32211	2.8
381.27521	2.6
391.33630	6.4
401.32208	1.6
409.34805	4.3
419.33249	6.8
437.34079	57.1
438.34708	4.4
455.35052	26.2
479.35083	2.2
482.26825	1.8
519.33044	2.7
533.36169	3.8
551.37622	4.2
569.31012	5.0
569.38629	4.5
587.32080	6.0
587.39539	68.0
588.39819	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	587.3935
Annotation	CHEBI:67910
Peak:m/z	Relative Intensity
50.50473	0.8
53.03935	2.2
55.01865	3.7
55.05502	6.6
57.03427	12.8
57.07074	3.9
59.04989	1.6
60.88422	0.8
61.02918	11.4
65.03934	2.0
67.05495	15.9
68.88416	0.7
69.03422	10.7
69.07062	17.9
69.51793	8.1
70.36098	0.7
71.01337	3.0
71.04991	1.3
73.02906	100.0
79.05483	12.4
81.07044	41.4
83.04939	1.0
83.08614	4.7
85.02888	9.7
85.06514	1.5
87.04456	2.0
91.05459	11.8
93.07035	27.2
95.04960	3.0
95.08594	42.3
97.02879	8.8
97.06490	2.0
97.10167	1.8
105.07012	22.7
107.04920	1.2
107.08576	38.8
109.06523	2.1
109.10139	47.1
111.08097	1.5
111.11698	1.5
115.03905	15.4
117.07014	3.1
119.08559	29.4
121.06457	1.8
121.10126	37.0
123.08079	1.7
123.11690	67.9
128.06178	1.2
129.07065	0.9
130.07677	0.9
131.08554	10.6
133.04941	5.5
133.10110	26.2
135.08072	2.6
135.11676	31.4
137.13214	10.2
139.07510	1.0
139.11150	1.3
141.07048	1.0
142.07777	0.8
142.90085	1.0
143.08524	5.8
144.09332	0.9
145.10106	17.6
147.08063	2.0
147.11670	15.4
149.09621	1.4
149.13222	15.9
151.07516	1.8
151.14857	2.0
153.12677	1.0
155.08531	1.4
156.09418	1.1
157.10141	7.6
159.08043	1.4
159.11682	15.9
161.09607	2.2
161.13223	11.5
163.07527	4.4
163.14799	11.4
165.09114	2.3
169.10101	3.0
171.11681	7.4
173.09660	1.4
173.13246	10.6
174.13756	1.1
175.11104	1.3
175.14793	9.1
177.09143	3.8
177.16393	4.1
179.10672	1.6
179.14375	0.8
183.11716	2.9
185.13223	7.8
187.11169	1.3
187.14778	15.1
187.16312	1.1
189.09081	1.2
189.16339	10.0
191.10645	5.2
191.17924	20.4
193.12221	0.9
193.19531	1.2
195.11644	1.7
197.13257	1.9
199.14780	5.5
200.54779	0.9
201.12843	1.9
201.16389	11.0
203.10663	1.8
203.14299	1.3
203.17906	12.0
205.12260	1.9
205.15785	1.0
205.19574	0.9
207.13791	1.4
207.17455	1.8
211.14861	2.4
213.16296	5.0
215.18002	4.1
217.12410	0.8
217.19466	4.4
219.13647	3.8
219.21178	1.4
221.15311	3.1
223.14761	1.0
225.16264	1.6
227.17905	1.5
229.12305	1.0
229.15906	3.1
229.19527	2.4
231.13779	2.3
233.15334	4.1
235.16821	1.7
237.16415	1.0
239.17967	2.8
241.19627	2.8
243.13913	0.9
243.21068	1.0
245.15358	5.4
247.16893	18.9
253.19446	1.9
255.21114	4.4
257.22583	1.2
259.17035	1.5
269.22650	1.6
271.16824	1.1
273.18668	1.3
275.20132	1.1
281.22842	1.0
287.20184	1.3
295.24301	1.0
297.22235	2.0
299.20163	2.0
301.21594	2.5
309.25836	1.2
313.21631	3.2
315.23178	9.1
315.97772	0.8
323.27283	1.0
341.24588	1.2
351.26889	2.3
369.27817	10.9
377.32123	2.6
381.27780	1.8
391.33572	3.7
395.33688	1.2
398.62897	0.9
401.31958	2.8
409.34570	3.3
419.33179	5.2
421.49313	0.8
437.34122	37.8
455.35110	11.5
467.35873	0.8
519.33209	1.5
533.35828	1.2
551.37402	1.1
568.47345	0.9
569.38184	1.2
587.39325	51.0
588.39764	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	587.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01852	3.5
55.05497	9.6
57.03430	8.4
57.07054	3.8
59.04977	1.2
61.02919	12.5
65.03935	1.5
67.05494	21.3
69.03416	11.0
69.07058	21.4
71.01345	4.3
71.04992	1.6
71.30985	2.3
73.02905	100.0
79.05482	15.5
81.07043	48.7
81.07533	1.8
83.04963	2.4
83.08605	6.1
85.02894	10.6
85.06508	1.4
87.04462	1.8
91.05465	13.1
93.07029	32.0
95.04971	3.8
95.08591	46.5
97.02878	10.8
97.06496	3.3
97.10165	2.8
99.04504	1.0
99.08095	1.0
103.03902	1.4
105.07018	24.4
107.08575	41.3
108.07420	0.8
109.06508	3.8
109.10142	51.3
111.08070	1.8
111.11717	1.5
115.03905	14.7
117.06970	4.2
119.08562	30.1
121.06503	1.5
121.09229	1.9
121.10127	40.2
123.08083	3.0
123.11687	66.4
124.12001	1.0
125.05959	1.1
125.09657	0.9
128.06218	0.9
129.07001	2.0
131.08545	11.0
133.04970	5.0
133.06503	1.0
133.10107	27.7
135.08060	2.2
135.11673	34.2
137.05991	1.0
137.09587	2.0
137.13243	10.6
139.07536	1.9
139.11092	0.9
142.07768	0.8
143.08551	6.0
144.09390	1.7
145.06488	0.9
145.10098	18.8
147.08031	2.2
147.11661	17.4
149.06013	1.1
149.09660	2.1
149.13237	15.1
151.07565	1.9
151.11195	1.7
151.14819	2.0
153.09122	1.4
155.08577	2.3
157.10078	7.5
158.10924	1.0
159.08069	2.4
159.11670	16.9
161.09604	2.3
161.13235	15.6
163.07574	4.0
163.14789	10.8
169.08658	0.9
169.10104	3.5
170.10878	1.2
171.08057	1.1
171.11650	5.4
173.08107	0.9
173.09566	1.5
173.13225	10.7
175.07538	1.0
175.14821	10.8
177.09042	3.9
177.16362	4.6
178.20467	0.8
179.10674	2.4
179.14337	2.3
181.10152	0.9
181.12161	1.1
183.11676	2.5
185.09796	0.9
185.13257	8.5
187.09671	3.4
187.11217	1.7
187.14781	16.9
189.09123	1.2
189.16356	10.0
191.10670	6.6
191.17908	18.7
193.15848	1.2
193.19556	1.7
195.11855	0.9
197.13301	2.6
199.11293	1.1
199.14819	6.5
201.12746	1.6
201.16364	12.5
203.10712	1.2
203.14355	0.9
203.17891	12.3
205.12279	2.0
205.15714	1.0
205.19498	1.4
207.13795	1.3
209.13197	1.4
211.14845	1.9
213.12889	1.4
213.16345	5.4
215.14362	1.7
215.17859	4.9
217.15820	1.0
217.19487	3.4
219.13829	3.7
219.21025	1.3
221.15398	3.1
221.18935	1.1
225.16397	1.7
227.14403	1.2
227.17950	3.3
229.15839	1.4
229.19554	1.7
231.13890	3.1
233.15384	3.7
235.17001	1.7
237.16365	1.2
241.19508	2.9
243.13892	1.0
243.20990	1.8
245.15448	4.7
247.16890	18.9
247.19278	1.0
253.19447	1.1
255.21036	5.2
259.17145	1.8
261.18478	1.8
262.76801	0.9
267.21112	1.5
269.22662	1.6
271.17252	1.0
271.20584	1.0
275.20065	1.9
276.18170	0.8
279.20901	0.8
283.20633	0.8
285.18628	1.3
295.20660	1.2
297.22116	1.3
299.20065	2.5
301.21576	1.9
309.25595	1.2
313.21585	3.5
315.23105	9.3
323.27542	1.3
329.24680	0.9
341.24869	1.3
351.26895	1.7
367.26547	1.2
369.27887	13.8
377.32126	3.0
381.27750	1.5
391.33441	4.4
401.31741	1.4
409.34744	3.1
419.33167	5.4
437.34091	38.9
438.35013	1.7
441.29929	1.7
455.35132	20.3
455.41159	1.4
467.35309	1.3
533.36182	2.6
541.39001	1.6
551.37213	2.7
569.38593	1.4
587.39398	49.9
588.39612	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	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70908	1.5
52.24219	1.4
53.03941	1.9
55.01860	7.5
55.05499	9.3
57.03435	16.3
57.07062	5.3
59.04983	2.7
61.02921	12.3
66.41381	1.4
67.05502	23.8
67.39202	1.3
69.03423	15.2
69.07068	23.0
71.01346	5.4
71.04984	3.2
71.79920	2.0
71.95116	1.4
73.02908	95.4
79.05486	14.8
81.03402	3.1
81.07047	50.6
83.04970	3.9
83.08604	8.8
85.02895	19.0
85.06535	2.3
87.04446	2.9
91.05462	21.6
93.07037	33.6
95.04964	8.0
95.08601	52.0
97.02879	14.2
97.06522	5.4
97.10152	2.7
103.03958	1.7
103.05428	1.6
105.07018	30.9
107.08582	58.0
109.06517	9.9
109.10144	64.2
111.08128	2.7
111.11740	1.7
114.09163	1.7
115.03929	18.0
115.05412	1.4
117.07031	3.8
119.04999	1.3
119.08576	41.5
119.09412	3.1
121.06517	7.1
121.10133	38.9
121.10963	2.6
123.08098	6.0
123.11700	67.9
125.09635	12.9
127.03952	2.1
127.11119	1.9
128.06215	1.7
129.07030	4.3
131.08568	13.0
133.04977	7.9
133.06468	2.2
133.10126	33.9
135.08049	3.8
135.11682	36.2
137.05975	4.0
137.09599	1.9
137.13248	13.9
139.07581	1.9
142.07689	1.9
143.08569	9.4
145.10110	22.6
147.04405	6.3
147.08073	2.2
147.11674	22.9
149.05869	1.5
149.09624	11.7
149.13248	19.2
151.07448	1.8
151.14864	1.7
153.09081	2.0
153.12796	1.8
155.08594	1.9
157.10101	10.6
159.07977	2.5
159.11684	24.2
161.09612	3.6
161.13222	15.9
163.07620	2.3
163.14822	11.7
165.09135	3.3
165.12793	1.8
167.08580	1.6
169.10144	3.0
171.11708	8.7
173.09636	2.2
173.13263	14.8
175.11212	2.3
175.14819	13.4
177.05457	3.0
177.09111	3.9
177.12820	2.6
177.16402	6.4
179.08858	1.4
179.10510	1.4
179.14362	2.7
183.11693	5.7
185.09615	1.7
185.13210	9.2
187.09703	2.5
187.11244	2.1
187.14786	17.5
189.12622	1.7
189.16362	11.9
191.10677	7.0
191.17928	20.6
195.11732	1.8
197.13316	5.6
199.14864	7.4
201.12679	2.2
201.16357	11.2
203.14343	2.3
203.17929	12.9
205.12267	1.8
205.15884	1.7
207.13670	1.3
207.17407	3.0
209.13335	2.9
209.29674	1.4
211.14809	3.2
213.12776	2.6
213.16391	5.8
215.14427	2.3
215.17961	5.3
217.19577	1.7
219.13803	2.2
221.15364	3.7
223.14783	1.8
225.16396	2.3
227.17963	3.8
229.15871	2.4
229.19518	3.7
231.13860	3.1
233.15433	4.4
237.16382	1.6
239.17992	2.8
241.19539	3.3
243.14032	1.8
243.17427	1.8
243.21152	5.3
245.15492	4.0
247.16905	17.8
251.18263	1.7
253.19518	2.5
255.21164	5.5
259.16940	1.8
269.22580	2.7
297.22134	2.3
299.20255	1.6
313.21762	3.6
315.23105	10.0
331.22717	1.7
369.27780	8.4
377.32147	4.2
391.33655	3.9
404.97769	1.6
407.33243	2.3
409.34470	3.2
419.33075	7.9
437.34146	45.5
438.34604	2.2
455.35223	21.2
467.35370	2.0
497.36752	2.1
519.33258	1.8
533.36029	1.9
551.37415	2.6
569.38605	3.8
587.39410	100.0
588.40204	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	587.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01859	4.4
55.05505	7.6
57.03434	13.1
57.07062	4.6
61.02916	14.5
65.03944	2.2
67.05496	20.5
68.60151	1.2
69.03417	11.8
69.07056	22.0
71.01328	2.6
71.24604	3.2
73.02905	100.0
79.05482	13.3
81.07044	44.8
83.04999	1.8
83.08593	7.4
85.02901	10.1
87.04472	1.7
91.05471	12.4
93.07027	26.9
93.89100	1.2
95.04967	5.0
95.08591	50.5
97.02879	10.9
97.06520	2.3
97.10160	5.4
99.04504	1.4
105.07018	21.7
107.08578	42.8
109.06494	2.8
109.10136	49.8
109.10857	2.7
111.08116	2.4
111.11726	1.7
115.03913	15.7
117.07037	5.6
117.70529	1.3
119.08565	29.1
121.06530	1.7
121.10125	42.5
123.08062	2.4
123.11691	75.9
124.01613	1.3
125.05948	1.5
125.09686	2.1
128.06230	2.7
131.08537	11.4
133.04929	7.3
133.10112	24.5
135.08054	3.5
135.11673	33.9
137.13239	14.8
137.31110	1.4
139.07523	1.5
140.71419	1.4
143.08539	6.1
145.10098	16.3
147.08070	2.1
147.11670	17.5
149.09592	1.9
149.13229	17.0
151.07571	1.3
151.11168	2.0
151.14812	1.4
153.09035	1.3
155.08585	2.1
157.10072	8.8
159.11668	18.3
161.13222	13.8
163.07545	3.7
163.14772	12.8
165.09116	1.8
169.10101	2.9
171.11655	6.3
173.09607	1.7
173.13248	12.0
175.11208	2.1
175.14793	10.9
177.05440	1.4
177.09119	3.5
177.16428	5.5
179.10603	1.6
179.14262	2.1
183.11717	3.1
185.13290	7.5
187.14799	17.1
189.09068	2.1
189.16333	11.0
191.10616	6.5
191.17909	20.0
197.13336	2.2
199.14857	5.6
201.12502	1.4
201.16357	12.7
203.10686	1.9
203.14276	2.0
203.17914	12.7
205.12161	1.9
211.14799	2.2
213.16383	4.7
215.17995	4.0
217.12282	1.9
217.19521	3.4
219.13817	3.4
219.21167	1.6
221.15396	2.7
223.14738	1.7
225.16377	2.0
227.18007	3.8
229.15776	2.8
229.19496	1.8
231.13828	3.2
233.15393	4.0
235.16919	2.1
239.17896	1.9
241.19608	2.1
243.21089	2.2
245.15437	5.4
247.16917	20.2
253.19653	2.1
255.21086	3.5
257.15506	1.6
259.17035	1.9
273.18631	2.7
285.18439	1.8
285.21887	1.5
297.22131	1.9
301.14352	2.8
301.21774	4.0
313.21750	4.1
315.23267	8.8
367.26099	1.4
369.27890	14.1
377.32086	2.2
381.27805	2.8
383.13336	1.3
391.33737	3.6
401.31848	1.8
409.34814	3.4
419.33023	7.6
437.34082	48.3
438.34100	2.5
455.35162	15.6
513.82599	1.3
519.33032	2.2
569.30841	3.0
587.32257	3.4
587.39453	56.5
588.39990	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	587.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03421	2.0
58.06583	0.8
67.05479	0.6
68.05018	9.0
69.03427	1.5
69.07064	0.6
70.06580	100.0
71.01338	0.5
71.06894	0.5
71.79341	0.7
72.08149	1.1
73.02922	1.1
81.03427	1.0
81.07034	0.8
84.04443	0.5
84.08135	1.2
85.02890	2.2
86.06052	39.7
86.09689	21.7
87.06374	0.5
91.05471	1.3
93.03447	0.5
93.07045	0.8
94.06556	0.5
95.04934	0.6
95.08598	0.5
96.04486	1.2
96.08094	0.5
97.02911	1.0
97.06522	0.5
98.06045	9.4
99.04441	0.6
100.07612	0.9
100.11242	1.5
102.05609	0.4
103.05460	0.6
105.07015	0.7
106.04155	1.2
109.02844	0.6
112.07600	0.8
114.05499	2.6
114.09138	2.5
116.07149	0.5
119.04907	1.1
119.08542	0.8
121.06514	1.1
122.06837	0.7
124.07590	0.8
126.05485	4.2
127.03912	0.8
128.07063	3.3
128.10693	4.2
129.10233	0.5
130.08597	0.8
132.10233	1.1
133.10170	0.5
136.07567	2.5
137.05963	1.3
138.09126	1.3
138.10236	0.9
142.04977	1.5
145.02907	0.7
147.04373	3.9
149.06015	1.9
150.06381	0.7
152.07083	0.7
153.08992	0.6
161.05939	0.7
163.03865	1.3
163.07495	0.4
164.07034	4.2
167.07047	1.0
167.15442	0.6
173.57668	0.4
175.14841	1.9
177.05519	2.2
178.05817	0.8
181.08577	1.2
182.11812	0.5
183.11418	0.7
183.14897	18.3
184.07358	0.8
191.08220	0.8
193.08618	0.5
199.14384	2.1
200.12991	0.4
209.08087	3.8
210.08421	2.6
211.14372	26.6
212.14833	0.6
218.10156	0.6
225.16025	1.9
227.13811	0.7
229.14336	0.8
232.37978	0.5
245.14931	46.5
246.15317	0.7
253.15483	1.9
264.73441	0.5
287.16116	2.1
289.15640	1.3
307.16611	1.1
324.19070	0.8
342.20178	19.6
343.20728	1.3
377.19113	13.4
378.19791	0.6
381.62616	0.5
433.20209	0.6
437.27728	0.5
455.28592	37.1
456.29141	1.9
474.24365	10.1
497.29688	8.2
498.30121	0.6
533.29785	0.9
569.22009	0.5
587.24426	0.9
587.32874	9.6
588.33490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10867	1.1
53.03933	2.7
55.01859	4.2
55.05500	8.3
57.03423	11.6
57.07066	4.7
59.04976	2.3
61.02916	13.1
64.83498	1.2
65.03927	2.4
67.05493	21.1
69.03424	11.0
69.07054	19.8
69.47425	13.6
71.01344	3.0
71.04959	1.5
73.02904	100.0
79.05480	11.8
81.07043	44.2
83.04968	1.1
83.08595	7.1
85.02880	10.1
85.06544	2.1
87.04443	2.4
91.05465	12.4
93.07028	29.2
95.04980	3.4
95.08592	45.6
95.09188	2.7
97.02882	9.4
97.06500	2.4
97.10161	3.6
105.07016	23.3
105.07700	2.0
107.08571	38.1
109.06544	2.8
109.09384	2.9
109.10136	54.1
110.11087	1.3
111.03632	1.2
111.04392	1.1
111.08071	2.6
111.11760	1.5
115.03908	17.2
117.07006	3.8
119.08553	31.7
121.06482	2.3
121.10127	37.2
123.04448	1.3
123.08068	2.6
123.11684	71.9
124.12103	1.1
125.09587	1.5
128.06206	1.5
129.06972	2.0
131.08553	11.3
133.04944	5.1
133.10103	26.0
135.08073	3.2
135.11665	36.3
137.09589	1.5
137.13225	11.1
139.07512	1.3
143.08549	5.3
145.10103	16.4
147.11636	15.8
149.09602	1.7
149.13223	14.8
151.07516	2.4
151.11276	1.2
151.14726	2.1
155.08595	1.5
156.09424	1.7
157.10088	9.2
159.08076	1.5
159.11659	18.3
161.09621	2.5
161.13243	13.3
163.07538	3.5
163.11194	1.4
163.14804	9.2
165.09155	1.9
169.10130	2.0
171.11639	8.7
173.13222	12.6
175.14777	9.2
177.09103	5.2
177.16368	5.9
179.10703	4.2
183.11765	3.5
185.13176	6.4
187.11166	1.8
187.14795	19.4
189.09093	2.5
189.16371	11.5
191.10660	6.4
191.17928	20.8
193.12241	1.6
193.19528	1.6
197.13281	3.4
198.73363	1.2
199.14819	4.6
201.12733	2.0
201.16339	12.5
203.14265	1.4
203.17914	12.6
205.12238	2.3
205.19563	1.9
207.13770	1.4
211.14844	2.8
213.16428	4.1
215.18001	4.5
217.12230	2.0
217.15741	1.2
217.19475	3.3
219.13799	3.6
221.15352	2.9
225.16385	1.7
227.14403	1.7
227.17986	3.1
229.15895	2.3
231.13840	4.8
233.15413	4.3
239.17853	1.5
241.15521	1.2
241.19603	2.8
245.15356	6.1
247.16899	18.7
255.21066	4.9
259.16971	1.7
267.21118	2.7
269.22717	2.3
273.18500	1.4
281.22708	1.8
297.22168	3.0
299.20032	2.3
301.21680	3.5
313.21710	3.7
315.23154	11.3
323.27206	1.3
348.84192	1.5
369.27875	13.3
377.32089	2.6
381.28094	2.6
391.33490	2.9
409.34586	4.0
419.32904	5.8
437.34094	39.2
438.34482	2.4
455.35101	9.5
519.33350	1.9
533.36389	3.3
569.38275	3.1
587.39319	53.7
588.39587	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	587.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97702	0.4
69.03415	0.4
69.45613	3.4
72.08123	0.4
74.02437	0.5
85.02894	0.8
90.05543	0.5
91.05435	0.6
96.91055	0.3
97.02885	0.5
98.97584	0.4
103.85532	0.3
114.09161	0.3
115.05460	0.5
115.07561	0.4
117.05729	0.6
117.06999	0.8
118.06524	12.7
119.06808	0.3
130.06514	1.4
132.08087	3.8
142.06493	1.4
143.07280	1.4
144.04440	0.5
144.08061	9.9
145.06436	0.3
146.05986	53.8
147.04379	0.8
147.06274	0.7
159.09164	5.7
160.07545	0.8
167.07027	0.5
170.06007	3.6
177.05399	0.4
188.07042	100.0
189.07419	1.7
205.09698	54.8
206.10071	1.1
220.11838	0.7
234.79562	0.3
410.72632	0.4
487.47922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01857	2.6
55.05510	1.6
57.07052	0.8
60.04505	1.2
61.01137	5.4
61.02924	0.6
67.05489	1.2
69.03421	3.5
69.07043	1.3
70.06585	2.8
71.04974	1.4
71.78470	0.9
72.04501	10.3
72.08138	1.3
73.02895	2.4
78.03778	13.5
81.03414	3.0
83.04958	2.6
83.61068	0.6
84.04462	0.6
84.08128	1.1
85.02888	12.8
85.06528	1.2
86.06055	1.4
86.09698	1.5
88.02204	4.9
95.04944	0.9
97.02889	3.7
98.02408	1.2
98.06019	1.0
99.04446	8.6
99.05553	3.1
102.03749	22.2
102.85280	0.6
103.02139	2.5
103.03927	11.6
104.01669	1.0
108.04459	0.7
109.02856	10.2
110.06081	0.7
112.07590	1.0
113.05971	1.7
114.03748	4.0
114.05520	2.0
114.09168	1.7
114.10286	1.0
114.71973	0.6
115.05028	1.0
115.08649	0.9
115.30943	0.5
116.07010	0.9
120.04781	5.1
124.07531	1.3
125.07057	0.8
126.05495	19.1
126.06431	0.9
127.03893	14.9
128.59312	0.5
130.08620	1.4
131.04913	0.8
131.06357	12.2
132.04771	13.2
136.03915	0.8
136.07533	2.0
137.05907	0.7
138.05479	0.8
141.06566	1.8
142.08632	4.6
145.04997	1.1
147.04401	2.2
147.05856	1.7
149.07419	45.6
152.07045	2.5
154.08626	2.6
156.06534	2.2
158.02734	0.6
159.05850	3.4
161.05894	0.8
162.05536	2.4
163.03882	1.1
166.08609	0.7
167.07053	0.7
168.04762	1.2
175.05351	3.2
176.94278	0.5
180.06523	14.1
184.09648	2.7
186.05817	1.3
191.08447	1.9
193.04965	0.7
198.07640	2.9
216.08640	1.2
231.11508	3.0
233.09392	0.7
238.04515	0.8
239.08519	2.0
243.11411	0.9
257.09512	1.8
261.10294	0.7
261.12674	4.7
275.10492	1.6
277.01752	0.6
293.11615	100.0
294.11896	1.7
303.13660	0.9
335.12589	1.6
343.16275	0.6
383.12683	2.0
401.13824	5.3
405.16855	24.8
419.14822	2.3
423.17816	0.6
428.74673	0.6
437.15805	14.1
455.16922	23.4
531.19977	0.6
549.20935	2.5
567.22168	9.7
585.24780	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	585.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91133	0.7
55.01857	0.9
56.96550	2.2
57.03422	1.1
69.03398	2.4
69.45335	7.5
69.45752	1.0
71.97608	0.7
73.02895	0.9
77.00877	1.1
81.03382	1.5
82.99864	3.1
85.02884	5.8
86.84952	0.8
96.08106	1.7
97.02874	4.0
97.06555	0.7
98.21437	1.9
98.97574	3.4
101.00851	9.5
105.00372	0.7
109.02877	2.0
109.06586	0.8
113.00842	1.0
114.09142	2.1
115.02435	1.2
116.98597	2.3
119.01901	40.6
124.02445	0.7
127.02372	2.5
127.03868	4.6
128.98561	0.8
129.00313	0.9
129.03946	1.9
131.00165	1.1
131.01878	13.6
131.05554	1.0
133.03416	2.7
137.02951	8.4
138.05493	5.0
138.37096	0.8
142.03438	1.9
143.01878	40.4
144.01920	0.9
145.03464	27.9
145.04747	1.8
146.99597	1.2
147.01334	2.1
147.05008	2.4
149.02959	3.8
149.06529	3.0
153.03955	1.0
155.01868	19.7
157.03444	10.3
158.99646	2.1
159.05002	2.2
160.09665	2.9
161.02939	86.9
162.03085	2.4
163.03964	5.1
163.05695	0.9
167.01854	8.4
167.06995	1.8
168.04987	1.2
169.03496	4.0
170.99632	1.3
171.01212	0.7
171.04985	13.2
173.02936	36.5
173.06546	8.1
174.03166	1.3
175.04538	7.8
177.00677	1.5
177.05968	0.8
179.01945	3.9
179.03906	2.4
181.03351	1.0
183.04996	1.8
184.04480	4.4
185.02939	41.2
185.06532	1.4
186.03114	1.4
187.00792	2.6
187.02827	1.2
187.04492	9.8
189.02373	1.5
189.06058	8.8
191.02322	0.8
191.03964	20.7
191.07652	3.5
193.05527	1.4
196.04561	1.3
197.02933	14.6
199.02730	1.2
199.04477	8.6
201.00739	1.5
201.06088	2.1
202.09215	0.9
203.03987	30.7
204.04024	1.0
205.01923	7.7
205.05455	0.8
208.04594	1.6
209.02943	2.2
209.04904	1.0
211.04579	1.9
213.06026	4.3
214.05731	1.1
215.03984	13.0
215.07481	1.8
217.02184	3.6
217.05553	18.3
218.05736	1.3
219.01730	2.9
221.05043	8.8
221.10471	1.6
223.02739	0.8
225.05951	1.2
227.03944	9.6
227.07484	1.6
229.05548	2.9
231.07152	3.8
233.05096	4.6
235.06627	6.6
237.02574	3.7
239.06052	1.1
241.05473	2.1
242.08607	1.0
242.96648	3.0
243.03456	5.3
245.05038	100.0
246.05148	4.3
247.02855	1.9
247.06741	1.9
253.07722	1.2
257.05051	6.0
259.06613	19.1
260.09756	1.8
261.04654	1.7
261.09961	2.9
263.06104	32.1
264.06024	0.8
265.04083	1.2
271.02960	1.3
271.06555	3.9
272.06467	1.2
273.08084	2.7
275.06119	13.3
275.09146	1.4
277.07706	11.3
279.03763	1.4
281.07065	1.1
283.06717	1.2
286.07584	1.2
287.05875	1.9
289.04382	4.1
289.07169	4.2
291.09177	0.8
292.05856	0.9
293.07230	4.2
300.09372	0.9
301.07678	4.2
303.05664	4.1
303.11008	1.8
305.07101	9.9
307.04974	8.2
307.08444	1.4
315.05563	1.5
317.07071	1.2
319.08698	15.9
321.04663	1.1
321.10248	1.0
323.06262	1.1
325.06104	1.6
332.61179	1.0
333.08273	2.9
333.58261	1.1
335.08191	7.0
337.09952	4.3
347.08215	1.0
351.11264	2.9
361.09671	6.3
363.07635	7.3
363.11954	1.1
365.09219	11.9
379.10822	10.8
401.14334	1.6
405.07904	6.0
405.12729	2.6
414.10809	1.8
423.09790	27.4
424.10040	1.2
425.11154	11.9
469.10382	23.5
481.13959	2.3
499.14828	4.9
525.11676	1.1
541.15887	4.1
547.65820	0.9
585.13965	28.0
586.12653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.05496	27.4
57.03429	11.7
57.07071	18.4
57.43547	2.8
59.05000	3.5
60.85268	2.5
63.21825	2.9
65.03922	4.6
65.16019	3.1
66.98287	2.7
67.05499	75.0
68.05830	3.2
68.99712	2.6
69.03393	4.3
69.07060	29.8
69.45691	5.5
69.46095	31.9
70.06579	4.2
71.04983	6.4
71.08621	6.2
74.24081	2.7
79.05481	35.8
81.03417	11.6
81.07047	100.0
81.07529	5.6
82.07378	4.7
83.04979	5.8
83.08610	29.8
85.02862	3.3
85.06531	8.8
85.10189	3.6
87.04475	3.0
89.06024	24.3
91.05464	34.4
93.07036	53.7
94.07372	3.6
95.04946	11.2
95.08588	54.3
97.06532	15.1
97.10165	10.0
98.94949	2.9
105.07026	26.1
107.04940	3.0
107.08581	35.0
109.06512	5.0
109.10145	28.5
111.08077	5.7
111.11738	4.1
113.09639	3.6
114.01041	2.8
117.07008	8.8
119.08551	33.5
120.08913	8.0
121.06426	3.9
121.10114	31.2
123.08067	6.7
123.11701	12.5
129.07008	4.4
131.08522	14.3
132.08932	3.4
132.54552	2.6
133.08562	16.2
133.10097	26.2
135.07999	4.9
135.11676	20.3
137.09598	4.8
143.08508	6.0
145.10135	17.9
146.10445	7.3
147.08011	6.5
147.11682	8.3
149.09616	4.1
149.13290	13.4
151.11087	6.2
155.08453	4.0
157.10107	12.6
158.10486	4.2
159.08081	3.8
159.11681	22.2
161.13263	7.0
163.11150	5.3
165.09094	7.4
169.10153	5.4
171.11693	6.9
173.13216	5.7
175.11224	3.5
175.14917	6.6
177.11179	7.8
177.12700	4.9
181.10078	3.3
183.11665	6.1
185.13194	3.5
187.13228	4.0
195.11891	4.4
195.13702	5.4
197.13252	4.7
199.14906	4.3
209.13242	8.4
213.14742	3.3
221.13470	4.2
221.15318	15.4
222.15730	11.4
243.15862	25.0
256.26343	4.5
267.15765	17.0
269.17419	18.5
287.18497	43.6
300.29028	6.8
311.29269	14.9
337.27344	47.3
338.27945	5.1
339.28760	11.9
371.22784	10.3
487.33859	3.4
492.35550	4.9
505.38788	81.4
506.38858	3.6
531.40045	16.0
549.41254	37.7
566.41125	4.4
584.41675	24.7
584.55957	46.9
585.37549	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	584.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.8
57.07068	34.7
67.05492	4.1
69.07053	6.0
70.06573	4.4
71.08620	32.3
71.80612	1.0
71.81134	1.5
73.06540	4.9
79.05460	2.3
81.07050	5.8
83.08605	4.9
84.21461	1.1
85.10171	20.0
87.04468	6.8
88.07629	2.8
89.06018	100.0
91.05465	3.7
93.07035	6.0
95.04965	1.7
95.08582	5.2
97.10148	5.4
99.11740	2.0
105.07018	6.5
107.07036	3.3
107.08579	4.6
109.06505	1.7
109.10141	2.5
111.11732	2.7
113.13300	1.5
117.06998	2.4
117.09103	7.3
118.95359	1.1
119.08572	8.0
121.10152	3.2
123.08035	2.0
130.08617	5.6
131.08554	2.8
132.10185	2.7
133.08591	56.3
133.10153	3.9
135.10127	1.2
135.11649	1.6
143.08537	2.9
145.10109	5.3
147.08099	1.5
147.11714	2.0
157.10104	2.5
159.11671	1.9
160.53233	1.1
161.11705	1.7
161.13162	1.4
173.13235	1.9
175.14825	2.3
177.11172	25.4
185.13226	1.5
195.11925	1.9
197.13539	1.6
197.22592	3.3
221.13756	5.5
239.15007	2.5
241.25226	2.6
246.00043	1.2
256.26346	4.2
283.17480	3.6
283.26297	3.5
285.27710	9.6
300.28986	5.5
311.29407	10.7
327.20047	2.4
328.31955	1.6
329.30542	3.8
371.22778	15.9
505.40784	1.4
523.42084	2.3
567.44659	16.9
584.47473	2.9
584.55859	34.7
585.36877	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	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05496	5.9
57.07069	7.4
59.04978	1.3
67.05496	10.7
69.03426	5.0
69.07063	7.3
70.20968	5.1
71.08601	1.1
79.05477	10.7
81.07043	14.7
83.04962	2.6
83.08604	3.1
85.06517	4.1
89.06013	4.7
91.05472	19.7
92.06247	1.0
93.07027	26.3
95.04956	5.3
95.08591	16.1
97.06519	2.9
103.05447	1.4
105.07013	37.1
106.07832	1.2
107.08582	23.7
109.06504	5.8
109.10138	10.6
111.08007	1.4
111.80452	1.1
115.05477	2.3
117.07011	10.8
119.07716	2.4
119.08567	47.0
120.09347	2.9
121.06501	2.7
121.10130	17.4
123.08048	6.0
123.11629	2.4
125.05968	2.9
125.09618	1.0
128.06201	4.3
129.06987	10.0
130.07751	3.3
131.08553	25.8
132.09352	2.2
133.06512	2.7
133.08601	2.4
133.10118	23.7
134.10851	1.4
135.08060	10.5
135.11656	8.0
137.09572	7.0
139.07579	1.6
139.11140	1.3
141.06970	3.5
142.07744	9.6
143.08533	19.5
144.09343	5.1
145.06474	1.8
145.10104	36.1
147.08026	11.0
147.11668	10.2
149.09604	4.7
149.13252	1.8
151.07567	5.4
151.08554	1.0
151.11133	1.5
154.07664	1.6
155.08546	8.9
156.09325	9.4
157.10117	31.5
158.10878	6.6
159.08054	3.7
159.11674	20.2
159.24033	0.9
160.12299	1.7
161.09563	6.3
161.13254	4.7
163.11165	8.4
165.06993	2.2
165.09081	20.3
167.08531	3.7
168.09300	2.5
169.10092	13.9
170.10899	6.5
171.11667	20.1
172.03659	1.0
172.12457	6.0
173.09607	3.6
173.13232	13.0
174.10411	1.1
175.11200	9.1
175.14766	8.2
176.11836	1.4
177.11192	1.9
177.12677	2.5
179.08530	1.9
179.10632	1.7
180.09322	2.5
180.11383	1.6
181.10106	8.4
181.12059	5.5
182.10889	3.7
183.08076	1.7
183.11681	14.5
184.12404	2.7
185.09613	1.7
185.13251	11.5
187.11169	2.1
187.14774	5.0
189.12700	4.1
190.13475	5.0
191.10661	1.4
191.14288	2.2
192.09331	1.3
193.10091	4.3
193.12079	5.1
194.10855	4.0
195.11694	11.2
195.13405	1.8
196.12398	4.2
197.09541	2.8
197.13243	11.9
198.13943	1.5
199.11147	3.3
199.14828	4.7
201.12721	3.6
201.16371	2.9
203.14287	11.9
205.10223	1.0
206.10893	2.0
206.37273	1.0
207.11665	5.4
207.13789	7.2
208.12547	1.8
208.14546	4.1
209.13269	10.3
210.13933	1.4
211.11162	2.8
211.14798	8.1
213.12729	1.5
213.16359	2.7
215.14244	1.6
217.15871	1.4
218.10957	1.4
219.11880	1.5
219.13803	3.1
221.13246	5.4
221.15311	43.3
222.13850	1.3
222.15742	1.5
223.11278	2.0
223.14764	10.0
225.12694	2.8
225.16345	3.3
227.14285	1.5
227.17705	1.1
229.15862	1.1
233.13135	2.6
233.15331	2.5
234.14005	2.1
234.16116	8.4
235.14680	5.0
236.15369	1.3
237.12741	3.5
237.16351	3.1
239.14339	1.8
239.17862	1.5
244.12424	1.2
245.15335	1.2
246.13855	1.2
247.14751	1.7
247.16882	7.6
249.16348	3.0
251.14149	1.6
251.17960	1.5
253.19475	1.8
255.17441	2.1
257.18842	1.4
259.16928	1.6
261.16351	1.2
263.17923	3.3
265.15811	2.0
265.19440	2.5
271.16965	1.9
271.20456	1.8
273.16129	1.6
274.19278	2.6
275.17795	1.4
277.15869	1.2
277.19461	1.8
279.17545	1.3
281.18881	3.6
285.18558	1.6
286.19205	3.1
287.20053	2.1
289.19431	1.3
291.20856	1.3
295.16891	1.2
296.21265	2.4
297.22186	1.2
299.20105	8.8
300.20761	1.7
309.18515	1.4
310.19095	2.1
311.19998	1.8
311.29404	1.4
312.20789	1.6
312.24258	1.3
319.20599	1.5
325.21625	9.6
337.21570	6.6
351.23273	1.5
352.23914	65.1
365.24725	9.2
371.22632	2.8
385.26999	1.4
391.26035	2.2
397.27466	2.4
398.28113	5.2
404.30533	5.8
411.28809	2.6
412.29669	15.7
423.28848	1.4
425.30441	3.0
431.29099	2.0
438.31253	12.9
456.33743	1.0
489.33728	4.7
490.34244	1.2
491.35150	11.3
492.35342	4.2
504.35913	100.0
505.36240	2.3
566.40594	2.7
569.39484	2.1
584.42072	22.8
584.55652	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	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05499	10.1
57.03422	2.6
57.07066	10.4
59.04976	3.4
64.06608	1.3
65.03930	2.5
67.05501	15.9
69.03409	5.0
69.07055	10.9
70.39606	3.5
71.04990	1.3
71.08611	1.8
74.50884	1.3
76.62399	1.2
79.05487	16.0
81.03413	3.1
81.07047	22.6
82.07351	1.6
83.04973	4.2
83.08601	5.9
85.06523	3.8
87.04462	1.7
88.94685	1.4
89.06020	8.4
91.05465	29.7
93.07029	37.7
95.04951	8.6
95.08590	22.6
97.06506	4.5
98.21342	1.6
98.71842	1.4
100.26579	1.4
103.05502	1.8
105.07018	50.3
106.07289	1.7
107.04948	1.3
107.08576	32.1
109.06504	8.7
109.10153	13.7
111.08067	1.9
115.05431	3.3
117.06999	11.9
119.08564	61.0
120.09365	2.8
121.06482	3.6
121.10130	22.3
122.07311	1.5
122.10470	1.5
123.08069	8.4
123.11684	3.9
125.05959	2.6
126.69945	1.3
128.06223	4.7
129.06995	13.1
130.07742	4.0
131.08546	31.3
132.09341	2.3
133.06477	2.4
133.08568	5.8
133.10106	30.2
134.10440	2.6
135.08066	7.8
135.11656	9.4
137.05963	1.9
137.09595	6.9
139.07524	2.2
141.06960	5.3
142.07776	12.9
143.08542	26.2
144.09343	6.6
145.08945	2.5
145.10095	45.2
147.08031	12.9
147.11679	11.6
149.09595	5.2
149.13222	2.0
151.07518	5.8
151.11156	2.0
153.09056	1.5
154.07762	2.6
155.08505	11.7
156.09348	11.4
157.10109	38.6
158.10887	8.2
159.08017	4.7
159.11652	25.9
160.08746	1.9
161.09616	5.7
161.13266	6.1
163.11131	7.5
165.06992	2.2
165.09076	24.4
167.08559	5.1
168.09273	3.7
169.10112	16.5
170.10938	7.5
171.11678	22.0
172.12404	4.5
173.09546	4.0
173.13219	18.3
175.11211	11.6
175.14777	8.1
177.09045	1.6
177.11258	3.1
177.12711	3.1
179.08499	4.6
180.09361	2.6
180.11217	1.4
181.10152	9.6
181.12212	9.3
182.10889	7.0
183.11638	14.0
184.12321	3.1
185.09645	2.2
185.13234	14.4
186.13771	1.4
187.11255	3.3
187.14778	4.4
189.12715	5.0
190.13503	3.9
191.10631	2.5
191.14349	3.1
192.09395	1.5
193.10114	5.4
193.12210	7.0
194.10886	5.3
195.11678	10.5
196.12415	7.3
197.09674	1.7
197.13206	14.7
198.13910	3.5
199.11107	2.7
199.14804	4.2
201.12766	3.7
201.16364	4.7
203.14264	11.2
206.10780	2.1
207.11659	8.7
207.13783	6.2
208.12381	4.5
208.14555	4.4
209.13225	14.1
209.15060	2.6
210.13982	3.2
211.11276	1.8
211.14815	6.6
213.12697	2.7
213.16356	2.8
215.14229	2.4
217.15843	2.7
219.11642	2.1
219.13655	2.6
220.12581	1.9
221.13301	5.4
221.15323	50.4
222.13913	1.6
222.15764	3.2
223.14839	9.5
224.15535	1.6
225.16360	3.8
227.14381	1.7
229.15793	2.0
231.11563	2.7
233.13065	3.0
233.15269	1.8
234.16115	6.8
235.14735	4.7
236.15602	2.0
237.12677	2.5
237.16370	6.0
239.14359	2.4
239.17947	3.2
241.15764	2.5
247.14867	2.5
247.16922	9.5
247.51903	1.3
249.16246	4.5
251.14265	2.1
251.17892	3.5
253.15840	3.1
253.19403	1.7
255.17458	2.3
256.26303	2.6
259.16998	1.9
261.16199	2.0
263.14334	2.0
263.17941	2.9
271.16998	2.4
273.18677	1.8
275.17871	1.7
277.19388	1.4
279.17398	2.5
281.19025	3.0
285.18350	1.5
286.19394	2.0
287.20023	2.1
291.21045	2.0
297.18906	1.8
297.22043	1.6
299.19965	8.1
300.20731	2.5
300.28888	2.1
309.21991	1.8
311.29330	5.0
319.20471	2.4
323.19901	1.4
325.21613	7.9
337.21552	5.2
339.28519	1.8
352.23920	59.0
352.28253	3.0
365.24710	10.3
371.22693	4.8
378.25543	1.9
383.25824	2.8
391.26407	2.1
397.27267	3.2
398.28094	6.5
404.30603	5.2
411.28653	1.9
412.29657	13.7
425.30344	3.3
438.31262	14.6
489.33273	3.9
491.35278	9.1
492.35406	9.0
504.35898	100.0
505.36649	2.2
524.09271	1.6
549.40533	4.5
566.40833	3.9
584.41895	29.8
584.55872	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05506	6.9
57.03412	1.3
57.07072	6.5
59.04988	2.7
63.73558	1.2
65.03919	1.6
67.05497	12.3
68.71616	1.2
69.03421	5.7
69.07072	6.8
69.76857	8.2
71.08649	2.1
75.39317	1.2
79.05481	9.4
81.07047	16.9
83.04977	3.1
83.08600	4.4
85.06507	3.1
91.05463	16.6
93.07033	23.6
95.04962	5.6
95.08595	18.7
97.06536	1.5
98.98450	2.3
103.05514	1.0
105.07016	27.2
107.04951	2.9
107.08575	15.4
109.06522	4.4
109.10137	9.6
111.08086	1.3
113.09580	1.2
115.05441	1.2
117.07018	4.6
119.08564	29.4
121.06486	3.0
121.10123	20.1
123.08057	14.5
123.11691	3.7
125.06046	1.6
128.06244	3.4
129.07001	4.8
130.07764	2.7
131.08548	12.8
133.06519	1.1
133.10115	17.6
135.08031	6.8
135.11691	8.1
137.09581	10.1
141.06981	1.6
141.48193	1.0
142.07755	8.5
143.08551	11.9
144.09326	1.3
145.10126	19.6
147.08025	14.6
147.11684	5.2
149.09605	2.8
149.13261	1.6
151.07506	12.7
154.07841	1.5
155.01009	2.4
155.08572	5.0
156.09291	5.7
157.10118	19.2
159.08105	2.0
159.11702	10.8
161.09642	4.1
161.13232	3.9
163.11200	4.2
165.09099	30.2
165.10420	2.4
167.08514	2.3
168.09325	1.3
169.10112	10.4
170.10858	2.4
171.11665	12.3
172.12321	1.4
173.09615	2.8
173.13228	10.1
175.11195	2.0
175.14839	4.8
177.09084	1.5
179.08464	2.8
180.09399	1.6
181.10159	5.6
181.12183	4.3
182.10918	3.0
183.11705	9.1
184.12540	1.6
185.13245	8.6
187.11259	1.3
187.14838	3.5
189.12717	5.1
191.08554	1.3
191.14323	2.7
192.09380	2.3
193.10100	3.6
194.10942	3.1
195.11694	7.3
195.13326	1.1
196.12492	2.7
197.13223	8.4
199.11256	1.6
199.14876	3.8
201.12827	2.3
203.08621	1.2
203.14250	12.7
206.10941	2.8
207.11714	5.8
207.13864	4.5
208.12422	2.6
209.13225	10.3
210.14059	1.3
211.11153	1.1
211.14822	4.6
213.16501	1.6
215.14317	1.7
219.11832	2.7
219.17415	1.5
220.12396	2.5
221.13280	4.8
221.15320	56.1
223.14908	4.7
225.16406	1.3
229.15765	1.3
231.11667	1.6
231.17459	2.5
233.13225	2.6
233.15373	1.5
234.14072	1.9
235.14810	4.5
237.16476	2.9
239.18050	1.4
243.11806	1.4
245.13176	2.7
246.14336	1.2
247.14864	3.1
249.16417	3.5
251.17854	2.0
253.19456	1.9
255.17569	1.2
258.14087	1.7
260.15750	1.3
261.16312	3.1
262.17090	1.2
263.18042	1.1
265.19534	1.7
267.25601	1.1
269.19006	3.0
271.17242	1.2
271.20398	1.3
272.15237	1.2
275.17838	2.6
277.19528	1.9
279.21204	1.6
281.19052	1.7
283.20654	2.3
287.20050	2.0
293.18762	1.3
295.20453	2.1
297.22177	3.3
299.20380	2.0
333.21970	1.5
341.30389	1.9
347.23315	1.3
352.23868	1.8
357.25958	1.4
365.24695	1.2
375.26810	4.4
385.28629	1.4
403.29962	5.2
473.34167	1.5
491.35117	4.2
503.35489	5.5
509.33951	1.3
547.39600	2.8
565.40369	22.8
583.41425	100.0
584.41699	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48845	0.9
53.03922	2.0
55.05254	1.5
55.05498	12.2
56.06685	0.8
57.07073	9.3
59.04991	2.4
59.76732	0.9
62.37557	0.9
65.03918	3.2
67.05496	17.0
69.03409	4.5
69.07059	13.3
69.83490	0.9
71.24822	2.5
71.45660	1.0
77.03400	1.0
77.03896	1.8
79.05067	1.4
79.05485	16.4
81.03407	1.2
81.06590	1.4
81.07046	21.2
83.04967	5.1
83.08610	8.2
85.06522	4.8
91.04902	1.7
91.05464	26.9
92.77174	1.0
93.07034	38.4
95.04958	8.9
95.08591	25.9
97.06518	4.8
103.05450	2.8
105.07018	47.3
107.08575	29.5
107.09310	1.4
109.06508	6.8
109.10146	15.3
111.08069	2.4
113.09606	1.6
115.05450	2.9
117.07013	10.3
119.08569	52.7
120.08912	1.1
121.06499	4.2
121.10125	41.4
122.07253	1.7
123.08049	13.2
123.11699	5.5
125.05991	2.2
125.09546	2.7
128.06213	7.0
129.06984	11.1
130.07820	4.8
131.08551	25.3
133.06528	1.7
133.10110	29.3
135.08020	8.4
135.11678	10.3
137.09610	5.3
139.11182	3.8
141.06998	6.1
142.07765	16.5
143.08545	26.6
143.09618	2.0
144.09326	5.8
145.08940	2.0
145.10100	38.4
146.10515	1.5
147.08052	8.4
147.11647	12.3
149.09593	6.9
149.13249	3.7
151.07526	14.9
151.11198	2.0
153.06989	3.5
154.07776	2.7
155.08557	9.4
155.10608	2.2
156.09309	11.9
157.10112	38.4
158.10880	5.2
159.08075	3.2
159.11667	19.0
161.09596	5.2
161.13213	6.8
163.11150	5.6
165.06960	3.9
165.09102	11.8
165.12756	1.3
166.07735	2.1
167.08574	7.5
167.10666	21.3
167.12006	1.9
168.09319	5.3
169.10104	21.6
170.10855	6.5
171.11664	21.7
172.12401	1.5
173.09680	2.5
173.13254	15.7
175.11143	2.6
175.14793	6.1
177.09103	1.2
177.12708	2.1
178.07788	1.5
179.08505	11.3
180.09288	4.2
181.10083	11.9
181.12218	4.2
182.10863	5.7
183.11671	18.2
184.12445	3.5
185.09616	1.6
185.13220	13.4
187.11168	1.9
187.14784	7.3
189.12711	7.1
191.08519	1.3
191.14299	3.9
192.09372	3.6
193.10118	11.4
194.10890	8.6
195.11687	16.5
196.12376	5.0
197.09583	1.3
197.13232	16.7
199.11151	2.1
199.14803	10.3
201.12752	2.0
201.16403	3.0
203.14287	6.7
204.09369	1.2
205.10109	3.5
205.15892	1.5
206.10831	4.6
207.11710	11.8
207.13809	5.7
208.12482	6.3
209.13245	19.4
209.15227	1.8
210.13969	3.5
210.56487	1.0
211.11183	1.5
211.14734	7.3
213.12735	2.1
213.16310	3.8
215.14282	2.9
217.10077	2.0
217.15900	7.2
218.11008	1.7
219.11711	6.5
220.12503	4.3
221.13248	13.6
221.15385	21.8
222.14047	2.4
223.14781	10.8
224.15518	2.2
225.16299	5.8
227.14278	2.6
229.15880	2.1
230.10841	1.5
231.11714	5.0
231.17282	1.6
232.12431	2.0
233.13210	7.0
233.15399	8.0
234.14046	3.1
235.14830	7.8
235.16934	1.7
236.15437	1.8
237.16359	7.3
239.17996	3.4
241.15987	1.4
243.17101	1.1
244.12227	1.9
245.13223	5.6
246.13997	4.3
247.14798	6.7
248.15498	2.3
249.16322	6.7
250.17268	1.8
251.17973	5.0
253.19353	1.5
257.13190	2.5
257.19016	3.6
258.13962	2.0
259.14798	4.5
260.15527	3.6
261.16315	8.0
262.17090	2.2
263.17920	4.6
264.18671	1.5
265.19458	5.4
267.17520	1.5
269.18896	4.7
271.20587	1.7
273.16248	2.5
274.17130	2.7
275.17801	8.1
277.19562	3.7
279.21097	1.4
283.20465	9.3
285.22006	1.0
287.17926	3.0
289.19580	2.3
290.20413	1.2
291.21060	1.4
293.19046	1.6
295.20581	2.9
297.22195	2.4
300.21115	1.3
301.19318	1.7
307.20700	1.7
315.21030	2.3
317.19247	1.3
317.22610	2.3
323.18015	1.6
327.21252	1.4
331.24179	2.7
333.22046	1.7
335.23572	2.1
337.25336	1.5
347.23581	1.8
349.25162	5.4
357.25659	2.4
359.23590	1.3
361.25290	2.1
375.26895	2.6
401.28339	1.4
403.29980	4.3
491.34906	2.3
503.35229	1.5
509.34238	2.8
547.39404	3.0
565.40363	21.1
583.41400	100.0
584.41827	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.6
53.03933	3.8
55.05500	16.9
57.07071	10.6
59.04982	4.5
64.39236	1.0
65.03925	4.6
67.05492	29.6
67.33538	1.1
68.01083	1.2
69.03409	7.5
69.07056	22.4
69.52430	12.7
71.04967	1.7
71.08609	1.5
74.86806	1.1
77.03899	1.9
79.05479	27.2
81.03387	1.7
81.07040	36.3
82.18723	1.2
83.04975	9.6
83.08605	9.6
85.06531	8.4
91.05466	50.4
93.07026	64.2
95.04951	15.4
95.08590	38.9
97.06513	6.8
98.98415	1.6
99.08076	1.4
103.05450	5.9
105.07010	83.2
107.04930	2.0
107.08577	54.2
109.06499	12.7
109.10126	23.5
111.08056	3.9
115.05403	6.2
116.06258	2.2
117.06991	20.4
118.07795	1.1
119.08560	96.7
121.06528	6.3
121.09249	2.6
121.10123	53.2
123.08041	19.4
123.11689	6.5
125.05968	5.1
125.09605	4.0
128.06206	12.7
129.06992	20.6
130.07758	8.8
131.08543	42.4
131.40236	1.2
133.06451	3.2
133.10101	43.5
135.08032	11.2
135.11664	15.9
137.09599	13.8
139.11157	3.0
141.06956	9.9
142.07765	24.7
143.08536	47.8
144.09344	6.4
145.06467	2.6
145.10098	60.4
147.08015	19.2
147.11655	16.9
149.09610	7.9
149.13281	2.9
151.07527	13.9
151.11182	2.1
153.07008	5.0
153.09027	1.3
154.07767	3.7
155.00987	2.0
155.08537	24.7
156.09328	22.3
156.10606	1.4
157.10103	58.5
158.10901	9.9
159.08066	5.2
159.11674	28.9
159.12941	2.1
161.09555	6.3
161.13243	8.3
163.11137	11.5
165.07019	7.8
165.09079	32.3
165.10387	2.1
166.07716	3.2
167.08543	12.6
167.10643	14.9
167.28195	1.3
168.09300	11.3
169.10098	30.6
170.10912	11.3
171.11661	35.7
172.12456	1.9
173.09645	4.4
173.13208	25.8
175.11215	4.0
175.14766	11.5
177.09138	2.4
178.07808	3.5
179.08542	20.6
180.09325	7.8
181.10114	17.6
181.12128	10.9
182.10875	13.3
183.08180	1.4
183.11667	32.8
184.12466	6.7
185.09650	2.6
185.13246	19.1
185.14760	2.0
187.11197	2.9
187.14786	9.6
189.12708	6.1
189.16313	1.4
191.08588	3.2
191.14333	9.4
192.09308	6.9
192.11349	1.3
193.10095	18.2
194.10884	14.3
195.11649	30.3
196.12486	6.9
197.13213	20.9
198.14041	2.9
199.11110	2.2
199.14786	18.1
201.12782	1.6
201.16368	4.3
203.08633	2.5
203.14267	16.0
205.10086	5.7
206.10811	9.5
207.11699	23.9
207.13828	5.6
208.12402	10.3
209.13237	33.7
209.15173	1.4
210.13974	4.2
211.11154	2.9
211.14786	12.7
212.15572	1.2
213.12769	2.8
213.16394	4.0
215.14330	4.0
216.09380	2.2
217.10081	4.3
217.15804	11.4
218.10939	3.5
219.11670	8.3
219.13573	1.5
219.17578	1.5
220.12431	7.2
221.13254	18.1
221.15385	59.6
222.13991	4.5
223.11192	1.4
223.14774	15.2
224.15424	2.1
225.12822	1.8
225.16313	8.1
227.14299	3.7
227.17970	2.3
229.10150	2.3
229.15717	2.1
230.10910	3.4
231.11697	9.4
231.17381	2.6
232.12453	5.4
233.13249	12.9
233.15398	8.2
234.14020	6.9
235.14790	15.0
236.15576	3.8
237.12753	1.7
237.16362	8.8
239.17949	6.4
243.11734	3.7
243.17438	2.4
244.12366	3.0
245.13210	10.0
246.13997	6.1
247.14758	11.7
247.16878	1.5
248.15619	2.8
249.16299	10.1
250.17236	2.9
251.14067	1.5
251.17964	6.2
253.15936	1.7
253.19510	2.4
255.17427	1.3
257.13257	3.7
257.19003	9.9
258.13968	1.5
259.14700	7.1
260.15561	5.6
261.16263	10.7
262.17249	1.7
263.14697	1.2
263.17807	7.0
264.18716	1.3
265.15909	1.2
265.16919	1.4
265.19431	9.6
269.18967	3.2
271.14932	3.6
271.20459	2.8
272.15518	2.7
273.16370	5.5
274.16907	2.9
275.17883	12.9
276.18512	1.6
277.19547	4.5
278.20227	1.7
281.19125	1.7
283.14856	1.4
283.20508	16.2
286.19440	2.5
287.17841	3.8
287.20468	2.9
289.16217	1.7
289.19489	4.8
291.20993	2.8
293.18985	2.6
295.20648	4.4
297.22101	3.3
299.17596	2.2
300.20889	2.7
301.19199	1.9
303.20911	2.6
305.19052	1.3
305.22705	1.5
307.20648	2.9
309.22055	2.3
311.20288	1.5
315.21054	2.9
317.22690	2.3
329.22684	2.0
331.24121	6.5
333.22101	1.9
341.22632	2.0
343.24316	1.7
347.23819	2.7
349.25125	8.3
351.23291	1.3
352.24030	2.3
357.25943	1.8
359.27643	1.3
361.25320	3.9
365.24741	2.9
373.25458	1.6
375.26801	6.7
403.30249	2.8
419.29257	1.3
473.34421	1.5
491.34946	6.0
503.34769	2.9
509.34174	1.9
547.39667	5.6
565.40332	20.3
583.41400	100.0
584.42078	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01874	0.8
55.05499	7.9
57.07062	7.1
59.04981	2.2
65.03930	1.6
67.05492	14.5
68.96500	0.6
69.03413	5.0
69.07056	9.4
69.52070	7.3
79.05481	14.2
81.03397	0.8
81.07037	16.5
83.04966	4.3
83.08613	4.3
85.06525	4.0
87.04510	0.7
91.05465	23.0
93.07024	31.9
95.04945	7.2
95.08585	23.4
95.09186	1.4
97.06516	3.1
97.10165	0.7
98.21495	1.5
100.11223	0.9
103.05439	2.0
104.06207	0.7
105.07010	40.2
106.07314	1.0
107.08568	23.1
109.06480	4.9
109.10133	12.3
111.08049	1.7
113.09621	0.8
115.05441	2.6
116.06237	1.4
117.06997	9.4
119.08560	42.9
121.06485	2.9
121.09229	1.4
121.10120	28.2
123.08042	13.3
123.11681	3.7
125.05956	2.1
125.09621	1.1
128.06197	5.9
128.15878	0.7
129.06985	8.3
130.07761	4.1
130.29834	0.6
131.08542	17.9
133.06493	1.7
133.10107	24.4
135.08035	7.9
135.11653	9.2
137.09575	9.1
139.07544	1.0
139.11197	1.5
141.06964	5.5
142.07751	12.0
143.08537	22.4
143.09604	1.4
144.09357	3.7
145.06447	1.2
145.10103	26.8
146.10463	0.8
147.08018	12.9
147.11650	8.4
149.09605	3.0
149.13243	2.5
151.07526	11.6
151.11133	0.9
153.06926	3.4
154.07785	1.9
155.08530	10.6
156.09314	11.2
157.10106	29.0
158.10941	4.9
159.08046	2.4
159.11655	17.5
159.12897	1.1
160.12474	0.9
161.09589	4.6
161.13226	6.6
163.11157	4.4
165.07024	4.1
165.09088	24.0
166.07753	2.4
167.08525	5.3
167.10616	5.5
168.09280	4.8
169.10092	13.9
170.10886	5.9
171.11649	18.5
172.12431	2.0
173.09645	2.0
173.13235	14.9
175.11189	3.1
175.14801	5.2
177.12744	1.0
178.07809	1.0
179.08527	7.5
180.09265	4.4
181.10095	9.6
181.12070	4.3
182.10904	6.0
183.11649	16.8
184.12418	2.8
185.09666	1.0
185.13202	10.2
187.11253	1.1
187.14755	4.7
189.12714	5.5
189.16377	1.6
191.08569	1.7
191.10693	0.9
191.14223	4.1
192.09332	2.9
193.10112	8.4
193.11798	1.3
194.10864	7.5
195.11659	15.3
196.12500	4.2
197.09535	0.9
197.13225	13.6
198.13918	1.1
199.14781	8.2
201.12721	1.4
201.16420	2.0
203.08577	1.2
203.14273	11.1
204.09279	1.0
205.10153	2.8
206.10870	5.8
207.11699	11.1
207.13809	5.3
208.12428	3.8
208.52336	0.7
209.13229	18.1
209.15221	1.5
210.13966	1.8
211.14789	7.1
213.12691	1.7
213.16263	3.6
215.14293	1.4
217.10127	2.2
217.15878	6.2
218.10982	1.7
219.11609	5.6
220.12430	3.4
221.13248	10.0
221.15376	42.8
222.13998	3.1
223.14789	10.1
224.15546	0.8
225.12616	1.1
225.16350	3.3
227.14301	1.8
229.15895	1.3
230.10909	1.4
231.11713	4.0
231.13722	1.1
231.17433	2.5
232.12408	2.4
233.13223	6.2
233.15384	3.5
234.13892	2.4
235.14749	6.3
235.16722	0.8
236.15596	1.7
237.16318	4.8
239.14252	1.4
239.17957	2.9
243.11700	1.9
243.17392	1.2
244.12413	1.4
245.13278	4.4
246.14053	3.2
247.14818	6.3
247.16985	2.1
248.15527	1.6
249.16383	5.6
250.17125	1.4
251.17915	3.8
253.15862	1.5
253.19463	1.6
255.17311	1.1
257.13269	1.3
257.18933	4.5
258.14090	1.2
259.14810	3.3
260.15601	2.5
261.16309	4.9
262.17151	1.5
263.17853	4.4
265.19470	5.6
267.17496	1.1
269.19077	3.4
271.14813	2.0
271.20612	2.0
273.16342	2.1
274.17041	1.1
275.17865	5.4
276.18411	0.9
277.16479	0.7
277.19437	3.5
279.17355	0.9
279.21033	2.7
281.18988	2.3
283.14969	0.8
283.20490	8.9
285.16046	1.0
286.19415	1.4
287.17599	1.6
287.20190	2.1
289.16425	0.9
289.19284	3.3
291.20935	2.0
293.18948	2.1
295.20444	3.4
297.16309	1.2
297.22116	2.8
299.17355	0.9
299.20313	1.3
301.19360	2.0
303.20944	1.0
307.20734	1.2
309.22043	1.0
315.21011	1.5
317.22589	1.5
319.24081	0.8
321.22089	1.0
329.22665	1.5
331.24155	3.3
332.78702	0.9
333.22195	2.1
335.23727	1.1
343.24289	1.6
347.23587	1.7
349.25229	4.9
352.23895	1.5
357.25757	1.4
359.23679	1.0
361.25385	1.8
365.24844	1.7
375.26758	6.9
385.28784	1.2
401.28476	0.9
403.29837	6.1
415.15491	0.7
425.28558	1.1
427.29834	1.2
491.35312	1.8
503.35141	4.1
509.34058	1.1
547.39124	2.3
565.40326	23.9
566.40656	2.2
583.41382	100.0
584.41876	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.7
55.01870	2.3
55.05497	15.8
57.03421	1.6
57.07061	12.4
59.04987	4.5
63.04183	1.8
65.03930	4.8
67.05495	31.5
68.57249	1.5
69.03413	9.3
69.07052	27.7
71.04974	1.9
79.05476	32.6
81.07039	40.7
83.04964	11.8
83.08594	13.1
85.02865	1.8
85.06528	7.8
91.05463	46.9
93.07027	70.6
94.07336	1.9
95.04942	18.3
95.08588	41.2
97.06514	11.2
97.10167	3.8
99.08092	2.4
103.05450	4.7
105.07011	85.8
107.04955	3.0
107.08573	55.1
109.06511	12.6
109.10135	27.7
111.08080	4.1
115.05447	7.1
116.06204	2.1
117.07000	19.5
119.08556	96.2
121.06452	4.4
121.10120	72.9
123.08045	14.5
123.11697	9.1
124.84305	1.9
125.06026	3.3
125.09612	5.4
128.06194	14.4
129.07002	16.4
130.07755	7.9
131.08540	40.1
133.06519	4.1
133.10104	54.7
134.10577	2.3
135.08026	11.2
135.11656	18.4
137.09607	13.5
139.11160	5.5
141.06979	12.9
142.07764	25.4
143.08537	45.3
143.09599	2.9
144.09352	10.3
145.06458	3.6
145.10095	58.9
146.10443	2.4
147.08049	7.2
147.11655	25.3
149.09583	14.2
149.13246	5.5
151.07458	8.9
151.11166	3.2
153.06941	6.6
154.07777	4.7
155.08524	21.8
155.10654	4.6
156.09303	20.7
157.10100	58.7
158.10905	10.2
159.08060	6.5
159.11653	32.9
161.09579	9.3
161.12080	1.7
161.13187	10.8
163.11165	7.8
163.14851	1.9
165.07008	7.1
165.09050	14.6
165.12726	2.0
166.07768	3.8
167.08585	10.4
167.10651	48.6
167.12009	3.3
168.09328	7.8
169.10101	37.1
170.10931	8.1
171.11653	35.8
173.09592	5.0
173.13235	29.6
175.11174	5.4
175.14787	15.3
177.09029	2.0
178.07799	2.0
179.08499	18.3
180.09315	7.1
181.10062	19.0
181.12227	6.1
182.10875	9.9
183.11670	28.6
184.12456	5.5
185.09587	5.0
185.13248	18.4
187.11163	4.4
187.14796	10.2
189.12717	8.7
189.16377	2.8
191.14294	10.6
192.09325	6.8
193.10080	11.9
194.10867	10.9
195.11633	22.7
196.12460	8.0
197.13206	26.1
198.13977	2.2
199.11249	3.7
199.14795	25.7
201.12779	2.7
201.16422	7.7
203.14331	7.8
205.10121	4.0
206.10898	6.7
207.11719	17.9
207.13840	6.5
208.12447	8.6
209.13240	27.4
210.13898	3.4
211.11211	3.6
211.14760	11.9
213.12772	3.1
213.16411	7.0
215.14316	6.6
216.09230	2.3
217.10124	2.2
217.15845	19.0
218.10867	3.5
219.11688	7.3
220.12454	7.9
221.13228	16.1
221.15387	31.4
222.14012	4.2
223.14841	18.2
224.15459	2.9
225.12830	2.4
225.16374	8.1
227.14328	3.2
229.10306	2.1
229.87370	2.2
231.11684	5.3
231.17430	3.0
232.12486	5.2
233.13213	10.1
233.15410	17.0
234.13948	2.6
234.16049	2.4
235.14777	16.3
236.15491	5.1
237.16344	9.2
239.14365	2.4
239.17923	5.2
241.19403	2.0
243.17473	2.6
244.12439	3.2
245.13266	10.5
246.13977	4.8
247.14764	9.8
248.15332	4.3
249.16443	11.4
250.17137	2.2
251.17903	5.7
253.16013	3.0
253.19470	2.1
255.17354	2.2
257.13181	2.2
257.19073	8.2
258.14005	3.3
259.14825	7.8
260.15591	4.6
261.16318	10.9
262.16946	2.4
263.17953	6.5
265.19473	7.6
267.17484	2.5
269.13272	2.6
269.19012	4.7
271.14639	2.3
271.20575	3.7
272.15582	2.6
273.16388	6.2
274.16953	2.5
275.17804	10.3
277.19482	3.2
281.18988	2.8
282.19864	2.2
283.15051	2.5
283.20532	14.3
285.18820	2.3
287.20438	2.7
289.19562	4.9
291.21112	4.1
293.18887	2.8
295.20505	5.1
301.19321	4.0
305.19159	2.6
307.20645	2.8
315.21194	2.0
317.22629	3.6
327.20901	2.1
331.24243	3.9
335.23602	2.7
343.24017	2.3
347.23901	3.2
349.25375	7.2
357.25906	2.7
359.23541	2.2
361.25229	3.6
365.24640	2.3
373.25491	3.0
375.26770	4.3
491.34375	4.4
509.35275	2.1
514.68713	1.9
529.94556	1.8
547.39008	2.8
565.40277	17.1
583.41345	100.0
584.41711	7.3
592.34863	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.05497	18.5
57.07065	11.4
58.28386	2.7
65.03955	4.1
67.05492	29.1
69.03428	5.9
69.07053	25.5
70.11069	17.0
79.05491	26.7
81.07041	43.2
83.04981	9.5
83.08617	11.0
85.06510	5.0
91.05457	44.9
93.07030	63.6
95.04959	17.5
95.08594	45.7
97.06513	9.5
105.07015	82.5
107.08570	58.3
109.06523	15.2
109.10110	28.8
109.10730	2.7
111.08092	3.8
112.30514	2.7
112.55053	3.1
115.05462	6.2
116.06248	2.8
117.06979	20.6
119.07717	6.0
119.08565	88.7
119.09396	5.2
121.06521	4.5
121.10128	63.4
121.10954	4.3
123.08083	12.5
123.11680	6.7
123.40839	2.8
125.05964	4.1
125.09647	4.3
128.06219	13.1
129.07002	14.9
130.07779	7.6
131.08557	39.8
133.06447	3.3
133.10106	56.9
135.08067	8.0
135.11682	21.2
137.05931	3.2
137.09628	10.3
139.11151	4.6
141.06964	7.3
142.07758	26.3
143.08553	36.8
144.09323	6.0
145.10092	62.0
147.08038	15.3
147.11673	15.2
149.09624	11.1
151.07544	8.6
153.06984	5.9
154.07793	5.9
155.08495	14.6
156.09346	15.2
157.10106	54.9
158.10912	10.8
159.08104	6.5
159.11646	28.2
161.09639	8.6
161.13260	12.5
163.11197	7.3
165.07019	8.5
165.09113	19.0
166.07739	4.5
167.08536	10.6
167.10663	45.0
168.09334	8.8
169.10120	27.7
170.10916	4.9
170.39804	3.0
171.11673	36.3
173.09648	4.2
173.13222	34.0
175.11227	8.0
175.14767	16.1
179.08543	14.4
180.09341	6.7
181.10048	17.8
181.12234	7.5
182.10944	8.3
183.11635	24.6
184.12521	4.1
185.09564	3.2
185.13245	17.9
187.11244	4.4
187.14832	9.4
189.12761	4.3
189.16516	3.1
191.14320	9.6
192.09319	7.1
193.10077	17.2
194.10896	10.2
195.11691	22.2
196.12433	8.0
197.13214	25.4
199.11166	4.0
199.14859	12.5
201.12834	4.1
201.16438	5.9
203.14398	8.4
205.10133	6.1
206.10890	8.0
207.11707	18.2
207.13742	6.5
208.12512	9.2
209.13261	29.4
211.11241	4.3
211.14839	14.3
213.16345	3.9
215.14296	6.2
217.15923	11.1
218.10907	4.3
219.11717	8.1
219.17468	4.0
220.12469	6.2
221.13248	16.1
221.15411	30.4
222.13994	7.5
223.14851	14.8
225.16479	4.6
229.15855	3.6
231.11768	5.7
232.12521	6.1
233.13226	8.3
233.15436	16.9
234.13934	5.3
235.14865	12.3
237.16460	8.9
239.14439	3.3
245.13234	6.7
246.13965	4.2
247.14792	11.1
249.16374	5.4
251.18085	6.1
257.13229	3.9
257.19052	9.3
258.14261	3.2
259.14844	6.6
260.15802	3.8
261.16385	11.4
263.17953	7.1
265.19531	6.2
273.16293	6.1
275.17935	8.5
277.19611	4.8
283.20438	15.0
289.19565	6.7
299.20224	3.9
301.19373	3.7
307.20654	3.9
311.20181	4.6
349.25281	8.3
375.26758	7.2
491.35031	9.6
547.38977	3.1
565.39893	16.5
583.41418	100.0
584.41699	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	583.3983
Annotation	Camaryolic acid
Peak:m/z	Relative Intensity
52.80048	2.3
53.03941	5.7
53.75526	2.4
53.80300	2.1
53.88381	2.3
55.01859	3.4
55.05500	20.1
57.03427	6.4
57.07067	4.0
63.06761	2.3
65.03920	2.8
67.05488	28.9
69.03410	5.3
69.07055	28.3
71.04978	17.7
71.79510	3.6
73.02893	2.9
79.05485	21.1
81.03411	8.5
81.07039	48.0
83.04964	31.7
83.08600	8.6
84.32156	2.3
85.02892	22.2
85.06502	3.9
91.05453	28.5
93.07026	54.8
95.04954	25.7
95.08583	59.5
96.54736	2.5
97.02878	3.2
97.06524	8.5
97.10165	8.9
99.04442	5.8
99.08028	2.4
105.07007	46.9
106.30676	2.4
107.04944	4.1
107.08572	74.6
107.10585	2.7
109.02827	3.0
109.06487	16.5
109.10138	51.2
111.04426	20.8
111.08059	9.7
117.07022	8.0
117.87334	2.3
119.08559	55.8
121.06477	7.2
121.09249	3.3
121.10118	60.7
121.10952	3.5
123.04390	3.5
123.08033	8.7
123.11686	44.3
123.12514	4.4
125.05945	4.3
125.09615	8.0
129.05457	7.4
129.06976	6.5
129.68138	3.2
131.08539	23.4
133.06458	2.8
133.10106	47.7
133.11000	4.4
135.08061	10.8
135.11667	59.4
137.09608	7.4
137.13254	8.7
139.07553	5.8
139.11133	3.0
141.06976	3.4
143.08514	13.7
145.06467	3.5
145.10081	29.3
147.08038	6.3
147.11650	40.0
149.09592	9.6
149.13188	16.2
151.07486	4.7
151.11147	4.1
151.14783	3.0
153.09100	3.4
155.08549	3.1
157.10103	20.4
158.10904	2.7
159.08070	10.0
159.11668	29.5
161.09637	6.8
161.13239	20.4
163.07483	2.2
163.11162	7.5
163.14806	7.0
165.09120	7.2
165.12721	3.1
167.08511	2.4
169.10178	7.1
171.11664	13.1
173.09541	8.9
173.11809	3.7
173.13165	17.4
175.07520	2.9
175.11165	8.8
175.14832	10.6
177.09093	4.9
177.12743	4.5
177.16344	6.6
179.10629	5.1
181.10175	2.3
181.12250	3.2
183.07939	2.8
183.11722	7.7
185.09662	2.9
185.13200	16.3
187.11156	2.8
187.14821	14.8
189.09026	4.7
189.12709	3.3
189.16307	12.9
191.10689	8.3
191.14288	3.3
191.17886	15.3
193.12239	4.6
194.42995	2.4
195.11668	5.3
197.13193	7.8
199.14815	10.8
201.12718	8.6
201.16339	9.5
203.17918	12.3
205.12207	4.4
211.14787	7.4
213.12729	5.8
213.16342	5.9
215.14311	4.4
215.17973	6.9
217.12196	5.6
217.19427	3.3
219.13739	4.4
225.16331	5.1
227.17871	3.8
231.13753	2.4
233.15405	3.2
237.16505	2.7
239.17996	3.2
243.17477	2.4
245.15411	3.5
247.17030	7.4
253.19577	2.8
259.16922	3.6
271.20477	2.4
313.21475	2.8
315.23169	8.1
329.20831	4.0
367.63953	2.4
369.27957	3.5
383.29297	4.6
403.24783	5.3
421.25836	9.2
423.28635	3.1
437.34073	25.5
449.34094	7.1
453.66852	2.4
455.35223	14.1
461.34131	3.8
465.33472	7.8
467.34888	9.2
473.33356	2.6
479.35114	8.3
481.36813	3.1
483.34750	4.1
491.34967	4.4
495.34177	2.9
497.36301	2.8
503.35098	4.2
505.36777	4.2
507.34482	10.1
509.36383	23.5
519.38269	6.0
521.36316	4.3
523.37708	4.2
529.36707	12.2
537.39209	7.4
547.29504	2.4
547.37640	42.6
548.38013	3.9
565.31116	3.4
565.38770	100.0
566.39209	3.0
583.30792	6.0
583.39789	67.6
584.40167	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	582.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01879	4.5
55.05503	34.0
57.03423	18.7
57.07046	4.4
67.05493	66.9
69.03416	3.3
69.07056	23.5
71.04990	4.7
79.05486	35.5
81.03401	62.3
81.07042	77.6
83.04965	15.0
83.08611	34.6
85.02878	24.0
85.06519	4.8
91.05467	41.4
93.07022	33.5
95.04974	25.3
95.08591	49.9
97.06486	5.1
97.10144	7.8
105.07001	29.7
107.04938	7.5
107.08582	12.6
107.95611	2.2
109.06519	3.7
109.10148	16.9
111.04449	3.3
111.08049	11.5
113.06026	2.6
119.08561	25.5
121.10111	15.5
123.08010	3.1
123.11679	8.3
129.06953	9.4
130.91211	2.2
131.08548	11.9
133.06415	4.2
133.10080	17.2
135.11697	4.5
137.09576	3.9
145.10124	6.5
147.08029	3.3
147.11687	17.6
149.09610	8.5
157.10100	18.2
161.13251	2.6
165.12616	2.7
167.82576	2.1
171.11661	2.4
175.11134	16.1
191.50938	2.1
193.12216	50.3
211.13258	76.9
245.22365	2.8
263.23666	4.0
267.15872	17.8
284.40482	2.0
285.16928	86.1
337.27313	100.0
520.16431	2.9
529.38770	12.0
542.95044	2.3
546.22131	2.8
547.39868	88.5
548.40033	3.4
582.40375	16.0
583.41113	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	582.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
54.63221	1.5
55.01854	1.4
55.05504	18.9
57.03427	13.2
57.07068	5.6
65.03922	1.8
67.05497	45.8
69.03444	2.9
69.07058	21.1
69.21909	1.3
71.04972	3.4
71.08634	1.8
79.05488	24.0
81.03407	36.8
81.07044	46.1
83.04954	9.5
83.08604	26.4
85.02906	12.7
85.06520	3.4
87.04448	6.2
89.06053	2.3
91.05464	21.0
93.07027	21.1
95.04950	17.8
95.08595	35.6
96.08912	1.5
97.02863	2.1
97.06524	4.6
97.10168	6.4
105.07014	18.9
107.04930	2.1
107.08577	11.4
109.06510	3.0
109.10131	16.9
109.46172	1.4
111.04450	1.6
111.08067	7.9
116.65136	1.5
117.06966	2.0
119.08572	17.1
121.10133	10.2
123.08048	2.3
123.11669	4.3
129.06985	5.1
131.08553	7.2
133.06401	1.7
133.10106	10.1
135.11681	6.9
137.09587	2.8
137.13214	1.8
142.07730	1.6
143.08543	1.8
144.00142	1.3
145.10095	4.8
147.08015	2.0
147.11678	12.5
149.09602	5.0
149.13281	2.2
157.10139	6.7
159.11755	2.2
175.11165	8.0
181.74161	1.4
193.12227	23.7
195.11734	1.4
209.13168	1.5
211.11238	2.3
211.13258	36.1
227.12643	1.5
229.95677	1.6
240.54286	1.4
245.22673	1.7
263.23648	3.9
267.15863	6.6
283.26288	13.0
285.16916	39.1
337.27328	83.1
338.27670	4.4
442.35950	1.5
489.35870	2.2
529.39264	7.2
547.39886	100.0
548.39709	2.1
582.40417	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	583.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01865	0.7
55.05492	0.5
57.07067	0.6
58.06581	0.9
60.90590	0.5
67.05499	0.9
69.03421	0.7
69.07062	13.1
70.02943	1.3
70.06566	1.1
71.08613	0.7
71.46227	0.6
71.46550	1.0
79.05479	1.0
80.04997	1.0
81.03403	1.3
81.07039	0.7
84.08136	2.5
85.02888	1.2
86.09695	100.0
87.10030	1.2
91.05473	1.7
93.06995	0.7
95.04966	0.7
95.08593	0.9
96.04465	1.0
96.08111	0.8
97.02901	0.6
97.06515	3.7
98.09686	2.7
99.04428	0.5
103.05464	0.8
105.07001	1.7
107.04955	0.9
107.08620	0.9
109.02858	0.8
111.00388	0.5
112.07600	1.8
114.09156	2.9
114.12788	0.7
117.05747	0.5
117.07009	3.0
119.04915	1.8
121.06511	1.2
124.03938	36.3
125.04379	0.6
126.09119	0.7
129.10193	0.7
130.08609	1.6
131.04900	1.3
131.08531	0.8
132.08084	2.8
133.06470	3.8
133.10161	0.9
135.04439	0.9
137.05995	2.6
141.10228	2.3
143.04912	0.8
145.02837	2.2
145.06474	6.6
147.04401	3.1
149.05960	5.0
154.15910	6.1
157.09702	3.9
160.07559	15.9
161.05952	4.2
162.09109	7.9
163.03926	2.1
163.07532	1.7
165.05510	1.7
167.07036	1.9
170.06013	2.0
171.04436	1.4
172.07608	1.1
173.06006	2.2
175.03911	1.8
175.07623	0.6
177.05467	4.7
178.08611	20.9
181.16992	0.8
182.15457	1.1
188.07033	10.7
189.05446	2.5
190.08646	1.6
191.07001	4.8
192.06549	0.9
199.18092	1.4
202.12419	0.6
205.09709	6.3
206.08145	4.8
207.06494	2.7
208.09706	4.3
216.06583	2.2
219.06511	0.6
223.10715	3.5
224.09172	2.3
225.15923	3.6
228.13924	0.9
233.09363	0.6
234.07573	5.1
245.16577	0.7
246.14894	0.8
251.10313	2.3
256.13364	1.7
260.12830	2.3
262.07172	0.9
273.15964	9.3
274.14310	1.2
285.16040	0.6
291.16968	13.0
300.17059	0.7
301.15375	3.8
302.13806	8.0
312.36670	0.5
313.15320	0.6
318.18115	7.4
319.16422	12.9
320.14966	0.6
329.14691	0.7
347.15967	9.3
348.16345	0.6
364.18646	1.2
386.24399	2.8
414.23834	1.9
432.24878	9.9
433.25473	0.8
442.23462	2.4
460.24374	62.2
461.24591	2.4
555.27881	4.6
583.27594	89.0
584.28088	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3981
Annotation	Camaryolic acid
Peak:m/z	Relative Intensity
50.86485	1.6
55.01852	3.0
55.05492	14.8
57.03435	3.5
57.07056	4.9
65.44532	1.7
67.05495	23.0
69.03422	5.8
69.07058	21.8
69.62625	7.8
69.63061	10.9
71.04984	13.6
77.19644	1.7
79.05481	18.2
81.03400	3.0
81.06588	3.9
81.07043	47.9
83.04971	27.7
83.08614	7.2
85.02888	19.7
85.06509	2.3
91.05457	21.9
93.07030	51.9
93.35396	1.9
95.04951	18.0
95.08591	57.3
97.02888	2.9
97.06528	7.8
97.10184	5.0
99.04437	6.3
105.07011	41.0
105.07705	2.8
107.04933	2.9
107.08572	68.9
109.06515	10.8
109.10146	46.0
111.04412	17.8
111.08070	7.0
117.06976	9.0
119.08556	54.4
121.06482	4.9
121.09247	3.2
121.10123	64.3
122.10470	2.2
123.08067	13.3
123.11688	40.1
125.06019	5.9
125.09630	8.8
129.05447	9.0
129.06963	3.9
131.08557	19.6
133.10104	50.8
135.08041	7.6
135.11671	52.7
137.05998	2.0
137.09612	6.0
137.13248	11.0
139.07559	4.3
141.07019	2.7
143.08533	10.8
145.06505	2.4
145.10100	29.1
147.08015	6.1
147.11670	28.0
149.09613	6.8
149.13246	16.9
151.05075	1.9
151.07535	5.9
151.11189	2.4
153.09106	3.6
155.08508	5.2
157.10088	14.3
159.08038	7.1
159.11670	28.5
161.09633	6.7
161.13220	23.6
163.07573	3.2
163.11151	5.9
163.14764	10.6
163.66092	1.9
165.09113	8.1
169.10153	6.0
170.10905	2.7
171.11682	13.7
173.09569	10.3
173.13205	15.8
175.11198	6.8
175.14767	9.9
177.09129	6.8
177.12762	4.9
177.16377	5.8
179.10651	3.2
181.10153	2.3
181.12245	2.4
183.10252	2.4
183.11711	8.6
185.09587	2.0
185.13263	10.6
187.11177	4.8
187.14781	15.4
189.12698	4.8
189.16344	11.0
191.10677	4.2
191.14232	3.4
191.17914	11.4
193.12227	2.1
196.49944	2.0
197.13266	6.7
199.11119	2.9
199.14825	8.4
201.11140	2.3
201.12764	8.0
201.16368	9.6
203.17894	15.9
205.12294	2.3
209.13219	3.5
211.11104	3.8
211.14780	3.7
213.12776	3.6
213.16313	3.9
215.14362	3.5
215.17978	4.6
217.12277	4.3
217.19695	2.9
219.13892	4.5
221.13252	2.9
225.16248	2.6
227.17924	3.9
229.19527	2.3
231.13837	3.5
233.15359	2.5
237.16388	2.4
241.19427	2.2
243.13673	2.5
245.15450	3.5
247.17059	5.5
253.19482	2.4
255.20952	2.9
257.15460	2.4
281.22644	2.2
285.18497	2.5
313.21640	2.7
315.23242	5.5
323.30542	2.0
369.27881	3.1
383.29346	4.6
395.29510	3.1
413.30618	2.8
435.33105	2.9
437.34195	33.7
438.34091	2.7
449.34113	8.2
453.33896	9.6
455.35275	13.6
461.34445	3.5
463.35822	2.8
465.33823	7.8
467.35342	14.4
479.35245	7.3
481.37158	3.1
483.35272	2.4
485.36108	3.0
491.35184	6.4
493.37369	2.1
497.36401	4.8
505.36826	4.2
507.34528	14.8
509.36261	24.3
511.36118	2.3
519.38507	3.9
521.36237	6.8
523.37836	9.7
529.36682	12.4
537.39429	6.0
539.37531	3.0
547.37732	59.0
548.37360	2.5
565.38800	100.0
583.39899	87.2
608.62793	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	582.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.3
55.01821	1.6
55.05466	1.8
57.03422	3.1
59.04959	0.4
61.02919	4.7
62.61533	0.4
63.93849	0.4
64.88166	0.4
67.05448	1.4
68.07858	0.4
69.03418	9.3
69.07018	1.2
70.06587	0.4
71.04977	2.1
73.02857	1.7
79.05470	2.0
81.03403	4.1
81.07044	7.2
83.01308	0.6
83.08564	1.2
84.04491	0.5
85.02892	50.4
85.06488	1.0
86.09698	0.8
87.04429	1.5
91.03951	2.2
91.04390	0.4
91.05462	2.6
93.07028	16.0
95.04919	1.0
95.08102	0.5
95.08592	5.4
97.02879	14.8
97.06463	0.4
98.05981	0.5
98.21468	0.7
99.04430	2.4
99.08086	0.5
105.01759	0.5
105.07034	4.2
107.04947	2.4
107.07909	0.5
107.08566	5.2
109.02271	0.5
109.02863	5.2
109.06500	0.6
109.10159	2.2
111.04403	0.8
111.08054	0.9
113.09621	0.6
115.03921	0.5
117.03373	0.5
117.06944	0.7
118.35332	0.4
119.04894	1.7
119.08559	2.7
121.06483	3.6
121.10128	7.7
123.11648	1.4
125.05962	2.3
126.05505	0.5
127.03896	13.0
131.08559	0.8
133.10092	1.1
135.07970	0.7
135.11673	14.2
137.05945	1.4
137.13206	2.9
139.07507	4.0
144.06531	1.6
145.01811	0.4
145.02888	1.1
145.04941	17.8
145.10132	4.1
147.04387	6.8
147.11703	2.0
147.12697	0.4
149.05948	1.8
149.09555	0.8
149.13229	1.3
151.07498	0.8
153.09019	1.3
162.07651	1.0
163.03935	0.5
163.06027	5.7
163.11163	9.6
167.07082	3.1
169.68349	0.4
173.09596	1.0
177.05432	2.1
180.08681	0.9
181.08537	1.4
181.12213	1.1
184.07283	1.0
191.10646	9.8
195.13666	0.5
205.19518	0.9
209.11697	100.0
210.12048	1.2
223.13263	54.6
223.20436	2.2
224.13620	0.5
227.12733	4.8
227.57695	0.4
229.97591	0.4
241.14313	16.4
250.14348	4.0
279.11331	0.7
324.12881	1.0
325.11267	0.8
375.09137	0.7
550.22095	0.8
582.24585	1.6
582.38690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01866	1.7
55.05495	9.4
57.03418	2.9
57.07054	5.4
65.03925	2.4
67.05505	18.0
69.03423	7.5
69.07057	13.3
71.04986	3.6
79.05479	19.5
79.11874	1.6
81.03384	2.4
81.07050	29.1
81.86075	1.7
83.04964	6.1
83.08607	8.6
85.02869	2.0
85.06525	4.0
91.05479	22.2
93.07033	33.7
95.04958	15.0
95.08598	26.8
97.06521	6.2
97.10143	2.4
98.20621	2.2
104.62025	1.6
105.07021	39.9
107.04958	2.3
107.07899	2.1
107.08584	29.0
109.06492	8.1
109.10149	15.3
111.08070	2.1
111.11732	1.5
113.47614	1.6
115.05441	2.4
117.06998	9.3
119.08572	45.5
121.06483	5.8
121.10133	47.2
123.08070	14.3
123.11673	7.5
125.09614	2.9
128.06229	4.4
129.06967	10.8
130.07797	3.4
131.08549	24.7
133.06453	3.8
133.10109	49.4
135.07986	9.5
135.11682	14.3
137.09601	7.2
137.62563	1.5
139.11172	2.8
141.06929	2.9
142.07773	11.5
143.08560	18.9
144.09341	3.9
145.10106	36.8
147.08044	14.3
147.11664	11.9
149.09598	16.4
151.07512	12.3
151.11119	2.1
153.06998	2.7
154.07796	1.8
155.01089	1.8
155.08551	9.6
156.09308	8.7
157.10097	28.5
158.10928	6.1
159.07994	7.4
159.11662	19.0
161.09625	8.0
161.13251	4.8
163.11205	3.9
165.06911	2.3
165.09105	18.1
167.08618	4.2
167.10651	26.2
168.09306	4.9
169.10129	13.0
170.10936	4.2
171.11646	17.9
173.09628	4.9
173.13257	19.5
175.11212	2.6
175.14833	6.9
177.12776	2.0
179.08559	5.4
179.10712	1.7
180.09332	3.1
181.10069	9.4
181.12248	6.5
182.10957	5.3
183.11688	11.8
185.09593	3.1
185.13237	8.4
187.11226	4.3
187.14769	9.8
189.12762	5.8
191.14262	3.8
193.10078	7.4
194.10954	4.5
195.11662	12.1
195.13615	1.9
196.12537	3.3
197.13309	11.1
199.11206	2.1
199.14813	8.7
201.12746	3.3
201.16383	5.6
203.14204	7.8
205.10104	2.7
206.10849	2.6
207.11714	10.0
207.13785	4.7
208.12480	2.6
209.09779	2.1
209.13278	10.0
209.15138	2.6
211.11250	3.2
211.14804	7.0
213.12724	2.5
213.16341	4.5
215.14363	5.4
217.10138	3.9
217.15674	1.9
218.10712	1.9
219.11705	2.6
220.12444	3.5
221.13278	8.8
221.15395	32.9
223.14732	8.2
225.12729	2.9
225.16402	3.7
227.14594	2.0
229.92726	1.7
230.10841	2.1
231.11661	3.4
231.76561	1.6
233.13208	4.7
233.15399	13.5
235.14865	6.9
237.12729	1.9
237.16356	5.5
239.14340	2.3
239.17984	2.5
241.15968	1.6
241.19417	2.8
245.13167	3.2
246.14151	3.9
247.14787	4.1
247.17050	2.9
248.15561	3.0
249.16483	4.7
251.14326	1.6
251.17967	3.6
257.13333	1.8
259.14804	3.5
260.15668	3.1
261.16455	2.3
263.18005	3.8
265.19540	3.0
269.13153	3.1
271.14551	1.8
273.16327	3.5
275.17966	4.3
277.19479	2.7
281.19174	2.2
284.15540	2.0
289.19537	3.0
291.17557	2.5
297.16150	2.1
299.17871	2.3
303.04755	1.9
305.22491	2.0
307.20566	2.4
307.24118	1.7
315.21228	1.7
321.16220	1.9
323.96457	2.1
330.19998	1.6
347.23618	1.9
359.23502	3.9
373.25235	6.2
393.24222	3.1
407.29489	3.7
413.28687	2.0
425.28546	2.0
485.34219	2.1
525.33624	1.9
544.40808	1.9
545.37634	3.6
563.38861	18.2
581.39880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05503	11.1
57.07065	4.5
59.04984	2.8
65.03939	2.1
67.05499	22.0
69.03431	5.0
69.07059	11.6
69.61689	2.8
69.62093	12.9
71.04967	2.1
74.60403	1.5
77.03915	1.6
79.05487	14.9
81.07047	21.8
83.04973	3.9
83.08617	7.6
85.06537	4.0
91.05465	25.3
93.07027	32.7
95.04952	8.1
95.08604	21.2
95.96848	1.5
97.06524	7.1
97.10159	1.9
103.05470	3.1
105.07020	38.4
107.04930	2.0
107.08584	25.9
109.06503	6.6
109.10144	13.0
111.08072	2.4
115.05463	4.4
116.06236	1.6
117.06995	9.5
119.08566	34.4
121.06509	7.4
121.10133	39.4
123.08062	15.1
123.11694	5.9
125.09607	3.2
128.06218	2.4
129.06993	8.9
130.07785	1.9
131.08549	18.2
133.06509	2.6
133.10109	37.2
135.08066	6.2
135.11676	11.9
137.09604	6.2
139.11208	3.9
141.05809	1.6
141.06981	3.3
142.07814	10.0
142.08701	1.7
143.08551	18.8
144.09308	2.5
145.06474	3.0
145.10104	30.1
147.08023	11.8
147.11633	9.5
149.09586	16.4
149.13277	2.6
151.07526	10.9
151.11282	2.9
153.07074	2.1
155.08548	8.6
156.09351	7.4
157.10101	26.7
158.10939	3.5
159.08058	3.3
159.11659	15.3
161.09639	4.8
161.13255	4.8
163.11238	4.9
165.06993	3.5
165.09079	16.3
166.07799	2.0
167.08566	5.0
167.10652	32.7
168.09294	3.3
169.10080	13.5
170.10925	4.2
171.08211	2.5
171.11710	14.3
172.12585	1.7
173.09642	5.9
173.13222	17.3
175.11208	3.8
175.14836	7.5
178.07947	1.6
179.08565	6.2
179.14299	2.9
180.09358	2.9
181.10056	8.3
181.12236	6.7
182.10960	6.6
183.11644	12.8
185.09515	3.4
185.13228	10.2
187.11189	4.2
187.14821	9.4
189.12820	5.8
191.14319	2.8
192.09456	2.2
193.10175	6.5
193.11966	1.6
194.10921	3.4
195.11754	8.9
196.12457	4.3
197.13254	10.2
199.11119	2.6
199.14851	5.1
201.16446	2.7
203.14359	7.1
206.10863	3.0
207.11720	8.0
207.13780	4.5
208.12486	4.8
209.13277	12.7
210.14035	2.1
211.11182	3.6
211.14874	6.1
213.12727	2.7
213.16438	3.4
215.14291	5.8
219.11658	3.1
221.13231	8.1
221.15408	39.4
223.11253	2.7
223.14838	3.3
225.12816	3.6
225.16437	3.1
231.11717	3.1
233.13266	5.6
233.15437	13.9
235.14795	5.0
237.12802	2.4
237.16444	4.9
239.14246	2.0
239.17992	3.0
241.19496	2.4
245.13211	3.0
247.14912	4.8
249.12779	2.2
249.16469	3.4
251.59744	2.0
259.14761	3.2
260.15619	3.1
261.16428	2.3
263.17981	2.1
265.15836	3.4
265.19611	1.9
269.19067	2.0
273.16330	2.5
275.17960	2.5
283.14737	2.2
285.16324	2.7
295.20538	2.1
303.05029	2.8
311.20068	2.0
312.20984	8.3
317.22696	2.3
331.24435	2.1
347.23593	2.6
355.24133	2.2
368.32953	1.8
373.25311	6.2
393.24197	2.0
545.37750	3.5
553.40320	2.9
563.38885	19.5
581.39893	100.0
582.40570	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	581.1493
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01865	3.1
55.05503	1.7
57.03425	9.3
59.04991	1.0
61.02918	5.7
64.35061	0.3
65.03920	0.3
67.05492	0.4
68.99783	0.6
69.03419	13.4
69.59808	0.6
69.60217	2.3
71.01346	3.0
71.04981	16.6
73.02904	54.3
73.22622	0.4
75.04463	1.8
79.05462	0.4
81.03397	1.7
82.47818	0.4
83.04966	14.9
85.02891	36.7
87.04461	2.6
95.01349	0.4
95.04954	0.9
97.02875	12.1
98.21362	0.8
99.04430	1.1
101.02334	0.4
101.06021	0.6
103.03931	1.0
107.04955	0.5
109.02879	0.8
109.51951	0.3
111.00766	1.2
111.04421	10.3
113.05984	0.4
115.03910	14.9
121.02881	0.7
123.04405	0.8
127.03894	1.2
129.05458	13.3
130.08194	0.4
133.03923	0.5
133.04948	9.3
135.04388	0.5
137.02319	6.6
137.05975	0.4
139.03880	0.9
140.15894	0.3
140.89345	0.4
143.03380	0.8
147.06503	9.2
149.02342	0.7
151.03848	0.8
153.01796	2.8
157.04878	0.5
158.39410	0.3
161.02335	0.5
163.03883	0.8
165.01846	1.3
165.05444	0.5
166.02568	0.4
169.04893	1.3
171.06519	0.9
173.04347	0.4
173.05934	0.7
183.02911	1.1
183.06606	0.4
195.02794	0.5
195.06595	0.6
199.05937	0.4
201.05463	1.0
201.07455	0.5
203.03290	0.6
213.07591	0.4
215.03180	0.5
225.07512	4.6
229.04919	3.1
243.08670	1.7
247.05879	0.5
257.04401	2.1
261.09741	1.7
274.04681	0.7
285.03897	1.3
299.05405	1.4
302.04129	1.2
303.04941	100.0
304.05334	2.1
313.06885	0.5
315.04932	8.7
316.05701	1.8
327.05005	3.3
329.06500	0.5
341.06573	2.3
345.05988	24.6
346.06223	0.5
353.06506	0.8
355.04538	0.5
357.06125	0.6
367.08051	1.6
369.06027	5.5
395.07617	4.0
413.08615	10.5
431.09604	5.9
449.10724	18.2
450.10922	0.5
477.09943	0.6
574.69275	0.5
581.14868	1.6
597.34100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63446	1.2
53.03923	2.2
55.01854	2.0
55.05504	18.3
57.03430	9.0
57.07065	4.5
61.56708	0.8
65.03924	1.7
67.05492	45.5
68.05833	2.3
69.03416	1.3
69.07059	22.6
71.04972	4.3
71.08608	1.8
71.81408	1.6
76.76919	0.9
79.05479	21.7
80.07202	0.9
81.03407	3.2
81.07043	48.4
81.69228	0.9
82.07382	2.2
83.04961	3.6
83.08609	14.2
85.06531	2.0
91.05466	14.8
92.05796	1.3
93.07028	34.1
94.07343	1.4
95.04986	5.3
95.08589	52.5
96.08908	2.4
97.02869	1.7
97.06500	4.9
97.10159	6.7
99.04432	1.4
105.07005	10.4
106.07340	1.4
107.04931	4.0
107.08578	19.9
108.08891	1.1
109.06498	2.2
109.10123	11.7
111.08036	1.8
117.07021	5.6
119.08569	11.6
120.08902	1.6
121.06477	2.8
121.10123	13.0
123.08079	1.4
123.11693	5.1
125.05997	2.1
125.09624	2.0
131.08559	4.3
133.10124	5.6
135.08055	1.9
135.11673	26.7
137.09615	1.1
137.13248	2.3
138.33908	0.9
139.07520	1.2
143.53860	1.1
145.10094	14.8
147.11627	6.2
149.13200	1.5
157.10072	1.6
159.11708	1.3
161.13235	2.1
163.11156	32.0
163.14778	1.5
175.11122	1.0
175.14760	1.4
181.12225	4.4
193.12296	1.2
227.12741	43.9
228.13115	1.7
263.23602	2.3
267.15933	2.1
283.15372	40.1
284.15674	1.3
285.16843	4.9
335.25787	6.7
337.27319	100.0
338.27737	4.6
438.34555	1.6
456.35175	2.0
459.80530	1.0
474.36145	1.3
530.39136	11.1
545.38318	63.2
546.38257	2.9
548.40283	8.6
562.42474	2.0
580.39453	3.0
581.40289	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	580.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86173	1.2
53.03944	2.0
55.01868	2.4
55.05504	19.4
57.03431	10.1
57.07056	3.9
63.42241	1.3
65.03923	1.9
67.05496	49.8
69.07060	23.7
69.51434	15.8
71.04984	3.5
71.08627	2.0
73.02924	1.5
79.05488	30.0
81.03410	4.9
81.07047	55.8
81.10960	1.4
83.04958	3.3
83.08602	17.5
85.06538	2.3
85.50602	1.4
91.05470	19.0
93.05114	1.4
93.07034	42.9
94.07384	2.4
95.04951	13.2
95.07990	3.3
95.08593	54.2
96.05312	1.6
96.08920	2.1
97.02869	3.3
97.06516	5.8
97.10166	6.6
98.21451	2.7
99.04433	3.7
99.08062	1.7
105.07026	13.0
107.04924	4.5
107.08584	28.4
108.49235	1.4
109.06525	4.1
109.10139	14.3
111.08054	3.0
117.07032	7.4
119.08569	15.4
121.06484	5.6
121.10122	16.7
123.08023	2.1
123.11699	4.1
124.12035	1.6
125.05939	2.0
131.08571	3.3
131.64120	1.4
133.10132	9.7
135.11678	42.7
145.09108	2.4
145.10121	26.7
147.11646	4.3
149.13286	2.9
157.10130	1.5
161.13243	1.6
163.11162	46.1
180.39999	1.9
181.12238	6.5
183.11665	1.9
207.97743	1.6
220.33009	1.3
227.12764	65.1
228.13040	2.4
237.11211	3.5
245.22662	1.6
263.23978	1.6
271.28693	1.4
283.15378	76.3
285.16946	8.3
335.25769	13.5
337.27322	100.0
338.27713	4.2
404.53857	1.6
456.35431	2.7
530.39282	9.7
545.38330	74.9
546.38629	4.8
548.40070	5.6
559.50189	1.7
562.41406	1.9
580.41321	1.4
581.40326	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	580.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.8
55.01865	3.1
55.05504	20.5
57.03440	16.1
59.81109	2.5
59.95491	2.8
67.05493	73.4
69.03418	5.1
69.07051	21.4
71.04991	4.9
71.08605	4.2
71.80368	4.3
79.05483	53.6
81.03402	51.1
81.07043	73.4
83.04971	12.2
83.08609	22.3
84.83807	2.6
85.02892	18.9
85.06507	3.1
91.05465	41.9
93.07029	57.1
95.04955	23.6
95.08587	42.7
95.69798	3.0
97.06499	6.9
97.10141	4.4
99.08035	3.1
100.78392	2.6
105.07011	35.6
107.04941	5.4
107.08571	24.9
109.06496	7.8
109.10149	13.7
111.08065	10.0
114.09156	4.0
117.06999	5.2
119.08562	28.6
120.01529	2.6
121.10107	21.7
123.11681	7.1
129.06975	8.6
131.08563	15.8
133.10101	20.5
135.11667	11.1
141.72624	2.8
145.10104	12.4
146.93095	2.7
147.07979	3.0
147.11646	18.3
149.09558	6.7
149.13269	6.6
157.10086	7.3
159.11717	4.9
160.09668	3.3
161.13222	6.0
163.11166	3.6
173.13103	4.3
175.11169	11.4
179.14253	8.9
193.12193	34.0
211.13243	46.2
222.37189	3.0
233.92821	2.9
261.22137	8.6
267.15768	8.9
269.17520	14.9
277.21695	7.0
279.25366	2.7
285.16882	36.5
335.25778	100.0
336.26120	3.6
341.30679	3.7
351.25311	3.6
527.37103	10.2
545.38342	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58811	1.4
55.01851	4.5
55.05502	14.3
55.09827	1.3
55.18962	1.3
57.03429	10.9
67.05495	25.6
69.03413	4.4
69.07073	7.5
71.04980	5.9
71.79909	2.2
73.02890	2.2
79.05476	22.3
81.03404	62.8
81.07046	24.1
83.04972	8.3
83.08603	16.6
85.02856	3.0
86.09657	1.4
91.05460	19.0
93.07019	21.4
95.04945	23.6
95.08588	12.9
97.02873	2.4
97.06509	4.3
97.10152	14.0
105.07007	14.0
107.04926	20.1
107.08575	15.0
109.06496	17.5
109.10140	13.7
111.08067	5.1
115.05473	2.2
117.06995	5.8
119.04955	1.3
119.08548	13.1
121.06490	12.4
121.10128	9.9
123.04391	1.5
123.08054	3.7
123.11633	2.2
125.09587	11.1
125.50807	1.4
129.06989	8.2
131.04874	2.4
131.08543	14.3
133.06479	3.2
133.10107	5.6
135.04376	1.6
135.08032	7.2
135.11658	2.8
137.09569	2.7
139.11142	1.9
141.06941	2.7
142.07724	2.4
143.08530	3.1
145.06430	6.5
145.10069	6.2
147.04425	1.4
147.08076	6.4
147.11612	7.0
149.09599	5.8
153.09093	3.8
153.12791	1.2
155.08498	1.8
157.06447	2.4
157.10065	7.4
159.08081	1.7
159.11693	2.3
161.09544	2.7
163.11172	4.2
165.12785	2.2
167.08612	1.3
169.10143	1.6
171.08020	2.1
171.11615	2.1
173.09552	1.8
173.11739	3.0
173.13196	2.5
175.11168	5.5
175.77861	1.4
177.12801	2.4
183.11693	1.3
189.11212	5.4
191.14276	2.2
193.12219	14.1
205.12163	1.7
211.13210	2.4
215.14166	1.6
217.12201	1.5
219.13774	13.2
227.12645	3.0
229.14268	8.3
231.13882	1.5
233.15352	4.1
249.14845	2.1
259.15289	6.0
267.15881	40.5
273.14801	6.5
275.16183	1.8
293.17380	7.0
303.04990	2.0
339.23102	2.1
349.21625	5.9
357.24030	3.3
367.22595	18.6
367.27136	2.0
383.24216	8.9
385.23700	23.8
403.24722	12.6
441.26331	8.5
451.26450	2.4
459.27362	100.0
460.27737	2.2
477.28400	86.8
478.28516	1.8
491.30051	8.6
495.29315	5.5
509.30865	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	579.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05497	1.0
55.73840	0.4
57.03413	0.5
65.03924	0.8
67.05485	0.7
69.03409	1.7
69.07042	1.0
70.06558	0.6
71.04968	0.7
71.79963	0.7
72.08146	0.5
77.03926	0.7
79.05469	1.3
81.03416	2.6
81.07041	2.4
83.04950	1.1
84.08138	0.4
85.02896	2.1
85.06556	0.5
86.09703	0.5
89.03887	1.6
91.05469	17.3
93.07023	1.4
95.04920	1.3
95.08595	2.4
96.66135	0.4
97.02864	1.0
97.06507	0.5
99.04411	0.9
103.05448	0.8
105.03372	0.6
105.07053	2.3
107.04921	0.7
107.08569	2.4
109.02861	1.7
109.06501	0.5
109.10148	0.9
114.09147	0.7
115.05421	0.4
117.03369	1.3
118.04175	0.6
119.04928	24.9
119.08557	5.5
120.05283	0.4
120.59683	0.5
121.06488	0.9
121.10155	0.7
123.11703	0.8
127.03893	1.0
129.03328	0.5
133.02829	0.5
133.10114	5.9
135.04355	1.0
135.11678	1.8
137.05951	1.0
137.09579	1.6
139.03897	0.4
145.02826	5.1
145.06398	0.5
147.04395	24.5
149.02322	1.0
149.05978	0.4
151.03883	0.5
151.07553	0.6
157.03893	1.9
163.03937	2.2
163.12636	0.4
164.04648	0.8
167.07045	2.4
175.03886	42.7
175.14803	9.6
176.04280	0.7
177.03932	0.7
177.05453	9.7
179.06998	2.3
181.04936	0.8
186.05370	0.4
191.06975	0.5
192.04102	0.6
193.15916	2.1
207.06502	100.0
208.06914	0.9
213.09116	0.6
225.07590	1.4
245.21526	0.4
339.10687	0.5
343.04428	1.3
351.10748	3.4
369.11758	8.7
406.87781	0.4
447.09244	0.7
547.19489	0.5
579.21869	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	580.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86442	0.3
55.05501	0.4
56.05014	0.6
56.60701	0.2
58.06591	31.8
61.02907	0.3
67.05493	0.5
68.05022	2.5
68.73146	0.3
69.03413	1.2
69.05802	4.9
69.07059	0.4
70.06195	0.5
70.06579	6.4
71.04975	0.6
71.78918	0.5
72.08161	1.5
75.61378	0.3
79.05473	0.7
81.03397	1.1
81.07003	0.4
83.04976	0.3
84.04493	0.6
84.59733	0.3
85.02895	1.3
86.09668	0.8
88.03930	0.3
91.05450	2.4
93.07025	1.0
95.04945	0.6
95.08597	0.4
97.02879	1.6
100.07617	1.2
103.05453	2.3
105.07007	1.1
106.06557	0.3
107.04970	1.7
107.08585	0.3
109.02860	0.9
109.10155	0.3
114.05506	0.3
114.09148	2.0
115.05418	0.7
117.06989	0.4
118.06519	0.7
119.04893	0.6
119.08527	0.6
120.08087	96.7
121.02837	0.6
121.06488	0.5
121.08423	0.7
123.04430	0.7
124.03932	0.8
127.03866	1.5
129.07016	0.5
130.06517	1.9
130.08589	0.7
131.04926	0.4
131.08502	0.4
132.08089	1.2
133.06438	0.8
133.10179	0.3
134.05995	14.3
135.06747	0.9
136.03923	0.4
136.07556	1.3
137.05927	0.8
138.05481	0.5
140.07065	0.3
144.08076	0.5
145.02811	0.7
145.04933	0.4
145.06458	0.7
146.05978	0.7
147.04393	1.1
149.05922	0.4
151.03886	0.8
152.07095	0.4
156.08046	0.5
157.06514	0.6
157.13336	3.8
158.05988	0.3
159.08002	0.6
159.09184	0.6
160.07494	0.8
160.09641	1.0
161.06004	1.4
163.03876	0.7
163.08662	0.9
165.09058	0.3
167.07025	2.5
168.07397	0.7
170.05975	2.3
170.09557	0.4
171.10417	2.9
172.07610	0.5
172.11214	0.4
173.06006	0.6
174.09123	21.5
175.14804	0.7
177.05452	1.7
178.04984	0.4
178.21257	0.3
179.05363	0.5
181.04941	0.6
183.06689	0.5
184.07545	1.2
185.08376	0.3
185.12816	2.7
186.09105	4.8
187.07506	0.6
188.07066	0.5
193.08652	0.7
198.09268	0.3
200.04547	0.3
201.05296	0.4
203.11775	16.0
207.04793	0.4
207.06534	0.6
212.06970	0.6
214.08537	0.5
215.07060	0.3
221.12823	0.5
230.08113	0.5
233.11606	0.6
236.10886	0.4
239.11852	0.4
242.10576	0.3
250.08739	0.4
253.13380	0.4
281.12817	12.8
282.13535	0.8
287.05466	2.7
288.13815	0.4
305.16287	0.8
313.11887	1.0
321.16028	1.0
332.11243	1.6
333.15341	0.3
350.18604	13.0
362.52698	0.3
368.19748	1.5
369.12939	0.4
373.13882	0.8
374.12402	1.1
378.18207	1.2
396.19141	100.0
397.19400	1.9
401.16040	1.6
418.15808	0.4
418.64963	0.3
436.11243	0.4
495.26050	0.8
502.17139	0.4
549.18170	0.3
580.21893	0.6
580.30707	0.4
581.20618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01836	0.9
57.03417	0.6
61.02896	0.6
65.03912	1.1
67.05486	0.7
69.03416	2.1
70.06564	0.7
71.04964	0.5
71.78940	0.3
72.08133	0.3
73.02906	0.4
77.03866	0.3
78.04680	1.7
78.87624	0.2
79.05457	1.2
81.03399	1.7
81.07037	0.5
82.82854	0.3
83.04951	0.4
84.04485	0.2
85.02887	3.3
86.09656	0.6
91.05444	1.5
93.03369	0.4
93.07018	0.3
95.04927	0.9
96.05735	0.4
97.02885	2.1
97.06501	0.7
99.04462	0.4
103.05440	1.0
105.03365	0.4
105.06995	0.5
106.04137	0.8
107.04952	1.7
109.02850	1.5
110.03642	0.7
111.04423	0.5
114.09145	0.3
115.05428	2.9
117.07001	6.0
118.37975	0.3
119.04910	0.4
119.08582	0.3
121.02860	1.6
121.06459	0.5
123.04411	22.0
123.07997	0.3
123.34850	0.3
124.05216	2.0
125.05920	0.5
127.03873	0.9
127.05408	0.8
130.04131	0.4
130.08612	0.4
131.04895	0.7
133.06441	0.5
135.04376	0.7
137.05969	1.4
139.03816	0.6
142.02507	0.5
142.05093	0.3
143.04837	0.5
144.05721	0.6
145.06467	9.2
147.04387	1.4
147.07996	0.4
148.04733	0.4
149.05893	0.4
151.03880	1.6
151.11157	0.4
152.04663	1.6
153.05446	0.4
155.06003	2.2
157.06526	0.3
161.05981	0.6
163.03903	1.2
163.07568	0.3
165.05476	2.4
167.07011	100.0
168.07335	1.1
170.06021	0.5
171.06444	1.1
173.05962	21.5
175.03897	0.5
175.07518	0.9
176.87202	0.3
177.05461	1.0
179.06898	0.4
181.04929	24.1
182.05367	0.4
187.03851	0.3
189.05432	0.8
190.06136	0.5
193.04950	0.5
201.05444	1.2
203.07063	0.5
205.04912	1.5
205.08563	3.9
207.06514	0.5
217.04926	1.2
219.06445	0.4
225.10191	0.3
227.06880	0.4
229.04959	0.6
231.06566	0.4
233.08040	5.0
233.10258	0.5
235.09622	4.0
241.04988	0.4
247.06027	1.1
255.06502	0.4
257.04523	0.4
259.06030	1.3
261.03693	0.3
267.06561	0.3
271.05948	1.7
273.07336	0.3
283.05951	0.9
285.07434	0.4
285.13553	0.7
287.05408	0.4
297.07489	0.4
301.07053	0.9
309.07629	0.4
313.07263	0.4
325.07114	0.5
327.12311	0.3
351.08731	0.4
369.09653	0.6
381.09604	0.7
387.14319	13.8
388.15121	0.4
393.09567	0.4
405.09756	0.3
408.25803	0.3
411.10599	0.8
417.15588	9.9
423.10565	1.6
429.11816	0.4
435.10837	1.3
447.12936	2.9
459.11984	0.3
465.11694	1.6
477.11880	0.4
483.12921	1.0
495.12708	0.9
501.13788	1.4
513.13599	1.5
525.13666	0.6
543.14520	0.7
561.16260	0.6
579.20636	61.6
580.21283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1485
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03941	1.0
55.01865	3.4
57.03431	1.0
61.46217	0.8
65.03954	1.4
67.01829	1.1
67.05496	1.1
68.99770	7.3
70.06563	1.7
70.29803	1.0
71.78748	1.8
72.08131	1.2
76.33281	0.8
79.05486	1.8
81.03407	4.4
83.04965	0.9
85.02903	4.7
90.50346	1.0
91.05474	1.5
93.03406	3.6
93.07008	0.9
95.04961	3.5
97.02877	3.3
99.04436	1.7
103.03901	1.2
103.05461	1.2
105.03355	2.0
105.07028	1.0
107.04935	9.3
109.02849	6.3
111.00800	3.3
111.04434	5.2
114.09178	1.1
115.05464	1.4
119.04923	5.3
121.02869	7.0
121.06501	2.5
123.03501	1.8
123.04413	61.3
127.03895	100.0
131.04929	3.6
133.06450	1.7
135.04395	37.5
137.02345	6.3
137.05916	2.3
139.03874	69.7
141.06990	1.5
145.02820	1.2
145.06456	2.4
147.04388	16.8
149.02312	6.2
149.05978	3.2
151.03879	15.1
153.01822	1.4
155.04916	1.1
157.06454	1.5
159.04369	6.3
161.02330	1.6
161.05963	6.3
163.03886	43.6
165.01823	2.7
165.05450	8.0
165.06709	1.6
167.03343	7.6
169.05029	0.8
169.06459	2.2
171.04396	1.5
173.05956	5.3
175.00235	1.3
175.03865	7.2
175.07631	1.1
177.01831	3.2
177.05435	7.7
179.03412	4.8
179.07063	1.1
181.04982	1.7
181.06438	0.9
185.05971	2.5
187.03860	11.2
187.07523	1.5
189.01813	5.6
189.05399	5.2
191.03363	20.2
191.26085	1.0
193.05009	5.4
195.02872	7.7
197.05942	3.4
199.03955	0.9
199.07423	0.9
201.05423	13.4
202.06030	1.1
203.03380	17.9
203.05286	1.2
203.07034	3.5
205.01387	1.2
205.04932	5.9
207.02846	7.9
209.04359	1.1
213.05504	3.2
215.03377	4.9
215.06985	3.7
217.01291	1.0
217.05029	4.3
219.02870	22.1
221.04434	2.2
223.02325	2.9
225.03856	3.1
225.05775	1.7
227.03326	2.2
227.06969	0.9
229.04938	16.0
231.02864	12.4
231.06326	4.5
233.04445	13.3
241.04953	4.4
243.02837	9.0
243.06456	5.7
245.04448	13.6
247.05978	29.3
249.03889	7.5
251.05396	2.0
253.04997	2.1
255.02917	1.9
255.06575	3.0
257.04413	22.2
257.06927	1.7
258.05081	1.5
259.02185	1.1
259.06030	13.9
261.03931	28.4
269.04398	5.1
271.05963	20.7
273.03915	8.7
273.07574	2.4
275.02463	1.3
275.05447	23.8
281.04523	1.6
283.05988	9.4
285.03891	14.9
285.07089	1.1
287.05481	33.5
287.08698	1.7
289.07025	18.6
291.04999	7.6
291.08618	16.2
297.03943	4.5
297.07532	5.1
299.05460	9.0
301.07004	25.8
301.10403	1.3
303.04919	7.0
303.08600	5.3
309.03918	2.3
309.07495	1.8
311.05389	1.6
315.04971	3.2
321.06192	3.1
327.04962	14.8
327.08618	3.3
339.08475	9.2
345.05942	4.3
351.08566	4.7
357.06049	2.7
363.06995	12.3
369.06024	1.4
375.07083	1.6
381.09729	7.6
387.07224	2.0
391.07941	1.4
393.09091	5.9
405.08267	10.9
409.03580	1.7
409.09100	36.0
411.10483	4.7
417.09946	2.5
421.09283	1.8
423.09949	6.9
427.10141	12.1
429.11813	9.9
435.10822	3.1
439.10193	2.4
441.10669	11.2
447.10764	8.1
453.11935	1.1
459.12878	10.0
465.11850	3.0
477.11963	2.8
483.12680	7.4
489.11639	1.6
495.12781	5.7
507.12543	3.2
525.13745	5.4
543.14886	5.4
579.20374	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	578.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01490	0.3
56.51617	0.3
56.96532	0.4
57.20758	0.3
68.35405	0.3
69.57074	0.9
69.57481	2.3
70.07486	0.3
70.56804	0.3
94.92462	0.3
94.93000	5.5
114.09119	0.9
138.05505	0.8
160.09662	0.7
185.99857	0.3
188.05893	0.5
190.07465	0.4
190.97066	0.4
216.05310	1.5
219.47963	0.4
234.06445	0.6
234.95985	0.4
236.00821	100.0
236.95679	0.3
237.01129	1.3
254.00964	2.0
258.06583	0.3
282.77866	0.3
294.97015	0.8
295.97202	1.6
296.01993	2.4
296.96701	0.6
308.02023	0.4
308.09494	0.4
313.98248	0.7
326.97552	0.4
419.06000	0.4
542.37738	0.4
578.14795	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	578.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
54.36179	1.0
55.01862	2.9
55.05507	12.4
57.03429	8.8
57.07066	1.8
65.03919	1.9
67.05494	40.2
68.05834	1.3
69.03418	1.7
69.07057	13.0
71.04977	2.5
73.02897	1.4
79.05482	32.1
79.50589	0.9
80.05793	0.8
81.03411	3.0
81.07042	39.5
82.07371	1.3
83.04958	3.2
83.08605	7.9
85.06506	1.7
91.05463	13.0
93.07030	42.7
94.07355	1.6
94.67130	0.8
95.04948	7.0
95.08591	45.9
96.08923	1.4
97.02880	2.3
97.06521	3.2
97.10178	2.4
99.04449	2.1
105.07025	11.4
107.04951	4.7
107.08574	27.3
108.08921	1.7
109.06541	1.7
109.10139	11.1
110.10554	0.9
111.08089	1.3
116.06142	1.1
117.07006	8.2
119.08572	12.8
121.06501	2.8
121.10118	16.4
122.10464	1.0
123.08067	1.4
123.11707	3.3
125.05965	2.0
125.09588	1.1
129.06941	1.4
130.07816	1.3
131.08542	5.7
133.10152	5.2
135.08064	1.0
135.11673	32.3
136.11958	1.5
139.07539	2.0
143.08492	1.0
145.10118	18.4
146.10402	1.1
147.11678	3.9
149.13235	2.2
155.08522	1.1
159.11653	3.0
161.13206	1.8
163.11168	35.5
163.14789	1.3
173.13240	2.4
174.13617	1.1
181.12209	5.1
217.00029	0.9
227.12747	49.7
227.15062	2.4
257.51743	1.2
259.99725	1.3
261.22089	4.3
267.15979	1.1
283.15375	38.3
317.24734	2.3
335.25757	100.0
336.26068	3.3
343.93109	1.2
436.33096	1.2
454.33936	1.2
528.37799	6.1
543.36731	54.8
544.36768	2.1
546.38867	4.7
560.40485	1.3
579.38647	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
53.53417	0.8
55.05503	7.1
57.03432	16.4
57.07065	29.4
67.05495	16.2
68.05835	0.9
69.03438	1.4
69.07056	7.9
71.04993	1.1
71.08619	20.1
71.49995	1.4
71.50311	1.5
79.05483	9.1
81.03403	64.5
81.06592	1.5
81.07044	18.3
82.77205	0.9
83.04974	3.5
83.08607	18.6
85.10169	12.9
89.06010	1.5
91.05457	10.0
93.07036	6.6
95.04952	18.7
95.08592	18.7
97.06516	2.3
97.10152	4.8
103.07544	1.2
105.07014	8.8
107.04935	4.5
107.08604	2.7
109.06514	2.0
109.10143	8.3
111.04400	1.5
111.08079	4.9
111.11671	1.1
115.05441	1.2
119.08561	8.6
119.43407	1.1
121.06492	1.4
121.10119	4.7
123.08080	1.3
123.11703	2.1
129.06958	6.7
131.08589	4.7
133.06525	0.9
133.10149	2.5
137.05994	1.5
142.07790	2.2
145.10083	1.1
147.08006	2.5
147.11639	6.2
149.09608	3.2
149.43576	0.9
152.20476	0.9
157.10101	7.3
161.15698	1.0
165.12682	1.8
165.16518	0.9
173.80627	1.2
175.11154	7.2
193.12204	20.3
249.14894	1.9
257.24768	1.7
261.94550	1.0
267.15872	100.0
268.16263	4.0
313.27310	91.4
314.27771	4.7
316.91830	0.9
505.38803	72.8
506.39154	4.5
570.59119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05300	0.9
55.05508	8.7
57.03431	13.9
57.06787	1.6
57.07069	31.1
67.05170	1.6
67.05495	16.0
69.03417	2.1
69.07060	9.2
71.04694	1.8
71.05028	1.7
71.08237	1.4
71.08624	22.1
79.05484	8.6
81.03409	60.8
81.07043	18.8
83.04967	3.2
83.08611	18.2
85.06476	1.1
85.10178	12.9
87.04469	1.1
89.06007	1.9
91.05457	10.1
93.07038	8.9
95.04957	17.0
95.08595	20.2
97.02870	1.8
97.06518	2.4
97.10161	5.4
105.07022	9.0
107.04932	4.2
107.08572	5.3
109.06509	2.1
109.10145	8.7
111.08080	4.6
111.11736	1.1
112.01640	1.1
116.15036	1.2
117.07001	1.6
119.08566	9.2
121.06502	2.2
121.10147	5.8
123.08030	2.0
123.11692	2.0
129.06995	6.7
131.08545	6.0
133.10109	4.6
135.11713	1.5
137.09628	1.2
142.07735	1.4
145.10170	1.4
147.08080	2.5
147.11656	5.1
149.09657	4.6
157.10068	6.5
175.11160	6.4
193.12216	20.8
236.58356	1.0
239.23619	1.5
249.14877	1.9
257.24481	1.2
267.15891	100.0
313.27322	89.8
314.27603	2.8
465.35703	1.8
505.38828	71.3
506.38870	1.6
576.50275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03948	7.6
55.01862	30.5
55.05504	53.7
56.05846	1.4
57.03431	18.3
57.07063	3.8
59.04996	2.7
65.03936	4.8
67.05496	87.9
69.03413	10.0
69.07059	37.3
70.89336	5.3
71.04980	9.5
77.03934	2.1
79.05481	86.3
79.97443	1.4
80.05853	1.4
81.03408	67.2
81.07046	97.8
83.04971	24.5
83.08612	40.2
83.08983	1.0
85.02896	24.1
85.06529	6.8
91.05468	92.3
92.05797	1.8
93.07031	75.9
95.04957	44.7
95.08596	47.4
97.02879	2.7
97.06515	39.4
97.10153	18.8
99.08098	3.6
103.05475	3.3
105.07021	80.7
107.04942	30.1
107.08580	52.3
109.06497	17.7
109.10139	25.6
110.10480	1.6
111.04428	4.6
111.08070	13.4
113.05993	5.4
115.05444	6.5
116.06261	2.4
117.07008	24.2
119.08566	55.8
120.08923	1.9
121.06487	10.4
121.10129	29.7
123.04395	1.7
123.08047	10.7
123.11692	10.4
125.09608	17.9
126.80181	1.5
127.07545	1.8
128.06268	3.3
129.06972	19.5
130.07724	1.8
131.08549	39.8
133.06500	6.2
133.10117	41.2
135.08020	10.0
135.11684	13.3
137.06097	1.7
137.09604	6.1
139.11166	3.1
141.06937	4.0
142.07742	5.1
143.08536	6.7
145.06509	2.8
145.10097	27.9
147.08022	6.8
147.11673	37.3
149.02359	2.1
149.09593	38.5
149.13269	5.1
151.11131	8.5
155.08549	6.3
157.10120	21.2
159.08047	3.8
159.11676	19.6
161.09628	4.5
161.13264	9.2
163.11160	17.8
165.09088	3.4
165.12732	6.1
169.10187	6.7
169.12204	2.0
171.10352	2.2
171.11592	8.3
173.09621	3.6
173.11937	1.8
173.13222	8.0
175.11168	18.2
175.14859	3.3
177.12766	6.2
179.14354	2.8
181.10115	1.9
183.11736	5.5
185.13269	5.2
187.11180	5.3
187.14777	3.4
189.11238	10.2
189.12686	2.8
189.16328	1.9
191.14291	2.0
193.04962	3.5
193.12219	51.0
195.13814	1.7
197.13271	4.8
199.14876	3.3
203.14236	1.9
207.11809	1.8
211.13246	56.2
212.13654	1.7
213.12637	1.8
219.13809	1.9
227.12747	22.8
229.14310	4.5
229.19518	3.6
233.15327	2.6
239.17940	5.4
245.13747	2.0
247.20618	4.4
249.14781	2.5
253.17819	2.2
257.18970	14.5
259.20599	2.1
265.18002	2.2
267.15887	27.6
269.17676	1.8
273.18576	3.6
275.20026	100.0
276.20190	2.8
283.15430	2.1
285.16937	45.0
291.19577	4.7
293.21011	12.5
299.19907	2.6
300.28900	1.9
313.21533	3.3
315.23148	4.2
331.22684	3.5
333.24216	2.2
349.23672	64.1
367.24719	3.3
373.09598	1.8
381.22672	4.4
421.25827	3.0
431.29285	1.7
437.25192	4.3
445.29486	2.7
449.30414	2.1
455.26718	2.0
461.28937	2.7
463.30438	4.2
467.31754	3.4
479.30075	2.1
485.32437	2.9
513.36121	2.6
523.34515	3.0
541.35162	29.9
559.36200	59.2
560.36707	3.1
577.37268	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.1
55.01846	0.1
55.05497	0.2
56.05029	0.1
58.06578	0.1
65.03928	0.1
67.05476	0.1
68.04996	0.2
69.03401	0.3
69.07049	0.2
69.79188	0.1
70.06583	1.3
71.04990	0.2
71.79534	0.2
71.79937	0.1
72.08139	3.8
72.08540	0.2
79.05450	0.3
81.03412	0.3
81.07030	0.3
83.04975	0.2
84.08151	0.1
85.02885	0.3
86.09689	0.3
91.05457	1.0
93.07038	0.3
95.04955	0.2
95.08570	0.3
97.02871	0.2
97.06496	0.2
99.04424	0.1
103.05448	0.4
104.06197	0.2
105.07017	2.2
107.04906	0.3
107.08583	0.2
109.02824	0.2
109.06524	0.2
114.09149	0.6
117.05631	0.1
117.06936	0.1
118.06522	0.2
119.04897	0.2
119.08572	0.2
120.08090	0.4
121.06528	0.1
121.10107	0.2
127.03867	0.3
130.08620	0.4
131.04865	0.3
131.07286	0.1
132.08043	0.8
132.12958	0.1
133.08850	5.8
134.05984	2.3
134.06911	0.2
134.09294	0.1
135.06761	0.4
137.05945	0.3
145.02849	0.3
147.04404	0.4
147.08009	0.1
147.11694	0.1
148.11182	100.0
149.02371	0.1
149.05980	0.2
149.09708	0.6
149.11530	2.5
163.03864	0.3
167.07036	0.2
171.14943	0.7
174.09106	1.0
175.03891	0.1
177.04094	0.1
177.05367	0.6
178.05785	0.1
186.09125	0.4
187.12285	0.2
191.08272	0.2
191.14151	0.1
199.14421	0.5
202.83409	0.2
203.11792	1.6
205.09679	0.2
207.06512	0.4
247.18018	8.1
248.18300	0.2
274.15485	1.1
275.17502	12.8
276.17807	0.4
285.12372	0.2
302.11484	0.3
302.14957	5.2
303.15381	0.3
326.28543	0.1
378.18103	0.8
415.10159	0.2
576.25378	0.3
576.32001	2.9
577.32135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25036	4.3
53.03959	5.6
55.05502	17.9
57.03421	7.8
57.07056	8.8
67.05498	57.2
69.07053	21.5
70.45170	4.0
71.80339	5.5
79.05478	53.5
81.03409	7.1
81.07045	52.7
83.05004	6.1
83.08596	9.5
91.05460	40.5
93.07031	55.1
93.07579	6.4
95.04967	15.3
95.08586	36.7
97.06530	4.5
97.10151	5.4
105.07031	24.1
107.04943	6.5
107.08598	19.8
109.06509	6.5
109.10161	14.2
117.06947	4.9
119.08553	21.1
121.10139	16.4
129.06993	6.8
131.08565	6.9
133.10088	12.5
135.11691	8.4
143.08488	9.8
145.10179	8.9
147.11691	27.7
161.13214	9.1
171.11681	11.1
173.40359	4.2
189.12720	5.7
207.13811	19.6
281.17456	51.7
284.15619	6.2
313.27249	6.5
335.25748	47.5
358.93417	4.3
386.33215	4.3
465.35886	6.1
467.49857	4.8
541.38965	100.0
576.26654	8.1
577.98792	5.0
580.15051	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	576.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.51897	0.4
55.05495	2.6
57.07052	0.8
58.06587	1.6
65.03936	0.7
67.05492	2.5
69.03417	1.9
69.07058	2.1
70.06591	1.0
71.04965	1.1
71.79304	0.5
71.79682	0.5
71.82042	0.4
73.02897	0.8
75.33478	0.4
77.03916	0.5
79.05487	3.1
79.18132	0.3
81.03404	2.0
81.07043	4.6
83.04957	0.7
83.08607	1.3
85.02893	2.0
85.06538	0.8
87.33496	0.4
89.26063	0.4
91.05470	3.3
91.27500	0.5
93.07027	5.6
95.04951	16.7
95.08577	3.0
96.36922	0.4
97.02869	4.3
97.06527	1.6
99.04427	1.8
100.85287	0.4
103.05428	0.4
105.07018	6.7
107.04924	0.9
107.08575	7.4
109.02867	1.8
109.06490	3.0
109.10130	2.1
110.33563	0.4
114.09162	2.1
115.05448	0.6
117.06992	1.6
119.05008	0.6
119.08556	4.1
121.06528	0.7
121.10127	4.9
123.08049	3.2
123.11700	2.1
127.03912	2.4
127.24873	0.4
129.06987	0.4
131.08543	6.6
132.04420	0.5
132.20612	0.4
133.10107	13.8
135.08026	6.2
135.11623	1.0
143.08560	0.8
145.10110	3.2
146.06023	0.4
147.04367	0.6
147.11671	4.1
149.09598	0.9
149.13229	4.7
150.05475	1.3
153.09106	1.3
158.10846	1.3
160.03993	0.8
163.03888	0.6
163.14798	0.8
165.12733	1.6
171.14932	0.5
173.13225	12.5
177.05479	0.6
177.39677	0.4
178.04965	100.0
179.05302	0.9
189.09427	0.5
191.14285	17.6
204.10165	1.5
206.04456	73.5
207.04808	0.6
207.99319	0.4
209.15356	0.9
233.12845	0.6
248.05522	0.6
303.04733	0.5
314.06738	0.7
328.15271	0.9
332.07587	25.4
332.19641	0.7
333.07855	0.5
350.08658	15.8
360.19019	0.8
368.09711	18.4
422.85028	0.4
558.23322	13.5
558.31830	0.8
576.24292	10.9
577.24548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.1
55.01846	0.1
55.05497	0.2
56.05029	0.1
58.06578	0.1
65.03928	0.1
67.05476	0.1
68.04996	0.2
69.03401	0.3
69.07049	0.2
69.79188	0.1
70.06583	1.3
71.04990	0.2
71.79534	0.2
71.79937	0.1
72.08139	3.8
72.08540	0.2
79.05450	0.3
81.03412	0.3
81.07030	0.3
83.04975	0.2
84.08151	0.1
85.02885	0.3
86.09689	0.3
91.05457	1.0
93.07038	0.3
95.04955	0.2
95.08570	0.3
97.02871	0.2
97.06496	0.2
99.04424	0.1
103.05448	0.4
104.06197	0.2
105.07017	2.2
107.04906	0.3
107.08583	0.2
109.02824	0.2
109.06524	0.2
114.09149	0.6
117.05631	0.1
117.06936	0.1
118.06522	0.2
119.04897	0.2
119.08572	0.2
120.08090	0.4
121.06528	0.1
121.10107	0.2
127.03867	0.3
130.08620	0.4
131.04865	0.3
131.07286	0.1
132.08043	0.8
132.12958	0.1
133.08850	5.8
134.05984	2.3
134.06911	0.2
134.09294	0.1
135.06761	0.4
137.05945	0.3
145.02849	0.3
147.04404	0.4
147.08009	0.1
147.11694	0.1
148.11182	100.0
149.02371	0.1
149.05980	0.2
149.09708	0.6
149.11530	2.5
163.03864	0.3
167.07036	0.2
171.14943	0.7
174.09106	1.0
175.03891	0.1
177.04094	0.1
177.05367	0.6
178.05785	0.1
186.09125	0.4
187.12285	0.2
191.08272	0.2
191.14151	0.1
199.14421	0.5
202.83409	0.2
203.11792	1.6
205.09679	0.2
207.06512	0.4
247.18018	8.1
248.18300	0.2
274.15485	1.1
275.17502	12.8
276.17807	0.4
285.12372	0.2
302.11484	0.3
302.14957	5.2
303.15381	0.3
326.28543	0.1
378.18103	0.8
415.10159	0.2
576.25378	0.3
576.32001	2.9
577.32135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.05502	25.1
57.03418	4.5
57.07065	66.8
58.07388	2.2
65.03924	1.7
67.05488	60.9
68.05823	5.1
69.03431	1.8
69.07056	48.3
71.04983	13.7
71.08620	49.9
71.09010	3.6
71.46410	3.6
72.05322	2.2
72.08960	2.4
79.05486	13.1
80.05803	1.5
81.07040	100.0
81.30016	1.5
82.07373	11.9
83.04979	2.2
83.08605	44.4
84.08944	3.9
85.06516	6.4
85.10168	32.2
86.10454	1.6
87.04443	7.4
91.05448	10.9
92.05798	4.1
93.07011	11.9
94.07360	3.3
95.08590	72.7
96.08919	4.9
97.06506	3.1
97.10159	28.4
98.10555	1.7
99.11678	3.0
105.07028	4.4
106.07422	1.6
107.08583	7.2
109.10139	43.7
110.03132	1.4
110.10461	1.9
111.11692	20.5
113.13255	2.2
117.06921	2.2
119.08588	3.4
121.10141	4.8
121.70871	1.6
123.11680	23.9
124.12067	3.9
125.13265	9.3
131.08537	2.5
132.08817	1.7
133.10103	10.4
134.10452	3.8
135.11664	4.2
137.12315	1.4
137.13199	8.9
139.14783	2.7
149.13251	3.7
151.11205	3.0
151.14835	5.5
159.11671	3.0
165.16354	5.2
180.77827	1.5
183.13773	2.3
187.13239	2.8
201.87062	1.6
290.42877	1.5
291.30231	2.2
301.20029	9.2
302.20355	9.8
313.27310	11.0
314.27628	12.9
349.36240	1.6
434.83221	1.9
481.38791	7.6
482.39142	76.7
483.39450	4.4
496.40387	2.5
508.40732	3.9
540.43304	40.8
541.43561	3.3
557.60059	11.9
575.49615	12.5
575.60895	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	575.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.7
52.03151	1.9
52.87981	1.7
53.03926	8.3
53.76411	1.6
55.01861	8.9
55.05502	50.9
57.03432	11.8
57.07072	2.7
57.41026	1.5
59.04976	2.9
65.03916	7.5
67.05494	100.0
69.03406	6.1
69.06723	3.1
69.07057	31.4
70.22343	8.8
71.04985	20.6
76.09202	1.8
79.05482	65.2
80.06245	1.9
81.03421	15.0
81.07043	81.9
81.31647	2.0
83.04955	15.0
83.08612	25.2
85.02888	7.0
85.06538	9.1
91.05468	65.4
93.07028	76.2
93.69766	2.0
94.07346	2.3
95.04946	26.6
95.08590	67.8
96.08896	3.0
97.02869	4.5
97.06499	10.8
97.10152	27.8
99.08072	11.1
101.05980	2.0
103.05460	2.1
105.07018	64.7
107.04926	8.1
107.07889	3.5
107.08576	49.4
109.06509	10.8
109.10143	32.8
111.08068	7.6
113.09618	2.7
115.05442	6.3
116.06253	2.6
117.06995	32.5
119.08566	46.6
120.33152	1.9
121.06468	9.9
121.10139	34.5
121.44681	1.9
123.08077	10.5
123.11658	7.1
124.99738	1.9
125.05946	2.2
125.09624	22.5
125.45726	1.8
128.06178	7.7
129.06989	28.6
130.07790	3.5
131.08551	51.9
133.06459	5.6
133.10104	32.1
135.08037	13.4
135.11658	13.5
137.09599	7.3
141.06955	10.0
142.07768	6.9
143.08539	27.1
145.06430	4.2
145.10107	38.6
147.08015	7.2
147.11667	19.8
149.09592	9.9
149.13232	4.5
151.11154	7.0
153.07028	2.3
155.08524	16.7
157.10123	28.0
159.07986	4.5
159.11681	28.7
161.09549	8.1
161.13234	9.0
163.11159	8.1
166.07776	2.1
167.08482	4.0
167.10616	2.3
169.10112	18.4
171.08064	3.0
171.10298	3.1
171.11656	18.9
173.09590	6.7
173.13235	14.6
175.11133	8.1
175.14761	3.8
177.12714	3.5
179.08565	4.0
180.09186	2.2
181.10074	7.8
183.11702	22.4
185.09541	2.3
185.13210	18.5
187.11174	6.3
187.14787	8.7
189.11185	10.4
189.12743	3.9
193.10246	2.0
193.12212	7.7
195.11681	12.3
197.13228	9.4
199.11200	3.4
199.14854	10.5
201.12788	4.8
201.16367	2.9
207.11592	4.0
209.11549	2.0
209.13295	9.8
211.13200	7.8
211.14838	5.2
213.16374	2.9
217.15796	3.8
221.13184	4.0
223.14915	3.9
225.16541	3.8
227.12711	14.2
235.14693	3.5
235.16797	2.5
245.18883	3.1
255.17522	3.5
257.19064	3.3
259.20499	4.1
267.15817	6.7
271.20480	3.8
273.18436	7.9
275.20068	6.4
279.20862	2.2
283.20465	3.3
285.16879	2.2
285.21918	9.5
287.19943	3.8
291.19400	15.2
292.20090	2.0
297.22110	3.3
299.20367	2.8
299.23505	11.1
301.21475	4.7
307.48666	2.3
313.21625	2.3
321.22101	2.9
327.23074	2.3
331.22781	4.6
336.25974	2.7
355.26324	2.8
357.24149	4.1
359.25851	3.2
365.23874	1.9
371.26175	2.5
415.29843	6.1
421.25858	9.0
423.32458	2.5
433.30920	21.5
435.27258	3.0
451.31967	14.9
469.33447	9.3
499.34146	5.8
507.34329	10.5
517.35291	21.0
525.35675	69.2
526.35852	3.6
539.36487	2.6
543.36743	74.9
544.37054	3.9
553.16772	2.3
557.38770	28.8
575.39856	50.9
576.38696	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	575.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01867	15.9
55.05502	52.5
57.03424	14.3
57.07074	5.0
57.88342	1.9
59.04987	4.3
61.82422	2.1
65.03927	5.9
67.05495	94.1
68.73524	2.0
69.03415	10.0
69.07059	40.9
69.63351	4.9
69.63760	13.3
70.06580	1.9
71.04976	19.0
79.05483	81.4
81.03407	26.0
81.07043	100.0
83.04958	19.3
83.08148	3.1
83.08608	34.0
85.02877	5.2
85.06521	8.4
91.03930	2.3
91.04907	4.0
91.05466	78.0
93.07030	85.7
95.04952	23.5
95.08598	62.9
97.02859	6.6
97.06527	16.4
97.10159	29.7
99.04420	2.8
99.08073	7.7
105.03400	2.6
105.07021	73.9
107.04943	17.9
107.08575	51.3
109.06503	15.3
109.10147	30.2
111.04417	4.4
111.08047	9.1
113.05981	3.2
115.05433	5.5
116.06216	2.2
117.07006	35.0
119.04943	2.8
119.08571	50.2
120.08887	2.3
121.06483	12.1
121.10116	30.7
123.08037	13.1
123.11696	6.8
125.05953	2.2
125.09616	23.8
128.06223	8.6
129.07001	25.7
130.07765	3.8
131.04965	3.9
131.08548	47.8
133.06453	5.6
133.10118	43.5
135.08067	13.8
135.11685	23.5
137.05914	3.5
137.09584	7.2
139.11130	2.6
141.06952	8.7
142.07703	4.0
143.07521	3.4
143.08534	27.1
145.06459	4.0
145.10110	38.7
147.08032	7.8
147.11652	24.1
149.09621	15.6
149.13223	5.7
151.07509	2.8
151.11177	7.0
153.08995	3.1
153.12752	2.8
155.08511	13.4
156.09267	2.3
157.06425	2.6
157.10107	26.6
159.08012	5.6
159.11673	24.2
161.09587	10.9
161.13220	10.1
163.11163	14.6
165.06978	3.1
165.09145	3.3
165.12775	3.9
167.08546	6.2
169.10075	17.9
171.07996	3.8
171.11673	19.9
173.09651	7.3
173.11836	3.2
173.13199	14.0
175.11174	11.8
175.14748	5.9
177.12732	4.7
179.08461	3.7
181.10095	7.6
181.12152	3.2
182.11041	3.2
183.11650	15.1
185.09608	4.2
185.13225	15.3
187.11116	3.8
187.14810	5.8
189.11176	12.1
189.12718	5.0
191.10616	3.3
193.10170	3.5
193.12227	7.8
195.11700	10.9
195.13760	3.0
197.13261	8.7
199.11179	3.2
199.14763	8.2
201.12781	4.7
203.14323	3.3
205.12071	2.3
207.11681	3.9
209.09738	3.1
209.11621	6.3
209.13297	6.7
211.13223	6.2
211.14923	3.4
213.16391	2.7
215.14322	2.8
215.17897	2.6
217.12193	2.7
217.15776	4.4
219.13779	3.0
223.14943	3.7
227.12698	24.8
227.14453	2.5
227.17963	2.7
229.14215	4.2
233.15382	4.3
239.17850	4.0
245.19128	3.3
247.16956	2.7
253.14195	3.7
255.17514	2.3
257.19003	6.4
259.20633	4.6
261.18707	2.3
263.20206	2.9
267.15845	15.7
271.17007	2.8
273.18649	16.1
275.20035	19.3
283.12115	2.1
283.15317	9.7
285.22116	5.7
287.20007	4.5
289.18033	4.2
289.21875	3.3
290.18262	2.9
291.19504	23.3
293.21146	4.4
297.21954	2.8
299.14835	3.4
299.23627	6.6
301.21594	2.2
303.23203	3.0
313.21460	7.0
329.21094	3.0
333.24393	3.2
347.22266	4.0
349.23721	7.5
359.25961	3.1
361.23584	2.3
365.23474	6.2
403.24667	4.2
415.29727	5.5
421.25626	5.6
433.31064	17.2
443.28046	3.3
445.24857	2.3
447.28235	2.8
451.32248	13.8
465.29333	3.0
469.33096	6.1
483.30609	3.9
499.33820	3.6
507.34564	7.7
517.34998	8.5
518.55908	2.3
525.28174	4.5
525.35699	59.6
526.36066	4.1
531.74011	2.3
539.33197	6.4
543.36676	55.5
544.36841	4.6
557.34100	26.9
558.34607	3.8
575.36340	41.7
575.50055	4.5
576.37701	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	574.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.1
57.03433	5.0
57.07067	31.2
59.04974	0.7
63.80307	0.6
65.03931	0.9
67.05495	43.0
69.03395	0.7
69.07050	9.2
69.46615	1.4
69.47023	6.4
71.04599	1.3
71.04980	21.2
71.08620	24.0
79.05476	10.0
79.67870	0.7
81.07043	79.6
82.07398	1.0
83.04975	2.7
83.08603	13.2
85.06529	7.0
85.10165	12.9
87.04470	3.8
91.05466	14.9
93.07024	9.1
95.04952	1.3
95.08588	22.7
97.06514	3.2
97.10163	5.8
98.21574	1.4
99.11721	1.5
103.07452	0.7
105.07023	6.5
107.08601	7.0
109.06532	1.4
109.10133	11.5
111.08037	0.9
111.11731	0.8
117.06993	1.8
121.10131	2.6
123.11688	15.2
131.02524	0.8
131.08516	2.6
133.10112	14.4
135.11685	2.1
137.13240	1.1
149.13251	3.3
151.11154	5.4
159.11615	3.5
169.12241	1.5
177.12706	1.1
183.13811	2.6
187.13269	4.5
195.13757	1.9
201.14920	0.9
210.45905	0.7
213.75121	0.7
221.70062	0.7
239.23686	1.6
257.17484	1.9
269.17447	4.9
301.20041	21.8
313.27304	27.9
333.54114	0.7
481.38828	100.0
482.39365	3.5
495.40216	4.4
507.40518	4.1
539.43011	56.0
540.43195	1.8
574.39795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.3
53.03934	8.3
55.01862	17.0
55.05500	53.1
57.03424	13.7
57.07048	3.1
59.04980	2.8
63.45835	1.2
65.03922	4.0
67.05491	74.0
69.03413	13.9
69.07055	42.1
70.89117	3.3
70.89463	1.4
71.04985	8.9
79.05479	72.0
81.03403	46.0
81.07038	79.4
83.01288	2.1
83.04964	23.6
83.08600	32.9
85.02900	15.5
85.06526	4.9
87.59240	1.3
91.05460	67.3
93.07024	62.3
95.04402	1.0
95.04946	36.1
95.08587	37.6
97.02875	14.0
97.06507	18.4
97.10148	33.4
99.04375	1.7
99.08068	2.6
103.05460	2.0
105.04451	1.6
105.07011	56.4
107.04931	23.2
107.08573	42.8
107.09309	1.6
109.06498	13.0
109.10134	19.3
111.04424	3.7
111.08064	10.4
113.05969	1.6
115.05423	4.7
117.07000	23.6
119.04937	3.0
119.08555	45.4
121.06477	10.9
121.10125	24.5
123.04391	2.7
123.08041	12.8
123.11682	7.6
125.05984	1.7
125.09608	22.4
127.07557	1.5
128.06189	5.2
129.06982	13.8
130.07744	3.4
131.04883	1.6
131.08539	27.2
133.06474	8.6
133.10103	25.1
135.08028	9.7
135.11662	13.2
137.05981	1.7
137.09576	6.5
137.13168	1.9
139.80533	1.3
141.06984	3.9
142.07750	2.2
143.08533	13.3
145.06459	4.0
145.10104	30.3
147.07999	12.3
147.11658	20.2
149.09604	17.4
149.13219	4.3
151.03867	1.6
151.11143	3.7
153.09085	2.7
155.08542	4.8
157.10098	16.1
159.07993	4.6
159.11649	12.4
161.09578	7.5
161.13254	3.4
162.10461	1.8
163.11136	14.5
165.09076	3.9
165.12738	4.3
169.10097	3.2
169.12218	2.5
171.07977	1.8
171.10223	2.9
171.11659	5.7
173.09546	4.6
173.13208	6.0
175.11162	13.9
177.12675	2.9
179.14308	1.7
181.10027	2.4
181.12206	2.4
182.11047	1.6
183.11655	3.5
185.09529	2.5
185.13234	4.7
187.11104	2.6
189.09360	2.6
189.11189	16.8
189.12692	2.5
191.10660	2.8
191.14368	1.8
193.12184	26.4
195.11749	2.2
195.13852	1.7
197.13242	2.7
201.12617	2.2
203.10638	1.7
205.12193	3.0
208.65152	1.4
209.11523	2.3
211.11241	1.6
211.13240	29.4
211.15076	2.4
213.12775	1.7
219.13809	10.4
223.13258	17.9
227.12729	20.0
227.17870	1.9
229.19565	1.7
239.17931	2.3
245.13847	1.6
245.19025	2.4
247.17064	1.5
247.20457	1.5
249.14891	3.9
255.17500	2.6
257.18970	4.2
260.54480	1.4
263.20062	1.8
267.15863	32.6
273.15616	2.7
273.18484	30.3
275.20004	26.7
279.48764	1.5
283.15338	13.9
285.16977	5.6
289.17987	3.0
291.19476	95.9
292.19730	3.0
293.20999	4.2
295.20462	2.3
297.18393	1.5
313.21622	6.4
315.19434	5.4
329.20975	2.2
331.22763	2.6
333.20389	3.0
347.21976	5.8
349.23770	10.7
365.23303	12.0
371.22113	1.9
389.23260	3.6
437.25107	1.8
445.25668	5.2
447.28983	2.6
457.24475	1.4
465.29865	3.8
471.56265	1.8
477.28168	6.6
483.30951	4.5
501.31964	2.1
529.35266	2.2
539.33801	7.7
543.36957	1.5
557.21643	2.0
557.34637	67.2
575.35577	100.0
575.50250	2.5
576.35999	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	574.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.68421	0.9
58.70982	0.8
61.02898	0.9
62.33032	0.9
69.03419	2.0
70.06586	2.6
71.04990	3.6
71.78519	0.9
72.08144	1.5
73.02901	3.1
79.05484	1.7
81.03410	2.6
84.08114	1.2
85.02899	3.9
86.09713	1.6
89.06013	3.1
91.05463	12.1
94.04185	1.2
95.04951	1.6
97.01902	0.9
97.02891	2.9
99.04427	7.1
100.67841	1.0
103.05440	4.7
105.07005	2.6
108.04447	1.7
109.02879	3.3
109.06458	2.2
110.03632	1.2
111.04443	2.3
114.09169	1.5
115.05450	2.7
116.07070	1.9
117.07024	1.8
119.04920	17.6
121.02832	6.0
121.06455	5.4
122.03638	2.7
122.05946	0.9
122.93733	0.9
123.04429	2.1
125.05974	2.8
127.03905	1.9
130.08614	9.1
131.04922	6.4
133.02849	1.1
133.06500	3.2
134.03661	1.1
135.04404	1.1
135.08055	1.5
137.05951	100.0
138.06290	1.0
143.04942	3.3
145.04929	1.7
145.06488	1.2
147.04393	10.2
147.08046	2.3
149.05962	10.2
150.06731	1.1
151.03954	1.5
151.07518	19.7
153.05481	1.2
153.06908	1.2
160.05182	3.3
160.09683	1.2
161.05942	13.9
162.06769	4.9
163.03902	2.3
163.07512	11.4
167.07016	1.2
175.07504	14.6
177.09093	1.2
179.07066	6.8
179.08499	1.9
181.06659	2.2
181.08557	43.2
182.07182	0.9
187.07552	1.9
187.09624	1.0
189.05423	1.1
191.07008	1.0
191.08591	2.8
193.06477	1.6
194.07184	1.8
195.08052	1.6
205.06764	1.6
205.08446	5.8
207.06357	1.3
207.08054	3.1
210.06839	1.6
211.07536	1.1
213.09123	2.1
219.08055	5.0
221.05956	2.6
222.06873	1.6
224.08173	1.2
225.09143	1.5
235.07538	1.5
237.09094	1.6
239.06972	1.4
239.10638	3.5
241.08554	2.2
247.07462	2.3
251.06911	1.1
251.10680	2.0
253.08594	2.7
258.09137	1.6
264.07883	1.3
265.08536	8.2
267.10132	3.9
269.08179	1.4
272.10410	2.9
273.11093	4.4
277.16470	1.1
279.10120	9.3
281.08246	1.2
283.09634	1.7
285.11179	6.7
295.09412	1.8
297.11087	6.7
299.12732	15.0
310.11993	1.9
311.12683	12.5
315.12329	1.3
327.12122	4.4
329.13803	14.0
341.13699	6.8
347.14746	4.9
359.14828	72.7
377.14441	3.6
412.16003	1.3
450.92963	1.0
463.49969	1.0
556.26123	2.1
574.20068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.01855	4.3
55.05503	11.4
57.03428	15.1
57.06792	2.8
57.07066	37.3
58.66076	1.6
65.03918	2.0
67.05499	25.1
69.07058	12.8
70.30058	1.6
71.01352	4.6
71.04969	2.6
71.08619	22.4
71.24697	2.7
71.25038	3.7
73.15366	1.6
79.05479	18.3
81.03404	19.4
81.06604	1.9
81.07041	27.8
83.01325	3.8
83.04967	14.3
83.08606	16.4
85.02881	4.4
85.10165	14.3
87.04449	27.5
89.05991	2.7
89.54933	1.5
91.05461	15.6
93.07029	22.7
95.04939	8.3
95.08579	23.3
97.02882	7.3
97.06491	5.1
97.10155	9.0
99.04492	2.3
105.07024	7.4
107.04941	9.8
107.08554	14.9
109.06487	3.1
109.10142	13.7
111.04425	5.3
117.06994	5.4
119.08550	11.0
121.06557	3.0
121.10133	9.9
123.08043	4.6
123.11693	2.9
125.09534	2.6
131.08543	5.1
133.10088	3.3
135.08017	2.4
135.11664	13.6
141.69260	1.6
145.10098	15.9
147.07980	4.8
149.09575	2.9
153.12730	13.0
155.08553	1.7
163.11147	29.3
163.17172	1.9
173.09593	5.2
181.12219	5.2
191.10658	9.0
195.18953	1.8
209.11707	27.4
227.12733	19.3
257.24548	2.4
265.14264	8.0
283.15335	28.2
301.16422	68.8
313.27301	100.0
314.27634	4.4
367.75369	1.7
406.03076	1.9
431.44711	1.8
470.17499	1.9
503.37173	5.9
521.38348	36.6
539.31360	3.5
539.39355	66.0
540.39655	2.7
574.25049	5.1
574.39185	6.7
574.48853	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	573.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
51.28447	1.0
53.03936	7.0
55.01866	23.2
55.05502	33.5
57.03432	8.8
57.07054	3.1
59.04980	1.8
60.48784	1.0
60.70099	1.0
65.03933	4.7
67.05495	73.8
67.56435	0.9
69.03416	5.1
69.06689	1.5
69.07059	27.6
69.61645	8.9
71.04983	6.3
71.08608	1.3
77.03909	1.0
79.05481	100.0
81.03410	9.3
81.07045	74.1
83.04970	16.1
83.08605	18.0
85.02885	1.2
85.06536	3.3
91.05468	83.3
93.07032	85.3
95.01255	1.1
95.04951	27.6
95.08593	42.1
97.02910	2.5
97.06515	30.3
97.10159	13.3
99.08089	2.6
102.66565	1.4
103.03823	1.1
103.05457	2.9
104.90408	1.2
105.04527	1.4
105.07018	72.4
107.04942	23.0
107.08580	48.0
109.06509	11.7
109.10146	18.2
111.04396	1.5
111.08060	5.9
113.09627	1.6
115.05434	3.3
116.06246	1.2
117.07003	23.9
119.08562	47.4
121.06509	7.9
121.10117	16.4
123.08034	9.7
123.11669	5.4
125.09609	12.3
128.06204	3.2
129.06992	18.4
130.07767	1.2
131.04956	1.4
131.08548	21.5
133.06462	3.8
133.10106	30.3
135.08070	5.3
135.11694	11.5
137.05951	1.2
137.09590	4.4
139.07581	1.2
141.06949	4.0
141.09074	1.7
142.07764	1.2
143.08566	14.1
145.06467	2.7
145.10110	24.4
147.08052	3.6
147.11665	43.7
149.09608	23.8
149.13246	3.0
151.11148	2.7
153.06976	1.3
155.08542	4.2
156.09285	1.5
157.08894	1.3
157.10036	5.1
159.08101	2.9
159.11684	13.1
161.09578	5.2
161.13264	13.8
163.11163	13.3
165.09091	1.9
165.12720	2.0
169.10110	4.5
171.10255	1.6
171.11659	26.8
173.09605	1.7
173.11900	1.8
173.13223	7.0
175.11169	2.8
177.12729	3.5
179.10564	1.3
179.14359	2.7
181.12210	1.2
183.11678	4.9
183.94255	1.1
185.13243	3.0
187.11194	3.0
187.14822	3.3
189.11208	7.2
189.12752	10.9
191.14308	1.4
195.11615	1.4
197.13269	3.0
199.14874	1.6
201.16365	2.0
207.13779	21.6
209.13240	1.2
215.17805	1.2
225.14893	2.5
227.12753	28.3
227.17886	1.4
229.19437	3.8
233.15346	1.2
233.18817	1.1
239.17918	3.3
247.20576	3.1
255.17273	1.2
257.18982	12.7
263.16470	1.3
267.15918	2.1
273.18475	2.9
275.20029	84.8
276.20340	1.7
279.15906	2.8
281.17432	54.0
291.19443	5.4
293.21143	7.3
309.09903	1.1
331.22675	2.4
349.23715	37.1
356.42709	1.0
377.23187	5.1
390.95767	1.2
425.15942	1.3
451.26703	5.6
459.30911	4.5
475.30292	2.4
521.40692	1.2
537.35419	2.6
541.35168	2.5
555.36755	56.9
556.36835	2.1
573.38153	21.0
573.48016	1.8
574.38135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.05510	16.5
57.07068	32.6
62.41805	1.8
65.43125	1.9
66.76359	1.8
67.05492	36.4
69.06792	1.6
69.07065	17.9
69.88779	13.5
71.08620	23.7
71.60104	1.8
73.04616	1.8
79.05481	24.9
81.06590	3.0
81.07042	32.9
83.08609	16.8
85.10182	11.8
87.04446	4.3
91.05463	17.3
93.07035	29.2
95.04955	4.6
95.08597	40.8
97.10148	7.1
105.07028	9.6
107.08570	16.0
109.10161	16.1
117.07042	3.5
119.08562	7.2
121.10104	15.8
123.11700	3.7
131.08542	6.7
133.10098	5.1
135.11664	9.3
145.10106	2.6
147.11641	3.1
149.13168	5.3
159.11632	4.1
161.13274	3.0
173.13283	3.8
232.36272	1.8
239.23705	5.8
243.21031	3.4
253.80383	2.0
261.22183	10.7
313.27451	5.7
317.24796	10.2
567.90948	4.0
573.48724	100.0
574.49194	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	573.3027
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03924	0.9
55.01861	0.5
55.05496	4.7
57.03428	4.8
57.07068	24.5
65.03917	0.6
67.05495	12.2
69.03411	1.0
69.07056	6.1
71.04958	1.1
71.08621	15.2
71.79315	0.7
75.04455	0.5
79.05486	5.3
81.03402	3.8
81.06593	0.7
81.07043	11.7
83.04969	0.9
83.08613	7.2
85.02891	0.9
85.06510	0.8
85.10172	8.4
91.05457	4.3
93.07032	5.8
95.04926	1.6
95.08596	13.3
97.06488	0.8
97.10165	3.3
98.98455	22.0
105.07027	4.2
107.04923	1.1
107.08577	3.1
109.02875	2.6
109.06535	0.7
109.10135	6.7
116.99538	0.6
117.06995	1.3
119.08533	3.3
121.06450	0.6
121.10140	2.3
123.11662	1.7
125.09598	0.6
127.03921	0.9
129.06969	0.7
131.08553	1.5
133.10069	2.1
135.11655	1.3
137.13214	0.7
143.08487	1.0
145.10098	1.5
147.11642	1.3
149.09599	0.9
155.01012	20.8
155.08568	0.5
157.10074	0.5
159.11607	0.9
161.13235	0.6
171.11617	1.3
173.02065	1.6
183.11778	0.6
201.12675	1.3
215.10652	2.5
221.15367	0.9
229.12225	2.0
230.12984	4.9
239.23723	3.2
252.60638	0.5
261.03677	1.0
275.19968	3.2
281.17435	2.2
306.98746	0.5
313.27319	100.0
314.27606	2.1
317.06195	3.3
335.07288	1.5
349.23489	0.8
353.20209	0.6
383.28113	0.7
384.24393	3.4
393.23956	4.6
401.28885	3.5
537.28522	3.0
555.28265	0.7
555.36310	1.1
573.21954	0.8
573.40302	2.5
573.48682	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	573.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94429	1.8
55.01860	4.9
55.05491	6.7
57.03428	16.2
61.02918	5.0
67.05492	7.4
69.03419	26.8
69.07050	3.4
69.75266	6.6
69.75685	6.5
71.01344	3.7
71.04980	35.9
73.02901	27.3
75.04456	5.7
79.05479	7.7
81.03398	6.1
81.07034	7.5
83.04967	20.0
83.08627	3.4
85.02888	100.0
87.04472	3.3
91.05463	7.3
93.07029	8.3
95.04947	6.6
95.08581	5.3
97.02878	54.5
97.10181	2.3
99.04431	3.0
103.03922	3.3
105.07004	4.8
107.04876	2.6
107.08604	4.3
109.06506	3.5
109.10127	2.7
111.04425	14.8
111.08044	2.8
115.03916	50.4
117.06998	2.5
119.08528	5.1
120.47254	1.9
120.86994	1.8
121.10107	3.4
125.05917	2.0
127.03896	7.4
129.05457	31.4
129.06953	2.3
131.08583	2.4
133.04938	10.8
133.10091	3.1
137.05966	2.6
139.03865	3.6
145.04939	3.3
145.10129	2.2
147.06505	15.4
147.07559	2.0
147.11676	3.0
153.05486	2.1
153.34201	1.8
157.04919	5.1
159.18167	1.9
163.05914	2.6
163.11133	2.1
169.04871	2.5
171.06566	3.8
211.05991	5.3
225.07556	14.7
229.07057	7.6
243.08560	10.7
247.08052	2.4
261.09631	4.2
265.09097	15.5
273.18597	2.9
279.10739	24.8
289.18127	3.0
295.10117	3.1
309.11807	2.9
424.27878	1.9
465.18021	2.0
475.26825	3.0
555.32666	5.6
573.34082	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	572.3579
Annotation	Leu Gln Arg Arg
Peak:m/z	Relative Intensity
50.64195	0.2
53.03931	0.6
55.01880	0.3
55.05498	1.7
56.62438	0.2
57.03415	0.4
57.07059	0.4
59.04982	0.4
60.30246	0.2
65.03925	0.3
66.04687	0.2
67.05505	1.4
68.05019	0.6
69.03419	2.8
69.07066	2.1
70.06585	6.6
70.73483	0.2
71.04971	0.7
71.79838	0.4
71.80199	0.3
72.08166	1.3
72.88846	0.2
73.02910	0.6
76.38311	0.3
79.05486	1.3
81.03405	0.8
81.07053	3.7
83.04958	0.6
83.08627	1.3
84.08139	2.1
85.02901	1.7
86.06055	4.1
86.09717	0.5
87.04455	4.3
87.04974	0.3
91.05462	2.0
93.07033	2.6
94.06578	0.4
95.04968	0.6
95.08595	3.5
97.02893	0.5
97.06522	1.7
97.10167	0.9
97.45238	0.2
98.06043	24.4
98.09713	0.3
99.04473	0.4
104.07096	0.6
105.07024	3.5
107.08580	3.7
109.02867	0.7
109.06489	0.6
109.10141	2.3
110.09669	0.4
111.08070	0.3
112.07589	5.0
114.09129	1.8
115.05423	0.4
116.07083	1.5
117.03358	0.3
117.07005	1.1
119.04910	0.3
119.08575	3.5
121.06477	0.6
121.10131	3.1
123.08039	0.3
123.11694	1.1
124.29303	0.3
127.03928	0.7
129.06999	0.9
130.08632	2.4
130.46822	0.2
131.04831	0.3
131.08542	2.5
133.06430	0.3
133.10123	3.0
135.08029	0.4
135.11687	1.6
137.05972	0.5
137.09624	0.5
137.13232	0.5
140.07076	0.3
140.10684	8.3
141.06958	0.3
145.02806	0.3
145.04939	0.3
145.10106	3.0
147.08006	0.4
147.11681	1.6
149.05971	0.3
149.09581	0.7
149.13248	1.0
151.11244	0.3
151.14778	0.4
154.12318	0.3
155.08531	0.8
156.64455	0.2
157.10014	1.7
158.05983	0.3
158.11739	1.4
159.11676	2.0
161.09656	0.4
161.13237	1.7
162.14989	0.2
162.93140	0.2
163.03929	1.0
163.07585	0.3
163.14743	1.1
167.07111	0.3
169.10095	1.4
170.05974	1.7
170.11868	0.3
171.11690	2.7
173.02379	0.4
173.13269	2.6
175.14830	1.7
177.05426	0.6
177.09048	0.2
177.16341	0.4
181.10052	0.4
183.11685	1.5
185.13174	1.7
187.11134	0.4
187.14859	1.9
189.12761	0.5
189.16354	0.5
194.11819	0.3
195.11688	0.7
197.13243	1.3
199.11249	0.3
199.14780	1.5
201.10294	0.3
201.12709	0.3
201.16455	1.0
203.14360	0.3
207.06435	0.4
209.13330	0.7
211.14771	1.2
213.14676	0.4
213.16386	1.6
215.07048	0.6
215.17940	0.8
217.12230	0.4
223.14857	0.8
225.16409	0.9
227.17967	1.2
231.15823	0.3
237.16396	0.9
239.17946	2.1
241.19493	0.8
250.09840	0.3
251.17932	0.5
253.19543	0.7
255.17595	0.2
255.21060	0.4
259.09631	2.3
263.18018	0.2
265.12277	0.5
265.19559	0.7
267.21097	0.8
277.19482	0.3
279.21127	0.5
281.22675	0.4
283.17056	0.3
285.18512	0.4
291.18201	0.3
293.22672	0.8
295.24286	0.8
305.22882	0.3
306.20618	0.6
310.12418	0.3
311.19815	0.4
323.23654	0.3
332.22214	0.4
344.22293	0.5
349.28787	0.5
377.28616	0.3
395.29312	0.5
434.34256	0.6
462.33578	0.3
480.34680	1.5
508.34412	0.4
513.25134	0.8
526.35291	1.0
544.37213	0.3
554.34534	2.4
572.35767	100.0
573.28210	0.4
573.36243	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	571.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02641	0.5
70.43457	2.0
70.43884	1.2
77.00906	0.6
81.03398	0.6
82.99877	1.8
97.02885	0.8
98.21496	0.7
98.97547	1.9
101.00862	6.9
105.00349	0.6
109.02842	1.0
113.00850	1.6
115.02433	1.1
116.98618	1.7
119.01907	26.3
127.02393	1.4
128.98557	0.6
131.01878	10.2
133.03456	4.4
134.99629	0.8
137.02921	3.9
139.02362	1.2
143.01877	21.0
145.03435	13.2
145.04642	1.0
147.01372	2.2
147.05006	0.8
149.02919	1.8
155.01869	14.6
157.03439	6.5
158.99625	0.7
159.04951	0.8
161.02934	32.1
163.04498	2.4
167.01862	6.4
168.99744	3.2
169.03479	2.7
171.01393	1.8
171.04994	2.0
173.02934	27.8
174.03094	0.7
175.04553	3.5
177.00714	1.2
177.02344	1.3
179.01845	3.4
179.04042	0.7
180.99733	0.9
184.04504	1.3
185.02934	43.8
186.03146	0.8
187.00842	6.6
187.04459	5.4
189.02403	3.1
190.27806	0.6
191.04008	4.1
196.04570	0.7
196.99307	2.7
197.02925	14.9
199.00830	2.8
199.04518	1.4
201.02438	3.0
203.02142	0.9
203.03981	13.2
204.21768	0.6
205.05521	0.6
208.04538	0.9
209.02893	1.5
213.02402	1.6
215.00423	9.6
215.03967	11.0
217.01979	3.2
217.05345	0.7
219.03464	2.7
221.03246	0.7
221.05020	3.9
227.03960	10.1
228.55833	0.9
229.01907	3.6
231.03459	4.3
233.05005	0.8
239.03871	1.1
241.02000	0.8
245.05037	100.0
246.05193	2.2
247.02892	7.5
249.04616	1.0
251.02553	0.7
253.01704	0.7
257.04929	5.5
259.02911	3.9
261.02689	0.6
263.06125	12.0
271.02988	3.8
273.04568	1.2
275.02478	3.9
275.06076	13.6
277.04037	1.0
279.03653	0.6
286.07840	0.9
287.06024	0.6
289.03931	9.7
291.05496	1.1
293.07248	3.5
299.02484	3.5
301.03934	2.5
303.05551	1.9
305.07111	12.3
307.05069	9.1
315.05527	1.0
317.03549	0.9
317.06940	0.7
319.05133	3.4
321.06934	0.8
331.05032	9.0
333.06717	1.0
335.08090	4.4
337.09604	1.7
349.06091	15.4
359.04572	4.0
361.06161	1.9
365.09256	21.1
365.13864	1.1
373.05939	0.9
377.05579	4.3
383.10446	1.4
391.07083	4.5
409.08276	3.1
411.09836	1.2
450.65897	0.6
451.09192	0.9
469.10425	2.1
483.11774	1.6
511.11340	12.7
512.11700	0.7
539.10718	3.8
541.12762	1.0
571.13660	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	571.2375
Annotation	Macrocliniside D
Peak:m/z	Relative Intensity
52.32204	0.1
53.03926	0.2
55.01855	0.2
55.05477	0.2
57.03404	0.4
61.02905	0.6
65.76527	0.1
67.05489	0.3
69.03418	1.4
69.07059	0.2
69.51279	0.5
69.51710	1.0
70.06567	0.4
71.04975	0.3
72.08133	0.2
73.02898	0.3
79.05474	0.4
81.03414	1.1
81.07022	0.3
83.72251	0.1
85.02891	4.6
85.98183	0.1
86.09663	0.4
87.04433	0.2
89.05980	0.1
91.03936	0.2
91.05462	0.4
93.07028	0.3
95.04959	0.3
95.08582	0.2
97.02877	1.8
97.06515	0.3
99.04427	0.4
105.07002	0.5
107.04948	0.3
107.08601	0.3
109.02853	0.7
109.06536	0.2
109.10169	0.2
111.04413	0.2
114.09139	0.3
115.05457	0.2
117.06979	0.3
119.04935	0.3
119.08540	0.3
121.02853	0.2
121.06457	0.4
121.10143	0.2
122.03632	0.1
125.09590	0.1
127.03888	1.3
131.04887	0.4
131.08531	0.4
133.06375	0.2
133.10074	0.3
137.05949	1.4
143.08565	0.2
145.02835	0.2
145.04913	0.9
145.06483	0.4
145.10057	0.4
147.04364	0.5
151.03856	0.4
151.07507	0.2
153.05466	0.2
155.08487	0.3
157.06384	0.1
159.08040	1.3
159.11649	0.2
161.05959	0.4
163.03906	0.5
163.07474	0.4
167.06992	0.6
168.09314	0.3
169.10085	0.2
173.05956	0.3
173.09613	0.6
173.13162	0.2
175.03912	0.2
175.07521	0.5
177.05487	0.2
181.08707	0.2
183.11682	0.5
185.09573	0.2
187.07506	3.3
187.11101	0.3
189.09041	0.4
191.06987	1.2
192.07846	0.7
193.08644	0.1
195.07957	0.1
198.08633	0.1
199.07405	0.2
201.08995	0.3
201.12730	0.9
203.17914	0.1
204.07877	0.2
205.08551	3.1
207.06557	0.3
211.11162	1.1
214.09891	0.5
217.08563	2.0
218.09331	0.4
219.02800	0.3
219.10120	0.3
229.12195	1.8
230.12965	0.5
232.10910	7.6
233.11253	0.2
247.13252	100.0
248.13608	2.6
261.03983	0.2
305.97961	0.1
339.07202	0.2
380.18582	0.2
409.18704	0.2
571.21722	1.8
571.33057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01872	1.0
55.05492	0.7
56.05026	0.6
57.03420	0.8
58.48158	0.6
61.02921	1.1
66.67263	0.6
67.05482	1.1
69.03399	2.8
69.07048	0.6
69.97137	0.6
70.06567	1.1
71.04979	0.8
71.12144	1.4
71.12513	1.2
79.05475	1.9
81.03408	2.3
81.07038	0.9
85.02888	9.3
86.09693	0.8
89.03899	1.4
90.59422	0.6
91.05466	5.0
93.07021	2.9
93.65424	0.5
95.04954	1.4
95.08582	1.3
96.08119	1.0
97.02876	3.5
97.85575	0.7
98.20843	0.7
99.04438	1.3
103.05464	2.2
105.07008	2.6
107.04941	6.1
108.09769	0.6
109.02847	2.3
109.06493	0.8
111.04369	0.8
114.09151	5.9
115.05418	1.5
117.03368	2.4
117.07001	1.3
119.04917	2.4
119.08588	0.7
121.06499	5.2
123.04387	2.1
123.08076	1.0
125.05952	1.1
127.03880	1.9
128.06209	1.6
129.06987	8.9
130.08609	1.6
131.04906	4.5
131.08553	7.0
133.06505	1.5
133.10068	0.9
135.04404	1.2
135.08014	1.4
137.05946	10.1
141.06978	3.0
143.04791	1.5
145.02795	8.5
145.04997	1.2
145.06450	2.2
146.07205	1.1
147.04373	3.6
148.05182	1.2
149.05995	3.2
151.03862	0.8
151.07518	6.6
152.04625	1.2
153.05455	3.1
157.06459	9.7
158.07220	1.6
159.04372	0.7
159.08009	5.8
160.05130	0.7
160.09633	3.0
161.05949	7.6
161.09618	2.7
162.07640	0.9
163.03905	2.2
163.07483	6.1
165.05510	0.8
165.06903	1.1
165.09085	2.2
166.06223	2.8
167.07011	25.5
167.08311	1.1
169.06474	1.5
169.10072	0.8
173.06013	0.8
174.06746	10.4
175.07521	7.4
177.05452	25.4
177.09026	3.4
178.05798	0.7
178.08620	1.9
179.06998	1.4
179.08784	1.3
180.08670	3.1
181.04996	0.9
181.08569	26.6
186.06750	2.0
187.07506	2.3
189.09081	38.7
191.07004	1.8
191.10672	1.9
193.08604	1.8
195.08076	2.4
195.09831	0.8
197.09634	2.3
201.09067	6.3
207.08258	1.0
207.10088	4.3
208.08725	0.9
211.16847	1.0
219.10124	69.6
220.10454	0.8
221.06036	0.7
223.07475	1.9
223.11182	1.0
225.09131	4.2
229.12160	1.0
236.08170	0.9
237.09071	0.9
237.11172	1.0
239.07074	1.0
239.10596	0.7
240.07838	0.8
241.08540	1.1
249.11325	0.9
250.06265	0.8
251.06992	1.0
251.10670	0.9
253.08528	3.2
255.10175	1.3
257.11691	5.1
265.08429	1.2
267.10034	1.3
270.08847	1.3
279.10272	2.2
283.09634	2.8
283.13242	2.8
285.11163	9.7
297.11172	1.2
299.08911	0.6
302.11511	2.0
303.04819	0.8
311.12823	3.5
315.12265	5.1
317.13815	8.3
321.09534	0.7
329.13779	0.8
331.15393	2.2
339.10788	2.5
343.15356	15.5
346.14386	0.8
361.16400	100.0
373.16159	1.7
570.19476	1.4
570.26587	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	570.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01872	1.0
55.05492	0.7
56.05026	0.6
57.03420	0.8
58.48158	0.6
61.02921	1.1
66.67263	0.6
67.05482	1.1
69.03399	2.8
69.07048	0.6
69.97137	0.6
70.06567	1.1
71.04979	0.8
71.12144	1.4
71.12513	1.2
79.05475	1.9
81.03408	2.3
81.07038	0.9
85.02888	9.3
86.09693	0.8
89.03899	1.4
90.59422	0.6
91.05466	5.0
93.07021	2.9
93.65424	0.5
95.04954	1.4
95.08582	1.3
96.08119	1.0
97.02876	3.5
97.85575	0.7
98.20843	0.7
99.04438	1.3
103.05464	2.2
105.07008	2.6
107.04941	6.1
108.09769	0.6
109.02847	2.3
109.06493	0.8
111.04369	0.8
114.09151	5.9
115.05418	1.5
117.03368	2.4
117.07001	1.3
119.04917	2.4
119.08588	0.7
121.06499	5.2
123.04387	2.1
123.08076	1.0
125.05952	1.1
127.03880	1.9
128.06209	1.6
129.06987	8.9
130.08609	1.6
131.04906	4.5
131.08553	7.0
133.06505	1.5
133.10068	0.9
135.04404	1.2
135.08014	1.4
137.05946	10.1
141.06978	3.0
143.04791	1.5
145.02795	8.5
145.04997	1.2
145.06450	2.2
146.07205	1.1
147.04373	3.6
148.05182	1.2
149.05995	3.2
151.03862	0.8
151.07518	6.6
152.04625	1.2
153.05455	3.1
157.06459	9.7
158.07220	1.6
159.04372	0.7
159.08009	5.8
160.05130	0.7
160.09633	3.0
161.05949	7.6
161.09618	2.7
162.07640	0.9
163.03905	2.2
163.07483	6.1
165.05510	0.8
165.06903	1.1
165.09085	2.2
166.06223	2.8
167.07011	25.5
167.08311	1.1
169.06474	1.5
169.10072	0.8
173.06013	0.8
174.06746	10.4
175.07521	7.4
177.05452	25.4
177.09026	3.4
178.05798	0.7
178.08620	1.9
179.06998	1.4
179.08784	1.3
180.08670	3.1
181.04996	0.9
181.08569	26.6
186.06750	2.0
187.07506	2.3
189.09081	38.7
191.07004	1.8
191.10672	1.9
193.08604	1.8
195.08076	2.4
195.09831	0.8
197.09634	2.3
201.09067	6.3
207.08258	1.0
207.10088	4.3
208.08725	0.9
211.16847	1.0
219.10124	69.6
220.10454	0.8
221.06036	0.7
223.07475	1.9
223.11182	1.0
225.09131	4.2
229.12160	1.0
236.08170	0.9
237.09071	0.9
237.11172	1.0
239.07074	1.0
239.10596	0.7
240.07838	0.8
241.08540	1.1
249.11325	0.9
250.06265	0.8
251.06992	1.0
251.10670	0.9
253.08528	3.2
255.10175	1.3
257.11691	5.1
265.08429	1.2
267.10034	1.3
270.08847	1.3
279.10272	2.2
283.09634	2.8
283.13242	2.8
285.11163	9.7
297.11172	1.2
299.08911	0.6
302.11511	2.0
303.04819	0.8
311.12823	3.5
315.12265	5.1
317.13815	8.3
321.09534	0.7
329.13779	0.8
331.15393	2.2
339.10788	2.5
343.15356	15.5
346.14386	0.8
361.16400	100.0
373.16159	1.7
570.19476	1.4
570.26587	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	568.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.05495	1.8
57.07054	0.7
60.59137	0.3
67.05494	1.8
68.04999	0.4
69.07063	1.2
69.64712	2.2
70.02930	0.7
70.06571	0.9
71.04949	0.4
71.08615	0.6
72.08138	1.0
79.05482	4.4
81.05790	0.6
81.07042	4.5
82.06570	1.9
83.04952	0.4
83.08582	0.6
84.08129	0.5
85.06507	0.3
88.07617	0.4
91.05460	2.1
93.07036	5.0
94.06564	1.6
95.04965	0.7
95.08590	8.5
96.08114	9.5
97.06505	0.5
97.10143	0.4
98.09665	0.6
98.20664	0.5
102.09143	0.5
105.07019	3.8
107.04996	0.3
107.08573	8.5
109.06502	0.5
109.10140	2.3
117.07011	0.3
119.08565	4.1
121.10120	9.5
123.08007	0.4
123.11676	1.9
124.07570	27.2
125.05979	0.4
125.07902	0.3
128.06209	0.3
129.07021	0.3
131.07622	0.4
131.08549	2.2
133.10094	3.6
134.09526	0.3
135.11670	2.2
136.07607	0.3
138.12727	0.4
142.08620	6.8
143.08521	0.6
144.08078	0.4
145.08923	0.5
145.10089	2.5
146.09616	0.4
147.11627	1.6
148.11191	4.3
149.09621	0.3
149.13249	0.8
150.09174	0.3
150.12788	0.7
157.10110	1.3
158.09686	0.3
159.10458	0.5
159.11682	1.5
160.11209	1.0
161.13229	1.3
163.14778	1.0
164.10704	2.8
168.13809	0.6
169.10045	0.3
170.08096	23.2
171.11719	0.9
172.11191	0.5
173.11961	0.3
173.13263	1.6
175.14801	1.7
177.16397	0.6
183.11685	0.5
185.13258	1.4
187.13460	0.4
187.14830	2.9
189.16342	1.2
190.12282	0.6
197.13283	0.7
199.14732	1.3
201.16318	1.7
202.15875	4.2
203.17979	0.4
205.12263	0.3
211.14705	0.3
213.16391	1.0
214.14334	1.0
218.15205	0.3
220.16959	1.8
227.17880	0.6
229.19612	0.5
248.16438	0.5
253.19545	0.4
264.15875	0.7
284.29617	0.6
309.25568	1.4
311.29346	0.7
312.32800	0.3
335.25674	0.3
355.26248	2.5
471.41040	0.3
492.34631	0.7
504.38748	0.6
515.37146	0.4
522.39368	26.1
523.39362	1.2
568.39874	100.0
569.40204	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	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01942	1.0
51.02360	1.1
53.03925	3.4
55.01847	1.1
55.05505	11.2
57.07071	9.7
59.04983	1.6
65.03922	2.8
67.05137	1.0
67.05497	18.0
69.03387	2.4
69.07056	11.8
70.06590	4.6
71.04980	2.7
71.08602	4.2
71.54433	1.9
73.62366	1.0
79.05480	20.2
80.06250	3.6
81.07043	32.5
83.04955	2.3
83.08598	4.0
83.98715	0.9
85.06519	3.3
85.10163	1.8
88.07615	4.8
91.05466	43.1
92.06230	2.1
92.13022	0.8
93.07030	52.0
94.07819	1.3
95.04952	37.7
95.08591	30.2
97.06478	1.9
97.10172	1.2
102.09179	5.3
102.09737	0.8
103.05437	3.0
105.07015	77.6
106.07836	4.4
107.04888	1.4
107.08581	41.1
108.09393	1.4
109.06503	5.1
109.10138	18.0
109.83121	1.0
111.08037	2.0
115.05427	5.4
116.06199	1.7
117.06998	25.3
118.07787	2.4
119.08563	100.0
120.09360	9.5
121.06494	2.5
121.10134	30.0
123.08054	16.6
123.11697	5.2
125.09580	1.4
128.06203	10.2
129.06981	16.4
130.07771	9.7
131.08545	50.9
132.09349	10.5
133.06528	1.5
133.10110	56.1
134.10931	7.5
135.08023	5.7
135.08911	0.9
135.10683	0.6
135.11665	16.8
137.09552	5.8
138.10373	8.9
139.11172	1.9
141.07014	6.7
142.07759	14.7
143.08542	39.9
144.09323	12.4
145.10103	84.1
146.10933	5.4
147.08026	2.9
147.11667	23.7
149.09557	6.0
149.13290	6.0
151.11150	3.4
151.14896	1.6
153.06966	3.0
154.07735	2.2
155.08537	13.8
156.09323	16.0
157.10104	47.6
158.10904	11.8
159.08018	2.5
159.11673	42.6
160.12437	4.0
161.09666	6.3
161.13219	7.6
163.11179	3.7
163.14787	2.1
165.06958	5.2
166.07784	2.7
167.08566	8.1
168.09285	5.9
169.10106	23.0
170.10910	8.9
171.11659	31.9
172.12500	6.4
173.09631	1.5
173.13243	28.9
174.13940	1.0
175.11154	1.1
175.14809	20.6
177.12694	7.4
179.08557	7.8
179.14308	0.9
180.09290	3.1
181.10081	16.2
181.68309	0.9
182.10863	8.0
183.11670	23.3
184.12442	4.8
185.13243	21.9
186.13979	7.2
187.11261	1.1
187.14780	13.7
189.12721	4.9
189.16391	1.8
191.14305	10.3
192.09358	2.9
192.15088	3.1
193.10121	8.2
193.15837	2.8
194.10870	7.2
195.11665	17.1
196.12457	7.9
197.13232	25.2
198.14018	5.7
199.14815	11.2
201.12733	2.7
201.16359	8.2
203.14273	2.5
205.10185	2.0
205.15820	1.6
206.10884	3.1
207.11664	9.8
208.12428	4.6
209.13214	25.6
210.13957	4.0
211.14799	17.1
212.15546	2.1
213.12914	1.9
213.16354	5.6
215.14270	1.3
215.17920	1.2
217.15846	5.8
218.10875	1.3
219.11589	2.9
219.17432	1.5
220.12424	2.5
221.13278	7.4
222.14035	3.2
223.14781	10.6
224.15506	4.3
225.12715	1.4
225.16331	10.6
226.17145	3.1
227.14253	3.1
227.17905	1.7
229.15755	1.2
231.11546	1.3
231.17326	2.7
232.12553	1.5
233.13223	3.5
234.13904	1.4
235.14775	7.1
236.15672	1.9
237.16325	8.3
238.17078	2.4
239.17892	4.8
240.18628	1.4
241.15990	1.5
241.19481	1.8
245.13235	1.9
246.19804	1.5
247.14830	2.9
248.15689	1.4
249.16431	4.5
250.17291	1.0
251.17924	4.3
253.19556	1.8
255.17448	2.7
256.18137	0.9
257.18973	2.2
258.19714	1.4
259.14682	2.1
259.20557	2.5
261.16406	4.3
263.17920	6.6
264.18390	1.8
265.19580	5.5
267.17392	1.3
267.20987	2.1
270.19882	1.9
271.20517	1.4
272.21313	2.0
273.16315	1.9
275.17834	2.7
277.19446	3.3
279.21057	2.5
281.19058	1.6
283.20538	3.9
283.26230	4.2
284.29462	10.0
285.22073	2.6
289.19180	1.3
291.20981	1.4
297.22043	2.6
301.19629	1.5
305.22574	2.5
309.22375	1.5
311.29413	10.1
312.32562	2.9
319.24173	1.1
320.24792	1.2
323.23550	6.6
324.24353	2.2
331.23917	1.1
335.23630	1.1
337.25287	3.0
338.26001	53.1
349.25327	2.0
350.26001	1.4
351.26602	1.3
375.26755	1.9
415.29895	1.7
420.30066	2.5
429.31894	1.1
430.32361	17.1
458.35297	1.9
476.30069	1.4
476.36472	26.6
550.41925	1.7
568.42480	45.0
568.56396	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	567.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83803	0.4
53.03927	0.7
53.73355	0.4
55.01851	0.5
55.02959	0.9
55.05502	6.8
59.95958	0.4
60.05640	5.7
69.03409	1.3
70.06570	2.2
71.79128	0.6
72.07757	0.7
72.08144	11.5
73.02872	0.5
77.25620	0.4
79.05463	0.8
81.03385	1.6
81.07037	0.5
85.02881	1.8
87.07953	0.7
89.10762	1.1
91.05460	2.7
95.04962	1.1
97.02884	1.1
97.06527	0.6
97.07648	4.4
98.06038	25.6
103.05457	1.3
105.06992	1.0
106.06536	1.3
107.04925	1.1
108.08099	3.3
109.02841	1.9
109.08439	0.8
114.09160	0.9
114.10273	24.8
115.08678	14.8
119.04922	10.7
121.06480	4.3
122.05988	1.2
124.07584	0.9
127.03896	1.6
130.06567	1.1
130.08641	0.8
130.12044	0.5
131.04883	0.9
131.12901	1.8
132.08012	0.7
134.05989	0.8
136.03894	0.8
136.07550	1.1
137.05928	2.5
140.08101	0.6
145.02818	1.0
145.04865	0.6
146.06006	1.6
147.04385	88.0
148.04764	0.8
152.07048	3.2
153.05424	0.6
153.07344	0.9
157.10826	46.2
158.11124	0.6
159.09166	4.2
161.05922	0.8
163.03871	3.4
167.07031	1.8
172.50844	0.5
176.10687	1.2
177.05461	1.0
179.07088	0.6
181.04955	0.6
188.06985	3.0
189.09152	0.6
191.06937	0.5
193.08687	0.5
193.15958	0.5
201.10243	2.0
205.09784	0.6
206.09242	2.1
217.13341	11.6
218.11685	6.7
218.13644	0.5
234.08960	0.6
235.14400	1.8
239.08052	0.6
253.09761	0.6
260.13910	12.2
267.07443	0.6
277.16534	11.7
281.09360	0.6
288.05774	0.7
295.10620	0.5
305.12952	0.4
309.08682	1.0
327.09753	0.8
355.09119	0.6
419.13992	0.5
439.14661	0.6
471.14124	0.6
481.25488	2.3
491.35373	0.5
523.26593	100.0
524.27020	3.0
531.16144	0.9
549.17358	1.0
550.25751	0.8
567.18726	4.7
567.26648	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	565.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03934	2.2
55.01867	1.3
55.05500	9.4
57.03416	1.5
57.07059	1.8
58.25112	1.1
64.76132	0.9
65.03910	1.0
67.05494	12.4
69.03417	1.8
69.07066	7.6
71.04983	8.4
71.79420	1.2
71.79790	1.1
79.05482	10.9
81.03389	2.5
81.07043	20.6
83.04967	11.2
83.08607	4.1
85.02892	1.2
85.06534	2.1
91.05466	15.6
91.82243	1.0
93.07030	27.2
95.04956	12.3
95.07990	2.1
95.08592	33.2
95.09188	2.0
97.02884	2.5
97.06509	2.7
97.10162	3.1
98.69154	1.0
99.04443	21.3
105.07021	25.1
107.04963	2.8
107.08571	35.1
109.02811	1.2
109.06490	6.7
109.10143	23.2
111.04424	66.9
111.08082	3.0
117.06979	2.3
119.08562	27.9
121.06532	3.0
121.10122	30.4
123.04409	1.2
123.08056	19.4
123.11676	11.7
129.06990	2.4
130.07773	1.2
131.08549	8.4
133.06465	2.1
133.10107	25.3
135.04431	1.4
135.08043	10.0
135.11676	26.8
137.05968	4.1
137.09608	2.8
137.13237	3.2
139.07506	2.3
139.11160	1.4
142.07733	1.4
143.08539	5.2
145.06459	1.8
145.10110	15.1
147.08026	3.6
147.11661	16.6
149.09569	5.1
149.13214	6.5
150.56456	1.0
151.07539	3.4
152.08345	2.9
153.09106	1.7
155.08577	1.3
156.09337	1.9
157.10135	8.1
158.10847	1.2
159.08025	7.5
159.11668	11.6
160.08769	1.1
161.09576	5.6
161.13220	10.0
163.07518	1.5
163.11160	5.0
163.14775	5.5
165.08998	5.2
167.06969	1.1
169.10121	2.8
171.07910	1.1
171.11696	4.9
173.09583	21.1
173.13240	8.2
175.11176	6.3
175.14853	3.1
177.09111	4.0
177.12669	1.2
177.16399	1.9
179.10712	1.7
179.14380	1.1
181.10092	2.2
183.11678	4.4
184.07352	1.4
185.09622	2.8
185.13258	4.4
186.10458	1.2
187.11192	3.0
187.14796	6.2
189.09059	1.6
189.12761	1.9
189.16383	7.3
191.10638	2.4
191.14343	1.2
191.17876	5.5
193.12212	1.3
195.11711	2.6
197.13284	4.2
199.11229	4.0
199.14807	4.5
201.12709	6.9
201.16374	4.0
201.49075	1.0
203.14320	1.2
203.17842	5.7
207.11676	1.0
209.13298	1.2
211.14832	2.4
213.12767	4.1
213.16385	3.0
215.14288	5.8
217.12445	1.3
219.13831	2.8
221.13353	1.5
223.14867	1.5
225.12643	1.7
225.16281	1.6
226.13495	1.3
227.14337	2.7
227.18025	1.5
229.19501	1.4
231.13892	1.3
233.15395	1.8
243.13908	1.2
257.15372	1.9
279.17606	1.3
303.58197	1.2
313.21588	2.2
315.23129	2.4
369.27856	3.1
437.34222	1.5
449.34158	1.6
453.33588	9.2
455.35165	1.6
467.35144	13.3
489.33932	1.7
505.36481	1.8
507.34610	17.0
519.38702	1.9
523.37775	3.3
529.36658	4.4
547.37744	63.9
565.38818	100.0
566.39221	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	566.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.05490	1.6
57.03398	0.8
60.68690	0.6
61.02909	0.5
65.03920	0.6
67.05464	1.1
69.03401	2.2
69.07054	1.0
70.06573	1.2
71.04984	1.0
71.25537	0.6
71.25865	1.0
72.08131	0.9
73.66463	0.5
77.37585	0.6
77.82986	0.5
79.05473	1.9
81.03414	3.7
81.07021	1.8
82.06543	0.7
83.04974	0.5
83.08601	0.8
84.08134	0.8
85.02885	4.3
89.03881	3.8
91.05468	3.5
93.07020	2.1
95.04945	1.3
95.08588	0.7
97.02881	1.4
97.06516	4.1
99.04451	0.8
100.11218	1.3
105.07014	6.4
107.04929	2.1
107.08586	2.2
109.02848	1.8
109.06493	1.5
109.10130	0.6
111.04457	1.2
113.05953	0.6
114.09120	1.4
114.12788	2.4
117.03342	3.4
117.07010	1.3
119.08558	9.0
121.06459	1.1
121.10088	1.3
123.08039	0.8
123.11703	1.3
127.03879	1.2
128.10669	0.6
129.06984	0.6
130.07750	1.4
130.08633	1.1
131.04916	1.1
131.08543	1.8
133.02864	0.8
133.06468	5.8
133.10068	1.2
135.04396	10.8
136.06163	0.9
137.05991	3.1
140.07007	0.9
141.06924	0.6
143.08504	1.6
145.02824	10.3
145.06419	0.6
145.10098	11.7
146.08105	1.8
147.04324	1.8
147.08023	1.6
147.11664	16.6
149.05969	1.0
156.09285	3.2
159.08012	1.4
159.11685	0.6
161.02281	0.7
161.05948	1.5
161.13274	0.7
163.03877	100.0
164.04185	1.3
167.06985	2.1
167.08330	0.6
171.11644	3.7
173.02202	0.7
174.10344	1.4
175.03838	1.2
177.05418	3.6
178.05849	1.4
181.04944	6.1
184.07285	0.6
187.07486	1.1
189.12718	76.6
190.13020	1.3
193.04929	0.8
207.02840	1.5
207.06456	0.9
207.13821	1.6
210.14935	0.9
215.07047	1.9
259.09702	5.3
307.08148	3.1
325.09103	17.6
343.10309	1.0
506.75330	0.5
566.42615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77610	0.8
50.94888	0.8
51.02343	1.0
53.03927	1.9
55.01837	0.9
55.05306	0.7
55.05502	8.1
57.03418	1.6
57.07051	2.4
65.03928	1.4
67.05495	12.2
69.07069	9.2
69.70291	2.1
69.70697	6.8
71.04984	8.8
71.66550	0.8
79.05477	9.7
81.03415	2.2
81.06590	1.7
81.07044	21.0
83.04962	8.8
83.08614	3.2
85.02917	1.1
85.06515	1.8
86.62160	1.0
89.23170	1.0
91.05458	13.4
93.07025	26.8
95.04956	10.0
95.08591	29.4
97.06550	2.2
97.10146	1.9
99.04436	21.0
103.05446	1.3
105.07014	21.5
107.04941	1.3
107.08578	34.5
109.06503	6.7
109.10136	20.6
111.04427	61.9
111.08060	2.9
113.09663	1.2
117.06989	2.8
118.24545	1.0
119.08557	28.6
121.06489	3.8
121.10124	31.5
123.08054	19.9
123.11691	11.7
125.09652	1.7
126.62878	0.9
128.06223	1.6
129.06886	2.1
131.08551	9.6
133.06476	1.3
133.10112	25.4
133.11125	1.2
135.04337	0.9
135.08044	7.8
135.11674	27.6
137.05920	2.0
137.09590	2.1
137.13255	2.2
142.07785	2.5
143.08554	4.4
145.06401	1.5
145.10115	16.3
147.08038	3.1
147.11655	13.4
149.06140	0.9
149.09627	3.9
149.13194	7.0
151.07552	3.8
151.11183	1.7
152.08324	2.5
153.09163	1.4
155.08517	2.2
156.09343	1.4
157.10115	11.2
158.10927	1.1
159.08060	5.7
159.11673	14.5
161.09602	4.3
161.13258	10.3
163.07510	1.4
163.11156	4.6
163.14793	5.2
165.09059	4.8
165.12720	1.1
167.08505	0.9
169.10147	3.2
170.10861	1.2
171.11691	7.2
173.09602	20.3
173.13226	9.1
175.11172	5.9
175.14771	5.1
177.09128	3.3
177.12772	1.1
177.16368	2.4
178.63295	0.9
179.08612	1.0
179.10617	2.7
179.32161	0.9
181.10117	1.0
183.11674	3.2
185.09583	1.9
185.13211	7.3
187.11183	2.8
187.14775	6.0
189.12747	2.0
189.16324	6.3
191.10669	3.6
191.17873	5.5
193.12201	2.4
195.11691	1.8
196.12598	1.0
197.13248	4.3
199.11217	2.7
199.14882	3.0
201.12648	6.4
201.16414	3.7
203.17976	4.8
203.94749	0.9
205.12305	1.4
207.11749	1.7
211.14764	2.5
213.12646	4.5
213.16270	1.9
215.14325	4.8
215.17924	1.7
217.19473	1.6
219.13789	2.6
225.12662	1.9
225.33113	1.0
227.14294	2.0
227.17958	1.5
229.19495	1.1
231.13763	1.2
233.15445	2.3
239.17957	1.2
241.15884	1.1
245.15526	1.6
247.16933	1.3
251.14311	1.0
255.21127	1.4
259.16867	1.1
267.21014	1.2
269.22433	1.2
303.23175	1.1
313.21606	1.9
315.23328	2.0
369.27917	2.5
437.33987	1.1
453.33771	8.4
455.35199	1.6
465.33890	1.1
467.35217	13.4
470.72806	0.9
479.35110	1.7
489.33578	1.2
491.35239	1.3
493.34048	1.0
505.36774	2.0
507.34637	17.1
519.38525	2.5
523.37628	3.7
529.36816	4.2
537.39502	3.0
547.37775	59.4
548.37756	1.1
565.38812	100.0
566.39172	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	565.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01864	1.2
55.05502	10.2
56.33862	1.0
57.07055	2.3
63.83519	1.0
64.32386	0.9
65.03925	1.6
67.05485	13.2
69.03409	2.5
69.07062	8.3
69.90153	6.9
71.04975	9.4
79.05476	11.6
81.03411	2.6
81.07039	20.9
83.04965	10.9
83.08597	4.7
85.02854	1.0
85.06515	2.1
91.05462	14.0
93.07024	22.2
93.07566	1.4
95.04944	11.3
95.08587	31.2
95.09190	2.0
97.02866	1.2
97.06503	4.0
97.10160	2.3
97.98700	0.9
99.04435	20.9
99.05050	1.6
103.05453	1.3
105.07004	23.7
107.04938	2.3
107.07871	0.8
107.08569	36.6
109.06498	9.0
109.10138	23.1
111.04420	63.6
111.08076	2.5
111.11696	1.1
117.06973	4.9
119.08559	30.6
121.06526	3.1
121.10121	30.7
123.08053	18.3
123.08881	1.5
123.11664	11.8
125.09563	1.1
128.06161	1.5
129.07039	2.4
130.07797	1.4
131.08549	10.5
133.10101	25.2
135.08044	10.8
135.11667	27.4
137.05934	4.5
137.09608	2.6
137.13243	3.7
139.11215	0.9
142.07761	1.9
143.08481	5.7
145.10101	15.2
147.08023	2.8
147.11650	13.1
149.09625	3.9
149.13205	7.5
149.19608	1.1
151.07520	4.6
151.11205	1.8
152.08321	3.9
153.09090	1.4
155.08540	3.5
156.09334	1.4
157.10077	8.9
158.10890	1.2
159.08054	4.9
159.11678	12.7
160.08754	1.1
161.09592	6.8
161.13225	8.1
163.07506	1.6
163.11096	5.6
163.14801	5.4
165.09093	4.7
167.08519	1.3
169.06337	1.0
169.10118	3.1
171.11668	8.1
173.09581	21.8
173.13252	8.2
175.11151	6.7
175.14841	4.2
177.05478	0.9
177.09114	4.2
177.12730	1.5
177.16386	2.9
178.09808	1.3
179.10646	3.4
179.14296	1.7
181.10133	1.5
183.11725	4.6
185.09641	1.5
185.13200	6.1
187.11224	3.7
187.14783	7.4
189.09091	1.4
189.12740	2.1
189.16338	6.5
191.10663	2.2
191.14157	1.5
191.17906	5.2
193.10236	1.2
193.12236	1.3
194.51474	0.9
195.11658	2.3
197.13292	3.8
199.11259	1.7
199.14815	5.3
201.12715	8.0
201.16411	3.1
203.10674	2.1
203.17932	6.7
205.12181	1.2
209.13257	1.5
211.14815	2.8
213.12724	4.6
213.16431	4.1
215.14288	4.6
215.17912	3.0
217.12213	1.7
217.19522	2.0
219.13768	1.4
223.14804	1.4
225.12802	1.5
225.16393	1.4
227.14253	2.7
227.17880	1.3
229.12193	1.4
229.19427	1.3
231.13840	2.0
233.15356	1.8
243.21092	1.3
253.19475	2.0
255.21072	1.5
259.16776	1.5
267.21140	1.1
285.21930	1.1
313.21695	2.8
315.23196	2.0
369.27600	2.3
449.33606	1.1
453.33606	8.6
454.34268	1.4
455.35611	1.4
465.33701	1.6
467.35269	11.8
483.35831	1.3
489.33325	2.3
505.37061	2.2
507.34644	15.6
519.38098	2.3
523.37939	4.4
529.36731	5.9
537.39563	1.2
547.37720	55.3
565.38794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71696	1.1
53.03940	2.0
55.05500	9.1
57.03428	2.7
57.07058	3.4
57.42502	1.1
65.03941	2.5
67.05493	15.7
69.03419	3.6
69.07052	10.0
69.49995	1.2
69.50312	12.5
71.04975	8.5
79.05487	15.0
80.05823	1.4
81.03424	2.7
81.07040	27.3
83.04960	8.5
83.08617	4.8
85.06513	2.2
91.05469	18.3
93.07027	27.8
95.04960	8.9
95.08590	32.8
97.02887	2.8
97.06525	3.6
97.10163	3.6
99.04433	21.5
103.05470	2.0
105.07017	23.2
105.07710	1.5
105.26856	1.0
106.82406	1.1
107.04950	2.3
107.08577	38.7
108.08916	1.4
109.06497	8.1
109.10137	24.9
111.04427	72.1
111.08079	4.5
115.05442	1.5
117.06988	5.6
119.08552	27.9
121.06514	3.2
121.10126	32.6
123.08053	22.7
123.11692	13.3
125.06035	2.0
125.09597	2.0
128.06168	1.5
129.07022	2.2
131.08553	11.0
133.06442	2.4
133.10103	28.3
135.08028	10.4
135.11681	28.3
137.05980	2.6
137.09608	4.5
137.13223	3.3
139.07516	1.3
139.11140	2.1
142.07770	2.3
143.08533	6.9
144.09358	2.5
145.06467	1.9
145.10115	13.5
147.08055	3.7
147.11661	15.1
149.05939	1.4
149.09631	5.2
149.13260	6.8
151.07516	3.6
152.08324	2.5
153.09105	2.1
153.12753	1.5
155.08505	2.7
157.10101	10.4
158.10944	1.2
159.08047	7.0
159.11667	13.8
160.08815	1.9
160.12117	1.3
161.09601	5.5
161.13231	9.4
163.07584	1.9
163.11171	5.1
163.14825	3.5
165.09117	5.2
165.12801	1.5
169.10110	3.7
171.11678	8.0
173.09589	21.8
173.13246	10.1
175.11160	6.6
175.14832	4.9
177.09225	2.6
177.12729	2.7
177.16351	2.1
179.10716	2.6
179.14226	2.6
181.10141	1.8
183.11748	3.7
185.09625	1.8
185.13229	6.1
187.11182	4.5
187.14738	6.6
189.09064	1.8
189.16374	7.5
191.10544	2.3
191.17917	5.7
193.12202	2.3
195.11691	2.7
197.13284	4.1
199.11142	3.2
199.14851	3.9
201.12679	9.1
201.16451	4.2
203.14314	2.0
203.17982	4.2
209.13242	2.0
211.14847	2.4
213.12770	3.3
213.16412	2.9
215.14308	5.7
219.13869	1.7
227.14313	3.6
227.18018	1.8
229.19540	1.4
233.15375	2.6
239.14241	1.6
245.15346	1.4
247.16786	1.5
253.19623	1.8
255.15808	1.9
256.16266	2.9
269.17514	5.2
270.17801	7.0
275.20001	1.4
276.20544	2.0
303.23364	1.3
313.21701	1.7
315.23135	3.1
350.24002	5.2
351.53891	1.0
369.27847	3.6
453.33536	9.3
467.35379	13.8
505.36661	2.1
507.34521	17.3
519.38397	2.1
523.37982	2.5
529.36810	4.5
547.37750	62.2
548.37042	1.3
565.38824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88726	0.9
53.03932	2.0
54.09427	0.9
55.01858	2.2
55.05502	8.9
57.03431	0.9
57.07050	1.8
61.12821	0.8
61.26834	1.0
65.03928	1.3
67.05500	9.2
69.03408	3.3
69.07067	8.3
71.04988	7.9
79.05475	10.4
81.03379	1.1
81.07041	20.3
81.76514	0.9
83.04974	9.9
83.08611	3.7
90.16167	0.9
91.05467	12.9
93.07033	24.6
95.04951	11.0
95.08593	29.5
97.02883	1.5
97.06506	3.5
97.10178	2.3
99.04442	20.9
103.05452	1.5
105.07011	22.4
107.08576	33.0
109.06495	6.1
109.10136	21.2
111.04427	66.9
111.08057	2.7
115.23817	0.9
117.06998	4.2
119.08568	28.7
121.06513	3.0
121.10130	28.2
123.04467	1.1
123.08050	17.9
123.11699	11.5
125.05984	1.7
125.09622	1.6
129.06964	2.4
130.07773	1.8
131.08566	9.2
133.10110	25.8
135.08044	9.2
135.11676	24.4
137.05989	2.4
137.09602	2.4
137.13219	2.5
139.07516	1.0
142.07819	1.4
143.08565	6.4
144.09346	0.9
145.06517	1.3
145.10088	15.7
147.08043	4.0
147.11659	14.4
149.06015	1.2
149.09608	4.2
149.13220	6.3
151.07552	2.7
151.69534	1.0
152.08305	3.8
155.08519	2.3
156.09335	1.7
157.08917	1.4
157.10101	7.7
158.10840	1.4
159.08046	6.1
159.11664	12.2
160.08792	1.6
161.09618	4.5
161.13235	8.8
163.07559	1.3
163.11150	4.6
163.14732	5.2
165.09109	4.2
169.10114	2.7
170.10890	1.4
171.11664	5.7
173.09604	20.1
173.13240	9.1
175.11201	5.9
175.14815	4.0
177.09138	4.2
177.12743	1.4
177.16371	3.1
178.09839	1.1
179.10738	1.6
182.10953	1.2
183.11679	2.8
185.13232	5.8
187.11180	3.2
187.14752	6.6
189.12779	1.9
189.16345	5.6
191.10674	2.7
191.17883	4.7
197.13258	3.9
199.11098	2.0
199.14819	3.4
201.12692	6.7
201.16458	3.9
203.10558	1.7
203.17935	5.2
205.12250	1.8
207.11580	1.3
209.13287	2.5
211.14845	1.6
213.12589	4.8
213.16423	3.1
215.14339	3.2
215.17912	2.4
217.12186	2.0
217.19562	1.2
219.13809	1.6
223.11131	1.5
223.14720	2.1
225.12849	1.4
227.14366	1.9
229.19643	1.4
239.14386	1.2
239.18047	1.3
241.19394	1.3
247.17171	1.1
253.15968	1.1
253.19644	1.3
255.21017	1.5
313.21722	1.8
315.23193	1.5
369.27936	3.8
402.34537	1.0
435.32764	2.2
446.56683	1.1
453.33798	8.5
455.35165	2.5
465.33188	1.1
467.35193	12.8
481.37054	1.4
489.33823	2.9
495.34802	1.6
505.36591	2.9
507.34711	14.7
519.38531	2.2
521.36084	1.1
523.38043	4.6
529.36694	5.6
537.38965	1.9
547.31232	1.1
547.37769	60.1
565.38837	100.0
566.39380	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	565.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01868	1.6
55.05501	8.7
57.03414	1.9
57.07060	2.8
61.02909	0.9
65.03927	1.4
67.05499	12.4
69.03430	2.6
69.07055	10.9
70.06577	0.9
71.04982	8.9
71.79667	1.2
79.05480	11.5
81.03404	2.5
81.07044	23.0
83.04965	10.8
83.08581	5.2
85.02891	3.2
85.06541	1.4
86.09721	0.9
91.05466	16.7
91.06030	1.4
93.07034	27.5
95.01360	1.2
95.04959	12.2
95.08591	32.1
97.02880	2.7
97.06499	4.7
97.10173	1.9
99.04439	23.6
104.07053	0.9
105.07006	22.0
107.04933	2.5
107.08575	34.0
109.02917	1.2
109.06499	8.5
109.10149	22.5
111.04425	68.0
111.08081	2.5
117.03374	1.1
117.06996	5.3
119.04913	2.0
119.08562	30.9
121.06472	4.5
121.10126	30.4
123.04371	1.4
123.08047	20.7
123.11694	11.4
125.05988	1.0
125.09658	1.8
128.06235	0.9
129.06984	2.3
130.07761	1.4
130.08672	1.4
131.08543	9.8
133.06435	1.9
133.10109	27.7
135.04393	2.1
135.08058	10.6
135.11673	26.4
137.05963	5.4
137.09607	3.7
137.13235	3.9
139.07504	1.0
139.11224	1.0
141.06937	1.4
142.07765	1.7
143.08548	7.6
144.09306	1.2
145.02859	1.2
145.06447	2.3
145.10094	14.1
147.08093	2.7
147.11653	13.7
149.05992	1.5
149.09581	4.5
149.13228	6.9
151.07550	3.4
151.11140	1.7
152.08310	4.3
153.09091	1.7
155.08560	3.4
156.09322	1.5
157.06558	0.8
157.10114	9.4
158.10867	0.9
159.08041	7.7
159.11664	11.7
160.08838	1.6
161.05983	2.0
161.09593	5.3
161.13240	10.0
162.02199	1.0
163.03888	2.2
163.07518	1.9
163.11143	5.7
163.14856	3.5
165.09084	6.0
167.07133	2.2
167.08498	1.1
169.10138	3.9
170.10858	1.2
171.08089	1.4
171.11674	8.3
173.09601	22.0
173.13191	10.1
175.07545	1.9
175.11191	6.9
175.14769	5.1
177.05441	3.4
177.09123	3.3
177.12891	1.0
177.16357	2.4
179.10687	1.6
181.10165	1.5
183.11691	4.0
185.09610	2.0
185.13217	5.7
187.11189	3.7
187.14803	5.8
189.12778	2.7
189.16374	5.0
191.10712	3.1
191.17906	6.0
193.10280	1.0
193.12216	2.4
195.11717	2.1
197.13264	3.5
199.11162	2.9
199.14758	4.4
200.12070	0.9
201.12686	6.6
201.16444	3.5
203.17999	5.7
205.12355	1.4
207.06525	1.1
207.11803	1.0
209.13248	1.9
211.14873	2.7
213.12724	4.1
213.16408	3.9
215.14227	5.5
215.17969	1.7
217.12303	2.6
217.19525	2.0
219.13710	2.1
221.13232	1.0
225.12717	1.7
225.16417	2.2
227.14314	3.1
229.19492	1.2
231.13707	1.8
233.13293	1.2
233.15465	2.4
237.12807	1.1
239.14236	1.2
239.17940	1.1
241.12474	1.0
245.15445	1.7
253.19598	1.1
255.21138	1.0
257.15558	1.1
259.09650	2.3
259.16934	1.0
267.21097	1.2
311.23749	1.3
313.21579	1.7
315.23300	2.9
339.12704	1.0
369.27942	2.9
405.89081	0.9
449.34039	1.1
453.33609	7.2
455.35355	1.7
465.33621	1.3
467.35309	15.4
489.33212	1.4
505.37262	2.4
507.34579	16.9
511.35889	1.3
519.38232	2.7
523.37842	3.9
529.36786	5.0
534.17834	1.0
537.39667	1.4
547.37793	58.9
548.38281	1.4
565.38806	100.0
566.39307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01856	1.8
55.05506	9.6
57.03420	2.6
57.07061	2.3
65.03937	1.7
66.44852	0.8
67.05492	14.3
69.03410	3.3
69.07052	9.1
71.04982	8.6
71.30678	1.3
71.31001	0.9
77.03866	1.1
79.05482	13.2
81.03387	2.3
81.07043	23.3
83.04959	10.0
83.08613	4.7
85.02855	1.4
85.06525	1.7
91.05457	15.1
93.07028	28.1
95.04955	13.0
95.08589	30.9
95.32393	0.9
97.02876	1.4
97.06535	3.1
97.10160	2.5
99.03793	1.3
99.04436	24.0
103.05512	1.1
105.07008	23.6
107.04933	1.3
107.08576	38.2
109.06483	6.9
109.10146	22.8
111.04424	72.0
111.08092	2.6
115.05417	1.8
117.06980	4.2
119.04953	0.9
119.08565	33.3
121.06491	3.8
121.10125	32.0
123.08043	24.3
123.11697	12.7
125.06009	1.5
125.09632	1.5
128.06177	1.7
129.06984	2.2
131.08549	10.7
133.06409	0.9
133.10110	26.0
135.08040	8.2
135.11667	27.8
137.05992	2.9
137.09608	2.2
137.13263	2.3
137.38531	1.0
139.11188	1.1
142.07774	2.0
143.08536	5.9
144.09355	1.2
145.06453	2.0
145.10089	13.3
147.08028	3.3
147.11668	13.4
148.50587	0.8
149.05956	1.0
149.09645	3.3
149.13223	8.5
151.07541	3.0
151.11162	1.7
152.08284	4.3
153.09039	2.1
153.12645	0.8
155.08565	2.2
156.09409	1.4
157.10094	9.3
158.10922	1.0
159.08072	6.0
159.11671	13.8
160.08868	2.1
161.09576	6.3
161.13234	10.4
163.07494	1.0
163.11148	5.3
163.14751	5.1
165.09126	5.9
169.10147	2.9
171.08072	1.4
171.11653	9.0
173.09601	22.3
173.13191	7.9
175.11163	6.8
175.14792	4.9
177.09091	3.0
177.12704	1.8
177.16394	3.2
179.10637	2.7
179.14156	0.8
181.10100	2.0
183.11673	5.0
185.09654	2.4
185.13219	6.2
187.11168	3.5
187.14775	7.3
189.09071	1.8
189.12706	2.1
189.16324	7.4
191.10669	1.5
191.14278	1.1
191.17896	5.9
193.12279	1.8
195.11691	2.0
196.12607	1.1
197.13283	3.6
199.11145	3.0
199.14810	3.9
201.12799	7.1
201.16299	4.5
203.10608	2.1
203.17879	4.4
205.12187	1.7
207.11588	1.1
209.13287	1.8
211.11226	1.7
211.14848	2.6
213.12737	5.4
213.16428	2.5
215.14311	4.4
215.17986	3.2
217.12210	1.8
217.19547	1.6
219.13782	2.5
221.13213	1.5
223.14825	1.5
225.12791	1.6
225.16313	1.9
227.14308	3.5
227.17908	1.5
229.16188	1.2
229.19449	1.8
231.13739	1.4
233.15431	2.2
239.14267	1.5
239.17972	1.9
243.13762	1.1
251.17833	0.9
253.15871	1.0
253.19528	1.8
255.17548	1.0
255.21118	2.1
259.17108	1.0
267.20883	0.9
273.14883	1.0
297.18539	1.4
297.21875	1.0
301.14499	0.9
313.21631	1.8
315.23291	2.0
327.23190	1.1
350.23880	1.4
369.27908	3.8
395.29443	1.1
437.34082	2.0
449.34354	1.1
453.33521	8.5
455.35257	1.9
465.33630	1.4
467.35205	11.6
479.34814	0.9
481.37112	1.3
489.33578	1.9
493.34338	0.9
505.36542	2.5
507.34528	15.1
509.35818	0.9
523.38025	4.6
529.36542	5.2
537.39490	1.8
547.28992	1.7
547.37726	54.6
565.38806	100.0
566.39246	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	565.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20765	0.8
53.03939	2.7
55.01838	1.3
55.05501	9.5
57.03428	1.3
57.07048	2.1
65.03925	2.5
67.05492	11.5
68.73361	0.8
69.03413	2.1
69.07051	8.5
71.04978	8.5
71.31050	1.4
71.31391	1.4
79.05473	10.8
81.03377	1.6
81.06594	1.7
81.07041	24.9
83.04969	12.2
83.08604	3.0
85.06496	1.3
88.79472	0.8
91.05463	15.5
93.07026	26.3
95.04943	13.7
95.08589	31.2
97.02870	1.4
97.06522	2.5
97.10143	2.2
99.04440	21.6
99.05048	1.8
103.05406	1.1
105.07012	25.3
107.04979	1.1
107.08574	33.5
109.06493	8.0
109.10135	21.5
111.04423	70.7
111.08060	3.1
111.83026	0.8
117.06997	4.4
119.08558	30.5
121.06496	4.1
121.09235	1.5
121.10122	28.0
121.85875	0.9
123.04452	1.1
123.08049	18.3
123.11686	14.8
125.05961	1.4
125.09612	2.2
129.06985	2.7
131.08549	9.5
133.06479	1.3
133.10112	26.7
135.08025	7.2
135.11670	28.3
137.05978	3.4
137.09613	3.8
137.13271	2.3
139.07524	1.4
139.11163	1.0
142.07811	2.4
143.08502	6.1
144.09351	1.1
145.06502	1.8
145.10097	16.7
147.08003	3.0
147.11646	14.6
149.09595	4.0
149.13243	7.6
151.07544	3.7
151.11127	1.3
152.08307	4.7
153.09064	1.3
155.08577	2.3
156.09331	1.6
157.10110	8.9
159.08038	6.7
159.11661	12.6
160.08885	1.2
161.09669	5.2
161.13251	9.8
163.11110	5.0
163.14845	4.4
165.09106	6.1
169.10138	3.2
170.10944	1.1
171.08136	1.2
171.11665	7.2
173.09598	21.8
173.13200	8.0
175.11180	6.2
175.14816	3.7
177.09096	5.6
177.16412	2.3
179.10703	2.1
179.14326	0.9
181.10054	1.3
183.11679	3.4
185.09558	1.6
185.13239	6.3
187.11195	3.0
187.14769	6.3
189.12769	1.4
189.16338	7.3
189.73224	0.8
191.10698	2.6
191.14351	1.0
191.17856	5.1
193.10173	1.0
193.12210	1.0
197.09566	1.5
197.13252	3.0
199.11179	2.2
199.14822	4.5
201.12744	6.6
201.16371	3.7
203.10672	1.1
203.17937	5.8
205.12242	1.8
209.13260	1.8
211.11255	1.5
211.14865	2.9
213.12680	4.4
213.16238	2.1
215.14249	4.8
215.17900	2.3
217.12186	2.1
217.19437	1.4
219.13803	2.6
223.14848	1.4
225.12825	1.7
225.16327	1.9
227.14264	3.0
227.17984	2.2
229.19481	1.9
231.13802	1.4
233.15350	1.7
237.16437	1.0
239.18065	1.4
241.15947	1.2
241.82048	1.0
243.13788	1.2
245.15425	1.6
247.20477	1.2
253.19514	1.3
255.21152	1.3
313.21591	1.9
315.23227	1.7
369.27808	3.7
435.32294	1.4
449.34515	1.2
453.33499	7.2
455.35120	2.8
465.33572	1.1
467.35315	11.8
479.35385	2.1
489.33820	1.3
491.35019	1.0
503.35355	1.0
505.36792	3.6
507.34695	16.0
509.36905	1.0
511.35699	1.5
519.38239	2.8
523.37793	5.5
529.36798	6.3
537.39294	3.9
547.37756	57.9
548.38147	2.0
565.38794	100.0
566.39221	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	565.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70956	0.4
62.99556	0.3
63.02858	0.3
69.92786	2.0
70.06577	0.4
74.02427	0.8
79.54214	0.3
79.76476	0.3
85.02902	0.6
91.05476	1.1
105.96995	0.4
115.05443	1.1
117.05740	0.4
117.07015	0.8
118.06526	15.6
118.07399	0.8
124.03933	0.4
130.06517	1.1
132.08076	4.9
139.03851	0.4
142.06503	1.9
143.07277	2.4
144.08067	10.5
146.05984	56.3
147.06372	1.1
159.09164	5.7
160.07555	1.0
167.06990	0.6
170.06007	3.4
188.07043	100.0
189.07396	1.8
205.09702	41.3
206.10080	0.6
313.47000	0.4
327.62628	0.4
454.09940	0.4
542.99854	0.4
577.98022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05503	2.7
58.02953	0.4
69.03416	0.7
70.06577	0.5
71.04974	0.4
71.19052	0.7
81.03400	1.1
81.07059	0.4
82.06590	0.3
83.04940	0.4
84.08120	2.2
85.02891	1.2
91.05470	1.4
91.44181	0.3
97.02882	0.5
97.06533	0.7
98.06051	0.3
99.04435	0.5
105.07038	0.5
109.02884	0.8
110.06007	0.6
111.52370	0.3
112.07588	6.1
114.12791	0.5
115.05424	1.0
117.03341	0.3
117.05762	0.3
117.06995	1.1
118.06519	18.3
123.04382	0.3
127.03896	0.9
130.08615	100.0
131.08940	0.9
132.08040	0.7
137.05974	0.6
139.03938	0.5
142.06529	1.4
143.07281	2.1
144.04430	0.5
144.08060	9.0
145.02820	0.8
145.06459	0.5
146.05978	41.2
147.04410	0.4
147.06306	0.4
151.03859	0.9
153.09024	0.3
155.06119	0.3
156.08043	0.6
160.07549	1.4
161.05968	0.4
161.45827	0.3
163.03870	1.2
167.07050	1.2
170.05980	5.9
172.09665	0.4
177.05435	1.2
183.68346	0.4
184.07610	0.4
188.07033	46.8
189.07362	1.1
193.08612	0.3
207.06480	0.5
212.07097	0.4
219.10130	0.8
230.08051	2.5
247.87227	0.3
256.06027	1.7
292.13733	2.1
360.12927	1.6
366.02017	0.3
378.13885	12.2
378.18768	0.6
387.14508	0.7
400.10031	0.8
418.11053	0.4
508.59662	0.3
565.19751	1.9
565.27734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01858	2.1
55.05505	13.6
57.03432	12.3
57.07064	4.6
65.03928	2.9
67.05495	64.1
68.22604	1.1
69.07059	20.1
71.04989	4.8
73.30213	1.0
79.05482	42.9
81.03448	1.2
81.07043	75.3
83.04977	4.7
83.08608	11.9
85.06528	2.9
91.05462	23.9
93.07030	62.1
95.04943	4.7
95.08592	35.7
95.09190	2.2
97.06531	7.7
97.10130	1.8
99.08084	2.4
105.07005	14.2
107.08577	30.8
109.06529	3.2
109.10137	9.0
111.08093	5.2
112.89610	1.2
113.06015	1.1
117.07002	8.1
119.08553	10.3
121.06467	2.7
121.10135	24.3
123.08082	1.5
123.11772	5.1
125.09573	1.3
131.08557	12.0
133.06480	2.3
133.10120	11.1
135.08034	1.1
135.11676	10.5
137.09555	2.4
139.11172	2.0
145.10106	3.5
147.11670	5.8
149.09624	0.9
149.13234	24.2
151.11145	1.3
159.11668	12.5
161.13237	2.3
163.14822	1.8
165.12720	1.3
173.13220	2.9
175.11201	4.9
175.14815	1.3
177.12729	19.5
187.14827	1.3
195.13786	10.8
207.13843	1.9
213.14725	1.3
219.13762	10.4
230.00450	1.4
241.12143	1.9
243.21220	2.5
246.75139	1.0
261.22092	10.7
267.15875	1.6
269.17438	69.4
270.17776	2.3
271.13364	1.2
316.15369	1.1
317.24741	2.9
327.19382	4.8
335.25760	69.4
336.26303	2.0
437.34061	1.3
455.35297	1.4
529.38818	100.0
530.39050	4.5
547.39404	1.3
564.26447	1.5
564.59784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1545
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03931	0.7
55.01869	2.5
55.05501	2.2
57.03428	8.3
59.04980	1.0
61.02920	6.9
67.05495	0.5
68.99776	0.4
69.03421	12.4
70.06564	0.4
70.34436	1.7
71.01341	3.1
71.04982	18.3
73.02906	50.9
74.11337	0.4
75.04458	1.5
81.03412	2.3
83.04965	13.5
85.02892	36.1
87.04450	1.6
95.04942	0.6
97.02876	10.4
97.61021	0.4
99.04436	1.7
103.03922	1.1
107.04938	1.4
109.02842	1.1
111.00782	0.6
111.04426	9.1
113.06023	0.4
115.03912	13.3
116.88119	0.4
117.03391	1.0
121.02836	5.2
126.59777	0.4
127.03896	1.5
129.05461	12.7
131.04912	0.4
133.02806	0.7
133.04955	9.3
135.04417	0.6
136.07594	0.5
137.02295	0.8
137.05959	0.7
139.03883	1.6
145.02739	2.0
147.04573	0.7
147.06508	8.5
151.03842	1.0
153.01801	3.5
153.05406	0.5
157.04991	0.4
161.06061	0.7
163.03894	1.0
165.01830	1.8
165.05444	0.5
169.04955	0.8
171.06490	0.8
177.05482	3.5
183.02890	0.9
183.06465	0.9
185.05919	0.5
189.05470	0.4
195.06514	0.6
207.06531	0.5
213.05400	1.1
213.07396	0.5
225.07579	3.4
229.05003	0.6
241.04936	0.6
243.08643	1.5
245.04337	0.6
258.05255	0.8
260.16907	0.4
261.09647	1.7
283.06052	1.6
283.09256	0.5
285.03827	0.6
286.04605	0.8
287.05457	100.0
288.05847	3.3
297.07434	0.4
299.05460	6.8
300.06128	1.3
302.04199	1.0
311.05411	2.5
313.06784	0.6
317.06528	8.1
325.07028	2.5
329.02548	1.0
329.06509	19.8
337.07095	0.7
351.08682	1.2
353.06512	5.3
379.08075	4.1
393.53915	0.5
397.09106	9.9
415.10251	5.3
433.11270	11.6
434.11349	0.9
461.10126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01867	9.6
55.05501	20.7
57.03424	15.1
57.07058	2.3
61.02905	6.6
67.05493	61.2
69.03066	1.8
69.03413	10.6
69.06729	2.6
69.07061	30.9
69.45074	20.4
71.04968	5.8
73.02897	2.1
75.76140	1.7
79.05483	45.7
80.52102	1.7
81.03405	15.4
81.07043	75.0
83.04960	14.3
83.08583	13.3
85.02866	13.1
85.06533	4.9
91.03944	2.9
91.05460	35.9
92.03465	1.6
93.07029	63.4
95.04944	12.9
95.08587	35.0
97.02855	9.0
97.06042	1.6
97.06525	20.5
97.10149	9.8
98.21392	3.7
99.04453	4.0
99.08080	4.3
99.89464	2.1
103.03960	2.4
105.07003	33.3
107.04929	6.8
107.08576	38.1
109.02881	2.4
109.06476	7.1
109.10142	13.8
111.04404	2.4
111.08057	6.8
117.06997	16.4
119.08572	19.9
120.81821	1.8
121.06483	4.3
121.10125	21.5
123.08031	5.2
123.11674	5.2
125.09583	7.4
127.03832	4.7
128.06189	2.4
129.06966	4.7
130.07770	1.9
131.08546	23.8
133.06444	1.9
133.10109	23.4
135.07996	3.8
135.11667	25.2
137.09561	3.7
137.13109	1.8
139.07550	2.1
143.08537	3.3
145.10120	18.4
147.11664	11.8
149.09599	13.5
149.13251	14.8
157.10068	6.1
159.07971	2.2
159.11681	31.7
161.09589	2.8
161.13228	8.2
163.11163	9.8
169.10100	3.4
171.10199	3.0
171.11696	5.0
173.04425	3.8
173.13211	11.4
177.12689	21.2
179.14308	11.1
181.12189	3.6
183.11668	5.2
185.13208	2.5
187.11102	2.5
187.14722	2.8
189.11195	2.9
189.12703	2.6
191.14207	2.9
193.12177	2.5
195.13760	10.0
199.14912	2.6
202.09413	1.9
227.12680	8.4
229.14201	2.6
229.19363	2.4
233.15312	3.9
239.17870	5.5
247.20580	3.9
251.16541	3.2
255.15860	45.3
257.18997	12.2
267.16022	2.7
269.17432	100.0
270.17709	3.3
273.13202	2.3
273.16840	1.9
275.20010	43.8
293.21008	4.2
309.20569	4.9
339.18246	2.8
349.23712	84.7
350.23889	4.2
367.24658	17.1
389.18008	2.1
413.21320	2.0
423.28497	2.2
429.34488	1.9
441.29813	2.4
451.28082	3.6
483.31351	1.9
560.11926	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	564.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25673	2.2
53.03926	5.2
55.01860	9.3
55.05498	21.3
57.03429	18.0
57.07073	2.9
57.07553	2.0
61.02902	8.9
65.03931	4.4
67.05493	63.5
69.03432	13.0
69.07060	38.1
70.38952	7.4
71.04978	8.0
73.02888	4.2
79.05476	46.2
81.03398	14.3
81.07043	93.5
83.04974	15.7
83.08610	14.4
85.02884	23.5
85.06525	6.1
91.03925	4.2
91.05466	36.3
93.07032	68.0
95.04935	15.8
95.08585	40.9
97.02876	10.9
97.06508	21.7
97.10146	9.7
99.04446	4.8
99.08073	4.9
102.21317	2.3
103.03982	3.2
105.07015	34.3
107.04946	13.7
107.05539	2.1
107.07894	3.4
107.08580	48.3
107.09296	2.8
109.02834	2.6
109.06503	6.9
109.10141	20.5
109.59002	2.3
111.04414	3.7
111.08024	4.8
115.05466	3.4
115.47155	2.0
117.06989	14.9
119.08571	27.0
120.08857	2.6
121.06471	6.5
121.10112	35.2
123.08046	6.8
123.11716	16.6
123.19444	2.1
125.09606	5.4
125.86584	2.1
127.03897	8.6
129.05466	2.2
129.06967	4.5
131.08528	21.3
133.10115	22.9
135.08052	7.1
135.11667	32.6
137.09573	4.5
143.08568	4.5
145.04976	11.7
145.10109	19.1
147.07956	2.4
147.11684	12.3
149.09628	15.3
149.13229	55.6
155.08531	3.6
157.10091	4.2
159.11642	24.0
161.13235	6.8
163.05969	6.2
163.11111	10.5
171.11688	2.8
173.11800	2.2
173.13257	6.6
175.11090	2.8
177.05434	2.6
177.12727	24.3
179.14291	10.3
181.12181	2.8
183.11597	3.7
187.14819	3.3
195.13771	9.6
205.19478	29.5
206.41800	2.0
218.33098	2.1
227.12712	4.6
229.14352	4.0
229.19514	3.4
239.17944	5.7
247.20456	2.9
251.16478	5.9
255.15857	52.4
256.16129	2.4
257.18930	10.6
267.15823	3.0
269.17435	100.0
275.20029	32.1
293.20996	4.2
325.11194	4.1
331.22592	2.2
349.23679	78.2
350.23874	3.2
367.24704	25.4
389.17969	2.7
417.21149	3.0
511.28699	3.5
571.86932	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	562.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01854	3.2
55.05500	11.2
57.03426	16.1
59.95955	1.1
61.47335	1.3
67.05495	15.4
69.03410	2.5
69.07053	4.2
71.04972	4.3
79.05476	17.7
81.03403	82.9
81.07037	20.2
83.04963	12.6
83.08605	21.3
85.02895	14.8
91.05462	22.5
93.07027	15.5
95.04952	29.6
95.08586	8.5
97.02861	5.5
97.06510	3.6
97.10130	3.7
98.20705	2.2
99.04458	2.0
105.07005	20.9
107.04945	7.9
107.08564	8.6
109.06490	5.1
109.10120	5.4
111.04429	2.5
111.08058	8.5
117.07000	3.0
119.08560	15.4
119.20281	1.3
121.06476	4.9
121.10105	7.0
123.08045	2.8
123.11663	1.4
125.09607	5.1
129.05502	1.7
129.06992	7.6
131.08553	8.7
133.06476	4.2
133.10149	7.8
133.11087	1.7
135.11694	1.7
141.06956	1.5
142.07741	1.9
143.08508	1.4
145.04887	1.6
145.06511	2.5
145.10109	3.0
147.08002	3.7
147.11684	12.4
149.09578	5.8
157.10089	13.7
163.11200	1.5
165.12689	2.3
175.11154	13.0
193.12233	36.7
193.13983	2.3
211.13261	22.0
223.13211	1.4
229.14265	1.3
231.05055	1.5
249.14897	3.7
255.13866	2.1
263.65121	1.3
267.15875	100.0
268.16180	2.3
273.14859	3.5
285.16956	23.3
303.56787	1.2
349.21509	1.8
365.22986	1.8
367.22659	9.8
385.23560	12.4
386.23337	1.4
403.24615	3.7
405.24054	1.3
415.24756	1.6
433.25778	10.6
441.26218	3.9
459.27353	61.8
460.28528	1.4
477.28439	49.9
478.28760	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	564.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01859	9.9
55.05503	20.0
57.03426	11.3
61.02917	5.4
67.05499	43.9
69.03416	7.8
69.07052	26.5
71.04977	6.4
71.34036	6.1
73.02895	2.4
79.05481	36.7
81.03414	13.5
81.07045	62.6
83.04980	10.1
83.08609	13.3
85.02899	10.2
89.83124	2.2
91.03940	2.8
91.05469	33.5
93.06496	4.1
93.07032	46.6
95.04943	10.4
95.08598	25.5
95.56285	2.3
97.02862	6.9
97.06523	17.1
97.10164	15.2
99.08076	4.1
102.03288	1.9
105.07022	34.5
107.04938	9.6
107.08587	46.2
109.06506	8.5
109.10152	15.5
111.08066	5.8
113.79430	2.7
117.07024	11.9
119.08570	28.8
121.06503	5.8
121.10134	26.0
123.08041	8.0
123.11705	4.7
125.09597	13.7
127.03918	3.0
129.07021	3.3
131.08563	22.7
133.06480	2.9
133.10103	28.9
135.08026	7.2
135.11670	20.2
136.03922	3.3
137.09602	2.9
139.11154	3.3
141.06937	3.3
143.08525	5.0
145.04958	2.7
145.10115	27.9
147.08173	2.4
147.11656	18.3
149.09567	13.0
149.13235	11.7
151.11159	4.9
155.08492	4.8
157.10141	8.8
159.11667	26.5
161.09650	2.5
161.13246	11.7
163.11145	12.0
169.10097	6.2
171.10181	3.3
171.11673	8.5
173.13242	13.4
175.11220	3.0
175.14813	3.9
177.12682	17.7
179.14322	8.1
181.04875	2.4
181.12161	2.7
183.11624	3.4
185.13290	7.3
187.14801	6.2
189.11206	5.5
189.12694	3.3
195.13788	4.2
197.13226	6.2
199.14796	4.7
215.14374	4.4
226.73769	2.5
227.12775	12.3
229.19516	5.1
231.17438	2.3
233.15233	2.9
235.14870	2.7
237.16461	3.2
239.17984	9.8
245.13774	5.0
247.20457	2.4
255.15869	28.7
257.19000	12.8
267.15738	2.5
269.17426	68.1
275.20026	48.3
293.21021	3.8
346.05389	2.3
347.48254	2.5
349.23700	100.0
365.24716	3.6
367.24811	36.9
371.48315	2.6
405.27753	8.5
423.28784	19.4
433.27231	3.4
437.30420	3.1
441.30048	16.3
451.28339	12.2
455.31537	3.7
469.29471	10.2
483.30911	10.5
501.31989	7.2
536.77765	2.2
564.35291	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	564.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
54.40226	1.9
55.01857	7.1
55.05499	17.0
57.03428	17.0
61.02911	6.5
62.95016	1.9
65.03939	2.2
67.05494	52.6
69.03413	8.2
69.07056	24.6
71.04974	5.7
71.79032	2.4
71.79402	2.1
73.02883	3.4
79.05016	2.1
79.05476	40.2
80.44372	1.7
80.53817	1.8
81.03413	14.5
81.07036	66.3
83.04951	10.6
83.08600	11.8
85.02892	15.4
85.06516	4.2
91.03936	3.2
91.05463	32.5
93.07021	53.7
93.07574	3.8
95.04950	8.6
95.08585	24.7
97.02861	7.4
97.06512	18.4
97.10149	7.4
99.04472	2.2
99.08079	3.3
105.04465	1.9
105.07006	26.7
106.10578	1.9
107.04932	6.5
107.08573	38.1
109.06494	4.8
109.10130	14.8
111.08041	4.8
117.06988	13.2
119.08564	20.0
121.06499	4.5
121.10141	24.3
123.08093	3.9
123.11702	6.3
125.09610	4.6
127.03889	4.7
129.06969	4.1
131.08540	17.7
133.10094	21.1
135.08052	4.6
135.11659	21.8
137.09584	2.6
143.08524	4.6
145.04944	6.0
145.10104	17.5
147.11664	8.0
149.09618	12.3
149.13245	25.6
151.11253	2.1
153.51439	2.3
157.10110	3.9
159.11673	21.8
161.09630	2.4
161.13245	5.0
163.06061	3.0
163.11174	8.3
169.10097	2.0
171.10269	1.9
171.11659	3.4
173.11803	3.0
173.13242	7.2
175.11217	2.6
177.12720	23.0
179.14268	6.1
181.12218	2.3
187.11168	2.6
189.11197	2.5
191.14447	2.3
195.13779	9.0
199.13220	2.2
205.19536	14.3
212.51208	1.9
227.12772	4.4
229.14337	3.3
236.43658	2.1
239.17892	2.9
251.16431	3.7
255.15874	45.5
257.18930	11.2
269.17432	100.0
275.20081	26.2
293.21060	2.9
349.23666	65.3
367.24744	23.8
413.21518	2.7
420.84348	2.2
487.72662	2.0
511.28564	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	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03942	4.2
55.01863	4.6
55.05503	21.9
57.03429	5.2
57.07055	2.8
59.04978	1.8
61.02887	0.9
65.03923	4.9
65.17258	0.6
67.05493	86.2
69.03403	3.3
69.07056	19.6
71.01254	2.3
71.04980	49.0
71.08610	2.1
73.06506	0.7
77.03896	1.6
79.05481	63.6
81.03407	6.8
81.07042	100.0
83.04961	11.0
83.08607	12.5
85.06528	5.1
87.04447	0.8
91.05464	60.4
93.07030	63.5
94.07378	0.8
95.04958	12.9
95.08590	34.8
97.06507	9.5
97.10174	3.5
99.08075	3.7
103.05465	1.3
105.04518	1.8
105.07014	35.0
107.04965	2.5
107.08575	36.9
109.06485	4.5
109.10137	15.1
111.08072	4.6
113.06012	0.9
115.05434	1.5
117.06995	11.5
119.08569	16.9
121.06506	2.1
121.10122	23.5
123.08080	2.4
123.11685	17.4
125.09618	3.8
129.06961	3.6
131.08542	17.6
133.10103	31.4
135.08087	1.6
135.11678	15.7
137.09639	1.8
137.13220	0.9
139.11143	1.2
142.07823	0.8
143.08568	2.5
145.10106	10.2
147.08014	1.0
147.11664	9.2
149.09645	2.1
149.13228	12.6
149.14290	1.2
151.11157	14.0
155.08603	1.6
157.10133	2.9
159.11665	12.1
161.09624	0.9
161.13266	5.9
163.11177	1.4
163.14801	0.8
165.12740	1.2
167.14296	1.2
169.10127	1.0
169.12233	1.1
171.11633	2.2
173.13219	4.0
175.11166	1.0
175.14862	1.8
177.12726	5.6
179.14288	3.5
181.10190	0.9
183.11560	0.7
183.11894	0.8
183.13773	15.9
185.13300	1.2
185.85446	0.7
187.13315	2.8
187.14880	2.4
193.12328	0.9
195.13777	6.7
199.14784	1.0
201.14876	1.6
209.15358	1.2
213.14914	1.3
227.12746	2.2
227.16455	2.2
241.19742	0.9
243.20964	1.0
247.66603	0.7
249.14806	0.7
253.17900	1.2
257.17377	1.1
259.20630	0.9
261.22101	3.5
267.15930	4.0
269.17386	4.2
275.20111	3.1
277.21527	4.7
283.15677	1.0
283.19153	2.6
285.17056	4.7
287.23459	0.9
293.21060	2.3
317.24921	1.6
335.25925	2.5
349.23706	0.9
349.27420	1.7
351.25192	1.7
355.75705	0.7
361.27405	3.0
363.25354	2.9
429.78162	0.9
433.31253	0.9
437.33957	1.7
451.32059	1.0
469.33127	1.0
511.37534	1.1
517.38812	30.5
525.35730	1.6
529.38806	14.5
543.36829	11.3
561.41583	89.5
562.42072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.8
53.03932	4.2
55.01864	2.3
55.05503	22.4
56.34143	0.7
57.03428	5.7
57.07060	3.4
59.04980	1.8
61.02899	0.8
65.03936	4.8
67.05493	82.1
69.03413	2.3
69.07056	18.5
70.13632	0.9
70.39469	3.4
71.04978	51.5
71.08633	1.2
79.05480	56.3
81.03420	1.6
81.07041	94.4
83.04966	10.8
83.08603	12.9
85.06538	6.7
88.42879	0.8
91.05463	58.8
92.05807	0.9
93.07027	63.6
95.04955	9.7
95.08591	43.4
97.06507	9.4
97.10159	2.6
99.08083	3.2
105.04547	0.9
105.07015	35.0
107.04967	2.1
107.08574	35.2
109.06501	4.2
109.10137	18.9
111.08057	4.5
113.09595	1.1
117.06988	11.8
119.08562	18.7
119.09391	1.4
121.10118	21.7
121.10950	1.3
123.08059	3.1
123.11678	15.1
125.09607	1.5
129.07010	3.1
131.08546	16.7
133.10107	32.6
135.08076	1.2
135.11668	17.1
137.13252	1.5
141.06990	1.0
143.08604	4.0
144.09369	0.9
145.10112	10.7
147.11655	8.6
149.09596	1.1
149.13232	12.5
151.11154	12.5
155.08545	1.4
157.10146	3.5
159.11670	14.0
161.13217	6.2
163.11177	1.2
163.14825	1.7
169.10114	1.2
169.12233	1.8
171.11665	4.6
173.13219	7.1
175.11281	0.9
175.14798	1.9
177.12717	4.4
177.16298	0.9
179.14333	1.1
181.10245	0.9
183.11914	1.7
183.13754	16.7
183.15210	1.3
185.13284	2.2
187.13284	3.2
187.14879	2.7
195.11935	1.6
195.13828	6.3
197.13290	1.4
199.14850	1.3
201.12865	0.9
201.14769	1.1
213.14833	1.2
225.16391	0.8
227.16437	2.3
243.21049	1.2
250.94952	0.9
253.18051	2.8
257.17395	1.3
259.20599	2.1
261.22031	4.3
269.17520	4.1
271.20578	1.3
275.20093	1.1
283.19196	2.7
285.16776	4.9
287.23636	1.2
289.21588	1.6
293.21194	1.5
317.24716	1.5
335.25986	1.9
349.27573	2.1
361.27481	3.0
363.25150	4.2
396.98187	0.8
437.33685	4.9
437.61404	0.9
455.35205	2.3
485.36066	1.0
511.38040	3.0
517.38837	29.0
518.38831	1.1
529.38824	34.6
543.36957	2.6
561.41473	100.0
562.41541	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	561.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.3
51.02382	1.0
53.03939	5.9
54.81538	1.0
55.01866	3.7
55.05502	25.8
57.03432	5.7
57.07071	3.4
59.04990	1.6
61.02922	0.9
61.72619	0.9
64.10414	0.9
65.03925	5.6
67.05494	88.6
67.34424	0.8
69.03423	4.4
69.07053	24.1
69.07406	1.4
70.23171	4.8
71.04980	44.9
71.08647	1.4
77.03922	0.9
79.05479	58.2
81.03437	2.7
81.07041	100.0
83.04974	11.1
83.08607	14.6
83.09055	1.0
85.06538	7.8
91.05465	63.0
93.07030	65.5
94.07375	1.1
95.04955	12.5
95.08592	50.3
97.06522	9.6
97.10153	5.8
98.21337	1.1
99.08110	3.7
103.05517	1.2
105.04539	1.3
105.07012	41.7
107.04995	2.5
107.08575	41.1
107.09303	1.1
109.06541	5.4
109.10137	20.7
109.10832	1.3
111.04478	1.0
111.08125	4.3
115.05451	1.7
117.06995	14.5
119.08565	23.2
119.09380	1.4
121.06548	1.9
121.10123	25.0
121.10924	1.6
123.08040	4.9
123.11693	16.7
125.09653	4.1
125.95422	0.9
129.07047	4.2
131.08548	20.4
133.10109	35.4
135.08072	2.9
135.11671	18.1
137.09644	1.6
139.11179	1.2
141.07112	1.1
143.08566	6.1
145.10091	13.1
145.11182	0.9
147.08044	1.6
147.11646	10.3
148.47832	0.8
149.09671	3.8
149.13228	12.9
151.11165	13.8
155.08630	2.7
157.10078	6.0
159.11662	14.8
161.09602	1.3
161.13208	8.2
163.11229	3.1
163.14825	2.2
165.12817	1.6
167.14410	1.2
169.10219	3.1
169.12274	1.3
171.11664	5.3
173.09583	1.5
173.13219	8.2
175.11273	1.2
175.14929	2.5
175.58290	1.0
177.12740	4.4
179.14354	3.8
183.11806	3.2
183.13884	14.4
183.15187	1.1
185.13301	3.9
187.11320	1.2
187.13358	3.0
187.14893	3.3
191.14319	1.3
193.12292	1.3
195.11913	2.1
195.13873	6.5
199.14874	2.1
201.16466	1.2
211.14954	1.7
213.14697	1.5
213.16458	1.3
227.12910	3.3
227.16324	1.5
241.19701	1.2
253.14418	3.6
253.18111	3.6
259.20636	3.1
261.22293	3.1
269.17374	5.2
273.18469	1.4
275.20078	5.4
277.21762	3.5
283.15631	1.6
283.19162	2.8
285.17056	4.2
289.21439	1.7
291.19693	3.6
293.21323	1.6
317.24893	2.0
335.25873	4.3
349.23730	2.2
361.27637	2.5
363.25562	2.2
373.27536	1.1
381.27103	1.1
401.03506	1.1
419.33185	2.1
437.34149	4.7
451.31912	1.3
455.35492	1.4
463.30762	1.4
469.33066	1.0
472.51648	1.0
485.36484	1.2
493.37637	1.0
511.38126	3.1
517.38727	25.1
529.38806	40.7
543.36523	15.4
561.41675	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01859	1.7
55.05505	11.9
57.03429	3.8
57.07068	2.7
59.04987	0.6
62.73164	0.4
65.03931	1.0
67.05493	28.2
69.03419	1.1
69.07057	11.0
71.04597	0.9
71.04977	11.9
71.08617	1.8
71.79915	0.9
72.94565	0.4
73.06532	0.6
79.05479	20.3
81.03403	1.4
81.07043	34.6
83.04988	2.6
83.08604	6.9
85.06529	3.2
91.05463	22.8
93.07028	23.8
95.04937	4.0
95.08588	19.0
97.06515	3.9
97.10142	2.2
99.08086	1.6
103.05474	0.6
105.07013	20.6
107.04926	1.2
107.08578	14.0
109.06499	1.6
109.10142	7.3
111.08057	1.5
115.05461	1.1
117.06992	8.4
119.08562	16.4
121.06493	0.7
121.10128	9.0
123.08060	1.2
123.11687	3.5
125.09679	1.0
128.06200	1.2
128.58405	0.5
129.06982	5.4
130.07747	1.0
131.08549	16.4
133.09151	1.0
133.10114	12.6
135.08009	1.2
135.11661	6.4
137.09564	0.9
137.13271	1.4
139.11130	1.0
141.06950	2.3
142.07753	1.3
143.08530	8.2
144.09282	0.8
145.06419	0.6
145.10098	14.3
147.08015	0.5
147.11661	6.0
149.09604	0.7
149.13252	2.7
151.11179	2.4
153.12704	0.7
155.08534	3.1
156.09334	0.5
157.10117	5.6
159.11665	8.0
161.09610	0.7
161.13248	4.4
163.11194	1.9
163.14801	1.2
165.12654	0.6
167.08511	1.3
169.10127	2.8
171.11665	4.5
173.09734	0.7
173.13223	4.3
175.11218	0.6
175.14792	3.8
177.12741	1.2
177.16418	0.8
179.14296	1.2
181.10081	1.8
183.11691	3.1
183.13792	1.3
185.13214	3.6
187.11212	0.5
187.13338	0.8
187.14827	3.8
189.16373	2.1
191.14224	0.6
195.11697	1.5
195.13669	0.6
197.13271	2.8
199.14764	2.5
201.12668	0.7
201.16364	2.0
203.17970	1.1
209.13245	0.7
211.14789	1.7
213.16402	2.3
213.64400	0.4
215.17960	0.7
217.15883	0.6
223.14799	1.2
225.16454	0.8
227.12773	2.2
227.17996	1.4
229.19363	0.7
235.14749	0.7
237.16344	1.0
239.17851	0.8
241.19647	0.7
243.15718	0.8
243.21101	0.9
251.17987	0.7
255.21204	0.5
257.17358	1.1
261.22122	1.3
265.19766	0.6
267.15802	1.1
269.17654	0.5
269.22495	1.0
271.20712	0.8
275.20078	1.4
277.21732	1.1
281.22806	0.5
283.15390	1.3
285.22040	2.5
287.23706	3.3
293.21173	1.5
297.22015	0.6
299.23633	0.7
311.23657	0.7
313.25204	0.7
317.24713	1.1
325.25333	1.3
335.25781	1.8
337.25146	0.6
339.26828	1.2
343.26407	2.2
345.27963	0.5
361.27280	0.7
365.24133	0.7
383.10397	0.5
417.29962	0.6
419.33176	2.3
437.34143	8.5
451.31519	0.9
455.35196	2.4
485.36581	0.6
493.36884	0.7
511.37775	6.9
517.38751	2.0
529.38812	100.0
530.39197	1.7
543.36530	3.3
561.41992	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	561.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
57.03445	0.5
57.05806	0.3
57.07073	0.5
58.06583	0.5
65.45238	0.3
67.05486	1.3
69.03428	0.8
69.07059	10.0
70.06576	1.8
71.00994	0.7
71.01365	0.7
71.04974	0.6
72.04525	0.4
72.08153	0.3
79.05470	0.5
81.03422	0.7
81.07037	0.9
84.08131	9.8
85.02879	1.7
85.08909	0.5
86.09692	100.0
87.09949	0.3
91.05463	1.1
93.07027	1.0
95.04959	1.2
95.08591	0.8
96.08130	0.7
97.02887	0.8
97.06495	0.8
99.04453	0.4
105.07038	0.8
107.08572	0.9
109.02860	0.5
109.10133	0.3
112.07545	1.6
113.10697	0.5
114.09129	0.3
117.06977	0.4
119.04931	1.5
119.08589	0.9
121.06510	0.4
121.10104	1.1
122.16819	0.3
123.04434	0.6
124.07566	0.8
127.03913	0.4
128.10695	11.6
129.06981	0.4
130.08574	0.3
131.04884	0.4
131.08528	0.4
132.08093	0.4
133.06483	0.3
133.10139	0.8
135.11702	0.5
136.07559	1.8
137.05907	0.4
141.10202	0.9
145.06497	0.4
145.10132	0.4
146.05952	0.5
147.04391	1.1
147.07990	0.3
147.11734	0.3
152.14293	0.9
156.10168	2.6
157.10121	0.3
159.11734	0.4
160.07539	1.1
161.09608	0.7
163.03888	0.4
165.05473	0.9
173.09601	0.3
174.12743	0.4
177.09021	0.4
180.13818	1.7
182.08086	1.8
185.09566	0.7
189.05452	0.7
189.09077	8.8
197.16446	2.3
202.12241	11.0
204.18698	0.4
206.08093	0.4
207.06509	0.8
208.13329	1.1
213.09094	1.1
219.14890	0.9
225.15958	5.1
225.80128	0.3
229.13446	0.5
230.11726	0.5
231.10114	9.4
239.17810	0.4
245.04541	0.4
248.12778	11.8
258.11252	0.6
265.15457	5.1
267.17007	13.6
267.67746	0.3
273.04077	0.6
274.04541	0.4
275.13950	1.2
276.12274	0.8
293.14899	2.6
295.16479	7.3
301.03360	0.4
302.04218	0.9
313.03336	0.9
333.14261	0.6
352.25858	2.5
355.08112	0.6
361.21185	8.0
378.23843	3.7
380.25433	3.7
388.22171	0.9
389.20901	1.5
399.10681	6.0
400.11017	0.6
406.23297	20.0
434.22913	0.6
448.24408	3.3
500.31332	0.4
502.29279	0.5
517.33344	0.3
533.33075	1.3
543.31537	0.9
551.75867	0.4
561.32776	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	561.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01452	1.8
55.01867	7.4
57.03429	2.8
65.03933	2.1
69.03423	2.8
71.57595	2.6
71.57923	1.6
73.02903	1.4
78.42595	1.3
79.05464	1.7
81.03417	8.0
83.04942	2.3
85.02892	12.9
91.05473	4.7
93.03398	5.4
95.01343	2.6
95.04956	5.8
95.15040	1.3
97.02876	14.4
97.32791	1.2
103.03928	2.0
103.05439	3.2
105.03378	2.2
105.07006	4.0
107.01254	2.0
107.04935	38.7
109.02840	13.9
110.03702	2.0
111.04414	2.4
115.05477	4.1
117.07011	3.5
119.04923	11.1
121.02843	30.3
121.06468	11.2
123.04408	13.1
127.03934	2.8
128.06233	1.7
129.06982	3.1
130.08604	1.5
131.04877	9.1
133.02885	3.8
133.06465	10.8
135.00783	2.2
135.04401	30.9
137.02357	1.7
139.03835	1.5
141.01846	1.3
141.06937	2.6
145.02762	1.5
145.06459	7.3
147.04387	29.2
147.08029	2.4
149.02342	7.9
149.05963	4.3
151.03882	9.3
153.01906	1.7
155.04884	1.4
157.06490	4.6
159.04395	11.7
159.07954	2.1
161.02353	3.7
161.05952	12.8
163.03877	7.1
165.01801	13.7
169.06441	3.0
171.04355	3.2
173.02307	1.4
173.05949	20.9
175.00281	2.1
175.03896	9.0
175.07521	5.2
177.01811	22.2
177.05405	10.5
181.04930	2.1
183.02859	5.6
183.04318	2.1
185.05971	5.2
187.03864	12.9
187.07558	2.4
189.01794	28.8
189.05402	9.4
191.03368	15.3
195.02846	35.9
197.05974	5.5
199.03883	4.4
201.01810	7.5
201.05431	27.6
203.03358	27.2
203.06967	3.0
205.01320	3.2
205.04901	5.3
207.02844	16.7
209.04333	3.4
213.01732	1.7
213.05441	7.6
215.03374	24.5
215.06895	3.6
217.01295	3.1
217.04875	8.2
219.02843	34.2
221.00861	9.7
221.04369	14.8
223.02385	4.9
225.05518	7.4
227.03383	11.3
229.01472	3.0
229.04927	37.5
231.02852	87.3
231.06535	5.6
233.04425	7.3
235.02260	1.6
235.06129	1.8
237.03816	2.6
239.03401	4.1
241.01274	2.2
241.04945	7.3
243.02853	59.2
243.06447	11.5
245.04362	10.0
247.02312	2.5
247.06073	4.0
249.03885	32.7
253.04857	8.4
255.02826	18.4
255.06567	1.7
257.04428	40.6
259.02335	7.4
259.06110	3.4
261.03903	31.6
267.02872	5.5
267.06378	2.5
269.04449	18.5
271.02426	4.6
271.06003	13.5
273.03888	47.7
275.05444	3.6
279.05029	3.8
281.04465	9.6
283.02411	3.3
283.05905	4.6
285.03906	100.0
285.07199	5.2
287.05450	5.6
289.03357	7.0
291.04965	28.2
293.04562	2.1
295.05936	3.6
297.03922	34.0
297.07535	26.6
299.05392	21.1
301.03210	2.4
301.82874	1.6
303.05054	6.8
307.04312	3.1
309.03479	12.9
309.07285	7.7
311.05453	6.1
313.07080	2.8
315.04913	19.9
321.06729	3.1
323.05457	6.0
327.04926	90.6
329.06308	1.4
339.04883	20.6
339.08432	2.3
341.06479	2.5
345.06006	22.4
351.04974	3.3
351.08627	34.9
357.06055	19.3
363.07031	89.2
369.06003	10.8
375.07104	14.0
381.09741	14.7
387.07028	21.6
391.07959	2.6
393.08801	24.0
405.08267	72.2
409.09070	5.8
411.10727	19.3
417.09604	13.6
423.09158	33.1
427.10165	8.2
429.11804	81.2
430.12076	1.9
435.10782	3.3
441.10257	63.3
447.10681	53.0
459.10706	10.0
465.11707	20.1
471.10376	2.1
477.11621	13.3
483.12796	46.2
484.13367	1.7
489.11880	6.3
495.12823	37.1
507.12784	25.1
513.13855	4.4
525.13873	42.5
543.14929	44.6
561.15735	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	560.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.0
57.03422	7.2
57.07069	25.4
59.04991	2.2
67.05132	3.1
67.05497	56.7
69.07058	12.3
69.75700	13.9
71.04988	20.9
71.08627	20.3
72.33659	1.8
79.05479	6.6
81.07047	29.1
83.04961	2.3
83.08617	8.3
85.06544	3.0
85.10178	11.5
87.04447	2.9
89.05991	1.7
91.05459	12.4
93.07016	13.2
95.08595	33.3
96.08959	2.0
97.10148	3.7
98.20647	2.9
105.07042	5.1
107.08575	11.3
108.08911	2.9
109.10149	48.2
109.65903	1.7
110.10526	2.3
111.08084	2.2
119.08582	10.6
121.10125	5.8
123.11700	5.1
127.91416	1.6
133.10184	2.8
135.11650	7.7
137.09598	5.7
145.10089	5.0
147.11662	2.2
149.13206	2.1
155.10631	2.5
157.10005	2.0
159.11674	2.8
169.12370	1.9
173.11722	6.2
173.13173	2.8
178.40187	1.8
181.12155	2.0
187.13226	2.7
243.16081	1.6
255.15935	3.4
287.18555	23.5
313.27347	24.6
341.27084	2.2
467.37289	100.0
468.37329	4.0
480.73242	1.9
481.38626	3.1
493.38867	2.4
525.41431	42.7
542.47491	1.8
560.48871	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	560.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51419	0.5
53.03929	0.7
55.01856	1.0
57.03440	1.8
58.59538	0.4
60.52095	0.4
61.02901	1.3
67.05470	1.5
69.03419	4.6
70.06552	1.2
71.04970	0.5
71.79737	0.7
72.08134	0.4
73.02898	1.1
81.03409	2.2
84.08117	0.5
85.02895	7.9
85.71692	0.4
86.09686	1.2
87.04440	1.1
88.80045	0.4
93.07065	0.4
95.08542	0.6
97.02886	3.4
99.04430	0.7
107.08476	0.4
109.02869	1.6
114.09132	2.3
115.09410	0.4
126.32259	0.3
127.03896	2.0
130.08598	1.0
134.04619	5.3
135.02953	0.4
144.06531	1.0
145.04897	0.6
147.04440	0.4
150.90511	0.5
152.05673	0.9
158.07063	0.4
160.09599	0.4
165.02287	5.5
167.02568	0.9
167.03798	0.5
175.03816	0.5
175.09752	0.5
177.05409	0.4
179.10742	0.4
181.05394	1.0
182.04945	100.0
184.07538	0.4
185.08185	0.7
190.02922	0.6
194.04939	2.8
200.09242	1.1
205.05437	3.0
216.04724	2.1
219.06961	1.3
220.08447	0.4
221.08597	0.7
224.05971	1.3
231.06964	11.1
248.09639	28.1
266.10678	55.6
267.10928	0.7
269.13507	0.6
270.35626	0.4
314.09277	0.8
362.20770	1.3
379.22522	0.5
380.13934	1.0
392.10538	0.4
398.14926	9.3
428.15955	46.1
429.16193	0.9
482.53674	0.5
560.20148	44.5
561.20050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99800	0.8
53.03938	2.6
55.01866	1.6
55.05507	2.2
57.14132	0.8
59.56139	0.9
64.90797	0.9
65.03935	1.8
67.05482	4.2
69.03426	1.9
70.06595	3.0
71.03782	0.9
71.04125	2.4
71.05006	1.6
72.08142	2.0
79.05502	1.3
81.03407	6.4
82.06576	4.9
83.04977	4.9
84.04494	1.7
84.08147	1.4
85.02901	2.5
86.01554	0.8
86.09704	2.5
91.05470	4.5
93.07052	1.3
94.06560	6.2
95.04956	17.0
96.08121	1.1
97.02873	1.8
97.06521	13.8
99.04456	1.3
103.05483	1.4
103.44881	0.7
105.04568	0.9
105.07027	1.6
107.04934	1.6
107.08624	2.3
108.02088	1.6
109.02876	2.3
109.06599	0.9
111.04451	2.0
111.08082	2.0
112.07619	3.1
114.05579	1.4
114.09162	6.9
115.05415	0.8
119.04922	6.8
120.08137	2.5
121.02915	1.5
121.06505	1.4
122.03651	0.8
123.04400	13.2
125.05990	6.3
127.03918	2.5
127.07540	74.5
128.07092	0.8
130.08623	36.9
131.04951	2.1
135.04396	1.0
137.05975	7.1
140.04681	4.3
145.02882	0.9
147.04399	14.0
147.05420	1.1
148.05107	0.9
149.06049	1.1
151.03893	4.9
151.07492	4.2
153.09131	1.9
154.08611	1.5
155.07008	25.3
161.06012	2.9
162.06781	1.7
163.03905	1.1
163.07501	1.5
164.04317	0.9
167.07027	31.1
172.09691	0.9
174.11163	0.9
175.03900	1.1
177.05449	3.8
178.08719	1.2
179.06998	9.9
181.04988	1.1
181.08565	9.6
181.09869	0.9
183.06509	100.0
190.10832	3.7
195.02966	1.3
207.06485	1.1
229.04883	0.9
231.02901	1.2
233.03868	0.8
243.02963	1.4
253.26024	0.9
255.10234	0.9
273.04120	1.4
285.04037	2.7
287.12756	1.8
299.05408	1.3
299.73712	0.9
313.10599	6.8
327.05042	2.0
334.15231	2.1
345.13443	3.4
352.16171	3.4
363.07526	1.0
405.08542	1.2
429.11816	1.0
441.10229	1.7
447.10992	1.5
483.13074	1.6
542.29242	1.9
543.15155	1.7
560.22974	2.3
560.30853	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	25.3
57.07051	10.4
61.26856	3.5
63.62162	3.2
64.94421	3.7
67.05489	45.5
69.07061	46.6
71.04977	3.4
71.08623	3.5
71.28677	3.6
71.28988	6.8
79.05476	27.7
81.06590	7.1
81.07047	100.0
82.17262	3.6
83.08602	18.6
91.05445	25.9
93.07030	53.5
95.04935	6.3
95.08594	90.5
97.10152	7.2
105.07010	58.0
107.08579	67.6
109.06461	7.0
109.10137	71.0
111.08007	5.1
111.11701	4.6
117.07005	7.9
119.08566	50.8
121.10126	64.7
123.11699	30.1
125.09629	5.8
129.07043	4.4
131.08540	17.8
133.10104	37.3
135.11665	44.0
137.13237	15.7
143.08542	8.8
145.10088	30.2
147.11655	30.9
149.13239	29.5
151.07503	3.7
157.10129	19.1
159.11655	36.4
161.13232	27.0
163.14836	20.0
171.11649	11.8
173.13257	25.7
173.14549	4.1
175.14827	23.0
177.16389	13.3
183.11641	4.9
185.13271	9.1
187.14777	16.7
189.16399	15.8
191.17920	4.6
197.13232	4.5
199.14787	9.9
201.16376	11.9
203.17957	14.0
205.19456	3.8
211.14890	3.7
213.16394	11.7
215.17982	9.0
217.19568	10.5
225.16405	4.9
227.17917	8.1
229.19510	13.4
231.21082	3.9
241.19565	6.6
245.22635	5.8
255.21043	4.0
257.22617	8.9
267.21024	5.3
269.22665	4.3
273.18857	4.1
281.22653	5.8
283.24084	4.6
285.16525	4.0
318.91891	3.8
403.33035	4.6
541.47559	20.5
559.40820	5.9
559.48730	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	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.2
53.03927	4.9
54.03302	1.0
55.01863	2.9
55.05503	21.1
55.43069	1.4
57.03434	11.1
57.07067	3.0
60.57141	1.0
65.03916	2.9
67.05494	76.8
69.03444	1.0
69.07058	16.5
71.04974	2.1
71.24133	1.7
71.24476	2.3
76.72848	1.1
79.05483	79.7
81.03417	7.3
81.07043	70.9
83.04969	11.1
83.08605	10.7
85.06506	3.7
91.05466	57.7
93.07031	85.6
95.04954	20.6
95.08595	48.3
97.06515	4.8
97.10144	4.3
105.07015	42.8
107.04921	4.3
107.08576	31.4
109.06493	6.2
109.10150	13.5
110.64891	1.1
111.08051	2.2
115.05460	1.7
117.06977	9.7
119.08567	27.3
121.06451	2.0
121.10126	15.6
123.08035	6.0
123.11662	5.3
125.09601	1.3
128.06206	2.7
129.06982	11.8
131.08556	11.6
133.10095	15.4
135.11681	10.9
137.09602	1.1
137.13194	1.6
139.07501	1.2
143.08572	8.0
145.10081	13.7
147.08083	1.3
147.10553	2.0
147.11667	30.7
149.13210	5.1
155.08582	1.9
156.09444	1.3
157.10060	1.9
159.11630	6.3
161.09624	2.9
161.13210	11.0
163.14798	1.7
168.12894	1.1
169.10135	2.1
171.11659	24.9
173.13216	4.1
175.14825	2.0
179.14244	1.3
183.11642	1.8
185.13263	1.8
189.12733	10.1
207.13763	26.0
225.14755	1.9
243.21080	2.6
261.22061	9.7
279.15811	3.7
281.17426	42.6
317.24698	3.7
335.25757	67.3
336.26202	1.2
431.32709	1.3
449.34021	2.4
467.35220	1.7
485.36133	1.5
523.37903	2.0
541.38831	100.0
542.38977	4.4
559.39722	11.1
560.35760	1.5
574.87183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01848	4.8
55.05504	26.6
57.03426	11.7
57.07066	3.1
58.32988	1.2
58.49874	1.1
59.04980	1.4
63.11420	1.3
65.03929	5.5
67.05495	85.2
67.45963	1.2
69.03414	1.7
69.07059	19.4
69.57825	7.5
69.58259	6.2
71.04979	5.1
73.06551	2.2
79.05482	88.3
81.03409	8.1
81.07044	77.4
83.04967	14.7
83.08600	11.5
85.06524	5.2
91.05469	64.1
93.07027	82.9
95.04955	22.0
95.08591	53.1
97.06512	7.6
97.10145	5.4
99.08070	2.1
103.05450	1.8
105.07014	44.2
107.04942	6.2
107.08571	32.7
109.06474	7.0
109.10136	18.5
111.08029	2.8
114.19830	1.5
115.05474	2.1
117.07005	17.1
119.04865	1.2
119.08567	33.4
121.06477	3.1
121.10136	20.2
123.08080	8.0
123.11689	5.3
125.09647	2.6
128.06178	3.8
129.05525	1.5
129.06976	15.6
131.08545	14.9
133.06438	1.8
133.10123	16.1
135.08032	1.6
135.11679	12.9
137.05983	1.7
143.08493	9.7
145.06473	1.8
145.10097	17.2
147.11665	33.5
149.09564	2.6
149.13226	7.0
151.07538	3.6
155.08508	3.2
157.10143	4.7
159.08063	1.4
159.11674	8.0
161.09575	3.9
161.13255	14.4
163.11198	2.6
163.14806	3.2
167.08626	1.9
169.10147	3.5
171.11674	26.9
173.09547	1.8
173.13219	6.7
175.14851	1.6
179.14345	1.3
185.13213	2.7
187.14671	3.3
189.11310	1.6
189.12694	7.1
197.13290	2.1
198.83701	1.4
199.14845	1.8
207.11975	2.6
207.13774	24.3
225.14908	2.5
243.21062	3.9
261.22067	10.3
267.15530	1.3
279.15927	3.6
279.23175	1.5
281.17444	46.1
313.21588	1.6
317.24731	3.3
335.25784	63.1
449.33936	1.6
467.35287	2.3
527.37280	2.6
541.38898	100.0
542.38690	1.7
559.40045	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	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.7
53.03939	8.9
55.01865	3.9
55.04010	1.6
55.05263	2.6
55.05505	31.4
56.53960	1.6
57.03429	11.1
57.07061	5.4
58.83933	1.6
61.69576	1.8
65.03931	3.8
67.05495	95.4
69.03425	1.9
69.07060	21.9
71.04975	8.2
71.08630	2.1
73.06555	2.9
79.05482	95.4
81.03400	10.5
81.07044	90.3
83.04964	13.7
83.08608	12.5
84.64204	1.6
85.06523	5.7
91.05466	72.8
91.39258	1.6
92.05790	2.2
93.07034	100.0
95.04952	29.5
95.07983	3.6
95.08593	58.6
97.02874	2.1
97.06506	9.0
97.10156	6.0
103.05444	2.9
105.04532	2.2
105.07017	59.1
107.04927	8.5
107.08586	31.4
109.06461	9.8
109.10153	16.4
111.08064	5.4
112.06731	1.5
117.07004	19.3
118.12011	1.6
119.04905	1.7
119.08569	40.0
121.06490	4.1
121.10131	21.6
123.08040	6.6
123.11698	5.3
125.09614	2.5
128.06216	3.5
129.06982	21.8
131.08556	18.0
133.06479	2.7
133.10118	23.4
135.08060	4.6
135.11656	14.6
137.05957	2.7
137.09586	1.8
141.06973	2.2
143.08553	15.4
145.10095	22.1
147.07982	2.8
147.10553	3.6
147.11670	44.3
149.13225	5.8
151.07521	3.0
151.11086	1.9
155.08519	2.4
157.10120	5.2
159.11641	12.2
161.09608	5.0
161.13231	15.4
163.11169	2.8
163.14774	3.4
169.10118	5.3
171.11650	31.7
173.13257	4.8
175.14812	3.0
179.14307	7.7
181.10057	2.0
183.11656	3.4
185.13260	2.4
187.14931	3.1
189.12740	11.0
197.13203	3.0
199.14795	3.6
201.16328	2.1
207.13744	28.0
209.15999	2.0
229.91252	1.9
243.20941	2.5
261.22110	7.0
277.21567	4.8
279.15848	3.9
281.17450	62.3
335.25815	54.8
435.32507	2.5
527.37335	23.0
541.38892	81.4
542.38837	2.8
559.39917	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
54.09693	1.6
55.01863	5.0
55.05501	30.2
56.98205	1.4
57.03429	10.0
57.07054	5.5
58.53017	1.7
65.03929	4.1
67.05496	70.3
67.56385	1.4
69.03410	5.5
69.07056	30.5
71.04990	4.7
71.08615	2.9
77.03919	1.6
79.05482	52.8
81.03399	6.6
81.07044	81.6
83.04971	9.7
83.08604	20.5
84.35123	1.7
85.06533	3.4
91.05472	49.4
93.07030	55.2
95.04956	13.1
95.07992	3.2
95.08596	45.7
97.02846	2.4
97.06525	7.9
97.10169	9.9
99.08055	2.4
102.78803	1.8
103.05415	2.6
105.07008	38.9
107.04926	6.1
107.08575	28.7
109.06495	5.6
109.10147	20.3
111.04411	1.9
111.08059	5.4
113.05944	1.5
115.05427	3.5
116.00919	1.6
117.07002	20.2
119.08570	31.9
121.06475	3.5
121.10127	21.4
123.08052	4.5
123.11687	6.2
125.09634	6.4
128.06224	4.7
129.06970	19.8
131.08540	42.3
132.12268	1.6
133.06464	2.3
133.10101	19.6
135.08009	4.5
135.11647	13.4
141.07005	6.4
142.07724	2.7
143.08551	28.5
145.06451	3.9
145.10103	31.9
147.08011	4.6
147.11674	16.1
149.09586	2.9
149.13260	7.6
151.03877	3.6
151.11153	2.8
155.08531	19.4
156.09303	2.3
157.10150	20.6
159.07979	1.9
159.11684	14.4
161.09573	4.0
161.13220	10.4
162.50580	1.6
163.11147	2.6
163.14793	3.6
165.09143	2.6
167.08607	3.9
169.10118	19.9
171.11656	21.2
173.13216	10.4
175.14807	2.9
177.12759	2.5
177.16335	1.8
179.08551	2.3
181.10115	8.5
183.11656	10.9
185.09616	2.4
185.13220	10.5
187.11189	3.2
187.14845	5.0
189.12721	3.8
189.16446	2.0
193.10178	3.0
195.11726	7.2
197.13177	10.3
199.14825	8.1
201.16335	4.3
207.11757	3.7
207.13777	8.0
209.13222	5.8
211.14795	8.9
213.16388	6.0
221.13225	2.1
223.13039	2.7
223.14880	4.8
225.16394	7.7
227.18011	2.7
233.13475	1.8
234.06285	1.7
235.14859	3.3
237.16467	4.1
239.18018	5.4
243.21069	3.1
249.16306	2.6
261.22061	8.8
273.18442	4.9
279.15973	5.2
281.17480	19.6
291.19479	24.0
311.23660	2.6
317.24796	3.2
325.25198	3.4
335.25986	12.5
397.26904	2.3
431.32913	9.6
437.34134	9.4
439.35928	3.4
449.34286	19.5
467.35336	15.3
485.36163	12.8
511.37625	5.1
523.37781	12.8
529.38910	22.0
531.40497	4.0
541.38873	100.0
542.39606	3.1
559.23181	2.8
559.40454	52.3
560.40497	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	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.6
53.44506	2.9
55.05264	3.0
55.05503	33.0
57.03438	17.5
57.07078	12.7
67.05128	4.8
67.05492	84.3
68.05820	2.8
69.07059	25.5
71.04970	4.3
71.08604	6.1
71.79967	3.7
73.06522	3.7
79.05480	95.8
81.03403	20.0
81.07047	92.3
82.03707	2.9
82.07385	3.2
83.04975	17.8
83.08619	18.9
85.02848	3.5
85.06514	5.7
85.08084	2.5
89.28683	2.6
91.04912	3.9
91.05470	74.9
93.07030	91.6
94.07331	2.9
95.04935	26.6
95.08597	63.3
97.02876	3.1
97.06535	6.3
97.10146	7.4
105.07019	64.2
107.04948	7.4
107.08578	34.7
109.06502	6.3
109.10130	21.7
111.08040	7.4
117.06990	10.2
119.08557	35.8
121.06474	3.5
121.10115	17.9
123.11679	5.0
129.06973	14.8
130.07668	3.3
131.08566	15.1
133.06468	2.8
133.10130	22.8
135.11668	13.3
143.08545	13.7
145.10104	20.3
147.11682	37.9
149.13167	6.3
159.11693	6.7
161.09581	3.2
161.13237	12.9
169.10059	2.5
171.11661	27.7
173.13190	6.5
175.11232	3.0
189.12721	8.1
193.12253	8.0
194.12494	3.6
207.13792	26.4
211.13223	15.6
212.13594	7.6
229.25031	2.9
261.22015	11.1
279.15912	4.9
281.17429	45.6
285.16919	10.9
286.17310	12.9
294.55618	2.7
313.27362	10.2
314.27637	16.3
335.25729	72.8
485.36026	4.1
506.39639	3.8
524.40063	22.8
541.38855	100.0
542.39020	5.0
559.39563	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	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35659	0.8
53.03931	3.3
55.01863	7.9
55.05503	27.7
57.03428	4.7
57.07062	1.8
59.04980	1.0
65.03917	3.0
67.05496	52.2
67.70826	0.8
69.03416	8.5
69.06679	1.4
69.07061	29.4
70.43476	3.3
71.04979	3.5
71.08601	1.3
77.03915	1.3
79.05011	1.7
79.05480	42.0
81.03416	8.8
81.07044	53.5
83.04994	6.5
83.08606	13.6
85.06532	2.7
91.05466	29.0
93.07032	39.9
95.04955	11.9
95.08591	18.4
97.02882	6.9
97.06514	8.0
97.10165	13.6
99.08097	1.5
105.07018	19.5
107.04938	6.9
107.08583	26.6
109.02812	0.9
109.06501	5.4
109.10143	9.1
111.04429	1.3
111.08104	5.6
115.05447	1.8
117.07005	11.2
119.04984	1.1
119.08567	13.0
121.06518	2.6
121.10129	11.5
123.08048	3.9
123.11713	3.0
125.09612	8.1
128.06181	1.3
129.06987	5.5
131.04921	0.8
131.08549	13.0
133.06499	2.4
133.10117	12.3
135.04420	0.9
135.08052	5.7
135.11684	6.1
137.05974	1.9
137.09621	2.0
141.06985	1.1
142.07802	1.1
143.08539	6.3
145.06458	2.0
145.10107	7.9
147.08003	4.4
147.11678	4.8
149.09619	3.5
149.13246	10.5
151.03842	1.1
151.11206	2.5
153.09108	1.4
155.08516	2.5
157.10185	5.4
159.08023	2.0
159.11676	7.5
159.12857	1.2
161.09601	4.2
161.13304	2.0
163.11186	3.2
169.10071	2.0
171.08054	0.9
171.11647	2.3
173.09676	1.7
173.13271	1.7
175.11241	2.6
177.12752	3.6
179.10762	0.9
181.10159	1.0
183.11694	1.5
185.13246	2.4
187.11252	1.7
187.14748	1.6
189.11252	3.3
193.12192	1.0
195.11909	1.5
195.13834	5.0
199.11011	1.1
205.12248	1.8
213.14754	1.4
220.21704	0.9
223.13261	12.7
227.12773	5.9
245.19098	1.2
249.14931	1.0
253.14299	1.5
255.17580	1.2
267.15948	3.7
269.17517	1.7
273.18484	12.5
275.20029	3.5
291.19498	73.8
293.21176	1.9
297.21939	1.1
309.20590	1.4
315.23227	2.3
347.22382	3.6
349.23767	1.5
365.23444	1.5
431.29132	1.7
449.30585	2.2
467.31720	3.4
485.32806	1.8
523.33917	1.3
531.36761	1.2
541.35168	16.4
559.36292	100.0
560.36835	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	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29043	0.8
53.03948	4.4
55.01865	7.5
55.05503	24.5
57.03428	3.6
57.07065	2.4
59.04986	1.6
65.03928	2.4
67.05496	51.0
69.03422	6.6
69.07062	29.0
71.04971	2.9
71.08614	1.9
71.80315	1.1
73.02905	0.8
77.14341	0.8
79.05482	36.3
80.83099	0.9
81.03413	15.1
81.07045	50.6
83.04978	6.4
83.08605	12.4
85.02890	1.3
85.06548	2.5
86.32520	0.9
91.05466	28.1
93.07032	39.1
95.01319	1.9
95.04958	11.9
95.08594	18.3
96.08975	0.9
97.02869	8.9
97.06522	8.2
97.10155	10.0
99.08076	3.1
105.03348	1.2
105.04520	1.3
105.07016	21.8
106.02229	0.8
107.04942	7.6
107.08580	23.9
109.06498	5.1
109.10153	11.5
111.04457	1.7
111.08060	4.6
113.09727	0.9
115.05460	2.0
117.06993	10.6
119.04969	1.5
119.08569	13.6
121.06518	5.5
121.10123	10.6
123.08049	3.4
123.11697	2.7
125.06008	1.1
125.09631	9.0
128.06239	2.1
129.06969	5.4
131.08542	13.9
133.06491	3.0
133.10094	10.2
135.08022	4.5
135.11661	7.2
137.05945	1.8
137.09596	1.5
141.06947	1.7
142.07800	1.8
143.08521	4.3
145.06503	1.8
145.10112	8.4
147.08067	4.1
147.11674	6.5
149.09625	3.3
149.13252	10.9
151.03809	1.4
151.07500	1.2
151.11197	2.1
153.09047	0.9
155.08545	2.0
157.10120	4.4
159.08060	2.3
159.11667	9.8
161.09622	2.3
161.13251	1.5
163.11180	1.8
165.09081	1.2
169.10124	1.9
171.11684	3.1
173.09619	1.3
173.11836	1.9
173.13261	2.2
175.11206	3.0
177.12750	2.7
179.14330	1.2
181.10175	1.3
183.11772	1.3
185.13235	2.8
187.11224	1.3
187.14931	1.0
189.11247	3.0
193.12250	3.3
195.13794	4.3
197.13364	1.0
199.14774	1.3
205.12268	2.5
211.13179	1.4
219.13751	1.8
223.13223	10.8
223.14926	0.9
227.12727	4.7
229.14368	1.3
233.15483	1.0
245.19067	1.2
249.14748	1.4
255.17551	1.2
263.20038	1.0
267.15826	4.4
269.17526	2.3
273.18423	11.6
275.20007	8.2
277.21689	1.3
287.23529	0.8
291.19501	67.8
293.21097	7.2
297.22141	1.0
310.20627	0.8
313.21725	0.8
315.23199	3.3
339.98135	0.8
347.22092	2.2
349.23682	1.4
421.31018	1.0
424.27795	3.5
431.29208	1.5
447.27350	0.9
449.30429	2.1
467.31094	4.7
485.32440	1.7
541.35181	13.7
559.36292	100.0
560.36578	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.8
55.01860	16.8
55.05501	57.3
57.03428	10.8
57.07056	2.5
65.03931	5.1
67.05492	78.1
67.87267	2.2
69.03405	5.6
69.07053	35.3
71.04327	5.6
71.04968	8.6
79.05479	67.1
81.03405	54.2
81.07041	67.2
83.04944	12.5
83.08604	38.0
85.06520	4.7
88.43478	1.8
91.05463	51.0
93.07032	42.5
95.04952	30.8
95.08586	32.4
97.06511	15.3
97.10152	37.8
99.19557	1.9
103.05458	2.1
105.04510	2.2
105.07005	52.4
105.07707	2.9
107.04931	16.9
107.08575	44.7
109.06493	10.9
109.10146	23.8
111.08070	8.9
115.05456	5.8
117.06987	27.4
119.04935	2.8
119.08565	34.7
120.05735	1.6
121.06491	10.2
121.10111	17.6
123.08038	8.0
123.11686	14.1
125.09613	29.5
126.48094	2.2
128.06219	3.9
129.06975	18.7
130.07797	2.7
131.04945	3.2
131.08542	29.7
133.06496	7.9
133.10104	25.8
135.08049	9.3
135.11652	9.9
137.09605	8.1
141.06996	6.6
142.07735	4.2
143.08543	13.0
145.06480	8.5
145.10097	28.5
147.08047	6.1
147.11668	31.8
149.09573	20.7
149.13219	2.6
151.11148	4.6
153.09091	4.2
154.07762	1.9
155.08527	8.9
157.06444	2.3
157.10098	19.2
159.08051	7.1
159.11647	14.4
161.09634	5.9
161.13231	4.5
163.11125	9.4
165.12761	4.1
169.10135	11.3
171.08057	2.5
171.10371	2.8
171.11595	11.0
173.09549	9.8
173.11861	4.2
173.13297	5.7
175.11159	7.8
177.12737	4.1
181.10104	4.9
183.08157	1.9
183.11685	8.6
185.09575	2.4
185.13258	8.2
187.11200	11.8
187.13232	2.6
187.14803	3.4
189.11212	19.5
189.12802	4.9
193.10393	3.3
193.12201	23.0
195.11794	3.7
197.13211	5.1
198.45593	1.8
199.11255	2.5
199.14822	2.5
201.12787	4.1
205.12169	3.6
207.11736	2.5
209.13298	4.2
211.13264	4.2
213.12709	3.4
223.13181	2.7
223.15089	2.0
225.12769	2.9
227.12686	26.3
229.19643	2.9
233.15428	2.4
239.17953	2.7
247.20715	3.0
257.15356	2.1
257.18848	9.2
267.15851	36.3
271.20511	1.7
275.20032	48.7
281.19107	4.3
293.21118	6.9
295.20438	2.0
297.22128	6.2
299.19980	24.1
303.19183	2.1
311.09781	1.7
313.21674	4.4
315.23099	12.2
317.21030	13.3
329.21130	2.8
337.21762	2.6
349.23764	21.2
351.22913	2.3
355.22583	4.0
363.21805	3.3
373.23804	8.0
385.23749	5.4
391.24582	1.8
397.22336	3.8
429.26471	2.2
431.29489	6.3
437.25320	3.6
447.27283	11.0
449.30670	13.9
459.27359	5.1
467.31430	20.5
477.28311	5.0
485.32538	11.6
523.34204	8.1
530.43976	2.0
541.35144	100.0
542.73590	1.8
559.36230	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	559.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.5
55.01870	18.4
55.05502	49.5
57.03424	12.7
62.09129	1.9
62.91171	1.8
63.07561	1.7
65.03923	4.1
67.05133	4.2
67.05492	71.4
69.03416	6.9
69.07059	37.2
71.04981	9.1
79.05479	69.4
81.03403	51.7
81.07040	77.2
83.04962	13.2
83.08614	35.6
85.02905	2.7
85.06528	3.9
91.05465	60.0
93.07027	49.4
95.04951	32.0
95.08595	35.2
97.06508	17.9
97.10155	36.5
103.05430	2.5
105.07021	47.5
107.04932	15.4
107.08578	45.5
109.06522	10.3
109.10136	24.0
111.04417	2.6
111.08086	8.8
115.05462	4.3
117.06993	25.8
119.08559	34.6
121.06485	9.7
121.10097	18.6
123.04354	1.9
123.08052	7.4
123.11676	11.7
125.09602	31.2
128.06247	4.1
129.06978	17.6
131.04904	2.1
131.08542	35.9
133.06514	9.2
133.10100	25.7
135.08046	9.7
135.11678	6.6
137.09598	4.2
141.06992	7.2
142.07758	4.7
143.08530	18.6
145.06514	9.2
145.10101	30.3
147.08037	9.3
147.11673	32.3
149.09592	20.6
149.13225	3.5
153.09088	6.2
154.07870	2.9
155.08557	8.5
157.02246	2.1
157.10112	16.8
158.07260	2.1
159.08057	6.6
159.11659	15.1
161.09619	6.7
161.13261	4.5
163.11153	12.4
165.12759	4.7
169.10054	10.0
171.08026	3.1
171.11627	10.1
173.09685	5.2
173.13281	8.9
175.11168	11.0
177.12708	3.8
179.08606	2.7
179.14307	2.6
181.10100	4.0
183.11737	7.8
185.09625	2.3
185.13268	8.2
187.11186	9.1
187.13173	4.0
189.09572	3.1
189.11227	22.2
189.12794	4.3
193.12180	19.3
195.11697	3.0
197.13263	7.3
199.11110	3.7
199.14778	3.8
201.12688	3.2
203.14319	3.5
209.13297	2.5
213.12752	3.3
219.13730	3.5
227.12671	26.7
229.14455	2.2
230.83875	3.4
239.17880	3.6
249.14876	4.0
253.09644	2.9
257.19028	6.1
267.15805	33.0
267.53812	2.1
275.20016	46.2
281.19006	4.6
287.20154	2.5
291.19550	2.5
293.21243	5.8
297.22214	7.2
299.19888	17.2
313.21762	3.4
315.23053	11.5
317.21078	10.2
349.23660	19.8
353.24887	2.6
355.22437	3.6
373.23782	8.1
397.22638	2.6
403.25040	2.0
421.25693	2.8
431.29501	7.7
447.27435	7.1
449.30478	13.1
459.27448	4.3
467.31421	21.7
477.28479	2.5
485.32562	12.5
487.31573	2.3
523.34174	6.9
541.35205	96.1
559.36261	100.0
587.56036	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	558.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01880	1.4
55.05501	12.4
57.03428	12.1
57.07067	26.9
59.04982	1.2
67.05498	17.4
69.03409	3.0
69.07060	8.5
71.04974	3.3
71.08624	22.0
71.53642	2.1
79.05474	12.4
81.03408	47.1
81.06594	1.7
81.07049	28.2
81.07532	1.6
83.04967	9.6
83.08154	2.0
83.08609	25.3
85.02891	15.8
85.06503	1.8
85.10173	10.4
89.06016	2.6
91.05473	12.9
92.61600	1.0
93.07031	9.1
95.04955	16.7
95.08596	17.1
97.02851	1.3
97.06507	1.8
97.10157	5.9
103.25074	0.9
105.07009	11.9
107.04964	2.9
107.08570	6.5
109.06507	1.5
109.10130	7.0
111.04430	1.2
111.08071	8.3
111.28940	1.1
113.06003	2.2
115.05497	1.1
119.08566	10.2
121.10120	6.6
123.08041	1.2
123.11664	2.6
129.06981	7.0
131.08560	7.2
132.76286	1.0
133.06485	2.7
133.10109	5.9
137.13298	1.3
142.07753	1.3
145.10135	1.2
147.08015	1.5
147.11696	9.2
149.09608	3.1
157.10098	9.8
165.12764	2.5
175.11165	11.2
193.12218	31.3
193.13965	1.8
211.13257	51.3
239.23721	2.6
257.24750	1.2
267.15906	8.6
285.16919	40.5
298.41400	1.1
313.27316	66.4
315.27884	1.6
505.38791	7.0
510.02606	1.1
523.39862	100.0
524.40173	1.4
546.28992	1.1
558.54517	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	558.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
55.05505	13.1
57.03421	12.7
57.07067	31.6
67.05486	34.7
69.07065	17.6
71.04966	3.0
71.08627	16.9
71.80344	4.2
79.05486	22.3
79.16872	2.4
81.03410	7.7
81.07046	44.1
83.04960	4.2
83.08622	15.0
85.10163	13.3
91.05470	25.3
93.07021	22.0
95.04960	5.4
95.08582	21.1
97.06525	4.4
97.10163	9.9
105.07023	21.9
106.77563	2.3
107.08571	9.5
109.06510	6.1
109.10143	13.9
117.06973	3.7
119.08566	21.3
120.38137	2.5
121.10130	25.8
123.11697	5.9
129.06987	6.1
131.08557	17.5
133.10115	22.3
135.11655	3.8
142.07788	2.8
145.10028	3.6
147.11662	20.6
148.45119	2.5
149.09589	26.5
149.13266	4.2
157.10107	15.3
163.15808	2.8
165.12625	3.6
175.11145	17.9
193.12244	16.2
211.13068	3.6
243.15945	4.4
267.15836	60.6
269.17404	7.0
278.05093	3.3
285.16870	25.3
287.18451	7.9
311.25601	15.6
313.27328	100.0
467.53171	2.9
479.37146	17.8
505.38687	47.7
523.39838	26.7
558.43744	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	558.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27668	1.2
53.03934	2.3
54.39349	1.2
55.01848	1.4
55.05497	15.0
57.03428	17.0
57.07069	38.2
65.03953	1.7
67.05495	31.1
69.03402	3.4
69.07056	14.5
69.58694	13.8
71.04977	3.3
71.08620	26.6
79.05476	24.3
81.02926	2.6
81.03405	45.4
81.07048	34.9
83.04961	11.7
83.08606	24.4
85.02892	19.5
85.10175	14.1
89.06023	3.5
89.49203	1.5
90.36384	1.4
91.05462	26.7
93.07032	17.4
95.04954	14.9
95.08585	24.5
97.02914	3.5
97.06525	4.0
97.10157	5.7
98.20640	2.6
105.07014	18.2
107.04946	4.4
107.08616	8.1
109.06520	2.5
109.10154	10.0
111.04439	1.9
111.08070	7.9
111.11729	1.7
113.05977	2.3
117.07011	2.3
119.08570	17.0
120.98631	1.8
121.10136	8.9
123.08056	3.0
123.11694	6.3
129.06973	9.1
131.08533	8.6
133.10100	10.1
142.07806	2.1
147.08023	2.2
147.11679	13.3
149.09598	4.6
157.10117	9.6
165.12740	2.0
175.11177	9.9
193.12216	42.9
211.13263	65.8
239.23665	1.6
267.15900	13.8
285.16931	72.9
297.96982	1.6
310.12823	1.4
313.27313	100.0
314.27560	2.1
335.25580	1.6
446.55243	1.8
505.38882	14.4
523.39856	78.6
524.40576	2.2
553.32990	1.4
558.53674	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65397	0.9
51.74654	1.0
52.67800	0.8
53.03922	1.7
55.01863	4.6
55.05260	1.5
55.05503	19.4
55.80667	0.9
57.03425	9.0
57.07051	3.2
58.06159	1.0
59.04991	4.8
61.85703	1.1
65.03914	3.6
67.05495	100.0
68.05805	1.9
69.03393	2.2
69.07059	13.2
70.78236	0.9
71.04969	4.9
71.08619	7.3
71.79575	1.3
79.05480	24.1
79.57581	1.1
81.03403	4.6
81.07042	40.1
82.07392	1.2
83.04974	5.6
83.08600	13.8
85.02882	1.2
85.06520	4.0
91.05467	22.5
92.05792	1.5
93.07027	28.3
95.04952	9.9
95.08588	24.9
97.06511	4.8
97.10153	5.8
99.04461	1.1
99.08067	6.8
105.07027	13.2
106.07366	1.3
107.04945	3.3
107.08589	15.2
107.46301	1.1
109.06488	2.7
109.10140	66.4
110.10402	1.3
111.08058	5.0
115.05398	1.5
117.07008	8.2
119.08554	13.0
120.08910	1.4
121.06469	2.5
121.10131	8.2
123.04389	1.0
123.08027	2.1
125.09637	5.3
129.07002	4.8
131.08566	9.0
133.10097	7.1
135.08012	3.0
135.11679	6.0
137.09583	3.3
139.11150	1.8
141.06999	1.5
143.08504	4.6
144.08849	1.7
145.10117	5.9
146.10468	1.4
147.07951	1.3
147.11649	4.2
148.12024	0.9
149.09608	1.8
149.13248	6.4
151.11165	8.2
155.08632	1.4
155.10663	2.7
156.08904	1.1
157.10114	2.9
159.10429	1.3
159.11667	6.0
160.11957	1.2
161.09637	2.1
161.13202	4.0
163.11133	4.1
169.10123	2.1
171.11688	2.8
172.11952	1.0
173.11717	19.7
173.13211	2.3
175.14767	1.6
177.12668	2.4
179.14259	2.5
184.11946	1.0
185.13066	1.2
187.14789	1.4
189.11162	2.6
193.10266	1.0
193.12201	1.2
195.13759	2.9
197.13220	2.0
199.14868	1.0
227.12737	9.5
229.14310	39.2
241.19409	2.1
251.16229	1.6
259.20554	2.6
267.15863	2.0
269.17404	5.9
277.21628	9.0
291.19482	3.5
327.21542	4.4
333.24127	1.1
351.25317	13.3
369.22583	9.1
383.24301	4.9
399.23703	4.2
407.27676	2.7
423.27356	79.0
424.27710	1.7
438.34149	1.3
440.29962	1.2
448.32751	1.6
466.34058	2.1
484.35104	1.7
505.35144	13.4
523.35516	1.7
526.35590	1.5
540.37781	10.5
541.35217	1.4
558.38959	8.6
559.36487	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65397	0.9
51.74654	1.0
52.67800	0.8
53.03922	1.7
55.01863	4.6
55.05260	1.5
55.05503	19.4
55.80667	0.9
57.03425	9.0
57.07051	3.2
58.06159	1.0
59.04991	4.8
61.85703	1.1
65.03914	3.6
67.05495	100.0
68.05805	1.9
69.03393	2.2
69.07059	13.2
70.78236	0.9
71.04969	4.9
71.08619	7.3
71.79575	1.3
79.05480	24.1
79.57581	1.1
81.03403	4.6
81.07042	40.1
82.07392	1.2
83.04974	5.6
83.08600	13.8
85.02882	1.2
85.06520	4.0
91.05467	22.5
92.05792	1.5
93.07027	28.3
95.04952	9.9
95.08588	24.9
97.06511	4.8
97.10153	5.8
99.04461	1.1
99.08067	6.8
105.07027	13.2
106.07366	1.3
107.04945	3.3
107.08589	15.2
107.46301	1.1
109.06488	2.7
109.10140	66.4
110.10402	1.3
111.08058	5.0
115.05398	1.5
117.07008	8.2
119.08554	13.0
120.08910	1.4
121.06469	2.5
121.10131	8.2
123.04389	1.0
123.08027	2.1
125.09637	5.3
129.07002	4.8
131.08566	9.0
133.10097	7.1
135.08012	3.0
135.11679	6.0
137.09583	3.3
139.11150	1.8
141.06999	1.5
143.08504	4.6
144.08849	1.7
145.10117	5.9
146.10468	1.4
147.07951	1.3
147.11649	4.2
148.12024	0.9
149.09608	1.8
149.13248	6.4
151.11165	8.2
155.08632	1.4
155.10663	2.7
156.08904	1.1
157.10114	2.9
159.10429	1.3
159.11667	6.0
160.11957	1.2
161.09637	2.1
161.13202	4.0
163.11133	4.1
169.10123	2.1
171.11688	2.8
172.11952	1.0
173.11717	19.7
173.13211	2.3
175.14767	1.6
177.12668	2.4
179.14259	2.5
184.11946	1.0
185.13066	1.2
187.14789	1.4
189.11162	2.6
193.10266	1.0
193.12201	1.2
195.13759	2.9
197.13220	2.0
199.14868	1.0
227.12737	9.5
229.14310	39.2
241.19409	2.1
251.16229	1.6
259.20554	2.6
267.15863	2.0
269.17404	5.9
277.21628	9.0
291.19482	3.5
327.21542	4.4
333.24127	1.1
351.25317	13.3
369.22583	9.1
383.24301	4.9
399.23703	4.2
407.27676	2.7
423.27356	79.0
424.27710	1.7
438.34149	1.3
440.29962	1.2
448.32751	1.6
466.34058	2.1
484.35104	1.7
505.35144	13.4
523.35516	1.7
526.35590	1.5
540.37781	10.5
541.35217	1.4
558.38959	8.6
559.36487	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3068
Annotation	Hemsine A
Peak:m/z	Relative Intensity
54.19931	0.1
55.01855	0.1
55.05476	0.2
56.05029	0.8
58.06586	5.7
65.28693	0.1
66.99031	0.1
68.05010	0.3
69.03381	0.2
69.05782	0.1
69.07037	0.5
69.61703	0.2
69.62008	1.3
70.06208	0.2
70.06580	2.5
81.03390	0.2
81.07029	0.3
84.03982	0.2
84.04490	3.7
85.02905	0.2
86.09660	0.3
91.05452	0.4
95.04942	0.2
95.08590	0.1
96.08091	0.4
97.06487	0.2
98.09653	0.2
105.06993	0.2
106.06535	0.7
114.09148	1.6
115.05416	1.3
117.06975	0.8
117.24851	0.1
118.06509	0.4
119.04921	0.2
119.08549	0.1
127.03931	0.2
129.06969	0.3
130.06496	7.9
130.44257	0.1
131.04881	0.2
134.05931	0.7
135.06767	0.4
141.10162	0.3
142.06519	1.5
142.08614	0.4
143.07310	0.7
144.08057	27.2
146.05975	0.2
155.07349	0.2
156.08075	0.6
157.07588	0.6
160.07585	0.9
160.09689	0.8
160.11195	0.5
164.11467	0.2
168.08006	0.4
169.07487	0.2
169.08850	0.3
170.05983	15.8
171.09186	0.8
172.09924	7.6
174.09117	0.4
177.05286	0.2
184.07512	0.3
186.09076	0.6
187.12271	100.0
188.12711	0.8
196.07529	0.4
198.12776	3.2
210.11356	0.3
213.10106	0.2
225.10175	0.2
227.15428	0.5
233.11754	0.2
247.80179	0.2
253.09709	0.2
265.09729	0.2
326.18524	0.8
354.18027	0.5
356.19638	0.4
363.13751	0.1
378.26199	0.3
382.17386	0.3
396.27405	1.4
400.16891	0.5
407.81769	0.2
427.23364	6.4
457.26089	0.3
460.74380	0.2
485.25482	2.7
503.59921	0.1
513.24902	14.3
514.25195	0.4
558.30652	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	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49250	1.5
55.01856	3.6
55.05508	2.6
61.02906	2.6
61.63210	1.5
67.05481	1.7
69.03416	10.5
69.68700	3.6
69.69099	12.4
70.06573	5.1
70.49349	1.7
72.08138	2.9
79.05481	4.9
81.03405	6.5
82.06551	4.7
83.04956	2.9
84.04484	1.6
84.08134	1.8
85.02890	13.8
91.05463	18.6
93.07014	3.4
95.04942	6.8
97.02880	6.1
98.20656	2.0
99.04442	3.3
103.05453	13.1
105.07030	13.7
107.04952	24.1
107.08546	3.5
109.02866	6.9
109.06493	2.7
111.08072	1.9
114.09130	9.8
114.12788	3.8
115.05457	4.8
115.13113	2.0
117.07006	3.5
118.28467	1.6
119.04928	17.6
121.06477	9.4
122.03629	5.4
127.03912	9.0
128.06219	2.6
128.07054	10.0
129.06993	8.5
130.04128	2.1
130.08618	9.8
131.04915	20.4
133.02838	7.9
133.06487	15.1
135.04390	3.2
135.08026	10.4
137.05962	99.3
138.25282	1.7
140.07037	1.7
145.02840	2.2
145.05002	2.7
145.06392	1.9
146.06042	1.8
146.07141	2.8
147.04384	22.9
148.05156	5.4
149.05972	15.2
151.07516	50.7
157.06470	6.5
161.05957	95.9
161.09592	21.1
162.06776	8.1
163.03928	9.9
163.06192	3.2
163.07535	49.6
164.04263	4.8
165.09050	5.1
167.07166	3.5
167.08560	5.0
173.05978	2.0
174.06720	5.0
175.07521	13.6
177.05443	5.3
177.09033	4.8
179.07002	14.2
181.08595	22.8
187.07539	2.5
189.09079	59.2
191.06958	4.0
192.99574	1.8
193.06557	2.6
193.08568	5.0
193.10240	2.0
195.07980	5.6
195.09787	1.8
201.09088	2.8
203.06866	2.0
207.10138	100.0
217.08472	2.2
219.10138	7.4
221.06023	2.0
221.09630	2.9
223.07509	4.9
224.08228	1.7
227.06984	2.3
227.10735	9.9
229.08589	1.8
240.12238	1.8
241.08463	2.6
249.08926	2.2
253.08595	5.7
253.12222	6.2
255.10162	9.9
256.89423	1.7
269.08151	2.0
273.11169	3.0
281.11633	4.2
285.11029	9.6
287.12778	27.0
291.12228	6.6
297.11102	5.1
299.12842	5.2
311.12817	8.6
313.14282	30.4
316.11246	1.7
323.11191	2.8
325.14297	2.7
331.15359	77.6
343.15225	12.0
350.14279	3.9
558.29303	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01854	3.8
55.05505	20.4
57.03419	5.6
57.07058	2.5
65.03905	1.9
67.05495	38.6
68.05812	2.1
69.03400	1.5
69.07056	17.7
71.04973	3.8
71.79627	2.1
73.02896	1.0
76.14901	0.9
79.05479	34.1
80.05824	1.2
81.03410	5.0
81.07045	37.7
82.07362	1.7
83.04961	5.5
83.08608	8.5
85.06513	3.3
91.04906	1.9
91.05464	34.6
92.05803	1.7
93.07026	35.6
94.07362	1.9
95.01307	1.0
95.04955	9.5
95.08594	29.6
97.06489	6.0
97.10156	6.2
99.08025	1.5
103.05441	2.5
105.07010	31.7
106.07304	1.2
107.04956	5.5
107.07892	1.5
107.08575	20.0
109.06499	5.1
109.10146	12.1
111.04408	1.0
111.08059	2.5
115.05448	2.1
117.06998	17.5
119.08559	28.1
119.44352	0.9
121.06449	3.4
121.10113	11.6
123.08046	4.8
123.11689	1.2
125.09584	3.5
128.06189	3.6
129.05505	1.2
129.06981	17.3
130.07768	1.5
131.07637	1.7
131.08546	24.6
133.06468	2.1
133.10121	18.2
135.08018	3.2
135.11697	9.1
135.18187	0.9
137.05948	1.0
137.09581	1.9
141.06966	7.0
142.07732	3.5
143.08545	20.6
144.09189	1.2
145.06476	2.3
145.10095	23.3
147.08017	3.4
147.11667	16.5
148.12082	1.0
149.09575	4.5
149.13216	4.3
151.11137	2.1
154.07689	1.3
155.08524	13.3
156.09286	1.3
157.10103	18.7
158.24844	1.0
159.08052	2.0
159.11665	15.5
161.09601	3.3
161.13243	9.5
163.11188	4.7
163.14839	1.7
166.07735	1.4
166.17545	0.9
167.08562	6.4
169.10101	18.0
170.10777	1.0
171.08038	1.4
171.11667	18.2
173.09590	2.2
173.13208	10.5
175.11153	2.7
175.14819	4.1
177.12683	2.3
179.08470	2.1
180.09256	1.2
181.10083	10.3
182.10968	2.2
183.11661	15.4
185.09581	2.5
185.13249	12.9
187.11168	3.0
187.14772	4.3
189.11237	1.2
189.12744	2.3
193.10072	3.8
195.11670	9.2
196.12355	1.1
197.13242	9.8
199.11191	1.8
199.14766	8.0
201.12659	1.3
201.16408	2.4
203.10570	1.2
205.10080	2.1
207.11638	3.5
207.13744	4.5
209.13214	7.8
211.11232	1.0
211.14810	7.5
213.12791	1.2
213.16338	6.2
215.17931	2.1
219.17296	1.1
221.13251	2.7
223.14821	6.1
225.16331	3.6
227.12694	3.0
227.17883	1.6
231.21077	1.1
235.14713	1.8
237.16336	2.7
239.17987	3.0
241.19478	7.0
247.17009	1.4
249.16345	1.6
251.17999	2.6
257.18979	2.8
259.20563	12.3
271.16693	1.5
275.20120	5.4
276.20193	2.2
279.15918	4.0
279.21021	1.6
281.17340	9.2
283.20517	1.2
285.22076	1.4
287.20041	1.8
288.47409	1.0
293.18823	1.2
295.20630	1.3
297.18665	1.0
297.22034	1.3
307.20724	1.0
311.19955	2.0
311.23477	1.4
313.21704	1.8
321.21957	2.3
323.23605	2.8
325.21552	1.0
325.25266	1.2
331.22629	1.0
333.24283	6.1
335.23596	2.3
337.25287	1.5
339.23035	1.9
341.24731	2.2
353.24698	2.5
367.26123	1.1
419.33331	1.9
429.31406	3.5
437.34256	9.8
447.32706	16.9
465.33658	19.0
483.34729	14.3
493.36963	1.1
501.35315	2.6
511.37735	2.6
521.36163	8.5
527.37146	3.8
529.38763	7.5
539.37329	100.0
540.37390	1.9
557.38531	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02126	1.0
53.03923	3.8
55.01855	2.4
55.05502	17.5
56.99028	0.9
57.03422	5.1
57.07051	3.6
60.13661	0.9
61.01282	0.8
61.49051	0.8
65.03924	2.8
67.05495	37.7
68.32207	0.9
69.03410	1.3
69.07057	14.5
69.81600	6.0
69.82011	2.0
71.04979	2.7
71.08603	2.0
72.08147	1.0
79.05016	1.9
79.05479	34.4
81.03405	3.5
81.07042	39.1
83.04970	5.3
83.08614	8.0
85.02866	1.2
85.06529	2.8
91.05467	32.2
93.07029	35.0
95.04961	9.4
95.08595	27.0
97.06525	4.8
97.10150	4.9
99.08073	2.0
103.05454	1.2
105.07017	33.3
107.04961	4.2
107.08578	16.1
109.06509	3.5
109.10142	10.0
111.08060	3.1
115.05447	1.9
117.06999	15.7
119.08562	25.4
119.09401	1.7
121.06519	1.8
121.10115	12.2
123.08035	4.1
123.11674	3.1
125.09597	2.6
127.07484	1.2
128.06195	4.1
129.06982	14.2
130.07764	1.0
130.88173	1.0
131.08548	23.6
133.06499	1.7
133.10107	16.9
135.08047	2.7
135.11652	6.9
137.09508	1.1
141.06998	4.9
142.07780	3.0
142.38249	1.0
143.08533	18.8
144.09256	1.3
145.06493	1.3
145.10109	22.1
147.08049	2.0
147.11662	18.4
149.09615	1.7
149.13237	4.2
154.07811	1.3
155.08527	15.3
156.09328	1.7
157.10101	16.1
159.08011	2.2
159.11668	16.8
161.09613	1.7
161.13240	8.9
163.11172	2.6
163.14905	1.3
165.06981	1.1
167.08563	6.4
168.09364	1.8
169.10095	17.6
170.10876	1.2
171.08022	0.9
171.11658	17.7
173.13254	9.2
175.11169	2.2
175.14787	5.0
177.12799	1.9
179.08533	2.4
180.09323	1.0
181.10127	11.8
182.10977	2.6
183.11656	15.1
184.09151	1.1
185.09555	1.7
185.13199	11.7
187.11166	2.0
187.14786	4.9
189.12729	1.7
193.10124	2.3
195.11673	7.0
196.12566	1.2
197.13251	10.8
199.11324	1.1
199.14807	8.0
201.16422	2.4
203.14171	0.9
207.11665	3.9
207.13785	4.1
209.13287	8.4
211.14719	5.3
213.16336	6.0
215.17931	1.6
219.11662	1.2
221.13202	3.7
223.12950	1.5
223.15042	5.5
225.16432	3.4
227.14409	1.2
227.17854	1.4
229.19525	1.4
231.17410	1.0
233.13202	2.1
235.14755	2.3
237.16411	3.6
239.17978	2.2
241.19434	7.0
243.21074	0.9
247.17010	1.8
249.16325	1.1
251.17992	1.2
257.19028	2.9
259.20538	11.0
279.15891	6.0
281.17441	9.8
293.18954	1.4
295.20874	1.7
297.22110	1.5
307.20587	1.3
311.20132	1.4
311.23526	1.9
313.21558	1.6
315.23117	1.5
321.22183	2.0
323.20401	1.0
323.23962	2.9
325.21500	1.3
327.23047	1.1
333.24115	5.8
335.23709	2.5
337.25082	1.4
339.23120	1.6
341.24802	1.9
349.25430	2.2
353.24896	2.0
367.26120	1.4
369.27908	1.2
419.33072	3.5
429.31610	6.0
437.34158	9.7
447.32489	19.6
465.33655	20.2
483.34601	14.6
501.35773	1.7
502.06985	1.0
503.35031	1.2
511.37689	1.6
521.36224	9.2
527.37402	2.6
529.38715	6.7
539.37292	100.0
540.37421	1.7
557.38312	59.2
558.39093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.5
55.05516	9.3
57.07053	3.0
67.05183	2.4
67.05498	20.7
69.03414	2.1
69.07048	8.9
71.04965	3.0
71.08674	2.2
72.72936	1.8
79.05485	12.3
81.03393	3.2
81.07044	16.6
83.08611	8.2
85.10197	2.6
90.76890	1.9
91.05459	18.3
92.50696	1.9
93.07042	20.7
95.04961	7.5
95.08594	19.0
97.06547	4.9
97.10143	5.6
98.20543	4.5
98.98463	3.9
105.07016	21.6
107.04915	4.2
107.08568	22.8
109.06490	2.0
109.10149	17.9
111.08058	6.8
113.04050	2.3
116.92168	1.9
117.07007	9.4
119.08577	26.7
121.06489	4.7
121.10125	21.3
123.08062	3.0
123.11697	4.7
128.06133	2.9
129.06956	4.8
130.30569	2.0
131.08549	12.6
133.06468	6.3
133.10107	18.6
135.07988	3.1
135.11691	10.1
137.09593	2.4
141.07042	2.5
143.08519	12.0
145.06538	2.3
145.10115	19.7
147.08058	4.2
147.11664	15.6
149.09546	10.2
149.13234	6.7
151.11197	2.5
155.08501	5.6
157.10094	12.9
159.08008	2.2
159.11641	14.3
161.09618	2.3
161.13255	14.1
163.11176	3.3
163.14850	3.9
167.10645	2.8
169.10095	10.2
170.10912	3.6
171.11688	15.3
173.09608	2.0
173.13239	14.1
175.14806	6.0
181.10117	5.0
183.11691	8.7
185.13200	14.0
187.11145	4.2
187.14835	10.3
189.16374	3.5
193.12160	2.6
195.11562	4.6
196.12466	1.9
197.13313	7.0
199.14819	7.5
201.16365	5.2
209.13304	4.1
211.14767	8.5
213.16357	10.2
215.14381	3.7
215.17940	4.2
219.13748	2.9
221.13091	3.0
223.14832	5.9
225.16380	5.3
227.17839	2.8
235.14743	4.3
237.16393	5.2
239.17969	14.7
241.15852	2.7
241.19519	2.8
245.15320	2.5
249.16313	3.9
251.17963	4.9
253.19551	5.0
259.17172	2.6
263.17902	2.3
265.19687	2.5
267.17563	2.0
267.20959	4.3
273.18475	3.6
285.18381	3.6
297.18399	2.7
299.20044	4.0
331.23108	2.7
361.28995	3.4
373.28802	7.6
389.28433	9.2
391.29904	5.7
401.28366	6.5
407.29404	15.4
419.29471	20.0
421.30682	4.2
423.27448	3.8
433.31061	3.7
435.28998	16.7
437.30566	16.7
447.28763	9.1
465.29965	100.0
466.30164	5.3
467.31570	6.3
479.31387	6.2
483.31100	3.9
497.32425	8.9
525.35455	2.8
539.33575	3.6
557.21869	6.5
557.34753	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	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.7
52.14765	1.0
53.03926	3.6
54.08696	0.9
55.01846	4.0
55.05502	16.7
57.03432	5.6
57.07066	2.3
60.82471	0.9
65.03922	2.4
67.05493	35.3
68.10983	1.1
69.03383	1.3
69.07056	16.3
69.55732	9.7
71.04994	2.8
71.08599	1.1
76.71049	0.9
77.03889	1.0
79.05480	30.2
80.73241	1.0
81.03407	2.7
81.07043	40.4
83.04961	4.4
83.08611	9.1
85.06531	3.2
91.05464	36.2
93.07030	31.4
95.04953	7.8
95.08593	27.8
97.06528	3.7
97.10143	4.9
98.20684	2.2
99.08119	1.2
99.20685	1.0
101.02217	1.0
103.05423	2.2
105.07014	36.5
105.07708	2.2
107.04939	3.9
107.08585	15.6
109.06501	3.2
109.10145	11.3
111.08062	2.1
115.05447	2.9
117.07005	13.7
119.08562	23.9
121.06541	1.0
121.10117	10.3
123.08055	3.6
123.11710	2.9
125.09624	2.6
128.06201	3.0
129.06981	17.3
130.07767	2.0
131.08548	25.8
131.81235	1.1
133.06450	1.2
133.10112	13.9
135.08061	3.1
135.11667	10.1
137.09601	2.3
139.11220	1.2
141.06978	6.3
142.07748	5.3
143.08545	20.2
144.09204	1.0
145.06456	1.4
145.10103	23.8
145.11215	1.9
147.08049	2.5
147.11653	16.0
149.09619	2.4
149.13280	3.0
151.11180	2.0
153.06976	1.5
154.07797	2.0
155.08540	17.9
156.09315	2.1
157.10114	19.7
159.08047	1.7
159.11678	17.6
161.09695	1.6
161.13239	11.9
163.11180	1.3
163.14783	1.4
165.07024	1.5
167.08563	9.7
168.09290	1.9
169.10112	17.9
171.08020	1.3
171.11661	21.2
173.09599	1.9
173.13249	10.5
175.14809	4.5
177.12788	2.0
179.08507	2.4
181.10098	13.3
182.10889	1.5
183.11650	15.1
185.13231	12.0
187.11182	1.8
187.14763	5.4
189.12802	3.0
193.10178	3.5
194.10941	1.4
195.11658	11.0
195.78346	1.0
197.13202	11.3
199.14809	9.5
201.16325	1.5
203.14262	2.0
205.10138	1.5
207.11702	3.2
207.13879	3.0
209.13231	9.6
211.14781	8.2
213.16348	7.8
218.35201	1.1
219.11655	1.9
221.13255	4.1
223.14844	4.9
225.12852	1.4
225.16417	3.7
227.17915	1.7
229.16005	1.6
231.17354	2.4
233.13222	1.6
235.14861	2.6
235.17026	1.4
237.16370	2.7
239.18047	2.9
241.19495	9.0
247.17015	1.6
249.16341	1.8
249.18634	1.3
257.19092	2.0
259.20551	14.8
263.17932	1.5
269.22937	1.1
273.18768	1.2
273.21857	1.3
279.16010	3.4
281.17395	10.3
285.18842	1.4
285.22055	1.2
297.18625	1.3
297.22101	1.8
309.22040	2.0
311.20160	1.6
313.21786	2.1
315.23291	1.6
321.22079	1.5
323.23721	2.8
325.21854	1.4
327.23260	1.3
333.24268	6.4
335.23526	2.5
339.23203	1.5
341.24600	2.3
349.25436	1.8
353.24783	2.1
419.33197	3.8
429.31674	3.6
435.32831	1.3
437.34186	8.5
447.32535	21.2
465.33578	24.4
465.39844	2.0
483.34573	13.2
501.35809	3.9
503.34967	1.4
511.37982	1.8
521.35968	7.1
527.37335	2.9
529.38617	5.2
539.37274	100.0
540.37244	2.0
550.92975	1.2
557.38373	51.9
558.38794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01865	5.9
55.05503	23.3
56.96121	0.7
57.03436	4.6
57.03661	0.9
59.04992	0.8
60.24650	0.7
60.68874	0.7
61.34591	0.7
63.49860	0.6
65.03940	0.9
67.05494	30.4
69.03413	5.6
69.07055	17.2
69.61344	3.5
69.61769	2.9
71.04980	2.5
79.05483	27.9
81.03408	38.7
81.07043	25.3
81.07521	1.1
83.04958	4.9
83.08604	14.3
83.09368	0.9
85.06509	0.9
91.04905	1.5
91.05466	23.9
93.07030	19.3
94.04152	0.8
95.04379	1.4
95.04953	19.6
95.08589	13.1
97.02881	6.1
97.06514	4.0
97.10153	15.7
99.08090	1.1
100.60222	0.9
103.05450	2.2
105.03353	0.8
105.07019	18.1
107.04933	12.1
107.08576	17.4
109.06501	5.6
109.10146	9.8
111.04395	1.4
111.08076	3.9
115.05429	1.8
117.06995	9.9
119.04906	1.7
119.08559	12.5
121.06483	6.3
121.10106	7.3
123.04440	0.8
123.08064	4.4
123.11697	2.2
125.09611	12.4
128.06187	2.5
129.06990	10.2
131.04863	1.3
131.08542	11.3
133.06483	4.3
133.10104	7.6
135.08034	6.1
135.11664	2.1
137.09598	4.1
141.07004	1.9
142.07738	2.4
143.08562	6.3
144.09154	0.8
145.06447	5.8
145.10100	8.5
147.08014	7.0
147.11682	4.7
149.09602	4.8
149.13214	1.8
151.11198	1.4
153.09116	2.0
155.08546	2.5
157.10056	5.4
158.07283	0.9
159.08054	3.6
159.11667	4.6
161.09596	3.8
161.13229	0.9
163.11153	2.7
165.09157	1.2
167.08588	1.4
169.10124	2.0
171.08037	2.2
171.10205	1.1
171.11708	2.2
173.09628	2.1
173.13240	1.8
175.11157	4.9
177.12744	1.1
181.10072	1.3
183.11700	2.1
185.09465	1.5
185.13292	1.9
187.11234	1.8
189.09572	1.1
189.11217	7.3
189.12688	1.4
191.14284	1.0
193.12202	10.3
197.13321	0.9
199.11130	1.6
201.12758	2.7
203.10620	1.2
203.14273	1.1
205.12204	2.2
207.13763	0.8
219.13794	9.2
223.13232	8.7
227.12648	8.5
243.13934	1.2
245.15401	1.6
245.19044	1.3
249.14909	3.0
253.14290	1.7
263.19986	1.0
265.18121	0.9
267.15909	2.6
271.17010	1.0
273.18451	9.2
275.20145	1.3
287.20044	0.9
291.19492	43.5
292.19955	1.7
295.20386	1.0
295.52512	0.9
297.18420	1.6
313.18088	1.2
313.21570	7.8
315.19580	1.9
329.21033	0.9
331.22449	0.8
347.22281	2.2
351.23224	0.9
353.21347	1.0
369.24234	1.1
371.22379	0.8
385.24246	1.0
385.29984	0.8
398.27420	0.9
429.27707	1.2
445.25711	5.5
447.28769	2.8
459.27353	2.6
465.29907	7.4
483.30798	4.6
521.32916	1.5
539.33551	19.0
540.34094	1.5
557.34674	100.0
558.35065	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	557.2221
Annotation	Amritoside A
Peak:m/z	Relative Intensity
51.02377	3.8
53.03932	8.7
55.01855	12.8
55.05500	12.3
55.56357	2.8
57.03423	9.3
61.02917	3.3
65.95653	3.0
67.05506	18.6
67.66302	3.0
69.03420	43.3
69.07069	20.3
69.38390	2.9
69.63051	7.5
69.63471	20.0
70.06589	12.6
71.04971	13.4
73.02901	6.7
79.05134	2.8
79.05493	28.8
81.03411	51.2
81.06644	3.5
81.07053	29.7
83.04977	26.1
84.08157	6.8
85.02897	58.6
85.06509	8.5
86.09696	6.1
87.36418	2.8
87.59995	3.4
91.05471	28.2
93.07038	47.0
94.06480	3.0
95.04964	38.9
95.08577	9.6
97.02426	2.6
97.02898	28.7
97.06516	35.6
99.04455	23.3
100.11244	6.2
103.05441	6.8
104.10715	7.9
105.07019	63.3
107.04937	19.8
107.08591	31.0
109.02870	38.8
109.06504	29.4
111.04430	12.6
114.09113	6.3
117.07001	21.6
118.96716	3.1
119.04929	10.6
119.08560	22.8
121.06485	30.2
121.10109	14.3
122.05979	6.4
123.04388	12.0
125.02334	4.8
125.05957	20.4
126.05521	3.5
127.03903	45.4
127.07521	9.3
128.06184	5.6
129.06981	9.7
130.07770	6.0
130.08633	16.2
131.04909	7.0
131.08548	18.5
133.06447	15.8
133.10126	9.4
135.04387	14.0
135.08022	15.5
135.11668	13.0
136.07541	8.7
137.05952	27.2
138.09077	5.0
139.03874	4.3
139.07529	5.8
141.06934	4.9
143.07016	9.3
143.08557	18.8
144.09309	5.3
145.04956	8.5
145.06462	13.2
145.10117	83.1
147.04401	8.6
147.08055	13.3
147.11719	7.3
149.05988	6.7
149.09543	5.5
151.03882	7.5
151.07570	9.6
152.96327	2.9
153.05402	4.2
154.04991	8.1
154.07707	6.4
155.07019	5.9
155.08504	5.2
157.10106	9.8
158.07262	6.3
159.08005	13.4
159.11691	32.5
161.05937	9.6
161.09613	9.6
161.13271	4.9
163.03883	9.5
163.07526	6.2
163.11163	100.0
164.04193	5.6
164.07074	14.2
165.09109	4.0
167.07079	5.5
169.06354	4.2
169.10162	15.4
171.07967	5.0
173.04601	4.6
173.05997	6.8
173.09596	42.3
173.13176	5.6
175.03909	5.7
175.07544	8.2
177.05486	7.0
177.09079	5.0
181.08597	3.5
181.12170	4.2
183.11586	5.5
185.09579	6.2
187.05965	4.4
187.07527	8.7
187.11171	67.8
189.05450	3.8
189.09085	12.1
189.12810	4.2
191.07036	3.9
191.10629	40.2
193.05113	3.1
197.09534	14.5
199.07530	7.3
199.11185	3.9
201.09071	6.9
202.10826	3.4
203.10744	5.0
205.12196	26.6
207.06541	7.2
207.10103	4.6
209.09811	3.6
209.11690	8.3
210.14935	3.8
211.11104	4.7
211.87189	3.4
213.09105	6.9
215.07031	8.1
215.10657	62.2
217.12187	3.9
219.10136	6.3
225.12692	3.3
227.12660	6.1
229.12210	9.8
231.10101	5.0
233.11720	74.8
241.12128	4.3
251.12767	26.6
253.12329	8.1
257.11801	3.7
259.09564	9.5
269.11417	5.2
271.13263	5.1
273.14999	4.8
275.12857	3.7
281.11804	3.6
293.14072	3.8
299.12802	5.1
313.14392	5.2
317.13959	4.7
331.15259	10.3
335.14883	8.4
340.13693	4.9
341.13705	11.4
349.16476	9.0
353.16028	4.8
359.14914	23.8
367.17496	4.2
377.15857	49.3
395.16965	56.1
395.21655	5.4
417.15994	3.5
453.34326	7.2
454.34854	4.9
503.18655	8.2
513.25238	4.9
521.20020	11.1
525.20551	5.2
539.20978	21.4
557.22742	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	556.5294
Annotation	N-(palmitoyl)-phytoceramide
Peak:m/z	Relative Intensity
55.05502	4.2
57.03424	0.8
57.07069	13.7
58.06587	1.4
64.15910	0.5
64.26461	0.5
67.05492	4.7
69.07060	5.8
70.06581	13.7
71.08625	7.5
72.08154	1.6
73.02907	1.8
79.05479	1.6
81.07047	6.6
83.08605	4.6
84.08126	1.8
85.06524	0.5
85.10178	2.6
86.09688	2.1
87.04470	0.7
88.07615	6.2
89.06027	3.2
91.05467	1.2
93.07025	3.5
95.08594	5.7
97.06513	0.8
97.10162	1.8
102.09151	4.2
105.07025	1.9
107.08569	2.3
109.10142	3.2
111.08102	0.7
119.08577	1.4
121.10146	1.5
123.11702	1.2
130.08737	0.5
132.07115	0.5
132.10182	5.4
133.08578	2.4
133.10089	0.8
135.11693	1.2
137.13269	0.5
145.10173	0.8
146.11746	5.7
147.11661	0.7
149.13261	1.6
157.10220	0.6
159.11702	0.7
160.91899	0.5
161.13245	0.6
167.14291	0.6
177.11252	0.7
212.23767	2.0
228.23172	1.0
238.25287	1.4
246.46693	0.5
256.26328	11.5
259.19055	5.6
272.25806	1.8
283.15228	0.7
283.26291	44.0
284.26715	1.0
300.28931	24.2
301.29193	0.9
311.29407	3.0
313.27338	0.8
318.30054	1.6
337.27164	3.0
371.22836	1.1
428.63321	0.7
494.49078	0.8
500.69815	0.6
511.02017	0.5
521.42566	2.4
522.42578	0.6
538.52118	0.7
556.52942	100.0
557.53503	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	556.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
54.02738	1.2
55.01855	3.1
57.03434	1.6
60.66189	1.3
65.03927	1.8
69.03402	4.3
69.57868	5.0
69.58290	6.5
70.06569	3.5
72.08141	4.1
79.05465	5.6
81.03417	6.0
84.04491	1.3
84.08146	1.5
85.02919	6.3
85.06514	1.2
86.09679	3.0
87.04452	1.6
89.03889	4.3
91.05466	26.6
93.07022	2.1
95.04967	2.5
97.02859	3.5
103.05472	8.5
104.07086	3.2
105.03345	5.9
105.07000	8.4
107.04957	6.6
109.02860	3.5
109.06496	6.6
110.87078	1.3
114.09134	4.7
115.05435	3.1
117.03399	5.8
117.07018	1.5
119.04926	38.8
119.08535	1.9
120.08048	1.9
121.06476	6.0
122.03637	2.1
123.08045	3.5
124.05221	1.4
127.03905	2.9
128.06204	2.0
129.06985	2.2
130.04141	2.1
130.08614	4.4
131.04933	14.4
133.02853	2.0
133.06497	8.1
135.04391	14.1
136.03967	2.4
136.05226	1.5
137.05960	87.7
142.41200	1.3
145.02834	10.8
145.06477	2.3
146.08046	3.7
146.09143	1.4
147.04381	20.6
147.08018	3.4
149.05983	6.8
151.07544	15.9
154.04922	1.5
157.06490	4.6
159.08054	3.2
160.09608	1.4
161.05962	27.3
162.06731	12.0
162.63634	1.4
163.03888	100.0
163.07526	16.4
164.04253	1.4
167.07013	7.0
172.05177	1.2
173.05823	1.9
175.03972	1.7
175.07515	25.3
177.05482	3.1
177.09062	1.1
178.08606	5.7
179.07022	20.3
180.07713	1.1
181.04904	4.6
181.08566	2.7
185.35336	1.2
185.99178	1.3
187.07509	13.5
189.09082	4.1
191.08592	2.8
191.54713	1.3
193.08621	9.6
203.08479	2.0
205.08542	15.5
207.08131	1.6
217.08647	1.9
219.08151	3.1
220.08827	1.4
231.07983	1.7
234.78563	1.5
235.07425	1.5
235.09587	5.4
237.64540	1.4
247.07443	2.5
251.10608	2.7
259.07690	2.2
268.10950	2.8
276.62183	2.1
279.10132	5.5
285.13513	7.4
285.63675	4.3
286.14038	1.6
291.10138	3.2
296.10428	1.7
297.11197	1.4
307.08115	3.1
309.11160	11.4
310.11816	1.3
311.12796	8.9
313.14209	2.0
323.12643	3.8
325.09109	5.5
327.12308	1.7
329.13803	5.1
341.13782	9.1
347.14728	9.5
349.21814	1.2
359.14554	1.6
394.14633	1.2
556.22076	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	556.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78168	2.0
53.03933	3.6
55.01841	3.2
55.05262	3.1
55.05502	36.3
57.03427	15.1
57.07068	19.3
58.74521	1.9
59.17146	2.5
59.63226	2.2
59.85851	2.2
66.30203	1.9
67.05482	23.2
69.03390	3.2
69.07057	42.5
71.04967	4.7
71.08608	9.5
71.81419	4.5
72.57835	2.1
73.94356	2.0
74.09709	7.9
79.05475	20.3
81.03404	47.2
81.07040	36.3
83.04969	10.7
83.08599	48.8
84.22171	2.2
85.02888	21.6
85.10178	2.5
89.06017	17.6
91.05466	25.0
93.07030	20.8
95.04945	19.9
95.08602	13.0
97.02863	3.2
97.06504	5.9
97.10147	26.9
104.07219	2.3
105.07006	20.6
107.04901	3.2
107.08570	7.8
109.06505	3.5
109.10142	3.5
111.04434	2.7
111.08062	11.1
111.11675	5.6
119.08550	15.5
121.06450	2.7
121.10113	10.9
123.11679	4.8
129.06990	7.8
131.08530	8.6
133.08569	8.2
133.10129	5.5
135.11671	6.3
139.40358	2.2
141.10739	2.6
147.08046	3.3
147.11646	12.0
149.09532	4.8
157.10083	9.3
175.11153	10.2
193.12193	30.6
211.13264	40.2
234.80045	2.5
237.22194	3.3
256.26395	4.0
267.15854	17.4
282.59695	2.4
283.26202	7.5
285.16891	52.7
300.28726	3.9
311.25784	81.9
311.29178	5.1
371.22635	8.7
503.36984	13.8
521.38300	100.0
556.52844	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	556.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05500	33.3
57.03427	14.5
57.07067	17.7
67.05489	16.1
69.03409	1.9
69.06732	2.4
69.07058	27.4
69.81041	10.1
70.06552	2.5
71.04968	4.8
71.08629	8.7
73.54548	1.4
79.05482	14.2
81.03401	38.5
81.07044	20.2
83.04953	9.8
83.08604	40.3
85.02885	19.4
85.06513	1.9
85.10162	2.9
89.06014	10.8
91.05454	12.3
93.07011	14.4
95.04451	2.0
95.04957	18.7
95.08588	8.9
97.02907	1.7
97.06517	3.3
97.10159	20.1
105.07029	11.6
107.04908	3.9
107.08565	4.7
109.06469	3.2
109.10129	4.3
111.04397	2.0
111.08049	6.7
111.11697	5.3
119.04848	1.6
119.08567	11.9
121.10132	8.6
123.11690	2.7
125.09594	2.0
129.06990	6.0
131.08536	4.8
133.08563	6.9
133.10110	5.4
135.11661	2.8
142.07826	1.7
147.08043	2.1
147.11664	9.5
149.09592	4.4
150.45729	1.5
157.10132	8.6
165.12715	2.3
175.11206	9.3
177.11235	2.5
183.65382	1.6
193.12190	27.0
211.13264	33.6
249.04733	1.6
256.26245	3.1
267.15891	10.4
283.26318	13.3
285.16940	35.6
295.34836	1.6
300.28870	3.3
303.69025	1.7
311.25772	65.5
311.29297	3.4
312.25812	2.5
371.22678	3.3
376.91235	2.0
503.36984	5.7
521.38293	100.0
522.38574	3.8
556.53027	18.9
558.22186	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.0
55.05503	26.5
55.17900	2.7
57.03419	12.2
57.07062	14.5
67.05492	15.1
69.07066	31.3
70.97137	5.5
70.97492	7.1
71.08614	10.4
79.05486	22.5
81.07044	15.5
83.08611	34.3
85.10158	4.0
91.05494	8.4
93.07028	32.9
95.08596	30.9
97.02879	5.9
97.06550	4.4
97.10155	21.5
105.07035	6.3
107.04934	4.5
107.08579	26.4
109.10136	6.4
111.11703	4.8
117.07026	7.2
119.08571	7.2
121.06446	3.2
121.10124	13.4
133.08575	2.8
133.10097	4.8
135.11662	35.3
143.08562	3.3
145.10095	25.9
146.46954	3.0
149.13313	3.2
163.11165	43.1
181.12256	4.6
194.66399	2.9
227.12721	57.2
237.22070	3.0
238.40564	2.8
261.21280	3.5
283.15366	38.0
285.21509	2.9
311.25772	90.3
326.91260	3.0
372.55011	3.0
519.36737	100.0
521.15790	3.4
535.77521	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	555.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.0
55.21346	1.2
55.45922	1.0
57.07090	1.5
57.83006	1.2
59.04988	1.1
67.05499	9.5
69.03416	1.2
69.07056	7.4
70.16487	5.4
71.04977	1.1
75.48663	1.1
79.05492	9.0
81.07056	13.7
83.04967	1.6
83.08607	6.2
90.04963	1.1
91.05476	14.3
93.07034	18.6
95.04939	3.5
95.08595	17.3
97.06515	4.2
97.10153	2.0
103.05450	2.0
105.07017	21.8
107.04930	1.1
107.08585	28.6
109.06488	2.4
109.10142	11.6
111.08042	1.6
115.05443	1.7
117.06996	7.9
119.08569	37.4
121.06464	3.1
121.10126	28.1
123.08021	3.6
123.11694	3.0
125.09587	1.4
129.06119	1.6
129.06955	6.8
130.07715	1.1
131.08546	19.1
133.06462	7.8
133.10110	23.7
135.08014	1.9
135.11681	10.9
137.09546	2.5
141.07016	3.3
142.07755	3.7
143.08565	10.7
144.09303	3.8
145.06453	1.4
145.10109	21.6
147.08035	10.6
147.11655	15.1
149.09596	4.7
149.13235	6.3
151.11230	2.6
153.09082	1.5
155.08545	8.2
156.09294	6.6
157.10124	21.7
158.10843	2.2
159.08070	3.2
159.11676	26.5
161.09598	5.6
161.13222	10.3
163.11194	5.7
163.14816	2.8
165.09123	3.2
167.08539	4.3
167.10628	2.5
168.09319	1.5
169.08801	1.9
169.10107	16.8
170.10881	13.0
171.11678	24.6
173.09624	4.2
173.13242	27.6
175.11162	5.2
175.14754	6.0
177.12750	2.0
179.08492	3.3
179.10637	2.8
180.09349	1.3
181.10065	8.3
181.12198	2.8
182.10890	2.0
183.11673	25.4
184.12421	5.2
185.09671	2.4
185.13239	53.8
186.13910	1.3
187.11166	5.1
187.14772	11.9
189.12720	3.3
189.16389	2.2
191.10666	2.0
191.14304	4.7
193.10081	3.5
193.11978	1.0
193.16066	1.4
194.10884	2.4
195.11662	6.6
196.12462	6.1
197.09615	1.5
197.13213	9.5
199.11208	5.1
199.14792	11.4
201.12743	10.9
201.16328	5.7
203.10652	1.2
203.14264	2.6
205.10283	1.6
205.12178	3.1
206.10846	1.9
207.11707	5.0
208.12483	2.5
209.13254	8.9
210.14035	2.6
211.11217	3.1
211.14795	20.8
213.12750	4.4
213.16356	7.4
215.10594	1.3
217.12216	1.9
217.15746	9.0
219.11681	2.8
219.13771	5.4
219.17352	2.1
220.12402	2.1
221.13318	5.6
221.15097	1.2
222.14128	1.3
223.14772	7.7
225.12721	1.4
225.16391	9.0
227.14389	2.7
227.17949	4.6
229.12241	2.0
229.15877	2.9
231.11623	2.3
231.13748	1.8
233.13144	2.7
233.15324	3.1
234.13969	1.6
235.14864	8.3
237.12762	2.5
237.16371	7.1
239.14314	3.1
239.17874	7.9
241.15919	2.5
241.19460	1.7
243.13808	9.9
243.17389	5.4
245.13206	2.2
245.15395	6.7
246.13882	1.6
247.14777	5.4
249.16318	4.8
251.14220	2.1
251.17908	5.5
253.15871	2.6
253.19467	2.4
255.17476	2.5
255.21069	4.0
257.15518	1.4
259.14789	2.6
260.15625	1.6
261.16373	3.7
263.16245	2.4
265.15765	2.1
265.19528	3.9
267.17447	3.2
269.15253	2.1
269.18994	2.1
271.16913	6.4
272.15399	1.3
273.16116	1.7
273.18701	2.1
275.17896	3.9
277.19562	1.8
281.18808	1.4
283.17224	1.4
283.20523	3.3
285.18503	5.0
287.17868	3.1
289.17999	3.9
295.16943	2.1
297.18588	2.0
297.21872	1.7
301.19238	2.6
303.21060	1.8
311.20087	2.3
313.18024	2.5
315.20578	1.4
317.22150	1.5
327.20062	1.6
329.22360	2.0
332.58972	1.3
335.19958	1.7
341.22543	1.5
361.21509	1.3
361.28931	2.9
371.27286	14.4
375.23471	1.3
381.25482	1.8
389.24643	1.7
389.28497	13.9
399.26779	13.9
400.27020	1.5
405.27582	1.3
407.29453	5.9
417.27850	38.5
419.29416	1.3
421.30811	1.7
427.26349	2.6
431.29483	13.9
435.28976	53.2
445.27353	18.6
449.30539	7.0
459.28455	1.9
463.28409	57.1
467.31726	2.0
477.29953	33.5
481.29413	2.6
491.31436	3.6
495.31012	100.0
509.32541	6.9
523.30591	13.4
537.32208	4.2
555.23749	2.4
555.33057	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74036	0.2
55.05492	1.0
57.07058	1.1
65.03920	0.5
67.05493	4.3
68.05014	0.7
68.99776	0.6
69.03417	1.5
69.07054	1.3
70.02944	2.5
70.06580	10.2
71.08613	0.6
71.11421	0.6
71.11774	0.4
72.04501	0.8
78.28639	0.2
78.40688	0.2
79.05482	3.3
80.05014	0.3
81.03406	0.5
81.07044	4.4
82.06570	1.4
83.08588	1.0
84.08105	0.3
86.06053	1.9
87.04452	6.2
91.05463	2.2
93.07027	5.7
94.06577	0.4
95.04935	0.7
95.08592	8.0
97.10168	0.6
98.06045	1.1
98.98447	2.4
105.07023	3.8
107.08575	10.3
109.06471	0.5
109.10148	3.3
110.06027	5.0
112.07603	2.5
117.06995	0.5
119.08564	4.6
121.10126	12.0
123.08047	0.8
123.11691	2.7
129.07037	0.4
130.08653	0.4
131.08566	2.4
133.10112	3.8
133.28922	0.2
135.11662	2.5
137.13185	0.4
138.05478	52.3
139.05852	0.5
143.08525	0.9
145.10117	2.1
147.11649	2.4
148.11156	1.3
149.09593	0.3
149.13248	1.1
152.10645	0.3
155.01025	2.7
156.06526	28.0
157.10100	1.1
159.11641	1.8
161.13252	1.1
163.07652	0.4
163.14822	1.1
164.10669	0.8
165.09061	0.3
170.11745	0.7
171.11642	1.2
173.13196	1.8
175.14819	2.5
177.12720	0.3
177.16373	0.7
182.11758	1.4
183.11812	0.3
185.13197	1.4
187.14799	3.0
189.16328	1.7
191.14240	0.2
197.13210	0.4
199.14790	1.3
200.12816	2.5
201.16344	1.9
203.14247	0.3
203.17911	0.3
207.23387	0.3
213.16382	1.1
215.17953	0.7
216.13954	0.3
225.16336	0.4
227.17914	0.6
229.19508	0.4
234.14925	0.5
239.17972	0.6
245.15376	0.4
250.14355	1.0
253.19571	0.5
257.57120	0.2
259.16949	0.3
267.21008	0.3
273.18460	0.4
275.20029	0.3
287.19809	0.3
291.19742	0.3
309.25839	2.7
313.27359	1.9
355.26294	2.3
468.34540	0.6
536.37170	0.7
554.38336	100.0
555.38629	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	554.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01847	0.6
55.05505	2.7
57.03415	0.3
58.06585	0.5
61.02920	0.3
68.99780	1.1
69.03419	3.7
70.06583	1.5
71.04966	1.0
71.79016	0.5
72.08146	0.8
81.03416	3.7
82.06565	0.4
83.74181	0.3
84.08134	2.9
85.02901	4.4
87.00807	1.1
87.04446	0.3
91.05453	0.4
93.59327	0.2
95.04955	0.4
97.02881	3.2
99.04437	1.7
105.07030	0.4
105.63909	0.3
107.04964	0.3
108.15318	0.3
109.02863	6.6
110.06036	0.6
112.07593	5.9
114.09153	0.9
114.10278	0.3
116.22063	0.3
119.04938	0.6
123.04422	0.8
125.05964	0.3
127.03902	7.1
129.01797	0.4
130.08627	100.0
131.04942	0.4
131.08992	0.7
137.05965	0.8
139.03906	0.6
143.75951	0.3
145.04958	1.6
147.04358	1.8
147.08041	0.3
148.04691	0.3
149.05978	0.3
151.03961	0.4
152.07092	0.4
163.03989	0.7
167.07021	0.8
171.03104	0.3
172.09619	0.3
175.03960	0.3
177.05580	0.3
193.51027	0.3
195.02892	1.6
208.95776	0.3
213.03932	2.3
231.05038	1.1
245.06544	1.1
277.16550	1.4
292.13864	1.6
339.06961	0.4
357.07953	0.4
360.12857	5.2
378.13794	2.5
420.14987	2.5
458.83630	0.3
486.16037	4.9
504.17139	6.4
522.18152	2.6
554.20990	0.9
554.32715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.2
55.01865	0.3
55.05501	1.7
57.07070	0.6
58.06587	0.2
59.92447	0.1
61.02931	0.2
67.05496	1.5
69.03419	0.6
69.06680	0.3
69.07060	5.6
69.61544	1.4
70.06586	0.4
71.05034	0.1
72.76668	0.1
73.02927	0.2
79.05484	1.0
81.03415	0.6
81.07044	2.1
82.85373	0.2
83.01308	0.1
83.08611	1.1
84.08135	0.2
85.02898	2.2
85.06555	0.3
86.09702	0.2
91.03941	0.2
91.05467	1.9
93.07030	1.3
95.04971	0.3
95.08596	5.3
95.73895	0.2
97.02879	0.7
99.04440	0.2
103.05453	0.4
105.03371	0.2
105.07021	5.8
107.04900	0.2
107.08597	2.0
109.02876	0.4
109.06508	0.3
109.10148	5.2
117.07016	0.6
119.08569	25.4
120.08080	0.2
120.08891	0.2
121.10152	1.7
123.08038	0.3
123.11675	0.3
127.03914	0.5
131.04955	0.3
131.08548	0.6
133.10115	23.4
134.10664	0.2
135.04350	0.2
135.11665	1.9
136.03917	0.3
137.06004	0.3
137.09602	2.5
144.09512	0.2
145.02832	0.5
145.04932	0.5
145.10103	1.3
146.10902	0.4
147.04395	0.5
147.11676	4.1
149.05984	0.2
149.13284	0.5
151.14842	0.7
159.11578	0.2
160.12450	0.9
161.05971	0.2
163.03905	0.4
173.13251	0.8
175.03896	0.5
175.14804	100.0
176.15143	1.6
177.05463	0.9
177.16389	0.7
179.07059	0.2
179.82527	0.2
181.04990	0.2
184.09685	0.2
191.06900	0.2
193.15866	17.5
193.24242	0.2
194.16216	0.3
207.06473	1.0
277.16727	0.2
285.13516	0.2
368.25452	0.1
534.29230	0.3
535.18884	0.3
539.41711	0.2
552.18652	0.8
559.72656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01865	0.9
55.05500	9.3
57.03422	4.5
57.07066	25.6
61.55139	0.5
64.09936	0.5
65.03929	0.9
66.13487	0.5
67.05497	17.8
69.03415	2.3
69.06683	0.5
69.07057	7.5
69.85107	3.7
70.33410	0.4
71.04977	2.1
71.08619	18.2
74.28906	0.4
79.05478	8.6
81.03409	28.4
81.07043	21.1
83.04968	4.2
83.08608	14.6
85.02891	13.3
85.06509	1.3
85.10173	9.8
91.05472	12.0
93.07020	6.6
93.07496	0.6
95.04951	10.8
95.08592	19.0
97.02892	1.1
97.06481	1.3
97.10146	6.7
99.08038	0.7
105.07010	9.4
107.04953	2.0
107.08561	2.6
109.06522	1.6
109.10139	7.6
111.04430	0.8
111.08076	3.7
111.11721	1.9
112.39860	0.5
113.05997	1.5
115.05454	0.9
117.07006	0.9
119.08557	7.7
121.10141	4.2
123.08060	1.4
123.11695	2.8
125.13194	0.7
129.06953	4.4
131.08557	4.9
133.06529	0.8
133.10094	3.3
137.13251	1.4
142.07776	1.3
145.10100	0.7
147.08058	1.4
147.11662	6.7
149.09642	2.7
157.10081	5.1
165.12738	1.5
175.11166	6.5
193.12221	25.8
196.46321	0.6
211.13263	33.7
249.14908	1.1
267.15814	7.7
267.26862	3.0
301.17603	0.5
341.30493	7.0
508.58701	0.5
533.42072	3.9
551.43005	100.0
552.43494	1.4
577.26855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
54.78781	1.9
55.01857	2.4
55.05506	13.4
55.10090	1.7
57.03429	18.5
57.07067	45.1
60.08143	2.7
65.80183	2.0
67.05499	22.4
69.07043	10.5
69.45749	2.1
71.08620	28.5
71.80061	2.9
74.78177	2.0
78.08119	1.8
79.05466	12.9
81.03405	88.5
81.07038	24.6
83.04963	5.0
83.08609	19.8
85.10159	16.4
86.09692	5.8
91.05456	16.0
93.07048	8.8
95.04967	23.7
95.08596	25.2
95.46680	1.7
97.02863	2.2
97.06501	3.7
97.10159	9.2
104.10745	7.3
105.07011	12.6
107.04947	3.8
107.08582	6.7
109.06520	4.0
109.10151	10.5
111.08079	7.1
111.11707	2.6
119.04915	2.7
119.08547	14.1
121.06465	2.8
121.10126	7.7
123.11716	4.6
124.99964	2.6
129.06990	8.2
131.08575	7.0
133.06464	2.6
133.10161	4.1
142.07767	3.3
143.54668	1.8
145.10039	3.2
147.08049	3.0
147.11714	5.5
149.09637	3.3
157.10129	7.6
162.08676	1.8
175.11226	6.2
184.07262	9.0
193.12230	37.9
211.13219	4.9
249.14676	3.6
267.15875	100.0
267.26813	2.8
298.04102	2.3
309.54227	2.0
341.30450	94.8
408.19147	2.1
533.41937	69.8
551.42828	10.3
552.40460	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	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01861	1.7
55.05501	14.4
57.07069	12.2
62.48454	1.5
65.03928	3.1
67.05496	28.6
69.07054	22.0
69.56189	16.4
70.06571	2.1
71.08627	3.1
79.05479	20.1
81.03393	6.5
81.07044	39.8
83.08605	12.8
85.06526	3.5
85.10082	1.5
91.05463	33.4
93.07028	53.6
95.04953	7.9
95.08592	47.9
97.06518	3.1
97.10140	2.1
103.05405	2.2
105.04487	1.9
105.07008	57.0
107.08575	58.7
109.06483	3.1
109.10143	42.7
110.25897	1.6
111.08027	1.5
115.05511	2.3
117.06999	16.8
119.08564	100.0
120.13016	1.5
121.10127	51.5
121.10958	3.5
123.08118	2.7
123.11681	13.6
125.09543	2.1
128.06184	5.5
129.06982	7.1
130.07764	5.4
131.08556	27.1
133.10106	54.2
135.11671	41.1
137.09598	2.7
139.11183	2.1
141.06944	3.8
142.07758	8.2
143.08565	19.8
144.09317	7.4
145.10101	65.2
147.11673	22.5
149.09563	3.5
149.13237	7.1
151.14857	2.0
155.08566	7.6
156.09326	7.5
157.10103	36.9
158.10840	5.4
159.11664	34.6
161.13239	13.5
163.11188	2.7
163.14769	3.3
167.08568	3.7
168.09329	2.7
169.10109	15.6
170.10889	5.1
171.11664	23.6
173.13229	24.1
175.14795	41.3
179.08606	4.2
180.09323	1.8
181.10085	7.2
182.10881	5.2
183.11649	16.2
185.13228	14.5
187.14769	17.4
189.16373	3.8
193.10130	5.5
193.12202	3.7
193.15895	3.4
194.10818	3.6
195.11713	9.1
196.12444	3.5
197.13264	18.1
199.14758	8.8
201.16353	15.3
206.10838	2.2
207.11665	5.1
208.12465	2.8
209.13246	10.1
210.14136	2.5
211.13124	2.3
211.14822	13.2
213.16365	8.0
219.17398	4.1
220.12476	2.0
221.13214	7.5
222.14110	2.5
223.14754	9.9
225.16371	6.2
233.13191	4.0
235.14787	5.4
237.16351	7.4
239.17876	5.3
241.19482	4.9
247.14868	3.3
249.16455	3.7
251.18016	3.6
253.19508	5.2
257.18829	2.2
259.20660	3.4
263.17902	3.6
265.19583	6.2
267.15851	5.7
267.21024	7.2
275.17795	2.0
277.19498	3.0
283.20392	2.5
285.22131	4.5
289.19424	3.4
305.22598	1.9
319.23996	2.2
327.20740	2.2
331.23999	2.4
333.25775	2.1
337.25281	2.2
341.30579	3.5
345.25827	5.9
349.25027	2.0
386.51508	1.9
391.29803	2.0
429.31433	3.4
451.33173	1.8
459.36191	2.8
485.01941	1.9
495.35797	2.3
533.41376	5.3
543.12201	1.9
551.42554	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	551.3718
Annotation	Manzamine J
Peak:m/z	Relative Intensity
51.63877	1.2
53.03939	2.6
55.05503	8.4
57.03406	2.3
57.07041	1.7
64.28464	1.3
67.05499	13.5
69.03419	7.5
69.07057	12.1
71.04978	1.8
71.78868	1.4
71.79239	1.7
73.02878	1.8
79.05478	11.5
81.03405	13.4
81.06589	2.2
81.07044	24.5
83.04964	5.3
83.08611	4.1
85.02899	6.0
85.06527	1.7
91.05460	17.6
93.07031	33.2
93.96268	1.2
95.04942	7.7
95.08598	35.0
96.03808	1.1
97.02877	74.7
97.06490	2.2
97.10148	2.5
98.71953	1.3
102.56866	1.2
103.05482	1.3
105.07014	28.1
107.07893	2.8
107.08577	40.0
109.06504	4.8
109.10144	23.7
111.04372	1.2
111.08015	2.3
117.06986	5.4
119.08564	35.0
120.85258	1.4
121.06506	3.9
121.10123	35.2
122.84050	1.2
123.04396	1.5
123.08022	3.0
123.11691	15.7
128.06216	1.6
129.06993	3.9
131.08546	12.1
133.06467	2.1
133.10103	23.6
135.08047	4.8
135.11665	26.8
137.05998	3.8
137.09579	2.1
137.13254	4.7
139.07536	2.3
141.06963	1.9
142.07722	1.4
143.08548	6.7
145.06454	6.1
145.10112	14.5
147.08052	4.0
147.11682	14.0
149.09612	3.8
149.13255	9.0
151.07564	4.4
153.09032	1.4
155.08583	3.5
156.09370	1.9
157.10132	13.3
159.08035	7.0
159.11670	12.5
161.09598	6.3
161.13225	11.5
163.07510	4.4
163.11215	3.8
163.14806	6.0
168.09390	2.3
169.10143	4.1
171.06564	1.6
171.11714	8.7
173.09564	2.6
173.13242	11.8
175.11238	2.2
175.14822	4.9
177.09117	1.9
177.16367	2.8
179.10667	1.7
182.10913	1.6
183.11688	5.5
185.09705	1.6
185.13252	5.2
187.11176	10.1
187.14838	5.7
189.12758	3.0
189.16396	5.4
191.10655	2.9
191.14276	1.7
191.17932	6.1
195.11749	3.8
197.13231	5.2
199.11185	4.1
199.14845	5.2
201.12750	5.8
201.16396	3.3
203.10634	1.6
203.17929	5.3
205.12228	4.4
209.13307	2.8
213.12747	3.4
213.16443	2.9
215.17886	2.1
217.19533	2.0
219.13745	3.8
225.12701	1.6
225.16356	2.3
227.14313	2.5
229.19586	1.9
235.14903	1.5
237.16371	1.8
239.14343	1.8
243.13795	1.9
245.15427	2.6
255.21094	2.1
259.16910	1.5
303.23395	2.2
307.16977	1.8
315.23227	4.1
364.99463	1.5
393.31747	2.0
423.28925	1.7
435.32541	3.2
437.34225	2.2
453.33664	30.1
454.34134	2.1
455.35202	1.8
465.33621	1.7
467.35349	6.0
481.36575	1.9
491.35291	2.3
495.31003	2.2
505.36813	4.0
507.34714	2.4
509.36426	1.7
515.35046	6.8
521.36511	1.6
523.38092	3.4
533.36194	63.7
534.36517	3.5
551.37274	100.0
552.37628	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	551.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11325	0.3
63.63071	0.3
71.39831	0.6
71.40147	0.4
74.02455	0.4
91.05456	0.4
102.94207	0.3
102.94899	0.3
115.05431	1.0
117.05719	0.4
117.07007	1.2
118.06531	14.3
130.06502	1.1
132.08087	4.9
142.06500	1.3
143.07291	2.1
144.04437	0.4
144.08072	10.7
146.05991	54.4
147.06400	0.4
148.18407	0.3
159.09157	4.9
160.07610	0.7
170.05968	3.8
188.07050	100.0
189.07375	1.0
205.09708	55.5
206.10007	0.7
237.57449	0.3
253.53484	0.3
431.07007	0.4
511.54391	0.4
543.75861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14766	0.7
53.03947	1.5
55.01851	2.9
66.04710	1.1
69.03409	1.4
69.45195	6.0
69.45617	1.7
70.06551	1.1
71.05005	0.8
79.05481	8.9
81.03415	0.7
81.07043	0.8
85.02885	2.7
86.09681	1.2
89.03899	1.4
90.04710	0.7
91.05463	4.9
95.04940	2.4
97.02878	1.3
98.09649	0.9
98.20712	1.4
98.31889	0.6
99.04425	1.6
100.11244	2.0
102.04691	1.1
103.05458	20.3
105.03412	0.8
105.07019	69.6
107.04948	3.9
107.08650	0.8
108.05303	0.7
109.02867	1.5
114.09216	1.0
114.12841	0.7
115.05444	15.1
116.10696	0.8
117.03392	1.1
117.07017	0.8
118.04152	9.7
119.04915	2.3
127.03918	0.9
131.04912	11.6
132.05667	1.5
133.02885	1.7
133.06479	58.1
137.05959	2.7
143.04967	1.7
143.06030	3.7
145.02805	1.7
145.06487	1.4
147.04376	4.8
148.05171	6.9
161.05963	100.0
162.06651	0.8
163.03937	3.5
163.07526	12.3
167.06985	1.4
173.05960	1.6
175.03821	0.8
176.04593	1.6
177.05420	3.1
178.05823	1.8
179.06973	1.7
181.04955	1.4
191.07014	67.7
193.08585	48.6
207.06555	1.4
208.06975	1.2
227.16405	3.2
284.66220	0.8
388.17618	1.2
389.11896	0.7
389.17523	2.1
519.14990	0.8
551.18207	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	551.1026
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03936	1.4
53.25515	0.1
55.01865	1.8
57.03429	1.2
61.02916	1.1
63.48031	0.1
67.05472	0.2
68.99775	1.2
69.03418	6.0
70.06574	0.4
71.04990	0.9
71.78851	0.1
71.79267	0.2
72.08135	0.2
73.02905	1.5
81.03405	7.7
83.01318	0.3
85.02892	12.6
87.00815	5.3
87.04430	0.2
91.03930	0.8
91.05461	0.4
93.03348	0.2
95.04939	0.3
95.08591	0.2
96.08107	0.2
97.02877	4.5
99.04441	2.5
101.02394	0.2
103.05451	0.2
105.01850	2.7
105.06992	0.3
107.04929	0.2
109.02866	7.0
111.00793	0.8
111.04398	0.2
114.09154	1.1
114.12798	0.3
115.03934	0.3
115.05418	0.2
115.09504	0.1
116.07069	0.4
117.01820	0.8
117.06955	0.2
118.06536	0.2
119.04939	0.2
119.08535	0.2
121.02835	0.8
121.10147	0.2
122.05983	0.1
123.04411	0.2
123.08166	0.1
127.03896	10.7
129.01846	0.9
131.04880	0.2
133.06445	0.2
133.10080	0.3
135.04494	0.2
137.02319	2.6
137.03339	0.3
137.05934	0.8
145.02853	0.2
145.04933	3.2
145.06421	0.5
146.05998	0.3
147.02888	0.7
147.04242	0.1
149.02325	0.4
151.07484	0.2
152.07921	0.2
153.01799	3.2
155.04846	0.1
159.02870	4.6
159.04166	0.2
160.09660	0.5
161.05942	0.5
163.03877	0.9
164.83394	0.1
165.01787	1.9
166.02528	0.4
167.06992	0.5
173.05978	0.6
175.07437	0.1
177.05415	0.4
182.08469	0.1
183.02875	0.7
183.04288	0.2
187.03947	0.3
187.07700	0.2
188.07071	0.5
190.38768	0.1
191.07040	0.1
195.02806	0.3
201.05437	3.4
202.05878	0.2
208.04971	0.1
213.03818	0.3
213.05637	0.2
219.02864	0.2
219.06467	0.5
227.08310	0.2
228.04161	0.2
229.04951	3.7
231.04860	1.2
241.09654	0.2
247.05887	0.6
257.04395	2.5
274.04730	0.7
275.05499	0.3
283.10724	0.1
285.03906	1.0
303.04941	100.0
304.05307	0.6
305.93118	0.1
311.10135	0.2
324.21582	0.2
339.09616	0.1
345.06067	0.4
353.18689	0.2
411.06198	0.1
473.15747	0.2
483.13828	0.2
503.17444	0.2
514.26074	0.2
515.16846	0.2
515.26758	0.1
532.27057	0.2
533.18146	0.3
550.27728	0.2
550.36084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01853	0.4
57.03417	0.8
61.02909	0.8
67.05490	0.6
68.99783	0.6
69.03419	5.4
70.06573	1.3
71.04970	1.0
72.08151	0.7
73.02894	0.6
79.05456	0.5
81.03409	4.5
83.04972	0.4
85.02897	6.5
86.09705	0.6
87.00814	3.9
87.04442	0.5
89.03914	0.5
91.05458	0.7
93.07014	0.4
95.04951	0.5
95.08584	0.3
97.02880	8.4
99.04424	1.9
105.01833	1.7
105.07030	0.8
107.04942	0.6
107.08575	0.4
109.02853	2.2
111.00788	0.9
114.09149	0.8
114.10305	0.5
114.12783	0.7
115.03893	0.6
116.07061	0.5
117.03326	0.4
119.04906	0.5
120.08128	0.3
121.02829	0.9
123.04435	0.4
127.03891	6.3
130.08601	1.0
131.04926	0.6
133.06482	0.3
135.04353	1.5
137.02328	3.5
137.05998	1.5
145.02850	1.0
145.04953	2.3
145.06392	0.5
147.04384	1.1
149.02306	0.4
151.07529	0.9
153.01799	3.7
153.05452	0.5
155.04910	0.4
161.05951	1.2
161.15929	0.3
163.03894	8.4
163.07550	0.6
165.01813	1.9
165.05510	0.4
167.07047	1.3
173.05986	0.8
173.73753	0.4
175.03973	0.4
175.07532	0.6
177.05443	1.1
181.04916	0.9
181.08562	0.3
183.02861	0.8
187.03860	0.8
191.07021	0.3
195.02809	0.4
201.05429	2.6
205.04892	0.3
209.15372	0.5
219.02925	0.5
219.06441	0.8
226.14821	0.4
228.04111	0.4
229.04959	4.3
231.04907	1.8
232.00552	0.7
241.08488	0.3
247.05984	0.6
257.04431	2.3
259.09592	0.4
274.04788	0.7
285.03876	1.2
287.05472	2.0
303.04953	100.0
304.05341	1.2
371.14877	0.7
383.82651	0.4
411.94775	0.4
551.18597	0.5
551.26117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28511	2.0
53.03943	4.3
55.01854	8.3
55.05508	22.4
57.03430	22.0
57.07053	5.9
67.05496	84.3
69.07056	26.4
71.05009	4.5
71.08614	2.5
79.05030	2.5
79.05484	58.2
81.03433	10.9
81.07044	63.4
83.04966	16.3
83.08598	11.1
85.06544	6.4
91.05464	31.2
93.07034	72.8
95.04948	8.4
95.08604	42.1
96.08895	2.4
97.06519	15.6
97.10153	11.1
98.10493	2.2
99.08079	3.5
105.07030	15.9
107.04961	3.1
107.08588	46.4
109.06499	3.1
109.10152	22.3
111.08059	5.7
117.06998	8.6
119.08551	14.3
121.10146	25.2
123.08029	2.8
123.11665	3.3
131.08589	6.4
133.10139	10.9
135.11682	50.6
145.10094	12.7
147.11685	4.6
149.13223	5.0
153.12703	12.2
159.11667	6.7
161.13249	4.3
163.11136	7.0
163.14885	4.1
173.13277	5.1
181.12186	15.1
183.11528	2.1
199.13264	4.2
205.08577	3.0
223.09599	2.4
229.97031	3.0
243.21013	3.8
253.14304	2.9
255.15907	90.1
259.20673	2.6
261.22141	13.5
316.75256	2.3
317.24994	2.4
335.25784	100.0
340.28970	2.6
350.76053	2.4
423.32513	3.6
441.33627	3.8
515.37225	81.4
532.40173	12.1
550.41504	14.5
550.62048	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	550.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.9
55.50415	2.7
65.03939	2.8
67.05491	14.7
69.07050	13.4
71.04971	4.5
71.79478	4.5
71.79902	4.3
79.05482	15.8
81.07047	46.2
83.08605	10.4
85.06532	11.6
87.24127	2.5
91.05464	22.9
91.15046	2.8
93.07028	27.6
95.04976	4.3
95.08604	48.2
97.10161	5.3
98.07300	3.2
99.08094	4.9
105.07006	35.2
107.08574	52.8
109.06547	3.1
109.10133	34.3
111.08030	3.2
117.06998	6.1
119.08566	52.7
121.10127	46.8
123.08102	3.6
123.11697	16.7
125.09665	3.5
128.06215	3.0
129.06993	10.4
131.08563	33.9
133.06435	3.5
133.10120	51.2
135.11662	25.5
137.09621	5.5
137.13231	4.8
141.06932	4.9
143.08528	14.2
145.10126	40.4
147.11668	29.2
149.13176	15.1
151.11169	8.4
155.08543	3.7
157.10150	15.5
159.11662	38.7
161.09618	4.4
161.13229	19.2
163.14758	15.0
169.10184	9.8
171.11681	18.8
172.12451	3.2
173.09595	6.5
173.13252	36.8
175.11215	9.6
175.14784	27.5
177.12761	8.3
177.16389	42.7
179.14359	4.1
180.85916	2.9
181.10161	4.6
183.11682	10.1
185.09708	3.5
185.13271	22.0
187.11232	5.3
187.14790	32.5
189.12779	4.3
189.16331	15.7
191.10687	3.8
193.15910	5.3
195.11646	4.7
197.13248	11.3
199.14798	15.3
201.12816	5.2
201.16386	27.5
203.14284	4.9
205.15872	9.5
207.17403	9.7
209.13232	5.9
211.14835	8.8
213.16379	11.7
215.14317	8.0
215.18002	7.2
217.12215	3.6
219.13799	21.0
220.54897	3.3
221.11673	6.2
221.15379	5.5
223.14838	6.4
225.16379	6.3
227.14305	4.4
227.17932	5.1
229.15715	3.4
231.13852	3.4
231.17390	3.4
235.14949	4.8
237.11200	5.6
237.16422	4.5
239.17934	8.0
241.19559	4.2
243.13879	4.0
249.16505	4.5
251.17955	6.0
253.19487	6.1
255.21034	8.7
257.19138	6.4
263.17929	3.2
265.19333	5.7
269.18991	9.3
271.16949	5.2
273.18536	4.9
277.19537	5.6
285.18488	5.0
297.18466	3.4
299.19833	3.7
299.27371	9.2
301.21631	8.0
303.21133	4.3
305.18961	11.0
323.27435	4.7
331.19296	3.9
333.25766	20.9
335.27271	5.7
341.24567	4.0
351.19586	10.3
351.26749	25.5
353.28326	6.3
359.27377	9.3
361.25281	8.8
369.27835	18.0
377.28323	12.2
379.26343	60.7
381.27859	3.5
382.28836	4.2
397.27277	48.2
405.27768	6.7
407.25763	28.2
411.28827	8.7
423.28882	42.1
425.26776	44.1
441.29947	100.0
449.31363	8.2
460.30630	4.8
504.32947	4.3
524.50464	3.2
550.35632	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	550.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87299	0.7
55.05498	2.1
58.84827	0.6
60.35304	0.6
67.05491	4.4
69.03408	1.0
69.07051	2.3
69.24867	0.8
70.84788	2.6
71.04975	1.2
79.05463	2.7
80.70512	0.8
81.03397	1.2
81.07045	6.9
83.04974	0.8
83.08609	1.8
85.02895	2.3
85.06535	5.8
86.09696	1.0
91.05463	3.5
93.07027	7.5
95.04967	0.9
95.08590	6.6
97.02895	0.9
97.06543	1.8
105.07012	4.8
107.08576	10.2
109.06527	1.1
109.10136	6.2
111.08071	1.0
114.09137	2.7
114.12783	1.3
117.06988	1.2
119.08561	9.7
121.06441	1.3
121.10122	15.1
123.08070	2.4
123.11728	1.9
129.06975	1.1
130.08589	4.4
131.08560	5.7
133.06468	1.3
133.10107	9.8
135.08029	1.1
135.11678	19.1
137.09651	1.9
137.13295	1.2
143.08537	3.5
144.51306	0.9
145.10097	9.3
147.08096	1.1
147.11652	6.6
149.09608	1.4
149.13242	2.3
155.07053	1.0
155.08601	1.7
157.10114	5.2
158.11012	0.8
159.08052	0.8
159.11671	6.3
161.09576	1.7
161.13231	4.3
163.11221	1.7
163.14845	1.2
169.10077	4.0
171.11670	7.8
173.13228	12.9
175.11201	2.0
175.14819	4.7
177.12761	2.5
179.10719	1.1
181.10014	1.2
183.10211	1.0
183.11650	4.5
184.07353	1.5
185.13196	6.5
187.11122	1.4
187.14784	13.7
189.12761	3.1
189.16402	1.1
191.14287	1.0
195.11690	2.8
197.13260	2.9
199.14821	3.3
201.12683	1.8
201.16359	1.2
201.88976	0.7
203.14188	1.0
205.15948	0.9
207.11707	1.4
209.13257	1.7
211.14850	2.4
213.12764	1.0
215.14331	2.0
219.13606	0.9
221.13266	1.9
223.14828	2.3
225.16389	1.8
227.14359	1.5
227.17911	1.0
229.15923	1.4
235.14883	1.8
237.16370	2.2
239.14313	1.3
239.17928	1.5
241.15887	2.6
249.16391	2.1
251.17903	1.4
261.16486	1.0
265.16095	1.0
269.15237	1.6
275.17941	5.2
277.19354	2.0
279.17490	2.1
293.18915	2.2
297.18280	1.0
303.21024	1.5
307.20517	1.3
339.19604	5.7
340.20239	2.3
345.25729	4.3
363.26709	3.8
365.20966	2.9
369.24377	1.1
373.25272	3.6
391.26242	7.3
401.24405	1.0
409.27313	100.0
410.27661	2.8
419.25739	3.0
423.28912	1.3
427.28387	78.9
428.28821	3.0
437.26834	16.8
445.29440	2.2
455.27902	20.9
456.28525	1.0
469.29459	10.3
473.28851	3.3
487.30463	7.8
550.33618	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	549.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.01860	1.6
55.05502	23.8
57.03430	4.5
57.07067	6.0
65.03930	1.9
67.05494	37.8
69.03420	2.5
69.07056	24.9
71.04977	3.1
71.08616	2.8
71.79343	1.1
79.05483	19.8
81.03404	28.6
81.07045	39.3
83.04963	6.9
83.08607	24.4
84.12232	0.8
85.02897	13.1
85.06519	2.8
85.10156	1.8
89.06059	0.8
91.05470	19.7
93.07035	18.0
95.04953	11.2
95.08594	28.8
97.02908	1.1
97.06516	2.5
97.10149	9.8
99.08072	1.0
105.07011	15.5
107.04944	2.7
107.08574	16.4
109.06518	2.3
109.10135	17.4
111.04453	1.4
111.08043	5.0
111.11732	2.7
113.05965	1.1
113.09667	1.2
117.06996	2.7
119.08575	10.4
121.10121	11.8
122.45441	0.8
123.08053	1.3
123.11698	6.9
125.09570	2.2
129.06985	4.7
130.12279	1.9
131.08560	8.3
133.06532	0.9
133.10115	16.5
135.11708	5.7
137.09621	2.4
137.13226	1.2
142.07785	1.5
143.08546	1.5
144.59819	0.8
145.10117	2.6
147.11649	7.0
149.09604	4.0
149.13251	3.0
151.11160	5.5
157.10104	5.4
159.11713	2.0
163.11220	1.3
163.14871	1.6
165.12772	1.9
169.12282	1.0
173.13298	1.0
175.11172	6.5
187.14731	1.3
193.12210	24.4
207.33443	0.8
210.08873	4.2
211.13268	27.4
215.12680	1.0
243.21069	0.9
247.24229	1.1
249.14616	1.2
253.14301	14.8
261.22159	4.5
265.25235	4.0
267.15894	6.5
271.15445	5.3
335.25842	3.7
339.28967	5.0
457.36823	1.6
490.29080	1.0
513.36127	1.2
531.39850	5.6
549.23615	3.0
549.41467	100.0
550.40845	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.8
53.94814	3.5
55.01855	6.1
55.05271	3.7
55.05508	49.5
57.03430	18.0
57.07070	22.8
58.20415	4.0
60.27844	3.4
61.78894	3.3
65.03201	2.8
67.05499	74.0
69.03409	6.3
69.07059	64.2
71.08606	11.9
71.79535	5.1
79.05482	46.6
81.03410	95.5
81.07046	81.1
83.04948	10.4
83.08149	5.4
83.08608	57.7
85.06525	4.9
85.10171	6.4
91.05459	43.2
93.07033	46.1
95.04952	49.7
95.08590	62.7
97.06506	12.2
97.10163	24.1
97.10692	4.2
105.06998	35.6
107.04951	9.5
107.08592	38.0
109.06472	4.9
109.10146	36.2
111.08057	13.1
111.11721	5.4
117.06981	11.2
119.08572	33.4
121.06493	7.2
121.10114	31.7
123.08035	6.8
123.11697	9.9
125.09608	8.0
129.06995	11.1
131.08562	16.8
133.06517	3.7
133.10109	20.7
135.11708	19.9
137.09630	3.6
142.07820	7.4
143.08517	6.7
145.10123	10.4
147.08012	6.3
147.11685	14.0
149.09631	9.9
149.13234	8.0
157.10103	12.4
159.11673	5.9
161.13272	4.3
163.11198	4.4
165.12660	3.2
171.11658	6.6
173.13292	4.5
175.11153	13.1
184.07349	4.2
185.13350	5.2
189.11166	6.5
193.12213	35.5
205.12184	4.0
211.13263	4.6
247.24319	4.9
249.14856	6.0
265.25229	6.5
267.15897	83.1
277.21509	3.8
339.28876	66.6
439.35770	5.6
457.36731	54.8
475.37665	11.0
531.40485	100.0
532.40613	3.8
549.23639	5.6
549.41547	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01863	4.4
55.05493	1.8
57.03427	8.2
57.05803	0.6
57.07055	1.6
58.06578	2.5
59.04989	1.5
61.02544	1.0
61.02885	12.9
67.05499	4.0
69.03419	32.5
69.07034	1.3
69.81057	0.6
70.00934	1.8
70.01360	2.3
70.06581	1.5
71.01336	0.8
71.04991	4.8
72.08133	3.7
73.02896	4.4
79.05486	3.6
81.03400	13.0
81.07043	6.4
81.44156	0.6
83.04499	0.6
83.04971	2.4
83.08601	0.8
85.02891	100.0
85.06517	1.4
85.08829	0.7
86.03220	1.1
86.09697	1.7
87.04460	4.3
91.03942	5.9
91.05463	2.7
93.07043	3.8
95.04954	3.2
95.08596	6.5
97.02876	36.4
97.06511	4.8
98.21345	1.0
99.03872	0.7
99.04443	6.8
100.11233	5.5
101.02330	1.0
103.03899	1.2
103.05498	1.0
105.07020	8.3
107.04929	2.5
107.08550	4.7
109.02864	10.1
109.06503	6.1
109.10152	1.9
111.04434	1.7
111.08078	1.4
113.06043	0.7
114.09172	1.1
114.12787	33.0
115.03933	1.4
115.05399	0.8
119.04911	0.7
119.08558	4.4
121.06480	3.4
121.10104	4.8
121.81065	0.6
122.07272	2.0
123.08045	45.7
125.05974	2.6
125.09592	0.8
127.03897	28.3
128.04160	0.6
131.04912	1.1
131.08554	2.7
133.06461	4.2
133.10124	4.9
135.04443	0.6
135.08034	1.6
135.11664	2.4
137.05983	2.7
143.08524	1.2
145.04944	40.5
145.10132	2.2
147.04417	0.7
147.08095	1.2
147.11697	3.8
149.09616	2.5
151.07518	85.4
152.07849	1.4
153.09052	4.7
155.08661	0.7
156.09317	1.6
161.06052	0.8
161.09605	0.8
161.13232	2.1
163.03938	1.4
163.05988	7.7
163.11165	19.2
163.14850	1.0
165.12727	0.9
167.07082	1.7
169.08669	0.9
171.06499	1.5
171.11671	1.7
173.13240	2.1
174.10350	1.1
177.05449	2.0
177.12685	1.0
181.12195	10.3
189.07590	3.6
189.12715	19.5
190.13077	0.7
191.14357	3.3
192.11481	1.6
205.12231	0.8
207.13771	73.9
208.14130	1.9
209.15335	8.4
223.13289	2.0
225.10201	1.2
225.14830	17.6
253.09804	1.0
257.12866	0.7
308.86935	0.7
313.12460	1.9
325.11176	1.1
325.16284	1.2
342.12018	1.5
366.69943	0.6
369.18961	4.0
387.20078	12.9
388.17258	1.0
418.23398	0.9
450.22250	1.8
517.14520	3.4
531.24341	5.8
531.31866	3.3
532.24103	0.8
549.18445	2.7
549.25446	49.2
549.33099	2.3
550.25885	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	548.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.01856	1.8
55.05510	6.2
57.03420	2.2
57.07065	1.1
59.04990	0.8
61.02913	5.0
63.83287	0.8
65.03926	1.2
67.05492	4.5
69.03419	10.8
69.07051	14.8
70.03976	3.6
70.04396	1.6
70.06581	1.9
71.01321	0.8
71.04965	1.1
73.02898	2.5
79.05480	3.3
81.03391	3.7
81.07047	6.5
82.90921	0.6
83.01315	1.3
83.04497	1.0
83.04964	13.3
83.08601	2.7
85.02888	21.5
85.06507	2.0
91.03934	3.6
91.05459	6.0
93.07030	6.0
95.01337	4.1
95.04942	4.8
95.08595	19.5
96.08081	1.3
96.31548	0.7
97.02884	6.0
97.06506	3.5
97.10144	7.1
99.04444	1.5
105.07006	14.0
107.04932	1.4
107.08583	10.3
109.02860	3.0
109.06499	3.3
109.10140	12.7
111.04404	2.3
111.08073	2.3
113.02324	1.5
113.05987	1.9
114.09152	28.1
115.03965	0.8
117.07015	1.7
119.03396	1.0
119.08562	38.1
120.09367	1.6
121.06466	2.9
121.10118	17.5
121.10954	1.1
123.04405	2.3
123.08049	7.8
123.11659	5.9
124.03918	1.0
125.05983	2.5
125.09594	2.8
127.03904	5.8
131.08549	2.9
133.06464	1.2
133.10103	53.7
135.08060	4.8
135.11662	2.6
137.05975	3.6
137.09595	1.9
139.03873	3.6
139.07530	0.9
141.01787	1.7
141.05464	1.4
143.03363	2.6
145.04958	4.7
145.10153	3.7
147.04396	1.6
147.08025	2.6
147.11661	19.8
149.05946	2.1
149.09665	1.6
151.03853	0.9
151.07497	3.5
153.05490	4.5
153.09094	3.5
157.04919	4.8
157.10114	1.3
159.06493	2.5
159.11693	0.9
161.06056	1.0
161.09607	2.1
161.13232	6.8
163.03815	0.9
163.07454	1.4
163.11160	1.2
164.29880	0.8
165.09131	1.8
167.06982	4.8
169.04976	1.6
171.07977	1.5
171.10132	1.0
171.11551	0.8
173.09695	1.2
173.13255	2.6
174.11220	2.2
175.07521	1.5
175.14795	71.5
176.15538	7.2
177.03900	4.1
177.05341	1.0
177.09036	1.1
179.07004	4.4
180.08641	2.6
181.11926	0.9
183.06506	6.5
185.04428	1.2
185.08096	3.9
185.09479	1.0
185.13206	1.2
187.14780	2.8
189.09061	2.2
191.10617	1.1
193.15842	8.6
197.07985	1.6
199.09613	0.9
201.05403	1.8
201.07516	1.4
203.05392	4.5
203.14339	2.6
205.15982	1.3
207.13922	1.8
209.11626	1.6
211.05981	4.6
211.09572	1.0
213.07547	4.4
215.05484	14.2
215.14290	1.5
217.08577	1.5
225.11139	6.1
229.07028	22.1
231.08611	2.6
239.09035	1.2
243.08641	6.5
243.12065	1.2
245.15216	1.0
253.10783	2.2
255.13727	0.9
257.10168	7.5
269.15317	1.5
271.11731	32.1
287.16406	2.6
295.11490	1.3
298.09131	0.7
305.17496	6.1
315.15903	1.3
323.18533	1.6
324.09653	1.2
333.16901	2.9
351.17963	100.0
352.18265	3.4
355.11670	1.0
356.12366	1.4
357.96271	0.8
369.19104	4.3
386.13348	3.0
386.21671	2.9
524.66058	0.7
528.92725	0.8
548.19012	1.5
548.26691	4.2
548.34058	14.1
549.25232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10610	1.0
53.03937	3.5
55.01876	1.5
55.05259	2.1
55.05501	23.8
57.03425	13.4
57.07069	3.0
65.03922	3.3
67.05493	82.8
69.03419	1.6
69.07055	26.0
71.04987	4.2
71.08605	1.8
71.24719	2.6
77.03942	1.5
77.48798	1.1
79.05009	2.0
79.05480	50.7
81.03419	3.7
81.07043	100.0
83.04970	6.0
83.08608	15.5
85.02899	1.6
85.06532	4.7
91.05468	34.4
93.07028	72.6
95.04950	10.5
95.08590	50.3
96.08910	1.2
96.35042	1.0
97.06506	9.2
97.10167	4.0
99.08087	4.2
105.07014	24.1
107.04967	3.0
107.08575	40.1
108.08936	1.1
109.06499	3.2
109.10144	25.3
111.08057	6.8
114.51533	1.1
115.05438	1.5
117.06994	14.1
119.08554	27.7
120.13129	1.0
121.06484	2.1
121.10126	33.6
123.08057	1.3
123.11700	10.8
125.09619	3.9
127.07526	1.7
129.07005	3.3
131.08536	18.2
133.06552	1.3
133.10112	20.4
135.08008	1.6
135.11667	16.8
137.09642	1.8
137.13286	2.0
139.11162	2.0
143.08556	5.7
145.10107	13.4
147.11667	13.7
149.09567	1.7
149.13223	27.6
151.11255	1.8
155.08527	2.0
157.10132	5.4
158.84042	1.3
159.11667	17.1
161.13182	6.6
163.11140	1.9
163.14857	3.9
165.12857	1.6
169.10139	2.6
171.11688	4.4
173.11890	1.9
173.13182	6.9
175.14832	3.7
177.12724	5.4
183.11635	2.2
185.13298	3.5
187.14799	3.9
193.12291	1.7
195.12148	1.3
195.13718	7.8
197.13193	2.0
201.16412	2.3
213.14737	1.8
213.16547	1.8
229.14212	2.6
239.17857	1.3
243.21097	3.0
247.20790	1.6
258.45111	1.1
259.20593	1.7
261.22101	13.8
263.23730	1.8
267.15909	5.0
269.17422	44.8
274.16360	1.2
277.21732	1.5
279.23209	1.4
284.59985	1.1
287.23718	1.5
301.25238	3.9
317.24817	4.1
328.91525	1.3
335.25760	31.4
357.27911	2.1
359.82510	1.4
419.33350	1.7
437.33994	7.8
455.34985	7.7
473.36453	7.1
503.37131	3.3
511.37955	1.8
529.38788	81.7
547.39716	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	547.3974
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03927	2.6
55.01858	2.7
55.05502	14.2
56.70991	1.4
57.03418	4.5
57.07062	2.8
67.05492	43.9
68.05855	1.3
69.07059	18.6
71.08613	1.8
71.79613	2.1
72.28911	1.2
79.05476	24.0
79.67373	1.4
81.03408	5.7
81.07040	46.7
83.04964	2.8
83.08610	9.6
85.02919	1.9
85.06530	2.9
91.05463	24.3
93.07034	30.4
95.04942	8.8
95.08592	34.7
97.06532	5.1
97.10156	5.3
105.07009	28.9
107.04906	2.5
107.08567	23.5
108.22119	1.3
109.06522	2.3
109.10146	14.7
111.08083	3.6
111.80583	1.3
115.05415	2.4
117.07008	9.7
119.08565	28.4
121.06513	3.0
121.10130	19.3
121.97881	1.3
123.08069	2.4
123.11703	5.2
125.09586	3.1
128.06148	1.8
129.06995	6.2
130.07816	1.4
131.08533	18.1
133.10107	21.1
135.11656	11.9
137.13208	1.8
141.06929	2.4
142.07774	4.2
143.08527	10.7
144.09349	1.5
145.10097	17.2
147.11653	10.7
149.09612	2.5
149.13214	6.9
151.11168	2.2
155.08548	5.4
156.09358	2.3
157.10106	14.6
159.11656	12.5
160.47285	1.6
161.13235	6.1
163.11224	2.5
165.12801	2.0
168.09264	1.7
169.10127	8.0
170.10840	2.3
171.11627	8.4
173.09653	2.1
173.13242	10.3
175.11192	1.6
175.14853	4.8
177.16473	1.8
179.08536	2.3
181.10104	4.9
182.10960	1.7
183.11671	7.9
185.13159	8.5
187.14850	5.7
191.14346	1.7
193.08435	1.3
193.10196	3.5
193.12204	1.5
194.10815	1.6
195.11745	5.9
195.13719	1.8
196.12462	1.3
197.13211	8.0
199.14841	6.1
201.16359	3.1
207.11653	4.5
208.12383	1.6
209.13188	6.5
211.13109	1.6
211.14850	5.6
213.16501	3.9
215.14442	1.2
215.17937	1.6
219.11690	1.7
221.13292	3.8
222.13983	1.6
223.14847	5.3
225.16339	3.3
225.91556	1.5
227.12733	2.2
227.17880	1.8
233.13295	2.4
235.14816	5.1
237.16431	3.1
239.17894	3.0
243.11848	1.6
245.13257	1.7
249.16331	1.8
251.17955	3.8
257.13284	1.4
259.14841	2.1
261.16522	2.3
261.22186	3.6
263.18039	2.2
265.19626	1.9
267.15967	5.1
269.17313	7.0
271.14734	1.7
283.20496	1.9
284.15643	1.6
309.16534	1.4
335.25778	5.9
337.27264	3.1
419.33105	3.5
425.28516	1.4
437.34198	10.6
453.79611	1.4
455.35062	7.8
473.36633	6.8
503.37326	9.6
511.37781	3.6
529.38800	61.2
547.39514	100.0
548.39435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29804	1.3
53.03917	3.2
53.75285	1.3
55.01862	3.5
55.05502	23.8
57.03424	12.5
57.07062	7.2
57.87349	1.5
59.05002	1.5
65.03934	3.8
67.05494	80.9
68.05843	1.3
69.03408	1.9
69.07055	21.7
69.47154	14.5
70.55519	1.4
71.04978	5.5
71.08625	4.6
79.05479	46.1
80.31451	1.3
81.03410	6.4
81.07041	100.0
82.07367	1.5
83.04980	5.0
83.08601	18.3
84.89577	1.2
85.06535	5.9
91.05465	34.6
92.05822	1.5
93.07027	67.5
94.07342	1.8
95.04944	11.9
95.08593	51.4
97.06506	9.7
97.10165	5.0
99.08070	2.0
105.07009	28.8
107.04943	2.2
107.08578	38.7
107.09332	2.1
108.08979	1.5
109.06503	4.1
109.10132	25.5
110.10459	1.6
111.08085	5.4
111.11731	1.4
113.09632	1.7
117.07001	12.1
119.08569	27.1
119.09392	1.9
120.08878	1.2
121.06479	3.6
121.10123	26.4
122.93884	1.2
123.04449	4.9
123.08061	3.5
123.11693	9.5
125.09644	2.7
127.27878	1.5
128.06204	1.7
129.07018	3.9
131.08546	21.1
133.10109	22.3
135.08080	3.2
135.11661	19.6
135.40382	1.4
137.13275	2.1
139.11205	1.6
142.07823	1.5
143.08569	5.3
145.10091	19.1
147.11671	16.9
149.09644	3.2
149.13252	23.5
151.11215	1.8
155.08571	1.8
157.10051	7.7
159.11673	19.5
161.13277	7.3
163.11189	2.6
163.14835	2.8
165.12666	2.0
169.10092	2.9
171.11734	5.2
173.13229	9.0
175.11130	1.3
175.14819	2.9
177.12819	4.3
181.10213	1.7
183.11703	2.4
185.13280	4.4
187.14882	5.1
188.13393	1.3
189.16479	1.5
193.12387	2.2
195.13765	8.8
197.13251	2.2
199.14838	3.1
207.13933	1.5
211.14967	2.1
212.13640	1.5
229.14377	3.9
235.13348	3.8
241.19803	1.4
243.21227	1.9
254.50569	1.3
259.20767	1.6
261.22076	13.7
261.24234	1.2
267.16068	3.7
269.17419	39.4
275.20178	1.7
277.21521	2.0
287.23831	1.6
299.23795	1.5
301.25308	5.0
317.24844	2.7
333.24414	1.6
335.25784	28.8
367.82108	1.5
375.29221	3.0
419.33142	2.5
427.35764	1.7
437.34036	8.7
455.35223	9.1
473.36374	5.3
503.37460	4.4
511.37888	4.1
529.38788	76.3
530.39404	4.2
547.39850	55.8
548.40039	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	547.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.9
55.01867	5.2
55.05502	34.9
57.03154	0.9
57.03427	13.4
57.04053	1.0
57.07063	8.6
59.04985	1.2
65.03915	3.5
65.38087	0.9
67.05492	71.0
68.05822	1.8
69.03410	3.3
69.07054	33.1
69.47659	4.2
69.48092	5.0
69.82504	0.8
71.04976	4.8
71.08632	4.3
72.04507	5.1
74.09699	1.1
79.05013	1.7
79.05480	35.0
81.03403	53.7
81.07041	78.9
83.04958	5.5
83.08605	33.2
85.06540	4.6
85.10149	0.9
87.04421	1.0
91.05463	34.5
93.07030	37.4
95.04948	32.3
95.08588	48.9
95.69022	0.8
96.08927	1.0
97.02852	1.2
97.06510	8.6
97.10150	19.7
98.10471	0.8
99.08057	3.0
105.04500	1.0
105.07011	28.9
107.04936	12.0
107.08575	26.6
109.06499	6.3
109.10135	25.0
111.08073	6.0
111.11702	3.0
115.05455	1.7
117.07001	10.2
119.04911	1.5
119.08559	23.2
121.06479	6.3
121.10120	18.4
123.08070	3.0
123.11687	9.8
125.09601	12.1
128.06186	1.4
129.06989	9.3
131.08545	17.0
133.06450	3.3
133.10107	14.2
135.08029	3.0
135.11661	10.8
136.11964	1.1
137.09550	2.2
137.13225	3.4
139.11192	1.6
141.07005	1.5
142.07747	1.8
143.08510	4.4
145.10104	10.3
147.08011	3.1
147.11659	11.9
149.09590	4.7
149.13246	7.2
151.11121	1.9
151.14845	2.4
153.09085	1.3
153.12695	1.3
155.08501	2.0
157.10098	9.4
159.11665	5.1
161.09544	1.7
161.13232	6.6
163.11171	5.1
163.14839	5.2
165.12733	2.9
165.16377	1.3
169.10098	2.4
171.10260	1.2
171.11678	2.7
173.13232	2.5
175.11156	6.4
175.14775	4.9
177.12733	2.8
177.16365	1.9
179.14246	1.7
183.11676	1.3
185.13243	3.0
187.13300	1.2
187.14798	2.7
189.11220	5.4
189.16370	2.4
191.14330	1.5
193.12204	20.8
199.14856	2.2
201.16272	2.3
203.17953	1.4
205.12163	1.9
211.13206	3.4
215.17972	1.5
219.17358	0.9
223.13222	1.7
227.12749	8.1
227.16316	1.2
241.17944	2.4
243.15872	1.6
245.22676	4.5
249.14868	4.3
261.22159	1.3
263.23740	9.2
267.15860	57.2
268.16220	1.2
275.20151	1.6
285.25653	0.9
287.23682	2.2
289.21576	3.4
301.25183	1.9
303.23355	2.0
303.26721	11.7
305.24835	1.0
319.26410	1.5
329.24713	1.6
337.27304	48.9
338.27487	1.6
343.26334	1.3
349.23743	0.9
357.27768	1.0
359.29779	1.1
361.27023	1.6
363.25323	1.0
403.24649	2.1
417.26389	2.3
419.33035	1.9
421.25757	2.6
427.35822	1.4
435.27393	1.6
437.28760	1.0
437.34167	6.8
453.33524	1.0
455.35126	17.0
473.36267	13.0
493.36221	1.9
503.37183	1.4
511.37766	1.7
529.38800	76.8
530.39294	4.7
547.39832	100.0
548.40717	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	546.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01851	2.9
55.05499	7.7
57.03430	9.1
57.07073	1.2
59.04947	1.2
64.96699	1.0
67.05493	33.3
68.87070	1.2
69.03393	2.4
69.07057	10.7
71.04960	3.8
71.08564	1.0
71.79549	1.9
71.79906	1.3
74.09698	1.6
79.05483	19.5
81.02934	2.5
81.03407	46.5
81.07041	43.0
83.04978	7.0
83.08607	17.5
85.02917	1.7
85.06503	2.6
91.04910	1.8
91.05460	20.3
93.07024	30.4
95.04949	16.4
95.08585	12.8
97.02875	1.9
97.06512	6.3
97.10138	4.1
99.08084	2.8
103.05397	1.1
105.07011	13.2
107.04932	4.0
107.08577	16.9
109.06487	3.7
109.10114	6.3
111.04394	1.7
111.08056	8.0
117.07013	5.7
119.08580	10.3
121.06480	3.8
121.10126	12.4
123.08054	2.7
123.11599	1.9
125.09614	1.7
129.06976	5.2
131.08542	12.6
133.06487	1.8
133.10106	8.9
135.08060	1.9
135.11670	3.6
137.09604	1.5
145.10118	3.1
147.08038	2.1
147.11644	7.1
149.09590	4.2
149.13257	13.7
157.10147	5.9
159.11618	5.9
163.11078	1.4
165.12747	2.4
167.88623	1.3
169.09982	1.2
171.11710	1.5
172.11942	1.3
173.13124	1.1
175.11150	6.6
177.12714	4.6
185.13275	2.7
188.90692	1.2
189.11165	1.2
193.12186	12.3
195.13780	4.9
211.13214	2.2
267.15869	60.3
269.17438	41.0
405.30005	1.6
431.24625	1.4
435.27292	3.6
443.27844	2.7
451.28528	4.0
453.28311	2.0
454.33090	1.4
461.28912	100.0
462.29086	2.7
479.28360	1.9
497.28833	1.4
511.32269	1.7
515.29688	1.7
528.37335	3.5
546.38672	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	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74516	0.3
55.05505	3.1
56.64990	0.2
57.07063	0.4
58.77775	0.2
60.81451	0.2
63.82576	0.2
65.17194	0.2
67.05496	4.5
68.05006	1.0
69.03407	0.6
69.07062	3.3
70.06595	0.4
71.02483	0.2
71.04985	1.9
71.52512	0.5
73.43311	0.2
77.53753	0.3
79.05495	1.7
80.05002	0.6
81.03416	0.3
81.05775	1.8
81.07037	3.1
82.06564	0.6
83.04962	2.2
83.08606	1.0
84.08125	0.3
85.02886	0.5
85.06516	0.6
86.09709	0.3
88.19060	0.3
91.05485	0.7
93.07039	1.9
94.06557	1.4
95.04964	0.6
95.08595	7.2
96.08117	3.9
97.06530	0.6
97.10185	0.5
99.04431	2.2
101.05962	0.3
105.07030	1.8
106.02885	0.3
107.08575	3.1
109.06503	0.3
109.10146	7.7
111.08071	0.7
112.07582	0.3
114.09151	100.0
114.81497	0.3
115.09491	0.9
119.08568	3.9
121.10139	1.5
123.08067	0.7
123.11687	1.3
125.09585	0.9
128.10756	0.2
130.08643	0.6
133.10126	3.8
135.11670	1.9
137.09586	3.1
138.09999	0.2
147.04463	0.3
147.11668	0.5
149.13228	0.6
151.11172	0.5
151.14786	0.6
154.08633	0.4
155.10608	0.3
165.16385	0.4
172.09695	0.4
174.11240	11.6
175.14793	4.7
187.13312	0.5
193.15833	1.4
259.86456	0.3
276.14502	0.7
300.14532	0.7
318.15500	3.6
334.15054	0.6
336.16495	12.9
337.17120	0.3
431.12521	0.3
472.24918	0.3
510.30698	0.4
528.31598	15.3
529.31738	0.4
546.32703	62.0
547.32806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67447	0.3
50.71589	0.2
53.03928	0.6
55.05484	1.2
56.31816	0.3
67.05495	2.2
68.04998	0.8
69.03407	1.3
69.07063	2.7
70.06583	2.0
71.04982	1.3
71.78664	0.5
72.08145	6.2
78.03440	0.9
79.05473	1.8
79.06663	0.3
80.04993	0.9
81.03418	2.2
81.05777	1.8
81.07047	1.9
82.06532	0.5
83.04966	1.9
83.08604	0.4
84.08138	0.5
85.02889	1.8
85.06544	0.3
86.06056	0.4
86.09666	0.7
91.05462	1.9
91.89524	0.3
93.07024	2.9
94.06515	1.3
95.04967	0.7
95.08594	5.8
96.04478	0.5
96.08125	4.1
97.02876	1.3
97.06517	0.5
97.07616	0.3
99.04433	2.1
99.08065	0.4
105.07014	1.6
106.02894	4.9
107.04933	0.9
107.08569	3.9
107.46027	0.3
109.02851	1.6
109.06525	0.4
109.10146	1.4
110.07183	0.3
111.08061	0.5
112.07596	0.4
113.09602	0.5
114.09150	100.0
115.09471	0.8
119.04893	0.5
119.08569	3.2
121.10112	1.0
123.11706	1.0
124.03928	8.8
125.04281	0.3
125.09632	0.4
127.03881	1.0
130.08612	0.8
133.10101	4.9
135.11676	4.5
137.06013	0.4
137.09584	1.7
147.04379	1.3
147.11676	0.4
149.13206	0.4
152.06969	0.3
154.08665	0.6
163.03778	0.6
171.14896	1.0
174.11230	14.8
175.03859	0.3
175.14812	2.7
177.05522	0.5
181.08572	0.9
199.14407	1.0
203.11882	0.4
207.07867	0.4
250.04712	0.3
250.07059	1.9
253.08356	0.3
268.08127	5.4
269.08444	0.3
276.14355	0.9
277.16626	0.8
300.14557	0.8
302.18396	0.3
318.15448	6.5
336.16428	3.2
348.19064	2.7
366.11920	0.6
367.13174	0.6
384.12900	4.1
510.30545	0.8
528.31622	6.0
529.18542	0.7
546.32672	58.9
547.32983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01853	3.1
55.05503	18.9
57.03436	6.0
57.03666	1.2
57.07053	2.7
59.04987	1.5
60.88143	1.2
65.03910	2.7
67.05493	48.2
69.03416	2.4
69.06725	1.3
69.07060	15.1
69.50137	1.9
69.50537	9.7
71.04967	3.5
71.08617	12.6
72.25932	1.0
79.05013	1.3
79.05481	37.6
81.03406	20.9
81.07044	59.0
82.07395	1.1
83.04971	6.9
83.08608	11.6
85.02877	4.3
85.06530	1.6
89.56212	1.0
91.05467	28.3
93.07030	45.3
95.04952	14.8
95.08591	30.2
97.06530	6.4
97.10149	8.6
99.08072	9.3
105.07014	28.0
107.04939	6.3
107.08573	26.8
109.06459	4.7
109.10153	13.5
111.08022	4.8
113.09626	1.6
115.05450	1.3
117.07001	8.3
119.08553	15.3
121.06493	3.6
121.10129	20.9
123.08059	3.6
123.11682	4.8
125.09637	6.4
128.06270	1.5
129.06982	4.5
131.08548	13.2
133.06464	1.3
133.10091	15.8
135.08038	2.4
135.11676	16.6
137.09575	3.1
141.09099	2.2
143.08548	4.2
145.10106	7.2
147.08051	1.3
147.11653	10.3
149.09657	1.7
149.13240	9.1
151.11140	5.4
155.08551	1.4
157.10126	5.2
159.11685	7.9
161.13231	8.4
163.11153	3.7
163.14793	1.7
163.87193	1.1
167.10587	1.1
169.10150	1.9
171.11674	3.2
173.13272	3.8
175.11156	3.4
175.14763	1.5
177.12704	2.4
179.14281	33.7
183.11577	1.5
185.13269	2.9
187.13249	1.1
187.14787	2.7
189.11172	3.3
189.12732	2.4
193.12219	9.4
195.13864	1.5
199.14796	1.3
211.13199	6.8
221.15323	1.9
227.12828	3.3
235.16949	2.5
243.21149	2.6
251.16324	1.5
259.20514	1.7
261.22025	4.7
267.15884	9.4
268.65381	1.1
277.21588	27.9
285.22006	2.0
287.20111	1.3
287.23065	1.1
295.22623	4.3
301.22131	1.1
301.25146	6.2
303.23199	1.2
335.25821	9.5
359.25864	1.1
421.25369	1.4
421.89160	1.2
453.33347	5.1
471.34818	3.7
507.05508	1.1
509.36221	1.6
527.37195	24.1
545.38300	100.0
546.38739	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14040	1.1
53.03927	2.3
55.01862	3.3
55.05230	1.4
55.05502	22.4
57.03430	6.9
57.07060	2.2
59.96988	1.2
65.03935	1.3
67.05493	51.7
69.03406	3.5
69.07062	14.4
71.04976	2.9
71.25224	2.3
71.25579	1.4
79.05479	30.5
81.03404	25.0
81.07041	47.4
83.04949	5.4
83.08606	17.2
85.06508	2.9
88.91798	0.9
90.33402	1.0
91.05466	26.5
93.07029	32.1
95.04960	18.6
95.08589	32.7
97.02906	1.1
97.06514	4.2
97.10148	19.3
99.08067	1.1
105.07010	23.9
107.04918	4.8
107.08575	23.2
109.06505	5.3
109.10131	22.5
111.04411	1.2
111.08037	2.7
115.05454	2.3
117.06997	11.7
119.08563	22.8
119.10813	1.1
121.06487	6.2
121.10117	15.8
121.68430	1.1
123.08048	3.6
123.11652	7.1
125.09622	12.6
128.06155	1.2
129.06999	7.4
131.08543	21.5
133.06490	2.8
133.10103	17.2
135.08044	5.5
135.11684	9.1
137.09613	3.4
137.13258	1.0
139.11197	1.1
141.06943	1.7
142.07747	1.9
143.08539	8.4
143.10658	1.7
145.06450	1.5
145.10101	14.8
147.08076	3.9
147.11676	13.0
149.09637	5.4
149.13237	5.9
151.11186	1.2
153.09131	1.4
155.08540	3.4
157.10074	7.4
159.08061	2.7
159.11681	12.5
161.09639	1.3
161.13243	6.6
163.11168	3.8
163.14796	2.8
169.10106	3.7
171.11629	5.1
173.09581	1.8
173.13258	8.5
175.11172	4.2
175.14793	4.2
175.31660	1.1
177.12743	2.4
179.14122	1.3
181.10146	1.3
183.11668	3.5
185.13249	4.4
187.11156	1.3
187.13245	2.3
187.14835	6.5
187.16313	1.2
189.11186	8.8
189.12688	1.7
189.16275	1.7
193.12228	8.7
195.11838	1.1
197.13242	2.8
199.14850	3.0
201.12613	1.4
201.16406	1.5
203.14290	1.5
209.13094	1.3
211.13173	1.5
211.14874	1.7
213.12737	1.4
213.16470	2.0
225.16248	1.5
227.12700	11.5
227.17996	1.1
233.18842	1.2
237.16455	1.7
243.15901	1.6
243.21021	2.9
247.16972	2.0
249.14799	1.6
249.18541	1.1
261.18967	1.4
261.22113	15.1
267.15860	22.0
273.18585	1.1
273.22229	1.2
279.23254	1.7
283.24030	1.3
285.22147	2.9
287.20087	2.7
299.23721	2.6
301.21851	1.6
301.25128	14.2
303.23166	2.7
310.92209	1.0
317.24820	1.8
333.24371	1.3
335.25748	19.5
359.25809	2.4
361.23944	1.3
369.24310	1.2
403.24713	1.4
421.25928	3.8
435.27316	2.7
435.32648	6.2
449.29376	1.7
453.33539	13.4
471.34875	8.8
509.36276	2.8
527.37238	55.4
528.37726	2.0
545.38324	100.0
546.38751	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01854	2.7
55.05503	21.3
55.90477	0.9
57.03430	7.1
57.07052	1.2
65.03925	2.9
65.56118	0.9
67.05496	39.6
69.03410	3.1
69.07053	10.8
71.04987	4.1
71.58468	1.7
76.04550	0.8
79.05482	33.3
81.03408	26.4
81.07044	43.7
83.04964	5.6
83.08607	15.4
84.04697	0.7
85.02889	10.0
85.06508	1.7
89.95842	0.8
91.05463	25.6
93.07028	35.1
95.04958	15.5
95.08588	27.3
97.02890	1.1
97.06502	4.3
97.10159	12.0
99.08086	1.0
105.07015	22.5
107.04928	3.3
107.08578	20.8
109.06506	2.7
109.10143	11.8
111.04414	1.7
111.08079	6.9
113.06025	0.9
115.05451	0.9
117.06985	6.9
119.08561	18.0
121.06502	2.5
121.10127	17.1
123.08054	3.2
123.08868	1.0
123.11688	4.5
125.09618	7.2
128.06270	1.3
129.06998	5.9
131.08545	14.9
133.10117	12.6
135.08041	2.6
135.11661	8.8
137.09602	3.3
137.13242	1.0
139.11186	1.0
142.07771	1.3
143.08553	4.5
145.06441	1.2
145.10112	9.6
147.08028	2.3
147.11670	10.3
149.09602	3.4
149.13281	4.0
151.11221	1.2
153.09116	1.2
155.08542	3.3
156.09363	1.0
157.10085	6.3
159.11653	7.5
161.13254	4.4
163.11143	1.2
163.14812	1.9
165.12758	1.5
169.10104	1.2
171.11641	3.2
173.13220	5.3
175.11168	5.5
175.14841	2.1
180.93777	0.7
181.10223	1.1
183.11691	2.0
185.13229	2.3
187.14833	2.0
189.11224	3.8
189.12775	1.1
193.12213	20.9
195.11713	1.7
197.13266	1.7
199.14819	2.8
201.16377	1.6
211.13248	21.1
227.12706	6.7
233.15521	1.5
243.21121	2.6
261.22101	7.2
267.15869	12.0
275.50873	0.8
285.22067	1.9
301.21924	1.7
301.25110	8.3
317.24811	2.3
335.25830	10.2
341.38293	1.0
359.25781	1.5
387.76956	0.8
421.25803	1.1
435.32562	4.3
453.33572	6.8
471.34836	4.6
509.36279	1.9
527.37231	36.1
527.45288	1.9
545.38306	100.0
546.38745	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03932	3.1
53.18709	0.6
53.80488	0.6
55.01854	3.4
55.05503	18.0
57.03434	6.2
57.07075	1.9
59.04990	0.7
65.03931	2.5
67.05495	39.5
69.03413	1.7
69.07058	11.0
71.04981	3.3
71.48391	1.8
73.67097	0.8
79.05479	36.1
81.02927	1.5
81.03405	26.0
81.07043	36.9
81.84956	0.7
83.04961	7.1
83.08610	14.4
85.02893	11.9
85.06548	1.3
91.05470	28.6
93.07030	36.7
95.04951	14.6
95.08595	24.0
95.09190	1.5
97.02898	1.6
97.06541	4.0
97.10144	5.0
99.08002	0.8
100.45313	0.7
103.05478	0.7
105.04543	0.9
105.07020	21.6
107.04935	2.5
107.08570	17.5
109.06495	3.8
109.10133	11.1
110.07147	0.6
111.04415	0.8
111.08060	5.4
113.05987	0.9
117.07005	7.1
119.08563	18.0
121.06522	2.5
121.10129	15.9
123.08071	2.5
123.11696	3.0
125.09631	2.9
128.06206	1.2
129.06993	6.9
131.08546	13.0
133.10112	11.5
133.11101	0.9
135.08005	1.4
135.11667	7.6
137.09595	1.3
141.07014	1.0
142.07751	1.4
143.08553	2.5
145.10117	9.2
147.08061	2.0
147.11665	9.4
149.09619	3.4
149.13255	4.4
155.08556	1.4
157.10098	8.5
159.11684	4.2
161.13258	3.8
163.11172	1.4
163.14769	1.1
165.12756	2.1
169.10117	1.6
171.11703	2.3
173.13281	3.8
175.11165	7.8
175.14755	1.2
177.12709	1.0
181.10132	1.1
183.11740	1.4
185.13319	2.0
187.14850	2.0
189.11174	1.5
193.12213	23.2
197.13312	1.1
199.14836	1.0
209.13165	0.8
211.13260	26.2
227.12804	2.4
237.16383	0.8
243.21046	1.1
249.14818	0.7
261.22076	5.2
267.15854	5.2
285.22214	1.5
299.23566	1.0
301.25299	3.0
303.23068	1.0
303.51804	0.7
317.24640	1.8
335.25909	4.3
359.25656	0.7
403.24506	1.0
417.31296	0.9
435.32486	3.1
453.33466	3.4
471.34683	3.1
509.35855	1.6
527.37305	17.7
545.38312	100.0
546.38690	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93116	1.2
53.03934	2.0
55.01851	3.6
55.05268	1.3
55.05505	20.6
57.03426	6.8
57.07074	2.5
57.15956	0.9
65.03931	2.3
67.05495	47.9
67.12974	1.1
69.03413	4.0
69.07063	12.3
69.99181	0.9
71.04974	3.6
71.58643	2.5
78.81308	0.9
79.05479	25.8
81.03410	20.8
81.07047	41.2
83.04964	3.5
83.08607	17.6
85.02892	1.4
85.06512	3.6
91.05464	24.1
91.63396	1.3
93.07030	32.9
95.04963	17.0
95.08595	27.2
97.06512	4.4
97.10149	16.5
99.08082	1.4
105.07017	21.1
107.04933	4.1
107.08573	22.8
109.06505	5.5
109.10140	19.2
111.08066	4.0
111.11731	1.3
117.06996	9.1
119.08562	19.3
121.06501	6.2
121.10135	14.0
123.08079	4.9
123.11711	7.4
125.09574	11.7
129.06961	7.4
131.08557	16.7
133.06479	2.1
133.10115	15.6
135.08020	6.0
135.11667	10.8
136.60222	1.1
137.09596	1.9
137.13284	1.2
138.80388	1.0
141.06995	1.9
143.08537	5.9
145.06511	1.9
145.10114	14.1
147.08044	3.9
147.11668	10.8
149.09596	3.0
149.13249	4.3
151.11206	1.6
153.09119	1.6
155.08585	3.5
157.10129	8.8
159.08017	1.9
159.11679	11.0
161.09610	2.1
161.13278	6.4
163.11185	2.8
163.14844	3.1
165.12718	1.3
167.08539	1.1
169.10153	3.8
171.08066	1.2
171.10368	1.1
171.11679	5.5
173.09671	1.5
173.13243	8.2
175.11201	3.4
175.14848	3.4
179.71159	1.0
183.11687	3.1
185.13252	4.0
187.11298	1.0
187.14833	4.4
189.11226	7.7
189.12723	1.6
189.16357	1.7
191.14287	1.0
193.12206	6.7
195.11777	1.8
197.13255	1.7
199.14864	2.0
201.16408	1.6
205.12230	1.0
207.11720	1.0
211.14844	1.7
213.16356	2.5
223.15002	1.2
223.58211	1.0
227.12704	13.9
229.19518	1.2
233.15308	1.3
243.15855	1.7
243.21155	2.1
247.16936	2.6
247.20859	1.1
261.18466	1.9
261.22131	8.9
267.15857	22.8
271.20459	1.1
279.23410	2.0
285.22089	1.9
287.20010	1.5
289.21561	1.3
299.23544	1.9
301.22009	2.0
301.25223	13.2
303.23132	1.6
311.58331	1.1
317.24786	2.7
329.21170	1.6
333.24313	1.4
335.25803	16.7
343.22690	2.2
359.26016	1.4
403.24628	2.5
417.26099	1.6
417.31351	1.9
421.25995	4.5
432.95334	1.1
435.27249	2.2
435.32593	6.5
453.33447	11.2
471.34766	8.9
509.36465	1.3
527.37244	57.6
528.37701	1.1
545.38312	100.0
546.38611	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03932	3.6
55.01865	4.2
55.05506	15.5
57.03432	6.4
57.07064	1.9
65.03925	2.0
67.05495	42.5
69.03403	2.1
69.07066	10.9
69.62235	1.0
69.62640	7.1
71.04974	3.3
79.05480	39.8
81.02929	1.5
81.03408	28.9
81.07043	41.5
83.04954	6.3
83.08603	14.3
85.02886	12.5
85.06544	1.8
91.05465	30.6
93.07029	38.7
95.04958	15.1
95.07988	1.5
95.08594	27.5
97.02878	1.2
97.06550	4.1
97.10148	6.9
99.08104	1.0
105.07019	22.7
107.04945	3.4
107.08579	20.3
109.06496	4.4
109.10135	10.2
111.04451	0.9
111.08067	5.3
115.05495	1.6
117.07011	8.7
119.08565	20.0
121.06477	2.2
121.10127	19.2
123.08078	2.7
123.11691	4.7
125.09643	2.9
129.06969	6.5
131.08537	13.6
133.06523	1.3
133.10103	13.3
135.08011	1.6
135.11673	8.4
137.09644	1.8
141.06921	1.2
142.07802	1.7
143.08566	3.5
145.10115	9.3
147.08086	2.0
147.11659	11.9
149.09599	2.6
149.13222	4.1
151.11116	1.0
155.08580	1.0
157.10132	8.8
159.11693	5.9
161.13229	4.7
163.11180	1.0
163.14868	0.8
165.12773	2.8
167.08524	0.9
169.10179	1.7
171.11736	2.1
173.09569	0.8
173.13268	3.1
175.11136	6.2
175.14795	1.9
183.11659	1.4
185.13272	2.8
187.14873	2.3
189.11237	2.8
193.12225	22.0
197.13329	1.1
199.14868	1.8
211.13261	26.2
211.15079	1.8
227.12868	3.7
243.21005	1.7
243.44511	0.8
261.22165	6.1
267.15826	5.8
277.21655	1.2
283.24332	1.2
285.16833	1.6
285.21878	1.2
301.25259	5.3
303.23157	0.9
335.25653	4.6
349.07767	0.9
431.28339	1.0
435.32492	3.7
453.33551	4.5
468.78790	0.9
471.34622	3.4
509.36572	1.3
527.37280	20.3
545.38330	100.0
546.38458	2.5
551.07129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	84.0
57.03435	25.2
64.82124	22.6
67.05495	96.0
69.07040	37.3
71.79810	34.6
79.05476	84.4
81.03397	56.4
81.07048	100.0
81.86690	22.3
83.04978	25.0
91.05490	87.9
93.07052	74.9
94.07327	23.1
95.04956	47.9
95.08582	51.2
97.02822	23.7
105.07015	75.0
107.08580	85.5
109.10143	43.8
112.99516	29.3
117.06979	38.2
119.08551	77.9
121.10132	73.7
129.06911	36.0
131.08548	70.1
133.10129	70.1
135.11700	41.5
143.08551	24.0
145.10120	95.0
147.11696	47.1
157.10110	22.7
159.11736	50.9
161.13219	39.6
171.11682	30.6
173.13240	38.0
175.11404	26.2
182.57014	27.0
201.16446	31.6
265.70862	23.6
267.15884	44.8
274.22836	23.3
421.31116	40.6
467.31488	79.2
473.28748	91.8
544.37207	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
53.74611	0.2
55.01863	0.3
55.05502	2.2
59.60865	0.2
59.77960	0.2
60.58755	0.2
63.06046	0.2
65.03928	0.4
66.62361	0.2
67.05495	1.2
68.05007	0.9
69.03412	0.9
69.07031	0.4
69.38792	0.2
70.06572	0.6
71.04980	0.6
71.36315	0.5
79.05476	1.5
80.05000	0.6
81.05787	2.4
81.07041	0.7
82.06576	0.3
83.04966	8.7
83.08614	0.5
84.04536	0.2
84.08134	0.4
85.02889	1.0
85.06532	0.3
86.09690	0.4
91.05442	1.0
93.07034	1.2
94.06548	1.3
95.04955	7.8
95.08582	0.7
96.08115	4.6
97.02848	0.3
97.06516	0.4
97.10176	0.3
99.04449	0.7
99.71318	0.2
105.07025	0.7
107.08569	2.1
108.04491	0.2
109.02853	0.5
109.06479	0.7
109.10152	0.5
110.06071	0.2
111.08062	2.2
112.07603	0.2
114.09150	100.0
115.09486	1.0
116.07098	0.3
119.04929	0.6
119.08544	0.5
121.02860	0.6
121.10130	0.8
123.08112	0.3
125.09622	0.6
127.03939	0.3
128.07048	0.4
130.08633	0.8
133.10109	1.4
135.07994	0.6
135.11652	0.3
137.05962	0.9
139.03902	0.3
145.02802	0.3
147.04398	1.2
147.11703	0.3
148.96339	0.2
149.13269	0.6
151.07547	0.6
153.09081	3.3
154.08574	0.3
163.03912	0.6
172.09773	0.2
173.13271	0.7
173.58102	0.2
174.07632	0.8
174.11235	12.5
175.03877	0.2
175.07579	0.2
176.09198	0.6
177.05513	0.6
191.14301	0.8
193.08649	0.3
205.58249	0.2
207.06511	0.9
212.07379	0.9
219.02826	0.8
229.76385	0.2
261.03870	0.6
276.14417	0.4
294.24283	0.2
300.14529	0.3
303.05060	0.4
318.15408	2.7
336.16434	3.0
388.13397	0.2
405.09375	0.4
425.06909	0.2
526.30255	1.6
544.31116	64.9
545.31659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01859	0.2
55.05499	0.6
55.53255	0.2
57.03440	0.2
65.03930	0.6
67.05479	1.3
68.05011	0.8
69.03400	0.5
69.07048	0.7
70.06556	0.3
71.04973	1.2
71.66512	0.4
71.66853	0.3
74.06622	0.2
79.05499	1.8
79.05889	0.4
80.04992	0.9
81.03413	0.6
81.05788	2.8
81.07070	1.0
82.06566	0.8
83.04971	2.1
83.08586	0.2
85.02893	0.4
86.09700	0.3
91.05466	2.4
93.07022	1.5
94.06552	1.8
95.04954	20.9
95.08584	0.5
96.08121	4.9
97.06525	0.4
99.04422	1.3
105.07017	2.6
107.08578	2.1
109.02822	0.3
109.06496	1.2
109.10145	0.6
111.08027	0.3
112.07581	0.5
114.09153	100.0
115.09461	1.2
119.04932	2.2
119.08537	1.2
121.10107	1.3
123.11710	0.6
127.03909	0.2
128.07076	0.3
129.83989	0.2
130.08626	2.0
131.08543	0.8
133.10115	3.1
135.08041	0.6
137.05910	0.3
140.07048	0.8
145.02867	0.3
145.10114	0.5
147.04408	1.7
147.11723	1.4
149.09650	0.3
149.13275	0.7
153.09061	0.9
154.08630	0.5
156.10094	0.3
158.08141	0.5
158.10907	0.4
167.07159	0.2
172.09674	0.4
173.13237	1.3
174.11252	7.6
175.03908	2.9
176.09166	5.3
177.05403	0.4
191.14273	1.6
206.04375	0.3
207.06503	4.5
208.06828	0.4
276.14417	0.3
300.14435	0.4
304.63602	0.3
318.15433	3.9
329.68433	0.2
334.14685	0.2
336.16623	1.5
338.14359	2.1
424.17148	0.2
508.29138	0.4
526.30109	4.3
537.82733	0.2
544.31116	60.9
545.20532	0.2
545.23328	0.3
545.31348	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03936	1.1
55.01850	2.1
55.05505	13.0
57.03160	0.5
57.03420	3.0
57.07061	1.0
65.03950	0.7
67.05494	22.1
69.03410	1.2
69.07059	7.5
71.04977	2.0
71.78808	0.7
72.94701	0.4
79.05482	16.8
81.03413	6.2
81.07045	19.6
83.04962	2.3
83.08605	7.2
85.06509	1.5
91.05470	16.4
93.07032	14.2
93.07508	0.3
93.07631	0.5
95.04958	6.5
95.08594	11.9
97.06511	2.0
97.10161	7.5
99.08087	0.9
103.05440	0.9
105.07021	15.0
107.04968	2.6
107.08577	8.7
109.06519	2.3
109.10150	7.6
111.08048	2.1
115.05448	1.3
117.06995	10.0
119.08569	11.4
121.06483	2.5
121.10136	5.2
123.08054	1.7
123.11688	1.4
125.09623	5.2
128.06203	1.9
129.06989	8.2
130.07761	0.8
130.12334	0.5
131.08556	14.7
133.06470	1.4
133.10104	8.1
135.08060	2.6
135.11667	3.3
137.09648	0.7
141.06952	2.3
142.07729	1.4
143.08549	9.8
144.09383	0.8
145.06473	1.9
145.10100	10.1
147.08052	1.3
147.11673	5.3
149.09618	1.5
149.13225	1.5
153.09126	0.6
154.07774	0.8
155.08539	5.3
156.09296	0.9
157.06496	0.9
157.10106	8.8
159.08076	2.3
159.11676	8.4
161.09644	1.1
161.13229	3.0
163.11162	1.5
163.14783	0.5
167.08533	1.7
168.09331	0.5
169.10124	5.9
171.08025	1.2
171.11684	7.0
173.09630	2.5
173.11786	1.0
173.13152	5.2
175.11169	1.6
175.14842	0.9
177.12753	0.9
179.08559	1.0
179.14330	0.9
181.10095	3.7
183.11673	5.3
184.12358	0.6
185.09563	1.5
185.13257	4.5
187.11201	1.0
187.14699	2.6
189.11230	2.4
189.12738	1.0
193.10390	0.8
193.12265	2.3
195.11682	3.3
197.13278	3.5
199.11179	1.5
199.14775	2.8
201.12764	1.2
201.16441	0.6
205.10222	0.5
207.11656	1.2
209.13255	2.7
210.08971	1.2
211.14825	1.8
213.12770	1.2
213.16418	1.1
215.14236	0.7
219.11572	0.7
221.13284	1.1
223.14824	2.5
225.12666	0.6
225.16422	0.9
227.12616	3.6
227.31323	0.5
229.14207	1.1
233.13290	0.8
233.15321	0.7
233.46454	0.5
235.14886	0.9
237.16432	1.2
239.18010	0.9
241.19601	1.2
243.15894	0.7
249.18546	0.6
253.15848	0.6
255.17554	0.6
257.18994	1.1
259.20541	2.4
263.17960	0.7
265.19412	0.7
267.15750	3.0
271.17004	0.6
271.20428	0.5
273.18546	0.6
275.20053	2.0
277.21719	1.3
279.21268	0.6
283.20529	1.1
297.22128	1.8
299.20370	0.9
299.23627	4.5
301.21585	0.9
309.21976	0.8
311.23425	0.5
313.21545	1.2
315.23230	0.7
321.21924	0.6
325.21716	0.6
327.23331	0.6
333.24170	1.7
335.23557	0.8
339.23166	1.4
341.24582	0.5
353.24792	0.8
355.26633	0.7
357.24323	1.2
371.25998	1.0
415.30014	2.1
417.26428	0.7
421.25702	0.7
423.32547	1.2
433.30939	6.8
435.27344	1.0
438.05655	0.5
451.32056	8.9
469.33176	5.0
487.34100	1.1
489.33740	0.9
507.34796	2.2
515.37372	1.4
525.35693	19.0
525.43604	1.0
543.36761	100.0
544.37152	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
52.63749	0.6
53.03934	1.9
55.01857	2.3
55.05500	17.5
57.03433	4.2
57.07054	1.2
57.33596	0.6
59.04990	0.9
65.03926	1.1
67.05493	25.9
69.03411	1.7
69.07054	7.0
71.04965	2.2
79.05484	17.2
80.05798	0.7
81.03412	6.7
81.07043	22.1
83.04965	2.2
83.08604	8.1
85.06530	1.7
91.05463	15.9
93.07030	17.0
95.04947	6.5
95.08597	11.6
97.06551	3.3
97.10159	8.6
98.21406	2.1
99.08088	0.7
105.07018	16.1
106.07407	0.7
107.04943	3.0
107.08576	12.0
109.06500	2.3
109.10137	8.8
111.08060	2.5
115.05438	1.2
117.07001	10.8
119.08567	13.2
121.06467	3.3
121.10113	5.4
123.08034	2.4
123.11702	2.6
125.09618	6.6
128.06210	1.7
129.06989	8.3
129.96059	0.6
130.07651	0.8
131.08551	14.1
131.09541	0.9
133.06450	1.5
133.10109	9.8
135.08022	3.1
135.11679	3.3
137.09618	1.7
141.06979	3.3
142.07704	1.8
143.08536	8.1
144.09258	0.6
145.06464	2.5
145.10112	13.0
147.08037	1.9
147.11662	5.8
149.09659	1.6
149.13251	1.1
151.11197	1.2
153.07062	0.6
153.09164	1.0
154.07678	1.1
155.08549	5.6
156.09285	1.1
157.06476	0.9
157.10098	9.4
159.08083	3.3
159.11658	8.4
159.12772	0.8
161.09679	1.1
161.13312	3.0
163.11168	2.0
167.08545	2.8
168.09280	1.0
169.10123	5.9
171.07997	1.4
171.11662	6.6
173.09637	2.1
173.11812	1.3
173.13188	4.7
175.11171	1.4
175.14792	2.0
179.08485	0.6
179.14313	0.8
181.10104	2.8
181.11710	0.5
182.10899	0.8
183.11635	5.8
185.09576	1.7
185.13210	6.4
187.11205	2.2
187.13310	0.8
187.14832	2.5
189.11214	4.4
189.12675	1.1
193.10181	1.3
193.12263	2.2
195.11630	3.7
197.13181	3.5
199.11168	2.0
199.14780	3.2
201.12729	1.4
201.16541	0.7
203.10619	0.9
207.11745	1.1
209.13309	2.4
211.14890	2.5
213.12857	1.0
213.16451	1.1
215.14249	0.7
217.15730	0.6
221.13306	0.8
223.14885	1.8
225.12894	0.7
225.16368	1.2
227.12584	3.4
229.14232	1.0
231.17542	0.7
233.15456	1.0
235.14946	0.8
241.19501	1.1
243.15800	0.8
247.16869	0.8
257.18936	2.0
257.75867	0.7
259.20557	2.7
265.19403	0.8
267.15952	2.4
275.20068	1.8
283.20572	2.2
287.19855	0.8
297.22061	1.9
299.20328	1.1
299.23602	7.1
301.21622	1.9
311.20148	0.8
311.23740	0.8
313.21542	1.0
315.23093	1.0
321.22122	0.7
325.21661	1.2
333.24121	1.9
335.23782	0.8
339.23090	1.2
343.22772	0.8
353.24661	0.9
357.24393	1.3
361.59381	0.7
371.25739	1.3
377.24429	0.8
405.31863	0.9
415.29858	2.1
421.25992	1.3
423.32498	1.3
433.31036	8.2
435.27173	1.2
451.31970	10.3
469.33176	5.8
487.33975	1.4
489.33185	0.7
490.12396	0.7
507.34656	1.9
515.37250	1.5
525.35730	21.6
526.35211	0.7
543.36719	100.0
544.37152	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97165	0.6
53.03938	3.9
54.30031	0.7
55.01619	0.7
55.01867	6.9
55.05503	20.3
56.05855	0.7
57.03437	4.5
57.07063	1.9
59.04978	0.8
59.17358	0.7
65.03940	3.3
67.05495	47.2
69.03410	2.2
69.07057	20.2
71.04966	3.4
71.08630	0.9
71.75031	0.9
77.03896	0.7
79.05481	38.0
80.93186	0.7
81.03410	5.5
81.07044	48.5
82.52361	0.8
83.04962	5.4
83.08606	12.3
85.02898	0.7
85.06528	2.5
91.05464	32.2
92.05801	0.7
93.07032	37.2
94.07405	0.8
95.04945	8.3
95.08590	23.5
96.99676	0.7
97.06520	9.3
97.10144	7.8
99.08076	1.3
103.05405	1.6
105.04528	1.1
105.07015	29.6
107.04979	5.2
107.08582	29.0
107.09319	1.4
109.06513	4.4
109.10146	10.6
111.08096	3.4
113.09663	0.7
115.05449	2.0
117.06162	0.9
117.07000	15.7
119.08568	19.2
119.09396	1.4
121.06490	2.9
121.10128	12.4
123.08070	3.5
123.11706	3.0
125.09616	7.2
128.06215	1.5
129.06972	7.5
130.07751	0.9
131.08551	20.4
133.06488	2.9
133.10117	18.7
135.08055	3.8
135.11682	7.6
137.09552	1.1
139.11212	1.0
141.06976	2.9
142.07747	1.8
143.08524	8.7
144.09306	1.1
145.06488	2.4
145.10106	16.3
145.11208	1.3
146.10519	1.2
147.08054	1.9
147.11665	9.7
149.09583	6.5
149.13225	7.6
151.11168	2.8
153.09129	1.4
154.07721	0.9
155.08568	5.1
156.09297	1.0
157.10127	7.8
159.08026	2.2
159.11681	13.7
161.09634	2.2
161.13261	4.8
163.11183	4.7
163.14767	1.2
167.08600	1.7
168.09279	1.2
169.10170	4.8
171.07930	0.9
171.11668	6.9
173.09604	2.0
173.11775	1.5
173.13264	5.7
175.11198	2.3
175.14787	1.6
177.12749	2.7
179.08672	0.8
179.14313	3.5
181.10110	1.9
181.12265	0.7
183.08165	0.7
183.11662	5.3
185.09651	2.0
185.13211	4.5
187.11174	2.1
187.14806	1.9
189.11198	4.7
189.12698	1.1
189.16447	1.0
193.12280	1.0
195.11697	3.2
195.13809	2.6
197.13222	5.0
199.14806	2.4
201.12869	0.8
201.16292	1.1
203.17822	1.0
205.12177	1.0
207.11818	0.8
209.11574	1.4
209.13300	2.4
211.11284	0.9
211.14838	1.9
213.12758	1.2
213.16454	1.5
223.14873	1.2
225.16341	1.7
227.12581	3.4
229.19524	1.3
237.16400	1.0
239.17955	2.1
247.20726	1.4
257.18964	6.7
259.20499	1.2
265.19611	0.8
269.17462	2.0
271.17014	1.1
271.20383	0.9
273.18433	0.8
275.20007	23.5
276.20480	1.0
277.21649	1.7
283.20529	1.8
293.21124	2.7
295.20587	1.0
299.20306	0.9
299.23718	2.8
301.21616	2.8
313.21497	0.8
331.22705	1.8
339.23123	1.6
349.23685	0.7
355.26572	0.9
357.24435	1.6
375.25418	0.9
415.29987	1.2
423.32825	1.2
431.27823	2.6
433.31033	6.4
434.77716	0.8
451.32065	9.4
452.32465	0.9
469.33206	7.2
487.34125	2.1
499.34610	0.8
507.34802	2.0
515.37201	1.9
525.35773	21.8
526.36426	1.6
543.36737	100.0
544.37177	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	543.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
53.05886	0.6
55.01865	3.5
55.05504	19.1
57.03431	4.3
59.05001	1.0
65.03920	1.4
67.05496	27.7
69.03408	2.4
69.07063	9.6
71.04969	2.7
79.05484	21.5
81.03407	4.5
81.07047	25.1
83.04959	2.0
83.08609	9.0
85.06524	1.6
91.05467	19.3
93.07030	18.5
93.07640	0.8
95.04954	6.4
95.08592	16.4
97.06526	2.9
97.09557	1.0
97.10160	11.1
97.52236	0.6
99.08028	0.7
103.05459	1.1
103.54877	0.6
104.07510	0.5
105.07016	19.3
107.04945	2.8
107.08582	13.5
109.06509	2.3
109.10137	8.9
111.04445	0.8
111.08061	2.0
113.06020	0.6
115.05424	1.8
117.07001	13.0
119.08567	15.5
121.06501	3.6
121.10141	7.3
123.08027	2.8
123.11686	2.1
125.09621	8.6
128.06232	2.0
129.06987	10.4
130.07773	1.2
131.08554	18.8
133.06485	1.4
133.10104	9.5
135.08066	4.6
135.11690	4.4
137.09569	0.9
139.11119	1.1
141.06958	3.5
142.07784	2.6
143.08548	11.6
143.10472	0.6
144.09288	0.8
145.06453	2.4
145.10109	14.7
147.08035	2.7
147.11662	5.1
149.09595	2.8
149.13252	2.2
151.11174	1.1
154.07686	0.8
155.08519	5.2
156.19510	0.6
157.10103	9.5
159.08069	3.4
159.11676	12.3
161.09593	2.0
161.13240	4.0
163.11154	2.4
167.08551	2.5
168.09326	0.7
169.10124	7.3
171.07985	1.6
171.10307	1.2
171.11668	9.6
173.09625	2.3
173.13232	6.9
175.11163	1.9
175.14809	1.9
177.12695	1.3
179.08597	1.4
181.10048	4.3
182.10834	0.7
183.08218	0.7
183.11667	6.9
184.07303	0.8
185.09612	2.0
185.13229	7.3
187.11084	2.8
187.14835	3.5
189.11218	5.0
189.12674	1.0
192.09190	0.8
193.10059	0.7
193.12302	1.0
195.11685	4.2
195.13589	0.8
197.13208	4.3
199.11157	1.5
199.14738	3.6
201.12724	0.9
201.16418	0.9
205.15852	0.7
207.11765	1.0
209.13153	2.9
211.11192	0.9
211.14723	3.2
213.12778	1.1
213.16293	1.3
215.14366	0.8
217.15854	0.9
219.11685	0.9
221.13231	1.4
223.14883	2.4
225.12775	1.0
225.16431	1.4
227.12656	7.7
229.16026	0.8
229.68796	0.6
231.17482	0.6
233.15410	1.2
235.14757	1.3
237.16479	1.2
239.18019	0.9
241.19472	0.8
245.60619	0.6
247.16931	1.2
249.16466	0.8
251.18208	0.7
257.18884	0.9
259.20593	2.1
263.18173	0.9
265.19687	1.0
267.15976	2.5
271.16913	1.0
271.20621	0.8
273.18478	0.8
275.20029	2.2
277.21713	1.2
283.20535	2.9
285.22049	0.8
287.19928	0.9
297.22110	2.2
299.20331	1.4
299.23639	8.6
301.21704	2.1
311.20068	1.0
315.23090	1.1
321.22037	0.8
325.21600	0.9
327.22952	0.8
329.21219	0.7
333.24127	1.1
339.23276	1.7
343.22546	0.8
353.24649	1.0
355.26321	1.2
357.24231	1.0
403.24606	1.0
415.30017	2.8
421.25986	2.6
423.32501	1.2
431.28000	0.9
433.31061	7.3
435.27161	1.3
451.32071	12.3
452.33002	0.9
469.33270	5.5
487.34064	1.2
507.34662	2.4
524.42499	0.6
525.35712	28.1
526.36090	1.1
543.36761	100.0
544.37164	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	543.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01179	1.6
55.01468	3.9
55.01662	1.1
55.01861	11.7
57.03420	4.7
61.02903	1.3
65.03920	6.7
67.01834	1.5
67.05486	1.9
68.99783	2.8
69.03408	6.4
70.06580	1.3
70.61292	0.8
71.01336	2.3
71.78544	2.0
73.02901	2.3
79.01837	1.6
79.05469	3.3
81.03401	14.4
81.05785	1.3
81.07083	1.3
82.06561	1.1
83.01325	1.3
83.04964	3.0
85.02886	16.6
88.45438	1.1
91.05453	8.1
93.03381	8.9
95.01303	3.4
95.04960	6.9
96.08117	2.9
97.02872	18.7
103.03921	4.3
103.05444	5.5
105.03390	6.6
105.07011	4.6
107.01318	1.6
107.04932	42.3
109.02861	23.0
110.03645	3.0
111.04417	1.5
114.09147	54.1
115.05434	8.3
115.09468	10.8
117.07001	13.2
119.04920	18.7
119.08564	3.7
121.02839	73.6
121.06477	15.2
123.04412	10.9
125.02361	1.0
127.03894	5.3
128.06200	3.7
129.06972	7.2
130.08647	1.0
131.04895	10.3
133.02802	6.5
133.06465	4.9
135.00752	2.7
135.04384	33.9
136.03967	1.6
137.02328	3.4
137.05946	1.6
139.03865	2.5
141.05524	1.3
141.06953	5.7
143.04895	2.9
145.02832	4.0
145.06470	22.1
147.04381	42.7
147.08052	2.9
147.11638	1.0
148.89828	1.0
149.02292	8.6
149.05927	4.5
151.03867	9.8
152.06183	1.9
153.01762	1.7
153.06892	1.8
155.04854	2.7
155.06010	1.2
157.06468	7.4
159.04398	10.8
159.08034	2.3
161.02290	6.5
161.05943	5.6
163.03911	6.8
165.01826	9.2
165.05363	0.9
165.06972	1.1
167.03406	1.2
169.06488	4.2
169.69403	0.9
171.04369	6.7
171.28290	1.0
173.02354	3.0
173.05952	52.7
174.11250	3.4
175.00244	2.7
175.03857	14.4
175.07518	3.8
177.01790	24.4
177.05438	10.0
179.03383	3.0
181.01311	1.9
181.04976	1.9
181.06479	2.7
183.02876	5.8
183.04262	1.8
184.05112	1.2
185.05925	14.9
187.03853	13.5
187.07477	5.2
189.01799	30.9
189.05365	4.6
189.12750	1.9
191.03380	12.4
193.01341	4.4
193.04919	3.6
195.02856	54.7
197.05888	9.5
199.03828	7.8
199.07487	2.4
200.04626	1.8
201.01765	12.8
201.05409	34.0
203.03355	26.9
203.06943	4.6
205.01268	6.2
205.04912	5.3
207.02852	27.3
209.00722	1.1
209.04419	3.8
209.06128	2.1
211.04050	2.0
211.07474	1.4
212.04686	1.2
213.01825	2.1
213.05431	12.6
215.03362	23.6
215.06978	4.0
217.01225	7.0
217.04855	8.2
217.08380	1.1
218.02046	1.3
219.02829	24.0
221.00789	18.7
221.04294	11.0
222.01569	4.2
223.02254	15.7
225.05489	10.4
227.03360	14.4
227.06952	3.0
228.04117	1.3
229.01341	3.6
229.04901	28.6
231.02837	91.3
231.06552	3.6
232.03253	1.7
233.00804	2.8
233.04341	12.3
235.02357	4.6
235.05936	2.2
237.03709	2.3
239.03546	2.3
240.04265	1.3
241.01199	4.0
241.04942	13.4
243.02840	100.0
243.06380	10.1
244.03439	2.7
245.04393	15.0
247.02374	6.2
247.05902	2.5
249.03897	41.9
251.01839	3.3
252.04276	1.2
253.04944	14.0
255.02831	21.6
255.06526	3.7
256.03540	1.5
257.00589	2.5
257.04391	19.2
258.05096	3.7
259.02386	14.0
259.05988	4.0
261.03891	41.0
263.01941	2.8
263.05383	1.5
265.04977	3.8
267.02890	6.8
267.06583	3.3
269.04404	42.8
270.05072	1.6
271.02393	7.9
271.06021	14.9
273.03879	42.3
275.02087	1.5
275.05560	3.3
277.03436	3.0
279.04825	4.9
280.03909	1.2
281.04364	15.5
281.07474	1.2
281.16617	1.0
283.02576	2.3
283.05954	8.5
285.03922	29.0
285.07523	3.0
287.05457	9.8
289.03384	13.7
289.06702	1.6
291.04947	27.2
293.04465	4.7
295.02618	2.2
295.06018	4.8
297.03946	97.8
297.07507	16.0
298.04318	2.2
299.05460	23.7
301.03421	4.2
301.06860	2.2
303.05002	7.9
307.04477	5.6
309.03891	28.9
309.07343	9.8
311.05365	8.7
313.03546	1.6
313.06812	4.6
315.04932	40.6
317.06683	3.0
318.15399	1.9
321.03717	2.5
321.07413	3.1
323.05508	9.4
324.06339	1.5
325.05786	4.2
327.04913	99.5
328.05411	2.0
329.06512	2.4
331.08145	1.3
333.05923	1.3
336.16415	1.5
339.04898	34.5
339.08377	1.6
341.06464	3.6
345.05975	46.4
351.04849	4.3
351.08594	32.6
351.13004	1.3
352.09363	1.4
353.06421	1.6
357.05960	39.5
359.08142	1.1
363.08575	29.4
369.05908	19.3
369.10022	1.5
375.07007	32.1
377.06354	2.1
379.08194	4.5
381.09576	12.2
387.07013	27.6
391.08014	9.8
393.08893	36.9
399.10406	1.5
405.08154	73.3
409.09103	4.9
411.10666	30.1
417.09589	77.5
419.11285	2.8
421.09195	1.6
423.09195	59.4
427.10172	24.0
427.15948	1.4
429.11862	42.3
435.10742	5.1
441.10419	2.1
447.10660	58.3
459.10654	21.8
459.16785	1.8
465.11725	48.1
466.12164	1.3
471.10910	2.9
477.11734	46.2
483.13083	1.6
489.11618	14.0
495.12772	88.6
496.12833	2.3
501.30240	1.1
507.12808	21.4
524.28522	2.0
525.13782	33.0
525.28430	4.8
542.29492	7.4
543.14874	56.9
543.29535	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	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84428	0.3
56.46990	0.4
63.96488	0.4
71.56707	0.4
72.49214	0.4
74.04127	0.3
113.52113	0.3
199.68942	0.4
268.18283	0.4
353.30096	0.3
381.07925	11.8
382.07773	0.4
543.13171	100.0
544.13422	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	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.2
65.17144	0.4
69.03405	0.6
70.53639	1.2
79.73215	0.3
84.08127	0.6
85.02892	1.2
97.02853	0.5
98.97588	1.8
112.99094	0.7
116.98632	1.2
118.07946	0.4
119.01936	0.8
123.60769	0.4
127.03905	1.1
128.98618	0.6
131.00151	1.1
131.01895	0.8
143.01961	0.8
145.03444	0.4
146.99641	0.6
149.01190	0.4
155.01924	0.6
161.03026	0.8
163.02704	0.5
173.02950	1.7
174.03052	0.4
175.02734	0.5
177.00664	0.7
189.00737	0.7
191.02293	1.0
201.00691	1.0
215.02202	0.5
219.01715	0.7
237.02832	0.9
245.04944	1.0
247.04942	0.9
259.07047	0.4
261.02808	0.5
279.03629	0.5
305.07074	0.5
306.07175	0.5
310.51202	0.4
321.10269	1.6
337.08395	1.3
355.08990	1.1
363.07010	0.6
381.07880	14.0
388.17502	0.4
423.07956	0.8
476.00186	0.4
534.35687	0.4
543.13159	100.0
544.13617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27588	2.1
52.23413	2.0
55.05507	10.6
55.68938	2.0
57.03426	14.3
57.06823	2.8
57.07067	29.9
67.05495	43.9
69.07059	20.1
69.70551	17.2
70.06573	2.4
71.08619	23.3
72.40636	1.8
79.05492	22.3
81.07044	60.6
82.07360	2.5
83.04959	3.8
83.08597	17.8
85.06537	3.9
85.10158	9.7
88.07623	2.7
89.06007	5.7
91.05466	9.1
93.07033	34.2
95.04914	2.1
95.08588	28.5
95.71181	2.3
97.06493	7.7
97.10149	6.5
98.21447	2.4
105.06999	4.3
107.08587	25.2
109.10153	9.4
111.08086	3.8
111.11651	2.8
117.06971	3.3
119.08573	3.8
121.10144	15.0
123.11729	3.2
131.08562	4.9
133.10139	5.5
135.11626	3.5
137.13223	2.2
145.10089	2.8
149.13203	24.2
159.11719	10.4
177.12781	4.6
195.13734	10.2
240.19606	2.6
256.26425	2.8
269.17435	100.0
312.29745	3.6
313.27301	75.3
334.40237	2.2
507.40384	83.0
508.40625	4.8
542.54651	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
56.04967	0.7
57.03412	0.8
61.02921	0.9
69.03414	2.0
69.59959	6.7
70.06583	1.5
72.08152	0.9
73.02908	0.7
73.32549	0.6
79.05483	1.5
81.03409	1.2
81.07042	1.3
84.68356	0.6
85.02878	5.2
91.05467	1.9
93.07012	1.0
94.04170	1.6
95.08576	1.3
97.02865	1.8
98.20713	1.3
103.05454	7.2
105.07043	3.2
107.04943	1.5
109.02847	0.9
109.06534	1.2
111.08056	1.5
111.20206	0.8
114.09157	8.6
114.09955	0.9
114.10229	0.6
115.05463	0.9
117.06998	0.9
119.04909	1.4
119.08586	1.5
121.06491	3.0
122.03654	5.5
123.08041	1.1
127.03915	1.5
129.07005	0.8
130.08601	1.6
131.04919	10.1
133.06470	18.0
133.07491	0.9
135.08043	6.4
137.05957	100.0
138.06268	0.8
140.07042	0.7
143.08568	0.9
145.04959	1.2
145.06436	3.0
146.08083	2.6
147.04375	0.8
147.08023	2.2
149.05934	1.9
149.78246	0.6
151.07509	6.6
157.06470	0.8
162.06754	0.8
163.07518	31.4
165.09093	0.9
171.08028	2.4
174.06682	0.9
174.11253	3.1
175.03925	0.9
175.07509	2.6
175.14859	1.0
177.02144	0.7
177.05446	0.7
177.09081	11.7
187.07477	0.7
188.08237	1.3
189.09117	3.3
193.08572	1.1
203.10646	4.9
207.06447	1.3
211.09601	1.4
212.73871	0.7
217.67801	0.7
219.10098	1.0
220.08730	0.7
221.11833	4.6
235.11102	1.0
263.10623	1.7
277.26376	0.6
295.13235	14.7
327.15878	28.3
345.13348	0.8
345.16705	3.6
542.20428	1.9
542.29388	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	542.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.3
57.03426	0.4
69.03419	0.6
69.95548	1.7
69.95966	0.8
70.06590	1.1
76.63979	0.3
79.05499	1.1
81.03417	0.8
84.04514	0.7
85.02902	2.0
86.06062	0.4
91.05457	1.1
93.07021	1.2
94.06537	0.4
95.04909	0.4
96.08108	0.9
97.02887	0.7
98.06041	2.1
98.20618	0.4
98.97565	1.5
101.77663	0.4
103.05450	6.8
107.04956	1.9
114.09113	0.4
116.98607	1.2
119.04908	1.4
120.08086	100.0
121.08434	0.7
122.06050	0.8
127.03859	0.7
128.98602	0.5
130.08640	2.0
131.04878	3.0
133.06274	0.4
134.99623	0.7
135.04387	0.5
136.03922	1.0
136.06133	0.8
137.05952	1.6
140.07042	10.8
141.07396	0.4
145.04947	0.4
147.04395	2.4
149.05934	2.2
158.08167	0.6
161.01254	0.5
163.03928	0.6
166.08612	59.1
167.07040	1.6
177.00578	0.9
179.07039	2.5
219.01724	0.8
237.02676	2.3
307.98328	0.4
315.12244	0.4
418.09824	0.7
445.10162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01853	2.2
55.05502	13.6
57.03429	2.8
57.07067	8.1
59.04979	0.8
65.03923	1.7
67.05492	25.2
69.03413	1.0
69.07059	11.2
70.06584	4.4
71.04969	1.5
71.08305	0.4
71.08623	3.7
73.02879	0.5
73.06528	0.5
77.03896	0.5
79.05480	24.8
81.03400	1.1
81.07043	24.4
83.04965	2.5
83.08607	6.6
83.20010	0.5
85.01597	0.5
85.06527	1.6
85.10158	1.3
88.07613	6.6
89.07929	0.6
91.05462	18.6
91.54276	0.5
93.07031	23.2
94.29598	0.4
95.04945	5.0
95.08591	16.5
97.06511	2.5
97.10150	3.7
98.21447	1.1
99.08046	0.7
102.09164	4.3
103.09500	0.8
105.04487	0.6
105.07009	16.0
106.08627	0.5
107.04940	1.1
107.08571	11.1
109.06510	2.2
109.10130	6.6
111.08065	1.0
111.11668	0.7
115.05405	1.2
117.07001	7.9
119.08565	12.9
121.06461	0.8
121.10119	6.8
123.08073	1.9
123.11697	1.4
125.09616	2.2
128.06223	2.2
129.05490	0.5
129.06978	10.9
130.07744	0.6
131.08549	14.5
133.10107	6.6
135.08005	0.7
135.11662	4.3
137.09616	0.8
139.11212	0.6
141.06946	3.3
142.07700	2.5
143.08540	14.6
145.06424	0.6
145.10098	13.5
147.07994	0.8
147.11667	6.7
149.09647	0.8
149.13240	2.0
154.07726	0.9
155.08519	8.4
156.09372	1.5
157.10120	10.3
159.11650	6.0
161.09642	1.0
161.13232	3.4
163.14780	1.3
165.06975	0.6
167.08557	3.0
168.09320	0.9
169.10103	11.2
170.10863	0.7
171.08092	0.6
171.11668	11.5
171.13037	1.0
172.24655	0.6
173.09630	0.7
173.13214	3.7
175.14795	1.7
177.16415	0.7
179.08553	1.4
181.10080	6.7
182.10808	0.6
183.11674	7.1
184.12494	0.5
185.09676	0.6
185.13231	5.4
187.11269	0.6
187.14740	3.2
189.12698	1.8
193.10144	1.7
194.10858	0.5
195.11665	4.4
197.13225	5.1
199.13222	0.9
199.14783	4.1
201.16362	1.7
207.11674	1.4
207.13808	3.3
209.13208	3.2
211.14763	4.2
213.16397	3.1
215.17950	0.7
221.13257	2.2
223.14792	2.6
225.16432	3.0
227.18015	1.7
235.14847	2.2
237.16397	2.0
239.14424	0.7
239.18059	2.3
241.19521	0.6
243.21111	1.4
249.16374	1.4
251.17918	1.1
253.19540	1.5
255.17403	0.7
256.26303	8.3
257.26636	7.3
261.22116	2.5
263.17953	0.8
265.19482	1.2
267.17590	0.6
267.21155	0.8
271.17358	0.7
275.27853	0.6
279.20959	1.0
281.17453	1.9
283.26346	2.3
284.27023	2.3
284.29535	2.4
285.18600	0.8
285.22076	0.7
285.29770	2.0
295.20544	0.6
297.22079	0.9
305.22653	0.6
311.20306	0.6
311.23694	1.5
311.29416	6.4
312.29691	6.8
315.23380	0.6
317.24832	3.4
323.23611	0.9
325.25278	1.3
337.21606	0.7
337.25296	2.0
355.26270	0.7
365.24408	0.6
379.25876	1.1
381.28021	0.8
393.27716	0.7
399.28970	0.6
407.29437	0.9
431.33203	4.5
449.34137	13.0
450.35269	0.6
467.35117	5.4
485.36139	2.4
487.35846	1.1
497.35809	0.9
505.36887	1.5
523.37738	10.8
540.53583	2.6
541.38867	100.0
541.53448	39.0
542.39008	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	541.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.6
51.02368	1.0
53.00310	0.5
53.03933	5.6
53.69384	0.4
55.01863	2.5
55.05501	23.0
57.03431	2.4
57.07070	6.7
58.07387	0.5
58.09006	0.5
65.03921	4.7
67.05492	69.7
69.03413	1.2
69.07056	16.1
70.06576	3.7
71.04977	2.3
71.08610	3.7
73.02909	0.6
73.06539	1.7
74.06081	0.6
77.03915	1.6
79.05479	83.6
80.05813	0.5
81.03405	8.5
81.07041	59.4
82.07404	0.8
83.04970	9.5
83.08603	8.4
85.02859	0.6
85.06533	2.3
85.10179	1.2
88.07607	5.8
89.07977	0.5
91.05463	60.2
92.05797	0.5
93.07027	73.0
94.07336	0.5
95.04950	22.0
95.08588	40.0
97.02883	1.2
97.06506	4.5
97.10143	4.5
98.21547	0.7
99.08092	1.0
102.09155	4.0
103.05452	1.5
105.04519	2.2
105.07012	40.7
107.04955	5.3
107.08572	25.7
109.06506	5.6
109.10136	9.8
111.08060	2.1
115.05453	1.3
117.07003	12.0
117.07857	0.4
119.08560	25.0
121.06475	2.5
121.10119	17.7
123.08044	3.5
123.11701	2.2
125.09579	1.0
127.07520	1.2
128.06204	2.5
129.06979	12.2
130.07790	0.6
131.08545	10.4
133.06464	1.0
133.10110	14.5
133.11125	0.8
135.08011	0.7
135.11671	9.4
137.09567	1.1
141.06973	1.3
141.09050	0.8
142.07758	1.0
143.08533	9.2
145.10103	12.7
147.08006	2.3
147.11659	28.0
149.09586	0.5
149.13239	3.4
151.11150	0.7
155.08519	1.3
156.09338	1.2
157.10124	2.2
159.11668	4.6
161.09641	3.0
161.10886	0.4
161.13225	10.3
163.11133	0.6
163.14809	1.1
169.10150	2.1
171.11658	21.5
173.13234	2.9
175.14838	1.3
177.12694	0.7
177.16417	0.5
179.14336	0.8
181.10199	0.7
183.11697	1.5
185.13280	1.7
187.14790	1.1
189.12695	8.9
195.11678	0.5
197.13258	1.3
199.14865	1.1
201.16379	0.7
207.13771	25.5
209.13257	0.8
211.14825	0.9
225.14642	2.8
241.19482	0.6
243.21085	1.2
256.26291	7.3
257.26642	6.4
259.20633	0.5
261.22113	4.8
274.27261	0.8
274.70248	0.5
275.27969	0.8
281.17474	1.3
283.26208	2.1
284.26605	1.7
284.29535	2.1
285.29849	1.4
311.29410	6.7
312.29691	6.9
317.24759	1.8
431.32913	0.7
449.34271	2.4
467.35153	1.0
485.35959	0.8
489.69351	0.6
523.37927	1.3
540.53381	3.1
541.38849	100.0
541.53387	32.4
542.39331	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	541.388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.7
50.25812	0.6
51.02371	0.9
53.03934	5.9
55.01865	3.2
55.05501	22.6
57.03424	3.4
57.07064	3.1
59.04981	0.9
65.03932	3.9
67.05492	65.3
69.03413	2.1
69.06674	0.9
69.07055	17.4
70.06573	0.9
71.04974	3.3
71.08614	1.7
71.79843	0.9
73.06548	1.0
79.05479	80.1
80.05807	0.6
81.03403	7.6
81.07040	55.6
82.07400	0.7
83.04967	10.5
83.08604	9.5
85.06530	2.6
85.10188	0.9
87.04458	0.9
88.07634	1.7
91.05465	55.9
93.07027	73.2
95.04953	20.5
95.08589	38.1
96.08934	1.0
97.02857	0.8
97.06509	4.9
97.10149	3.5
102.09151	1.8
102.25469	0.7
103.05457	1.3
105.04491	1.9
105.07010	35.4
106.07305	0.7
107.04936	5.3
107.08573	25.9
109.06487	4.0
109.10130	11.1
111.08077	1.0
115.05432	2.2
117.07000	10.4
119.07713	1.2
119.08563	25.1
121.06510	1.9
121.10123	15.5
123.08048	4.3
123.11710	2.2
125.09621	0.8
127.07520	1.3
128.06218	2.6
129.06978	12.9
130.07765	0.8
131.08551	9.1
133.06464	1.0
133.10106	14.5
135.08047	0.9
135.11681	9.5
137.09628	1.1
141.06973	0.9
141.09111	0.8
142.07721	0.7
143.08519	8.2
145.06389	0.7
145.10103	11.9
147.08047	1.6
147.11661	29.6
149.13248	4.5
151.11230	0.6
155.08543	1.5
156.09334	1.1
157.10118	2.0
159.11696	4.8
161.09608	2.8
161.13225	11.1
163.11195	0.8
169.10138	2.4
171.11656	20.2
173.13252	3.0
175.14777	1.5
183.11674	1.6
184.07283	0.6
185.13191	1.8
187.14792	1.6
189.12692	8.9
197.13191	0.7
207.13771	23.1
208.14185	0.7
211.14777	0.9
223.14662	0.6
225.14876	2.5
243.21089	0.9
256.26361	2.4
257.26764	1.9
259.20673	0.7
261.22058	3.1
281.17532	1.8
284.29523	0.9
311.29483	2.1
312.29672	2.9
317.24747	1.8
351.08353	0.6
377.72729	0.7
431.33679	0.9
449.34253	2.0
467.35184	1.2
485.36145	0.7
523.37823	1.5
540.53809	0.8
541.38879	100.0
541.53662	10.9
542.39099	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	541.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	6.5
57.07069	20.4
58.06582	1.8
65.03934	1.7
67.05486	11.6
69.07076	8.5
70.06582	18.7
71.08611	10.2
71.79887	2.7
71.80251	2.0
73.02895	2.2
79.05485	6.8
81.07045	16.1
83.08608	7.6
85.10166	3.8
88.07619	21.7
89.07929	2.0
91.05465	5.5
93.07027	15.0
95.04951	4.8
95.08592	19.5
96.08895	1.7
97.06515	3.3
97.10180	2.4
102.09159	15.8
103.73898	1.7
105.07018	13.3
107.08588	17.1
109.10136	10.9
111.08071	2.8
117.07011	3.4
119.08543	10.0
121.10139	20.0
123.08073	3.6
131.08566	7.4
133.06461	10.0
133.10117	10.2
135.08044	3.0
135.11674	7.4
137.09560	2.1
143.08542	3.8
144.46658	1.7
145.10117	8.9
147.08089	2.8
147.11682	8.0
149.09604	1.9
149.13281	4.0
157.10101	9.8
159.11670	12.1
161.13182	5.4
163.14784	6.5
169.10143	2.8
170.10909	2.5
171.11662	10.6
173.13260	9.7
175.14781	5.8
177.12616	1.9
177.16370	10.9
183.11696	1.9
185.13261	6.7
187.14793	16.9
189.16379	4.2
195.11681	2.3
197.13235	4.3
199.14798	6.9
201.16374	6.5
203.17914	3.1
207.13733	2.0
211.14783	5.3
213.16451	3.5
215.14345	2.5
215.17979	1.8
219.13928	2.1
231.13608	2.2
233.15442	2.4
239.17953	2.3
247.16907	2.5
253.19463	3.1
256.26312	34.5
257.26669	13.7
259.16858	2.1
267.20901	2.1
273.18445	2.5
274.27438	3.5
275.20670	2.1
283.26346	10.4
284.26706	3.4
284.29443	7.9
285.29779	5.1
295.10736	1.9
311.29373	30.4
312.29712	21.3
375.30341	5.4
403.29886	10.5
421.30966	20.1
431.29410	6.6
435.32632	11.4
439.32095	5.7
449.30423	46.6
463.31805	3.5
467.31158	8.9
481.33066	6.3
495.34662	2.8
496.77847	1.7
515.55396	1.8
540.53394	44.9
541.35339	6.6
541.53784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01856	0.8
55.05494	0.9
55.16713	0.6
57.03429	0.6
61.02890	0.8
67.05493	0.9
69.03407	2.2
70.06555	0.9
71.08389	1.2
71.08736	0.9
74.09690	0.8
79.05457	1.4
81.03397	2.3
81.07036	2.0
83.04978	0.6
84.08144	0.6
85.02899	5.4
86.09657	1.0
91.05469	8.9
93.07014	1.5
94.04176	1.0
95.04955	2.7
95.08584	0.7
97.02859	1.7
100.11238	1.3
103.05451	8.3
105.07002	2.6
107.04902	1.9
109.02870	2.3
109.06487	1.8
110.10551	0.6
111.04382	0.7
112.07607	1.3
114.09152	1.4
117.07005	2.3
117.42815	0.6
119.04938	9.4
119.08558	1.3
120.08096	0.7
121.06478	3.1
122.03620	3.0
123.08025	1.1
127.03891	2.3
128.06183	1.0
128.07031	0.8
129.06972	3.3
130.08638	16.7
131.04915	15.6
131.08531	0.9
133.06442	1.5
133.10146	0.7
135.08012	2.0
136.05190	1.2
137.05960	44.0
138.06293	2.5
143.08524	0.8
145.06456	1.4
147.04391	4.0
148.11238	1.1
149.05992	4.3
151.03925	1.1
151.07529	35.9
154.08609	8.5
157.06496	2.2
159.07990	0.6
161.05936	5.1
161.09644	0.8
162.06723	2.3
163.07524	45.5
165.07010	1.1
165.09000	1.4
167.07056	1.0
167.08530	2.8
171.07968	1.7
174.06706	1.9
175.03922	5.3
175.07512	6.0
177.09088	100.0
178.07825	1.1
178.09344	1.0
181.08699	0.7
189.09091	10.6
191.08556	0.7
193.06482	1.7
193.10181	1.7
195.08044	6.5
195.10146	2.7
197.09720	0.7
203.10690	1.0
207.06485	13.4
207.09912	1.1
209.09579	1.6
210.06801	1.2
212.08315	0.9
219.07930	0.7
221.05969	2.0
221.09581	2.5
221.11682	19.4
223.07474	3.6
224.08292	1.3
225.09041	1.7
227.10637	11.4
231.04939	0.8
234.06827	0.8
237.09007	1.0
238.09924	0.7
249.09077	2.0
251.11662	0.9
253.08615	4.1
253.12105	4.9
255.10118	8.7
265.09109	1.1
267.10312	1.5
269.07983	1.4
279.11191	1.1
280.12204	0.7
281.11652	2.0
285.11243	5.7
287.12726	17.8
297.12067	0.9
299.12851	1.6
311.12820	2.1
313.14337	15.1
325.11810	0.9
327.13089	1.5
331.15366	62.4
332.15826	1.0
339.13339	1.3
343.15234	2.4
367.12878	1.2
385.14053	1.8
508.20703	1.3
540.23315	3.9
540.44696	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	540.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
58.87313	0.7
66.69639	0.9
69.03417	1.6
69.80414	4.9
69.80836	2.2
72.08134	1.1
74.90940	0.9
81.03387	1.2
85.02883	4.9
86.09692	1.9
91.05454	8.2
95.04965	2.4
95.06038	0.9
97.02888	1.3
98.20689	1.6
103.05450	1.4
105.06970	1.1
107.04966	1.6
109.02882	1.2
109.06516	2.2
117.07006	1.4
119.04933	10.1
121.06486	2.6
122.03674	1.3
123.08047	1.0
127.03907	1.3
128.06187	1.0
129.06964	7.2
130.08618	2.3
131.04913	2.4
133.06529	1.4
135.07951	1.1
136.03911	1.3
137.05952	36.0
137.06992	1.8
141.06966	0.8
145.04947	1.1
147.04382	12.2
149.05963	4.9
151.07520	45.2
157.06493	3.8
159.08093	1.7
161.05916	5.6
161.09630	1.0
163.03934	1.3
163.07498	11.2
165.06952	1.0
165.09093	2.6
167.07225	1.1
167.08505	5.7
169.06456	1.0
174.06767	4.2
175.07545	3.8
177.05495	1.1
177.09067	1.9
189.09071	18.5
191.08641	1.2
191.10429	0.8
193.06529	1.2
193.10176	2.0
195.08037	8.4
201.09052	1.5
207.10182	2.5
209.09741	1.5
210.06775	1.0
212.08304	1.1
219.10120	14.3
221.05989	3.2
221.09610	3.0
223.07506	4.8
224.08286	1.4
225.09029	2.6
227.07059	1.1
227.10629	16.8
237.08891	0.9
240.07768	1.4
243.38680	0.8
249.09157	2.7
253.08617	5.9
253.12151	7.3
255.10165	14.1
266.09607	1.0
267.10162	2.1
269.08139	1.6
269.11490	1.4
281.11725	2.7
284.10437	1.3
285.11179	12.9
287.12738	25.6
313.14273	24.3
331.15338	100.0
332.15799	1.3
424.03348	1.0
540.33887	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	540.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54020	0.4
60.04251	0.4
68.79482	0.3
69.03410	0.8
73.54678	0.3
79.05460	0.6
79.64169	0.4
85.02873	1.6
91.05460	3.7
93.07022	0.5
93.76937	0.4
94.04137	0.6
95.04953	0.9
103.05456	6.0
105.07034	0.6
107.04932	0.7
109.06486	0.5
110.02311	0.4
115.05453	0.6
117.06952	2.4
119.04923	2.6
121.06461	1.5
122.03605	1.3
123.08052	0.8
128.06206	1.0
129.06984	1.2
130.08621	1.9
131.04907	16.4
133.06470	0.9
134.07242	0.4
135.08044	1.2
136.05203	0.5
137.05957	23.4
143.08528	0.7
145.06490	0.7
149.06000	2.1
149.09618	0.4
151.03842	0.4
151.07521	14.7
156.41800	0.4
157.06474	1.2
161.05966	3.0
162.06735	1.9
163.07516	38.9
165.07014	0.7
167.08566	1.1
171.07999	0.5
174.06766	0.7
175.07526	3.8
177.09081	100.0
178.07832	0.7
178.09459	1.3
186.85785	0.4
189.09076	4.2
191.13943	0.4
193.10010	0.6
195.08067	2.6
195.10136	1.7
203.10623	0.6
207.10208	0.7
209.09712	0.5
221.05901	0.5
221.09627	1.2
221.11684	17.5
223.07542	1.3
224.08363	0.6
225.09074	1.1
227.10611	3.8
233.09579	0.5
237.08995	0.7
238.06052	0.4
252.07828	0.6
253.08640	2.0
253.12202	1.8
255.10159	3.5
265.08484	0.5
267.10043	0.8
269.07935	0.6
281.11618	1.1
285.11215	2.0
287.12735	5.8
299.12820	0.9
311.12766	1.6
313.14249	6.1
331.15341	22.4
343.15457	1.9
349.42093	0.5
464.17169	0.4
508.20538	0.7
519.98700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52150	0.3
54.38778	0.4
55.05451	1.5
69.03367	1.5
69.07008	1.0
70.06551	0.5
79.05421	0.6
81.03342	1.8
81.06960	0.7
84.08073	0.6
85.02891	2.1
86.09617	0.4
91.05408	1.2
94.06510	0.5
95.04938	0.7
95.51109	0.4
96.08035	0.5
97.02814	1.4
97.15233	0.4
99.04358	0.6
105.06965	0.8
107.08541	0.5
109.02870	2.0
110.05938	0.6
112.07533	1.6
114.09147	1.9
119.04884	0.8
120.04352	0.6
121.04832	0.4
122.05925	0.6
124.03929	0.5
130.08617	28.1
131.08652	0.4
132.43866	0.4
137.05869	1.6
140.06963	1.0
146.06000	1.0
147.04346	1.2
148.11124	0.6
152.06995	1.8
152.08968	0.4
154.08537	1.1
156.10135	1.1
159.07973	0.5
166.08681	0.4
172.03986	0.5
175.03815	1.0
176.10611	1.4
177.05412	0.6
177.09088	0.5
190.04909	0.7
194.08121	2.0
207.06493	2.8
209.10611	1.0
210.09079	0.5
213.03857	0.6
222.07863	0.5
222.11568	0.7
223.12256	1.3
224.09224	0.6
225.10146	2.7
231.04893	1.0
234.11566	0.4
235.08649	2.4
235.12175	0.7
236.09436	2.1
237.10187	8.0
238.10887	1.2
239.11734	0.7
240.12427	0.6
243.34427	0.4
246.13144	0.4
249.10188	8.2
250.10951	5.0
251.08121	1.0
251.11763	15.1
252.08745	0.5
252.12509	2.2
253.09697	11.9
253.13298	1.0
254.60301	0.4
261.10144	1.4
262.10855	0.6
263.08063	0.9
263.11642	2.6
264.08887	1.2
265.09686	16.5
266.10333	1.7
266.13434	0.3
267.11224	5.1
267.14481	0.6
268.11975	0.8
276.41690	0.4
277.09692	3.1
278.10461	7.1
279.07614	4.2
279.11209	20.6
280.11905	5.0
281.09143	0.4
281.12714	1.8
282.09952	0.5
283.10684	1.2
283.14163	0.6
285.12262	0.5
289.09818	0.9
291.11282	1.1
293.09100	5.6
293.12766	5.6
294.09915	3.5
294.13306	0.9
295.10675	4.0
295.14346	3.0
296.11429	1.4
296.14676	0.4
297.12222	5.0
297.46152	0.4
299.13748	0.6
306.09909	1.7
307.10724	3.1
308.11526	1.2
309.08615	1.2
309.12192	5.7
311.10181	2.9
311.13815	2.3
312.10968	11.0
312.14542	0.7
321.12115	0.6
323.13846	1.6
324.11057	3.6
325.11755	13.3
326.12576	0.9
327.13330	45.9
328.13617	1.6
335.10196	4.7
336.10864	1.9
337.11743	4.7
338.12320	0.5
339.13339	100.0
340.13843	4.0
341.14874	0.7
349.11929	0.6
352.10330	1.4
353.11230	7.0
354.11905	0.6
357.14288	0.6
360.12827	1.7
367.12823	75.5
368.13477	6.3
384.13284	0.7
385.13870	9.8
398.87497	0.5
399.15442	14.4
400.15598	0.6
420.15091	1.2
420.42712	0.4
476.18115	4.4
480.21045	2.1
486.15921	0.7
504.17218	1.3
508.20721	89.5
509.20987	3.3
518.63342	0.5
522.18365	1.0
526.21759	3.6
540.23383	26.0
540.31055	1.2
541.23584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42303	0.2
55.05482	0.5
56.03788	0.2
67.05484	0.5
69.03391	0.5
69.07025	0.9
69.60228	2.4
70.06544	0.6
79.31711	0.3
81.03368	0.7
81.07014	0.4
82.06545	0.6
83.48945	0.3
85.02858	0.4
85.06506	0.3
91.05437	0.5
94.06527	0.5
95.04964	0.5
95.08578	0.3
97.06480	0.3
97.29803	0.2
100.11191	0.5
105.07014	0.6
105.07687	0.3
107.04874	0.3
107.08565	0.4
108.08065	0.4
109.02827	0.8
109.10136	0.4
110.06004	0.3
112.07528	0.3
114.09096	0.4
119.08583	0.4
120.04428	0.9
121.10093	0.3
122.06000	0.6
123.98887	0.3
124.07528	0.4
128.07008	0.6
130.08614	3.1
130.39876	0.3
131.04918	0.4
133.09999	0.3
136.07545	0.9
137.05898	0.7
138.09097	0.4
140.07042	0.8
145.10121	0.4
146.05948	0.7
147.04416	0.5
148.07426	0.3
152.06992	2.3
154.04941	0.3
154.08606	0.4
156.10130	1.1
161.05838	0.3
162.06274	0.3
162.09076	0.3
164.06975	0.8
165.07347	0.5
166.08620	0.5
167.07053	0.5
168.10205	0.7
172.03897	0.4
174.05455	0.5
176.10657	1.2
177.05397	0.3
182.09619	0.3
188.07062	0.3
190.04944	0.7
192.06528	0.3
194.08069	2.0
196.09796	0.5
197.10699	0.3
204.06412	0.3
207.09183	0.4
208.09767	0.3
209.10724	1.0
210.14888	0.4
211.12445	0.3
218.04303	0.3
221.10611	0.6
222.11385	0.6
223.08722	0.4
223.12241	2.3
224.09399	0.7
225.10190	2.9
226.10919	0.5
233.10670	0.6
234.11375	0.5
235.08560	3.1
235.12151	0.4
236.09375	3.8
237.10179	9.6
238.10991	1.8
239.11743	1.2
240.12555	0.7
241.13341	0.4
248.09290	0.6
249.07718	0.6
249.10175	8.1
250.10959	4.6
251.08269	1.6
251.11768	18.1
252.08907	1.0
252.12460	2.5
253.09679	11.2
253.13486	1.5
254.10255	0.5
255.11406	0.4
261.10236	1.3
262.10971	0.7
263.08133	0.8
263.11737	2.4
264.08893	0.7
264.12662	0.5
265.09683	17.8
265.13049	0.5
266.10394	1.9
266.13788	0.6
267.11255	5.6
267.14410	0.4
268.12030	0.7
269.09326	0.3
269.12924	0.4
277.09616	3.2
277.12558	0.4
278.06940	0.4
278.10455	7.1
279.07654	4.5
279.11237	22.3
280.12006	4.5
281.09152	0.8
281.12808	1.9
282.10037	0.5
283.10843	1.3
283.13672	0.3
284.11575	0.4
285.12289	0.5
289.09631	1.0
291.11240	1.1
293.09140	5.9
293.12796	6.3
294.09924	2.5
294.13577	1.2
295.10751	3.8
295.14355	2.6
296.11502	1.2
297.12308	6.3
299.13803	0.6
306.09851	1.0
307.10690	3.2
308.11462	1.7
309.08737	0.7
309.12256	5.8
310.09604	0.4
310.12912	0.6
311.10175	3.6
311.13873	2.2
312.10986	10.5
321.12238	0.6
323.13782	1.4
324.11023	4.7
324.14700	0.4
325.11780	16.1
326.12369	1.3
327.13342	45.9
328.13614	0.8
334.09674	0.4
335.10175	4.1
336.11035	1.5
337.11758	5.7
339.13342	100.0
340.13925	4.6
341.15015	0.7
349.11624	0.5
351.13507	0.4
352.10513	1.4
353.11261	8.1
354.11859	0.5
357.14307	0.7
367.12836	78.1
368.13571	6.4
369.14426	0.7
384.13013	1.0
385.13876	13.9
386.14468	0.4
399.15439	16.0
400.15967	0.5
420.15421	0.3
467.20297	0.4
476.18115	4.7
480.21246	2.0
508.20740	87.0
509.21027	1.7
526.21832	3.5
540.23291	25.5
540.40735	0.9
541.23682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.4
57.03413	0.2
57.83660	0.2
61.64376	0.2
67.05463	0.3
69.03371	0.7
69.07056	0.9
71.07899	0.2
71.79634	0.3
71.88456	0.2
72.03858	0.2
79.05447	0.2
81.03352	0.7
81.07002	0.5
84.08081	0.5
85.02873	1.1
91.05433	0.5
93.07008	0.5
94.06500	0.4
95.04943	0.3
95.08533	0.5
97.02845	0.4
97.06486	0.3
99.04389	0.3
105.06982	0.4
107.08562	0.3
109.02875	1.0
109.06448	0.4
109.10097	0.4
110.06025	0.2
112.07551	0.5
114.09091	0.4
119.08519	0.3
120.04389	0.6
120.08022	0.2
121.06482	0.3
121.10135	0.3
122.05952	0.6
124.07571	0.3
128.07031	0.4
130.08609	8.9
131.08495	0.2
134.05997	0.2
137.05957	1.2
140.07042	1.2
145.05014	0.3
145.10031	0.4
146.05933	0.5
147.04442	0.2
151.07549	0.4
152.07027	1.2
153.05420	0.2
154.08585	0.6
156.10152	0.8
163.11224	0.3
167.07037	0.3
168.10210	0.3
172.03934	0.3
173.09492	0.2
174.05374	0.3
176.10696	0.7
177.08969	0.3
190.05003	0.4
192.06456	0.4
193.08714	0.2
193.10417	0.2
194.08070	1.1
196.15839	0.2
202.08588	0.2
209.10747	0.9
209.31827	0.2
210.11372	0.3
213.03864	0.2
221.10683	0.4
222.07784	0.2
222.11331	0.4
223.08571	0.5
223.12259	1.4
224.09309	0.4
225.10144	1.8
226.10928	0.4
231.05064	0.3
234.09256	0.2
235.08604	1.7
235.12129	0.2
236.09453	1.5
237.10179	6.7
238.10866	1.3
239.11710	0.9
240.12488	0.8
241.13269	0.3
248.09322	0.7
249.07727	0.4
249.10188	6.7
250.10982	3.7
251.08229	1.0
251.11739	9.5
252.08800	0.4
252.12552	1.5
253.09668	10.4
253.13275	0.6
255.11177	0.2
261.10214	0.8
262.10959	0.6
263.08560	0.4
263.11765	1.5
264.09000	0.6
265.09671	13.3
266.10483	1.0
267.11255	4.9
268.11850	0.4
269.12820	0.3
277.09686	2.7
278.06595	1.0
278.10437	6.1
279.07620	3.0
279.11227	12.6
280.08685	0.4
280.11948	3.5
281.09576	0.4
281.12756	1.3
282.09940	0.4
283.10654	1.0
284.11523	0.4
285.12244	0.4
289.09604	0.5
290.10483	0.4
291.07559	0.2
291.11182	0.4
292.08179	0.3
293.09109	5.1
293.12766	4.7
294.09866	2.2
294.13480	0.7
295.10703	4.2
295.14349	3.1
296.11578	1.1
297.08878	0.4
297.12262	4.1
299.13708	0.6
301.15250	0.3
305.08917	0.2
306.09933	0.9
307.10687	2.2
308.11481	1.3
309.08722	0.8
309.12219	3.8
310.09296	0.4
311.10196	2.7
311.13834	2.3
312.10965	10.2
313.11462	0.4
321.12204	0.7
322.12982	0.2
323.10239	0.4
323.13815	1.4
324.10950	2.7
324.14526	0.3
325.11734	8.4
326.12466	1.0
327.13321	49.8
328.13779	0.7
334.09451	0.4
335.10150	4.5
335.14005	0.4
336.10721	1.0
337.11758	3.2
339.13330	70.5
340.13928	3.0
341.14780	0.7
349.11703	0.6
352.10294	1.4
353.11221	8.2
354.11887	0.6
355.12775	0.3
357.14374	0.5
360.12836	0.5
367.12820	65.1
368.13580	6.8
369.14282	0.7
378.14117	0.2
383.12244	0.3
384.13049	0.5
385.13885	4.8
392.15823	0.2
399.15442	9.7
400.16324	0.2
420.15100	0.4
464.21793	0.3
467.20483	0.4
476.18158	3.0
480.21194	2.0
486.15942	0.3
490.19556	0.3
504.17068	0.5
508.20712	100.0
509.21008	2.0
522.17950	0.4
526.21686	4.3
531.77301	0.3
540.23291	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	540.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55884	0.3
67.35394	0.3
69.03366	0.3
69.07034	0.6
71.51790	0.3
72.73837	0.3
85.02882	0.4
86.09660	0.4
91.05441	0.4
91.12130	0.3
94.06546	0.5
95.08578	0.3
100.11238	0.3
108.08086	0.4
109.02845	0.5
109.10140	0.3
112.19440	0.3
114.09089	0.7
120.04353	0.4
122.05946	0.9
128.07019	0.7
130.08621	2.4
136.07506	1.0
137.05905	0.4
140.07011	0.9
146.05952	0.7
152.07022	1.6
154.08559	0.4
156.10150	1.4
164.07014	0.4
166.08653	0.3
168.10127	0.5
170.59843	0.3
172.03920	0.7
174.05464	0.4
175.03871	0.5
176.10689	1.1
177.05473	0.3
190.04904	0.8
192.06496	0.4
194.08099	2.2
196.09720	0.4
202.08635	0.4
204.06667	0.3
208.09903	0.5
209.10641	0.9
210.11340	0.5
211.08667	0.4
211.12250	0.5
221.10783	0.4
222.07681	0.4
222.11444	0.6
223.08588	0.8
223.12314	2.0
224.09293	0.5
224.12978	0.4
225.10176	3.3
225.13786	0.4
226.10847	0.5
233.10800	0.4
234.09276	0.7
234.11363	0.4
235.08612	3.3
235.12175	0.5
236.09351	3.4
237.10196	9.6
238.11079	1.6
239.11688	1.0
240.12480	0.8
241.13300	0.6
248.09329	0.7
249.07883	0.3
249.10172	8.8
250.10979	4.7
251.08130	1.4
251.11752	18.8
252.08852	1.1
252.12520	2.6
253.09689	12.3
253.13376	0.8
254.10474	0.4
261.10187	1.0
262.10944	1.0
263.08115	0.7
263.11792	1.8
264.08929	1.1
264.12363	0.4
265.09671	19.5
266.10413	0.9
267.11206	4.9
268.12061	0.6
269.12936	0.4
277.09680	3.3
278.06613	1.1
278.10419	7.7
279.07654	5.3
279.11224	25.0
280.08786	0.4
280.12012	5.5
281.09521	0.6
281.12735	1.7
282.10025	0.9
283.10748	1.0
284.11258	0.4
289.09720	1.2
291.11237	1.0
293.09140	6.2
293.12784	6.9
294.09909	3.0
294.13425	0.8
295.10709	3.6
295.14386	3.0
296.11462	1.7
297.12308	6.5
299.13751	0.9
301.15414	0.4
306.09924	1.1
307.10739	3.4
308.11362	1.5
309.08737	0.9
309.12198	6.1
309.15567	0.6
310.12872	0.4
311.10181	3.3
311.13849	2.5
312.10971	11.4
318.09766	0.3
321.12259	0.8
323.10492	0.3
323.13812	1.6
324.10962	4.1
325.11783	16.3
326.12451	1.0
327.13327	46.3
328.13742	0.3
334.09271	0.4
335.10220	4.7
336.10876	1.2
337.11694	5.0
338.12576	0.4
339.13339	100.0
340.13910	3.3
341.14856	0.6
349.11871	0.7
352.10345	1.5
353.11279	7.8
354.11859	0.6
357.14453	0.8
367.12827	80.4
368.13483	7.8
369.14426	0.6
384.13217	0.7
385.13870	14.8
399.15436	16.9
400.16275	0.7
476.18143	5.1
480.21292	1.9
490.19470	0.7
508.20724	94.3
509.21167	2.0
526.21826	2.8
540.23291	25.3
541.23657	0.9
550.45380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.51397	0.3
55.01858	0.8
55.05501	3.1
56.57636	0.3
57.03436	0.5
58.06595	0.4
67.05474	0.4
68.99771	1.1
69.03419	3.9
69.07046	0.5
70.06595	0.3
71.04972	0.8
71.79414	0.3
71.79826	0.4
72.09281	0.3
73.02876	0.3
79.05475	0.4
81.03407	4.1
81.07027	0.4
82.06551	0.6
84.08128	2.7
85.02895	6.5
86.09739	0.3
87.00809	1.3
91.05448	0.7
95.04951	0.6
96.64973	0.3
97.02882	3.2
98.06011	0.5
99.04408	1.4
103.05439	0.5
105.06981	0.4
107.04957	0.4
107.08545	0.4
109.02853	6.4
109.10139	0.4
110.06013	0.5
112.06860	0.5
112.07590	6.8
114.09097	0.4
120.08128	0.3
121.06486	0.4
123.07919	0.3
127.03901	7.9
128.07050	0.5
129.01848	0.7
130.08624	100.0
131.04909	0.8
131.08940	0.9
137.05972	3.3
140.07083	0.4
141.01793	0.6
145.04959	1.5
147.04460	0.4
148.11134	0.3
151.07513	1.0
152.07024	0.6
154.08611	0.3
163.07506	2.2
164.63252	0.3
167.07022	0.4
172.09634	0.6
175.07465	0.7
177.09088	5.5
189.09076	0.6
194.08195	0.4
195.02853	1.4
196.09756	0.3
207.06479	0.6
210.14761	0.4
213.03903	3.2
221.11688	0.9
225.10277	0.4
231.04947	3.6
235.08745	0.5
236.09401	0.6
237.10149	2.3
238.10999	0.5
249.10217	2.2
250.11029	0.8
251.11777	3.3
253.09708	2.9
263.11719	0.9
265.09698	4.5
265.12750	0.5
266.10364	0.4
267.11197	1.5
277.09747	1.0
278.06931	0.4
278.10507	1.9
279.07779	0.8
279.11215	4.6
280.12100	0.9
281.12805	0.6
283.10672	0.3
291.11533	0.4
292.13925	1.7
293.09195	2.1
293.12823	1.5
294.09854	0.5
295.10806	1.5
295.14423	0.8
296.11487	0.5
297.12384	1.2
306.09750	0.4
307.10739	0.8
309.12286	1.8
311.10242	1.0
311.13855	0.9
312.10962	3.5
323.13892	0.6
324.11072	0.7
325.11801	3.0
326.12915	0.5
327.13345	16.8
328.14206	0.4
331.15323	1.0
335.10303	1.1
336.11002	0.5
337.11826	1.3
339.13367	24.6
340.13947	1.2
352.10425	0.5
353.11172	2.3
360.12857	5.9
367.12869	23.9
368.13550	2.1
371.19705	0.3
378.13925	3.4
385.13965	1.2
399.15445	3.3
420.14957	3.6
476.18115	0.7
480.21442	1.0
486.16153	2.8
504.17136	5.3
508.20767	32.8
509.21027	0.5
522.17957	3.4
526.21484	0.7
540.23511	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	539.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.05501	12.2
57.07063	37.2
61.02900	1.4
63.18496	0.8
65.03942	1.4
67.05126	2.0
67.05492	42.1
69.03416	2.2
69.07053	11.2
70.06555	1.0
71.04980	38.6
71.08615	23.7
71.80116	1.5
74.38348	1.0
79.05476	13.9
81.07040	57.6
83.04972	5.8
83.08605	13.3
85.06525	4.8
85.10171	13.3
91.04903	1.8
91.05461	28.0
93.06479	1.7
93.07022	13.7
95.04954	2.4
95.08583	25.9
95.30005	0.9
97.06504	4.9
97.08559	0.9
97.10139	6.0
100.15733	0.7
105.07016	11.8
107.08578	11.5
109.06485	1.8
109.10132	14.5
111.08078	1.5
117.06993	3.1
119.08492	1.1
121.10129	4.0
123.11684	15.6
125.13219	1.2
131.08543	3.6
133.10106	15.4
135.11676	3.4
137.13232	1.5
145.10011	1.0
149.13214	5.6
151.11154	8.7
151.14787	1.2
159.11642	4.2
172.42328	1.0
174.72949	0.9
177.12701	4.5
183.13783	12.8
187.13303	2.4
195.13806	3.9
200.71985	0.8
201.14854	1.1
223.67633	0.9
227.16402	1.8
239.23711	5.5
256.26312	1.5
257.17325	1.4
269.17514	2.6
280.52261	0.9
283.19009	3.6
285.17004	3.5
311.29892	1.0
313.27295	1.3
327.29068	1.2
339.28964	2.6
341.26834	2.4
495.40381	28.8
507.40472	2.0
539.42999	100.0
540.43823	1.3
540.53290	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	539.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60919	1.7
53.03948	4.5
53.39806	1.6
55.01852	4.6
55.05505	24.8
57.03426	15.2
57.07069	42.3
67.05493	39.7
69.03419	2.7
69.07064	19.8
69.48830	3.3
69.49229	19.2
71.04992	3.3
71.08617	25.6
73.02925	2.0
79.05067	3.1
79.05482	32.0
81.03391	5.4
81.07043	49.4
83.04962	6.1
83.08609	23.1
85.10158	16.2
91.05457	23.8
93.07026	45.8
95.04947	12.7
95.07986	3.8
95.08588	51.8
97.06502	5.6
97.10149	10.6
99.04427	2.3
99.08117	2.6
105.07021	20.3
107.04939	8.4
107.08576	29.4
109.06482	3.2
109.09623	1.6
109.10154	17.6
111.04425	3.6
111.08079	2.8
117.07004	15.5
119.08551	18.5
121.06479	3.9
121.10127	14.0
123.11679	3.0
125.09619	3.0
128.06212	2.2
129.07011	9.6
130.07774	2.3
131.08539	11.8
133.10092	8.6
133.93143	2.1
135.08051	1.8
135.11676	42.7
141.06938	4.4
142.07726	3.2
143.08551	9.3
145.10103	29.9
147.11658	3.5
153.06898	2.2
153.12730	3.0
155.08545	8.1
157.10124	7.3
159.11679	6.3
163.11169	43.8
167.08493	5.4
169.10086	7.8
171.11676	7.9
173.13210	5.1
181.10091	7.3
181.12206	7.7
183.11630	10.0
185.13185	4.1
191.10651	2.6
195.11766	4.9
197.13229	4.0
204.11209	1.9
207.11623	2.6
209.11711	8.4
209.13393	3.9
211.14836	3.1
221.13089	4.2
223.14699	4.0
227.12743	94.9
239.23807	4.5
249.16345	2.2
283.15335	55.4
283.18341	3.2
305.65466	2.0
313.27322	100.0
314.27786	3.7
358.76144	2.2
397.98215	2.0
418.70694	1.9
447.32608	12.7
465.33365	5.5
521.38342	67.4
522.38232	4.6
539.37366	75.2
540.38135	6.5
540.53473	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	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01867	1.8
55.05503	12.1
57.03426	10.2
57.07067	32.1
63.53843	1.1
67.05492	20.1
69.03422	1.3
69.07063	12.7
69.49340	1.1
69.49641	13.9
71.04983	2.4
71.08620	24.8
79.05477	20.7
79.05917	1.6
81.07043	29.6
83.04975	2.2
83.08608	13.6
85.10168	12.8
89.06023	3.5
91.05450	7.0
93.07031	32.1
95.04960	5.2
95.08593	45.1
96.40254	1.4
97.02870	2.8
97.06514	3.0
97.10147	4.2
98.20634	2.5
99.04441	4.1
103.07561	1.3
105.07024	7.0
107.04937	6.3
107.08580	29.5
109.10139	15.0
117.07016	9.6
119.08566	10.0
121.06496	5.0
121.10109	10.8
123.11719	4.0
125.05937	2.5
130.42001	1.2
131.08578	1.4
133.10138	4.0
135.08078	2.1
135.11668	39.7
145.10100	22.6
147.11676	1.4
150.02426	1.2
157.10045	1.9
159.11665	2.0
163.11157	47.1
171.11708	1.7
173.13251	1.4
175.14946	1.7
181.12216	9.2
183.11769	1.9
197.13126	1.2
209.11609	1.4
227.12740	94.8
228.13139	1.5
239.23598	2.2
256.26279	1.7
281.77545	1.2
283.15359	55.5
284.15460	2.2
313.27322	100.0
314.27640	2.5
334.24625	1.2
521.38293	68.1
522.38568	3.0
539.45966	7.5
540.53387	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	539.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.4
53.03938	0.7
55.01869	0.5
56.98286	0.2
59.88352	0.2
61.02915	0.6
65.03928	0.7
69.03423	1.8
70.06587	0.9
70.16310	1.0
71.04991	0.4
73.63346	0.2
74.80444	0.3
76.97308	0.2
79.05490	0.5
81.03411	1.1
81.07087	0.3
84.04492	0.3
84.08147	0.3
85.02902	3.5
86.09711	0.4
91.05471	16.7
91.28257	0.3
94.04166	1.1
95.04961	0.8
97.02881	1.4
99.04424	0.3
103.05465	2.6
107.04942	0.9
109.02872	0.9
109.06492	0.4
115.05479	0.3
119.04932	29.2
120.08080	0.5
121.06486	0.6
122.03632	3.4
127.03923	1.1
131.03940	0.5
131.04915	7.5
133.06477	0.3
135.04382	0.7
136.05193	3.5
137.05963	100.0
138.06294	1.2
145.04907	0.3
147.04390	8.7
149.05951	1.3
150.06786	0.3
151.07532	35.8
152.07898	0.3
160.05243	0.4
161.05963	1.8
162.06754	0.7
163.03917	0.6
163.07527	3.0
167.07042	0.9
175.07559	2.4
177.05470	0.3
179.07008	5.6
181.08577	62.1
182.08980	0.5
191.07056	0.4
205.08595	0.5
226.14600	0.2
242.43828	0.3
256.73001	0.3
260.68118	0.3
265.85629	0.3
279.10126	1.0
297.11401	0.3
299.12622	1.9
311.12549	0.9
311.71255	0.2
329.13889	0.4
352.64673	0.3
376.91037	0.3
440.18198	0.5
521.17523	0.4
539.26257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30069	0.6
60.51200	0.6
65.03897	0.8
69.03407	1.5
69.73777	4.3
70.06561	1.7
72.08147	1.3
81.03413	1.6
85.02901	4.7
91.05463	16.3
94.04174	1.2
95.04998	0.8
97.02877	1.8
98.05971	0.7
103.05454	2.6
107.04935	0.7
109.02835	1.2
114.04372	0.5
119.04927	29.4
121.06454	1.2
122.03638	4.3
127.03897	2.1
129.26643	0.6
130.08542	0.8
130.32339	0.6
131.04898	6.7
131.82776	0.6
135.04353	0.8
136.05206	3.1
137.05957	100.0
138.06339	1.3
139.03870	0.7
145.04869	1.0
147.04384	8.3
149.05940	1.4
151.07521	34.3
161.05966	1.9
163.03885	0.9
163.07515	3.8
167.07050	0.8
175.07440	1.5
179.07019	4.9
181.08568	65.7
182.08932	1.7
205.08545	0.7
277.16537	0.8
279.10153	0.8
299.12619	1.8
309.75040	0.6
311.12747	0.8
427.37106	0.6
539.26990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
52.44891	0.4
53.03923	2.2
54.54276	0.5
55.01850	0.6
55.05486	0.5
56.52279	0.5
58.06575	1.9
65.03924	4.4
67.05492	1.1
69.03413	1.7
70.06563	0.9
71.15804	1.4
72.08125	1.0
79.05077	0.6
79.05486	8.1
80.04996	1.0
81.03411	6.2
81.05776	2.2
82.06548	0.9
83.04958	1.6
84.08109	0.8
85.02893	3.0
89.03896	0.7
91.04908	0.9
91.05469	17.9
92.05000	7.0
94.96978	0.6
95.04941	2.2
96.08110	7.2
97.02930	0.7
106.06536	47.8
107.04961	0.9
108.08104	8.8
109.02851	2.3
109.05228	1.6
110.06041	0.5
111.04455	0.6
111.25418	0.6
119.04921	31.0
122.05974	0.9
123.06771	6.7
124.05193	0.8
124.07574	33.5
125.05957	0.8
125.07936	0.7
127.03877	1.1
130.06516	1.4
131.04890	0.6
132.02023	0.9
134.05992	32.7
135.04417	0.6
136.07585	2.6
137.05936	2.7
139.03859	0.7
145.02838	1.7
146.08083	1.2
147.04387	26.8
148.04539	0.7
152.07042	80.2
153.05455	1.9
157.03915	2.1
160.07561	0.8
161.05945	0.7
161.21736	0.5
163.03877	3.3
164.04736	1.3
167.07002	1.1
170.08102	55.6
175.03883	56.9
177.05467	0.7
179.07048	2.1
180.07819	1.2
181.04883	1.5
186.05489	1.5
192.04095	0.8
204.06505	1.3
207.06496	100.0
223.09975	0.5
225.07463	0.7
248.68106	0.5
252.10100	1.4
255.73735	0.5
265.08582	0.6
280.09778	1.8
282.11310	0.8
286.07568	0.5
293.06998	0.5
297.10580	0.5
308.08868	0.9
312.12180	2.7
314.12384	1.4
326.10269	0.7
332.13342	11.0
340.11749	3.1
351.10672	3.6
358.12793	1.5
369.11725	4.4
376.13852	0.7
502.16638	1.2
520.10278	1.1
520.18115	25.4
538.19080	67.4
539.19006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79908	1.5
53.03931	5.4
55.05502	15.6
57.03435	9.2
57.07069	29.4
64.60873	1.5
65.03930	3.2
67.05494	41.6
68.05849	1.7
68.89928	1.4
69.07062	12.7
69.57598	1.5
71.04967	2.2
71.08624	21.3
79.05482	46.0
81.03401	6.4
81.07043	40.7
83.04974	9.8
83.08598	13.3
85.06512	1.5
85.10188	11.5
91.05466	40.3
93.07031	46.9
95.04955	14.6
95.08588	32.7
97.06544	2.3
97.10176	9.0
105.07018	27.3
107.04928	3.3
107.08569	11.3
109.06476	4.7
109.10107	10.2
110.34637	1.7
117.06983	4.8
119.08583	18.6
121.06500	2.0
121.10098	2.7
123.08023	2.5
123.11693	4.0
129.06993	9.0
131.08542	1.9
133.10110	4.6
137.05238	1.7
143.08525	6.3
145.10110	6.0
147.08107	1.6
147.11668	25.5
161.09573	4.1
161.13246	6.5
163.11096	2.5
163.18610	1.4
170.39787	1.5
171.11682	22.3
189.12669	7.4
207.13768	29.5
239.23648	3.2
281.17459	54.3
299.06024	2.0
313.27341	63.5
313.30966	3.1
519.40436	100.0
520.40363	4.2
537.36823	2.9
537.44031	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	537.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01870	1.8
55.05505	15.9
57.03435	8.2
57.07069	34.6
65.03920	2.4
67.05498	41.2
69.07059	14.1
71.04980	2.6
71.08623	23.8
71.19563	3.4
73.12685	1.1
79.05485	49.2
81.03401	5.0
81.07046	37.2
83.04971	9.8
83.08607	11.9
85.06533	1.4
85.10173	12.4
91.05465	38.9
93.07031	47.1
95.04958	16.6
95.08599	31.5
97.06506	2.5
97.10141	5.6
101.07294	1.1
105.07019	24.4
107.04945	5.2
107.08570	12.1
109.06507	4.8
109.10153	9.2
111.08096	2.1
115.05444	1.4
117.07014	4.8
119.08574	19.0
121.06501	1.9
121.10103	3.5
123.08034	3.6
123.11681	2.3
128.06187	2.0
128.72621	1.2
129.06984	12.8
131.08546	2.3
133.10106	6.1
135.11702	2.9
137.13205	1.6
143.08569	6.6
145.10118	7.2
147.08012	1.8
147.11670	30.3
161.09645	4.4
161.13240	8.8
171.11671	22.2
187.39479	1.2
189.12717	8.3
207.13800	26.9
207.15625	1.3
225.14847	2.5
239.23576	1.6
257.24823	1.4
259.53467	1.1
281.17450	57.2
281.20538	2.8
281.29498	6.2
282.27832	22.6
299.30511	6.4
313.27316	70.5
395.06897	1.2
403.86615	1.4
423.94241	1.3
519.40399	100.0
520.40393	2.2
537.53772	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	537.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13733	0.7
53.03923	3.2
55.01862	4.9
55.05505	7.1
57.03410	3.2
57.07062	3.6
58.24640	0.8
61.02903	2.7
65.03912	0.7
67.05489	8.7
68.99770	0.9
69.03080	1.1
69.03413	12.2
69.07056	12.7
71.04983	1.4
71.79644	1.8
73.02890	2.5
79.05486	7.0
81.03403	16.6
81.07040	18.5
83.08592	5.5
85.02888	24.1
87.00816	9.5
91.03928	1.6
91.05422	7.5
93.07030	21.3
95.04939	1.9
95.08582	18.7
97.02879	8.0
97.10169	4.3
99.04455	5.5
105.01870	6.4
105.07005	11.7
106.07380	0.8
107.08568	26.2
109.02853	12.8
109.06473	2.4
109.10142	15.2
111.08054	0.9
111.11696	5.6
115.03938	1.0
117.01822	1.6
117.06968	1.6
119.07707	1.6
119.08560	29.3
121.10121	23.8
123.08014	1.2
123.11678	10.3
127.03887	20.3
129.01834	2.2
129.06993	1.4
131.08539	6.2
133.10098	14.5
133.59508	0.7
135.07971	0.9
135.11665	35.3
137.09595	0.9
137.13220	10.1
143.08562	1.2
145.04933	8.4
145.10092	9.3
147.02803	1.5
147.11665	16.3
149.13226	17.8
151.14812	1.6
157.10086	2.5
158.10863	1.3
159.02870	6.5
159.11655	8.4
161.09573	0.8
161.13216	9.4
161.86644	0.9
163.14798	11.6
165.12701	0.9
167.05540	0.8
171.11667	1.7
173.13219	10.2
175.13373	1.3
175.14784	15.5
177.16359	2.5
183.11618	1.1
187.14764	9.4
189.16403	5.3
191.14235	0.9
193.15862	1.7
199.14792	3.2
201.12819	1.0
201.16347	9.6
203.17963	1.8
209.67171	0.9
213.16310	1.9
215.17908	8.9
216.18416	0.8
217.19469	1.0
227.17812	5.5
228.18712	4.8
229.19557	3.8
231.04958	3.3
241.19418	2.1
242.20270	2.6
243.21104	1.3
256.21826	2.3
271.24155	100.0
273.25723	2.7
279.40442	0.8
289.25214	7.8
379.25983	1.1
387.76993	0.8
397.26462	1.0
428.28632	2.8
519.33759	0.9
537.30048	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	536.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.0
57.07044	3.0
67.05511	7.2
69.07066	7.6
71.08607	3.7
71.42104	1.2
71.54510	2.1
71.54845	1.5
73.06551	3.3
78.19981	1.1
79.05470	6.0
81.07050	15.9
83.08626	7.1
86.09681	5.7
86.55370	1.7
91.05447	5.1
93.07032	12.5
95.08594	30.1
97.10164	2.7
105.07024	16.1
107.08583	26.1
109.10135	14.6
117.06992	3.3
119.08576	23.1
121.10141	18.5
123.08053	3.2
123.11684	10.3
124.99980	3.5
125.09616	11.3
129.06989	2.5
131.08534	11.0
133.10107	14.3
135.11671	11.7
137.13248	9.4
141.06964	1.8
143.08559	8.6
145.10127	11.7
147.08012	2.4
147.11696	10.7
149.13219	9.7
149.61040	1.3
151.11151	3.7
151.14830	6.6
153.12694	4.8
155.08545	2.4
157.10104	7.7
159.08038	3.0
159.11664	13.6
161.13214	12.8
163.07530	1.6
163.14812	9.1
169.10049	7.2
171.11655	11.8
173.13251	17.7
175.14810	13.6
177.09216	1.9
177.16412	1.4
179.14261	3.6
181.10107	2.3
183.11703	5.9
184.07323	17.1
185.09570	2.0
185.13220	8.0
187.14798	16.4
189.12741	2.4
189.16336	4.1
193.12065	1.3
195.11696	2.7
197.13202	6.5
199.14789	11.3
201.16377	13.6
203.10594	1.9
203.17876	2.1
205.12184	1.7
205.15833	1.4
209.13217	2.1
211.14815	4.5
213.16313	8.8
215.10522	1.4
215.14514	3.3
215.17914	28.8
217.15855	5.0
219.13766	2.9
223.14738	3.0
225.16344	6.1
227.17918	9.1
229.15755	3.2
233.15282	2.0
235.16853	1.9
237.16287	4.3
239.17958	11.5
241.19499	4.6
243.17506	1.5
247.16908	18.8
251.17899	2.3
253.19438	5.7
255.21065	1.9
257.15359	1.6
259.16943	11.0
261.18463	25.4
263.16238	2.6
265.19522	5.4
267.13663	1.4
267.21036	2.7
271.16785	4.4
273.18448	6.0
279.20956	3.6
281.19107	2.6
281.22577	4.1
285.18344	2.0
293.22470	4.2
295.20728	2.4
295.24203	5.9
299.19968	1.7
305.22424	2.0
311.19934	3.7
313.21527	3.0
321.22186	3.0
323.23645	2.6
325.21564	3.3
327.23218	1.5
331.28979	1.4
337.28915	2.8
339.23163	1.9
341.24741	3.5
349.28864	8.2
359.27145	1.5
367.22681	1.4
367.29950	3.0
371.22134	1.7
377.28333	5.6
383.29474	2.6
385.30856	1.7
395.29422	66.8
396.29779	1.5
397.31067	11.9
405.27911	9.8
413.30554	3.9
413.86032	1.3
423.23148	2.1
423.28925	50.3
429.30008	3.9
441.29950	77.5
442.30060	3.1
451.28201	4.8
459.24573	2.7
459.31015	50.9
469.29459	52.1
470.29663	1.8
487.30505	100.0
488.30746	2.3
498.03149	1.7
501.31558	1.4
536.35187	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	535.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96238	0.4
53.03930	1.4
55.05495	1.9
55.39222	0.4
55.64415	0.3
57.03420	0.7
58.06608	0.5
65.03910	0.4
67.05489	2.0
68.13450	0.3
69.03420	4.3
69.07056	1.0
70.06561	1.0
71.04977	1.1
71.25765	1.0
72.08136	1.7
79.05475	1.5
81.03404	5.0
81.07032	2.8
83.04969	1.8
84.08137	0.3
85.02889	5.3
86.09679	1.9
87.00772	1.8
89.03896	3.5
91.05463	2.0
93.07033	1.7
95.04984	0.3
95.08589	4.8
97.02873	4.0
97.06486	0.6
97.07656	0.7
98.20709	0.3
99.04430	1.5
103.00703	0.4
103.05482	0.4
105.01859	0.9
105.07011	2.2
107.04951	1.8
107.08566	1.9
109.02873	3.0
109.06512	0.8
109.10137	2.8
110.02384	1.1
111.64184	0.4
114.10281	3.5
114.12788	5.7
115.13123	1.1
117.03355	4.7
119.04891	0.9
119.08560	6.0
120.08109	1.1
121.02845	1.5
121.06488	0.6
121.10127	0.6
123.08060	0.6
123.11690	0.9
127.03865	3.6
131.04915	0.6
133.10103	7.3
135.04393	13.7
135.11673	1.7
136.68593	0.3
137.02232	0.4
137.05975	3.0
137.09599	5.3
145.02827	10.0
145.04926	1.4
145.06473	0.4
145.10069	0.6
147.04373	4.0
147.11629	0.5
149.05939	0.5
151.03926	0.5
152.07056	0.5
153.01791	1.6
161.05971	1.1
163.03879	100.0
164.04254	1.3
165.01849	0.9
167.06999	0.9
167.08411	0.4
173.06004	0.4
175.03894	0.3
175.07509	0.6
175.14799	11.0
177.05467	2.2
181.04919	4.0
185.05907	0.4
186.64207	0.4
189.08896	0.4
191.07013	0.5
193.15860	5.8
201.05443	1.5
211.16890	0.6
213.05473	0.8
232.34485	0.4
234.06746	0.5
262.06314	0.4
277.08847	0.9
287.05457	52.0
288.05737	4.0
292.07391	0.4
305.08041	0.6
307.07977	1.8
313.11566	0.4
325.09076	6.9
337.10666	2.1
339.11472	0.4
355.12085	0.9
517.18231	1.0
517.32080	0.6
535.19177	2.4
535.25220	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	535.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01855	2.2
56.48486	0.8
57.03415	1.4
58.06584	0.9
60.95681	0.9
62.29498	0.7
69.03422	4.6
69.61785	7.2
70.06576	1.8
71.04957	1.0
72.08160	1.4
73.15829	0.7
79.05470	2.6
81.03418	5.9
81.07038	1.2
82.31413	0.8
85.02892	6.8
86.09703	3.1
89.03901	2.0
91.05476	7.6
93.07001	1.0
95.04958	1.7
97.02866	4.5
99.04447	4.2
100.11205	1.9
103.03922	1.7
103.05447	2.7
105.07037	9.7
106.07344	3.2
107.04967	2.0
107.79144	0.8
108.04472	1.7
109.02858	5.4
109.06513	1.1
114.09138	1.4
114.12778	3.6
115.05428	2.7
116.07059	0.9
117.03361	6.6
118.04134	0.9
118.43121	0.9
119.04938	10.2
121.06460	0.9
122.03669	2.2
123.08035	1.0
124.05196	2.5
127.03922	7.5
130.08665	0.9
131.04897	1.6
133.06471	8.7
134.06842	4.0
135.04443	1.1
137.05974	31.8
143.04852	2.4
144.73869	0.8
145.02834	10.1
145.04929	1.2
145.06448	2.8
147.04404	9.9
149.05972	4.4
150.06743	3.6
151.03853	3.3
151.07532	2.0
152.08287	1.1
152.80489	0.8
158.03586	4.0
160.05258	1.3
161.05963	15.5
162.06342	8.6
163.03857	2.3
165.05594	1.1
165.07007	0.9
167.07050	2.0
168.06599	1.1
171.04289	1.2
173.05942	8.0
175.03888	11.5
175.07562	2.9
177.05466	21.1
177.06975	1.7
179.07054	5.4
180.07813	2.2
181.04895	1.3
185.05847	1.1
186.03098	6.3
187.07559	1.9
187.23874	0.8
189.05437	2.1
189.06999	2.1
191.06975	0.9
193.08586	12.3
194.08940	8.5
201.05453	100.0
201.33385	0.9
202.05740	1.1
203.06981	2.9
205.06554	4.2
206.07281	3.5
207.06474	3.2
211.08623	3.0
211.35637	0.9
213.05382	2.9
217.06554	1.7
219.06299	0.9
221.05908	1.3
222.06740	1.6
225.10265	4.4
231.06514	5.0
233.05904	2.9
234.06714	7.5
235.07486	2.8
237.09090	2.7
239.11748	3.6
245.05949	2.5
247.07518	1.1
248.08188	0.9
249.09123	3.1
250.06262	3.3
251.07083	1.8
253.09813	4.1
259.07544	1.2
261.05453	2.8
262.06250	6.6
263.06992	2.6
264.07886	1.8
265.08536	6.5
267.06616	1.0
267.11276	5.9
273.05371	3.4
274.06503	0.9
277.08551	8.9
278.05753	1.3
278.08957	1.2
279.06540	1.7
283.09921	1.1
290.05734	7.6
292.07251	3.5
293.08142	5.5
294.08850	2.7
295.10809	4.7
297.11456	1.5
305.08060	13.5
307.06250	1.8
307.09628	6.0
311.12555	1.1
313.11765	6.7
319.09421	1.1
322.08221	2.2
323.10370	1.5
325.10779	8.4
327.12738	1.0
337.10681	14.8
349.88068	0.8
350.18689	0.9
355.11755	70.4
368.63666	0.8
373.13925	3.9
415.14798	2.1
457.16351	1.6
475.17255	1.8
485.15500	1.2
487.16885	1.2
499.16190	5.0
517.17517	6.0
535.19147	36.1
535.31372	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	535.1794
Annotation	Phellatin
Peak:m/z	Relative Intensity
51.02350	1.0
52.31020	0.8
52.49422	0.9
53.03928	1.8
55.01851	2.8
57.03411	1.1
67.05496	1.1
69.03399	4.2
70.06577	2.2
72.08138	0.9
73.02879	1.0
75.01640	0.8
79.05482	2.1
80.58551	1.0
81.03391	6.4
83.56036	0.8
84.08128	1.1
85.02895	5.1
86.09686	3.9
89.03898	2.0
91.05455	8.7
95.04940	1.5
97.02876	4.5
99.04442	1.8
100.11216	2.5
100.91523	0.9
103.03926	1.6
103.05450	2.2
105.03345	0.9
105.07025	6.7
106.07344	1.6
107.04890	1.5
108.04477	1.9
109.02854	6.0
111.04427	1.0
114.12786	5.4
115.05436	2.4
117.03375	5.7
117.07012	1.3
119.04927	9.5
121.06313	1.1
122.03632	2.3
122.05962	1.2
124.05225	2.0
125.05977	1.0
127.03882	4.1
128.04201	1.0
131.04909	1.8
132.00626	0.9
133.06448	7.5
134.06807	3.2
135.04375	1.3
137.05956	31.6
137.21016	1.0
143.04900	1.7
145.01782	1.5
145.02829	13.2
145.04924	1.7
145.06459	3.2
147.04387	10.2
149.05917	4.5
150.06728	3.1
151.03897	3.4
151.07510	2.8
152.06999	1.2
158.03638	2.8
160.05153	1.8
161.05962	16.3
162.06396	8.1
163.03871	3.0
163.07480	1.1
167.06984	1.4
171.04350	1.1
173.05956	7.7
175.03882	11.7
175.07471	2.1
177.05449	22.1
178.05783	1.1
179.06987	4.3
180.07722	2.5
185.05859	1.4
186.03125	4.7
187.07495	1.5
189.05426	2.7
189.07007	1.8
191.06950	1.3
193.08554	8.3
194.08884	8.3
201.05432	100.0
202.05768	2.5
203.07004	2.6
204.06422	1.0
205.06432	3.9
206.07190	2.1
207.06458	3.8
211.08580	3.6
213.05441	1.8
221.05878	1.3
222.06677	1.5
224.10654	1.3
225.10091	4.1
231.06297	4.5
233.05962	5.4
234.06776	8.0
235.07501	2.1
237.09018	3.3
239.11729	4.1
241.09543	1.5
245.05843	2.5
247.07463	1.8
249.09116	4.3
250.06267	3.9
251.07089	2.1
253.09712	4.0
255.11113	1.1
261.05457	1.5
262.06180	7.1
263.06985	3.4
264.07785	1.8
265.08447	5.0
267.11191	7.2
269.12888	1.1
273.05414	1.8
274.06223	1.0
277.08514	9.9
278.05820	1.1
279.06488	3.0
279.10062	1.1
285.13721	1.0
289.04697	1.4
290.05652	8.5
291.06274	1.1
292.07120	3.8
293.08032	5.7
294.08698	2.2
295.10608	4.7
297.11310	1.6
305.08038	16.4
306.08789	1.4
307.09650	5.9
309.11127	2.1
311.09158	1.2
313.11771	8.7
322.08380	2.5
323.10257	1.5
325.10620	9.7
337.10651	18.4
339.10480	1.4
353.13974	1.1
355.11722	78.1
356.11887	3.5
373.13681	3.9
415.14835	1.9
439.14798	1.2
457.15851	1.7
475.16928	3.1
499.15836	5.7
517.17590	7.5
535.19019	37.9
535.30585	2.0
536.19037	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	535.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01855	2.2
56.48486	0.8
57.03415	1.4
58.06584	0.9
60.95681	0.9
62.29498	0.7
69.03422	4.6
69.61785	7.2
70.06576	1.8
71.04957	1.0
72.08160	1.4
73.15829	0.7
79.05470	2.6
81.03418	5.9
81.07038	1.2
82.31413	0.8
85.02892	6.8
86.09703	3.1
89.03901	2.0
91.05476	7.6
93.07001	1.0
95.04958	1.7
97.02866	4.5
99.04447	4.2
100.11205	1.9
103.03922	1.7
103.05447	2.7
105.07037	9.7
106.07344	3.2
107.04967	2.0
107.79144	0.8
108.04472	1.7
109.02858	5.4
109.06513	1.1
114.09138	1.4
114.12778	3.6
115.05428	2.7
116.07059	0.9
117.03361	6.6
118.04134	0.9
118.43121	0.9
119.04938	10.2
121.06460	0.9
122.03669	2.2
123.08035	1.0
124.05196	2.5
127.03922	7.5
130.08665	0.9
131.04897	1.6
133.06471	8.7
134.06842	4.0
135.04443	1.1
137.05974	31.8
143.04852	2.4
144.73869	0.8
145.02834	10.1
145.04929	1.2
145.06448	2.8
147.04404	9.9
149.05972	4.4
150.06743	3.6
151.03853	3.3
151.07532	2.0
152.08287	1.1
152.80489	0.8
158.03586	4.0
160.05258	1.3
161.05963	15.5
162.06342	8.6
163.03857	2.3
165.05594	1.1
165.07007	0.9
167.07050	2.0
168.06599	1.1
171.04289	1.2
173.05942	8.0
175.03888	11.5
175.07562	2.9
177.05466	21.1
177.06975	1.7
179.07054	5.4
180.07813	2.2
181.04895	1.3
185.05847	1.1
186.03098	6.3
187.07559	1.9
187.23874	0.8
189.05437	2.1
189.06999	2.1
191.06975	0.9
193.08586	12.3
194.08940	8.5
201.05453	100.0
201.33385	0.9
202.05740	1.1
203.06981	2.9
205.06554	4.2
206.07281	3.5
207.06474	3.2
211.08623	3.0
211.35637	0.9
213.05382	2.9
217.06554	1.7
219.06299	0.9
221.05908	1.3
222.06740	1.6
225.10265	4.4
231.06514	5.0
233.05904	2.9
234.06714	7.5
235.07486	2.8
237.09090	2.7
239.11748	3.6
245.05949	2.5
247.07518	1.1
248.08188	0.9
249.09123	3.1
250.06262	3.3
251.07083	1.8
253.09813	4.1
259.07544	1.2
261.05453	2.8
262.06250	6.6
263.06992	2.6
264.07886	1.8
265.08536	6.5
267.06616	1.0
267.11276	5.9
273.05371	3.4
274.06503	0.9
277.08551	8.9
278.05753	1.3
278.08957	1.2
279.06540	1.7
283.09921	1.1
290.05734	7.6
292.07251	3.5
293.08142	5.5
294.08850	2.7
295.10809	4.7
297.11456	1.5
305.08060	13.5
307.06250	1.8
307.09628	6.0
311.12555	1.1
313.11765	6.7
319.09421	1.1
322.08221	2.2
323.10370	1.5
325.10779	8.4
327.12738	1.0
337.10681	14.8
349.88068	0.8
350.18689	0.9
355.11755	70.4
368.63666	0.8
373.13925	3.9
415.14798	2.1
457.16351	1.6
475.17255	1.8
485.15500	1.2
487.16885	1.2
499.16190	5.0
517.17517	6.0
535.19147	36.1
535.31372	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	535.108
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03935	1.6
55.01862	1.7
57.03430	1.0
58.06576	0.7
60.08152	0.3
61.02917	1.0
67.05491	0.3
68.99794	0.9
69.03419	6.7
69.07037	0.2
70.00439	1.2
70.06570	0.5
71.04984	1.2
72.08147	1.3
73.02908	1.3
78.03706	0.2
79.05458	0.3
81.03407	7.0
81.07001	0.4
85.02893	11.0
86.09665	0.5
87.00816	4.6
87.04447	0.2
91.03929	0.3
91.05444	0.4
93.07029	0.2
95.04970	0.2
95.08600	0.2
97.02879	4.5
97.06518	0.2
99.04440	2.5
100.11241	0.3
105.01853	2.4
105.03339	0.3
105.07007	0.3
107.04940	0.6
109.02156	0.3
109.02866	5.8
111.00784	0.5
111.04410	0.2
114.10291	0.2
114.12790	7.0
114.13600	0.4
115.03909	0.3
115.13141	1.8
116.13473	0.2
117.01890	0.8
117.85625	0.2
119.04915	0.4
119.08509	0.2
121.02843	1.8
124.75821	0.2
127.03899	10.5
129.01811	0.7
131.04919	0.2
133.02901	0.2
135.04456	0.2
137.02313	0.5
137.05956	1.6
137.09624	0.2
145.02826	0.5
145.04933	3.2
147.02872	0.7
147.04379	0.9
149.05978	0.2
151.03889	0.2
153.01807	3.2
153.05417	0.4
157.06464	0.5
159.02864	4.3
161.05983	0.7
163.03833	1.1
163.07423	0.2
165.01796	1.2
167.07051	0.5
171.04405	0.2
177.05409	1.0
177.09045	0.2
183.02869	0.7
185.05894	0.3
187.07584	0.3
189.05353	0.3
201.05458	0.5
203.06993	0.3
213.03917	0.2
213.05501	1.3
228.41910	0.2
231.04764	1.2
231.06894	0.3
241.04901	0.6
258.05273	1.0
259.05975	0.5
269.04477	0.2
277.08563	0.2
286.04654	0.2
287.05453	100.0
288.05807	2.7
290.05676	0.2
293.08029	0.2
293.11203	0.2
296.88995	0.2
305.07755	0.2
325.10477	0.3
329.06519	0.3
337.10577	0.6
339.12418	0.2
355.11838	0.3
403.24686	0.2
405.18176	0.2
466.03830	0.2
516.32324	0.3
517.17474	0.2
517.32233	0.4
534.37207	0.5
535.20996	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	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56296	1.6
55.01872	2.0
55.05501	18.8
57.03424	6.0
57.07069	11.7
58.39681	1.4
60.08152	2.5
61.02911	5.9
65.03949	3.0
65.19029	1.7
67.05495	82.4
69.03442	1.8
69.07061	27.6
71.04957	2.6
71.07345	2.7
71.08609	6.1
71.78972	2.3
73.02921	3.1
79.05483	21.5
81.07044	93.5
83.04971	4.4
83.08607	25.6
85.02891	5.3
85.06532	3.2
85.10173	2.8
86.09696	11.9
91.03934	2.6
91.05476	18.1
93.07027	32.2
95.04938	3.6
95.08595	75.8
97.02898	3.2
97.06516	8.0
97.10157	14.5
99.08066	4.5
104.10730	27.1
105.07031	12.7
107.08578	20.6
109.10137	41.2
109.10856	2.3
111.08071	5.3
111.11697	3.3
113.09640	2.3
119.08576	14.0
121.10133	23.9
123.11694	25.4
124.99970	4.2
125.09621	3.2
125.13249	2.4
126.07873	2.0
127.11201	2.7
133.10112	15.3
135.11691	16.0
137.09583	2.6
137.13202	8.7
141.12743	4.2
147.11659	13.2
149.13223	11.0
151.11180	3.2
151.14798	7.2
155.14301	3.0
161.13274	14.7
163.14801	12.5
165.12762	2.1
165.16377	12.4
167.14241	1.7
173.13344	1.7
175.14856	11.7
175.16283	2.2
177.16385	2.3
179.14310	2.0
179.17955	6.7
181.15916	1.8
184.07312	23.6
184.39961	1.5
189.16357	5.9
197.15500	1.6
203.17921	2.3
217.19505	3.0
245.22617	78.4
263.23663	100.0
265.25278	2.6
281.24777	2.1
337.27328	70.2
355.28458	9.3
458.93503	1.6
475.22006	2.4
499.32635	2.9
534.35760	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	534.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.2
57.03429	2.0
60.08154	3.6
67.05499	8.0
67.76274	1.5
69.07063	7.4
69.60710	4.2
69.61115	10.5
71.04994	2.4
71.07373	2.6
79.05482	8.4
81.03421	3.4
81.07036	15.3
82.97984	1.6
83.04980	3.8
83.08619	3.6
85.06540	6.6
86.09687	19.1
90.94839	1.5
91.05457	14.3
91.90091	1.3
93.07023	19.4
95.04952	4.2
95.08583	17.5
97.02889	2.0
97.06484	2.8
97.10184	2.4
98.21455	3.0
99.08102	2.1
103.49301	1.8
104.10722	21.1
105.07012	20.2
107.04969	1.9
107.08572	21.2
109.06551	3.0
109.10142	13.3
111.08096	3.2
117.07008	6.3
119.08554	33.7
121.06497	2.9
121.10126	27.6
123.08082	6.7
123.11717	6.3
124.99979	9.1
125.09637	2.6
128.06172	2.2
129.07022	6.1
131.08560	15.7
133.06506	4.2
133.10110	24.7
135.08032	4.3
135.11671	17.2
137.09627	4.0
137.13281	3.1
141.06956	3.7
142.07800	2.3
143.08551	9.4
145.10106	19.9
147.08083	6.3
147.11667	21.0
149.09619	5.9
149.13260	6.3
151.11212	2.2
153.09250	1.6
155.07121	1.6
155.08559	5.5
157.10100	17.2
158.10884	1.8
159.08052	2.7
159.11662	21.4
161.09616	3.4
161.13220	12.5
163.11151	15.9
163.14890	2.8
165.09171	2.2
165.12788	1.8
168.09331	1.6
169.10100	8.9
171.11656	21.9
173.09703	4.6
173.13222	21.7
175.11221	7.1
175.14806	18.4
177.12816	4.4
177.16380	3.3
179.10686	3.1
179.14355	1.5
181.10103	4.1
183.11644	13.7
184.07320	38.6
185.13249	26.6
187.11121	2.7
187.14789	13.4
189.12723	9.8
189.16348	3.7
191.14328	6.5
195.11755	6.4
197.13327	6.0
199.11151	5.1
199.14803	9.7
201.12717	14.0
201.16428	4.1
203.14265	11.2
205.12445	1.9
205.15950	2.1
207.11761	3.1
209.11732	4.9
209.13310	6.4
211.14760	8.1
213.12796	6.0
213.16391	4.2
215.10661	1.6
215.14339	6.9
215.17964	1.9
217.15942	3.9
219.11896	1.7
219.13853	5.6
221.13316	3.0
223.13074	3.4
223.15001	3.4
225.12885	2.1
225.16452	3.9
227.14285	3.4
229.12265	5.2
229.15977	5.2
231.13837	3.5
233.15459	3.7
235.14949	3.0
237.16544	4.5
239.14288	2.1
239.18124	2.5
241.15857	3.8
243.13919	2.8
243.17494	2.9
245.15401	3.7
247.13326	7.4
249.16708	2.2
251.18108	6.1
253.15894	2.2
255.17513	3.6
257.15417	2.3
267.17633	2.9
269.15500	1.9
277.19400	1.7
283.17102	3.0
287.16425	2.0
289.19385	2.6
297.18613	3.0
301.17874	2.2
310.18005	1.6
317.22931	2.1
319.20612	2.3
323.20319	2.2
357.25540	3.9
361.25485	3.1
362.26706	1.8
365.21164	1.7
375.26822	10.1
377.28760	3.2
379.26328	2.2
385.25266	3.5
393.27939	9.2
397.23419	2.3
403.26221	18.2
411.29126	6.7
421.27316	53.9
431.27148	4.9
435.29056	4.1
439.28391	54.5
439.34460	3.0
449.26755	21.5
453.29980	8.5
457.29437	26.6
467.27820	25.7
471.31073	4.8
481.29367	15.2
485.28912	100.0
499.30432	9.1
503.29932	4.1
516.30627	2.4
517.31775	6.7
534.34204	67.5
548.47858	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	534.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09172	0.2
55.05508	0.3
56.05019	0.6
58.06622	0.6
58.52965	0.2
60.08152	6.2
67.05503	0.4
69.07056	0.3
69.49275	0.4
69.49690	1.3
70.06570	0.2
71.07356	2.8
71.08611	0.2
79.05485	0.4
81.07047	0.7
86.09690	30.0
91.05471	0.6
93.07012	0.9
95.08596	0.6
96.08920	0.2
97.02848	0.3
98.98447	2.6
102.08585	0.1
104.10722	3.3
105.07043	0.5
107.08604	0.6
109.10152	0.3
114.12782	0.8
117.06991	0.2
119.08540	0.5
120.08924	0.2
121.10122	0.3
123.11719	0.2
124.99979	19.8
131.08557	0.2
132.08946	0.2
133.10106	0.2
135.11700	0.3
143.01039	0.3
145.04996	0.2
145.10109	0.3
147.11665	0.2
161.09637	0.2
161.13269	0.2
173.13243	0.2
184.07310	100.0
185.07570	0.5
186.63933	0.2
349.55353	0.1
368.91953	0.2
498.29340	0.9
516.30682	6.6
534.36749	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.9
57.03430	2.6
57.07063	2.3
61.08879	2.0
67.05495	11.8
69.03438	2.2
69.07043	5.4
69.70112	2.3
69.70431	16.9
71.04965	4.7
73.45345	1.7
79.05508	9.1
81.03412	1.9
81.07030	17.6
82.13097	1.8
83.04955	3.5
83.08604	6.8
85.06547	9.4
91.05462	10.4
93.07030	21.0
95.04947	3.6
95.08594	26.3
97.06537	3.2
98.33362	2.0
105.07013	21.4
107.08582	33.3
109.06523	2.2
109.10143	26.9
117.07009	8.1
117.84340	1.8
119.08565	37.7
121.06459	2.3
121.10135	40.5
123.08065	6.5
123.11674	11.0
125.09630	5.0
129.06969	5.5
131.08557	17.2
133.10110	35.0
135.08025	3.9
135.11670	23.1
137.09563	4.0
139.11122	2.2
141.06932	3.2
143.07582	2.5
143.08528	14.1
144.09209	2.2
145.10100	22.1
147.08031	4.6
147.11670	21.7
149.09598	8.6
149.13225	8.2
151.11185	2.9
155.08531	8.4
157.10091	19.7
159.11684	25.5
161.09593	8.3
161.13223	12.9
163.11176	38.1
163.14793	3.8
165.09048	3.0
168.09314	3.0
169.10097	12.0
171.11694	21.8
173.09592	7.1
173.13213	22.2
175.11153	8.4
175.14827	26.9
176.46576	2.1
177.12706	5.1
177.16385	5.3
181.10176	5.2
181.12177	3.0
182.10704	2.1
183.11674	18.3
185.09740	2.3
185.13234	32.4
187.11192	7.3
187.14787	15.4
189.09100	2.7
189.12698	9.8
189.16400	7.0
191.14299	4.7
193.10260	2.0
195.11708	10.1
195.13705	2.6
197.13255	11.4
199.11179	5.6
199.14809	15.6
201.12729	19.7
201.16388	4.2
203.14302	9.1
205.12093	2.7
205.15875	2.6
207.11725	3.0
209.11641	6.5
209.13275	6.5
211.11200	2.4
211.14789	10.3
213.12747	4.1
213.16330	7.3
215.14320	11.6
215.17914	3.5
217.15930	6.5
219.11748	2.8
219.13809	6.0
221.13194	2.7
223.13155	30.8
225.12659	2.5
225.16417	7.9
227.10643	2.4
227.14375	6.9
227.17999	3.6
229.12282	3.5
229.15868	6.9
235.14885	4.9
237.12730	3.4
237.16548	9.1
239.14294	4.7
239.17952	4.0
241.15892	6.3
243.17566	2.4
245.15353	3.1
247.14891	2.8
249.16515	4.1
251.14258	2.2
251.17877	9.6
253.16008	3.1
255.17343	2.5
257.15356	3.8
261.14844	6.8
267.17380	4.0
269.18964	3.6
271.17017	3.1
281.18887	2.7
283.16843	3.0
297.18469	4.5
311.20081	3.2
313.18066	2.4
315.19632	3.1
319.20273	3.6
331.24216	2.4
333.25674	4.7
343.23926	2.4
355.22684	5.0
357.25620	8.3
361.25177	5.7
375.26761	23.1
377.28464	4.9
385.25293	9.9
393.27930	9.2
403.26166	27.6
411.29388	9.1
417.27908	5.0
421.27316	30.3
423.28912	2.4
425.30334	10.9
431.25583	4.6
435.28918	44.6
437.30396	3.3
439.28470	15.5
445.27338	8.0
449.26804	2.7
453.29971	61.7
455.31418	2.2
457.29526	8.4
463.28375	35.1
467.27649	2.9
471.31042	22.4
481.29459	69.0
499.30457	100.0
500.31195	3.4
514.31464	3.1
517.31470	19.6
534.34180	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01858	2.7
57.03426	1.8
57.81577	0.7
61.02898	1.2
69.03419	9.6
69.07085	0.6
69.88416	0.8
70.06590	1.8
71.04972	1.8
71.78512	0.9
73.02899	1.5
79.05475	3.7
81.03411	10.0
85.02898	14.5
86.09696	3.2
86.20811	0.7
87.00819	2.2
91.05476	2.2
95.04958	2.4
97.02877	8.3
99.04446	8.6
103.03918	6.9
103.05478	2.6
105.07015	27.6
107.04940	100.0
108.59516	0.6
109.02867	7.3
109.06431	0.9
114.09164	1.4
115.05433	16.3
117.07035	1.3
118.04133	0.9
119.04926	2.2
119.38162	0.7
121.02852	1.5
121.06482	6.5
127.03900	15.2
130.08607	1.5
130.30750	0.7
131.04897	3.8
133.06476	28.6
137.05952	13.1
143.04929	21.1
143.05995	1.7
145.04987	5.4
145.06467	12.6
147.04381	1.1
149.05948	0.9
151.07547	2.0
159.02837	1.1
160.05202	1.0
161.05962	57.0
163.06129	2.3
163.07481	1.4
175.07533	11.1
177.05470	2.1
178.08618	9.5
181.06512	1.8
187.05960	1.1
191.08537	2.6
192.10223	1.2
193.08580	56.1
194.07237	2.6
194.08833	1.0
196.13307	1.3
207.06505	1.3
207.88788	0.7
209.09589	8.2
219.08044	1.4
237.09059	8.9
239.06975	1.2
251.10570	0.7
254.09470	1.1
268.09723	1.0
269.11725	30.1
284.12790	4.0
286.14359	33.3
315.04938	1.0
355.07901	2.2
372.10782	1.8
418.24118	0.9
448.19537	5.2
490.20660	44.8
491.21317	1.5
534.19653	82.8
535.19904	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.5
57.05806	0.9
57.17229	0.1
58.06589	5.5
58.48355	0.1
69.07045	0.2
69.96059	0.6
70.06564	0.5
71.07352	0.8
72.08141	10.5
79.05512	0.1
81.03376	0.1
81.19785	0.1
84.08147	0.1
85.02870	0.1
86.09669	0.1
98.20799	0.1
109.06521	0.1
114.12785	100.0
115.13110	0.7
125.02360	0.1
129.07054	0.1
137.05934	0.1
142.44389	0.1
152.52785	0.1
163.03870	0.2
167.07091	0.5
169.50673	0.1
173.13248	0.1
175.07553	0.2
177.05504	0.1
187.07532	0.2
191.14243	0.1
192.10077	0.2
192.40202	0.1
201.05458	0.1
208.04414	0.1
216.10167	0.2
237.15932	0.2
242.08005	0.1
249.09261	0.1
259.10641	0.1
319.03537	0.1
341.13901	0.1
350.24042	0.2
353.13617	0.2
374.24207	0.4
402.18588	0.2
402.23782	3.2
487.32703	2.6
515.32220	16.0
516.32617	0.6
526.97369	0.1
533.33246	3.8
534.33099	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	533.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60511	0.1
56.05013	0.5
57.05805	0.8
58.06591	5.5
68.48120	0.2
69.03390	0.1
70.06573	0.4
70.82653	0.5
71.07372	0.6
72.08144	11.4
74.49004	0.1
91.05434	0.1
91.64406	0.1
114.12789	100.0
115.12453	0.2
115.13129	0.8
133.10158	0.2
137.05908	0.2
151.03893	0.1
161.06050	0.2
162.82860	0.1
163.03999	0.1
174.86975	0.1
187.05128	0.1
201.05431	0.3
237.15881	0.2
317.85056	0.1
374.24304	0.2
384.08936	0.1
387.63818	0.2
402.23758	1.5
487.32648	1.2
515.32227	8.8
516.31799	0.2
533.33344	6.2
534.33844	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	533.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87200	0.5
53.03936	2.7
53.42209	0.6
55.01856	3.3
55.05498	1.5
57.03427	6.1
58.06588	2.0
61.02920	8.4
67.05482	1.7
69.03420	28.6
69.07054	8.9
69.59171	2.6
69.59600	3.4
71.04989	3.9
72.08136	3.7
73.02910	3.8
79.05474	3.2
81.03406	13.3
81.07032	3.8
83.01335	1.1
83.04949	1.2
83.08620	2.0
85.02891	94.9
87.04450	3.8
91.03937	4.6
91.05476	2.2
93.07034	3.5
95.04965	6.8
95.08601	3.7
97.02877	31.7
97.06512	3.7
99.04436	6.4
105.06982	3.1
107.08558	4.6
109.02855	10.6
109.06496	3.7
109.10129	1.6
111.08107	0.8
113.05964	1.0
114.12786	34.0
115.03919	1.4
119.08546	3.8
121.06483	2.7
121.10131	2.6
122.07299	3.4
123.08044	18.9
123.11698	1.6
127.03896	25.7
131.08571	2.0
133.10088	5.1
135.08034	28.1
135.11655	4.2
137.09595	1.0
141.05582	1.0
145.04936	36.0
145.10138	1.0
147.11696	2.8
148.08830	1.0
149.09579	1.6
149.13235	1.9
163.06018	6.7
163.14801	1.1
165.12721	21.3
167.07092	1.0
171.06549	2.1
173.13290	1.2
175.11096	0.7
175.14798	3.9
176.11917	4.1
177.12866	0.6
189.07474	3.0
191.14279	100.0
192.14575	1.7
193.15854	15.6
207.13841	2.9
209.15337	17.3
209.17247	1.2
305.13934	0.7
309.16913	1.4
353.19498	2.7
371.20560	12.5
533.25903	42.8
533.33118	3.5
534.26044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.7
55.05479	0.7
61.02904	0.8
67.05496	0.7
69.03409	1.6
69.60574	3.6
70.06567	1.2
70.60431	0.5
71.04982	0.7
72.08134	0.6
78.04697	2.0
79.05486	7.5
81.03400	1.5
81.07026	1.1
84.08121	0.7
85.02872	3.9
86.09695	1.0
91.05471	4.3
93.06997	0.6
95.04961	2.6
95.08578	0.7
97.02869	2.0
97.06520	0.9
99.04406	0.5
103.05447	2.0
105.07023	8.1
106.04153	1.5
107.04942	12.8
109.02888	0.8
109.06467	0.8
114.09159	2.9
115.05452	2.9
116.06248	0.7
116.14830	0.6
117.03335	0.8
117.06985	1.3
118.04128	1.3
119.04904	1.5
119.08562	1.9
121.06499	1.2
122.03600	0.7
123.04401	4.8
124.05181	3.6
125.05957	1.6
127.03858	1.1
128.06209	2.5
129.06982	6.9
129.10245	0.6
131.04916	3.7
131.08560	1.0
132.05717	3.0
133.06454	4.9
133.10123	1.7
134.03584	0.7
135.04367	0.6
136.07582	0.5
137.05949	2.4
140.04633	0.6
141.06929	0.6
143.04951	0.6
143.06009	0.6
144.05692	1.2
145.02774	0.5
145.06462	2.2
147.04378	1.9
147.08015	2.7
149.05989	1.2
151.03920	1.6
152.04649	2.6
153.05435	2.3
155.04895	1.3
155.06976	1.1
156.05649	1.3
157.06403	0.6
159.08020	5.7
160.05183	1.6
161.05963	9.9
163.03867	1.9
163.07440	0.9
167.07014	100.0
168.07425	0.8
169.06396	0.8
171.08098	1.1
172.05087	2.4
173.05969	1.0
173.13188	0.8
175.07524	21.5
176.04706	1.3
177.05467	2.1
178.07678	1.1
179.07030	1.0
179.08478	0.6
183.07936	0.6
184.05161	1.7
185.05989	0.7
187.07521	22.3
189.06929	1.3
189.09085	2.3
190.07661	1.1
191.06975	8.4
191.08495	1.1
191.14273	1.1
193.10176	0.6
199.07541	9.2
201.05476	4.2
201.09056	0.6
202.07748	1.6
203.08551	2.5
205.06638	0.7
205.08521	1.1
206.07246	2.2
207.08072	1.5
209.08086	2.1
215.08499	1.7
217.06514	1.0
217.08481	0.8
218.07272	2.1
219.08046	1.6
220.08714	0.6
221.09645	3.3
231.08104	1.2
232.08768	1.1
233.09511	3.5
234.06754	2.8
235.07571	2.0
237.09062	0.8
243.07930	0.7
246.06682	1.5
247.07599	1.7
248.08289	1.3
249.09041	5.7
250.09808	1.1
251.07079	2.1
259.07419	1.2
260.08142	0.8
261.09036	3.7
262.09879	0.9
263.06943	1.5
263.10303	0.5
265.08664	0.8
266.09503	0.8
274.06070	0.8
275.07010	0.9
276.07797	1.2
277.08517	3.7
278.09253	1.5
279.06445	0.6
281.11673	7.9
289.08493	4.2
290.09293	1.4
291.10101	1.5
292.10800	0.6
293.11703	2.4
294.08899	1.5
295.09634	1.2
306.08899	1.2
307.09583	1.2
309.11194	10.3
310.11859	1.7
311.09158	1.0
321.11185	8.3
322.11911	1.4
323.08917	0.6
325.10663	0.9
325.14224	1.2
326.11380	2.8
341.13797	26.7
353.13800	11.5
371.14990	0.9
533.26166	0.8
533.33801	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	533.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.01852	0.5
55.05497	0.2
56.05025	0.5
57.03415	0.6
57.05794	0.6
58.06305	0.4
58.06589	5.3
60.13420	0.2
61.02895	0.7
67.05470	0.4
68.90053	0.2
69.03423	3.0
69.07047	0.5
70.06564	0.7
71.04977	0.4
71.07360	0.9
71.79562	0.3
72.08139	10.6
73.67664	0.2
78.04704	0.7
79.05481	3.0
81.03393	1.4
81.07032	0.9
84.08127	0.4
85.02889	4.5
87.04462	0.2
89.03904	0.5
91.05453	2.2
93.07014	0.5
94.04175	0.2
95.04954	0.8
95.08619	0.3
97.02871	1.9
97.06508	0.4
99.04465	0.4
100.11298	0.4
103.05459	0.8
105.03405	0.3
105.07029	2.1
107.04927	5.1
107.08572	0.4
109.02834	0.8
109.06469	0.7
114.09129	0.6
114.12783	100.0
115.05429	1.2
117.03397	0.2
117.07001	0.6
118.04153	0.4
119.04946	0.4
119.08548	0.8
121.06484	0.6
122.03626	0.3
123.04410	1.8
124.05170	1.3
125.05981	0.7
127.03900	1.1
128.06201	1.0
129.06972	2.0
131.04912	1.3
132.05664	0.7
133.06473	2.1
133.10095	0.8
134.03645	0.3
135.04401	1.0
137.05954	2.0
137.09547	0.4
141.01749	0.3
141.07011	0.6
144.05815	0.2
145.02824	0.8
145.04900	0.5
145.06473	0.7
147.04388	1.1
147.08031	1.0
149.05962	0.4
151.03900	0.6
152.04695	0.8
153.05478	0.6
156.05624	0.4
157.06541	0.3
158.03531	0.4
159.08058	1.5
160.05177	0.9
161.05940	3.4
163.03876	5.5
163.07555	0.4
165.05464	0.2
167.07011	29.7
169.06422	0.6
171.08014	0.7
172.05130	0.4
173.06027	1.2
174.06772	0.2
175.07515	12.9
176.04689	0.2
177.05438	0.6
177.08981	0.3
178.07771	0.4
179.07027	0.4
184.05225	0.7
186.03079	0.4
187.07520	4.9
189.05444	0.5
189.07051	0.5
189.09045	0.7
190.07732	0.7
191.07004	3.2
191.08545	0.5
191.14305	0.6
192.07848	0.4
192.10181	0.3
193.08569	4.8
193.10162	0.5
199.07545	4.0
201.05426	8.1
201.09082	1.0
202.05774	0.3
202.07706	0.5
202.10706	0.3
203.08553	1.0
206.07253	0.6
207.08110	0.3
207.10039	0.2
209.07982	0.5
209.15324	0.5
211.09492	0.3
215.08632	0.7
217.08591	0.5
218.07266	1.0
219.07979	0.7
221.09572	0.6
223.07420	0.2
231.06212	0.5
231.08257	0.5
232.08809	0.5
233.09538	1.4
234.06702	0.6
235.07498	0.8
237.08908	0.3
243.08086	0.3
245.05988	0.4
246.06747	0.7
247.07497	0.8
249.09030	1.1
250.09804	0.4
253.08484	0.3
259.07532	0.5
260.08331	0.8
261.09015	1.9
262.09766	0.3
263.06985	0.7
264.07806	0.3
266.09369	0.3
267.10034	0.3
274.06287	0.6
275.06989	0.7
277.08603	1.3
278.09274	1.0
279.10037	0.4
281.11655	1.5
289.08496	2.2
290.09409	0.5
291.06625	0.5
291.09998	0.4
292.07266	0.2
293.11612	1.0
294.08798	0.6
295.09650	0.6
297.11209	0.3
303.10135	0.3
305.08087	0.3
306.08835	0.5
307.09351	0.7
309.11118	2.1
310.12021	0.4
311.09250	0.3
321.11139	3.8
322.11905	0.6
323.09036	0.5
325.10471	0.3
325.14349	0.5
326.11444	0.8
329.14273	0.3
338.11649	0.4
339.11578	0.3
341.13779	7.0
349.10452	0.6
353.09546	0.5
353.13724	6.8
355.15314	0.7
367.11157	0.3
371.11169	0.3
374.24216	0.3
375.52478	0.2
385.11642	0.4
402.23718	2.0
487.32608	1.5
515.32214	10.9
533.18024	0.4
533.33258	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	532.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82732	1.1
53.03920	1.3
55.05495	3.4
56.27044	1.1
60.04516	16.4
67.05498	5.3
69.07050	2.3
70.06572	1.1
71.04965	1.6
79.05475	4.5
81.03394	1.1
81.07039	7.5
83.08606	2.0
85.06528	1.0
86.09694	3.2
91.05456	5.6
93.07018	7.7
95.04972	1.3
95.08603	5.4
96.08869	1.3
97.06566	1.2
105.07024	6.4
106.07353	1.8
107.08562	5.9
108.08902	1.3
109.06521	1.4
109.10111	5.4
117.06944	1.3
119.08578	7.9
120.08904	3.5
121.10126	4.8
124.99995	1.9
129.06963	1.3
131.08548	4.2
133.10101	5.0
133.50906	1.3
134.10497	1.8
135.08066	1.5
135.11708	2.3
143.08504	2.3
145.10156	5.4
146.10419	2.4
147.11671	3.5
149.09586	1.8
149.13213	1.6
157.10072	3.6
158.10547	1.4
159.11646	5.6
160.11975	1.4
161.13243	2.2
169.10078	2.1
170.10472	1.7
171.11656	3.2
172.11952	1.4
173.09424	1.1
173.13254	3.2
174.13538	1.7
175.14841	1.6
177.09155	1.9
177.12677	1.3
183.11710	1.8
184.07344	7.1
185.13225	2.6
187.14784	3.0
189.16327	1.7
193.65834	1.1
197.13115	1.4
199.14850	2.2
201.16386	2.1
202.16693	1.5
210.13611	1.5
211.14810	1.5
214.16705	1.3
242.81639	1.1
245.15253	1.6
321.68539	1.2
388.27191	1.1
389.17621	1.2
391.29974	2.8
408.29709	2.4
409.31314	1.9
418.28333	3.4
432.30484	1.4
434.27615	1.6
436.29306	4.4
437.30289	1.5
438.30640	1.5
441.29858	1.9
454.30304	3.2
455.31488	1.4
464.28622	4.0
473.32404	3.1
482.30035	4.3
500.30823	16.0
508.14160	1.2
532.36292	100.0
533.36920	2.4
535.31946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62769	3.0
50.73087	2.8
53.88729	3.0
55.05509	16.0
55.74148	2.6
56.96544	4.3
57.03422	2.8
57.07047	5.5
67.05495	33.0
68.05823	3.5
69.07068	15.9
71.79237	5.7
79.05473	17.9
81.07039	41.9
82.07362	4.3
83.04967	5.1
83.08611	9.4
91.05457	27.8
93.07034	48.2
94.07368	4.1
95.04973	5.5
95.08590	49.7
97.10149	4.4
105.07018	41.3
106.07331	4.1
107.07896	4.8
107.08572	50.4
108.08907	3.2
109.06499	3.8
109.10149	31.2
110.10475	6.8
117.07007	8.1
119.08572	50.3
119.34528	3.8
120.70131	3.0
121.06506	3.7
121.10117	58.4
123.11690	16.4
129.07022	6.4
131.08522	26.0
133.10120	56.0
134.10413	6.7
135.08037	4.6
135.11664	37.8
137.09573	3.6
137.13242	7.0
143.08511	14.0
145.10107	33.8
147.08115	3.9
147.11658	37.4
149.13225	20.6
151.11142	7.3
153.09013	4.3
156.09344	3.6
157.10164	19.7
159.11708	29.0
161.09554	4.0
161.13255	26.1
163.14803	30.4
169.10074	4.2
171.11676	20.3
173.13226	50.4
175.14812	56.7
176.15140	4.1
177.16377	13.2
181.10310	4.4
183.11642	7.3
185.13190	33.9
187.11081	4.2
187.14783	39.8
189.12735	8.6
189.16370	35.9
191.14293	12.4
193.15820	7.2
195.11647	6.7
197.13185	9.8
199.14731	21.5
201.12730	7.5
201.16379	22.5
203.14377	7.6
203.17966	9.8
205.12296	4.9
207.13730	15.9
211.14810	6.2
213.16451	15.3
215.14264	12.0
215.17885	20.4
217.15761	7.9
219.13806	11.7
225.16315	5.0
227.17879	14.7
229.19403	6.4
231.13831	7.0
233.15324	19.0
235.16934	17.6
237.14818	14.2
239.18037	8.6
241.19409	10.9
243.21031	4.5
245.15413	9.0
247.16930	5.3
253.14252	8.9
254.14636	8.9
255.21027	12.2
259.16879	4.2
261.18500	5.4
261.22028	3.9
262.22397	3.9
273.18588	7.6
275.20035	9.1
287.19678	4.9
307.24084	4.8
363.30402	21.6
373.28735	6.4
391.29965	47.9
401.28281	8.8
409.30978	100.0
410.31247	4.1
419.29318	29.5
423.27148	6.1
423.32568	82.5
437.30487	51.5
451.32156	29.4
453.33820	3.9
455.31546	80.0
459.82355	5.2
465.30014	5.3
469.33118	51.5
479.31378	4.9
483.30856	8.5
492.09998	4.4
497.32599	12.6
514.35669	7.9
532.36768	37.9
533.30933	4.5
534.32220	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	531.331
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
55.05497	8.2
59.33576	2.1
67.05487	13.2
69.07059	9.6
69.62717	12.6
69.63140	8.7
79.05470	8.8
81.07037	16.9
83.08613	8.3
84.79432	2.4
91.05472	11.2
93.07052	13.5
95.04970	3.4
95.08588	29.9
97.06557	4.9
97.10142	3.3
98.21476	4.8
105.07016	20.5
107.08583	32.9
109.10126	25.0
111.08039	3.1
113.06020	4.4
117.06994	9.0
118.26991	2.5
119.08568	37.1
121.10118	29.8
123.08054	4.9
123.11676	6.7
129.06958	6.6
131.08542	24.6
133.10109	30.5
135.08029	9.3
135.11667	21.4
137.09619	7.3
139.07455	2.6
143.08511	11.5
144.09366	2.9
145.10089	35.4
147.08047	5.6
147.11668	19.0
149.09589	4.9
149.13181	14.7
155.08549	4.2
157.10065	12.3
158.10838	5.1
159.08049	3.8
159.11665	21.1
161.09599	3.1
161.13231	15.4
162.10516	2.7
163.14801	10.4
165.09097	3.3
165.12721	2.9
169.10117	7.6
170.10951	3.6
171.11690	17.5
173.09789	2.5
173.13239	58.5
175.14830	20.7
177.12671	4.7
177.16336	5.0
183.11725	7.3
185.13226	22.3
187.11125	3.3
187.14786	50.2
187.16316	4.1
188.15404	3.1
189.12724	3.7
189.16269	14.8
191.10480	2.5
191.14282	11.1
195.11691	5.6
197.13205	16.0
199.11131	4.4
199.14738	12.8
201.12741	6.9
201.16362	17.7
203.14345	7.0
203.18030	3.6
205.12146	3.3
205.15956	5.3
207.13823	7.6
209.13300	4.7
211.14816	9.7
213.16408	14.9
215.14328	10.9
215.17896	17.9
217.15878	6.5
219.13724	6.3
223.14879	4.0
225.16359	7.9
227.17967	12.5
229.15881	3.9
229.19502	3.3
231.13802	2.9
231.17467	3.5
233.15231	17.3
237.16368	5.4
239.17865	11.5
241.15781	5.9
241.19525	8.0
243.17456	4.0
253.19484	3.0
255.21117	3.9
259.16995	5.4
261.14612	2.8
261.18497	9.2
263.16351	3.5
265.19458	6.1
267.17395	3.2
267.21008	3.8
270.34021	3.6
271.16953	3.3
273.18481	8.5
285.18475	5.4
291.20972	4.4
293.19052	6.4
293.22617	6.3
295.24054	2.7
311.19656	3.0
319.24228	2.8
339.23239	2.8
341.24643	3.0
355.26181	6.4
361.28995	13.8
371.27246	5.9
379.30093	7.1
389.28323	26.4
391.29910	14.6
393.24048	3.0
399.25400	12.1
407.29373	44.8
409.31058	18.1
417.27991	12.0
419.29468	3.0
421.31088	3.9
425.30472	22.0
435.28967	38.6
437.30386	8.0
439.32065	9.6
453.29892	94.5
454.30121	4.6
463.28217	15.1
467.31369	7.0
471.31070	39.5
471.57083	2.6
481.29449	78.4
485.32443	3.6
499.30447	100.0
500.30893	5.0
517.31427	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.24397	0.3
55.05502	4.4
55.13633	0.3
55.52654	0.3
57.03411	0.5
57.07071	1.5
65.03896	0.3
67.05495	4.4
68.05014	1.0
69.03413	0.9
69.07056	6.2
69.44496	0.5
69.44916	3.0
70.06580	2.5
71.04967	0.7
72.08135	0.7
79.05481	4.0
80.05007	0.9
81.03403	0.9
81.05782	2.5
81.07041	6.2
82.06567	0.5
83.04971	2.5
83.08605	2.6
85.02895	1.0
85.06496	0.4
86.09702	0.7
91.05453	1.9
93.06493	0.5
93.07032	6.9
93.07578	0.6
94.06540	1.2
95.04951	0.7
95.08593	22.4
96.08114	4.3
97.02891	0.5
97.06522	0.6
97.10154	2.2
98.21184	1.4
105.07018	2.3
107.08579	11.9
109.02835	0.5
109.06489	0.4
109.10144	4.9
114.09150	100.0
115.09486	2.3
119.08566	0.8
121.10130	23.0
122.10510	0.5
123.08054	0.4
123.11687	2.6
125.09629	0.4
127.03912	0.7
130.08665	0.5
133.10114	0.6
135.11679	4.4
137.13242	2.3
139.11157	1.4
141.61424	0.3
145.28519	0.3
146.06000	0.6
147.04370	0.8
149.05916	0.5
149.13271	1.1
154.08684	0.3
160.09657	0.4
162.93729	0.3
163.03857	0.5
167.91855	0.3
174.05603	0.6
174.11234	14.3
175.14813	0.4
177.05499	1.2
177.16360	6.1
195.17496	0.4
207.06494	0.7
210.04720	0.3
259.09671	0.4
276.14517	0.7
300.14252	0.5
318.15485	1.7
336.16483	21.6
337.16809	0.8
512.31244	0.4
530.33173	87.7
531.18030	0.4
531.33746	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05511	1.5
55.60117	0.2
57.07061	0.5
63.07176	0.2
65.03924	0.2
67.05499	2.6
68.05032	1.2
68.13800	0.3
69.03421	0.3
69.07064	2.4
69.89349	0.2
70.06569	0.7
70.22730	0.9
70.23142	0.3
71.04974	0.8
77.38627	0.2
79.05496	2.5
80.04996	0.7
80.61504	0.2
81.03384	0.2
81.05787	1.9
81.07050	4.9
82.06577	0.6
83.04977	2.2
83.08603	1.0
83.73524	0.2
84.08123	0.4
85.02863	0.2
85.06493	0.3
86.09695	2.0
86.60448	0.2
88.21857	0.2
91.05465	0.8
93.07039	2.9
94.06577	1.2
95.04927	0.4
95.08600	9.2
95.94827	0.2
96.07573	0.4
96.08128	4.2
96.08744	0.4
97.10145	0.4
98.21420	0.3
103.67377	0.2
105.07014	0.5
107.08589	3.1
109.10137	2.7
110.10474	0.2
113.09676	0.3
114.09158	100.0
115.08781	0.3
115.09509	1.8
119.08585	0.4
121.10132	4.3
122.92316	0.2
123.11761	0.4
133.10161	0.3
134.10493	0.3
135.11684	1.3
137.13245	1.4
172.09731	0.3
174.11250	11.7
177.05428	0.4
177.16417	0.7
194.65277	0.2
227.17580	0.6
276.14410	0.9
304.15121	0.3
318.15448	3.9
336.16476	1.5
352.38535	0.3
393.46414	0.2
512.31891	0.9
530.33203	60.5
531.33606	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	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09623	1.2
53.03923	3.9
55.01865	6.2
55.05503	36.8
57.03426	18.9
57.07057	3.2
58.56626	1.2
59.04992	3.6
61.39424	1.2
65.03934	2.3
67.05496	100.0
67.48801	1.3
68.05849	1.4
69.03413	3.5
69.07059	24.4
69.50743	1.2
70.27321	1.2
71.04968	6.8
73.02898	5.3
75.28210	1.2
79.05484	47.0
81.03405	13.8
81.07046	87.5
82.07390	2.2
83.04975	11.2
83.08608	24.2
85.02882	11.5
85.06521	6.0
87.04447	5.7
91.04906	2.1
91.05464	31.8
93.07029	49.9
95.04961	10.1
95.08597	27.0
97.02893	2.5
97.06516	11.6
97.10153	13.9
99.08089	2.2
103.03954	1.6
103.05407	1.5
105.07011	13.1
107.04934	4.3
107.08575	35.3
109.06495	4.4
109.09395	2.1
109.10143	40.9
111.04331	1.5
111.08073	8.4
116.04729	1.7
117.07002	9.3
119.08566	10.8
121.06491	2.9
121.10119	15.6
123.08027	2.9
123.11670	4.5
125.09602	15.8
129.05467	8.2
129.06979	1.6
131.08545	13.2
133.10100	21.0
134.10426	1.2
135.08017	2.2
135.11656	14.6
137.09589	2.5
143.07077	1.6
143.08572	1.5
143.10664	3.9
145.10121	7.6
147.08075	1.7
147.11682	5.4
149.09560	3.0
149.13242	16.6
151.11150	2.5
153.12643	3.1
155.10625	4.2
157.10107	3.4
159.11664	9.2
163.11140	9.1
173.09583	1.7
173.11723	15.1
177.12680	4.6
181.12180	2.3
191.10609	3.5
195.13792	22.3
197.11490	1.4
199.13255	10.3
209.11693	8.6
213.14833	1.7
227.12714	6.4
229.14325	46.6
229.91785	1.5
230.42331	1.2
239.16428	1.5
257.13791	2.9
267.15799	4.0
269.17438	65.5
269.20377	3.1
283.15326	1.5
301.16418	13.1
411.27463	5.9
423.27374	20.3
477.57321	1.5
495.29431	22.7
513.30548	19.7
530.39404	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	530.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35780	1.5
53.03925	4.3
55.01866	2.6
55.05499	16.7
57.03431	15.7
65.03919	2.1
67.05494	25.9
69.03418	5.0
69.07058	8.8
69.18922	1.3
71.04977	6.2
79.05476	32.1
81.03403	67.3
81.07037	33.1
83.04964	18.2
83.08605	26.9
85.02892	28.2
85.06528	3.1
91.05461	36.7
93.07030	20.1
95.04945	29.8
95.08590	10.3
97.02886	3.2
97.06532	5.0
97.10131	2.8
97.33643	1.4
99.08072	2.0
99.99110	1.4
105.07004	26.2
107.04930	11.2
107.08559	9.2
109.06509	5.4
109.10165	4.1
111.04416	1.8
111.08060	13.0
113.05968	2.1
115.05440	1.6
117.07022	1.6
117.14396	1.3
119.08571	20.1
121.06516	1.6
121.10111	8.9
123.08043	4.0
123.11689	3.0
129.06972	9.9
131.08549	13.7
133.06465	4.0
133.10115	13.6
137.09552	3.6
142.07716	3.1
145.10104	3.0
147.08046	4.5
147.11653	18.0
149.09590	7.2
157.10094	15.9
165.12781	4.2
175.11162	17.7
193.12204	66.7
211.13249	100.0
229.89563	1.5
249.14896	1.7
267.15869	32.4
285.16916	98.1
367.22250	1.6
385.23587	3.3
388.35950	1.8
401.90591	1.7
445.34265	1.6
459.27457	13.1
477.28397	14.1
495.29474	42.6
542.27905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05484	0.7
65.03922	1.2
67.05475	1.3
68.04988	0.7
69.03416	1.1
70.06593	2.8
71.04996	0.8
71.78571	0.8
72.08134	1.2
72.18259	0.5
78.04648	0.5
79.05477	1.9
80.05001	0.8
81.03378	1.0
81.05787	2.0
81.07053	0.6
82.06558	1.0
83.04967	2.5
84.08144	1.0
85.02879	1.7
85.06516	0.7
86.09693	1.3
87.04433	0.6
90.37442	0.5
91.05477	3.1
93.03419	1.0
93.07026	0.7
94.04163	1.3
94.06562	1.8
95.04922	1.5
96.08120	4.7
97.02881	0.8
97.06499	1.1
98.50480	0.7
103.05447	1.0
105.07010	2.7
107.04924	4.0
108.04495	0.7
109.02842	0.9
109.06512	1.1
110.07162	0.7
112.07579	0.7
114.09152	100.0
116.07088	1.3
117.03330	0.5
119.04929	3.1
121.02850	0.8
121.06508	4.8
122.03663	2.1
123.04471	0.7
123.08032	0.6
124.03941	0.6
125.11734	0.5
126.09166	0.5
127.03971	0.8
130.04074	0.5
130.08607	0.6
131.04926	0.8
133.06474	1.6
134.03606	1.9
135.04379	1.5
135.08057	1.8
136.07623	0.8
137.05960	62.2
138.48286	0.5
140.07051	0.6
147.04379	4.8
149.05968	13.9
149.07150	0.9
150.05492	0.7
150.06702	1.1
151.03860	0.9
151.07526	3.1
153.05495	1.1
153.07004	2.2
154.08636	1.5
160.09695	1.1
161.05963	10.2
162.06709	2.9
162.09088	1.4
163.03853	2.6
163.07521	4.5
165.06984	1.0
167.07027	4.6
171.13673	0.7
174.11253	4.6
177.05472	1.5
179.07004	7.5
179.08470	0.8
180.10138	1.2
181.06432	3.9
188.09178	1.0
195.08267	0.8
195.10141	12.4
208.09697	2.4
209.06010	1.3
210.06738	1.2
213.03369	0.7
213.09024	3.4
221.05925	1.1
222.06845	0.8
225.09171	2.4
237.09280	0.6
241.08615	4.0
253.08549	3.1
257.11530	0.9
267.10217	0.6
270.08936	0.7
273.11191	11.2
283.09564	4.8
285.11169	15.8
291.09750	0.9
297.11307	2.6
300.14462	0.8
303.12216	2.2
315.12286	2.7
318.15427	20.3
323.12228	0.9
336.16714	1.0
344.45923	0.5
424.70142	0.6
494.23428	0.7
498.19046	1.7
512.24976	1.6
530.26074	29.9
531.25836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05484	0.7
65.03922	1.2
67.05475	1.3
68.04988	0.7
69.03416	1.1
70.06593	2.8
71.04996	0.8
71.78571	0.8
72.08134	1.2
72.18259	0.5
78.04648	0.5
79.05477	1.9
80.05001	0.8
81.03378	1.0
81.05787	2.0
81.07053	0.6
82.06558	1.0
83.04967	2.5
84.08144	1.0
85.02879	1.7
85.06516	0.7
86.09693	1.3
87.04433	0.6
90.37442	0.5
91.05477	3.1
93.03419	1.0
93.07026	0.7
94.04163	1.3
94.06562	1.8
95.04922	1.5
96.08120	4.7
97.02881	0.8
97.06499	1.1
98.50480	0.7
103.05447	1.0
105.07010	2.7
107.04924	4.0
108.04495	0.7
109.02842	0.9
109.06512	1.1
110.07162	0.7
112.07579	0.7
114.09152	100.0
116.07088	1.3
117.03330	0.5
119.04929	3.1
121.02850	0.8
121.06508	4.8
122.03663	2.1
123.04471	0.7
123.08032	0.6
124.03941	0.6
125.11734	0.5
126.09166	0.5
127.03971	0.8
130.04074	0.5
130.08607	0.6
131.04926	0.8
133.06474	1.6
134.03606	1.9
135.04379	1.5
135.08057	1.8
136.07623	0.8
137.05960	62.2
138.48286	0.5
140.07051	0.6
147.04379	4.8
149.05968	13.9
149.07150	0.9
150.05492	0.7
150.06702	1.1
151.03860	0.9
151.07526	3.1
153.05495	1.1
153.07004	2.2
154.08636	1.5
160.09695	1.1
161.05963	10.2
162.06709	2.9
162.09088	1.4
163.03853	2.6
163.07521	4.5
165.06984	1.0
167.07027	4.6
171.13673	0.7
174.11253	4.6
177.05472	1.5
179.07004	7.5
179.08470	0.8
180.10138	1.2
181.06432	3.9
188.09178	1.0
195.08267	0.8
195.10141	12.4
208.09697	2.4
209.06010	1.3
210.06738	1.2
213.03369	0.7
213.09024	3.4
221.05925	1.1
222.06845	0.8
225.09171	2.4
237.09280	0.6
241.08615	4.0
253.08549	3.1
257.11530	0.9
267.10217	0.6
270.08936	0.7
273.11191	11.2
283.09564	4.8
285.11169	15.8
291.09750	0.9
297.11307	2.6
300.14462	0.8
303.12216	2.2
315.12286	2.7
318.15427	20.3
323.12228	0.9
336.16714	1.0
344.45923	0.5
424.70142	0.6
494.23428	0.7
498.19046	1.7
512.24976	1.6
530.26074	29.9
531.25836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03943	2.9
55.01862	1.1
55.05502	10.0
57.03423	3.0
57.07053	1.7
64.70365	0.4
65.03925	2.2
66.10220	0.5
67.05495	41.1
69.03410	0.6
69.07060	13.9
70.62872	0.5
71.04967	2.1
71.25899	1.3
78.45287	0.5
79.05479	32.3
81.03387	1.0
81.07041	44.0
83.04968	2.8
83.08606	7.1
85.06531	1.9
91.05465	19.7
93.07029	36.3
95.04959	4.5
95.08588	21.5
97.06525	4.6
97.10120	1.6
99.08064	1.4
105.04485	0.8
105.07008	13.1
107.08578	21.0
109.06492	1.3
109.10136	6.8
111.08041	3.6
113.09651	0.5
113.92722	0.5
117.07006	7.5
119.08566	8.2
121.09250	0.8
121.10126	16.2
123.08069	1.0
123.11696	1.9
125.09605	0.6
129.06969	2.3
130.07747	0.6
131.08536	12.4
133.10110	8.5
135.08084	0.9
135.11684	9.3
139.11162	1.0
141.06914	0.8
143.08556	3.1
145.10088	6.9
147.11678	4.7
149.09625	0.4
149.13231	17.8
155.08583	1.1
157.10068	2.9
159.11656	10.3
161.13205	2.6
163.14830	1.1
167.08510	0.5
169.10117	1.3
171.11661	1.8
173.13222	3.9
175.14839	1.6
177.12737	1.9
177.16399	0.6
181.10123	0.7
183.11702	1.5
185.13232	1.8
187.14787	2.0
189.16362	0.5
195.11948	0.8
195.13762	4.6
197.13194	1.1
199.14911	0.8
201.16327	0.9
209.13147	0.6
211.14729	0.9
213.14780	0.6
243.20993	1.2
261.22040	4.2
299.23605	0.9
313.25165	0.7
317.24670	1.9
344.27277	0.5
419.33139	1.6
437.34024	4.3
455.35187	2.1
473.36218	0.8
493.36255	0.6
503.13586	0.6
511.37808	2.3
529.38800	100.0
530.39307	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.7
53.03947	2.8
55.01856	2.0
55.05506	11.8
57.03422	2.9
57.07055	2.0
65.03938	1.8
67.05497	44.1
69.03429	0.7
69.07059	15.3
70.40034	2.5
71.04982	2.9
71.08619	0.6
77.03905	0.6
79.05483	30.6
81.03410	1.4
81.07047	48.7
82.46666	0.4
83.04965	2.9
83.08610	8.2
85.06510	2.5
86.80917	0.5
88.07607	0.7
91.05466	20.9
93.07033	44.1
93.12621	0.5
95.04958	6.8
95.08598	22.3
97.06525	5.0
97.10157	2.1
97.59179	0.4
98.20775	0.6
99.08073	1.5
105.07026	15.1
107.04929	0.7
107.08582	23.0
109.06502	1.3
109.10149	6.0
111.08060	3.2
115.05444	0.8
117.07007	8.1
119.08564	10.1
121.10130	17.5
121.10965	1.1
123.08027	0.7
123.11707	2.5
125.09629	0.7
128.06129	0.5
129.06984	2.3
131.08549	12.0
133.10106	7.1
135.08032	0.7
135.11676	9.3
139.11176	1.1
139.60030	0.5
141.06967	0.8
143.08559	3.9
145.10103	7.8
147.11673	4.4
149.09665	0.6
149.13234	16.2
151.11188	0.5
155.08591	1.1
157.10143	2.9
159.11667	11.0
161.13261	3.0
163.14767	0.6
163.80759	0.5
169.10127	1.0
171.11688	2.3
171.33679	0.5
173.13260	3.5
175.14809	1.6
177.12717	3.5
181.10120	0.8
183.11723	1.5
185.13165	2.4
187.14795	1.8
195.11992	1.0
195.13756	5.2
197.13257	0.9
199.14804	0.8
201.16426	0.9
209.13197	0.8
213.14761	0.7
223.14771	0.5
243.21159	0.9
256.26401	2.3
261.22046	3.2
275.20087	0.7
299.23657	0.7
317.24622	1.5
419.33087	0.9
437.34195	4.0
455.35156	1.7
473.36279	0.8
511.38049	2.6
529.38861	100.0
530.38824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01858	1.2
55.05504	9.6
55.48660	0.5
57.02693	0.4
57.03416	2.0
57.07061	2.5
62.67094	0.5
65.03923	1.4
67.05497	23.3
69.07056	9.9
70.93474	1.0
71.04975	1.1
71.08615	1.0
77.03889	0.6
77.61671	0.5
79.05484	19.6
81.03420	1.2
81.07047	26.4
83.04967	1.9
83.08614	5.8
85.06507	1.3
88.41280	0.5
91.05470	14.9
93.07031	21.5
95.04928	2.6
95.08597	15.1
97.06516	2.6
97.10159	1.8
99.08056	0.5
99.43339	0.5
105.07021	12.7
107.08584	11.5
109.06503	1.0
109.10136	5.7
111.08048	1.9
117.07005	7.2
119.08566	10.7
121.06437	0.6
121.10127	8.3
121.69741	0.5
123.08055	1.2
123.11709	1.3
125.09583	0.9
128.06232	0.9
129.06984	4.8
131.08548	12.0
133.10100	6.5
135.08014	0.7
135.11678	4.9
137.09685	0.7
141.06978	1.7
143.08545	7.0
145.10112	10.6
147.11661	4.0
149.13240	6.0
155.08499	2.6
157.10104	5.8
159.11662	7.4
161.13206	3.3
165.12671	0.5
167.08540	0.8
169.08855	0.5
169.10025	2.9
171.11670	4.9
173.09682	0.5
173.13217	4.8
175.11346	0.5
175.14844	1.8
177.12753	1.5
179.08490	0.5
181.10136	1.8
183.11722	3.0
185.11800	0.6
185.13219	3.1
187.14760	2.9
189.16342	0.6
195.11707	1.5
195.13828	1.8
197.13213	1.7
199.11186	0.5
199.14774	3.0
201.16350	1.3
209.13228	1.5
211.14848	1.5
213.16408	1.7
215.17937	1.2
223.14790	0.8
225.16386	1.2
227.17984	0.7
231.17357	0.8
237.16342	0.9
239.17908	0.9
241.19753	0.6
243.21159	0.9
256.26440	0.9
259.20618	0.6
261.22067	1.2
285.21808	0.6
299.23581	0.7
301.22037	0.5
311.23709	0.8
313.25211	0.7
317.24728	1.2
325.25204	0.6
331.26154	0.6
419.33051	2.1
437.34164	7.3
455.35190	3.2
473.36252	1.5
493.36868	0.9
511.37766	5.1
529.38824	100.0
530.38849	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89793	0.5
53.03926	1.9
55.01854	1.2
55.05502	11.4
57.03413	2.0
57.07055	2.4
65.03913	1.5
67.05493	31.9
68.53207	0.5
69.03422	0.9
69.07057	10.0
70.06564	1.5
70.97501	1.2
70.97849	0.5
71.04981	2.5
71.08611	0.6
77.03921	0.6
79.05479	22.6
81.03406	1.6
81.07040	34.8
83.04953	2.1
83.08608	5.6
85.06525	1.5
87.04440	0.9
90.55563	0.5
91.05463	18.8
93.07027	26.0
95.04955	3.4
95.08590	18.9
97.06519	3.0
97.10146	1.9
98.66965	0.6
99.08085	0.5
105.07008	14.2
105.07707	0.8
107.04911	0.6
107.08572	13.2
109.06504	1.4
109.10130	5.8
111.08081	1.9
115.05463	1.0
116.06229	0.5
117.06997	9.4
119.08559	12.4
121.10117	9.8
123.08045	1.1
123.11671	2.3
125.09618	1.2
128.06218	0.8
129.06975	4.4
131.08539	15.9
133.06508	0.6
133.10106	8.4
135.11668	6.8
137.09595	0.6
137.13246	0.7
141.06985	1.8
142.07742	0.7
143.08548	6.3
145.10089	10.8
147.11658	4.5
149.09598	0.7
149.13231	6.2
151.11127	0.8
155.08511	2.5
156.09254	0.8
157.10081	5.2
159.11684	7.3
161.13222	4.3
163.14838	1.1
167.08572	0.9
169.10147	2.6
171.11678	3.7
173.13225	3.5
175.14818	1.7
177.12715	1.5
181.10150	1.7
183.11676	2.1
185.13248	2.8
187.14810	2.7
189.12744	0.6
189.16312	0.8
193.12263	0.5
195.11726	1.6
195.13806	2.7
197.13219	2.3
199.14813	2.2
201.16359	1.8
209.13390	1.0
211.14799	1.2
211.58884	0.5
213.16399	1.9
215.17992	1.2
223.14925	0.9
225.16275	1.2
227.18002	1.0
237.16400	0.9
243.21019	0.8
259.20459	0.6
261.22147	2.3
271.20447	0.6
272.25751	1.1
273.26068	1.0
283.26242	1.6
284.26715	1.9
299.23575	0.7
311.29663	0.6
313.25259	0.5
317.24799	1.0
325.25220	1.2
339.26761	1.1
375.22928	0.7
414.14932	0.6
419.33176	1.6
437.34186	6.9
455.35318	3.5
473.36383	1.8
493.36813	0.9
511.37976	5.2
529.38831	100.0
529.50000	7.7
530.39008	2.1
539.37091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05492	0.7
58.06594	5.6
60.08157	10.2
67.05490	0.9
68.04998	1.5
69.03408	1.0
69.07055	4.2
70.06582	0.6
71.04979	0.6
71.07315	0.3
71.79941	0.6
72.08149	2.2
76.03822	0.3
79.05472	0.9
80.05007	0.3
80.60410	0.3
81.03416	0.9
81.07048	1.6
83.04980	0.4
83.08619	0.4
85.02897	1.0
85.06528	0.4
86.09697	6.5
86.47990	0.3
91.05466	1.4
93.07026	1.5
95.04951	0.7
95.08568	0.8
96.04475	0.9
97.02918	0.4
97.06513	5.2
101.05984	0.3
105.07011	1.0
105.32976	0.3
107.04932	0.3
107.08598	1.1
109.02849	0.4
109.06508	0.6
109.10139	0.8
110.09645	0.3
111.04384	0.3
113.27763	0.3
114.09148	2.4
114.12794	13.7
117.06983	0.4
119.08566	1.1
120.08051	0.4
121.06506	1.2
121.10143	0.7
122.06000	0.4
122.09655	0.5
127.03928	0.6
128.06184	0.4
129.06987	2.2
131.08504	0.7
133.05096	0.3
133.10095	0.9
134.06032	0.3
135.07999	0.3
136.05220	0.4
136.07561	0.8
137.05980	0.6
137.09654	0.4
137.11971	0.5
138.05498	0.3
139.05009	1.6
143.08560	0.3
144.08049	0.7
145.06473	0.6
145.10118	0.5
146.06010	0.8
147.04398	1.0
147.08041	0.4
147.11711	0.3
148.05159	0.6
149.04874	0.4
149.06010	1.3
150.05482	3.8
150.09117	0.6
151.05000	1.0
151.07571	0.4
154.15849	0.7
156.08061	4.3
157.10143	0.5
159.07993	0.5
159.11679	0.6
161.08351	5.6
161.09631	0.7
162.09134	1.6
164.07060	0.9
164.10670	0.4
165.07903	1.7
165.29871	0.4
166.08632	1.8
166.12239	0.6
171.08049	0.6
171.11577	0.4
172.05194	0.4
172.07558	1.6
173.08363	0.5
173.13278	0.4
174.06837	0.3
174.09122	0.6
175.07533	2.8
177.05460	0.4
182.15364	0.8
184.05211	0.9
184.07559	3.2
185.08258	0.6
187.07495	2.0
188.10652	0.8
189.09109	0.4
192.10179	7.4
199.07535	1.0
201.07799	1.0
204.10175	11.9
206.97247	0.3
209.13062	0.3
210.14948	0.4
214.08626	0.7
216.10178	31.5
217.10515	0.8
225.19742	0.4
226.08551	0.7
230.08090	0.5
232.09657	0.4
233.12859	4.7
242.08305	0.3
243.11269	4.1
259.10992	0.7
260.09985	0.4
261.12421	0.8
277.19165	1.2
284.16409	0.4
287.13812	2.1
297.12335	1.2
300.15927	1.0
304.12991	0.4
315.13358	0.4
329.18588	7.7
339.17087	1.1
345.59680	0.3
346.21246	1.0
357.17978	1.2
365.15408	1.1
372.18866	1.5
442.27325	1.9
467.27567	0.4
470.26785	0.7
501.34311	3.0
523.70880	0.3
529.33807	100.0
530.34229	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22955	1.6
55.01858	3.1
55.05505	20.1
57.03425	7.2
57.07061	4.1
65.03925	2.6
67.05495	89.5
67.06879	1.7
69.03410	2.9
69.07062	17.4
70.84049	2.9
70.84421	3.9
71.01331	3.6
71.04958	3.3
73.02915	4.7
74.84104	1.6
75.04453	2.2
79.05483	44.2
81.03403	5.5
81.07043	96.3
83.04940	4.5
83.08601	11.4
85.02892	11.9
85.06541	3.5
91.05471	27.4
93.07029	62.1
95.01291	9.9
95.04948	5.3
95.08591	78.0
96.23853	1.5
97.02912	1.9
97.06503	5.4
97.10164	4.7
99.08101	2.5
105.07010	24.3
107.08576	43.8
109.06531	2.3
109.10139	39.3
111.08012	1.8
113.02345	3.6
117.07001	13.4
119.08557	25.1
120.81850	1.5
121.06490	2.2
121.10126	40.6
123.08027	1.8
123.11690	26.3
125.09560	2.3
129.06992	3.8
131.03416	3.0
131.08554	29.6
133.10110	17.2
135.08058	1.7
135.11674	29.9
137.09593	2.3
137.13231	7.5
139.11162	2.1
141.01802	10.8
141.06924	2.7
141.37335	1.7
142.07765	2.1
143.08540	3.3
145.06442	1.7
145.10101	20.8
147.11636	12.4
149.09540	2.7
149.13225	17.4
151.11177	3.9
151.14833	3.0
155.08528	1.9
157.10121	3.4
159.11678	19.3
161.09737	2.1
161.13257	13.8
163.11223	2.6
163.14804	14.3
169.10054	2.8
171.11649	2.1
173.09651	1.9
173.13214	19.8
175.11134	2.5
175.14795	3.7
177.16406	5.9
179.14247	2.8
185.13228	3.8
187.14812	10.2
189.16367	1.6
199.14778	2.2
201.16342	4.1
205.15820	3.1
233.22623	3.4
238.94914	1.8
243.21048	26.4
261.22101	100.0
263.23785	2.4
273.22144	2.3
275.20004	2.2
279.23126	8.5
317.24670	2.2
335.25769	27.6
337.21814	2.4
339.23401	2.4
351.25406	2.8
353.26822	89.7
354.27145	1.8
355.22601	3.9
365.21118	2.1
377.26813	3.7
383.22363	2.3
419.24271	2.8
431.27826	4.5
439.25046	3.3
475.26871	3.5
493.28079	3.7
511.28714	4.9
529.38617	12.6
556.08740	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18983	0.2
55.05503	0.2
55.93532	0.2
56.05027	0.4
56.33032	0.2
57.05792	0.3
58.06578	0.2
60.01723	0.3
67.05484	0.2
69.07064	7.8
70.06568	0.4
74.02422	0.4
75.05594	1.5
79.05470	0.5
81.05777	0.2
81.07053	0.5
83.04992	0.2
84.11267	0.3
85.02891	0.3
86.06059	2.5
86.09702	100.0
87.05585	1.3
87.10043	0.7
88.03998	0.3
91.05508	0.4
93.07037	0.7
95.04947	0.3
95.08588	1.2
96.08103	0.5
101.27768	0.2
105.07008	0.5
106.07376	0.3
107.08595	1.0
108.08912	0.4
108.38084	0.3
114.05521	8.7
114.09161	8.8
115.09480	1.6
119.08570	0.9
120.08950	0.3
121.10118	0.3
133.06079	6.9
133.10091	1.2
134.10460	0.5
135.11702	0.6
136.12024	0.3
143.11789	8.8
153.06607	0.3
163.34825	0.2
171.07663	3.2
171.11157	0.4
174.11313	1.1
175.14810	0.6
176.15117	0.5
177.05499	0.5
199.18065	0.4
229.11865	1.1
238.15466	0.7
246.14487	13.6
256.16556	12.9
268.79080	0.2
284.16049	32.4
285.16376	1.1
336.16595	0.6
337.16791	0.8
359.23056	0.4
369.24857	0.6
397.24426	4.9
529.32050	3.6
530.33282	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	529.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.7
69.03414	0.5
70.06577	1.7
71.78315	0.4
71.78683	0.6
81.03394	0.3
84.96059	0.3
85.02887	1.5
94.92993	1.0
96.08118	0.4
97.02898	0.6
98.97562	1.0
103.72182	0.3
114.09145	1.4
116.07063	2.2
116.98590	1.2
117.07408	0.8
119.01913	0.8
127.03897	0.6
128.98627	0.4
130.08656	0.4
134.99657	0.7
143.01859	0.3
145.04883	0.3
146.99619	0.5
147.04314	0.4
150.97945	0.4
155.01823	0.6
158.99612	0.5
160.09665	0.3
161.01277	0.3
161.03011	0.9
163.03918	0.5
167.06999	0.4
173.03017	0.5
177.00665	0.8
185.02968	0.6
187.02797	0.3
187.04588	0.4
189.00720	0.5
192.03770	0.3
201.00690	0.6
203.04083	0.3
214.07312	0.3
219.01801	1.0
221.05109	0.4
222.93959	0.7
230.08640	0.3
235.06310	0.3
237.02792	0.8
245.05060	0.8
251.32893	0.3
256.79218	0.3
261.02859	0.8
279.03867	0.4
288.20828	0.3
305.06940	0.4
323.06329	0.4
341.15732	0.4
365.09528	0.5
399.07971	0.4
443.04541	0.4
467.13010	0.5
529.13104	100.0
530.13483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
55.88985	0.4
56.05030	1.3
56.18976	0.4
57.19828	0.4
58.06590	100.0
67.05507	0.8
68.05016	4.0
69.03418	0.6
69.05807	1.3
69.07059	3.0
69.95174	2.5
70.06580	26.9
71.04981	1.0
72.08142	29.6
79.05479	1.7
81.03407	2.0
81.07058	1.7
83.04980	1.0
85.02898	1.1
86.09692	13.3
91.05477	1.5
93.07033	1.7
94.06569	0.9
95.04972	1.3
95.08602	1.6
96.08118	1.6
97.06497	0.5
98.21407	0.7
100.07630	0.7
105.07000	2.9
106.06586	0.6
107.04949	0.7
107.08548	2.0
109.02872	0.6
109.10191	0.9
114.09149	36.7
115.09505	0.4
117.07061	0.4
119.08569	2.9
121.06425	0.4
121.10096	0.7
123.10436	0.6
124.11226	1.1
125.07983	0.4
127.03917	0.9
128.06091	0.4
130.08617	0.9
133.10103	4.2
134.05994	44.7
135.06783	13.6
135.11703	0.9
137.05969	0.7
140.52327	0.4
142.08618	0.6
145.02803	0.4
145.06468	0.4
147.04424	0.7
149.13136	0.4
157.13408	1.7
159.08078	0.9
161.09573	0.7
163.03909	1.8
164.07130	0.4
167.07117	0.4
169.06448	0.4
171.14908	14.9
174.09161	17.2
174.11253	4.1
175.07585	0.5
175.14795	2.3
177.05363	0.8
185.12909	1.2
186.09134	9.6
193.12239	0.6
199.14395	10.3
203.11766	29.7
204.12149	0.5
229.62241	0.4
233.12900	1.7
266.17664	0.5
267.15637	0.5
281.11902	0.5
285.16885	1.2
302.18579	33.2
316.20224	3.9
318.15546	1.2
320.18726	0.5
330.18063	98.7
331.18390	1.4
336.16641	0.6
344.19650	13.2
355.11688	0.5
443.26459	1.3
449.15530	0.4
471.25912	0.7
496.19766	1.0
510.23401	0.6
510.30594	1.3
528.31677	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	528.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13984	0.4
53.03932	0.9
55.05511	2.3
57.07061	0.8
64.20525	0.4
65.03925	0.7
67.05491	3.1
68.05004	0.8
69.07050	3.0
69.81950	0.9
69.82360	2.6
71.04936	1.0
76.88297	0.4
79.05478	5.8
80.04983	0.7
81.05769	1.6
81.07034	5.4
83.04959	2.6
83.08589	0.5
88.48225	0.4
91.05467	4.1
93.07029	11.2
94.06559	1.4
95.04958	0.8
95.08590	12.9
96.08108	5.1
98.21339	0.9
99.08064	1.0
105.07005	12.8
107.08569	16.6
109.06528	0.7
109.10146	1.5
110.07138	1.6
113.09616	2.7
114.09144	100.0
119.08556	19.8
121.10112	3.4
123.08062	0.8
123.11666	3.7
131.08536	0.9
133.10101	29.4
135.11671	17.6
135.12735	0.5
137.09625	1.4
147.11679	2.1
149.13243	1.9
160.12476	0.8
174.11230	10.1
175.14786	27.9
175.78374	0.4
193.15886	1.7
311.46887	0.5
318.15350	2.3
334.14893	0.5
336.16461	28.6
510.24261	0.7
510.30710	5.5
528.31628	69.8
529.31842	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	528.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
65.03929	0.9
68.05013	0.6
69.03423	2.1
70.02273	2.5
70.06573	1.6
79.05470	0.8
81.03403	3.7
81.05786	0.8
83.04980	1.0
84.08111	0.6
85.02876	2.2
86.09695	0.8
89.03890	0.4
91.05469	13.4
92.49537	0.4
94.06533	0.6
95.04996	0.6
96.08123	3.2
97.02875	0.9
99.04415	0.6
103.05450	0.6
105.03368	0.9
105.06998	0.6
107.04927	0.7
109.02849	1.6
114.09150	62.4
119.04929	23.3
119.05806	0.9
121.06526	0.4
124.15691	0.4
127.03902	1.7
130.08583	0.6
131.04927	0.7
131.67670	0.4
132.02080	0.5
133.02866	0.5
135.04361	0.5
140.07016	1.5
142.08597	1.0
145.02809	1.2
147.04385	23.0
149.02365	0.6
157.03943	1.6
160.09666	100.0
161.09975	0.7
163.03896	0.5
164.04640	0.7
175.03882	41.4
177.05490	1.3
179.06985	1.6
190.10664	0.6
207.06496	70.5
246.09604	0.6
274.08850	0.5
322.14917	27.8
338.69550	0.4
351.10703	2.8
369.11743	4.0
460.14148	0.6
482.19745	0.5
492.17026	0.6
510.17801	1.5
528.20624	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03933	2.2
55.01852	1.6
55.05503	14.0
57.03421	2.2
57.07066	1.2
65.03935	1.1
67.05499	27.6
69.03410	1.1
69.07063	7.2
69.77296	3.8
71.04980	2.5
79.05487	18.5
81.03410	17.0
81.07045	23.0
83.04971	2.2
83.08608	8.6
85.06525	1.3
91.05467	16.9
93.07036	19.0
95.04955	7.4
95.08593	14.2
97.06532	1.8
97.10162	6.3
99.08090	0.8
103.05445	0.7
105.04470	0.6
105.07024	14.9
107.04951	1.7
107.08580	12.5
109.06503	2.0
109.10149	8.1
111.08093	1.7
115.05455	1.6
116.06261	0.5
117.07009	8.1
119.08570	13.4
121.06489	1.4
121.10132	8.3
123.08070	1.4
123.11718	1.4
125.09616	3.9
127.00658	0.5
128.06216	1.3
129.06992	6.6
131.08551	14.1
133.06583	0.6
133.10115	8.3
135.08012	1.1
135.11684	4.3
137.09616	1.2
141.06984	1.8
142.07730	1.3
143.08559	8.0
145.06482	0.7
145.10107	10.8
147.08047	1.3
147.11662	5.8
148.12050	0.6
149.09604	1.6
149.13271	3.2
153.09038	0.7
153.12717	0.6
154.07753	0.7
155.08562	4.4
156.09286	0.6
157.10115	8.5
159.11674	7.8
161.09686	0.6
161.13278	2.3
163.11115	0.7
163.14804	0.9
165.12813	0.7
167.08522	1.1
168.09390	0.7
169.10124	4.4
171.11655	7.2
172.12054	0.5
173.11821	0.9
173.13214	5.4
175.11171	2.4
175.14775	1.2
177.05449	2.6
181.10088	2.4
183.11668	4.8
184.59518	0.5
185.13242	5.2
187.14738	2.8
189.11247	1.7
193.12254	6.9
195.11668	2.3
197.13182	3.4
199.11336	0.5
199.14760	2.8
201.16354	1.2
203.14392	0.5
203.17924	0.8
207.11710	1.2
209.13132	2.2
211.14833	1.7
213.16429	1.3
221.13304	0.7
223.14851	1.6
225.16347	1.2
243.21057	0.5
249.14835	0.7
255.17461	0.5
259.20621	1.1
261.22205	2.2
267.15906	0.9
281.19077	0.6
283.20578	0.8
287.19769	0.5
297.22159	0.8
299.23755	0.7
301.25317	1.6
309.21967	0.7
311.23846	0.7
315.23260	1.1
317.24771	0.8
323.23761	0.6
327.23135	1.1
337.25348	0.8
341.24792	1.1
345.24127	0.6
355.26208	0.5
407.28485	0.9
417.31323	2.3
425.34454	0.8
435.28122	0.9
435.32724	9.1
453.33621	8.1
471.34769	4.3
491.34985	1.1
509.36334	5.0
512.35980	0.5
527.37268	100.0
528.37372	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	527.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01858	3.0
55.05495	3.2
57.03427	8.7
59.04984	1.4
61.02907	3.3
67.05486	5.5
68.99770	1.8
69.03417	23.3
69.07055	1.0
71.01336	3.2
71.04976	20.4
73.02898	9.7
75.04463	8.5
79.05467	2.2
81.03406	13.9
81.07046	3.3
83.04963	10.8
85.02890	100.0
87.00815	14.0
87.04458	2.9
91.05471	2.8
93.07031	2.6
95.04955	3.1
95.08599	2.0
97.02876	38.0
97.06518	1.2
99.04449	9.3
103.03904	2.3
105.01846	16.4
105.07020	2.8
107.04897	1.1
107.08571	2.6
109.02867	13.9
109.10134	2.7
111.04422	9.5
113.02401	1.0
115.03913	24.0
119.08536	1.2
121.10133	1.3
123.04427	2.7
127.03894	30.1
129.05464	21.6
130.47182	1.0
131.08549	1.4
133.04993	1.1
133.10081	1.5
135.11765	1.4
139.03871	4.5
139.72676	1.1
141.05385	0.9
145.04948	12.9
147.02843	1.6
147.06503	17.3
149.09644	0.9
150.55746	1.1
151.03880	1.5
153.05473	0.9
157.04941	1.6
159.02904	4.3
163.11215	1.0
165.07539	2.0
169.04858	2.2
171.06519	3.9
181.04947	2.4
189.03979	2.3
195.06532	1.8
199.05904	1.2
213.03926	3.2
223.06024	2.7
225.07506	6.4
231.04947	8.6
243.08577	10.2
249.05943	5.5
261.09689	1.8
273.06030	3.6
279.10699	21.1
314.60962	1.0
341.08560	1.3
345.08096	1.5
363.09021	1.1
395.89658	1.0
527.27820	1.7
527.35400	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	527.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01851	3.3
55.05495	4.8
57.03423	8.6
61.02917	3.5
67.05486	5.5
69.03418	27.6
69.07060	1.6
69.46905	12.1
71.01339	3.0
71.04980	23.4
73.02913	7.4
75.04468	7.3
79.05487	3.7
81.03409	14.8
81.07046	6.0
83.04970	11.6
83.08608	1.4
84.08138	1.0
85.02892	100.0
87.00816	15.6
87.04469	3.0
87.14931	1.3
91.05463	2.5
93.07040	3.4
95.04957	4.3
95.08614	2.8
97.02874	38.9
97.06522	1.7
97.10162	1.5
99.04417	5.3
103.03918	2.2
105.01855	19.1
105.07005	2.8
107.08568	4.6
109.02867	15.5
109.06509	1.3
109.10117	3.2
109.98351	1.3
111.04432	9.1
113.02400	1.8
113.05969	2.1
115.03914	25.8
115.04686	2.0
117.01856	1.3
119.08552	3.3
119.79977	0.9
121.10104	2.7
123.04450	2.3
123.69811	1.2
125.05933	1.8
125.09543	1.4
127.02995	2.3
127.03899	35.2
129.01747	2.0
129.05458	24.5
131.08597	1.5
133.06459	1.3
133.10106	2.2
135.04413	1.3
135.08040	1.2
135.11659	2.8
139.03882	5.0
145.04950	11.8
147.02875	1.5
147.06493	15.0
147.11725	1.1
151.03882	1.6
153.05505	1.3
157.05026	1.6
159.02885	4.5
165.09111	1.2
169.04993	2.8
171.06505	3.0
175.11220	1.5
187.14816	3.1
189.03929	2.3
195.06415	1.3
198.82610	1.3
199.06026	1.5
213.03952	3.7
225.07565	7.0
231.04903	9.1
237.07492	2.0
241.07007	1.9
243.08649	8.3
249.05980	3.0
261.09738	2.7
273.06094	3.4
279.10699	21.4
345.08395	2.6
363.09177	2.3
382.94257	1.2
509.35806	1.2
527.31256	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	527.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01849	4.1
55.05497	6.0
57.03422	9.9
59.04975	1.7
61.02909	4.5
65.03890	1.5
67.05496	8.4
69.03417	26.2
69.07040	2.3
71.01331	3.0
71.04984	22.3
73.02905	9.9
75.04479	7.1
79.05478	4.3
81.03404	18.5
81.07047	8.1
81.07457	1.5
82.40713	1.3
83.04961	14.7
83.08636	1.3
85.02891	100.0
85.06522	2.2
86.06106	1.5
87.00820	14.2
87.04478	2.2
91.05465	4.4
93.07028	5.4
94.76200	1.3
95.04960	5.7
95.08584	5.6
97.02879	38.7
97.06523	1.9
97.10174	1.4
99.04442	7.7
99.94434	1.3
101.02296	1.5
103.03930	3.6
105.01844	23.9
105.07001	4.4
105.69581	1.2
106.33567	1.2
107.04916	2.6
107.08589	3.7
109.02857	17.1
109.06483	1.9
109.10143	4.2
109.39999	1.2
111.04416	10.3
113.05993	2.3
115.03902	23.1
119.08541	3.5
121.10141	3.1
123.04419	2.9
125.09623	2.1
127.03891	34.5
129.05449	24.5
131.08527	1.7
131.53581	1.4
133.06519	1.6
133.10092	4.5
135.08060	1.6
135.11665	1.7
139.03888	4.7
145.04938	13.8
145.10136	3.0
147.06493	14.4
147.11659	2.0
151.03908	3.0
157.04955	2.2
157.10057	2.1
159.02895	5.2
159.08009	1.4
159.11722	1.9
163.11182	1.8
165.07648	1.6
169.04941	3.2
171.06529	4.1
187.06032	1.8
189.03954	3.0
195.06549	1.4
206.17720	1.5
213.03932	3.5
223.06042	2.7
225.07495	6.9
231.04973	9.2
237.07578	2.5
241.07063	1.6
243.08678	9.6
249.06024	3.0
261.09589	2.5
267.16080	2.2
273.06052	5.3
279.10678	21.9
345.08398	2.3
363.09164	2.3
527.30505	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	526.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.4
57.03424	10.9
57.07054	5.7
57.39911	1.2
59.04990	4.3
65.03931	2.4
67.05497	100.0
69.07056	14.3
70.07550	7.7
71.04971	3.4
71.08592	1.6
79.05479	10.8
81.07042	40.7
83.08607	11.5
85.06502	1.8
89.06023	19.3
91.05479	8.5
93.07023	12.9
95.08601	30.2
95.22049	1.3
97.06521	2.4
97.10125	4.8
105.06985	3.9
107.08586	8.1
109.10143	77.0
111.08075	4.1
119.08576	6.6
121.10117	5.7
123.11664	5.5
132.68756	1.4
132.84389	1.3
133.08577	15.4
133.10121	5.9
135.11674	1.9
137.09601	3.3
147.11601	1.8
149.13304	2.2
155.10617	3.1
161.13284	1.7
163.96983	1.7
173.11703	18.1
177.11188	3.1
229.14319	82.3
245.22604	2.3
252.26534	1.5
263.23636	4.3
327.20126	12.9
337.27310	80.8
491.37241	67.5
492.37781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01859	2.5
57.03443	1.5
61.02914	1.7
65.03916	1.8
69.03413	5.6
70.01296	1.2
70.06591	3.6
71.14052	3.8
72.08143	1.5
75.11652	1.4
79.05482	2.1
80.04984	1.6
81.03400	6.6
81.07034	2.9
85.02892	12.8
86.09711	1.6
91.05469	5.6
93.07032	3.2
94.06551	1.9
95.04954	3.4
95.08582	1.8
97.02873	7.5
99.04419	2.0
103.05428	6.0
105.07009	3.3
107.04952	3.5
108.04462	2.0
109.02853	4.3
109.06472	1.6
110.06010	1.6
114.09171	5.5
117.07003	1.5
119.04922	5.1
119.08587	2.1
121.06490	4.2
121.10143	3.2
122.03617	3.2
123.04418	4.9
123.11736	1.8
125.05967	1.8
127.03897	5.4
128.06190	1.8
129.06972	5.9
130.08635	2.1
131.04895	10.4
133.02892	1.7
133.06479	1.5
133.10129	2.0
135.04390	2.9
135.08047	1.5
136.03920	39.6
136.05000	2.2
136.06154	14.3
137.04288	2.6
137.05956	69.9
139.07632	1.2
143.08467	1.7
145.02820	4.5
145.04955	2.8
145.06461	2.0
147.04396	6.7
147.08015	2.1
149.05951	10.7
150.06714	2.2
151.03882	2.1
151.07509	30.0
154.04980	14.0
157.06456	4.8
161.05974	6.9
161.09579	5.9
162.06801	1.6
163.03946	3.0
163.07509	94.3
165.07031	1.6
167.07060	3.7
167.10640	1.8
175.07516	18.9
177.05467	8.6
187.07475	3.6
189.09058	23.1
193.08546	2.0
193.10165	2.2
195.08000	4.1
207.06798	1.3
207.10120	16.5
211.07428	2.2
213.09122	3.1
221.06006	4.6
225.09032	2.5
227.10675	1.8
238.06136	1.7
239.07080	3.5
241.08553	4.5
249.09111	2.1
253.08606	5.3
253.12199	3.3
258.08710	2.0
267.10178	2.2
268.10992	2.1
270.08804	1.8
271.09616	15.1
273.11203	6.9
276.62234	2.6
280.08054	4.6
285.13605	5.2
297.11166	1.7
298.09253	4.7
299.12735	14.8
317.13794	100.0
318.14236	2.6
329.13690	2.2
353.11270	2.2
364.19870	2.2
468.18222	1.4
494.18976	2.7
508.24091	2.2
526.24237	3.9
527.17065	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	526.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
61.02902	1.4
61.90475	0.9
63.82973	0.9
65.03932	1.4
67.05505	1.1
69.03419	4.6
70.06577	3.8
71.24474	1.1
76.86562	0.9
79.05486	2.7
81.03410	5.8
81.04590	0.9
81.07065	1.8
82.57756	0.9
83.04999	1.1
84.08099	1.2
85.02890	12.9
91.05458	7.6
93.07015	3.3
95.04947	3.8
95.08588	1.5
97.02892	5.2
98.21402	1.7
99.04452	1.6
103.05473	6.2
105.07015	2.5
107.04926	2.4
107.08608	1.3
108.04462	1.1
109.02872	3.6
109.06503	2.2
114.09151	3.7
115.05423	1.5
117.06992	1.8
119.04925	6.8
121.06496	4.1
121.10107	7.4
122.02374	1.2
122.03643	2.3
123.04411	4.0
123.11687	1.5
127.03901	4.4
129.06999	3.9
130.08623	2.0
131.04901	12.5
133.10129	1.3
135.04347	2.2
136.03928	34.1
136.06160	7.3
137.05963	64.1
140.07018	1.8
143.08536	2.0
145.02850	2.3
145.04924	2.7
145.06502	1.1
147.04362	5.3
147.08040	2.0
149.05956	10.5
149.09576	1.1
150.06731	2.3
151.07527	28.9
154.04965	11.6
157.06435	4.9
161.05971	7.8
161.08392	1.0
161.09552	4.9
163.07526	89.1
164.07982	1.1
165.07051	1.2
167.07037	3.1
167.08479	1.7
167.10664	3.5
171.48192	1.0
175.07521	18.3
177.05440	4.5
181.08687	1.3
187.07442	2.3
189.09099	20.3
189.12665	1.0
192.33571	0.9
193.06413	1.9
193.08583	2.4
193.10123	1.6
193.12303	0.9
195.08057	2.6
207.10130	13.9
210.06740	1.1
211.07477	2.7
213.09047	3.1
214.23102	1.1
219.19762	1.1
221.05965	3.2
221.09476	2.4
223.07437	1.9
225.09010	2.0
227.10664	1.4
229.85332	1.1
237.09175	1.0
239.06987	3.8
241.08614	4.2
251.06964	1.4
253.08488	4.7
253.12227	3.6
256.07632	1.0
258.08786	1.5
259.23758	1.0
267.10303	1.2
271.09619	15.4
273.11212	6.9
276.62274	2.1
280.08133	3.9
281.11612	1.6
285.10889	1.4
285.13626	4.1
285.63556	1.7
297.11621	1.0
298.09149	6.1
299.12814	15.2
317.13809	100.0
318.14050	1.6
329.13730	1.7
331.15179	1.4
353.11432	1.6
364.19775	1.5
412.92761	1.0
425.15857	1.4
449.79922	1.1
494.19324	2.3
508.22952	1.5
526.23724	1.9
526.30865	1.2
527.17194	3.3
527.24402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05468	1.4
58.10947	0.5
61.27757	0.6
66.17274	0.5
67.05478	3.2
68.04988	0.5
69.03396	1.4
69.07048	4.8
70.06541	1.2
70.07397	0.6
70.39348	2.1
71.04948	1.2
79.05456	1.5
80.04990	0.6
81.05737	1.2
81.07040	4.9
82.06519	0.7
82.07365	0.7
83.04950	0.7
85.02872	1.4
85.06522	0.8
86.09654	1.2
89.03900	0.7
91.05413	1.4
93.06970	1.9
94.06546	6.7
95.04923	1.7
95.08586	3.6
96.08051	1.7
96.08916	0.8
96.87599	0.6
97.02865	0.7
97.06508	0.7
103.05415	0.6
105.06997	1.3
107.04908	0.9
107.08530	2.4
109.06445	1.4
109.10132	4.3
110.05988	0.8
111.08025	0.8
114.09148	34.8
116.04896	1.1
119.08482	1.1
120.04421	1.3
120.08089	3.2
121.08473	0.7
121.10096	1.3
122.06005	10.9
123.07989	2.1
123.11642	1.2
127.03914	0.9
130.08598	1.2
131.08495	1.8
132.08064	0.7
134.06024	0.7
135.07990	2.6
136.07463	0.8
137.05904	1.0
138.05428	1.6
138.10193	0.7
140.01527	0.6
140.06020	0.9
140.07037	16.4
144.04370	1.1
146.06020	4.5
147.06688	1.1
149.09581	0.8
149.13142	0.8
154.08557	0.7
159.11469	0.5
160.07507	1.8
161.07829	0.9
162.05397	1.0
166.04956	0.9
168.55142	0.6
172.03900	8.5
173.13168	1.1
174.05478	6.1
174.11234	2.9
178.08614	0.7
181.04941	0.7
190.04941	4.7
191.05779	0.9
191.14174	1.1
192.06465	0.7
197.10756	1.2
204.06526	8.6
206.08109	4.5
209.10683	2.0
210.11389	0.7
211.12192	1.4
212.09332	1.9
216.10172	1.5
220.09613	2.3
221.10335	1.0
222.07855	0.9
222.11502	0.6
223.12209	3.6
224.09357	1.1
225.10216	8.5
226.10922	1.0
227.11688	0.9
233.10762	0.7
234.09070	1.4
235.08643	3.8
235.12224	1.1
235.14377	1.3
236.09270	6.4
237.07880	1.3
237.10190	21.6
237.12337	1.1
238.10924	1.8
239.11714	2.8
241.09715	0.8
249.10179	4.8
250.11041	3.9
251.07933	1.4
251.11761	23.7
252.08871	4.8
252.12523	2.1
253.09692	6.6
253.13277	1.9
255.11241	4.0
261.12259	1.3
263.11682	1.7
264.08871	1.7
265.09686	28.7
266.10480	5.4
267.11240	16.0
278.06522	4.0
278.10358	1.1
279.11169	28.3
280.09106	0.7
280.11929	3.6
281.12708	2.1
282.10074	0.7
283.10739	4.3
284.11438	1.9
285.12265	4.0
286.13144	0.9
291.11212	1.4
291.26843	1.1
292.08118	0.9
293.09146	22.6
294.09888	4.6
295.10715	19.7
296.11356	1.2
297.12314	7.5
307.10742	7.8
308.11639	1.0
309.12262	8.6
309.28098	0.8
311.10132	3.1
312.10852	3.5
313.11749	20.6
318.15451	2.0
324.10980	1.8
325.11774	36.4
326.12369	1.8
331.12842	2.3
335.10205	25.4
337.11636	1.6
345.14462	6.6
353.11252	100.0
354.11948	3.1
355.12848	3.1
357.14185	1.1
358.14960	0.6
367.12497	1.0
368.16776	1.1
369.14450	1.2
371.12177	1.4
385.13870	13.5
386.14539	0.7
422.20575	0.7
424.18790	0.7
450.20135	1.9
452.18140	2.3
466.19620	4.9
476.18024	2.3
494.19141	93.1
495.19458	1.4
498.22006	0.9
498.28094	0.9
508.20575	0.9
512.20172	1.0
526.21771	5.2
526.29999	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	526.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	0.4
57.03421	0.3
69.03411	1.3
69.79179	2.2
70.06593	0.4
72.08144	0.3
78.04687	1.2
79.05486	0.5
81.03416	0.5
81.07084	0.3
82.09173	0.3
84.08121	0.6
85.02898	3.2
86.06077	0.4
89.06032	0.5
90.94834	0.3
95.04944	0.8
97.02873	1.2
97.06452	0.3
98.21461	0.4
98.97586	0.4
106.04174	0.5
109.02849	1.1
115.03944	0.5
116.98612	0.6
123.04411	3.7
124.05196	1.2
125.06013	0.3
127.03902	1.0
130.08618	4.4
132.95824	1.4
135.04420	0.3
137.05942	0.8
145.04893	0.8
146.97357	0.9
149.09552	0.4
150.96864	0.6
151.03918	0.7
152.04657	1.2
153.05424	0.7
159.92319	0.3
163.03905	0.4
164.98404	0.6
167.07018	100.0
168.07294	1.1
180.08760	0.5
185.08096	1.8
192.97925	1.4
202.10698	0.6
202.96326	1.4
262.98474	1.8
295.01282	0.4
295.98413	0.7
317.94733	0.3
328.05273	1.1
364.16010	1.6
377.98724	1.1
393.54587	0.3
411.99316	0.9
448.10736	0.5
508.04028	0.4
508.11945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16798	0.9
67.05492	1.7
69.03396	0.8
69.07051	3.9
74.87605	0.8
79.05485	1.5
81.03411	1.0
85.02881	0.9
91.05487	1.0
94.06557	7.6
97.06536	0.8
105.07025	1.2
107.08601	1.5
110.06044	0.9
114.09158	19.3
120.04451	1.2
122.06014	10.5
123.04480	0.9
130.08614	2.7
133.10065	1.2
135.08073	1.0
136.03935	9.6
137.09610	1.3
138.05481	2.1
140.07036	13.6
140.08014	1.5
144.04419	1.4
146.06007	4.3
147.06787	1.1
154.04968	4.2
154.08527	0.9
162.05435	0.9
162.09106	1.2
166.04948	0.9
168.93166	0.7
171.41093	1.0
172.03848	7.8
173.04752	1.4
174.05508	5.4
174.11102	1.0
190.04919	4.0
191.05753	1.1
204.06528	9.2
204.61517	0.9
206.08076	3.4
208.09732	2.1
209.10841	2.4
211.12170	1.2
212.09314	1.5
222.07805	1.4
223.12228	2.1
224.09430	1.1
225.10214	9.7
226.10805	1.6
227.11829	0.9
234.09171	1.3
235.08665	4.7
236.09236	5.8
237.10190	22.0
238.10945	1.3
239.11821	3.6
241.09686	1.2
241.57141	0.9
249.10075	4.6
250.10986	2.8
251.08101	1.3
251.11781	26.2
252.08902	5.3
252.12515	2.9
253.09703	7.4
253.13164	1.3
255.11273	3.6
261.12274	2.5
263.11777	1.7
264.08896	2.7
265.09698	29.2
266.10562	4.8
267.11237	18.1
277.09921	1.3
278.06522	3.7
278.10544	1.7
279.11194	25.6
280.08160	1.1
280.11993	3.5
281.09106	0.9
281.12967	2.7
283.10764	2.7
284.11404	1.0
285.12311	3.4
287.10193	4.2
291.11182	1.6
292.08231	1.7
293.09164	25.6
294.09903	3.8
295.10690	17.1
297.12277	9.1
298.09256	2.8
307.10672	8.8
309.12271	7.1
311.10101	2.6
312.11032	4.0
313.11801	21.4
324.10999	1.8
325.11798	35.9
326.12415	1.9
331.12659	2.3
335.10211	22.4
337.11697	2.3
345.14389	5.5
353.11270	100.0
354.12073	3.4
355.12762	2.9
369.13873	1.0
371.12354	1.2
385.13916	15.2
440.09793	0.9
450.20108	3.4
452.18045	1.8
453.19116	1.3
466.19830	4.7
476.17932	2.9
494.19171	94.4
495.19714	2.3
520.78705	1.0
526.21790	4.2
526.29944	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	526.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18163	0.1
53.03934	0.4
55.01858	0.4
55.05505	3.8
57.03413	0.3
58.02956	0.2
58.06593	0.3
61.02922	0.2
62.00814	0.2
68.04998	0.2
68.99770	0.5
69.03420	1.6
69.07050	0.3
70.06571	0.5
71.04964	0.3
71.79603	0.3
79.05481	1.8
81.03399	1.9
81.05786	0.3
81.07058	0.2
82.06563	0.6
83.04962	0.2
84.08136	2.6
85.02898	1.8
87.00822	1.0
91.05454	0.5
93.07072	0.3
94.06565	0.3
95.04979	0.2
96.08107	0.4
97.02879	0.9
98.06056	0.6
99.04436	0.6
100.11246	0.3
103.05452	6.3
104.13891	0.1
105.07037	0.5
107.04941	2.3
107.08578	0.3
109.02861	1.9
110.06018	0.5
111.04477	0.3
112.07593	6.0
114.09151	5.9
119.08511	0.2
121.05695	0.3
121.06490	3.5
121.10199	0.2
122.06004	0.4
127.03904	2.2
128.07114	0.3
130.08626	100.0
131.04915	2.8
131.08983	0.8
133.10104	0.2
135.07983	0.2
136.07570	0.2
137.05968	0.6
137.09567	0.2
140.07028	0.6
145.02876	0.2
145.04874	0.3
146.06012	0.2
147.04358	0.3
147.11652	0.3
148.11201	0.2
149.05971	1.0
151.07561	0.2
154.05008	0.2
159.02939	0.2
161.06065	0.2
163.03966	0.2
172.03870	0.3
172.09695	0.4
174.11276	0.8
175.14615	0.2
177.05525	0.4
191.14328	0.3
204.06538	0.2
207.06531	0.3
208.09726	0.5
213.03964	0.5
217.04999	0.5
237.10097	0.8
249.10104	0.3
251.11800	0.7
265.09756	0.9
267.11343	0.6
279.11234	0.6
286.75583	0.2
287.10239	0.5
292.13828	1.3
293.09235	0.7
294.10010	0.2
295.10687	0.9
297.12341	0.2
307.10852	0.4
309.12329	0.6
313.11801	0.6
325.11777	1.2
327.13052	0.2
335.10242	0.9
336.16660	0.3
337.11768	0.3
353.11288	2.9
355.12927	0.2
360.12817	2.4
369.14578	0.3
378.13907	0.5
379.10150	0.3
385.13904	0.7
493.38623	0.2
494.19128	3.2
508.18628	0.2
526.19281	2.8
526.30072	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	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05504	11.8
57.07066	6.2
59.86384	1.4
67.05493	17.8
69.03421	3.1
69.07061	39.3
69.62198	4.8
69.62613	10.7
70.06581	2.6
71.04993	4.2
71.08607	4.6
78.04154	1.7
79.05478	14.1
81.03403	3.7
81.07044	100.0
83.04968	2.2
83.08611	14.8
85.02898	7.0
85.06521	12.0
88.81241	1.5
91.05456	10.9
93.07024	32.5
94.06557	4.0
95.04967	1.9
95.08594	75.1
97.06538	4.0
97.10154	6.6
99.04436	2.6
99.08073	9.7
100.11195	1.9
103.05437	5.8
105.07016	9.2
105.49228	1.7
107.04927	3.3
107.07899	3.4
107.08578	37.4
107.09236	3.3
109.02859	3.7
109.10146	64.2
111.08048	9.7
111.11703	7.2
113.09625	2.2
114.09134	9.7
119.08559	8.0
120.08092	2.4
121.10141	28.9
122.06036	2.6
123.08083	2.8
123.11687	55.4
125.09644	2.6
127.03919	4.9
127.11192	2.0
130.08606	17.8
131.04895	6.0
133.06465	1.9
133.10117	8.3
135.11678	22.9
136.07605	1.6
136.21762	1.8
137.05986	7.9
137.13235	32.2
138.05571	2.6
139.11166	1.9
140.07076	6.8
145.02763	2.4
146.05962	1.9
147.04364	4.9
147.08109	1.8
147.11662	5.1
148.11246	4.4
148.56418	1.9
149.13246	32.1
151.03886	1.8
151.14796	4.5
153.12712	9.2
159.46555	1.6
161.05966	2.5
161.13242	5.5
163.03870	2.2
163.07556	1.7
163.11153	3.0
163.14821	15.4
165.16379	3.6
167.07007	2.2
167.14264	8.2
172.03902	2.3
175.14769	2.0
177.05495	4.0
177.16357	15.1
179.17931	5.4
181.15887	3.6
189.16370	4.0
191.14403	2.1
191.17973	8.4
195.17540	2.2
203.17969	5.4
205.19585	6.1
206.11629	1.8
207.06676	2.5
217.19435	8.0
221.19003	2.8
235.20537	3.2
236.09436	2.4
237.10175	6.2
247.24232	5.9
251.11742	6.8
261.25760	7.7
263.11752	2.9
265.09735	8.6
267.11261	5.2
273.25729	16.2
277.16483	2.4
279.11197	8.7
279.26758	14.4
282.95847	1.7
291.26788	76.6
293.09155	5.0
295.10709	6.5
296.11499	1.9
297.12152	1.9
307.10556	1.9
309.12350	3.2
309.27850	58.8
313.11746	6.4
325.11847	9.5
327.28940	11.1
335.10159	4.7
337.11700	2.3
345.14215	2.3
345.30136	2.6
353.11261	26.0
354.11908	2.1
369.14432	5.1
385.13968	4.1
494.19238	24.9
526.30566	3.2
547.64807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98694	1.0
53.03932	4.0
55.01855	1.7
55.05505	10.2
55.33028	1.1
57.03432	1.2
57.07071	9.2
59.04989	1.7
61.02897	1.1
64.58517	1.0
65.03931	2.4
67.05495	21.6
69.03413	3.1
69.07061	33.7
71.04983	2.6
71.08618	7.4
77.03838	1.4
79.05474	13.1
81.03406	3.2
81.07046	100.0
83.08606	16.0
84.08077	1.0
85.02876	5.1
85.06542	13.2
86.09681	1.5
89.03913	1.2
91.05459	5.8
93.07034	33.5
95.04948	2.5
95.06112	5.4
95.08595	72.4
97.06519	5.0
97.10141	6.9
99.08083	6.6
103.05454	1.4
105.07004	7.8
107.04910	1.6
107.08580	37.5
109.02876	2.3
109.06532	2.2
109.10143	53.1
111.04440	1.8
111.08070	10.3
111.11711	7.6
113.09628	2.6
114.12793	1.7
116.07070	1.3
117.03384	2.9
119.08579	8.2
120.08054	1.4
121.10134	24.4
123.08015	2.9
123.11687	57.6
125.09578	2.3
125.13225	2.4
127.03891	1.6
127.11183	2.1
130.08621	1.5
131.04947	2.8
133.10098	6.7
135.04399	1.4
135.11676	21.4
136.03934	1.1
137.05965	8.6
137.09554	1.3
137.13237	28.7
137.71027	1.0
138.10233	16.3
139.11169	5.1
141.12743	4.1
143.08629	1.3
145.02841	12.3
145.04968	1.5
145.10141	1.7
147.04385	1.9
147.11630	6.8
149.05945	3.0
149.13231	27.3
149.14441	1.6
151.14798	4.0
153.12738	12.9
155.14299	1.8
161.13222	4.6
163.03938	1.8
163.07523	4.8
163.14804	12.6
165.16376	2.8
167.14305	6.0
171.13779	2.3
175.03912	1.2
175.07495	1.2
175.14803	2.6
177.05470	27.7
177.09068	3.1
177.16394	10.8
178.05821	1.5
179.17982	4.7
181.15977	1.3
189.16399	2.9
191.17877	6.7
203.17960	3.2
205.19534	3.8
207.06465	2.4
217.19426	6.7
235.20653	1.9
247.24214	1.8
253.21738	1.7
261.25793	5.4
273.25735	14.4
279.26804	7.5
291.26791	52.8
297.27896	10.1
309.27838	33.1
327.28894	31.1
337.11819	1.8
339.10522	1.3
345.29984	2.6
385.13904	1.2
454.70050	1.4
525.31995	5.1
526.22021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51633	1.6
53.03941	2.2
55.05502	9.9
57.03431	1.8
57.07065	12.2
61.02912	1.5
67.05499	21.1
69.03423	2.4
69.07060	42.7
71.04941	3.4
71.08617	6.0
79.05478	17.6
81.03387	2.4
81.07046	100.0
83.08611	16.5
85.02891	6.2
85.06538	13.2
86.09696	2.8
88.54758	1.5
91.05450	7.5
93.07033	29.4
95.04975	3.1
95.06080	32.5
95.08597	78.4
97.02895	4.3
97.06502	4.5
97.10162	7.9
99.08077	7.7
100.11243	2.3
105.06995	9.3
107.08580	42.1
109.06517	1.9
109.09397	2.7
109.10145	56.7
111.04410	2.6
111.08072	10.6
111.11693	7.7
113.09616	2.9
114.09144	3.8
117.06961	1.8
119.08582	8.5
120.08111	2.2
121.10128	25.8
123.07951	5.5
123.11691	62.3
125.09662	2.2
130.08597	2.0
131.04906	1.8
132.88768	1.5
133.10101	5.4
135.07980	1.8
135.11681	23.2
136.07585	1.5
137.05952	7.2
137.13235	29.4
138.10246	78.6
139.11171	5.3
141.03667	1.7
141.12698	5.4
141.66031	1.7
145.02776	3.8
145.10066	2.4
147.04503	2.4
147.11676	8.5
149.13220	27.6
151.03928	2.5
151.07478	2.0
151.14804	6.4
153.12709	13.9
159.11627	1.5
161.13251	4.2
163.14813	14.8
165.16434	2.7
167.07104	1.5
167.14314	8.8
175.14807	3.7
177.05414	7.1
177.16327	10.4
179.18007	3.9
181.15874	2.2
188.07062	2.1
189.16417	3.5
191.03188	1.8
191.17993	4.7
203.17937	5.1
205.19525	5.4
207.06488	2.9
217.19508	6.0
235.20563	1.9
244.94380	1.7
247.24152	2.2
261.25742	4.2
273.25760	18.0
279.11249	2.0
279.26675	7.4
291.26773	62.8
297.27884	5.2
309.27832	35.5
327.28860	24.9
345.30011	3.0
353.11105	1.8
354.11786	1.7
386.13873	1.7
462.23480	1.6
480.26102	3.2
525.20160	2.7
525.31909	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	525.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01870	0.9
55.05507	7.3
57.07057	1.5
59.04993	1.0
62.48885	0.8
65.03931	1.1
67.05497	7.7
69.07064	7.0
71.79805	1.6
78.84225	0.9
79.05480	8.6
81.07040	10.1
83.04958	2.2
83.08615	6.3
83.26550	0.8
91.05463	8.8
93.07034	10.9
95.04935	1.8
95.08595	13.2
97.06512	3.6
97.10182	1.3
101.99099	0.8
105.07013	16.9
107.08585	17.5
109.06496	3.1
109.10142	8.4
111.08056	1.6
115.05485	0.9
117.06996	4.5
119.08573	18.6
121.06523	1.2
121.10121	11.9
123.08047	2.6
123.11707	2.2
125.09615	1.1
125.16340	0.8
129.06966	6.4
130.07784	1.2
131.08545	13.3
133.06482	7.6
133.10109	16.3
135.08040	2.7
135.11688	8.5
137.09621	1.6
138.10196	0.9
141.06973	2.7
142.07761	2.3
143.08539	9.9
144.09319	1.8
145.10106	14.6
147.08005	6.3
147.11646	9.7
149.09625	2.0
149.13222	4.3
151.11108	1.0
153.07088	0.9
153.09100	1.6
154.07732	1.6
155.08507	8.6
156.09366	4.3
157.10118	15.3
158.10919	1.7
159.08023	1.2
159.11665	18.7
161.09561	2.4
161.13234	6.1
163.11165	1.3
165.09081	1.5
167.08530	4.1
168.09332	1.9
169.10109	15.0
170.10890	7.1
171.08014	1.2
171.10378	0.7
171.11670	18.4
173.09544	1.5
173.13226	10.6
175.11160	1.9
175.14796	3.1
177.12666	1.1
179.08542	2.3
179.10605	1.3
180.09325	1.0
181.10095	9.9
182.10904	2.3
183.11676	15.8
184.12483	1.4
185.09665	1.8
185.13240	30.7
187.11131	3.2
187.14804	9.6
189.12714	1.2
189.16296	2.4
189.48734	0.8
191.10626	1.4
193.10100	2.9
193.12042	1.8
194.10895	1.1
195.11671	10.6
196.12436	2.1
197.13232	11.5
199.11186	1.3
199.14818	7.6
201.12810	1.0
201.16333	1.8
205.10176	1.7
207.11742	4.4
207.13528	1.1
208.12474	2.2
209.09570	1.1
209.13252	8.2
209.55443	0.8
210.13992	1.1
211.14793	7.1
213.12842	1.9
213.16324	6.3
215.14241	1.4
215.17931	1.5
217.12224	1.6
217.15843	1.0
219.11697	1.9
219.13728	9.1
220.12425	2.0
221.13268	5.5
222.14001	2.4
223.14781	7.0
224.15604	1.2
225.16344	4.6
227.17947	3.8
231.13736	2.0
232.12352	1.2
233.13179	2.7
233.15356	2.4
234.13885	1.1
235.14690	5.1
236.15312	1.1
237.16351	12.0
239.17931	7.5
241.15839	1.2
241.19420	1.1
245.13101	1.3
245.15453	2.1
247.14769	3.6
249.13249	0.8
249.16293	4.5
251.17964	6.9
253.19493	15.8
255.21123	1.0
259.14749	1.9
260.15671	1.9
261.16330	3.6
262.17014	0.9
263.17880	4.9
264.89288	0.9
265.15836	1.2
265.19479	3.2
267.17722	1.0
267.21088	1.0
269.15283	1.3
271.17105	1.4
273.16077	1.5
273.18665	1.8
274.17184	1.3
275.17856	4.2
277.19464	3.1
279.16006	3.0
283.16901	4.9
285.18671	1.8
287.17773	1.9
289.19446	5.6
291.20966	4.5
293.18851	1.6
297.18527	2.2
299.20294	4.2
301.19391	2.6
303.20978	4.3
305.18951	1.3
309.18475	1.5
317.18976	2.8
317.22623	3.7
319.20316	2.4
321.18307	1.4
329.22369	1.2
331.20526	1.3
335.19995	2.2
337.21509	2.4
345.25809	1.3
349.21658	3.2
359.23300	1.6
359.27359	18.9
361.28769	1.9
363.22922	2.0
369.25665	3.7
377.28500	4.3
387.26749	21.3
389.28220	1.8
390.25290	1.4
391.22537	1.4
405.27859	76.4
406.28070	1.5
415.26221	5.7
419.29291	13.5
420.29700	0.9
423.28900	5.4
433.27292	100.0
434.27698	2.9
447.29068	1.4
451.27551	1.1
465.29944	28.6
466.30447	1.1
479.31436	5.5
487.18390	1.0
507.34927	1.6
525.36182	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	525.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.2
56.96557	30.9
57.03423	3.3
61.02915	6.0
69.03426	15.3
69.07040	2.4
70.06594	5.0
71.78601	2.7
72.08160	2.1
73.02917	4.5
81.03413	7.3
84.04512	4.1
84.08166	2.5
84.96027	8.3
85.02895	26.9
91.05466	8.7
95.04961	2.1
97.02895	17.1
97.03419	3.2
97.87195	2.0
98.97569	100.0
102.96958	2.7
109.02876	5.2
110.56824	2.1
110.97588	9.2
114.09138	2.4
116.98611	75.1
119.01859	4.6
119.04939	18.4
119.22197	2.4
122.03663	2.9
127.03895	8.8
128.98590	15.9
130.08641	3.9
131.00162	4.1
133.14670	1.9
134.99637	41.6
135.04463	2.2
136.06230	1.9
136.07570	2.1
137.05962	48.5
138.06337	3.1
139.03891	3.8
140.07030	3.9
143.00171	4.8
143.01828	2.3
145.01665	6.5
145.02756	3.1
145.04970	7.4
146.99646	13.1
147.03262	10.2
147.04399	32.1
148.04730	2.3
148.05975	3.0
149.01244	5.4
152.98557	2.4
153.00711	7.0
155.04755	2.6
158.99626	48.5
159.03290	3.6
161.01196	12.5
161.02878	3.6
162.99141	3.3
163.02740	6.9
163.03932	6.3
164.94571	2.0
165.00688	3.2
165.04356	8.6
167.06999	6.0
170.99651	7.8
171.03185	3.8
173.01198	3.5
175.02742	3.8
177.00693	62.3
179.07018	31.3
180.07481	2.7
183.09152	4.1
186.99098	2.7
187.02835	3.0
189.00713	10.4
189.02876	2.3
189.04269	16.5
190.04971	2.6
190.98706	2.5
191.06033	2.2
193.03816	4.8
195.01744	2.9
200.02312	3.8
200.04419	2.6
201.00687	5.8
203.03964	2.5
203.07861	3.1
205.00159	2.9
205.03772	5.1
207.05418	5.2
208.05025	2.8
215.02263	2.6
217.05487	2.4
219.01775	36.2
219.05179	2.8
223.04938	8.6
231.05437	5.4
235.02792	4.4
237.02794	58.8
241.05957	7.5
243.05247	3.0
244.96480	2.2
247.05002	2.1
249.06401	5.0
253.03697	3.3
255.03761	3.8
256.06793	3.5
261.02783	3.5
272.60370	3.1
277.03857	3.3
279.03729	3.1
285.47943	2.3
289.07513	5.5
291.07446	26.8
293.10883	3.2
295.04849	6.4
300.04242	3.3
301.04913	4.9
302.06451	2.2
309.08524	69.9
321.01563	3.3
325.10446	2.5
327.05420	2.7
330.09073	6.6
332.10098	5.3
337.07935	7.0
339.09610	3.9
351.09625	51.4
381.10263	2.7
395.12943	2.8
415.09244	6.4
421.13660	13.9
439.14639	3.0
481.15884	81.6
510.19861	2.6
525.12738	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	524.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.4
55.01856	1.1
55.05504	13.3
57.03431	13.0
57.07067	6.4
59.04975	3.9
65.03925	2.3
67.01375	1.1
67.05492	100.0
69.07061	7.5
69.56719	5.4
69.57149	6.4
71.04967	4.1
71.08609	2.8
79.05476	20.0
81.03382	6.7
81.07046	39.2
82.03747	1.5
83.08616	9.0
85.06500	3.0
85.10184	2.0
87.04446	1.1
91.05468	16.7
93.07030	26.1
95.04948	4.7
95.08596	29.3
95.18797	1.0
97.06505	1.5
97.10140	1.6
103.78890	1.2
105.07019	8.2
107.08582	14.1
109.06511	1.3
109.10139	75.8
111.08045	2.7
117.07023	2.4
119.08558	12.0
121.10133	11.5
123.11697	2.1
131.08551	4.3
133.10110	5.4
135.11664	6.5
137.09557	4.2
145.10114	3.1
147.11642	3.6
149.13210	3.3
151.71259	1.2
153.44156	1.1
155.10587	2.5
159.11597	2.9
161.13239	1.7
163.14769	1.7
173.11758	19.8
173.13219	3.3
175.14700	1.8
193.12206	1.7
227.12656	2.5
229.14316	72.5
243.21091	3.3
261.22095	10.9
267.15851	4.4
268.16290	2.7
276.82080	1.2
308.40070	1.2
313.27277	3.1
314.27634	5.3
317.24777	2.5
335.25766	76.3
489.35693	47.6
506.38834	5.0
507.37180	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	524.3704
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.61901	0.2
55.05484	0.3
56.05016	1.0
56.88377	0.2
57.03431	0.3
57.07066	3.3
58.06549	1.1
59.07383	0.2
60.08153	16.2
62.57407	0.2
67.05486	0.9
69.07050	0.7
69.47278	0.8
69.47707	1.3
70.06563	0.2
71.07359	5.5
71.08614	2.2
81.03397	0.3
81.07040	1.1
83.08620	0.5
85.10165	1.2
86.09689	47.8
95.04986	0.2
95.08571	1.1
97.10130	0.4
98.20647	0.4
98.21336	0.8
98.98447	3.5
104.10722	100.0
105.11052	0.3
109.10150	0.6
114.75853	0.2
119.08699	0.2
124.99979	28.4
146.63110	0.2
146.85855	0.2
163.01556	0.9
184.07309	94.3
185.07678	0.4
258.11038	0.9
310.28873	0.2
341.30481	1.2
506.35880	8.0
524.37030	38.8
525.37183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05495	2.4
55.99734	0.9
65.03918	1.1
67.05488	3.1
69.03419	3.3
69.07059	3.9
71.04979	2.1
71.12129	1.6
71.12476	1.5
73.02930	0.9
79.05482	2.7
81.02959	1.4
81.03385	7.4
81.03790	1.0
81.07059	2.9
83.04978	2.3
83.08594	2.3
85.02877	3.5
86.27714	1.0
90.05685	1.1
91.05466	3.7
93.07008	4.3
94.06554	2.9
95.01313	3.3
95.04951	22.1
95.08591	2.6
97.02857	7.2
97.06512	1.7
99.04446	2.2
99.73791	1.1
105.07027	5.5
105.07805	0.9
107.04951	1.0
107.08605	6.3
108.04479	3.9
108.84521	1.0
109.02869	3.4
109.06471	4.8
109.10136	4.2
110.06017	2.0
111.08082	1.4
114.09180	1.4
119.08561	3.8
121.10135	3.0
122.06010	5.0
122.76208	0.9
123.08056	3.5
123.11676	1.6
127.03886	2.2
130.08614	3.9
131.08560	3.4
133.10110	13.4
135.08049	8.6
135.11673	2.5
136.03917	100.0
137.05923	1.1
137.09616	1.2
137.61266	1.1
138.10181	1.6
140.07027	6.0
143.08530	1.6
145.02950	1.1
145.10092	1.5
147.11658	2.5
149.09662	1.0
149.13213	3.2
151.11206	2.6
153.09094	2.3
154.04962	48.1
158.10873	1.4
165.12761	1.4
165.60161	1.3
167.14250	1.8
173.13255	9.8
191.14293	15.8
209.10788	1.6
209.15321	5.2
224.09381	1.5
225.10263	2.0
235.08704	5.1
236.09438	3.4
237.10147	7.4
249.10207	12.7
250.10907	4.6
251.11786	4.7
252.12511	1.7
261.10394	0.9
263.08255	2.3
264.08948	7.8
265.09720	6.9
277.09695	10.6
278.10507	3.7
279.08405	1.7
279.11209	9.6
280.08118	12.5
282.09970	2.8
284.11493	1.8
291.07510	1.3
292.08322	5.3
293.09052	5.3
295.10779	2.1
296.11359	1.2
297.12329	4.0
298.09186	25.8
305.09137	6.4
307.10721	6.1
309.08618	2.9
314.08707	1.1
316.10196	3.9
323.10272	3.1
324.10934	2.3
325.11838	12.3
331.14386	1.1
333.08603	3.8
340.10287	1.7
351.09680	13.2
352.10471	3.4
353.11270	27.4
354.11493	2.2
355.12778	1.7
357.14624	2.1
367.12753	2.6
383.12326	29.6
383.19934	1.1
384.12979	8.3
385.13907	25.1
386.14609	1.5
390.01755	0.9
413.70270	1.0
492.17566	10.8
493.17474	1.6
506.23981	1.6
524.20166	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	524.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66707	0.6
53.15500	0.7
55.01857	1.0
57.03426	1.1
59.04990	0.8
61.02906	1.0
65.03922	3.3
65.64195	0.6
67.05496	1.2
69.03410	2.2
69.07043	2.3
69.46558	8.1
73.02917	1.1
79.05485	3.6
81.03417	1.5
81.07034	2.5
85.02889	9.0
86.09703	1.0
91.05453	4.9
93.03403	3.7
93.06978	1.2
94.04156	1.2
95.04952	1.7
95.08591	2.4
97.02881	2.1
97.06497	0.9
97.10172	0.7
103.05433	1.3
105.07014	12.0
107.04928	2.3
107.08568	1.1
109.02858	1.7
109.06508	1.4
109.10157	1.3
111.04433	11.8
119.04906	4.3
119.08550	0.7
121.10165	1.3
122.03629	3.5
123.11655	1.0
125.05972	12.2
127.03902	2.0
127.29746	0.7
128.06227	1.4
131.04897	1.0
131.08524	1.5
133.06462	13.3
135.07967	0.9
136.05179	1.0
137.05959	100.0
138.06331	0.8
143.08554	7.9
145.04941	2.3
145.06454	3.8
145.10120	1.1
147.04347	1.2
151.03896	20.5
151.04927	1.0
151.07515	34.3
153.05447	28.1
159.08009	4.0
161.09549	0.7
162.06749	2.1
163.07487	1.8
165.09091	28.4
169.57573	0.7
171.08029	10.5
172.08769	0.9
175.11086	0.8
175.36406	0.7
177.09117	3.5
178.08542	0.8
180.08702	1.1
181.08513	4.5
188.08304	8.1
189.09294	0.8
191.10651	4.6
193.12035	0.8
203.10643	34.9
221.11697	59.0
263.10681	0.8
280.10886	0.7
291.27066	0.9
295.13297	2.2
309.23999	0.7
327.15851	22.6
335.85135	0.8
344.23053	0.6
345.16916	42.9
443.28448	0.8
524.28967	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	524.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39319	1.4
70.39597	0.3
74.90567	0.3
84.08128	0.3
85.02885	1.1
94.06562	0.4
94.93014	1.9
96.08112	6.5
96.92807	0.7
97.02854	0.3
98.97558	0.4
101.00861	0.5
114.09149	18.3
115.09476	0.4
119.01922	2.0
127.03886	0.9
130.08733	0.3
131.01888	0.5
136.93947	0.2
142.03357	0.3
143.01915	1.9
145.03416	1.5
145.04851	0.3
152.26492	0.3
154.07071	0.5
155.01920	1.4
157.03426	0.6
160.09708	0.6
161.02905	2.9
165.94766	0.3
167.01907	0.8
171.04948	0.4
172.08185	2.7
173.02953	1.9
173.41005	0.3
174.09712	0.4
180.92981	0.9
182.06625	0.7
182.92845	0.5
185.02927	3.8
187.04564	0.4
192.05534	0.3
196.08168	9.7
197.02936	1.3
198.06030	0.3
200.07652	16.5
201.07753	0.5
203.03981	1.1
208.08167	1.8
214.09195	3.1
215.03967	0.6
216.05397	0.6
218.08711	7.4
223.09076	0.3
224.07683	0.8
226.09117	0.9
227.03957	0.8
238.09206	0.8
242.08696	100.0
243.08896	3.8
245.05040	8.7
250.09209	0.7
254.06067	0.6
254.08722	8.3
256.10211	0.5
257.05203	0.4
260.09720	1.3
263.06171	0.8
264.07590	0.8
266.08563	1.7
272.09753	5.3
273.08105	1.9
275.06079	0.6
278.08755	2.7
284.09781	0.9
286.11267	0.3
293.07053	0.3
296.09705	1.1
302.10818	9.1
303.11166	0.4
305.07022	0.9
308.09732	0.9
314.10938	0.9
326.10785	1.6
335.08124	0.4
344.11841	3.6
344.15582	0.4
349.05511	0.3
362.12985	1.3
365.09286	1.6
404.13940	0.9
450.86856	0.3
524.17938	3.5
525.11658	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20499	0.5
53.03926	1.5
55.01856	1.3
55.05502	10.9
57.03429	5.0
57.07067	29.1
57.23831	0.5
57.27029	0.4
59.04982	0.6
64.09264	0.5
65.03915	1.0
67.05135	0.8
67.05495	20.7
69.03413	2.0
69.07053	8.4
69.55544	1.7
69.55972	3.5
71.04969	3.0
71.08620	20.8
79.05479	10.8
81.03406	29.2
81.07043	24.4
81.07535	1.1
83.04972	5.9
83.08604	17.1
85.02892	13.6
85.06541	0.7
85.10165	10.3
88.04352	0.4
89.06048	0.7
91.05467	14.3
93.07030	8.7
95.04948	11.3
95.08591	21.6
97.02879	1.0
97.06510	2.0
97.10146	5.5
99.08083	1.0
105.07010	8.6
107.04937	2.7
107.08581	3.0
109.06510	1.7
109.10135	10.6
111.04425	1.9
111.08061	4.9
111.11681	1.0
113.06008	1.6
116.07079	1.1
117.07002	0.8
119.08566	8.7
121.06473	0.7
121.10133	4.0
123.08044	1.2
123.11679	3.4
125.09667	0.6
129.06989	4.1
131.08571	4.0
133.06497	1.1
133.10101	3.0
137.09598	0.6
137.13245	2.1
139.14806	0.6
142.07730	1.2
147.08037	1.9
147.11656	6.8
149.09616	2.3
157.10098	6.0
163.11107	0.5
165.12733	1.9
175.11169	7.5
193.12213	27.7
194.12521	0.7
203.41568	0.5
211.13258	30.7
212.45934	0.5
221.22650	0.6
239.23601	4.3
249.14665	0.6
267.15903	6.0
286.69778	0.6
313.27353	4.9
505.38803	3.9
523.39862	100.0
524.40002	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84015	0.5
53.03937	2.1
55.01863	1.0
55.05503	12.1
57.03431	5.9
57.07069	30.9
59.04996	0.7
65.03918	0.7
67.05495	21.5
69.03416	1.9
69.07058	8.7
71.01337	0.8
71.04984	3.3
71.08620	22.9
74.09669	0.8
79.05480	12.8
81.03407	32.9
81.07043	24.5
83.04977	5.0
83.08610	19.2
83.08975	0.4
85.02893	14.2
85.06532	1.6
85.10170	12.0
86.09689	0.6
91.05466	15.6
91.40372	0.5
93.07031	8.2
95.04485	0.3
95.04953	13.8
95.08589	22.8
97.02892	1.5
97.06519	1.6
97.10141	5.5
99.08070	1.4
103.85719	0.5
105.07012	12.5
107.04935	2.9
107.08598	3.8
109.06474	2.8
109.10146	10.4
111.04422	1.2
111.08069	5.4
111.11718	0.6
113.05979	1.4
115.05469	0.7
117.07047	0.8
119.08569	10.0
121.06482	0.6
121.10135	6.0
123.08089	1.1
123.11689	4.2
125.09635	1.3
125.13311	0.9
129.06970	4.5
131.08545	6.4
133.06485	1.4
133.10095	5.1
137.13232	1.3
142.07750	1.2
147.08041	1.5
147.11670	8.1
149.09607	4.7
151.14781	0.5
157.10088	6.8
165.12740	1.8
175.11145	9.2
184.07330	3.1
188.41537	0.6
193.12215	31.9
194.12396	0.5
211.13257	32.4
216.57610	0.6
229.14294	1.1
229.88870	0.6
239.23627	5.6
249.14983	0.9
267.15857	14.3
313.27325	15.7
389.36700	0.5
496.37585	0.9
505.39041	8.5
516.25195	0.6
523.39862	100.0
524.40302	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30347	0.9
52.86158	0.9
53.03944	2.2
55.01863	1.7
55.05502	14.1
57.03423	6.2
57.06786	1.8
57.07065	35.5
63.67881	0.9
67.05498	27.7
69.03433	1.5
69.07056	11.9
71.04984	3.4
71.08622	25.3
74.09715	0.9
77.42892	1.1
78.33917	0.9
79.05486	14.0
81.02928	1.6
81.03406	34.1
81.07044	30.4
83.04980	7.2
83.08610	20.2
83.09072	1.7
85.02898	14.7
85.10173	12.0
87.53007	0.9
91.05463	18.9
92.16133	0.9
93.07028	11.9
95.04954	15.4
95.08592	28.1
95.09190	2.0
97.02879	2.6
97.06516	2.3
97.10147	6.3
98.56567	0.9
105.07008	14.3
107.04954	3.7
107.08558	6.5
109.06501	3.1
109.10136	14.8
109.58894	1.0
111.04425	1.4
111.08067	4.1
112.30511	1.0
113.05990	1.7
116.06334	1.0
117.06950	0.9
119.04944	1.2
119.08568	10.9
121.10140	6.5
122.99485	1.1
123.08041	1.6
123.11681	5.2
129.06987	4.9
131.08528	7.1
133.10115	5.4
135.08147	1.5
135.11681	1.4
137.13251	1.8
142.07726	1.1
145.10075	1.0
147.08073	1.4
147.11652	8.3
149.09613	3.9
151.14809	1.1
157.10124	7.3
173.11745	1.0
175.11160	7.9
179.14340	1.0
193.12218	30.9
195.11714	1.0
211.13266	36.9
212.00674	0.9
221.22537	1.1
229.14389	1.2
237.68271	1.1
239.23689	6.3
267.15866	9.8
313.27310	19.2
331.28397	1.4
445.27240	1.2
463.28503	1.2
505.39325	7.9
523.31378	3.8
523.39886	100.0
524.40411	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41727	0.7
52.18556	0.6
53.03912	3.2
55.01827	2.3
55.05499	13.4
57.03431	17.7
57.07066	44.3
65.03928	1.2
67.05494	23.9
69.03391	2.4
69.07059	11.2
71.04964	2.8
71.08621	29.8
79.05485	14.5
81.03403	86.3
81.07040	27.0
83.04967	7.1
83.08606	29.3
85.02894	8.3
85.06491	2.3
85.10162	15.9
87.36352	0.7
89.06016	1.5
91.05471	20.0
92.86431	0.7
93.07030	10.0
95.04403	1.5
95.04954	22.6
95.08012	1.4
95.08590	25.7
97.02867	1.9
97.06486	1.5
97.10142	8.5
99.11674	0.8
99.83271	0.7
101.06017	0.9
103.05479	0.8
103.07582	0.7
105.07010	14.1
107.04939	5.6
107.08601	4.2
109.06462	3.3
109.10142	8.9
111.04401	1.8
111.07375	0.9
111.08060	7.5
111.11699	1.2
113.05970	1.3
115.05407	2.0
119.07826	1.1
119.08566	11.9
120.09000	0.7
121.06477	2.1
121.10101	6.2
123.08031	1.7
123.11665	6.4
129.06969	8.2
131.08534	7.9
133.06450	3.2
133.10118	4.4
137.09555	1.1
137.13200	2.3
142.07735	2.9
142.81306	0.8
145.10118	1.3
147.07996	2.7
147.11661	7.9
149.09613	4.9
151.14774	1.1
157.10120	9.1
163.11140	1.0
165.12717	1.6
175.11171	11.2
181.95560	0.8
193.12216	47.5
205.12109	1.2
211.13264	21.0
221.22523	0.8
231.13705	0.8
239.23691	7.8
249.14894	4.6
257.24725	1.1
267.15872	100.0
268.16241	1.3
310.99576	0.9
313.27310	96.6
314.27707	1.3
319.95923	0.9
334.99155	0.9
440.48563	0.9
446.59186	1.0
494.91461	0.8
505.38815	57.6
506.39072	1.7
523.39856	54.3
524.40344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.01853	2.3
55.05499	11.6
57.03193	1.7
57.03427	19.4
57.07067	39.7
65.90595	1.1
67.05177	2.2
67.05497	25.2
69.03413	2.9
69.07056	10.9
69.68232	11.7
71.04990	1.4
71.08623	24.7
72.66477	1.3
76.13020	1.3
79.05479	11.4
81.03404	85.9
81.07039	24.1
82.10706	1.2
83.04948	5.1
83.08608	28.0
85.02859	2.1
85.10168	17.3
89.05997	2.9
91.05462	16.4
93.07031	9.2
95.04953	26.0
95.08594	23.4
97.02855	2.0
97.06499	2.1
97.10174	6.3
99.90573	1.2
103.93871	1.4
105.07024	12.5
107.04922	5.7
107.08556	4.3
109.06483	4.6
109.10136	9.7
111.04408	2.0
111.08054	6.7
113.05956	1.5
115.05379	1.6
119.08562	11.6
121.06400	1.8
121.10133	6.1
123.11628	3.1
125.09613	2.0
129.07001	8.9
131.08565	7.5
133.06459	2.7
133.10091	4.0
137.13271	1.7
147.07974	2.3
147.11676	8.1
149.09589	3.5
157.10124	8.4
175.11176	9.0
175.79694	1.3
193.12207	34.2
211.13252	4.3
220.36050	1.3
230.44557	1.4
239.23640	5.2
249.14716	2.9
257.24567	1.9
267.15884	100.0
278.99588	1.6
297.78836	1.3
313.27316	95.4
348.87354	1.5
505.38843	66.1
506.38583	1.5
523.39764	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91069	1.6
51.10163	1.4
53.03938	4.5
53.76482	1.4
55.05502	10.1
57.03433	18.1
57.07069	44.6
67.05496	21.3
69.03411	3.5
69.07067	11.3
69.55753	2.7
69.56155	15.3
71.04999	1.7
71.08237	2.6
71.08620	31.3
79.05490	10.7
81.03407	93.3
81.07040	24.3
82.03714	1.8
83.04972	5.4
83.08611	27.5
85.06544	2.2
85.10164	16.6
89.06021	3.7
91.05463	17.0
93.07051	7.8
95.04958	25.7
95.08593	23.5
97.02905	1.9
97.10163	8.7
103.07541	1.8
105.07034	11.3
107.04934	6.4
107.08560	5.3
109.06509	3.3
109.10149	11.4
111.04430	2.3
111.08063	5.5
115.05431	1.6
117.06995	2.3
119.08568	13.1
121.10131	5.9
123.04462	2.4
123.08071	2.8
123.11684	4.1
129.06982	8.1
130.20255	1.5
131.08536	7.6
133.06454	3.0
133.10110	3.5
135.98122	1.5
142.07767	3.9
147.08084	2.7
147.11676	7.6
149.09627	5.2
157.10127	7.4
175.11160	5.1
189.94971	1.8
193.12218	40.2
211.13268	4.3
239.23700	5.5
249.14908	4.7
257.24704	3.0
264.57727	2.2
267.15875	100.0
268.16180	2.6
294.48990	1.8
313.27319	97.2
316.15469	1.8
505.38879	69.8
506.39056	2.4
523.39990	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96123	1.6
53.03929	2.1
55.05506	12.5
57.03439	19.7
57.07068	47.7
60.08169	10.6
67.05498	22.9
69.07049	13.0
71.07357	4.9
71.08623	28.8
71.48534	2.7
71.48846	2.2
79.05490	13.5
81.03406	90.5
81.07050	24.7
83.04971	5.0
83.08607	23.4
85.10172	17.4
86.09697	31.9
91.05478	16.9
93.07027	8.0
93.76585	1.6
95.04955	21.5
95.08591	22.7
97.06486	1.8
97.10129	2.5
98.98451	2.6
104.10729	57.6
105.07021	12.4
107.04943	6.3
107.08579	5.0
109.06522	2.4
109.10146	10.9
111.08042	7.3
119.08575	10.2
121.10133	5.4
123.11706	3.6
124.99988	20.0
126.76284	1.7
129.06996	8.4
131.08583	6.7
133.10130	3.4
145.10072	2.1
147.07993	4.1
147.11650	6.7
149.09642	3.5
157.10097	7.8
175.11182	7.0
184.07324	57.7
184.08871	3.7
193.12206	37.2
211.13242	3.4
225.49577	1.8
229.14268	2.3
239.23659	6.0
249.14851	3.8
267.15878	96.3
272.01038	2.1
277.21542	1.9
303.00925	2.3
313.27316	100.0
341.30304	3.0
353.69620	2.1
505.38876	67.2
506.36011	5.6
523.39789	6.2
524.37140	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03280	1.7
53.03937	3.8
55.01862	3.7
55.05502	14.4
56.05012	1.9
56.19839	1.7
57.03434	19.2
57.07069	47.2
58.99054	1.6
59.02585	1.7
60.08157	10.2
65.03955	2.0
67.05497	32.7
69.03432	2.0
69.07056	10.2
71.04977	3.0
71.07348	4.7
71.08616	27.6
71.24360	5.1
79.05476	13.3
81.03407	85.1
81.07047	28.6
83.04961	6.1
83.08167	1.8
83.08612	22.4
85.09740	1.5
85.10178	12.8
86.09692	37.2
89.90218	1.8
91.05469	19.4
92.52547	1.6
93.07024	12.4
93.64523	2.1
95.04952	20.8
95.08594	24.0
97.06522	3.2
97.10147	6.8
99.08100	2.5
104.10729	73.5
104.11441	3.5
104.94447	1.6
105.07008	15.6
107.04912	7.8
107.08563	6.1
109.10148	18.7
111.04374	1.9
111.08056	9.6
119.08578	14.7
121.06506	3.1
121.10117	6.1
123.11685	3.5
124.99979	18.9
129.06967	5.9
131.08563	9.4
133.06461	2.3
133.10078	4.2
135.11635	2.9
137.09586	2.7
147.08061	2.8
147.11688	4.8
149.09587	4.2
157.10080	8.8
173.11719	3.0
175.11124	7.4
179.14323	11.0
181.44637	1.7
184.07315	64.8
193.12215	37.5
211.13182	2.3
223.68546	1.9
229.14340	5.9
238.09677	1.7
239.23650	6.1
249.14874	2.5
253.24657	1.9
257.24796	3.1
260.46204	1.8
267.15869	100.0
277.21503	5.6
305.84772	1.6
313.27325	93.4
314.27783	1.9
317.02219	2.1
341.30420	1.7
505.39188	60.1
506.36066	4.3
523.39417	7.7
524.37030	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01861	2.2
55.05506	12.0
57.07068	4.8
58.06591	5.2
60.08136	4.0
61.02971	1.9
67.05504	18.2
69.03418	6.1
69.07063	48.5
70.06580	2.1
71.04977	4.9
71.79974	2.0
72.08142	6.3
76.17507	1.7
79.05487	13.7
81.03413	3.5
81.07044	84.4
83.04960	2.5
83.08597	9.7
85.02895	8.0
85.06525	5.6
86.09713	3.3
91.05471	9.7
91.46207	1.9
93.07036	39.0
93.62492	2.3
95.04953	8.2
95.08590	38.8
97.02891	3.8
97.06520	10.1
97.10140	4.8
99.04472	3.9
99.08072	3.6
100.11224	3.3
101.06025	5.4
103.05470	2.3
105.07018	16.4
107.04912	3.5
107.08583	34.1
109.02866	3.9
109.06522	8.1
109.10155	30.3
110.08704	1.7
111.08074	24.1
111.11704	13.0
114.12782	40.2
115.05430	1.9
115.13149	16.4
119.08573	8.4
121.06474	2.2
121.10136	22.1
123.08093	3.5
123.11698	23.1
125.09637	4.9
127.03885	4.2
130.08662	9.5
131.04968	3.5
131.08662	3.0
133.10126	18.5
135.11700	10.3
137.05986	11.8
137.09671	2.2
137.13229	7.6
139.11145	12.1
142.21419	2.0
145.10110	6.9
147.11685	8.6
149.06021	2.2
149.09518	2.3
149.13229	7.0
151.07567	3.7
151.11156	26.4
151.14801	3.3
153.12737	3.4
157.10066	2.0
159.11656	3.0
161.13275	6.1
163.03841	2.6
163.07579	4.7
163.11133	2.4
163.14804	5.4
165.12759	4.7
167.07025	3.0
169.12236	3.8
173.13252	3.8
175.07521	2.3
175.14825	5.7
177.05429	4.1
177.09090	3.5
177.16428	4.6
181.12204	2.9
189.16350	2.8
191.17900	2.3
203.17889	3.3
207.06403	2.3
215.17888	3.6
231.21088	2.6
259.24158	2.1
260.95529	1.9
271.24185	6.6
277.25275	10.7
289.25229	45.2
295.26218	4.6
307.26279	100.0
308.26556	3.6
325.27356	11.6
343.28278	2.9
471.18738	2.4
523.36554	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.0
57.07064	6.2
58.06596	4.3
61.31453	2.8
65.28843	2.7
67.05499	22.0
69.03423	6.8
69.07063	60.2
70.33256	16.1
71.04980	4.8
72.08138	7.6
77.64278	2.6
79.05466	10.6
81.07044	82.5
82.07409	3.0
83.04964	5.3
83.08597	14.1
85.02874	7.2
85.06519	7.4
91.05468	12.1
93.07027	33.4
95.04957	8.2
95.08595	51.5
97.06491	7.3
97.10105	3.4
98.21333	4.5
101.06028	3.6
105.07025	29.4
107.08573	34.5
109.06484	5.6
109.10143	41.3
111.08070	4.3
111.11705	14.0
114.12791	67.2
115.13121	28.6
117.06975	4.3
119.08568	21.7
121.06454	3.1
121.10136	42.4
123.08051	7.4
123.11687	65.6
127.03888	3.8
130.08620	5.0
133.10107	9.1
135.11662	17.6
137.05942	13.7
137.09627	4.0
137.13219	11.9
139.11156	12.5
145.10092	3.9
147.11655	19.7
149.05820	4.6
149.13237	12.4
151.11166	9.6
151.14893	3.0
153.12773	7.2
159.11699	6.6
161.13278	6.7
163.03845	3.7
163.07513	7.7
163.14743	5.6
165.12743	29.3
167.14339	6.2
169.12224	14.3
175.14801	7.5
177.09079	3.8
177.16306	4.4
179.14441	3.0
181.08505	3.3
183.13879	3.9
184.21286	3.1
189.16354	7.5
201.16341	4.0
207.06512	7.7
215.17883	4.3
245.22626	11.3
249.22113	3.7
271.24161	13.4
277.25220	13.3
289.25201	69.8
307.26303	100.0
313.20096	2.9
321.06125	3.0
325.27341	3.9
346.73862	3.9
401.78571	3.2
523.31738	7.1
546.24066	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.05495	15.9
57.07048	6.8
58.98981	2.6
63.11098	3.1
67.05485	25.2
69.03416	4.2
69.07052	20.3
70.06550	4.0
71.04971	5.8
71.79986	3.2
79.05471	22.0
81.03378	4.2
81.07039	37.2
83.04964	3.3
83.08607	21.2
85.02911	5.5
85.06544	4.3
87.69962	3.1
89.64648	3.2
91.05460	22.4
93.07024	50.8
95.04952	6.5
95.08581	59.9
97.02879	5.2
97.06506	6.0
97.10148	8.5
99.08076	29.7
105.07011	85.1
107.08575	82.8
109.02799	4.1
109.06494	6.8
109.10142	48.3
111.08076	6.6
117.07008	6.5
117.32950	3.0
119.07733	5.5
119.08568	100.0
121.06450	4.9
121.10126	63.8
123.08054	9.7
123.11690	27.0
125.09605	5.9
129.06950	7.6
130.08646	15.1
131.04935	3.5
131.08542	63.6
132.05341	3.2
133.06502	8.0
133.09171	3.6
133.10110	52.8
135.08022	7.3
135.11673	40.8
137.05980	4.4
137.09573	5.0
137.13217	10.1
142.07788	3.6
143.08562	21.5
144.09357	4.6
145.10101	59.9
147.11649	71.5
149.09593	9.6
149.13271	19.7
151.11142	6.9
151.14824	4.2
153.12682	5.9
156.09189	3.1
157.10081	21.1
159.11671	45.7
161.09613	4.0
161.13222	28.5
163.11133	13.4
163.14825	21.2
165.12744	4.5
169.10091	5.3
170.10857	3.7
171.11670	20.5
173.13228	47.7
175.14796	33.7
177.12746	10.3
177.16376	18.8
179.14333	7.6
181.49026	3.4
183.11635	10.1
185.13223	27.2
187.14783	96.1
189.16336	30.2
191.17929	13.3
195.11633	3.5
197.13173	8.2
199.14812	32.4
201.12640	4.6
201.16344	94.9
203.14299	10.8
203.17900	6.7
205.15851	55.8
207.17406	13.1
211.14801	10.6
213.16382	18.7
215.14297	6.5
215.17937	26.4
217.15825	12.5
219.17397	34.3
221.15350	6.4
223.14778	5.8
223.16878	64.8
225.16339	6.1
227.17950	13.0
229.15942	4.0
231.17378	7.5
233.18962	4.1
237.16272	5.9
237.18456	7.9
239.17819	4.9
241.19342	5.0
245.18977	4.1
247.16888	6.3
251.16315	4.5
255.21008	4.6
261.18414	21.3
263.16245	4.0
279.21103	6.0
281.22504	3.6
282.90042	3.8
324.92621	3.3
369.27774	3.6
387.30508	4.0
389.32025	6.1
391.16705	3.5
395.24139	3.2
395.29282	11.4
397.31299	3.3
405.31448	30.6
407.32977	33.5
423.32822	45.7
425.34097	43.2
429.29956	8.9
441.34009	61.7
443.35034	16.3
451.32385	15.4
459.30832	38.2
459.35333	17.5
469.28040	4.4
469.33124	10.1
487.29932	12.6
487.34433	10.3
522.33685	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	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
56.05017	0.3
57.03443	0.1
57.07052	0.2
58.06614	0.5
59.07374	0.1
59.68047	0.1
59.98911	0.1
60.08155	5.6
67.05487	0.3
67.88303	0.1
69.07052	0.4
70.06562	0.1
71.07357	2.2
71.11434	0.3
79.05476	0.1
81.07046	0.4
83.08591	0.3
86.09692	29.1
87.10035	0.1
93.07020	0.2
95.08571	0.3
97.10152	0.2
98.98448	2.4
104.10727	2.9
107.08589	0.2
109.10159	0.1
112.11221	0.4
123.77316	0.1
124.99983	19.4
126.00326	0.1
129.07018	0.1
130.12233	0.8
143.00996	0.3
184.07315	100.0
185.07623	0.4
210.08873	1.1
252.79640	0.1
256.60724	0.1
258.11118	0.2
339.28891	0.2
504.34421	1.3
522.35461	4.5
544.48767	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3548
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.00964	0.4
54.76012	0.3
55.05499	1.9
56.05033	0.9
57.07055	0.6
58.06602	1.2
60.08157	16.8
60.74529	0.4
65.03899	0.5
67.05486	0.9
68.38225	0.4
69.07053	1.7
71.07365	6.4
79.05483	0.9
81.07037	1.3
83.08610	1.1
86.09695	51.3
93.07017	0.9
95.08592	1.6
97.10158	1.0
98.21478	0.9
98.98444	4.0
104.10729	100.0
105.11077	0.4
107.08620	0.5
121.10150	0.6
122.70486	0.4
124.99989	26.8
142.60767	0.4
149.13274	0.5
163.01501	0.8
184.07323	98.1
185.07668	0.6
230.04111	0.5
258.11050	1.1
339.28806	1.4
340.75464	0.4
383.78778	0.4
445.26901	0.5
473.66910	0.5
502.77509	0.4
504.26901	0.5
504.34338	8.7
522.35486	39.1
523.35699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03936	2.2
55.01862	2.6
55.05502	4.8
57.03426	9.4
57.07069	1.1
59.04988	0.9
61.02914	6.8
65.03928	2.4
67.05480	5.2
69.03419	14.1
69.07061	6.1
70.06565	3.3
70.23145	4.5
71.01339	13.3
71.04974	2.9
72.08134	2.1
73.02901	19.0
75.04467	1.0
77.26536	0.9
79.05480	4.1
81.03393	10.1
81.07050	8.1
83.04964	4.5
83.08601	2.9
84.08131	1.4
85.02887	42.3
85.06508	5.7
86.09681	1.4
87.04442	3.3
91.03931	2.0
91.05463	29.9
92.05803	1.1
93.07030	6.7
95.04943	8.3
95.08582	10.4
97.02876	10.7
97.06507	3.9
98.21373	1.4
99.04423	4.9
100.11198	1.1
103.03928	2.7
103.05444	5.7
104.05765	1.4
105.07005	15.8
107.04945	2.4
107.08572	11.4
109.02849	6.3
109.06512	6.8
109.10139	8.5
111.04430	5.1
111.08074	2.3
112.07560	1.2
113.05990	2.5
114.09141	2.1
115.03911	7.7
115.05427	1.2
117.07004	5.3
119.04917	34.8
119.08553	27.6
120.05260	2.1
120.08090	1.7
121.06470	4.6
121.10117	18.1
122.06007	6.7
123.04408	3.9
123.08042	4.5
123.11661	3.4
124.03915	1.8
125.05962	3.6
127.03884	5.4
127.07537	1.4
128.06163	1.7
129.05458	1.7
129.06955	2.1
130.08623	20.1
131.04919	6.6
131.08533	8.7
132.02040	1.2
132.05232	2.8
133.04936	6.8
133.06448	3.3
133.10100	31.3
135.04332	2.2
135.08008	3.5
135.11647	4.2
136.07553	6.7
137.05949	46.3
137.09563	3.6
139.07477	1.0
139.11226	0.9
142.07744	2.8
143.07004	2.7
143.08553	4.7
144.09311	1.7
145.02846	2.6
145.04961	2.1
145.06447	1.3
145.10094	18.0
147.04391	25.7
147.06494	10.3
147.07965	2.7
147.11650	19.4
149.05939	2.6
149.09581	3.3
149.13274	1.8
151.03870	1.3
151.07527	3.6
152.07057	1.4
154.05016	5.0
154.06075	1.0
154.08597	23.7
155.08592	2.4
156.09329	1.6
157.03922	1.8
157.06517	1.2
157.10069	8.8
158.10928	2.1
159.08049	3.1
159.11641	11.4
161.06042	4.8
161.09601	4.2
161.13228	3.7
163.03891	4.4
163.07498	4.2
164.04320	1.0
165.09196	1.4
165.12753	3.4
167.06987	3.5
167.08414	2.1
167.10617	1.8
169.08771	1.3
169.10110	4.3
170.10864	1.9
171.08038	1.3
171.11670	6.6
173.08215	1.2
173.09570	5.4
173.13232	24.3
175.03877	44.4
175.07555	2.7
175.11180	3.2
175.14792	59.0
176.04236	2.0
177.05452	3.1
177.09094	1.2
177.12675	1.0
177.16383	1.9
179.06975	3.4
181.06404	1.1
181.10103	2.0
182.10768	1.4
183.11624	1.8
184.06087	1.3
185.09612	2.2
185.13203	9.1
187.07498	1.6
187.09660	1.1
187.11174	5.5
187.14795	20.0
189.09088	2.3
189.16338	4.8
191.06972	1.6
191.14278	3.8
193.15840	16.8
194.10794	1.1
195.10088	1.3
195.11696	1.5
197.09592	2.1
197.13164	2.9
199.10965	1.5
199.14787	8.7
201.12723	2.0
201.16310	1.2
203.06958	3.6
203.10551	1.2
205.12149	1.1
205.15787	1.3
206.04510	1.2
207.06488	100.0
208.06879	5.1
209.13243	2.4
211.14774	4.8
213.07570	1.7
213.12694	1.5
215.10568	2.7
215.14297	2.7
217.15829	7.7
221.08037	2.2
223.14911	1.8
225.16402	3.4
227.12563	2.4
229.15814	4.8
231.13742	1.0
233.11667	2.4
235.14772	1.5
235.16908	2.9
241.15785	4.0
243.17244	1.3
244.09605	1.3
247.16982	2.1
251.12613	1.2
253.08618	1.2
253.15851	7.0
254.10986	1.0
259.16837	6.5
265.08456	1.4
269.13712	1.0
271.16867	24.2
285.13626	3.3
285.63715	1.4
289.17911	37.6
297.11169	1.8
307.18979	58.3
308.19327	1.4
315.12106	2.5
316.13962	1.9
325.20105	12.0
343.11789	2.2
351.10638	4.9
360.13785	1.5
369.11798	4.2
415.89029	1.2
433.22430	1.5
451.23138	2.2
469.24152	1.3
504.18112	1.2
505.17960	1.4
509.13217	1.1
522.19458	7.4
523.20117	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	522.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31224	1.7
53.03932	2.2
55.01868	3.9
55.05509	4.7
57.03429	22.8
57.07059	1.7
59.04988	2.0
61.02920	9.5
64.04642	1.7
65.34808	1.6
67.05487	5.0
69.03418	17.7
69.07053	10.6
70.06579	4.0
70.84919	4.3
71.01337	9.0
71.04984	3.5
72.03276	1.4
72.08141	2.4
73.02908	38.2
79.05488	5.5
81.03403	7.4
81.07043	10.6
81.88739	1.7
83.04980	6.5
83.08606	4.3
84.08139	2.3
85.02894	59.0
85.06549	4.2
86.09689	2.0
87.04451	6.3
89.03880	1.5
91.03957	2.1
91.05470	15.4
93.07034	11.1
95.04961	8.5
95.08583	16.1
97.02882	17.9
97.06523	4.8
99.04446	6.8
100.11288	2.0
103.03976	8.1
103.05448	23.1
103.70360	1.7
104.05807	6.3
105.07023	23.3
107.04955	3.3
107.08583	24.4
109.02870	3.9
109.06514	6.8
109.10134	11.3
111.04449	6.6
111.08076	2.2
113.06024	2.2
114.09174	6.1
115.03896	12.9
117.05425	2.2
117.07027	4.4
119.04939	12.8
119.08569	37.9
120.08090	6.4
121.06474	5.5
121.10135	27.1
123.08071	5.7
123.11695	7.6
125.05983	5.9
127.03928	5.0
129.05450	7.6
129.07028	3.0
130.08632	10.0
131.04915	34.5
131.08551	9.4
132.05235	18.9
133.04959	8.8
133.06482	5.5
133.10110	49.3
135.04420	3.1
135.08041	5.3
135.11676	8.8
136.03899	2.1
136.07437	1.5
137.05965	13.3
137.09573	4.2
138.06313	4.3
139.07536	2.3
139.11308	1.7
143.07057	2.6
143.08556	5.9
145.02811	5.7
145.04909	3.5
145.06485	1.6
145.10103	23.1
146.06009	2.0
147.04410	13.3
147.06506	19.3
147.07980	4.8
147.11662	34.3
148.04739	1.7
148.90182	1.5
149.04514	2.1
149.05888	2.2
149.09602	5.7
149.13205	3.9
151.07568	3.7
154.04953	3.3
155.08545	3.9
157.10123	7.7
158.10945	2.6
159.08076	1.8
159.11688	14.2
161.05980	3.7
161.08047	2.6
161.09636	3.9
161.13254	5.1
162.06351	2.1
163.03902	11.1
163.07533	14.7
163.11125	1.9
164.04213	4.7
164.07884	8.6
165.06721	1.8
165.12679	7.7
167.10635	1.7
169.08688	2.0
169.10124	4.4
170.10922	2.5
171.08055	2.0
171.11632	7.9
173.09567	4.3
173.13235	32.2
175.03848	17.0
175.07510	2.6
175.11238	2.5
175.14795	80.9
176.15111	1.9
177.05450	6.7
177.09142	2.4
177.12778	2.6
177.16367	4.4
185.08080	2.2
185.13231	12.0
187.09625	2.4
187.11183	6.7
187.14783	25.1
189.16386	9.9
190.09514	1.9
191.14261	5.0
193.15862	20.9
196.12344	2.0
197.09561	2.3
197.13242	5.7
199.11131	2.0
199.14793	10.6
201.12762	1.9
201.16350	2.9
203.14305	2.6
205.15883	3.7
207.06511	47.9
209.13371	3.0
211.14833	8.0
215.10774	2.4
215.14334	4.6
217.15894	10.5
225.16316	4.0
227.12730	5.1
229.15837	7.7
233.11624	3.6
235.16936	6.7
241.15952	3.4
247.16994	3.4
253.15869	7.0
259.16901	10.4
269.13901	3.9
271.16891	32.6
277.17993	3.0
280.10559	2.8
289.17944	49.3
290.18323	2.9
307.18997	100.0
309.71701	1.9
312.12976	4.0
313.11865	5.8
325.20074	29.1
331.06662	2.0
342.14188	2.3
362.08554	2.3
363.08997	4.1
369.11682	4.8
373.14066	3.3
401.13065	1.9
424.18839	3.9
451.23273	5.3
469.24335	4.0
473.15833	4.0
487.25638	1.7
491.16870	1.7
505.18018	10.2
522.17828	2.7
522.30634	1.8
523.18701	11.5
544.05579	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	522.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05493	0.7
56.34174	0.5
67.05444	0.5
69.03423	2.7
70.06584	0.6
71.04993	0.9
71.48383	1.0
71.48717	0.6
74.06074	0.7
79.05482	0.8
80.04989	1.4
81.03410	5.8
81.07050	1.6
83.04999	0.6
83.76653	0.5
84.08141	0.4
85.02896	5.6
86.09712	0.6
91.05467	1.9
93.07021	0.8
93.64919	0.5
95.01317	2.1
97.02879	4.9
99.04453	1.1
105.07020	4.1
107.04949	0.5
107.08604	1.2
108.04482	2.4
109.02862	3.2
109.06509	1.0
110.06024	0.9
112.07558	0.6
114.12766	0.5
117.07004	1.0
119.08568	5.4
121.10133	1.9
123.08066	0.7
123.11691	2.6
126.05497	1.0
127.03890	2.5
128.06262	0.5
130.08617	5.2
131.08551	1.7
133.06450	1.1
133.10089	1.2
136.03923	100.0
137.04233	0.6
137.05971	0.9
141.06990	0.7
143.08557	0.8
145.10097	3.8
147.08022	0.9
147.11659	7.4
149.09615	0.9
154.04970	48.9
156.09320	1.9
159.08070	1.0
163.03922	1.7
171.11690	1.0
173.09567	0.8
173.13287	0.6
174.10376	0.8
183.43201	0.5
189.12715	14.5
207.13727	3.9
262.07166	0.6
280.08121	10.4
298.09189	32.4
316.10251	14.8
504.22296	5.8
522.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12677	1.4
52.36861	1.0
53.03928	4.2
55.01863	2.6
55.05505	25.1
57.03187	1.6
57.03433	17.8
57.07069	10.8
67.05495	14.4
69.03423	1.5
69.07059	25.8
69.50201	1.1
71.04985	1.1
71.08619	8.4
79.05484	13.8
81.03406	76.3
81.07043	18.9
83.04987	5.3
83.08606	34.9
85.06512	1.5
85.10165	3.4
91.05462	16.5
93.07033	12.6
95.04951	19.8
95.08602	9.4
97.02892	3.8
97.06519	2.6
97.10157	15.5
105.07018	13.6
107.04949	4.5
107.08580	7.9
109.06494	2.9
109.10145	2.8
111.04440	1.6
111.08060	8.1
111.11711	3.9
117.06998	2.5
119.08581	13.0
121.06471	2.7
121.10123	6.9
123.04411	1.4
123.08107	1.4
123.11699	1.4
125.09631	1.3
129.06987	7.3
131.08543	7.2
133.06476	2.5
133.10126	3.8
135.11662	3.2
137.09639	1.9
137.13274	1.0
138.61589	1.0
142.07794	1.9
145.10117	3.6
147.08055	2.9
147.11653	5.9
149.09616	4.1
152.45300	1.1
157.10156	7.8
163.11176	3.3
171.11540	1.2
175.11160	8.7
181.12299	1.6
193.12219	37.8
201.12831	1.4
209.11639	1.2
211.13284	2.2
227.12761	1.6
246.32314	1.1
249.14879	3.4
267.15875	100.0
311.25766	57.9
319.68390	1.2
418.86343	1.1
429.33606	3.1
459.73911	1.1
503.30127	1.9
503.37225	29.4
521.36322	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	521.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82278	0.5
58.98324	0.5
65.65262	0.5
71.39925	1.2
115.05444	1.2
117.05774	0.7
117.06990	1.0
118.06528	17.0
130.06496	1.5
132.08052	5.2
137.83130	0.5
142.06496	1.5
143.07283	2.6
144.04388	0.6
144.08075	11.5
146.05989	61.1
159.09172	5.9
160.07550	1.5
170.06003	3.8
182.28853	0.6
188.07047	100.0
189.07375	1.7
205.09706	49.2
206.10120	0.8
394.56290	0.6
404.57532	0.6
464.87567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
54.41620	0.4
55.01859	0.8
57.03421	0.8
61.02918	0.9
61.82250	0.4
65.03934	0.7
69.03416	2.6
70.06562	0.6
70.12096	2.8
73.02888	0.7
76.25317	0.4
77.03929	0.6
78.10686	0.5
79.05478	1.0
81.03387	1.1
85.02899	4.9
88.30333	0.4
91.05469	3.6
93.07033	0.6
95.04965	1.5
97.02886	2.2
103.05452	41.8
105.07001	4.3
107.04958	0.5
109.02883	1.2
109.06500	0.5
115.05451	1.3
117.03402	0.8
117.07027	0.5
119.04925	4.2
121.06396	0.5
122.03613	0.9
122.06026	0.7
127.03899	1.4
129.06931	0.7
130.08620	0.9
131.04912	100.0
132.05235	1.4
133.06494	3.1
135.04372	0.7
136.07538	0.7
137.05960	18.7
140.07059	1.3
143.04941	0.8
145.02850	2.1
145.05022	0.6
145.10126	0.5
146.03152	0.4
146.05975	2.4
147.04385	7.2
149.05954	1.5
151.03882	0.9
151.07500	1.0
156.42322	0.6
157.06474	0.7
161.05965	9.0
162.06671	0.5
163.03856	2.5
163.07521	47.1
164.07887	0.6
165.06943	0.6
167.06989	0.7
175.03889	1.3
175.07512	5.1
177.05428	4.0
178.05783	2.3
179.07047	4.1
186.05467	0.7
187.07515	2.7
189.09114	0.8
190.07643	0.5
191.08537	1.6
194.07204	0.8
204.06540	0.9
205.06529	0.7
207.06459	2.7
214.04980	6.6
219.08005	2.7
222.06737	0.8
230.04488	1.7
235.07581	1.0
239.10634	0.5
242.04568	0.8
247.07535	1.1
251.10632	2.1
264.07999	0.7
265.08594	1.9
270.03934	5.0
272.05603	1.5
279.10129	4.0
281.08218	0.5
285.13663	0.9
291.10190	1.6
295.09775	0.8
296.10217	0.5
297.11240	2.8
299.12717	1.5
300.29529	0.4
307.18991	0.5
311.12735	6.5
312.05203	2.3
313.11581	1.3
313.14420	1.3
323.09030	0.5
323.12643	1.2
330.06049	11.0
331.06570	0.8
341.13727	3.6
345.14404	1.0
348.07166	2.1
359.15338	0.6
362.08643	13.2
363.09250	1.2
380.09766	4.4
489.15009	2.1
521.17938	3.4
521.25537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.01848	1.1
56.20829	0.7
57.44698	0.6
61.02915	0.7
65.03925	1.3
67.19456	0.7
69.03398	1.3
69.68448	2.3
69.68880	3.0
70.06581	1.2
75.45895	0.6
75.87737	0.6
77.03903	0.7
78.42155	0.7
81.03397	2.1
83.77601	0.6
84.08113	0.8
85.02876	2.8
89.03903	1.2
91.05466	16.4
95.04955	1.3
97.02863	0.8
99.04443	1.0
103.05460	26.0
105.07004	2.2
107.04949	1.0
109.02869	2.0
117.13721	0.7
119.04930	25.1
119.08566	0.6
120.08081	0.9
122.03642	0.6
122.05939	0.7
127.03941	1.1
129.03387	0.9
130.08601	0.7
131.04915	57.4
131.51689	0.7
133.06462	2.4
137.05963	5.1
142.41896	0.6
145.02863	1.7
147.04399	24.1
149.05936	1.0
151.03900	2.2
157.03925	1.5
161.05971	7.3
163.03928	2.5
163.07536	18.4
164.04659	0.7
175.03885	41.5
175.07396	1.2
177.05438	2.8
179.07065	4.4
207.06509	100.0
247.07567	0.7
311.12976	1.2
314.13837	0.7
351.10599	1.2
359.14847	2.9
369.11743	5.4
395.28455	0.7
489.13205	0.8
521.18604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77465	1.1
55.05502	7.2
57.03415	2.1
57.07050	1.6
67.05492	13.3
69.03393	1.4
69.07064	6.6
71.78659	1.1
71.79069	2.1
79.05479	9.9
81.07044	26.6
83.08614	5.2
85.06532	2.5
91.05439	9.6
93.07023	15.7
95.04959	2.2
95.08588	19.8
97.06524	2.7
97.10161	2.3
99.08097	3.0
105.07014	16.4
107.08580	24.4
109.06517	1.5
109.10140	17.5
111.08086	1.3
117.07040	4.6
119.08566	22.3
120.48131	1.1
121.10130	17.2
123.11674	7.7
125.09636	1.8
129.06995	1.8
131.08565	12.3
133.10114	16.8
135.08134	1.6
135.11674	21.7
137.09631	2.2
137.13257	2.4
142.07704	1.4
143.08591	3.3
145.10092	12.9
147.08012	1.2
147.11661	11.8
149.09616	1.6
149.13242	7.9
151.11197	2.4
153.12769	1.6
155.08591	1.7
157.10092	7.4
159.11665	11.5
161.09509	1.6
161.13248	12.6
163.07715	1.2
163.11179	1.8
163.14786	11.6
167.05551	2.2
169.10136	2.8
171.11668	8.7
173.09666	1.3
173.11815	2.1
173.13219	14.6
175.14793	13.2
177.12767	3.9
177.16362	6.6
179.10698	1.2
179.14281	2.1
183.11708	4.1
185.13246	8.1
187.14786	13.7
187.16295	1.2
189.12766	2.2
189.16365	11.1
191.14314	3.9
191.17966	2.4
193.15938	1.6
195.11685	1.4
197.13249	3.4
199.14772	6.9
201.12712	1.6
201.16328	10.2
203.14342	3.2
203.17987	4.0
205.12170	1.8
205.15814	2.3
207.17497	1.5
209.13168	1.4
211.14851	1.7
213.16446	3.9
215.17926	20.8
217.19449	1.5
219.13835	2.6
219.17337	1.9
225.16411	3.3
227.17880	9.1
229.16162	1.3
229.19502	2.0
231.17540	2.0
239.17984	4.4
241.19432	6.5
243.17447	1.8
243.21159	1.8
245.19058	1.4
247.16986	1.9
251.17920	2.1
253.19482	7.6
255.21146	3.4
257.19034	3.6
259.20767	2.1
259.63324	1.2
261.18451	7.5
265.19498	1.5
271.16962	1.5
273.18604	4.4
275.20245	1.5
279.21133	2.5
285.18567	2.7
287.20126	2.0
293.22598	1.5
295.24072	1.5
299.06354	1.8
299.20120	4.1
313.21841	1.7
329.21179	1.9
335.27350	2.2
337.25262	1.5
343.22525	2.0
349.16794	1.4
353.28375	2.6
365.32040	2.8
367.17743	1.5
369.24515	1.3
375.30487	9.0
393.31451	28.5
394.31870	1.5
401.30447	1.3
403.29749	1.8
409.30878	1.8
411.32541	9.1
421.30930	30.6
427.32147	1.3
439.32025	100.0
440.32632	3.7
457.33090	70.8
467.31628	2.4
485.32861	2.8
503.33752	4.4
520.30121	3.1
520.36353	48.4
521.36725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14649	0.6
55.05494	2.1
57.07057	1.2
64.48404	0.5
67.05488	4.3
67.42254	0.6
69.03416	1.0
69.07051	3.5
71.79154	1.1
79.05472	3.8
81.03406	0.7
81.07043	7.3
83.04955	1.0
83.08602	1.9
91.05416	3.3
93.07028	6.5
95.04945	1.2
95.08585	7.1
97.06488	0.8
97.10147	1.3
105.07015	8.1
107.08582	10.4
109.06482	0.9
109.10143	7.2
117.06992	1.5
119.08572	10.0
121.10101	7.3
123.11681	2.4
128.98528	0.6
129.06958	1.4
131.08534	5.5
133.10114	9.5
134.10387	0.7
135.08055	0.7
135.11664	5.7
137.05968	0.7
137.09613	0.6
137.13214	1.0
141.07016	1.0
143.08527	4.0
145.10100	8.5
146.10452	0.7
147.11687	4.5
149.09590	0.9
149.13237	3.2
151.11108	0.7
151.14731	0.6
155.08464	1.2
157.10086	5.0
159.11644	5.6
161.13205	5.3
163.14793	8.2
167.05626	1.0
169.10121	3.4
171.11687	3.7
173.11783	1.1
173.13229	4.2
175.11133	0.6
175.14786	11.5
177.16330	4.9
181.10184	1.3
183.11638	3.4
185.13243	6.5
187.11131	0.9
187.14803	6.7
189.16341	4.1
193.15813	4.1
195.11610	2.0
196.12482	0.9
197.13266	4.0
199.14836	4.3
201.16386	6.0
203.14188	1.5
203.17943	1.2
205.15833	2.0
209.13255	1.0
210.13934	1.5
211.14740	3.9
213.16418	4.1
215.14474	0.7
215.17897	4.7
217.15849	1.5
219.17419	0.7
223.14774	0.7
224.15614	0.7
225.16322	2.4
227.17867	6.0
229.19478	1.3
231.17427	1.4
237.16393	1.8
239.17892	6.5
241.19554	1.6
243.17476	1.4
245.18959	6.6
251.17903	1.0
253.19446	1.4
257.18973	20.5
269.19144	0.7
279.21106	1.6
283.16852	0.9
285.18582	0.8
305.22568	1.5
317.21143	0.7
319.24252	1.3
337.24957	0.7
363.30173	1.5
365.32040	0.8
375.30453	6.6
391.29974	0.8
393.31537	6.5
403.29922	1.3
409.30997	8.7
421.30988	19.4
423.32578	2.7
439.32031	100.0
440.32327	2.9
449.30521	2.0
455.31409	1.4
467.31543	5.8
485.32452	1.2
502.33698	0.7
520.36328	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.0
56.96555	3.4
57.07054	2.4
57.90149	2.2
58.58511	2.3
58.89796	2.4
62.43170	2.5
62.46970	2.3
67.05496	32.1
69.03410	5.1
69.07050	16.7
69.67585	6.3
69.67994	12.9
71.04966	3.3
79.05478	21.5
81.03401	3.6
81.07042	36.4
83.04971	3.7
83.08595	12.6
86.09646	2.8
88.03970	10.7
91.05441	18.5
91.72045	2.9
93.07039	34.3
95.04953	8.3
95.08592	45.8
96.08975	3.5
97.06518	7.4
98.21503	4.4
98.98451	6.9
99.08075	2.5
105.07013	30.8
105.99514	2.4
106.04977	3.8
107.08574	45.8
109.06490	3.4
109.10139	52.9
110.10464	3.0
111.08062	5.3
113.05974	6.5
117.06995	5.8
119.08568	39.6
120.05908	2.8
120.08881	3.2
121.10132	70.5
122.10477	2.9
123.08036	6.5
123.11672	24.2
125.09617	4.0
125.88577	2.6
129.06979	7.9
130.85674	2.5
131.08553	23.9
133.10109	55.8
134.10426	3.0
135.08075	4.6
135.11667	63.6
137.09541	3.1
137.13226	7.6
143.08527	9.4
145.10109	33.5
147.08051	5.5
147.11679	27.6
149.09584	8.3
149.13234	8.9
153.09065	7.7
157.10086	16.4
159.11623	21.8
161.09554	4.2
161.13220	26.2
163.14792	27.6
165.09071	5.1
169.10121	4.2
170.10915	3.7
171.11647	37.1
173.11803	4.5
173.13240	38.6
175.11154	3.6
175.14796	19.7
177.16356	10.3
179.10641	6.2
181.10307	2.8
183.11664	2.8
185.13231	26.8
187.14809	21.9
189.12740	6.5
189.16357	32.0
191.14264	12.5
191.17906	5.8
197.13194	5.4
199.14787	32.8
201.16379	26.2
203.14354	3.9
203.17979	6.1
205.12288	3.0
205.16016	5.0
207.13722	4.3
209.15294	8.5
211.14812	5.1
213.16344	13.7
215.17885	4.3
217.12164	2.7
217.15865	7.0
219.13797	7.1
219.17476	5.1
221.15103	2.7
225.16356	5.5
227.17892	5.2
229.15913	3.7
231.13805	2.7
231.17380	11.1
278.82462	2.4
294.03479	2.8
323.23639	7.9
335.25894	8.4
341.24966	2.9
349.16797	4.8
363.26767	7.5
371.25754	7.2
378.28821	3.4
381.27719	22.8
393.31479	20.2
403.29996	7.1
411.32532	9.8
421.30908	47.4
424.29190	4.5
439.32034	100.0
449.30536	18.0
467.31516	78.4
468.31815	3.3
485.32593	97.3
486.32721	5.1
503.33456	12.2
520.34265	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.8
55.05505	7.4
57.07074	2.4
59.04966	2.0
59.84700	1.9
67.05493	21.2
68.05837	1.8
69.03425	2.1
69.07065	11.9
69.26155	1.9
69.31579	2.1
71.79762	2.7
79.05482	12.0
81.07042	30.5
83.08614	8.6
85.02908	2.5
86.09701	2.9
86.85690	1.8
88.03976	2.0
90.37212	2.1
91.05472	13.4
93.07032	24.9
95.04978	6.6
95.08589	29.7
97.06529	7.0
97.10171	3.3
104.10743	5.9
105.07016	29.7
107.04941	1.8
107.08573	48.7
107.09227	3.3
109.06534	2.3
109.10140	42.2
113.06013	6.7
117.07037	3.0
119.08570	42.7
121.10126	62.3
123.08073	7.0
123.11687	26.8
125.09596	5.9
129.06996	6.8
131.08546	21.2
133.10104	47.0
135.08000	2.4
135.11670	53.8
135.12628	3.5
137.09656	4.7
137.13226	6.3
139.11185	5.5
143.08525	8.4
145.10109	31.5
145.59085	1.8
147.08057	5.3
147.11671	26.1
149.09598	3.1
149.13246	8.4
153.09152	4.7
157.10106	17.0
159.11693	15.8
161.09647	5.7
161.13237	20.8
163.14789	22.6
165.09125	5.2
165.16338	2.1
167.10747	2.1
169.10158	5.9
171.11684	43.1
173.13231	36.3
175.11163	3.2
175.14813	23.9
177.16377	10.8
179.10684	6.1
183.11761	4.5
184.07343	12.4
185.07582	2.7
185.13248	23.6
187.14786	21.7
189.12772	5.5
189.16365	30.2
191.14275	9.8
191.17902	4.3
193.12183	2.2
195.11662	3.1
197.13280	8.8
199.14789	31.8
201.16367	14.7
203.14412	4.4
203.17937	15.1
205.11967	1.9
205.15842	2.5
207.13872	3.7
209.15302	9.6
211.14882	4.7
213.16370	14.1
215.14452	2.6
215.17950	5.0
217.12279	3.8
217.15785	11.7
219.13945	3.9
219.17491	3.2
225.16435	4.0
227.17984	3.9
229.15950	4.2
231.17409	11.2
233.15370	2.2
241.19357	2.3
245.15439	3.0
247.16960	2.3
257.19061	2.2
259.16916	3.5
265.19528	2.2
267.21091	2.4
271.20615	1.9
292.19824	4.8
317.17349	2.3
323.23688	7.9
335.26575	2.9
357.24249	2.7
363.26868	6.5
369.24362	2.7
371.26041	5.6
381.27774	21.9
393.31500	15.2
403.29675	10.6
411.32602	13.4
414.82962	2.1
421.30914	43.5
431.29449	2.2
439.32071	93.3
440.32098	3.1
449.30630	19.1
467.31528	77.2
468.32083	2.3
485.32571	100.0
486.32916	3.9
498.06277	2.0
503.33633	5.3
520.32837	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	520.3391
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05512	1.1
56.05025	1.4
56.51321	0.2
57.03421	0.5
58.06575	1.3
59.07380	0.4
60.08153	17.5
67.05170	0.3
67.05494	3.0
69.07051	1.1
69.75531	0.3
69.75944	1.1
70.06586	0.2
71.07359	6.0
79.05475	0.8
81.07037	3.3
81.07519	0.2
83.08617	0.4
86.09690	51.0
87.10008	0.5
90.01077	0.2
91.05471	0.5
93.07037	1.1
95.08592	1.6
95.66039	0.2
97.06510	0.3
97.10132	0.4
98.98445	3.2
102.08957	0.2
104.10724	92.3
105.07002	0.4
105.11060	0.9
107.08564	0.6
109.10133	0.8
119.08488	0.2
121.10143	0.4
124.99980	28.5
133.10109	0.4
143.01028	0.4
163.01543	0.8
184.07310	100.0
185.07744	1.0
231.83549	0.2
258.10910	0.9
337.27347	0.7
443.25793	0.3
502.32837	8.5
503.33292	0.2
520.33911	35.4
521.34332	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	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65265	0.1
55.05493	0.2
56.05027	0.4
57.03414	0.2
57.07052	0.1
58.06616	0.4
59.07382	0.1
60.08151	6.1
67.05489	0.6
67.66482	0.1
69.07071	0.4
69.59292	0.6
70.06593	0.1
71.07357	2.6
79.05479	0.2
81.03364	0.1
81.07043	0.5
83.08597	0.2
86.09689	28.8
86.90466	0.1
87.10018	0.2
91.05483	0.1
93.07056	0.2
95.08550	0.4
97.10149	0.1
98.97787	0.1
98.98441	2.6
104.10725	2.8
105.07021	0.2
107.08570	0.1
109.10157	0.2
110.93960	0.1
119.08578	0.1
119.93526	0.1
121.10136	0.1
124.99977	20.0
135.04901	0.1
143.01035	0.2
184.07307	100.0
185.07657	0.9
258.10971	0.2
337.27209	0.1
343.27295	0.1
502.32840	1.1
520.33881	3.7
521.34235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	6.3
57.07057	1.9
61.18959	1.6
62.53429	1.4
63.02346	1.4
67.05494	14.0
69.07070	10.7
70.89613	6.2
71.05006	1.6
73.94602	1.6
78.10043	1.7
79.05463	7.0
81.06589	3.4
81.07035	33.3
83.08586	4.9
83.58480	1.7
91.05457	7.7
93.07021	15.5
95.08600	15.5
97.10163	3.6
97.82390	2.1
105.06998	17.1
107.08585	23.5
109.06448	1.7
109.10133	35.9
113.33817	1.6
117.06954	8.9
119.08571	20.4
121.10109	16.6
123.10861	3.3
123.11688	43.3
128.00920	1.6
128.93019	1.8
129.06982	5.9
131.08531	18.1
133.10106	18.5
135.11664	11.9
137.13213	6.6
143.08530	8.8
145.10115	14.5
147.11671	27.0
149.13231	18.7
151.14764	1.7
155.08534	5.3
157.10146	9.4
159.11696	10.9
161.09631	2.2
161.13266	11.3
163.14774	4.8
169.10077	9.1
171.11664	16.5
173.13240	19.1
175.14822	11.4
177.12807	2.4
181.10033	3.3
183.11671	7.9
185.13206	12.9
187.14819	12.4
189.16348	2.6
195.11617	3.6
197.13193	4.9
199.14804	16.2
201.16370	9.0
209.13249	3.0
211.14685	4.6
213.16296	11.2
215.14328	2.7
215.17923	16.2
217.12164	3.4
219.13837	2.0
221.13275	2.1
223.14780	7.7
225.16374	7.8
227.17909	5.3
231.17345	2.1
237.16310	6.7
239.18010	4.7
241.19424	2.0
243.13710	2.2
247.17101	2.4
251.17867	7.3
253.19485	6.0
259.16852	4.4
261.18472	11.0
263.17914	3.0
265.19562	9.3
267.21063	2.9
269.18729	1.9
279.21024	6.4
281.22577	2.7
283.16846	3.8
285.18323	1.8
311.19968	4.3
313.21567	2.0
318.71350	1.9
321.25668	40.9
322.26419	2.4
323.27280	22.2
325.21585	2.5
339.26874	3.3
347.27032	3.9
349.25095	2.5
365.28113	10.2
367.26221	57.8
367.29846	2.6
369.23282	2.7
369.27856	55.1
385.27524	2.4
393.27655	5.7
395.25467	3.0
411.28833	19.7
413.26791	100.0
414.26874	3.2
439.32065	5.9
457.29465	80.3
496.02103	2.2
520.33105	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	520.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03933	2.4
55.01865	1.5
57.03421	2.1
61.02907	1.4
65.03912	0.6
68.99765	0.7
69.03417	10.3
70.06573	1.6
71.05003	1.8
71.05507	1.4
73.02906	2.3
73.50877	0.7
79.05483	1.9
79.64182	0.5
81.03413	10.0
81.07018	0.8
82.21656	0.5
83.04948	0.7
83.85733	0.5
85.02895	10.3
86.09700	1.9
87.00820	2.3
89.03898	2.2
91.05482	2.4
93.07030	0.7
95.04959	1.8
97.02885	6.2
97.06473	0.7
99.04436	2.7
103.03892	0.8
103.05463	1.6
105.01846	0.7
105.07027	1.2
107.04941	89.9
108.05272	0.9
109.02867	7.9
111.04453	0.9
114.09158	2.4
115.05440	8.4
116.07062	0.7
117.03353	7.7
117.07012	1.3
119.04965	3.1
120.04427	0.7
121.02843	0.8
121.06495	3.8
123.04414	12.1
127.03907	9.2
128.07062	0.7
131.04910	3.6
132.08023	0.7
133.06454	1.7
135.04422	2.2
135.06824	1.4
136.07561	5.4
137.05940	3.7
138.05405	0.6
138.06364	0.8
143.04907	19.4
143.06027	1.0
144.78015	0.6
145.01677	1.0
145.02827	21.3
145.04919	1.2
145.06480	11.1
146.03163	0.6
146.08080	0.8
146.47125	0.5
147.04341	2.9
149.04472	0.7
149.05984	4.0
150.97865	0.5
154.04893	0.7
158.70737	0.7
159.02861	1.2
160.09714	0.8
161.05957	18.2
163.03897	1.6
163.07521	1.5
164.07053	11.9
165.05441	3.4
166.04976	1.1
166.41635	0.6
167.07004	1.0
175.03911	0.6
175.07477	1.0
177.05450	41.9
177.94362	0.7
178.05722	0.8
178.08566	1.1
179.07259	0.7
179.08952	0.7
181.06372	0.7
181.08577	1.4
182.08145	6.4
183.06779	0.6
187.06073	1.1
187.07549	0.8
189.12733	1.2
191.08592	1.5
194.07170	0.8
207.06520	1.7
209.09608	3.7
219.08043	1.2
222.06790	0.7
226.06165	1.4
237.09050	4.8
241.46858	0.6
255.10136	40.2
256.10510	0.9
259.11176	1.3
270.11218	2.2
272.12775	31.9
311.64493	0.6
321.09860	0.9
324.13269	0.7
339.10809	0.9
434.18073	3.9
476.19116	44.6
477.19308	1.2
502.17188	0.7
520.18079	100.0
521.18317	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.1
55.01857	0.2
55.05498	0.2
56.05011	0.4
57.03421	0.2
57.05795	0.7
58.06315	0.3
58.06591	5.4
58.99564	0.2
67.05511	0.2
69.03404	0.5
69.07056	0.4
69.53776	1.4
69.81914	0.1
70.06579	1.1
71.07360	0.7
72.08147	10.0
76.02233	0.3
79.05467	0.2
81.03407	0.6
81.07021	0.2
83.05000	0.2
84.08127	0.5
85.02892	0.5
85.06517	0.2
85.08903	0.4
85.21207	0.1
86.09670	0.3
91.05412	0.2
91.05840	0.2
93.07024	0.2
95.04935	0.2
97.02881	0.4
97.06512	0.3
99.04410	0.4
105.07042	0.2
107.04956	0.3
109.02857	0.5
109.06486	0.2
109.10145	0.2
111.04424	0.2
114.12790	100.0
115.05446	0.2
115.13145	0.6
117.03378	0.2
119.04925	0.6
119.08586	0.2
122.03616	0.3
124.07552	0.2
127.03951	0.4
130.08638	0.2
131.04903	0.4
133.06444	0.2
135.11607	0.1
137.05965	3.8
138.06302	0.2
145.02837	0.4
147.04356	1.0
149.05959	0.3
151.03903	0.4
151.07545	0.2
161.04758	0.2
161.05998	0.6
163.03891	0.4
163.07542	0.4
165.06815	0.2
167.05724	0.2
167.07060	0.6
175.03879	1.0
175.07565	0.5
177.05453	1.3
179.07068	0.4
182.86391	0.1
187.07533	0.4
191.14500	0.1
199.07474	0.2
207.06500	2.3
217.08514	0.2
219.10384	0.2
227.24252	0.1
259.11224	0.2
294.64859	0.2
295.60950	0.2
297.11758	0.2
299.06082	0.4
307.09720	0.2
335.43243	0.2
355.44684	0.2
357.13272	0.6
360.22668	0.2
369.11722	0.2
371.20697	0.4
388.22318	3.2
411.59888	0.2
473.31396	1.7
501.30676	12.9
519.19220	0.6
519.31738	6.2
520.20306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.3
57.03417	0.2
58.06590	3.3
61.14817	0.2
67.05486	0.4
68.45734	0.1
69.03413	0.3
69.07063	3.3
70.06585	1.6
71.04972	0.2
71.07348	0.3
72.08149	0.9
79.05471	0.4
81.03398	0.4
81.07043	0.7
83.04970	0.5
84.08115	1.6
85.02879	0.4
85.06552	0.2
85.08913	4.2
86.09697	8.1
91.05405	0.3
93.07027	0.6
95.04976	0.4
95.08600	0.4
97.02864	0.3
97.06508	0.4
99.04457	0.2
103.05467	0.3
105.07013	0.8
107.04976	0.2
107.08564	0.6
109.02872	0.4
109.06522	0.3
109.10170	0.3
114.12791	100.0
115.05396	0.2
115.13147	0.8
119.04950	0.3
119.08553	0.4
121.06501	0.3
121.10114	0.2
125.09598	0.2
127.03893	0.4
131.04874	0.2
131.08542	0.2
133.08855	0.9
133.10118	0.3
135.07956	0.2
136.07568	0.2
137.05986	1.4
137.09537	0.2
143.10643	0.2
145.02827	0.4
145.04898	0.2
145.10094	0.4
147.04361	0.4
147.11630	0.3
148.11186	8.6
149.06009	0.3
151.07397	0.2
154.25304	0.2
159.08104	0.2
160.07561	0.4
161.05945	0.4
163.03935	0.3
165.05473	0.3
167.07034	0.3
175.07495	0.4
175.14717	0.2
177.05452	0.9
182.08124	0.3
187.07498	0.4
191.06873	0.2
191.14288	0.2
199.07440	0.2
199.18106	0.2
206.08101	0.2
207.08105	0.2
215.06952	0.2
225.12318	1.0
227.17357	0.2
261.56744	0.2
265.08517	0.2
271.06067	0.6
287.05542	0.3
293.11099	0.3
295.16519	0.6
297.11270	0.4
299.06119	0.5
406.19507	0.5
491.28467	0.4
519.20441	0.4
519.29419	5.1
520.29718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15377	0.2
53.03926	0.2
55.01862	0.2
55.05489	0.2
56.05022	0.3
57.05801	1.0
58.06591	5.5
67.05492	0.5
69.03411	0.7
69.07050	0.9
70.06567	0.5
71.04974	0.3
71.07355	0.5
71.38411	0.2
71.38738	0.3
72.08144	9.9
75.57218	0.1
76.39314	0.2
79.05489	0.3
81.03409	0.8
81.07044	1.0
82.03745	0.3
83.04967	0.4
84.08123	0.4
85.02893	1.9
85.08910	0.7
86.03202	0.4
86.09693	0.8
88.52980	0.2
91.05421	0.8
93.07029	0.7
95.04955	0.4
95.08582	0.7
96.12202	0.1
97.02878	1.0
97.06560	0.2
99.04448	1.1
100.11246	0.5
103.03931	1.7
103.05440	0.3
104.04291	0.3
105.07017	1.2
107.04927	0.2
107.08582	0.7
109.02858	0.9
109.06521	0.4
109.10117	0.5
114.12789	100.0
115.05440	0.2
115.13139	0.7
117.07028	0.2
119.04935	0.9
119.08559	0.7
121.10130	0.5
123.08118	0.3
125.09598	0.2
127.03889	2.4
128.04243	0.7
131.04919	0.4
133.02898	0.3
133.09186	0.1
133.10075	1.0
135.08064	0.2
135.11740	0.4
136.37282	0.2
137.05959	1.7
137.09560	0.5
143.08598	0.2
143.10727	0.2
145.02835	0.9
145.04951	1.2
145.06013	0.2
145.06540	0.2
145.10126	0.6
146.05287	0.2
147.04390	3.6
147.08089	0.2
147.11604	0.2
148.11182	0.9
149.05971	0.4
149.13223	0.2
151.07555	0.2
157.10086	0.2
160.07545	0.2
161.05992	0.5
163.03958	0.2
163.05998	0.8
163.07388	0.3
163.11182	0.6
164.06389	0.3
167.07024	0.3
167.14328	0.4
175.07527	0.4
175.14777	0.9
177.05443	2.3
181.04857	0.2
185.39525	0.2
187.07552	0.4
193.12299	0.2
195.10149	0.6
201.16319	0.1
203.06914	0.2
219.08011	0.2
219.17401	0.3
248.08536	0.2
266.99802	0.2
277.08636	0.3
299.06076	0.5
454.96353	0.2
501.19080	0.3
501.32043	0.2
519.21454	0.4
519.29407	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.4
55.05505	39.9
57.03436	12.8
57.07067	26.1
67.05499	24.6
69.03409	5.2
69.07061	11.1
69.48904	1.7
69.49223	20.5
71.08240	2.1
71.08617	23.0
79.05489	14.0
81.07040	20.8
83.04942	2.8
83.08148	2.9
83.08604	28.8
85.10171	12.4
91.05462	3.5
93.07044	8.6
95.08589	14.6
97.10155	65.6
105.06993	3.3
107.08569	15.9
107.29026	1.6
109.10146	10.9
111.08052	3.4
117.07029	2.1
121.10159	1.9
125.09613	63.9
126.70060	1.6
135.08022	4.6
141.57121	1.8
143.10632	3.0
153.09096	3.6
171.10144	5.1
182.86182	1.8
189.11197	46.2
227.12744	100.0
245.13815	85.8
257.24875	2.1
313.27335	82.1
363.16248	1.9
483.36765	67.7
518.38794	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	519.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80333	0.6
53.03945	1.8
55.05500	1.3
57.03421	0.9
58.06587	4.5
60.04514	13.6
61.02916	0.8
67.05494	1.4
69.03423	4.2
69.07052	7.8
69.45470	6.0
70.03772	0.8
70.06575	1.9
71.04984	1.5
72.08143	4.2
73.02908	1.5
79.05480	1.3
81.03409	5.7
81.07040	2.1
82.03748	1.5
83.04965	1.7
84.08130	2.1
85.02885	17.4
85.06516	0.7
85.08920	4.0
86.03243	3.8
86.03677	0.5
86.09692	69.3
87.09992	0.6
89.52297	0.6
91.05476	2.2
93.07030	1.9
95.04941	1.4
95.08603	1.8
97.02877	10.5
97.06503	0.9
98.03201	2.3
98.20738	1.4
99.04439	12.7
100.04790	3.1
103.03925	20.2
103.05415	1.0
104.04253	3.7
105.07007	2.2
107.04964	0.9
107.08594	1.9
109.02849	6.2
109.10130	1.2
110.03172	1.7
114.12785	100.0
115.05418	1.3
115.13120	2.0
117.07010	1.7
119.04935	1.6
119.08543	2.7
121.06494	0.8
121.10145	1.7
127.03896	24.9
128.04231	8.5
129.06998	1.0
131.04933	1.4
131.08583	0.7
132.08058	3.0
133.06480	0.7
133.10117	1.7
135.11630	0.8
137.05954	5.3
137.09576	1.7
143.04884	2.5
143.10583	0.6
145.02879	0.9
145.04932	15.0
145.06441	3.3
145.10112	1.4
146.05226	3.8
147.04388	11.4
147.07979	0.7
147.11732	0.9
148.11185	6.4
149.05959	1.4
149.13206	0.8
151.07507	1.1
154.06206	1.1
154.15874	7.1
155.06548	0.9
159.07964	0.7
159.11708	0.7
160.07552	62.9
161.05876	1.0
161.07852	1.3
162.09094	1.4
163.06018	10.7
163.07478	1.9
163.11194	0.9
164.06259	2.8
167.05508	1.1
167.06961	1.2
171.04361	8.9
172.07498	0.7
172.93515	0.6
175.07532	0.7
175.14825	0.6
177.05405	3.4
177.10213	5.8
178.08632	0.8
187.05972	1.0
188.06984	1.4
189.05429	21.1
195.10133	3.2
196.10431	2.5
199.18022	11.3
202.08592	2.0
205.07028	0.9
205.09747	1.8
206.08089	42.1
207.08272	0.7
219.11272	13.5
223.10744	4.9
227.17493	12.2
228.13771	1.5
230.15445	0.7
245.18713	0.8
247.08337	0.8
247.10709	5.3
248.09100	5.5
251.10187	2.0
265.11783	34.7
266.12234	0.8
271.08029	1.9
272.08325	2.7
274.14337	2.9
286.11301	0.9
290.09436	1.6
291.16910	4.1
293.11270	37.4
294.11548	1.2
299.06171	1.3
301.15335	0.8
303.23108	1.0
307.09848	0.7
308.10400	1.4
309.11179	0.7
315.16849	0.8
319.16495	6.6
331.97791	0.7
333.17877	2.5
336.18967	0.8
360.19220	4.1
361.17517	8.0
364.18436	1.0
378.20071	6.0
388.18317	2.1
406.19647	45.0
407.19879	1.7
432.24783	3.2
445.28326	1.6
446.26639	1.0
473.27579	4.1
474.25964	5.7
477.26950	1.1
491.28531	18.7
492.28391	1.3
501.26312	1.1
519.28033	22.0
523.16040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05513	2.9
55.49399	0.9
56.18095	1.0
57.03441	1.2
57.07063	0.9
60.08155	16.3
67.05495	5.2
69.07075	3.1
71.07351	5.7
79.05486	5.1
81.07047	15.2
83.08629	3.0
85.06567	2.4
86.09171	2.4
86.09695	44.3
91.05452	4.8
93.07021	8.8
93.07494	0.8
95.04958	1.1
95.08598	11.3
97.10145	1.3
98.98486	3.2
99.08111	1.8
104.10732	82.1
105.07006	7.3
107.08575	13.4
109.06496	1.1
109.10143	8.1
111.08085	1.2
117.07059	2.2
119.08564	10.2
121.10136	10.5
123.08155	0.9
123.11731	3.8
124.99988	22.5
125.09647	1.1
129.07002	2.4
130.45523	1.0
131.08548	5.3
133.10109	9.4
135.11655	8.1
137.13321	1.3
143.08606	2.6
145.10123	8.0
147.11681	6.4
149.13315	3.5
155.08646	1.4
157.10172	3.9
159.11650	5.5
161.13231	6.6
163.14781	4.4
169.10176	2.9
169.33176	1.0
171.11671	5.3
173.13307	6.0
175.14868	3.5
177.12758	2.5
177.16360	1.8
179.14398	1.0
181.10013	1.1
183.11761	4.0
184.07323	84.7
185.13202	5.5
187.14821	5.9
189.12830	1.8
189.16463	3.4
191.14310	1.6
195.11682	1.5
197.13399	3.5
199.14851	4.1
201.16315	4.8
203.14365	2.1
203.18085	1.5
205.15953	1.3
207.17465	1.4
209.13345	1.4
211.14932	2.8
213.16501	3.7
217.12274	1.8
217.15993	1.6
219.13795	1.0
219.17500	0.9
223.14960	2.2
225.16527	2.9
227.17992	2.8
229.12283	1.4
229.16060	1.1
229.19534	1.1
231.17535	1.8
237.16492	3.1
239.17961	2.9
241.19620	1.8
245.19102	1.9
251.18073	2.3
253.19611	3.4
257.15384	1.1
257.19046	1.1
263.18182	1.7
265.19592	1.7
269.19122	2.1
271.16983	1.4
277.19852	1.0
279.21069	1.4
283.16989	3.3
285.18634	1.3
297.22049	1.0
333.25925	2.1
341.21185	1.6
343.22910	1.3
351.27026	2.8
353.28464	1.1
373.29138	3.4
379.26501	2.5
381.24304	1.1
391.29950	9.0
397.27258	2.2
399.29150	1.4
407.29401	1.4
409.30951	7.0
419.29337	6.6
425.30670	2.3
437.30460	23.7
455.31552	54.7
456.32361	1.2
465.30182	3.2
483.31241	2.7
500.31207	7.8
501.32117	1.4
518.34650	100.0
519.34766	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	518.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.2
57.03421	4.4
57.07048	3.4
67.05499	9.7
69.07062	12.9
70.84225	2.8
70.84615	3.7
79.05487	9.9
81.07046	37.2
83.04977	2.9
83.08605	7.6
85.06519	5.3
91.05450	10.9
91.86105	1.7
93.07037	21.8
94.07323	2.0
95.04945	3.0
95.08597	36.3
97.10161	3.2
99.08076	3.2
105.07018	23.1
107.08580	34.7
109.10151	25.6
111.08047	2.3
117.07000	15.3
118.28640	1.8
119.08572	34.8
121.10137	33.1
122.10450	2.0
123.08027	2.0
123.11693	21.4
124.12051	2.1
125.09652	5.3
129.06990	7.1
131.08551	28.3
132.08891	2.9
133.10106	29.9
135.08075	3.1
135.11682	17.6
137.09608	3.3
137.13266	3.9
141.06935	3.4
143.08559	13.6
145.10112	27.2
147.11673	22.5
149.09628	2.7
149.13214	11.3
150.13609	1.9
153.09155	3.3
155.08574	6.2
157.10114	18.4
159.11671	22.3
160.12045	3.0
161.09686	2.0
161.13245	19.0
163.07494	2.7
163.14781	9.4
169.10097	19.5
171.11664	26.8
172.12224	1.9
173.09543	2.3
173.13249	24.6
174.13681	2.3
175.14778	14.1
177.12770	5.8
177.16353	21.5
179.14310	4.0
181.10175	6.4
183.11652	16.6
184.12273	2.6
185.13272	23.3
187.11244	3.2
187.14801	38.5
189.12773	3.5
189.16379	19.4
191.10614	2.9
191.14313	3.8
191.17929	2.3
193.10133	2.6
193.12039	1.8
195.11641	8.7
197.13281	13.4
198.13699	2.6
199.14799	25.6
200.15182	2.0
201.12823	3.3
201.16351	17.8
203.14336	4.2
203.17969	5.3
205.15907	8.6
207.11690	2.9
207.17528	3.9
209.13275	5.4
211.14868	4.5
213.16356	25.0
215.14314	7.6
215.17944	4.6
217.12276	5.3
217.15768	4.3
219.13753	2.1
221.13271	4.5
223.14874	6.9
225.16359	12.8
226.16646	2.5
227.14420	2.4
227.17900	12.8
229.12291	2.6
229.19562	3.1
231.13745	5.6
231.17308	3.9
233.15349	2.2
235.14851	3.7
237.16426	11.6
239.17874	15.6
241.15759	2.9
241.19554	5.9
243.13707	3.3
243.17442	2.5
245.15443	3.9
245.18959	10.4
249.16324	2.7
251.17880	7.7
253.19553	7.4
257.19101	5.9
259.13385	3.7
259.17014	12.1
263.17947	5.0
265.19498	5.0
267.20984	2.1
269.19128	5.1
271.16959	4.6
277.19391	4.5
279.21039	3.2
283.16940	7.5
285.18546	4.5
287.20041	2.3
289.19675	2.3
291.21088	3.8
293.22577	3.5
297.18506	4.6
307.24130	2.4
315.19739	2.5
317.22635	3.3
333.25482	2.4
335.23993	2.1
339.23483	2.4
351.26920	3.4
363.23224	4.6
363.30750	3.5
373.28922	15.9
375.30649	4.8
376.26993	2.3
379.30231	2.8
391.29926	45.9
393.31509	3.6
394.28214	7.8
396.29944	7.7
401.28540	4.9
409.30975	39.1
419.29388	56.5
421.30884	2.8
422.27838	7.4
425.30710	4.0
429.28159	2.4
437.30475	100.0
438.30960	2.4
440.28717	11.1
447.28607	9.1
455.31531	75.9
458.29526	2.8
465.30005	42.1
466.30670	2.1
468.28323	6.0
483.31113	4.6
486.29462	3.5
501.32150	3.2
518.34747	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31635	0.6
51.82072	0.7
52.64534	0.7
55.05492	2.5
57.03422	1.4
57.07053	1.9
67.05486	3.7
68.58719	0.8
69.07053	4.3
74.47227	0.8
79.05480	4.1
81.06595	1.5
81.07043	18.4
83.08601	3.9
85.06519	4.5
91.05463	4.5
93.07020	7.5
95.08590	12.9
97.10143	1.4
99.08058	3.6
105.06998	8.4
107.08574	16.3
109.06527	0.9
109.10146	10.1
117.06976	1.8
119.08557	14.7
121.06468	1.2
121.10116	11.2
123.11671	6.5
125.09557	1.2
129.06992	2.7
131.08542	9.9
133.10106	12.5
135.07994	1.0
135.11670	11.9
137.09583	1.1
137.13268	1.8
143.08508	4.5
145.10103	12.5
147.11649	8.8
149.13232	4.7
151.11131	1.6
155.08540	1.6
157.10120	6.4
159.11685	11.8
161.09633	1.6
161.13237	6.0
163.11218	1.3
163.14825	4.7
165.12743	1.2
169.10106	5.5
171.11662	8.6
173.13217	8.1
175.07639	0.8
175.11165	1.1
175.14796	5.8
177.12738	3.0
177.16415	2.4
179.14276	1.8
181.10172	1.6
181.84526	0.7
183.11629	5.1
185.13219	7.4
187.14783	8.7
189.12714	2.2
189.16319	4.4
191.14212	1.3
191.17839	0.9
193.15868	1.4
195.11699	3.6
197.13252	4.7
199.14792	7.1
201.12730	1.5
201.16333	5.5
203.10590	0.9
203.14328	2.9
203.18039	1.7
205.12141	0.8
205.15955	1.0
207.11649	0.8
207.17482	0.8
209.13310	2.1
211.14809	3.2
213.16360	4.7
215.14351	1.7
215.17944	2.4
217.12230	1.1
217.15764	1.4
217.19524	2.0
219.13792	1.2
219.17415	1.5
221.13264	1.2
223.14841	2.0
225.16341	4.2
227.17891	4.7
229.12230	1.1
229.15918	1.6
229.19508	2.4
231.13834	1.5
231.17462	2.8
235.14862	1.1
237.16321	4.8
239.17950	5.9
241.15916	1.0
241.19536	2.2
243.13849	1.3
243.17453	1.8
245.15312	1.0
245.18974	7.8
249.16405	1.0
251.17838	4.0
253.19481	5.5
255.17395	1.5
255.21036	1.6
256.84787	0.8
257.15518	0.9
257.18954	3.5
259.16919	0.9
263.17862	1.5
265.19400	1.2
267.17300	0.9
267.21091	1.3
269.19070	1.7
277.19531	1.7
279.21027	1.5
281.18887	1.1
283.16925	4.0
283.20319	1.2
285.18478	2.7
291.21188	1.3
293.22604	1.5
295.20572	1.0
295.24286	1.0
297.18692	1.7
297.21918	1.9
299.19983	1.6
309.21936	1.5
311.20120	1.1
311.23566	1.4
317.22641	1.0
323.19894	1.2
323.27679	0.8
327.19397	0.9
329.21182	0.8
333.25537	3.9
337.21555	1.1
339.23157	1.1
343.22919	1.1
351.26746	5.7
363.22955	1.0
373.28860	5.6
379.26105	2.9
379.30194	2.4
381.31720	0.9
391.29868	14.8
397.27286	2.2
399.28943	2.9
407.29440	1.4
409.30945	17.8
409.36069	1.4
419.29343	11.0
425.30469	5.8
437.30466	43.7
438.30750	1.4
455.31519	83.0
456.31726	2.7
465.30142	1.8
483.30811	1.4
501.32108	2.0
518.34692	100.0
519.34985	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	518.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
55.09714	0.2
56.05015	0.8
57.03432	0.3
58.06562	1.4
59.07368	0.3
60.08154	17.0
65.03915	0.3
67.05496	3.0
69.07037	0.6
70.20050	0.2
71.06983	0.4
71.07362	7.0
75.62142	0.2
79.05113	0.2
79.05485	1.9
80.16372	0.2
81.07039	2.2
86.09691	52.7
87.09998	0.4
91.05463	0.9
93.07016	1.7
95.04932	0.3
95.08573	1.5
98.98444	4.2
104.10723	100.0
105.07027	0.7
105.11051	0.5
107.08584	0.9
109.10149	0.5
119.08591	0.4
121.10124	0.8
124.99979	30.9
133.10127	0.3
135.11702	0.4
143.01024	0.4
163.01569	0.9
184.07312	99.2
185.07632	0.6
208.81195	0.2
258.10986	1.1
320.39642	0.2
335.25900	0.7
377.30994	0.3
381.27927	0.2
408.04086	0.3
441.23920	0.3
473.64868	0.2
500.31293	8.8
501.31729	0.3
518.32349	34.5
519.32587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.1
56.05023	0.5
57.03442	0.1
58.06622	0.4
59.07372	0.1
60.08155	5.9
66.72686	0.1
67.05500	0.5
69.07063	0.2
70.06573	0.1
70.21680	0.1
70.22093	0.3
71.07360	2.8
79.05474	0.3
81.07062	0.5
86.09693	30.8
87.10035	0.2
91.05463	0.2
93.07037	0.4
95.08598	0.3
98.20793	0.1
98.98449	3.0
104.10728	2.9
104.11438	0.1
105.07025	0.1
107.08582	0.1
109.10107	0.1
112.13808	0.1
115.85194	0.1
119.08557	0.1
121.10118	0.1
124.99982	20.5
135.11655	0.1
136.99861	0.1
140.44411	0.1
143.01045	0.2
166.02698	0.1
182.62654	0.1
184.07315	100.0
184.43376	0.1
185.07690	0.7
258.11029	0.2
335.25818	0.2
500.31165	0.9
518.32306	3.1
519.32715	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64603	0.6
53.03934	5.9
55.01856	1.3
57.03417	3.0
61.02915	3.1
69.03416	13.8
70.86408	1.0
70.86746	1.5
71.04971	3.9
72.08145	1.0
72.49791	0.7
73.02910	3.9
81.03408	17.3
81.07038	1.6
83.04958	1.5
85.02893	66.3
86.09678	1.5
87.04469	1.6
93.07039	1.5
95.08578	1.1
97.02877	35.9
99.04443	42.4
103.03926	75.1
103.05387	2.0
105.06997	1.2
107.04943	1.0
108.04449	2.5
109.02863	20.7
109.10149	0.9
111.04424	0.7
114.12778	6.2
115.03918	1.6
117.06906	0.8
119.08518	1.2
121.10123	1.2
127.03898	100.0
133.10109	0.7
135.08014	1.2
135.11713	1.1
137.05939	0.9
139.03879	0.7
145.04941	63.9
145.10048	1.4
149.06032	0.8
154.06210	5.1
160.07565	1.4
161.06056	0.7
163.06012	44.0
163.07487	5.0
167.07086	1.4
169.04958	1.7
173.06001	1.5
177.05383	1.3
187.05998	5.0
195.10139	14.9
205.07025	2.4
205.08691	1.4
207.10117	2.2
217.06992	0.9
219.10143	1.3
247.08148	1.9
253.07034	1.5
257.22595	0.7
261.11188	0.8
271.08072	10.4
277.08487	0.7
285.11179	2.6
289.09158	7.1
303.12268	3.7
303.23071	3.9
307.10205	5.7
392.42383	0.7
434.53708	0.8
491.28479	0.8
518.30798	0.7
541.37494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05502	13.9
57.03423	3.5
57.07071	2.6
58.26450	0.8
62.23396	0.8
65.03933	1.5
66.95443	0.8
67.05495	24.9
69.03410	1.0
69.07058	12.0
70.15170	2.0
70.15584	2.6
71.04979	1.9
76.62789	0.8
76.95576	0.8
79.05479	20.0
81.07040	33.0
83.05001	2.3
83.08606	7.0
85.06545	2.4
87.15879	0.9
91.05468	19.7
93.07027	28.4
95.04967	3.3
95.08593	31.4
97.06535	2.6
97.10178	3.6
103.05463	1.2
105.07008	27.2
107.04971	1.0
107.08578	24.6
109.06516	1.8
109.10139	13.0
111.08077	1.7
115.05444	1.1
117.06992	6.3
119.08563	27.4
121.06488	1.2
121.10126	18.9
123.11716	4.9
125.09590	1.0
129.06949	4.8
131.07607	0.8
131.08540	20.3
133.10109	21.3
135.08032	1.2
135.11668	15.1
137.09569	1.1
137.13254	1.3
141.07069	1.1
143.08507	6.7
144.09308	0.9
145.10101	22.8
145.11183	1.4
147.11668	16.9
149.09676	1.9
149.13219	6.1
155.08623	2.6
157.10109	6.7
159.11681	14.3
159.12958	1.4
161.09645	1.8
161.13234	9.8
163.07689	1.0
163.14883	4.6
165.12817	1.0
167.95732	0.8
169.10197	3.1
171.11646	6.7
173.13246	13.7
173.14565	1.1
175.11287	1.0
175.14809	12.9
177.16420	3.1
179.14261	1.3
183.11662	4.3
185.13228	6.3
187.14796	11.3
189.12791	1.3
189.16400	6.2
191.14325	5.4
193.15910	2.0
195.11778	1.5
197.13286	2.3
199.14754	6.1
201.12811	1.0
201.16385	10.8
203.14378	1.6
203.18034	3.0
205.15926	2.4
211.14835	2.7
213.16449	2.7
215.14481	0.9
215.18030	2.8
217.16020	1.1
219.13800	5.8
219.17447	1.9
221.15326	1.6
227.18077	1.5
229.15858	1.1
229.19489	1.2
231.17340	1.7
233.15378	1.1
237.14861	7.6
241.18057	2.8
245.19000	1.5
247.16971	2.5
249.18619	1.1
251.20009	1.0
257.19116	1.0
259.20691	2.3
271.20587	1.1
273.22147	1.7
285.22437	1.0
287.23801	1.3
297.21924	1.2
299.23792	1.6
313.25034	1.1
333.24139	1.6
391.30133	1.2
393.31696	2.7
403.30035	3.0
405.30362	1.1
407.32986	4.2
411.32681	2.1
417.45139	1.0
419.31735	1.4
421.30917	5.8
425.34119	11.3
427.32474	1.1
439.32043	20.3
440.32236	1.2
443.35117	4.9
457.33109	3.8
481.33304	3.5
485.32660	1.2
499.38144	14.4
517.39026	100.0
518.39264	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.41273	0.7
53.03942	1.9
55.01872	0.9
55.05500	13.0
57.03437	3.6
57.07066	1.9
65.03918	1.2
67.05128	1.7
67.05492	28.2
69.07056	12.7
69.64801	6.3
69.65224	1.5
71.04993	1.9
71.08630	0.8
79.05481	20.4
79.05913	1.5
81.07044	31.6
83.04984	1.3
83.08612	7.7
85.06538	2.4
91.05464	17.9
93.07030	23.8
95.04968	2.3
95.08591	24.2
97.06532	2.4
97.10159	3.3
99.08080	1.2
105.07018	20.9
107.04941	0.9
107.08583	17.4
107.41917	0.7
109.06516	2.1
109.10143	11.0
109.10840	0.8
111.08109	1.9
111.11673	0.9
117.07008	6.4
119.08568	21.1
121.06537	0.7
121.10130	13.7
123.08086	1.4
123.11687	3.8
125.09636	1.4
125.14236	0.7
128.06297	1.0
129.07040	3.0
129.51039	0.7
131.08551	14.4
133.10117	16.7
135.08128	1.1
135.11658	9.2
135.12428	0.7
138.58636	0.7
141.07018	1.6
143.08502	4.7
145.10117	13.8
147.11644	12.1
149.09590	1.3
149.13220	6.3
155.08557	2.3
157.10104	4.8
159.11673	12.3
159.12878	0.7
161.13223	6.7
163.11157	0.8
163.14848	3.4
165.12740	1.1
169.10173	2.0
171.11671	5.2
173.13242	8.3
175.14819	3.8
177.12802	0.8
177.16429	1.4
179.14305	1.2
183.11736	2.0
185.13246	3.8
185.69612	0.7
187.14780	5.3
189.16393	3.0
191.17981	0.9
197.13354	2.3
199.14856	3.2
201.16486	2.5
203.17937	1.5
205.16141	1.0
211.14894	2.4
213.16537	1.4
219.17514	1.1
227.18025	1.6
231.17487	1.2
239.16212	1.0
241.18083	2.9
259.20706	3.0
271.20602	0.9
275.20139	2.0
287.23715	1.2
299.23816	0.9
305.24966	0.9
313.25287	1.3
327.27036	1.0
329.24615	1.0
331.26111	1.0
333.24261	2.0
393.27127	0.8
405.30063	2.0
407.28174	1.1
407.33054	2.7
419.31613	1.3
421.30258	0.8
425.34116	10.6
443.35263	4.6
447.31354	0.9
457.33273	1.0
499.37799	15.7
517.38983	100.0
518.39044	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03940	1.2
53.23706	0.7
53.73993	0.7
55.01856	1.5
55.05258	1.1
55.05503	11.0
57.03432	4.2
57.07059	1.2
59.05000	0.7
60.02264	0.6
64.64291	0.6
65.03928	1.3
67.05495	21.7
69.07059	11.0
70.14459	1.9
70.14870	1.8
71.04976	1.4
75.09585	0.6
79.05483	14.4
81.07045	27.5
83.04961	1.7
83.08607	5.4
85.06551	1.5
91.05472	14.9
93.07033	20.4
95.04971	2.3
95.08596	22.1
97.06528	2.5
97.10164	3.0
98.21397	0.8
99.08069	1.4
105.07021	18.8
107.08573	13.4
109.06548	1.1
109.10141	10.4
111.08047	1.0
115.05408	0.7
117.06994	4.9
119.08566	16.2
121.10133	12.5
123.08033	1.4
123.11703	2.8
129.06999	2.8
131.08559	13.9
133.10103	14.2
134.10426	0.8
135.08125	1.0
135.11687	7.2
137.09608	1.1
137.13280	1.3
139.43634	0.7
141.07007	1.5
142.07771	0.9
143.08543	4.0
145.10103	11.7
147.11662	7.9
147.58858	0.7
149.09595	1.0
149.13237	5.2
155.08583	2.0
157.10155	4.5
159.11685	9.1
161.13220	4.3
163.14810	2.1
169.10104	1.8
171.11671	4.0
173.13248	6.9
175.14876	2.8
181.10167	0.6
183.11678	1.9
185.13284	3.2
187.14799	3.9
189.16412	1.3
199.14804	2.5
201.16386	2.5
213.16393	1.2
225.16411	1.5
241.18044	2.6
259.20566	1.5
271.20615	0.8
275.20135	0.9
277.21680	0.7
287.23590	1.8
299.23682	2.3
313.25089	1.3
317.24698	1.1
327.26987	0.8
331.26569	1.0
333.24512	1.4
405.30212	1.4
407.28152	1.0
407.33090	3.0
425.34045	9.9
435.31149	0.9
443.35187	3.5
461.36331	0.9
481.36707	1.3
499.37857	15.1
517.38861	100.0
518.39423	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	517.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01862	0.9
55.05504	10.8
57.03440	3.9
57.07057	1.5
65.03931	1.4
65.38911	0.5
67.05495	21.2
68.37676	0.5
69.07058	10.1
70.10722	3.4
71.04976	1.1
78.03577	0.5
79.05484	16.7
81.07044	27.9
83.04981	1.3
83.08613	7.1
85.06533	1.2
91.05466	14.7
93.07031	22.4
95.04957	2.1
95.08595	21.7
97.06512	2.6
97.10162	3.4
97.88139	0.5
99.08055	0.5
103.05486	0.6
104.02261	0.5
105.06319	1.0
105.07018	16.9
107.04883	0.6
107.08578	13.8
109.06498	1.6
109.10144	9.0
111.08075	1.5
111.11654	0.7
116.96737	0.5
117.07008	5.4
119.08559	17.9
121.10123	12.1
123.08033	0.9
123.11673	3.7
125.09630	0.9
128.06201	0.6
129.06975	3.5
131.08553	11.4
133.10107	12.5
135.08006	0.7
135.11685	7.7
137.09590	0.7
137.13206	1.0
139.11183	0.6
141.07014	1.1
142.07835	0.8
143.08508	4.3
145.10107	13.4
147.11661	9.3
147.12708	0.9
149.09624	0.9
149.13217	4.6
155.08488	1.3
157.10094	4.4
159.11681	9.9
161.13261	5.6
163.11252	0.7
163.14780	2.6
165.12692	0.6
167.14290	0.6
169.10121	2.5
171.11656	5.2
173.13235	8.1
175.14796	3.6
177.16344	1.1
181.10016	0.7
183.11702	2.0
185.13216	4.4
187.14790	4.3
189.16422	1.4
197.13240	1.6
199.13239	0.9
199.14841	2.9
201.16437	2.5
205.15971	0.8
211.14822	1.8
213.14677	0.8
213.16434	1.7
217.16100	0.5
225.16321	1.0
229.19456	1.0
235.16881	0.8
241.17662	2.5
245.18993	1.0
245.84048	0.6
259.20520	3.1
261.22098	0.9
263.19971	0.6
271.20630	0.6
273.22092	1.1
275.20227	0.7
285.22205	1.1
287.23615	1.5
289.21567	0.6
299.23773	1.5
301.25299	0.9
303.23019	1.2
305.24939	0.7
313.25241	1.6
317.24744	0.7
319.26459	0.7
325.25357	1.0
327.26788	1.1
331.26501	1.5
333.24234	1.3
334.14246	0.5
335.26169	0.6
343.26102	0.8
345.27612	0.6
355.26556	0.8
361.27408	0.7
378.06390	0.6
391.28964	0.5
397.34833	0.6
405.29910	1.5
407.33035	3.1
419.31677	0.9
425.34140	11.0
443.35321	5.1
447.31296	0.9
461.36835	1.2
491.30917	0.6
499.37833	16.7
517.38849	100.0
518.39343	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3519
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
53.03941	2.9
55.05505	8.8
57.03435	1.4
57.07050	2.3
60.71156	1.1
67.05489	15.2
69.07055	11.6
71.79115	2.4
79.05481	13.4
79.57359	1.1
81.03410	1.3
81.07047	35.1
83.04957	2.0
83.08605	6.5
85.06504	1.5
87.04468	2.2
91.05466	17.4
93.07027	26.1
95.04947	2.0
95.08595	37.6
97.06505	2.4
97.10158	3.3
103.05469	1.8
105.02602	1.2
105.07013	35.0
105.07709	2.1
107.04932	1.2
107.08573	38.2
109.06515	2.4
109.10137	19.9
111.08044	2.1
115.62044	1.3
116.06264	1.7
117.06968	7.5
119.07715	2.8
119.08562	46.1
121.06514	1.4
121.09243	1.7
121.10126	34.9
123.08035	4.5
123.11696	5.6
125.09610	2.0
125.18607	1.5
127.46134	1.2
128.06265	1.1
129.06996	3.5
131.08549	27.5
133.10110	41.7
133.11137	2.4
135.07999	2.8
135.11676	35.4
137.05952	1.2
137.09589	2.5
141.06963	1.4
143.08548	8.0
144.09308	1.4
145.10101	43.5
147.08018	1.8
147.11668	28.7
149.09592	3.0
149.13232	12.2
153.09142	1.5
155.08575	1.9
157.10110	12.2
158.10881	3.8
159.11679	30.1
161.09619	2.6
161.13240	22.6
163.07561	2.0
163.11176	3.5
163.14778	11.7
165.09132	2.4
165.12753	2.0
169.10085	4.0
170.10846	1.8
171.11656	8.9
172.12442	2.7
173.13237	42.3
175.14795	52.9
177.09105	3.7
177.12645	2.8
177.16351	8.2
179.10757	1.3
179.14288	4.7
181.10143	2.0
183.11684	5.2
185.13211	14.1
187.14798	38.5
189.12729	2.3
189.16359	20.7
191.10675	2.4
191.14285	21.1
191.17966	1.5
193.12180	1.5
193.15878	10.8
197.13260	4.1
199.14825	12.7
201.12753	3.2
201.16350	46.5
203.14297	5.0
203.17949	12.7
205.12230	2.6
205.15839	7.2
205.19478	1.7
211.14760	3.9
213.16251	6.8
215.14323	2.9
215.17958	6.1
217.15895	3.6
217.19336	2.3
219.13783	32.8
219.17267	9.8
221.15312	8.6
225.16394	2.3
227.14311	1.6
229.15839	5.7
229.19493	1.7
231.13824	1.4
231.17416	5.6
233.15239	6.9
233.18945	1.8
235.14816	1.6
235.16942	4.0
237.14801	41.5
237.17078	2.3
243.17390	1.9
245.15385	1.9
247.16893	6.4
249.18436	2.8
251.16295	1.4
259.17010	2.3
259.20551	1.7
261.18396	6.6
273.18411	2.0
273.22058	1.8
287.23703	1.6
327.23315	1.8
375.30466	3.8
385.28592	1.4
391.30020	2.2
393.31430	17.0
403.29907	11.9
407.33243	1.5
409.30865	4.2
411.32358	8.7
421.30923	31.7
425.34003	4.3
427.31918	7.6
435.32498	1.7
439.32004	100.0
440.32349	1.6
449.30511	8.1
453.33597	3.0
457.33127	16.4
463.32037	6.7
467.31558	7.4
469.33105	2.8
481.33139	10.8
485.32535	5.0
499.33517	10.7
517.35406	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3519
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
50.99451	1.5
51.02386	1.5
55.05492	6.9
57.07060	2.1
64.21586	1.5
67.05493	11.8
69.07060	9.4
70.52405	1.5
71.49113	4.0
79.05473	6.7
81.07041	20.2
81.10168	1.5
83.04982	1.5
83.08594	7.3
85.06515	1.5
91.05441	9.8
93.07037	15.0
95.04957	2.2
95.08600	26.3
97.06512	2.3
97.10183	1.8
105.07008	19.1
107.07877	2.5
107.08569	22.0
109.06496	2.1
109.10136	16.1
112.99976	2.0
117.06996	5.2
119.08559	24.1
121.10128	23.4
123.08078	4.0
123.11675	11.5
125.09640	2.3
129.06981	8.7
131.08563	11.6
133.06366	1.5
133.10129	19.5
135.07993	2.3
135.11678	23.4
137.13202	4.3
139.11142	6.3
142.07770	1.4
143.08548	8.0
145.10104	18.6
147.08031	2.0
147.11665	13.2
149.09595	2.0
149.13225	9.9
151.11180	2.2
157.10103	12.2
158.10896	1.7
159.11649	13.2
161.13231	9.8
163.11136	3.1
163.14801	9.0
164.88333	1.8
165.12764	2.1
169.10126	3.4
171.11653	11.9
172.12392	1.9
173.13251	21.0
175.14780	18.2
175.16214	2.3
177.16371	3.6
179.10675	4.5
179.14235	1.8
183.11618	3.7
185.13246	6.7
187.14766	15.8
189.16382	12.8
191.14343	3.4
193.12216	1.7
197.13065	1.8
199.14807	23.8
201.16357	24.5
203.18005	1.9
209.13234	2.4
211.14752	3.3
213.16353	16.7
215.17926	39.0
219.13750	4.7
223.14877	2.6
225.16313	5.9
227.17923	36.4
228.18629	2.8
229.19495	12.7
231.13751	2.7
233.15308	3.2
237.14738	3.2
238.83289	1.7
239.17952	9.9
241.19482	37.1
243.20999	3.8
253.19501	10.2
255.20998	4.0
261.18521	2.2
263.17944	2.5
265.19501	3.0
267.21060	1.9
273.18253	1.8
275.20053	9.8
281.22522	1.8
285.18460	1.8
287.20111	7.4
293.22510	4.0
301.21631	8.1
313.21786	2.4
327.23096	3.2
363.30441	12.0
365.32117	3.3
373.28934	9.4
375.30115	2.9
381.31259	1.7
391.29895	33.8
403.29898	2.1
409.30969	100.0
419.29498	4.3
421.30756	6.9
423.32550	15.5
425.34180	3.4
433.31079	7.6
437.30157	4.1
439.32111	8.0
451.31995	39.7
467.31342	2.5
469.33081	48.1
499.34064	3.4
517.38928	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	517.3519
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
50.18338	2.5
55.05493	10.0
57.07081	3.4
67.05489	16.8
69.03403	2.9
69.07054	13.0
69.53201	13.3
69.53631	12.3
79.05479	12.3
81.07046	43.3
82.70835	2.4
83.08619	6.0
83.50613	2.6
91.05457	18.9
93.07024	35.3
95.04963	2.7
95.08595	42.2
97.10162	3.0
105.07013	57.2
107.08582	51.5
109.10147	25.8
111.08057	3.1
117.06995	8.4
119.08568	71.2
121.10127	50.9
123.07999	6.2
123.11692	11.5
125.09644	3.0
129.06981	2.5
131.07599	4.3
131.08531	37.2
133.10107	58.4
135.07991	3.0
135.11668	45.9
137.09625	3.4
142.34782	2.4
143.08554	10.3
144.09309	2.3
145.10097	57.3
147.08133	2.4
147.11658	37.2
149.09570	4.4
149.13252	20.0
151.07542	3.2
157.10091	12.5
158.10826	3.0
159.11665	42.8
161.09586	4.7
161.13243	40.5
163.07489	4.4
163.11171	5.9
163.14790	21.8
169.10123	5.7
170.10788	2.4
171.11667	12.5
172.12395	2.5
173.09680	3.4
173.13234	57.9
175.11261	4.2
175.14801	78.8
177.09119	5.1
177.12735	7.7
177.16345	18.0
179.14291	5.0
181.09920	2.5
183.11673	8.2
185.13226	17.6
187.14789	50.1
189.12685	4.9
189.16373	32.7
191.14305	42.0
191.17984	4.3
193.15869	33.8
195.11731	2.8
197.13187	6.5
199.14838	13.1
201.12611	4.1
201.16374	51.8
203.14290	7.0
203.17932	18.4
205.12228	8.4
205.15877	13.4
207.17393	2.8
209.13481	2.8
211.14734	6.8
213.16351	7.5
215.14235	3.5
215.17871	9.2
217.15863	8.4
217.19429	3.7
219.13808	39.9
219.17256	18.4
221.15334	14.4
225.64265	2.5
227.17990	3.2
229.15854	11.2
229.19476	4.1
231.17415	11.0
233.15300	9.2
234.06848	2.7
237.14827	51.0
245.15457	3.6
247.16925	10.8
261.18466	8.6
348.24127	2.7
375.30402	8.0
381.31418	2.9
385.95853	2.9
391.30026	7.3
393.31570	23.1
403.29797	19.8
409.30902	6.0
411.32578	16.3
421.31021	49.1
427.31943	14.5
431.29626	4.5
433.30841	4.0
439.32050	100.0
445.30899	3.7
449.30408	10.5
451.31949	4.5
453.33578	14.0
457.33035	25.8
463.31848	20.3
467.31451	15.3
469.32999	6.4
471.34351	6.1
481.33127	26.6
485.32196	5.7
499.34073	15.1
517.35052	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	517.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	11.0
57.03431	3.1
57.07050	6.4
67.05496	19.1
69.07047	17.3
71.04972	6.1
71.78725	2.7
71.79125	3.2
79.05479	17.7
81.07043	38.8
83.08591	10.1
85.06532	3.8
91.05462	25.5
93.07033	34.1
95.04924	6.7
95.08590	41.0
97.06510	4.7
97.10171	6.4
104.10715	11.1
105.07008	44.6
107.08573	51.3
109.06560	4.6
109.10141	34.4
111.08047	4.3
111.11702	2.7
117.06983	13.0
119.08572	59.6
121.10126	51.9
123.08029	9.5
123.11692	13.1
125.09609	10.6
129.06985	11.9
131.08534	34.8
133.10112	35.2
135.07976	4.9
135.11681	42.0
137.09581	8.6
137.13229	14.1
141.06961	3.0
142.07742	6.5
143.08531	21.6
145.10104	50.0
145.36447	2.9
147.11682	26.6
149.09534	3.6
149.13254	24.4
151.07506	3.3
151.11174	7.6
151.14828	10.4
153.09041	2.6
153.12630	2.8
155.08517	3.9
156.09285	5.4
157.10130	18.9
159.11659	32.1
161.09547	3.5
161.13239	32.8
163.11154	4.5
163.14796	13.9
165.12843	3.3
167.10623	3.1
169.10107	11.3
170.10809	2.6
171.11678	48.9
173.13226	25.8
175.11093	4.4
175.14786	30.8
177.12753	6.4
177.16364	5.9
178.43416	2.4
179.10677	3.3
179.14278	30.8
183.11655	6.6
185.13251	20.5
187.14790	43.1
189.12776	6.4
189.16360	13.2
191.14288	7.0
193.15927	4.4
195.11688	3.3
195.13823	4.2
197.13225	11.0
197.15073	2.5
199.14819	21.8
201.16347	23.7
203.14333	6.1
203.17754	3.4
205.12224	7.2
205.15839	5.6
207.13782	21.3
209.15331	5.7
210.48141	2.7
211.14812	12.0
213.16356	66.2
214.17088	5.2
215.17950	44.4
219.13756	4.2
219.17352	4.4
221.13290	3.4
221.15363	9.3
223.16873	5.5
225.16360	3.7
227.17825	5.7
229.19495	3.0
233.15234	5.9
237.14684	4.4
239.18111	13.6
241.19464	14.2
243.21031	19.3
247.16913	4.4
253.19405	3.8
255.21164	2.6
259.16879	36.4
261.18411	4.9
289.21539	9.6
333.25757	3.6
375.30356	6.2
379.26190	5.1
380.41684	2.8
393.31445	13.7
403.29892	7.5
405.29916	3.0
421.30954	100.0
423.32477	6.1
435.32434	4.9
439.32043	27.2
453.33618	37.9
459.24643	4.2
467.31631	15.6
471.34174	5.8
481.33044	5.0
499.34088	10.0
517.33667	4.1
517.38757	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	517.3517
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
54.44595	2.4
55.05490	8.3
57.07043	4.1
62.06063	3.2
67.05501	19.7
69.07065	14.9
69.65295	24.9
79.05478	12.3
79.95835	2.6
81.07046	36.2
83.08611	6.2
85.06466	2.8
86.09702	3.1
91.05460	15.3
93.07024	26.5
95.04929	6.1
95.08592	33.9
97.10162	2.7
105.07023	23.4
107.08568	49.8
109.10133	24.8
111.08063	2.8
117.06978	8.4
119.08564	48.5
121.10118	57.8
123.11684	10.7
125.09615	3.2
129.07007	12.1
131.08519	16.6
133.06462	3.2
133.10097	38.0
135.08051	3.5
135.11676	34.1
137.09578	3.9
137.13206	3.7
143.08527	11.2
145.10094	34.7
145.66386	2.8
147.08012	6.0
147.11685	17.0
149.09540	3.0
149.13242	17.7
151.11150	5.6
153.09090	4.3
157.10118	20.0
159.08015	5.3
159.11705	24.8
161.09550	4.5
161.13210	19.3
163.11143	4.8
163.14795	15.3
165.09117	3.6
169.10153	6.2
171.11647	15.3
173.13237	40.6
175.14801	28.1
177.12747	3.1
177.16316	3.9
179.10588	3.7
183.11626	4.6
185.13223	14.1
187.14824	32.8
189.16315	17.7
191.14290	4.3
193.12215	11.3
197.13246	6.2
199.14777	27.2
201.16341	32.7
203.17955	4.1
207.13853	3.6
209.13298	2.9
211.14778	4.8
213.16357	19.4
215.14418	5.5
215.17896	55.4
217.15744	2.9
225.16319	8.6
227.17900	36.3
229.19588	15.4
233.15358	8.3
235.16887	2.7
239.17906	14.0
241.19507	36.1
243.21098	8.5
247.16946	6.3
253.19450	11.3
255.21106	4.1
259.16934	4.3
261.18442	21.2
261.29007	3.1
267.21207	3.9
273.18445	25.7
275.20090	4.5
287.19968	10.6
298.33533	2.8
301.21457	2.7
309.22058	3.6
317.22629	3.3
363.30353	13.5
373.28918	8.4
375.30234	4.8
387.24991	4.6
391.29956	47.7
393.31467	3.7
403.29788	7.3
409.30939	88.2
419.29324	24.3
421.31049	15.7
423.32516	83.2
431.29547	3.6
435.32800	6.5
437.30420	100.0
449.30231	5.0
453.33490	10.4
455.31479	32.2
469.33252	4.5
481.32980	3.7
517.35254	19.3
517.41400	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.2
55.01862	0.2
55.05502	0.2
56.05012	0.5
57.03428	0.3
57.05803	0.8
58.06310	0.3
58.06594	4.7
61.02924	0.2
67.05489	0.5
69.03409	0.5
69.07061	0.3
70.06584	1.1
71.04962	0.4
71.07361	0.6
71.79517	0.2
72.08148	10.1
77.66488	0.1
79.05485	0.3
81.03407	1.5
81.07040	0.5
83.04957	0.2
83.08605	0.2
84.08129	0.4
85.02908	1.0
85.06536	0.8
86.09711	0.3
89.03902	0.6
91.05472	0.8
93.07038	0.4
95.04961	0.3
95.08585	0.8
97.02872	0.4
97.06494	0.3
99.04401	0.3
103.05445	0.3
104.16600	0.1
105.05579	0.1
105.07038	0.7
107.04926	0.3
107.08601	0.4
109.02861	0.6
109.10141	0.4
114.12794	100.0
115.05443	0.2
115.13142	0.7
117.03368	0.5
117.07030	0.3
119.04936	1.1
119.08578	0.9
120.08092	0.2
121.06419	0.1
121.10132	0.3
122.47982	0.2
123.04462	0.2
127.03892	0.5
130.08646	0.4
131.04915	0.2
133.06505	0.2
133.10181	0.7
135.04388	1.8
135.08054	0.2
135.11690	0.2
137.05978	2.3
137.09595	0.5
139.03932	0.2
145.02834	1.6
145.06468	0.2
145.10141	0.2
147.04402	1.2
147.11678	0.2
148.04738	0.1
149.06036	0.3
149.09630	0.2
151.03918	0.3
151.07574	0.2
161.05984	0.4
163.03891	10.8
164.04271	0.3
167.07091	0.2
173.05995	0.4
175.03911	0.9
175.07521	0.2
175.14795	1.2
177.05493	1.0
177.06848	0.2
179.03386	0.6
179.07076	0.2
181.04881	0.2
186.03171	0.4
187.07549	0.2
188.04666	0.2
193.12292	0.1
194.12677	0.1
197.07069	0.2
199.07431	0.2
201.05441	3.3
202.05820	0.2
203.07254	0.2
205.06535	0.2
206.07062	0.2
207.06502	1.4
216.08507	0.2
222.06630	0.1
230.50931	0.2
231.06482	0.2
234.06738	0.4
237.09117	0.1
243.07791	0.2
248.08319	0.2
250.06453	0.3
251.06912	0.2
253.19061	0.4
261.05496	0.1
262.06174	0.3
263.06873	0.2
265.08572	0.3
273.05762	0.1
277.08521	0.7
279.06525	0.2
279.10178	0.2
285.09625	0.1
290.05786	0.4
292.07309	0.2
293.08087	0.3
295.09534	0.2
303.05328	0.2
305.08057	1.0
307.09561	0.3
311.12881	0.4
325.10147	0.7
325.14227	0.2
337.10739	1.4
338.10971	0.2
339.12424	0.2
355.11755	1.6
355.22867	0.1
356.12186	0.2
382.27231	0.3
436.17783	0.2
499.15918	1.0
499.22711	0.2
517.16614	0.9
517.33856	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	517.338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.8
57.05809	1.1
58.06592	6.5
60.08152	1.1
62.06075	0.4
67.05470	0.7
69.03385	0.4
69.07059	7.0
70.06586	0.7
71.07377	0.4
72.08144	15.0
78.82573	0.3
79.05511	0.4
81.07047	1.4
84.08139	1.5
85.04021	0.6
85.06506	0.3
86.09695	66.5
87.10051	0.4
91.05455	0.6
95.05012	0.3
97.06536	2.7
107.04944	0.4
109.02874	0.3
109.10163	0.6
112.03939	0.5
113.10761	1.3
114.12790	100.0
119.04959	0.4
119.07301	1.8
130.12238	2.0
131.08548	0.4
132.08095	0.5
134.06001	6.2
135.06787	4.9
136.07553	1.1
137.05989	0.5
138.09116	0.9
141.10223	1.6
145.10120	0.4
146.05948	0.5
147.11702	0.4
158.11748	34.5
159.06754	0.5
159.12088	0.5
160.07613	1.2
166.08621	2.7
166.15938	0.8
173.16553	0.4
174.05542	1.0
174.12775	0.4
175.14413	0.7
180.13869	0.6
182.15366	0.7
185.09540	0.5
189.11546	0.6
190.12227	4.0
200.10666	0.9
201.05435	0.5
202.12262	5.8
208.13342	0.7
210.14952	0.9
212.10643	0.7
214.05011	0.5
229.13362	0.4
230.11739	2.3
248.15187	1.8
249.15942	3.2
251.17577	0.5
261.15958	5.0
261.97507	0.4
269.18561	2.3
279.16980	1.5
301.15405	2.7
303.20355	0.4
315.20706	1.2
336.20526	0.8
343.20270	0.6
358.21292	0.4
382.27011	1.0
386.24515	0.4
404.25455	1.4
414.23849	8.4
415.24002	0.5
456.28616	6.4
457.29376	2.6
458.30118	0.5
517.33813	48.5
518.34283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3154
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.05514	9.1
67.05495	26.4
69.07059	12.4
69.66615	3.0
70.06551	3.7
71.78833	4.1
71.79208	4.2
79.05482	13.1
81.03399	5.7
81.07040	25.2
83.04986	5.2
83.08604	8.9
91.05482	19.9
93.07046	24.4
95.04924	3.8
95.08601	28.1
97.06501	5.8
97.10166	3.9
105.07026	29.3
107.08585	30.1
109.06469	3.8
109.10159	20.0
117.07028	8.4
119.08570	47.9
121.10130	32.6
123.08040	4.2
123.11708	7.0
129.07034	8.1
131.08557	26.1
133.10083	21.7
135.08012	6.8
135.11676	16.8
143.08540	12.2
145.10106	26.2
147.08032	6.7
147.11668	16.8
149.09564	4.4
149.13246	14.1
155.08606	4.9
157.10129	15.2
158.10902	3.5
159.11670	17.4
161.13206	14.9
163.11211	5.3
163.14813	13.5
169.10106	9.1
169.64835	3.3
170.10962	4.4
171.11652	15.3
173.13242	39.6
175.14795	19.6
177.12747	3.7
177.16327	4.6
183.11728	9.7
185.13222	24.9
187.11188	4.2
187.14775	40.2
189.12708	7.0
189.16296	13.8
191.14333	25.7
193.12354	3.3
195.11671	5.2
197.13278	11.4
199.14816	11.7
201.12761	4.9
201.16403	14.4
203.14346	6.9
203.17928	4.5
205.15831	5.1
207.13806	5.9
209.13254	4.3
211.14854	6.3
213.16324	12.2
215.14323	9.9
215.17928	11.4
217.15883	4.5
219.13745	4.3
225.16376	7.2
227.17918	8.1
229.15823	3.1
233.15280	14.0
239.17929	6.7
241.19661	7.8
243.17336	4.4
255.17447	3.3
259.16849	4.3
261.18561	4.8
265.19540	3.2
273.18564	4.9
285.18604	3.2
293.18973	3.6
293.22833	3.1
309.25687	4.0
355.26630	3.7
361.28876	11.6
379.29901	8.4
389.28314	14.1
391.29889	12.2
393.24017	3.5
399.25571	7.4
407.29315	46.3
409.31015	10.2
417.27670	10.1
419.29178	4.5
425.30466	30.1
435.28839	32.0
437.30710	5.0
453.29910	100.0
463.28220	14.8
471.31113	26.5
481.29483	60.3
499.23547	6.3
499.30499	91.7
517.26556	3.8
517.32007	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	517.3156
Annotation	Adynerin
Peak:m/z	Relative Intensity
55.05492	10.3
57.03431	32.1
57.07061	6.2
67.05494	19.2
69.07059	25.1
70.06021	10.5
70.06458	9.4
79.05476	11.8
81.07049	40.8
83.04979	3.5
83.08613	15.8
89.05988	4.5
91.05466	16.3
93.07027	27.6
95.08603	35.3
97.10124	4.4
105.07019	41.4
107.08584	58.3
109.06481	4.6
109.10158	33.7
111.08078	8.6
117.06996	18.7
119.08566	53.5
121.10120	52.5
123.08033	4.6
123.11691	45.6
125.09613	46.7
129.06984	13.6
131.08554	40.1
133.10109	32.9
135.11632	18.8
137.09508	3.4
137.13234	9.4
139.11131	5.7
139.98903	3.9
142.07785	3.9
143.08533	26.6
144.09305	3.5
145.10101	39.5
147.08041	5.5
147.11656	24.8
149.09601	9.5
149.13254	19.0
151.11189	6.3
151.14825	4.4
153.09084	31.1
155.08545	19.2
156.09288	4.2
157.10106	36.8
159.08038	3.0
159.11659	33.5
161.13203	31.1
163.14787	12.2
165.12718	8.4
167.08495	4.2
167.10687	5.8
167.14305	7.9
169.10117	29.8
171.11653	45.1
173.09616	4.0
173.13245	45.6
175.14789	14.2
177.16254	4.6
181.10077	10.9
182.10878	4.5
182.85916	3.1
183.11717	32.9
185.13243	30.9
187.11203	3.5
187.14789	27.7
189.12732	5.8
189.16408	5.8
191.14494	3.4
193.10495	4.1
193.12187	24.3
195.11656	12.8
195.13722	6.6
197.13258	25.2
199.11208	4.6
199.14777	31.8
201.12764	5.8
201.16348	24.3
203.14168	3.6
207.11714	5.3
207.13739	7.5
209.13232	12.2
211.14694	20.5
213.12770	3.8
213.16319	39.8
215.14276	9.3
215.17935	17.8
219.13785	7.2
221.13249	4.2
223.14780	12.5
225.16331	36.4
227.14354	4.3
227.17905	31.5
229.12186	4.5
229.19456	5.6
231.13850	5.3
235.14777	7.4
237.16354	16.1
239.17978	18.2
241.19463	13.6
243.13853	5.2
245.15359	10.4
245.18718	3.5
247.16913	10.2
249.16202	5.0
251.17952	7.3
253.15823	4.2
253.19447	14.9
255.21147	4.7
259.16953	17.0
259.36038	2.9
261.18372	7.6
263.17892	10.2
265.19388	9.4
267.21228	6.7
269.15451	3.7
271.16904	7.8
273.18512	10.5
277.14398	19.3
277.19556	4.9
279.21072	5.3
283.16937	4.7
285.18573	4.4
291.21091	4.7
293.22647	4.8
297.18564	4.7
299.19995	4.5
305.22583	11.8
307.24176	6.0
309.25851	6.4
311.20105	4.4
313.21536	4.2
323.19925	6.2
323.27280	4.1
325.21356	4.7
337.21591	4.4
339.23105	5.0
347.27197	16.4
349.28912	6.0
351.23056	8.7
355.26321	6.7
365.28195	9.8
375.26859	19.9
377.28168	4.5
379.22601	9.7
383.29544	9.1
391.30051	6.8
393.22964	6.1
393.27835	100.0
394.28262	4.4
395.29419	95.1
397.23404	5.6
401.27341	5.0
403.25943	11.6
407.29294	12.2
409.30981	5.4
411.28836	25.7
419.29440	6.2
421.27414	52.9
423.28857	5.1
425.30280	11.7
437.30444	12.2
439.28375	87.0
440.28638	6.0
441.29868	10.6
449.26880	12.2
453.29910	8.1
455.31628	12.0
457.29361	28.5
465.29742	4.0
467.27899	61.6
471.31073	6.2
478.49176	4.1
485.28961	25.7
499.30740	4.8
517.31836	7.4
518.34094	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	517.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	26.1
56.96832	1.0
57.03418	2.0
61.02905	2.5
69.03423	5.8
70.06580	2.3
70.53188	1.5
70.53587	1.8
70.98106	9.5
72.08147	1.8
73.02896	2.5
74.97593	3.6
80.16699	0.8
81.03400	2.5
81.78395	0.7
84.08125	1.3
84.95998	1.3
85.02891	15.6
86.03225	1.1
86.09734	0.8
86.35561	0.8
87.04452	1.8
88.99146	16.0
91.03889	0.8
94.06545	3.0
94.93010	0.9
96.08111	9.7
96.29202	0.7
97.02896	6.6
97.08421	1.0
98.97565	100.0
99.04408	1.9
101.00867	1.8
104.07088	1.8
107.00179	6.4
109.02850	1.6
110.97544	12.5
110.98256	1.3
112.99123	3.0
114.09155	29.4
115.03892	0.9
115.09490	5.1
116.98605	71.4
119.01893	4.8
121.03347	0.9
123.58506	0.7
127.02371	1.3
127.03904	6.5
128.98584	24.0
130.08580	1.8
131.00179	6.3
131.01866	4.2
132.02061	1.2
134.99637	27.1
137.06027	1.0
138.05464	1.3
139.04070	0.7
140.00180	3.5
143.00117	1.1
143.01875	3.2
145.01665	1.0
145.03558	5.8
145.04938	4.9
146.99625	21.0
149.01207	5.4
153.00667	2.8
155.01791	4.6
156.01949	0.9
156.98027	5.7
157.03426	3.9
158.01315	1.6
158.99629	35.1
160.09682	3.1
161.01215	1.1
161.02936	3.9
163.02678	1.3
163.04076	1.0
165.00690	2.6
167.02097	1.2
167.07040	1.5
170.01270	1.1
170.04904	2.9
170.99620	17.9
171.01103	1.0
171.05176	1.3
172.06471	1.9
173.01204	11.8
173.02946	6.5
173.06805	1.7
174.99132	37.5
175.04434	2.0
176.01070	3.0
177.00681	30.4
177.05487	1.0
183.05031	1.8
185.02939	4.2
187.02771	0.8
188.05930	2.7
188.97070	1.6
189.00684	30.1
189.06255	0.9
190.07503	3.5
191.02266	29.1
191.03929	3.0
191.07724	1.3
193.00182	69.2
195.01784	2.0
195.04956	1.0
197.02896	1.3
198.00510	1.0
198.04442	2.4
199.04684	1.2
200.02383	1.3
200.04305	1.4
200.07649	4.4
201.00650	7.4
201.02344	1.5
202.98587	1.5
203.02202	2.8
203.04028	3.2
205.00177	1.8
207.01685	7.1
209.03307	4.8
211.01234	10.3
212.02179	2.0
214.03897	2.0
216.01794	2.2
216.05409	12.1
217.00146	33.9
217.01950	5.1
217.05568	4.1
218.08667	1.2
219.01733	26.0
219.03773	1.3
219.05075	1.1
221.03238	2.0
221.05107	1.2
229.00232	2.5
229.02092	1.6
230.98082	2.2
231.01779	3.6
233.03195	5.3
234.06488	8.9
235.01208	81.9
235.06683	3.6
237.02789	15.0
237.06346	1.0
242.08609	0.9
243.01932	1.1
244.99722	0.9
245.02953	1.5
245.05287	4.5
246.05182	2.2
247.01138	28.3
247.05035	1.3
248.99170	1.2
249.02779	9.1
253.02222	10.9
255.03851	2.7
256.07071	1.0
257.04984	1.0
258.02689	4.7
261.02792	3.8
263.00803	1.7
263.03781	1.0
263.06299	2.0
264.07629	2.3
264.57907	2.2
265.02271	29.6
265.05145	2.0
265.07889	3.3
272.06451	1.5
273.08270	2.0
277.02139	13.2
279.00714	2.0
279.03818	38.1
281.06989	3.9
283.03598	1.1
288.03949	2.7
291.03812	5.0
293.05392	1.3
295.03424	2.5
295.06549	1.8
295.14920	3.8
296.15182	6.6
297.04855	1.6
301.15506	0.9
305.01697	1.0
305.07047	1.4
307.03235	6.4
309.04895	15.3
311.14609	2.1
318.04825	1.1
321.04849	2.7
324.14767	1.1
335.03116	0.9
337.04291	97.7
339.05832	2.2
339.12488	1.0
340.12448	4.2
341.15509	9.3
342.15765	16.4
343.15228	1.3
354.60483	1.1
355.05118	7.4
355.08963	3.4
357.13202	9.5
358.13562	16.1
362.09698	1.8
365.03873	3.8
365.08768	1.5
373.09726	5.9
378.06943	2.5
397.09695	3.6
399.07446	0.9
415.10519	0.9
417.07022	2.0
425.11243	1.0
444.63083	1.0
517.11871	13.6
517.23010	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	516.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95240	0.3
67.05487	0.5
68.05008	0.6
69.03412	0.4
69.07053	0.2
70.06514	2.0
78.04726	0.2
79.05475	1.1
79.49742	0.3
80.05016	0.3
81.05778	1.8
81.07030	0.3
82.06546	0.5
83.04972	1.6
90.04637	0.4
91.05460	0.9
94.06542	1.1
95.04969	0.6
96.08119	4.1
100.74057	0.2
105.07100	0.3
107.04919	0.6
108.05746	0.3
108.79301	0.2
109.02870	0.4
109.06506	0.5
114.09153	63.2
115.09501	0.7
121.06534	0.3
123.04423	0.6
130.08640	0.5
136.05176	0.5
137.05959	3.0
138.06743	1.7
145.02773	0.3
148.05173	10.5
151.03883	1.3
163.03839	0.4
165.05447	0.5
166.06244	0.7
172.09612	0.3
174.11258	3.2
177.05502	0.7
181.08572	100.0
182.08902	2.6
201.05489	0.7
216.35620	0.3
220.19786	0.3
318.15585	1.6
327.75443	0.3
516.24310	46.1
517.24463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55107	0.4
56.96544	3.4
64.08146	0.5
68.35815	0.4
69.97919	1.0
69.98338	1.7
70.98112	1.0
88.99123	0.4
94.06568	1.6
96.08118	5.9
98.20717	0.5
103.47601	0.4
114.09147	19.7
132.02115	0.5
135.93205	0.4
152.03848	1.7
153.26138	0.4
154.05493	0.6
160.09705	0.8
170.04866	15.3
172.06438	14.6
172.07948	0.4
176.01056	0.9
188.05928	14.0
190.07481	19.2
193.06458	0.5
198.04329	16.7
198.43365	0.4
200.07693	0.9
206.06979	1.0
208.08496	1.5
216.05412	71.4
217.05772	0.5
218.08835	0.5
234.06450	32.9
239.06952	2.2
252.07513	1.0
257.08209	0.5
293.13788	0.7
295.14984	6.1
311.12592	7.0
322.64395	0.5
323.14426	1.2
329.13678	0.5
339.08109	0.8
339.12210	17.2
341.15512	14.2
342.15488	0.8
357.13235	100.0
358.13605	1.4
375.14426	4.6
398.15884	0.6
516.22235	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	515.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01862	3.6
55.05259	1.1
55.05503	11.8
57.03433	4.0
57.07057	2.2
59.04992	1.0
65.03922	2.2
67.05493	38.8
68.18964	0.6
69.03423	1.7
69.07053	13.0
71.01331	1.7
71.04976	2.8
79.05479	33.7
81.03413	2.3
81.07043	27.9
83.04971	7.9
83.08604	4.9
85.06529	1.9
91.05466	19.6
93.07028	42.6
95.04955	6.5
95.08587	17.7
97.06500	5.8
97.10154	5.2
98.20640	1.6
104.14894	0.7
105.06332	0.7
105.07015	11.3
107.04962	1.1
107.08577	25.3
109.06531	1.1
109.10137	9.5
111.08067	2.5
115.64138	0.6
117.07008	6.5
119.08569	11.6
121.06495	1.0
121.10124	12.7
123.11669	1.7
125.09632	1.2
129.06976	1.9
131.08556	9.3
133.10117	7.8
135.11673	28.2
136.34439	0.7
137.09631	1.1
141.06940	0.8
143.08516	3.2
145.10107	10.4
147.11685	4.6
147.16011	0.7
149.13274	2.4
153.12735	3.2
155.08542	1.3
157.10095	4.7
159.11656	6.3
161.09659	0.7
161.13242	3.1
163.11169	2.9
163.14764	0.9
169.10083	1.2
171.11623	3.1
173.09586	0.6
173.13283	4.4
175.14799	2.2
181.10030	0.8
181.12209	5.5
181.42749	0.7
183.11526	1.5
185.13268	2.7
187.14799	2.0
195.11655	1.6
197.13272	1.3
199.13249	0.9
199.14850	1.5
201.16415	1.3
211.14828	1.4
225.16415	0.8
241.19391	0.8
243.21097	1.7
261.22064	3.6
315.23007	0.7
317.24609	1.6
405.31454	1.4
423.32455	5.0
441.33658	2.1
487.72604	0.7
497.36377	2.8
515.37262	100.0
516.37622	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	515.3726
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
55.05508	20.6
55.20745	8.0
57.03428	7.3
57.07084	12.2
58.29276	7.7
67.05502	49.9
69.07069	33.6
70.99181	13.1
70.99517	13.5
72.85190	7.4
74.31171	9.4
75.34770	7.8
79.05489	24.6
79.06860	7.9
81.07038	53.8
82.81282	8.1
83.08615	16.8
91.05485	35.1
93.07018	46.2
95.08582	70.4
97.10116	10.1
105.07011	78.2
107.08604	66.9
109.10165	51.7
117.07033	10.8
119.08582	85.4
120.38875	9.5
120.78898	10.1
121.10151	70.4
123.11708	21.3
130.58266	9.8
131.08594	27.8
133.10107	67.4
135.11632	71.1
136.64558	9.3
145.10143	39.1
147.11664	58.5
149.13281	27.8
157.10101	13.5
159.11690	22.0
161.13284	46.8
163.14871	32.7
169.10222	8.7
171.11710	14.5
173.13280	20.4
175.14842	34.5
177.16367	71.6
185.13219	10.3
187.14847	21.5
189.16289	41.6
191.17961	27.1
201.16351	45.5
203.17915	100.0
213.16527	9.1
215.18002	16.3
281.22876	10.1
327.22998	11.0
391.33920	10.9
437.34106	98.1
514.51367	10.2
515.38092	56.8
515.51526	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	515.3726
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
55.05498	28.8
57.03415	4.7
65.03922	5.4
67.05499	54.3
69.07052	32.2
79.05487	45.9
81.07037	53.5
83.08621	29.5
85.06517	5.4
85.98611	4.0
91.05459	38.1
93.07033	72.8
95.04977	6.0
95.08594	92.9
97.06517	5.5
97.10162	7.3
104.94965	4.2
105.07007	76.6
107.08572	88.5
109.10144	73.9
116.14664	4.9
117.07024	17.7
119.08561	91.1
121.10133	74.7
123.11687	33.3
129.06979	11.1
131.08521	36.3
133.10107	89.6
135.08080	6.4
135.11665	100.0
135.12639	8.5
137.13251	9.4
143.08537	16.0
145.10107	43.6
147.08003	4.4
147.11678	71.8
149.13261	39.8
155.08461	6.4
156.09335	5.1
157.10081	27.6
159.11629	45.7
161.13232	42.9
163.11150	6.1
163.14806	37.7
165.09145	5.8
169.10121	13.3
171.11702	26.8
173.13235	35.7
175.14803	51.8
177.16354	58.4
183.11688	12.2
185.13202	25.6
187.14812	38.4
189.16353	50.5
191.17950	13.5
194.80698	5.1
197.13249	13.6
199.14748	47.7
201.16377	43.2
203.17908	91.4
211.14818	10.9
213.16455	23.0
215.17920	29.6
217.15926	7.3
217.19521	11.1
219.13814	6.3
221.13332	5.4
221.15578	4.5
225.16338	6.2
227.17975	14.3
229.19569	7.7
231.17308	6.2
233.15474	6.4
235.16820	5.8
239.18047	10.6
241.19543	8.5
243.17416	5.7
249.18561	5.9
253.19579	8.0
255.21059	5.6
259.16882	15.5
261.18250	5.6
267.21088	10.5
273.18204	9.8
281.22665	6.3
296.19827	4.8
313.21353	7.4
363.30423	10.0
373.28973	10.9
391.33612	11.7
401.28265	13.9
409.30978	20.6
419.29526	31.1
423.32596	21.5
433.31033	6.0
437.34695	69.6
451.31488	10.4
461.30334	12.4
469.33148	9.6
479.31485	18.4
497.32578	16.2
502.19836	4.4
515.37640	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.2
58.06590	14.1
59.07372	6.4
60.08152	31.4
67.05485	0.3
69.07054	5.9
69.07420	0.4
70.06558	0.2
71.04999	0.3
71.08624	0.5
72.04522	0.3
72.08154	0.7
73.04041	0.5
79.05495	0.4
81.07058	1.0
82.06570	0.5
83.08617	0.3
83.99954	0.2
84.08125	2.9
85.04002	1.9
85.06547	0.3
86.09690	27.6
87.95819	0.2
91.05499	0.5
93.07014	0.2
94.27738	0.2
95.04971	0.4
96.04482	1.7
96.08098	1.3
97.06521	2.5
98.09693	0.4
99.01896	0.2
100.07594	0.3
100.11230	1.7
105.07066	0.3
106.06561	0.2
110.06051	0.5
110.09703	0.3
112.07564	0.2
113.10745	2.0
114.09157	2.2
114.12797	2.4
118.06534	0.3
119.04924	0.3
119.07291	2.7
120.08072	0.2
124.07555	1.3
126.09153	0.4
128.26656	0.2
130.06548	0.5
131.04932	0.5
131.07346	0.4
132.08066	1.1
134.05989	7.9
135.06805	0.9
136.07555	0.7
138.09111	6.9
138.10127	0.4
141.10199	3.3
146.05981	0.5
148.07593	0.2
152.14340	0.5
152.95171	0.2
154.15872	3.2
156.13823	0.2
157.10095	0.4
159.06819	0.3
160.07552	1.3
162.05557	0.2
173.09651	0.7
173.16466	10.8
174.05539	0.4
174.12842	0.5
180.13795	1.9
181.14616	0.9
182.15428	0.6
185.09637	0.5
190.12244	4.4
190.13835	0.3
199.18065	0.5
200.10660	2.0
202.12233	6.0
208.13194	0.3
212.10733	0.6
217.13379	0.6
228.10165	1.0
228.27966	0.2
229.13428	0.2
230.11667	0.5
239.17522	1.1
239.21188	0.8
241.22830	0.8
247.14421	0.4
255.32410	0.2
267.20645	0.3
273.16022	0.3
287.21048	1.0
313.19092	0.7
315.20538	2.2
329.21548	0.2
330.21640	0.3
343.20303	0.3
358.21429	0.3
400.29578	1.5
428.29050	0.4
456.28568	3.2
487.36343	15.3
488.36520	0.3
515.35858	100.0
516.36163	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	515.3363
Annotation	11-Ketofusidic acid
Peak:m/z	Relative Intensity
53.03940	3.7
55.05505	16.5
61.56332	2.9
67.05499	29.0
69.07054	23.3
71.01239	8.1
71.01604	6.2
71.04992	3.4
76.51463	3.0
78.35874	2.9
79.05476	20.2
81.07049	46.1
82.54897	3.2
83.04935	3.7
83.08608	10.9
91.05460	28.3
93.07019	37.0
95.04955	8.6
95.08593	60.7
97.10185	3.1
102.29807	2.9
105.07011	53.6
107.08580	69.0
107.50034	3.3
109.06515	8.0
109.10141	36.2
111.08086	6.6
116.41304	3.1
117.06993	14.2
118.95647	3.2
119.08571	74.9
121.10127	55.3
123.08070	11.1
123.11691	15.7
129.06993	17.4
131.08557	37.3
132.00342	3.4
133.06451	4.5
133.10123	58.2
135.08049	10.9
135.11667	47.4
137.09644	6.7
137.13268	5.1
141.07025	4.1
142.07761	5.7
143.08554	23.6
145.10109	46.5
147.08092	6.1
147.11661	61.2
149.09547	5.0
149.13240	29.7
149.99774	3.2
151.07578	5.4
151.11223	7.0
155.08559	11.6
156.09297	5.3
157.10115	33.3
158.10898	6.6
159.08125	5.8
159.11678	51.1
161.13228	47.0
163.11134	19.0
163.14801	22.5
165.09087	9.7
165.12798	12.2
169.10167	17.6
170.10876	4.9
171.08049	3.7
171.11696	39.9
173.13234	58.0
175.11212	7.2
175.14799	64.4
177.09119	4.2
177.12729	10.1
177.16435	8.2
179.08488	4.1
181.10204	6.1
182.10857	6.3
183.11668	19.6
185.09636	6.1
185.11803	6.1
185.13231	27.7
187.11166	4.7
187.14810	28.6
189.12700	12.6
189.16354	16.7
191.10730	4.3
191.14246	21.8
193.15889	8.7
195.11671	11.2
197.13269	19.0
199.11255	4.7
199.14821	51.8
201.12790	5.4
201.16356	45.3
203.14304	11.3
203.17937	9.2
203.31241	4.2
205.12215	5.7
205.15839	3.4
207.13823	4.9
209.11678	12.2
209.13344	8.2
209.15172	4.5
211.14854	12.1
213.12793	6.0
213.16382	24.2
215.14388	7.2
215.17934	14.9
217.12308	5.7
217.15886	25.3
219.11806	5.5
219.13754	27.6
221.13350	4.1
221.15314	4.6
223.14857	13.4
225.12764	5.3
225.14519	5.1
225.16438	14.7
226.17079	4.2
227.14316	8.6
227.17824	15.8
229.15912	6.1
229.19588	6.4
231.13826	5.7
231.44452	3.9
235.14915	4.5
237.14668	28.6
239.17899	11.6
241.19505	13.2
243.17267	4.3
243.21019	10.1
245.15376	11.0
245.18990	3.8
251.17932	7.7
253.19530	12.9
255.21205	6.0
257.15515	4.0
259.16928	9.3
261.18503	4.7
263.16425	5.2
265.19638	7.9
267.21100	36.1
273.18607	5.1
277.19659	7.1
285.22128	4.1
295.20401	21.2
312.89551	3.7
313.21475	28.3
327.23175	4.3
331.22604	11.3
363.23193	4.9
373.28796	9.2
383.27213	6.4
391.29922	27.8
393.31693	5.8
400.31674	3.6
401.28247	25.2
409.30933	14.8
419.29385	54.6
423.32559	6.6
427.32019	8.1
429.27979	9.1
433.30875	14.0
437.30499	100.0
447.29028	20.0
451.32007	48.7
453.33508	7.2
455.31400	26.8
461.30472	22.7
465.29999	19.8
469.33096	39.0
479.31516	67.7
483.31149	8.3
497.32513	79.7
515.34009	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	515.3362
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
55.05495	10.5
57.03422	3.1
58.81648	2.5
65.03934	2.9
66.99743	2.8
67.05492	24.3
69.03423	3.3
69.07063	24.5
70.14217	4.9
70.14633	9.2
71.04992	4.9
74.64675	2.1
76.47162	2.2
79.05477	20.3
81.07046	43.5
83.04952	3.2
83.08582	6.2
83.28934	2.5
85.06577	2.4
88.23000	2.4
91.05463	32.0
93.07027	46.4
93.07574	4.2
95.04958	7.5
95.08590	67.9
97.06471	4.6
97.10159	6.3
105.07018	53.6
107.08574	65.3
109.06466	3.9
109.10143	31.5
111.08072	4.3
117.06985	18.6
119.08566	77.5
121.06487	3.5
121.10124	65.6
121.63103	2.3
123.08073	8.9
123.11673	16.1
125.09599	2.6
128.06229	4.9
129.06981	14.4
131.08540	45.2
132.19032	2.4
133.06474	6.3
133.09157	4.7
133.10117	58.9
135.08047	9.1
135.11676	37.9
137.09628	8.3
137.13234	5.5
137.44077	2.3
139.07549	3.0
139.11153	8.1
141.06943	3.7
142.07813	4.4
143.08543	28.5
144.09290	3.5
145.10098	51.4
147.08034	9.8
147.11668	49.3
149.09608	6.0
149.13237	23.2
151.11182	6.4
153.09059	2.4
153.12761	5.3
155.07106	4.4
155.08539	10.9
156.09364	5.8
157.10149	35.2
158.10904	5.5
159.07983	4.4
159.11664	49.6
161.09630	10.4
161.11974	2.6
161.13232	37.8
163.11150	22.1
163.13553	4.4
163.14728	16.9
165.09045	6.1
165.12723	11.1
167.14336	6.5
169.08711	4.8
169.10162	13.5
170.10872	4.4
171.11674	44.6
173.09596	3.8
173.13243	65.2
175.11188	10.0
175.14784	50.7
177.12698	6.3
177.16364	4.0
179.08420	2.8
179.10777	2.8
179.14270	3.2
181.10110	5.4
182.10841	3.9
183.10190	4.8
183.11606	21.0
185.09618	4.1
185.13220	37.1
187.11188	3.3
187.14803	32.5
189.12704	12.0
189.16386	14.2
191.10643	4.8
191.14270	16.8
193.15794	7.4
194.10939	3.2
195.11673	8.8
197.13231	23.1
199.11104	2.9
199.14795	44.0
201.12743	4.9
201.16359	29.9
203.14293	10.0
203.17952	6.4
205.12209	5.0
207.11792	3.7
207.13776	5.5
209.11539	4.2
209.13239	9.3
211.13179	4.1
211.14854	16.7
213.12848	3.7
213.16357	17.2
215.14334	4.9
215.17903	17.3
217.12315	5.1
217.15874	14.9
219.13763	21.4
221.13309	4.3
221.15344	4.5
223.13126	6.8
223.14871	8.7
225.16389	19.2
227.14307	4.7
227.17909	20.7
229.15866	3.0
229.19487	7.0
231.13882	3.1
231.17520	3.2
233.15358	14.7
235.14920	4.8
237.14709	6.8
239.14297	3.2
239.17882	10.2
241.15842	4.0
241.19508	10.2
243.13919	4.2
243.17329	4.8
243.21156	7.2
245.15317	11.3
245.18947	2.8
247.16953	5.7
251.16223	6.3
251.18370	3.6
253.19505	9.9
254.20142	2.7
255.21251	5.3
257.15369	3.8
257.18979	3.1
259.16962	12.4
261.18576	2.9
263.16296	4.5
265.19376	6.8
267.21057	30.8
269.19119	4.8
271.16928	5.4
273.18427	10.0
277.19470	5.5
279.21118	3.5
283.16919	2.9
285.18591	5.1
285.22247	4.3
287.20093	4.6
289.21759	6.0
291.19952	3.0
293.22501	3.8
295.20456	13.0
299.20001	4.9
311.20187	2.7
313.21500	8.4
327.23016	11.8
337.21509	3.2
345.24246	7.2
373.28851	15.7
375.30530	5.6
383.27112	3.2
391.30145	15.6
393.31424	28.2
401.28357	16.6
403.29929	8.3
404.70114	2.9
407.29398	3.0
409.30972	10.2
411.32578	11.1
419.29456	62.1
421.31073	32.9
429.27957	3.8
433.30963	6.1
437.30444	91.1
439.32059	9.3
447.28885	33.4
451.32144	16.4
453.33530	9.4
455.31479	20.9
461.30075	3.9
465.29968	55.6
469.32904	14.1
469.84860	3.1
479.31387	11.9
483.30981	100.0
484.31158	3.2
489.92892	3.0
497.32645	24.0
501.31888	6.5
515.32367	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.05501	15.1
57.07064	4.1
64.38730	3.9
66.06112	3.9
67.05492	35.2
69.03386	6.4
69.07048	25.5
70.92446	10.8
70.92846	9.7
72.04488	4.6
79.05479	43.1
81.03417	8.4
81.07037	62.1
83.08616	14.9
86.09695	8.8
91.05476	51.4
93.07032	67.8
95.04956	14.5
95.08593	69.4
95.52168	4.1
97.10165	8.6
105.07014	76.5
107.04932	6.0
107.08575	90.7
109.06456	10.2
109.10146	44.7
115.05408	6.5
117.07011	24.1
119.04936	7.9
119.08559	74.3
121.06498	15.0
121.10130	59.8
123.04470	6.1
123.11668	14.1
128.10713	19.3
129.07008	20.0
130.07759	7.0
131.08562	49.1
132.86458	5.0
133.06520	7.7
133.10117	59.6
135.08066	18.3
135.11674	40.1
137.05948	8.9
137.13248	4.5
141.06911	9.6
142.07796	8.1
143.08519	30.3
144.09372	5.4
145.06479	7.6
145.10121	59.8
147.08051	10.3
147.11649	44.2
149.05959	8.8
149.09598	5.8
149.13206	21.0
155.08505	14.4
156.09230	5.5
157.10098	46.4
159.08086	7.7
159.11676	63.8
161.09579	12.8
161.13261	31.6
163.07494	15.3
163.11209	10.0
163.14818	26.5
165.05472	19.1
165.06847	4.7
167.07045	17.0
168.09361	6.3
169.10091	28.7
170.10986	4.7
171.08044	7.7
171.11662	43.3
173.09634	4.3
173.13225	35.2
175.11186	9.1
175.14806	15.7
177.09145	5.7
177.12775	5.3
177.16322	21.8
179.07013	12.6
181.08571	29.2
181.10007	7.9
183.11676	23.8
185.09645	9.7
185.13254	29.9
187.11180	12.4
187.14819	25.0
189.12701	13.0
189.16351	18.8
191.10661	11.0
191.14275	6.4
195.11705	13.4
197.13194	26.8
199.11191	8.4
199.14821	21.0
201.12688	8.0
201.16338	16.0
203.10556	7.5
203.17949	13.3
205.12202	14.2
207.13892	6.5
209.13277	18.5
211.11099	5.7
211.14842	18.3
213.16426	18.2
215.17937	28.6
217.12242	10.9
219.13805	14.2
223.14803	7.8
225.12621	5.9
225.16351	10.8
227.14378	7.4
227.17906	13.2
229.12265	4.9
229.15869	8.1
229.19492	9.3
231.13811	12.0
233.15309	7.2
237.16414	6.4
241.19391	8.6
243.13815	4.8
249.18590	5.6
251.17857	7.5
253.19479	7.5
255.21117	11.9
257.22726	6.1
261.18585	6.3
263.14212	7.0
267.17053	8.4
267.20831	20.6
269.22501	7.3
271.16849	7.1
279.20895	5.6
281.22809	6.5
287.20013	9.7
299.20316	6.1
303.23303	9.2
313.21579	10.4
367.26013	5.7
373.28958	19.6
383.26996	4.7
389.28397	16.3
391.29837	25.4
401.28308	29.4
407.29449	27.4
409.31186	7.5
411.26776	5.5
417.27823	16.5
419.29453	100.0
421.31009	5.5
423.29245	6.7
425.30344	6.1
429.27911	25.3
433.30890	19.8
435.28961	32.9
437.30533	99.4
439.32367	6.9
443.29263	4.9
447.28931	68.6
449.30319	6.9
451.32144	28.7
453.29840	8.5
455.31641	16.5
461.30316	13.9
462.29651	6.2
465.29959	72.0
467.31400	19.2
469.33075	9.6
479.31485	44.2
483.31137	21.0
497.32712	35.3
515.30859	17.2
515.39319	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	515.3221
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
55.01860	0.4
55.05488	0.5
56.05019	0.4
57.05843	0.4
58.06574	0.5
60.04511	0.5
62.06069	1.0
67.05491	1.0
69.07056	8.3
70.06566	1.8
70.25044	0.4
71.04973	0.8
71.47385	0.7
72.04514	0.4
72.08131	0.4
79.05468	0.8
81.03413	0.5
81.07040	1.4
81.40966	0.4
84.08128	9.4
84.29090	0.3
85.08920	0.4
85.28804	0.3
86.09690	100.0
87.10024	0.8
91.05481	0.7
93.07039	0.9
95.04935	0.9
95.08594	1.6
96.08108	0.6
97.06522	0.6
105.07001	1.4
106.06512	0.4
107.08588	1.4
109.06459	0.4
109.10145	1.1
112.07581	0.5
116.10715	1.7
117.11045	0.4
118.06586	0.6
118.72783	0.4
119.04901	0.4
119.07289	0.5
119.08576	1.3
119.61092	0.4
121.10131	1.2
122.10503	0.4
123.11707	0.4
128.10699	14.5
129.06929	0.7
130.06496	0.4
131.04932	0.4
131.08559	0.6
132.08083	1.9
133.10100	0.7
134.05988	17.5
135.11633	0.4
136.07565	1.0
141.10168	0.6
142.07759	0.5
143.08508	0.7
145.10107	0.7
146.06041	0.8
147.11696	0.9
149.13251	0.3
152.14305	0.5
155.11766	0.6
155.15289	0.4
156.10184	5.8
157.10106	1.0
159.06798	1.2
159.11670	0.6
160.07564	4.0
161.13165	0.4
171.07898	0.4
174.05501	0.8
174.12782	1.2
180.13846	1.1
183.08130	0.5
185.09602	1.0
187.08659	0.9
187.14801	0.6
188.07085	0.9
188.10701	1.1
190.12259	0.5
197.16437	2.4
200.75223	0.4
202.12227	19.9
203.12608	0.6
204.13782	0.8
207.06578	0.6
212.10690	1.5
213.16393	0.4
219.14905	2.7
225.15904	3.6
229.13348	4.3
230.11714	3.3
239.17574	0.4
247.14391	18.9
249.15952	3.4
253.15990	0.4
267.16992	21.9
270.18457	3.6
287.21075	0.8
315.20612	11.4
316.20953	0.5
323.06903	0.4
332.23245	6.3
343.20044	1.0
352.25803	2.7
360.22754	10.9
360.27161	0.6
374.24332	0.5
380.25302	5.4
388.22147	0.8
402.23840	6.0
451.49698	0.4
469.29587	0.6
470.87198	0.4
487.32748	1.1
497.38181	0.8
515.32129	14.7
515.39270	13.4
516.32257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
56.05030	0.5
57.05800	0.9
58.06588	5.8
60.08150	0.2
69.07052	0.1
70.06586	0.3
70.31694	0.3
70.32107	0.2
71.07356	0.8
72.08140	11.7
84.08158	0.1
85.02881	0.1
85.22472	0.1
86.09692	0.2
92.11709	0.1
93.07025	0.1
95.08592	0.1
98.21326	0.1
101.34525	0.1
105.07040	0.1
114.12783	100.0
115.12413	0.1
115.13121	1.3
142.81613	0.1
147.11781	0.1
211.14830	0.1
366.74707	0.1
511.62915	0.1
515.32129	5.9
516.32275	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00269	0.1
56.05009	0.4
57.05795	0.6
58.06589	5.4
59.94314	0.1
61.02898	0.2
67.05488	0.2
69.07032	0.2
70.06559	0.4
71.07351	1.0
71.79253	0.3
72.08140	10.9
79.05486	0.3
81.07039	0.3
84.08140	0.2
85.02908	0.3
91.05461	0.2
93.07021	0.3
95.04974	0.1
95.08586	0.4
97.06503	0.2
105.07030	0.3
107.08525	0.3
109.06543	0.1
114.12784	100.0
115.13115	0.9
119.08554	0.3
121.10145	0.2
123.08007	0.1
131.08554	0.2
133.10065	0.2
145.10141	0.2
145.49409	0.1
147.11662	0.2
159.11624	0.1
163.03699	0.2
173.13213	0.2
293.59863	0.2
296.98245	0.1
402.23715	0.5
470.71555	0.2
515.32141	5.8
516.32397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14160	2.3
53.03928	4.6
55.01860	4.2
55.05502	22.7
55.88179	2.3
57.03415	8.7
57.07047	4.6
61.02902	5.9
67.05497	76.2
69.03410	10.7
69.07060	15.2
70.88675	5.0
71.04970	3.5
73.02905	3.1
79.05482	49.3
81.03407	7.0
81.07047	100.0
83.04965	4.2
83.08590	12.1
85.02869	8.1
85.06541	4.0
91.05464	31.6
93.06490	4.4
93.07032	57.0
95.04960	12.7
95.07996	3.8
95.08594	66.9
95.47923	2.4
97.02857	5.2
97.06522	7.0
97.10139	5.3
99.04424	2.6
99.08102	5.1
103.03907	3.8
105.07019	29.6
107.04940	2.3
107.08572	38.4
109.06497	10.0
109.10141	31.6
111.08062	4.9
117.06990	9.2
119.08556	23.6
121.10133	32.5
123.08055	6.5
123.11711	15.9
123.18711	2.7
128.06212	3.4
129.05481	2.9
129.07019	9.2
131.04919	2.4
131.08536	23.7
133.06340	2.8
133.10104	18.3
135.08028	3.9
135.11676	30.3
137.13210	5.1
141.80792	2.4
143.08513	4.4
145.10103	18.9
147.08046	3.2
147.11620	15.0
149.13193	20.3
151.07471	4.2
151.14772	2.7
157.09972	5.6
159.11647	19.1
161.13185	9.0
163.14807	12.5
166.88329	2.7
169.10020	3.8
171.11575	2.7
173.09590	2.9
173.13226	17.2
175.14825	3.6
177.12758	3.4
177.16374	2.9
179.14212	2.8
185.13272	5.1
187.14752	10.7
189.12788	2.9
199.14798	3.1
201.16371	3.3
227.65907	2.9
243.21016	19.1
249.14780	2.7
261.22086	60.3
261.24689	5.1
270.17542	2.8
285.22025	4.3
303.23282	7.2
335.25751	21.4
345.24091	5.8
353.26794	18.1
369.24017	3.9
387.25043	4.6
405.26364	3.9
419.27908	7.1
461.28912	5.4
479.30042	4.6
480.29971	4.4
497.30627	10.9
526.81396	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.01835	4.9
55.05498	24.2
57.03414	14.8
57.07062	4.0
61.02907	4.6
67.05492	83.9
68.72897	3.5
69.03403	15.6
69.07066	26.8
69.76842	29.2
71.04969	7.2
73.02881	3.8
79.05026	4.4
79.05474	60.4
81.03395	10.2
81.07037	100.0
83.04987	8.1
83.08591	15.0
84.08122	7.1
85.02879	10.7
85.06529	5.4
91.05469	44.7
93.07026	77.7
95.04936	9.2
95.08594	66.5
97.02852	8.0
97.06508	8.9
97.10144	4.4
99.08062	7.7
103.05473	3.6
105.06999	37.9
107.04888	6.0
107.08570	48.5
109.06504	8.3
109.10147	48.3
111.08028	4.9
117.06998	22.1
119.08562	32.3
121.10097	42.6
123.08044	7.6
123.11671	16.4
125.09621	5.0
127.03902	5.0
129.06985	9.4
131.08543	42.8
133.06468	4.4
133.10095	30.8
135.08035	8.7
135.11691	27.9
137.09584	4.5
137.13213	4.7
139.11189	3.8
141.06993	4.0
143.08507	11.1
145.10089	37.8
147.11630	21.3
149.09602	8.5
149.13269	19.9
151.14662	4.1
155.08540	5.5
157.10106	10.3
159.11644	25.6
161.13184	17.6
163.11166	7.0
163.14772	14.5
165.12706	4.6
171.11617	8.6
173.13228	25.5
175.11108	4.4
175.14743	5.4
177.12779	4.8
177.16295	6.8
183.11627	4.9
185.13182	6.3
187.14803	15.6
195.11726	3.5
198.59770	3.7
201.16367	6.8
233.22650	4.7
243.21017	19.4
261.22092	88.0
277.21765	4.3
291.23041	4.5
301.21747	4.5
335.25665	13.0
353.26770	27.1
363.25061	4.1
369.24268	8.4
419.27795	4.0
437.29477	6.5
461.28860	9.6
479.29834	6.7
497.31104	14.4
515.37396	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37662	2.3
53.03928	4.9
54.74951	2.2
55.01850	4.2
55.05504	19.9
57.03421	8.7
57.07058	5.2
59.32655	2.2
61.02907	3.6
65.03909	2.1
67.05494	76.0
67.28928	2.0
69.03410	7.7
69.07058	19.8
70.90215	3.0
70.90568	6.8
71.05003	3.5
73.02889	2.9
79.05481	56.0
81.03409	5.8
81.07045	100.0
83.04971	4.4
83.08610	11.6
83.21160	1.9
83.74614	1.8
85.02882	7.1
85.06518	5.0
91.03912	2.4
91.05466	41.9
93.07032	78.4
95.04954	10.8
95.08592	72.4
97.02867	5.4
97.06513	5.0
97.10152	8.7
99.08078	5.6
105.07022	32.7
107.04915	2.5
107.08581	50.9
109.06495	7.0
109.10141	42.0
111.08084	5.6
117.06991	19.8
119.08561	34.9
121.10124	44.5
123.08061	5.9
123.11672	18.3
125.09545	2.7
127.95830	2.0
129.06982	6.6
131.08549	32.8
133.10107	26.1
135.11674	39.6
137.09599	5.3
137.13248	6.7
139.11172	2.5
143.08583	5.6
145.10098	28.6
147.11684	19.7
149.09592	3.2
149.13205	25.9
151.11226	3.1
151.14764	2.9
157.10094	6.7
159.11688	25.7
161.13237	14.4
163.11177	4.1
163.14825	18.7
169.10106	3.7
171.11699	7.1
171.29276	2.2
173.13254	24.7
175.11121	2.9
175.14816	8.9
177.12784	2.4
177.16403	5.8
179.14337	2.9
183.11600	2.7
185.13216	6.1
187.14812	16.1
189.16396	2.7
191.14362	4.4
197.13264	3.0
199.14787	4.1
201.16417	8.1
205.15863	4.0
213.16342	2.9
233.22804	3.3
240.35052	2.7
243.21045	28.2
255.21022	3.4
261.22110	85.9
279.23233	4.5
327.23126	2.5
335.25787	9.3
336.59509	2.4
345.24142	2.9
353.26819	20.8
369.24197	7.2
387.25424	4.3
405.26486	3.9
407.01038	2.8
412.16290	2.3
419.28909	2.9
437.30325	8.4
447.28632	2.8
451.32077	2.7
461.29752	3.9
465.30386	2.6
472.49304	2.5
479.29932	2.5
483.31207	11.7
497.31207	7.4
515.37726	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	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
53.64284	1.9
55.01873	2.7
55.05502	18.8
57.03416	9.0
57.07061	4.8
61.02903	3.3
65.03930	3.2
67.05494	96.1
69.03405	5.0
69.07055	15.0
69.55971	20.3
71.04979	4.2
71.08631	2.5
73.02894	2.5
79.05476	54.0
79.05918	4.0
81.03403	4.1
81.07044	100.0
81.07526	4.9
83.04952	4.0
83.08611	11.5
85.02899	7.9
85.06528	6.4
91.03951	2.6
91.05459	33.0
93.07029	72.3
95.04945	7.9
95.08590	74.0
97.02859	4.2
97.06490	6.7
97.10143	7.5
99.08103	3.6
105.07011	28.5
107.08572	48.4
109.02877	1.9
109.06510	3.7
109.10136	45.5
111.08067	5.0
111.11719	2.4
113.09631	2.6
114.96374	2.0
117.06989	12.8
119.08567	31.9
121.06498	3.7
121.10117	41.4
123.08060	5.1
123.11705	18.0
125.09563	2.6
129.06970	5.6
131.08551	28.0
133.10094	26.6
135.08046	3.2
135.11671	33.0
137.09549	4.7
137.13222	7.0
142.07759	2.8
143.08527	6.1
145.10110	24.1
147.11681	20.1
149.09576	3.3
149.13242	25.4
151.07553	2.3
151.11186	3.0
155.08537	3.1
157.10069	4.5
159.11679	23.2
161.13249	17.7
163.11124	4.4
163.14804	13.3
165.12833	1.9
169.10141	2.8
171.11700	5.1
173.09592	2.5
173.13245	24.7
175.14832	7.1
177.12729	3.2
177.16396	5.2
179.14374	2.0
183.11642	3.6
185.13297	6.3
186.02245	2.3
187.14832	16.8
191.14279	2.4
197.13261	3.0
199.14784	4.8
201.16385	7.9
205.15952	3.4
211.14890	2.3
213.16327	2.5
225.16379	2.2
233.15404	2.4
233.22615	4.7
243.21011	25.4
261.22089	77.3
267.21066	3.7
279.23090	5.6
303.23212	4.9
317.24512	2.6
327.23148	2.9
335.25705	26.9
345.24075	4.5
353.26846	24.6
369.24051	3.2
377.26648	2.8
419.28479	7.6
437.30505	5.3
451.31757	2.9
461.28915	3.6
465.30203	3.2
469.32535	3.1
479.30002	2.8
483.30844	5.5
497.31509	12.6
515.32196	2.5
515.37146	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.3
69.76315	5.1
75.26410	0.8
77.24967	0.8
78.57219	0.7
83.72199	0.7
85.02898	2.7
97.02883	0.9
98.21445	0.8
98.97562	2.7
107.36097	0.9
110.97570	1.0
114.09160	3.0
116.98609	1.3
119.01889	1.0
127.03812	1.1
131.01920	0.8
158.99654	1.4
160.09700	1.2
161.02905	0.9
168.50542	0.8
170.99649	1.0
173.02997	1.7
177.00768	1.0
185.02936	1.2
189.00691	1.6
191.03802	0.9
201.00800	1.2
208.99832	1.5
209.04945	1.0
219.01747	2.3
232.81067	0.8
237.02844	0.9
243.01605	0.8
245.05098	2.1
247.05127	0.8
261.02869	1.6
272.06204	0.9
281.07108	2.2
295.15225	1.0
335.02771	1.0
341.15634	1.5
455.97739	0.8
515.11578	100.0
516.11444	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.2
56.63000	5.8
63.23064	5.7
67.05495	17.0
69.07055	13.2
71.09751	15.6
75.47354	5.7
79.05490	12.9
81.07052	33.4
91.05480	10.2
93.07017	18.5
95.08586	52.1
97.06496	7.7
105.07008	28.1
107.08590	36.7
109.10139	31.8
119.08550	48.3
121.10110	38.4
123.11708	12.1
131.08565	18.1
133.10114	32.9
134.10323	6.0
135.11681	23.8
143.08565	7.0
145.10069	27.5
147.11690	24.7
149.13242	25.5
156.16054	5.6
157.10123	6.7
159.11694	23.4
161.13248	16.7
163.11107	8.0
163.14832	24.2
165.09076	6.4
171.11716	7.0
173.13287	15.6
175.11276	6.5
175.14838	18.2
177.16380	21.3
187.14748	30.3
189.16382	55.1
191.17870	13.2
191.49309	6.0
201.16409	24.3
203.17926	86.2
205.15878	35.3
207.17479	23.1
229.19647	9.0
249.18451	11.5
369.31274	6.6
391.33588	7.5
409.29965	8.7
409.34680	72.5
427.35593	9.6
428.83722	7.0
437.34314	10.0
455.35663	11.2
473.36191	100.0
479.30560	8.6
483.31284	8.3
514.36200	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3884
Annotation	Daphmacropodine
Peak:m/z	Relative Intensity
53.03934	0.4
55.01873	0.3
55.05503	1.6
56.05026	0.5
57.07067	0.4
59.89245	0.3
60.04518	1.9
62.06081	7.9
67.05495	2.3
69.07056	2.4
69.89626	0.7
69.90054	1.1
70.06570	1.0
71.04973	1.8
71.07372	0.4
71.08598	0.3
72.04494	0.7
72.08135	0.8
74.06081	0.5
79.05486	2.3
80.04996	0.5
81.07045	6.2
83.08604	1.1
84.08147	0.6
85.02934	0.3
85.06539	0.3
86.09694	6.5
86.10193	0.5
88.07649	0.3
91.05447	2.4
93.07030	4.3
95.04950	0.6
95.08592	5.9
97.06522	2.7
97.10150	0.5
98.06033	0.4
98.09695	1.5
105.07018	4.5
107.08573	5.6
107.09322	0.3
109.06518	0.4
109.10130	3.5
111.08048	0.4
116.07086	3.3
116.10715	19.1
117.07038	0.8
119.08566	5.6
121.10130	5.2
123.11689	3.6
124.98206	0.3
128.10696	1.5
131.08559	3.2
132.08061	0.3
133.10114	5.3
134.06017	1.2
135.11684	3.2
137.09673	0.3
137.13251	0.5
143.08531	0.4
145.10103	3.8
147.11679	3.4
149.09557	0.4
149.13231	1.1
151.07568	0.3
151.11176	0.7
157.10124	1.2
159.11664	3.4
161.13278	2.0
163.14680	0.6
165.09142	0.7
169.10133	0.5
171.11688	0.9
173.13254	2.6
175.14795	3.9
177.16394	1.4
179.10667	0.3
184.80867	0.2
185.13261	0.9
187.14778	3.1
189.12691	0.3
189.16385	2.3
197.13197	0.3
199.14825	1.1
201.16364	3.8
201.38788	0.2
202.12270	1.5
203.18016	0.8
213.16383	0.8
215.17999	1.6
227.17932	0.3
229.13435	0.4
229.19548	0.4
241.19556	0.4
243.21024	0.3
247.14456	1.1
255.21082	0.3
267.16928	1.1
283.24304	0.5
315.20654	0.5
353.28326	0.7
355.26334	0.3
360.22815	0.8
402.23499	0.3
407.32965	0.4
479.30548	0.3
496.37863	2.3
514.38861	100.0
515.32153	0.9
515.39215	3.2
525.81866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12757	8.3
55.05488	12.6
66.16855	8.8
67.05498	24.2
69.52361	100.0
72.41100	8.6
79.05488	13.6
81.07053	31.9
83.08584	12.1
91.05442	13.1
93.07034	11.3
95.08583	26.6
105.06995	32.2
107.55608	9.6
109.10118	13.6
119.08586	19.3
121.10150	12.6
131.08565	12.9
133.10123	20.5
136.38951	9.0
145.10135	12.1
147.11589	18.7
147.68994	9.6
149.13277	15.5
161.13303	13.3
169.41571	9.1
183.62785	8.8
187.14915	10.4
189.16391	11.4
203.17999	24.2
229.46143	10.0
337.15390	11.4
418.40903	9.6
437.34003	25.4
461.28702	13.0
476.69272	10.0
514.36035	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67359	2.7
53.03929	6.5
55.01846	4.3
55.05496	27.9
57.03434	23.8
59.04976	3.5
67.05491	74.7
69.03410	3.5
69.07047	27.6
69.52258	6.6
69.52674	25.9
71.04964	12.6
75.42095	2.9
79.05480	50.1
81.03403	62.4
81.07037	93.0
83.04971	18.5
83.08607	34.4
85.02893	16.1
85.06527	5.7
91.05465	39.9
93.07024	61.8
95.04947	29.3
95.08594	30.5
97.02867	5.5
97.06500	12.8
97.10138	11.0
98.21415	5.0
105.07006	37.1
107.04926	8.9
107.08581	30.8
109.06491	8.0
109.10139	13.5
111.08061	11.8
113.05958	3.2
117.06983	8.4
119.08566	26.7
121.06456	3.5
121.10136	25.7
123.08028	4.7
123.11565	3.2
129.06964	11.0
131.08563	18.4
133.10094	20.6
135.11685	6.9
143.08635	3.5
145.10010	4.8
147.08049	4.5
147.11652	17.7
149.09605	6.9
149.13220	25.1
157.10094	10.4
159.11659	14.0
165.12631	2.9
173.13213	5.2
175.11122	17.5
177.12703	7.3
193.12218	41.7
195.13744	9.7
211.13240	67.1
211.15147	5.5
230.19017	10.6
267.15811	20.1
269.11240	2.8
269.14703	6.3
269.17441	96.1
270.17682	4.6
285.16879	58.1
317.20306	3.8
424.27692	5.3
437.25882	3.0
461.28928	45.7
479.29959	100.0
514.27643	3.4
514.36316	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	514.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12316	0.5
55.05510	3.2
56.05027	1.3
58.06590	74.8
61.60644	0.5
67.05487	0.5
68.05016	2.7
68.99780	0.7
69.05818	1.8
69.07069	0.7
70.06583	35.2
71.79704	0.8
72.08142	31.6
79.05493	0.7
81.03409	1.4
84.08143	0.7
85.02902	1.1
85.03943	0.6
86.06049	0.6
86.09687	1.8
91.05436	0.8
94.51849	0.6
95.04964	0.7
95.08601	1.1
100.07607	4.1
105.06986	0.7
107.08615	0.6
111.09125	0.6
114.09156	1.6
116.57589	0.5
118.06588	0.7
124.11209	0.8
128.07080	0.6
130.08630	1.0
131.08633	0.6
133.10095	1.0
134.05989	37.8
135.06779	9.3
137.05931	0.8
146.06042	0.7
147.04391	1.3
148.11157	0.6
149.11525	0.6
151.03879	0.6
157.13336	11.6
160.07571	0.6
161.09537	0.6
174.09114	14.9
175.03914	0.7
177.05405	4.7
185.12837	10.6
186.09123	8.7
191.08548	0.9
192.10303	0.6
203.11761	24.8
207.06494	1.1
233.12944	1.7
255.83817	0.6
268.13159	0.5
302.18594	30.7
303.18820	0.8
313.11926	0.8
322.16022	1.4
330.18060	100.0
331.18423	2.1
373.00751	0.6
373.13934	1.4
429.25052	1.2
457.14972	0.7
457.24557	1.1
470.21841	1.6
471.34683	0.8
514.20483	8.7
514.30145	2.4
515.21210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01878	2.1
55.05491	5.6
57.03431	3.5
58.06597	12.5
61.02909	2.5
67.05489	7.7
69.03423	3.5
69.07066	3.0
70.06588	9.0
70.20533	7.4
71.04983	1.8
72.08142	4.3
73.02906	1.3
79.05489	10.4
80.05047	1.3
80.56927	1.4
81.03410	90.5
81.07036	8.1
81.62537	1.3
83.04971	4.6
83.08615	19.7
84.08116	2.5
85.02873	3.6
86.09689	3.7
91.05477	10.4
93.07037	6.6
95.04959	28.2
95.08611	4.9
97.02887	4.3
97.06518	1.6
98.09709	1.9
105.07027	7.7
107.04947	6.0
107.08577	3.6
109.02861	1.9
109.06534	2.1
111.04434	2.1
111.08068	8.3
114.09171	7.2
114.12814	7.6
115.05351	1.8
116.07066	1.7
119.08560	8.2
120.08083	5.0
121.10122	4.0
123.04402	1.5
123.08075	2.0
126.51859	1.3
129.07024	9.3
130.08672	1.6
131.08600	7.3
133.06502	3.9
133.10118	6.3
134.06021	6.3
137.05963	2.0
142.07777	1.7
147.04419	2.5
147.08098	3.9
147.11656	8.2
149.09621	5.3
157.10095	11.1
157.13350	2.2
163.11172	1.7
164.10815	2.2
165.12776	3.0
174.09149	2.8
175.11148	17.8
177.05637	3.0
178.05066	1.3
188.07079	1.7
192.10217	2.6
193.12221	76.6
203.11748	4.9
211.13228	7.6
235.13315	2.0
237.39296	1.4
267.15884	55.3
285.16946	100.0
286.17343	3.1
302.18604	7.3
309.16855	12.6
323.12479	2.1
330.18042	18.0
351.18054	2.4
363.18228	2.4
373.13983	2.4
375.17978	2.5
393.19055	3.3
429.21060	6.6
514.20422	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90509	0.8
53.03951	1.1
55.05502	3.5
57.03434	3.1
60.66724	0.9
61.02911	1.8
67.05195	1.1
67.05495	7.1
69.03424	1.8
69.07046	1.5
70.98016	2.2
71.04970	1.2
73.83592	0.9
79.05489	5.7
81.03408	72.6
81.07040	7.5
83.04962	2.3
83.08610	20.6
85.02901	2.5
86.63247	0.9
91.05473	7.8
93.07022	3.6
95.04954	25.5
95.08607	2.7
97.02892	2.9
97.06512	1.3
97.10157	1.2
98.31072	0.9
105.07027	8.8
107.04961	4.8
107.08595	3.5
109.06524	2.2
109.10168	1.2
111.04452	2.6
111.08075	8.2
119.04921	1.3
119.08575	7.4
121.06503	2.0
121.10126	3.3
123.04411	1.6
125.09610	1.1
129.06978	6.3
131.08575	6.4
133.06499	3.2
133.10135	3.9
142.07794	1.3
145.10062	1.2
146.05960	1.3
147.08054	3.3
147.11671	5.2
149.09634	4.6
157.10098	9.0
165.12761	1.8
172.48669	1.0
175.11176	11.8
189.12743	1.1
193.12218	65.1
201.55608	0.9
207.14011	1.0
211.13261	5.8
214.08012	0.9
235.13266	1.8
267.11386	1.5
267.15887	34.3
285.16928	100.0
286.17239	2.8
299.18597	1.5
309.16977	9.6
313.11725	4.4
327.17847	1.8
341.11041	1.2
351.18210	1.8
363.18015	2.7
373.13974	18.3
375.18042	1.6
393.19086	1.5
398.09326	1.0
411.20239	1.5
482.19968	1.0
514.31769	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	514.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07029	0.3
53.02736	0.3
53.97670	0.3
55.01846	0.7
55.05480	0.5
56.00759	0.3
58.06583	1.6
67.05483	0.9
69.03400	0.5
69.07057	0.8
70.06580	2.2
71.79586	0.4
72.08129	1.0
79.05471	0.7
81.02986	0.5
81.03407	4.6
81.07044	0.7
83.04959	0.5
83.08602	1.2
85.02879	0.6
85.57060	0.3
86.09680	1.1
91.05456	1.1
93.06984	0.6
94.06528	0.3
95.04982	2.0
95.08564	1.1
97.02866	0.5
100.11240	2.1
105.07015	0.8
107.04956	0.4
107.08569	0.5
108.04444	1.2
109.02831	0.4
110.07121	0.4
111.04395	0.3
111.08054	0.7
114.09143	1.4
114.12769	0.7
119.08546	0.7
120.04508	0.3
120.08057	0.5
122.06007	0.8
123.04411	0.3
127.03893	0.4
129.07034	0.3
130.08574	1.0
133.10139	0.8
134.05969	0.6
136.07474	0.4
138.05397	0.4
140.07042	1.0
146.06015	1.5
147.04311	0.4
147.11656	0.5
148.07549	1.1
149.09561	0.4
150.05371	0.4
151.03972	0.3
157.10081	0.7
163.03909	0.5
164.10646	0.5
166.04993	0.9
167.07045	0.5
168.06540	2.9
174.05513	0.7
175.11079	0.4
175.14774	0.6
177.05469	0.9
178.04936	0.7
192.10167	1.0
193.12210	3.6
196.11151	0.4
203.11926	0.4
204.06540	0.6
206.04466	0.5
206.08089	0.9
207.06454	0.4
211.08664	3.2
211.11923	0.3
212.09348	1.0
213.10262	0.6
221.10686	0.4
222.09103	0.8
223.08578	0.5
223.12221	0.4
224.10643	1.3
225.10179	3.7
226.11075	0.6
227.11804	0.4
238.10966	0.4
239.08131	0.5
239.11775	6.4
241.09727	1.0
241.13326	0.8
249.10217	0.5
250.08617	1.0
252.09024	0.5
253.09668	4.2
254.10461	0.8
256.11960	0.4
257.12811	0.7
267.11240	9.1
267.15680	2.6
269.12735	1.2
280.08258	0.4
281.08948	0.6
284.11481	0.7
285.12292	0.6
285.13531	0.4
285.16885	5.5
295.10715	5.8
302.18588	0.9
309.16861	0.4
313.11780	34.8
314.12170	0.9
323.09714	0.4
323.12756	0.4
330.18076	1.9
341.11243	4.2
355.12878	1.2
359.12381	0.8
373.13885	100.0
374.14188	2.0
482.19199	0.9
514.21198	1.3
514.31104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47373	0.3
65.03931	1.4
70.06576	1.2
70.25522	0.6
70.25932	1.0
77.03899	0.4
81.03407	0.5
85.02882	0.4
89.78903	0.4
91.05470	19.6
92.05797	0.4
95.04940	0.4
103.05409	0.5
105.03377	0.4
110.06047	0.6
114.09142	1.0
119.04930	31.7
119.08574	0.7
128.07056	1.2
129.03384	0.5
130.08620	0.6
132.02055	1.2
133.02765	0.7
136.05208	0.8
137.05972	0.4
145.02835	0.7
146.08112	13.3
147.04391	26.8
149.02325	1.0
150.03178	0.4
157.03970	2.0
157.67036	0.3
160.09631	0.6
164.04674	1.3
173.17828	0.3
175.03889	47.2
175.14819	0.7
177.05560	0.5
179.07021	2.6
185.51668	0.4
207.06505	100.0
208.06789	1.3
308.13336	1.7
320.55200	0.4
351.10580	0.6
369.11630	0.9
514.19470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.23418	0.2
55.01868	0.4
65.03921	1.1
69.03410	0.6
69.03773	0.2
69.46593	1.3
69.47025	1.0
69.83930	0.2
70.06584	3.4
77.03920	0.4
79.05492	0.4
81.03396	0.7
81.07032	0.3
84.04475	0.3
84.08140	0.4
85.02885	0.6
86.09682	0.5
86.79016	0.2
89.02914	0.2
89.03902	0.8
91.05469	21.7
93.07683	0.2
95.04943	0.3
95.08628	0.5
97.02872	0.3
98.06046	0.4
103.05437	0.5
105.03413	0.6
105.06998	0.2
107.04930	0.3
109.02853	0.4
110.06022	0.9
114.09160	1.7
114.90346	0.2
117.03403	0.5
118.04155	0.5
119.04926	32.2
120.05276	0.4
121.02857	0.4
122.05907	0.2
127.03902	0.3
128.06235	0.2
128.07042	1.1
129.03325	0.8
130.08636	0.4
131.04895	0.2
132.02043	1.2
133.02840	0.3
135.04399	0.6
136.05199	0.6
137.05925	0.5
140.07001	0.3
145.02826	0.8
146.06900	0.4
146.08104	12.7
147.04388	28.7
148.04799	0.5
149.02353	1.0
149.06084	0.3
150.03108	0.3
157.03937	2.1
162.02991	0.3
164.04668	0.9
175.03883	48.4
176.04271	0.8
176.09129	0.5
177.05458	1.3
178.05722	0.2
179.07010	2.7
182.08063	0.6
192.04120	0.3
197.43130	0.3
207.06496	100.0
208.06812	1.8
239.11806	0.3
253.46922	0.2
277.16476	0.3
308.13318	1.4
313.11783	0.8
369.11655	0.7
373.13965	1.9
383.14767	0.3
514.20239	1.5
514.26990	0.6
544.93823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.5
64.57083	0.4
68.25800	0.4
69.03422	1.8
70.06572	1.3
71.04953	0.6
71.47782	0.5
71.48138	0.8
72.08132	0.8
73.02888	0.7
79.05462	0.4
81.03400	4.9
82.06557	3.9
84.08119	0.5
85.02882	3.3
89.03899	6.2
91.05471	0.9
94.06544	5.6
96.08085	0.6
97.02856	1.2
99.04482	0.4
100.07598	0.4
103.05439	0.4
106.41679	0.4
107.04931	0.4
109.02857	1.6
112.07593	3.9
114.09145	2.7
114.10288	0.5
115.99842	0.4
117.03358	18.5
118.03760	0.4
119.04936	0.4
127.03882	1.1
128.07053	4.0
130.08617	29.1
131.09027	0.4
134.03603	1.1
135.04353	1.3
137.05991	0.4
140.07037	9.0
145.02820	56.5
146.03166	0.9
149.05957	7.4
152.96513	0.4
155.10727	0.4
158.08073	5.4
163.03911	1.1
163.12314	0.5
167.06967	0.5
175.03960	0.5
176.09154	83.3
177.05435	100.0
178.05788	1.6
186.05530	1.3
207.06596	0.4
321.09567	3.4
338.14383	24.0
339.10727	3.9
339.14410	0.7
385.20166	1.3
468.18665	0.5
514.19019	23.7
514.25458	1.4
515.19543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	9.5
55.05504	27.5
57.03419	10.3
57.07068	6.7
59.04969	5.7
59.73440	4.6
60.61935	4.0
63.78880	4.7
65.03914	8.0
67.05489	100.0
69.03406	14.4
69.07059	29.2
69.52457	47.0
71.04980	4.5
78.08141	4.6
79.05479	47.8
81.03383	5.1
81.07040	82.3
83.04958	6.4
83.08598	17.0
85.02896	7.1
85.06516	8.0
91.05459	53.4
93.07021	89.3
95.04934	15.5
95.08589	75.2
97.06521	12.9
97.10144	14.6
105.07008	76.1
107.07887	8.2
107.08570	91.3
109.06512	13.4
109.10130	66.5
111.08031	9.3
117.07018	31.1
119.08546	95.8
121.06467	18.4
121.10125	68.7
123.08083	6.7
123.11684	11.1
125.09611	10.9
127.73271	5.7
129.05447	10.8
129.06969	21.1
130.07880	5.6
131.08551	72.5
133.06502	6.5
133.10106	61.0
135.08051	12.0
135.11638	31.1
137.09573	5.1
139.07507	12.8
141.06935	5.7
142.07808	7.5
142.60577	4.6
143.06982	12.4
143.08501	38.8
143.75502	5.1
144.09329	5.1
145.06470	8.1
145.10104	78.9
147.07965	9.1
147.11647	47.5
149.06064	4.8
149.09575	11.8
149.13226	37.1
151.07452	7.1
151.11205	5.8
153.09067	6.4
155.08521	24.8
156.09348	8.2
157.10089	52.6
158.10735	5.3
159.08057	6.3
159.11653	82.1
161.09578	11.9
161.13219	51.7
163.07494	13.1
163.11142	14.1
163.14787	16.8
165.05484	10.0
165.12755	5.3
167.08498	7.9
169.10080	27.0
171.08047	8.2
171.11652	59.7
173.09596	11.8
173.11700	13.7
173.13240	50.9
173.65910	5.3
175.11127	10.0
175.14792	20.4
177.09097	5.9
177.12744	8.8
177.16302	9.4
179.06996	8.8
181.10123	13.8
182.10907	7.6
183.10229	7.1
183.11642	33.6
185.09560	8.3
185.13188	27.3
187.11151	10.6
187.14740	27.4
189.12715	8.7
189.16290	8.7
191.10634	17.2
191.14284	10.9
193.10178	9.1
193.12193	11.0
195.11678	15.4
195.13632	9.8
197.13237	28.8
199.14819	43.8
201.12685	11.3
201.16298	34.1
203.10709	5.6
205.12227	22.5
207.11784	6.5
207.13768	9.1
209.13205	17.0
211.14772	23.1
213.12737	6.0
213.16364	23.0
215.14307	12.3
215.17850	18.4
217.12178	9.2
217.15791	8.3
219.13722	26.8
221.13318	9.8
221.15292	9.1
223.14816	16.2
225.12730	5.1
225.16344	14.2
227.17984	16.7
229.12256	5.4
229.14317	16.7
231.13719	12.0
233.15343	9.3
235.14806	5.2
237.16432	7.5
239.17911	13.2
241.19456	15.0
245.15364	20.7
247.17035	9.1
251.18013	7.5
253.19734	10.7
255.13449	7.6
255.21245	5.3
257.15317	10.5
259.16879	6.8
261.18616	6.1
263.18118	6.4
265.19376	7.3
267.21048	9.0
269.17456	9.5
271.16934	11.0
273.18591	7.1
275.17740	8.1
279.17230	5.9
283.16983	5.5
287.20081	7.3
299.20114	6.4
309.25742	7.7
317.22592	8.1
319.24072	6.3
323.20093	6.3
365.24475	7.8
371.27203	10.0
389.28226	19.0
391.29977	6.5
399.26834	14.5
405.27896	12.8
407.29178	23.9
415.26419	7.5
417.27875	53.2
419.29248	12.0
423.27460	18.8
427.26572	6.3
431.29327	14.6
433.27292	16.1
435.28998	47.6
437.30273	10.8
439.32394	8.3
445.27313	25.6
449.30551	26.2
453.30270	25.3
463.28329	54.3
465.29724	15.7
467.31595	34.4
477.29810	20.8
481.29437	66.4
495.30981	27.3
513.30511	30.4
513.36853	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	513.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01850	4.1
55.05495	11.5
57.03424	7.8
61.02914	12.1
67.05497	29.1
69.03422	6.3
69.07059	7.7
71.04989	3.6
71.79892	3.7
73.02906	8.9
79.05484	35.7
81.03404	5.0
81.07042	33.1
83.04971	4.1
83.08608	5.4
85.02901	14.1
85.06544	2.5
88.00462	2.2
91.03951	4.3
91.05476	26.6
93.07032	37.0
95.04958	4.9
95.08587	24.7
97.02879	8.4
97.06513	3.7
97.10184	3.3
105.07015	28.2
107.04964	2.4
107.08579	32.5
109.06519	2.7
109.10161	12.7
112.38387	2.6
117.06997	10.8
119.08565	25.8
121.10123	22.8
127.03931	3.1
129.05490	2.9
129.07005	4.8
131.08543	15.5
133.10097	23.3
135.11684	23.4
137.09615	3.1
143.08542	7.2
145.10085	16.6
147.11671	27.5
149.13193	14.4
157.10112	3.2
157.40742	2.3
159.11670	11.7
161.13231	17.2
163.14792	7.8
169.10147	2.8
169.72960	2.4
171.11674	9.1
173.09700	2.5
173.13257	9.3
175.14787	15.2
177.12767	3.4
183.11725	2.2
185.13255	8.6
187.14742	3.2
199.14871	4.2
207.06458	5.1
213.16280	2.4
229.14449	2.8
241.19505	21.7
259.20544	44.7
277.21570	5.5
331.20871	2.4
333.24271	6.5
333.89365	2.3
349.23700	4.7
351.20914	4.9
351.25278	100.0
367.22437	4.0
417.26117	3.7
441.25687	3.7
468.61719	2.7
495.29843	6.9
513.35382	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	512.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.5
57.07067	13.0
58.06561	1.1
67.05490	1.9
69.07066	1.9
70.06582	10.6
71.05415	0.4
71.05769	0.5
71.08620	6.6
72.08117	0.3
73.02920	1.3
75.70635	0.2
76.03125	0.2
77.82250	0.2
79.05444	0.3
81.07043	1.7
83.08610	1.7
85.09753	0.2
85.10174	3.1
88.07616	15.0
89.05988	0.5
95.08582	3.0
97.10132	0.9
100.07536	0.2
102.09165	11.8
106.08614	0.7
109.10099	0.8
123.11653	0.4
133.08568	0.4
159.68709	0.2
212.23619	0.5
228.23187	3.0
230.24930	0.3
246.24274	0.4
253.40425	0.2
256.26324	36.1
257.26758	0.4
274.27393	3.0
283.26273	40.0
284.26703	0.5
311.29416	2.6
327.19934	0.3
332.88284	0.3
512.50323	100.0
513.50562	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	512.503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86763	0.3
52.55785	0.2
55.05499	1.6
57.07066	12.0
57.14343	0.2
57.84451	0.2
58.06566	0.8
60.04495	0.3
63.61059	0.2
64.16845	0.2
67.05505	1.8
68.92474	0.2
69.07067	2.2
70.06577	9.6
70.98221	0.7
71.08617	6.4
73.02901	1.3
79.05456	0.4
81.07040	1.9
83.08585	1.9
84.08106	0.3
85.09740	0.3
85.10170	3.1
88.07612	13.4
89.05991	0.7
91.05392	0.3
93.07007	0.5
95.08586	2.6
97.10158	1.2
102.09164	10.1
106.08651	0.6
107.08590	0.2
109.10113	1.0
111.11661	0.3
121.10093	0.3
127.03846	0.6
132.00911	0.3
133.08548	0.8
212.23772	0.3
212.83156	0.3
228.23193	3.4
247.33549	0.3
255.45122	0.3
256.26315	37.4
257.26624	0.7
263.14734	0.3
274.27396	3.3
277.17941	0.4
283.26273	39.6
284.26572	0.4
311.29361	3.8
327.20074	0.4
342.27917	0.3
344.00992	0.3
417.33789	0.6
512.50311	100.0
513.50714	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	512.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.07067	11.9
57.42642	0.2
58.06558	1.0
67.05490	1.3
69.07060	2.2
70.06583	10.0
70.39887	1.2
71.08617	6.5
72.08126	0.4
73.02897	1.2
81.07050	2.2
83.08594	2.0
85.10174	2.5
87.04421	0.4
88.07614	15.2
89.05976	0.7
93.07008	0.4
95.08604	2.1
97.10133	0.9
102.09167	10.5
106.08643	0.6
109.10125	0.7
111.63724	0.3
122.53363	0.2
133.08559	0.6
168.65112	0.3
228.23232	1.7
256.26321	36.8
257.26624	0.6
274.27383	3.8
283.26276	39.3
284.26605	0.7
311.29352	1.8
317.44766	0.3
327.20123	0.4
512.50323	100.0
513.50696	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	512.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77192	6.0
55.05488	8.4
57.07074	12.5
66.52478	5.6
67.05495	10.6
69.07039	11.3
70.06593	5.9
71.04512	12.3
71.04884	12.7
72.34990	6.0
79.05486	8.7
81.07031	21.0
83.08618	6.8
88.07599	9.5
91.05496	9.3
93.07041	16.9
95.08601	30.2
102.09170	5.3
105.07007	20.1
107.08564	31.3
109.10133	15.6
114.84922	5.4
119.08553	33.3
121.10124	32.8
123.11672	7.2
133.10126	41.5
135.11665	12.2
145.10094	17.0
147.11659	17.8
149.13264	13.7
157.10080	9.2
159.11632	10.4
161.13237	6.9
163.14819	21.0
171.11626	9.6
173.13222	8.5
175.14807	61.4
177.16385	34.6
187.14786	20.9
189.16286	44.4
201.16385	10.2
203.14328	6.9
203.17928	32.5
205.15862	16.1
213.16302	11.1
215.17915	15.3
223.16930	49.5
229.15790	6.5
231.17393	11.4
235.16969	7.9
249.18416	7.8
256.26331	22.2
283.26303	22.7
369.42459	5.9
389.31812	10.1
407.33173	39.5
425.34082	17.1
430.60641	6.2
435.32471	68.0
453.33496	15.4
471.34680	100.0
472.35110	6.5
497.86215	5.9
512.50275	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	512.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.07065	9.5
58.06313	0.8
58.06591	14.1
59.63262	0.6
60.04518	4.9
67.05490	5.4
69.07062	5.8
70.06589	6.2
71.04971	0.8
71.08620	4.9
71.80484	0.7
71.80933	0.8
72.08125	3.4
73.02872	0.8
74.32031	0.6
79.05471	3.1
81.07042	8.8
83.04967	0.7
83.08615	4.7
85.10165	3.0
88.07605	8.1
89.06019	4.7
91.05466	4.5
93.07026	7.7
95.04990	0.6
95.08586	10.1
97.10168	2.1
100.07602	7.8
102.09161	6.3
104.10764	0.6
105.07014	8.9
107.08579	11.7
109.06427	0.7
109.10143	7.3
114.09171	2.2
117.06956	1.5
119.08565	14.9
121.10120	9.3
123.08073	0.9
123.11698	3.8
125.09680	0.9
131.08525	5.1
133.08585	2.8
133.10114	14.5
135.11671	5.8
137.09607	1.1
143.08562	1.2
145.10115	8.1
147.11670	4.6
149.13249	5.3
151.11165	1.2
155.08524	0.7
157.10104	1.6
159.11620	5.2
161.13242	8.0
163.14812	1.4
171.11722	2.0
173.13225	6.2
175.14796	12.3
175.16153	1.2
177.11230	1.2
177.16325	2.9
185.13332	2.5
187.14798	6.2
189.16322	3.5
193.15916	1.3
197.13329	0.7
199.14734	3.1
201.16360	8.0
203.17917	1.2
213.16299	4.5
215.17986	2.6
217.15694	0.7
227.18007	0.8
228.23250	2.1
229.19577	0.9
241.19560	1.7
243.21004	0.6
253.19510	0.9
255.21127	1.0
256.26328	19.6
256.28931	1.2
259.16891	1.2
274.27347	1.9
283.26306	20.9
311.29449	1.2
327.20071	1.3
358.65860	0.6
363.30319	0.9
389.31924	1.1
407.33075	1.9
409.30975	4.0
426.33829	0.9
435.32617	3.2
452.35132	1.1
453.33472	1.1
468.35101	1.4
470.36115	2.4
482.74332	0.9
495.38635	1.4
512.37366	100.0
512.49988	51.2
513.37555	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	512.3728
Annotation	Daphmacrine
Peak:m/z	Relative Intensity
50.66669	0.2
55.05489	0.7
57.07060	0.5
58.06593	0.3
67.05482	1.4
68.05022	2.7
69.03409	0.7
69.07043	0.6
70.02933	0.6
70.06558	0.4
71.08615	0.3
72.04502	0.6
74.06062	0.3
79.05485	1.9
81.07044	2.4
83.08587	0.5
83.32352	0.2
86.06044	0.3
88.07613	0.8
91.05469	1.0
93.07028	2.9
95.08589	4.5
96.04475	7.8
97.06523	0.3
101.64198	0.2
102.09128	0.3
105.06998	2.2
107.08581	5.8
109.10130	1.6
114.05511	31.1
117.06998	0.7
119.08556	2.6
121.10128	6.1
123.11704	0.8
131.08559	1.5
133.10094	2.1
135.11702	1.6
143.08583	0.5
145.10095	1.5
147.10587	0.4
147.11642	1.4
148.11201	1.2
149.13263	0.5
150.09119	0.3
156.49062	0.2
157.10091	0.6
158.11790	1.4
159.10448	0.3
159.11624	1.2
160.11192	0.3
161.13242	0.7
163.14825	0.6
164.10690	0.6
171.11650	0.5
173.09579	0.3
173.13152	1.1
174.12743	0.4
175.11119	0.3
175.14786	1.3
177.11469	0.3
177.16264	0.3
180.10294	0.3
183.11711	0.2
185.13243	0.8
187.14809	1.3
189.16385	0.7
189.36292	0.2
192.13779	4.4
199.12975	0.2
199.14877	0.7
201.16422	0.8
203.17975	0.3
213.16437	0.6
225.16415	0.2
227.18021	0.3
239.17986	0.3
256.26389	1.2
283.26257	1.1
309.25757	1.0
355.26242	1.4
461.35931	0.3
464.44366	0.3
480.20999	0.3
494.36145	0.7
509.07480	0.2
512.37305	100.0
512.50128	3.7
513.37665	3.4
539.93109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48867	6.7
52.56648	6.5
55.05489	8.4
57.07053	14.7
58.92372	6.7
60.95037	6.8
66.06572	6.9
67.05489	20.4
69.07043	17.1
70.06556	10.0
76.22414	6.2
79.05477	11.3
81.07023	22.6
83.08614	13.4
85.02889	7.8
87.04434	7.3
87.87863	6.5
88.07626	16.4
93.07025	12.2
95.08592	50.8
102.09166	14.1
105.07011	21.0
107.08556	28.3
109.10126	22.9
119.08553	39.4
121.10110	24.1
133.10098	42.0
135.11697	10.4
145.10139	11.1
147.11668	24.5
149.13281	15.8
159.11688	9.9
161.13226	13.4
163.14763	9.6
171.11723	7.4
175.14772	29.5
177.16307	19.5
187.14798	16.9
189.16319	41.2
190.96498	7.0
203.17905	92.6
205.15814	7.1
213.16273	11.6
215.17958	12.8
219.76276	7.1
221.15446	10.2
223.16960	12.6
233.19034	7.3
249.18460	42.0
256.26376	40.4
283.26236	33.3
381.48309	7.5
389.32089	15.8
407.32910	44.8
425.34149	18.7
435.32532	34.6
453.33615	13.9
471.34723	100.0
511.84256	6.7
512.37610	10.3
512.50403	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08701	0.1
55.05492	0.8
55.32908	0.2
57.07055	0.2
61.01732	0.2
62.04849	0.2
63.04110	0.2
67.05482	0.8
67.17455	0.2
69.07062	1.1
70.06567	0.6
72.04504	1.9
76.08820	0.2
79.05468	0.6
81.07041	1.9
83.04970	0.2
83.08607	0.7
85.02905	0.2
91.05461	0.8
93.07024	1.1
94.06506	0.2
95.04976	0.3
95.08586	1.8
97.06497	0.2
97.10133	0.4
98.09672	0.5
99.00037	0.2
100.07593	0.2
103.03923	0.2
105.07016	1.2
107.08583	1.4
109.10149	1.1
114.09135	0.2
117.07005	0.6
118.46241	0.2
119.08543	1.5
121.10129	1.2
123.11710	0.6
126.09137	2.6
129.06967	0.3
131.08556	0.8
133.10098	0.9
135.11679	0.5
136.07581	0.3
137.13315	0.2
143.08549	0.6
145.10124	1.1
147.11682	0.7
152.10672	0.3
155.08514	0.3
157.10085	0.7
159.11618	1.0
161.13297	0.4
162.91563	0.2
163.14836	0.2
166.12329	0.2
169.10100	0.5
169.68329	0.2
171.11702	1.0
173.13231	0.8
175.14774	0.6
178.12303	0.6
180.13771	0.8
181.10190	0.2
183.11691	0.5
185.13251	0.6
187.11200	0.2
187.14844	0.4
195.11697	0.4
197.13289	0.5
199.14828	0.7
201.16364	0.3
209.13287	0.3
211.14915	0.3
213.16397	0.5
217.12164	0.3
223.14804	0.3
225.12778	0.2
225.16333	0.3
227.17906	0.2
232.17079	0.3
237.16457	0.2
239.17961	0.5
259.16699	0.2
265.19461	0.3
267.21091	0.3
279.21439	0.2
283.07202	0.2
293.22806	0.2
452.31720	0.4
466.33362	0.3
496.30991	0.2
512.33649	100.0
513.34015	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	512.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
53.27515	0.5
55.01844	0.6
55.05473	1.1
57.03418	0.7
68.05017	1.1
69.03419	3.1
70.06576	4.1
71.04983	1.4
71.79115	0.8
72.08155	0.9
73.02897	1.0
78.03447	2.7
79.05448	1.5
81.02992	0.8
81.03409	8.1
81.04488	1.4
81.05749	0.9
82.06553	1.2
83.04937	0.8
84.08149	0.9
85.02894	4.9
86.09698	1.0
88.13438	0.5
89.03907	5.0
91.05447	1.7
94.06546	1.0
95.04934	1.0
96.04488	1.0
96.08117	10.6
97.02842	1.7
97.06479	1.0
98.09680	4.5
99.04424	1.1
102.05515	0.7
106.02895	8.6
107.04920	1.6
108.08051	0.8
109.02859	4.8
112.07603	0.8
113.72894	0.7
114.09151	59.1
115.09515	0.6
117.03363	18.2
118.97073	0.7
119.04939	1.2
120.08121	0.7
121.06485	1.2
122.02390	1.0
122.06030	0.8
124.03932	14.2
124.04832	0.8
125.06064	0.5
125.07069	1.6
126.07413	0.5
127.03883	2.6
130.08560	0.9
133.02850	1.9
133.06549	0.6
134.03671	1.3
135.04405	2.7
136.03876	0.6
137.05945	2.0
138.05510	0.6
138.97549	0.6
143.08112	5.2
144.08540	1.5
145.02826	69.8
146.03133	1.5
147.04399	1.0
149.05959	7.2
152.07024	0.7
154.08603	5.8
156.10167	3.0
157.70232	0.6
160.09618	1.2
163.03857	5.0
165.05457	1.4
167.06999	2.0
174.11235	51.8
175.03868	1.2
175.11624	1.1
177.05444	100.0
178.05833	1.6
186.05486	1.0
188.09145	0.8
188.12746	1.0
197.08054	1.2
207.06512	2.5
209.08018	1.0
210.70718	0.7
250.07057	4.2
268.08139	7.7
276.14383	2.4
321.09473	2.8
336.16458	21.3
337.16605	0.7
339.10715	1.8
452.19119	15.5
453.19684	0.9
464.15506	5.3
494.17517	0.9
494.24811	1.1
512.21234	89.7
513.15247	0.7
513.21802	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	512.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01856	0.4
57.03419	0.9
67.66860	0.4
68.05032	1.0
69.03429	3.1
69.43539	2.8
69.43964	1.8
70.06585	3.0
71.04976	0.5
73.02903	0.5
79.05455	0.7
80.04990	1.5
81.03413	9.4
84.08123	0.6
85.02892	4.3
86.06042	0.5
86.09657	0.8
91.05463	1.2
93.07057	0.9
95.01328	3.0
97.02301	0.7
97.02879	8.6
99.04438	1.7
106.02902	1.4
107.04989	0.6
107.08572	2.4
108.04457	3.0
109.02870	4.6
110.06042	0.8
114.09158	1.8
116.07090	0.5
119.04939	1.5
124.03917	1.2
126.05488	0.7
127.03908	3.8
130.08624	0.8
131.04935	0.4
135.04330	1.0
135.11671	12.4
136.03922	100.0
137.04280	1.0
137.05972	6.2
138.05446	0.5
139.67412	0.4
140.07021	0.6
145.02838	0.5
145.04947	1.0
147.04398	5.7
149.05896	0.7
153.05479	0.8
153.12691	0.6
154.04971	34.9
163.03896	2.2
163.07497	0.6
167.07050	1.8
173.09129	0.5
174.11232	0.5
177.05449	1.2
179.06996	1.2
190.10893	0.4
204.08694	0.4
213.12321	0.8
250.07013	0.6
264.86441	0.4
268.08191	0.7
280.08145	18.5
298.09186	14.6
351.08496	0.6
429.12222	0.6
490.95709	0.4
512.21375	0.8
513.15686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
56.22611	0.2
64.69264	0.2
69.07059	2.1
69.90932	1.8
70.06580	0.5
70.83680	0.2
72.55546	0.2
77.03905	0.3
80.05022	0.2
84.08127	1.8
85.08921	0.3
86.09693	20.3
91.05467	1.4
93.07017	1.1
93.57066	0.3
95.04955	0.6
96.08125	0.4
98.09662	0.6
98.21321	0.5
103.05457	4.6
105.07018	2.8
106.06507	0.5
115.05444	1.1
117.05794	0.3
117.07015	2.0
118.06554	0.5
119.04895	1.2
119.08565	0.2
120.08086	100.0
121.08412	0.7
129.07060	0.4
130.06496	1.7
131.04930	0.8
131.07272	0.6
132.08081	3.4
133.06485	0.8
134.06006	2.1
135.06825	0.6
143.04942	1.1
145.06465	6.9
146.05966	0.3
147.04395	5.4
148.07596	1.0
149.05936	0.8
159.06790	0.4
160.07559	38.9
161.05971	0.6
161.08022	0.3
162.09100	2.4
164.07051	2.0
170.05974	1.0
171.04384	4.2
172.07564	0.6
173.05937	0.4
177.05405	0.8
177.10211	7.6
178.08566	1.3
187.08571	0.4
188.06984	1.1
188.14320	5.0
189.05446	10.5
189.10205	0.4
190.08759	0.3
191.07021	0.6
206.08102	31.5
223.10745	23.4
224.10872	0.4
228.13838	0.6
230.15292	0.5
233.09229	0.8
233.16464	4.1
234.07657	0.3
234.14842	0.4
245.16446	2.3
246.14807	1.8
261.15988	7.0
262.12357	0.6
264.13828	0.5
268.12823	0.4
273.15936	0.6
274.14365	0.9
280.13428	0.4
281.16461	0.9
290.18591	4.0
291.16977	6.0
301.15375	3.2
307.14346	1.5
308.12781	0.4
318.18076	1.4
319.16516	1.2
325.15463	1.9
335.14066	0.3
336.19141	6.8
344.25909	0.3
346.17795	0.3
347.15973	1.7
353.14911	26.8
364.18604	3.1
370.17560	16.8
380.16132	0.4
398.16675	0.4
420.22763	0.3
421.21085	0.6
437.25183	0.7
438.23965	0.5
439.27234	0.6
447.24200	0.4
448.22263	0.3
465.24921	5.4
466.23309	8.3
483.25983	19.3
484.26291	0.3
493.24182	1.4
494.22812	6.1
511.25476	19.6
512.25848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01850	0.8
56.04985	0.3
59.49656	0.3
68.19225	0.3
69.07054	3.0
69.90315	1.3
69.90736	0.8
70.06557	0.4
71.92047	0.3
81.03409	0.3
82.06546	0.8
84.08122	0.7
86.09698	19.4
91.05456	1.5
93.07028	2.4
94.06548	0.4
95.04955	0.9
96.07505	0.4
96.08118	7.2
103.05453	5.2
105.07017	1.5
107.04929	0.9
108.08097	0.5
110.09663	4.3
111.10437	2.3
112.11244	0.7
117.07005	0.6
118.06539	0.4
119.04942	1.1
120.08089	100.0
121.08467	0.8
126.09106	0.4
127.03922	0.3
130.06445	0.4
131.04970	0.5
132.08084	2.0
133.06537	0.4
134.05998	0.7
135.06805	0.4
136.07600	1.2
138.09116	0.3
143.04935	1.1
145.06491	0.9
145.33006	0.3
146.05980	0.5
147.04376	4.0
155.11790	1.9
160.07558	17.0
161.05995	0.5
163.03871	0.6
164.07079	1.3
165.05452	1.2
166.08583	0.4
171.04410	3.0
177.10204	2.7
188.06941	0.3
188.14322	4.2
189.05447	4.5
206.08112	13.9
223.10724	7.6
233.16527	1.2
236.64346	0.4
245.16501	0.8
246.14915	0.5
249.10126	0.6
261.15945	1.7
263.11877	0.4
264.12119	0.9
265.10223	0.3
265.13461	0.7
266.13760	0.6
279.11298	0.5
280.11554	0.8
281.16257	0.4
290.18607	4.1
291.16937	5.0
291.19809	0.3
298.12601	0.4
301.15720	0.4
306.25891	0.3
309.12509	1.3
310.12704	2.2
311.13516	0.7
318.17932	1.5
325.15613	0.6
329.15131	1.2
336.19147	18.6
337.11932	0.9
338.12222	1.8
339.13025	0.7
347.16208	1.1
353.14886	12.6
364.18625	11.1
369.14691	1.4
370.13617	0.5
370.17947	9.9
371.15726	0.7
386.89639	0.4
437.25830	0.4
438.23999	0.8
465.24792	2.3
466.23297	4.2
483.25986	17.4
484.26685	0.5
493.24466	2.1
494.22836	6.9
511.25601	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	511.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
56.96290	2.7
56.96556	30.7
57.03430	3.3
61.02918	4.8
66.50939	1.6
68.05016	1.9
69.03424	11.3
70.06567	2.7
70.98107	2.9
71.04974	1.8
71.76253	1.6
71.78705	2.0
73.02913	2.7
74.97591	1.7
79.05471	1.6
81.03406	4.6
82.99874	1.7
84.08157	2.1
84.96021	2.7
85.02886	25.3
86.06042	1.4
88.99142	4.2
91.05441	2.3
95.04955	1.6
97.02867	9.8
98.97568	47.1
101.00851	8.4
105.07058	1.7
107.00187	2.8
107.04928	2.5
109.02868	5.5
110.97566	2.6
112.07578	1.6
113.00893	2.0
114.09131	2.4
115.02409	3.0
116.98604	37.1
119.01910	29.8
119.04936	4.8
120.08086	1.9
121.01670	2.5
127.02402	2.2
127.03915	7.7
128.98579	10.6
130.08623	5.4
131.00203	2.4
131.01903	14.9
131.05537	4.0
133.03448	4.7
134.99651	20.9
135.04398	2.4
136.06183	2.6
137.02917	4.6
137.05959	14.7
140.07036	2.4
142.96552	2.0
143.00127	3.8
143.01877	68.7
144.01979	2.8
144.98087	2.0
145.01660	6.8
145.03479	8.4
145.04941	4.6
146.99637	25.3
147.01329	4.1
147.04243	9.8
148.04779	2.0
149.01132	3.3
149.02940	1.9
149.06607	9.3
153.00644	2.6
155.00137	1.5
155.00615	2.3
155.01866	23.2
156.97992	1.6
157.03444	3.4
158.99640	20.4
159.05035	5.2
160.09703	1.7
160.97609	3.3
161.01378	4.3
161.02942	100.0
162.03073	4.5
162.99117	5.4
163.02710	7.0
163.03978	6.0
165.00687	22.0
167.05602	1.7
167.06989	3.3
171.01443	3.3
171.04964	2.1
171.99608	3.8
172.97623	4.2
173.01421	3.3
173.02953	27.9
173.04494	2.6
173.05066	2.8
173.06566	24.3
174.99181	6.5
175.02710	2.7
175.04568	4.2
177.00682	21.9
177.06064	2.1
179.07014	6.6
182.00790	1.6
183.01643	3.2
183.04993	2.3
184.04565	5.3
184.97607	2.1
185.02972	6.1
185.04959	3.3
185.06564	25.4
186.99207	3.0
187.00777	1.7
187.02843	2.3
187.04587	2.4
187.08156	7.3
188.97054	9.1
189.00714	6.2
189.02463	2.1
189.04303	5.2
189.05971	2.5
190.98636	11.0
191.02367	4.0
191.04097	2.0
191.05945	2.4
191.07584	7.6
193.00145	10.3
195.01672	2.5
197.06433	2.1
199.04361	1.9
199.08141	4.1
200.97087	2.6
201.00716	3.5
201.02446	1.8
201.04312	2.2
201.06076	2.0
202.98633	4.8
203.02266	3.0
203.03954	9.1
203.05852	2.2
203.07596	14.4
205.00188	16.3
205.03770	4.0
206.98094	4.0
207.01770	2.9
208.99635	3.3
215.05856	3.6
215.07639	12.4
217.00223	1.7
217.05591	2.0
217.09239	1.9
218.98270	3.2
219.01714	13.1
219.06975	1.7
220.99655	3.7
221.05048	19.8
223.01218	14.8
223.04807	4.4
227.07532	3.2
228.01698	1.7
230.98137	3.0
231.03539	4.2
232.99512	10.0
233.08685	4.8
235.01195	1.9
237.02757	21.8
237.06252	2.3
240.05125	1.8
245.04961	6.8
247.01237	5.1
248.99088	3.8
249.04491	3.3
251.00647	3.7
255.03676	1.8
257.08704	6.2
260.99191	1.8
263.00693	4.1
270.97556	2.4
272.99158	2.0
275.00726	6.2
275.09592	23.9
277.02130	3.5
280.06924	2.2
288.98383	3.7
290.05890	1.7
291.07510	4.5
293.01825	3.2
293.10773	66.9
294.11075	2.4
295.10452	3.3
298.08130	1.9
303.00311	3.9
303.09268	5.2
309.08554	18.4
316.12378	3.4
321.01401	3.6
321.10333	16.8
330.99628	6.1
333.01242	2.2
333.05820	2.0
333.10165	5.7
335.02786	21.9
335.09824	9.3
337.07910	1.8
337.11737	1.8
349.00757	6.0
351.09393	13.1
353.11221	3.6
361.09729	10.4
362.10086	2.6
363.02072	2.3
363.10818	2.2
377.07449	2.1
381.10388	2.8
391.01648	9.9
391.10602	5.2
402.34976	1.8
407.12228	4.2
409.02771	2.8
415.09421	2.8
419.10391	4.6
423.13422	76.3
424.13785	2.1
451.04190	1.9
451.06558	2.5
451.12839	24.6
463.17416	2.0
469.05026	2.1
501.12363	1.6
511.10715	2.7
511.18478	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	510.3544
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	0.6
55.98147	0.4
56.05015	0.9
57.03423	0.7
57.07064	5.7
58.06595	1.1
60.08154	16.6
67.05489	1.3
69.07045	1.0
69.51502	1.3
69.51942	1.6
70.06575	0.2
71.06982	0.5
71.07361	7.1
71.08623	3.5
81.07030	1.9
82.23992	0.3
83.08604	1.0
85.10164	2.3
86.09692	50.7
87.10012	0.3
89.06053	0.3
93.07015	0.4
95.08579	2.8
97.10163	0.6
98.98461	3.3
104.10723	100.0
109.10137	1.2
123.11707	0.3
124.99981	27.4
163.01546	0.6
181.02553	0.4
184.07312	98.4
185.07684	0.8
224.93375	0.3
239.23613	1.6
258.11011	1.2
267.37634	0.3
313.27301	7.0
327.28894	2.3
331.28500	0.5
352.51022	0.3
366.35196	0.3
477.51230	0.4
492.34424	10.0
510.35492	45.1
511.35846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.9
53.90852	1.1
55.01851	3.7
55.05502	1.6
57.03416	4.3
57.07050	2.1
59.04991	10.8
60.04514	2.2
61.02916	7.1
63.00829	0.9
63.93893	0.9
65.03900	0.9
67.05494	5.8
69.03417	18.5
69.07037	2.3
70.06584	1.5
71.04984	15.7
71.79184	1.7
73.02908	3.1
79.05478	7.0
81.03404	7.5
81.07040	24.2
83.04933	1.1
83.08604	1.7
84.08105	1.4
85.02891	85.9
86.09689	2.4
87.04441	1.5
91.03916	4.2
91.05434	5.1
93.07036	15.3
95.04939	5.0
95.08579	3.6
97.02874	19.6
99.04436	5.0
101.02409	1.2
101.34228	1.0
103.03894	1.3
105.04453	1.2
105.07037	5.3
107.04910	1.4
107.08582	14.4
107.09295	1.4
109.02864	7.4
109.06499	10.1
109.10143	22.3
111.08065	9.7
114.09136	3.0
115.03862	1.4
116.98605	1.4
119.04920	1.6
119.08530	2.8
120.08071	1.1
121.10113	1.9
123.08052	2.3
123.11686	35.1
124.05164	1.0
127.03890	20.1
133.10117	15.8
135.11656	1.8
136.06154	1.4
136.07512	2.4
137.05949	1.3
138.05463	1.5
139.11153	0.9
140.06985	2.1
142.08548	1.0
145.02910	1.4
145.04938	26.9
145.10168	1.8
147.04378	2.1
151.11153	100.0
153.12697	2.2
163.03848	1.5
163.05998	10.5
164.07002	1.8
169.12218	28.3
175.03827	1.3
175.14688	2.3
177.05502	1.4
185.96277	0.9
216.03368	1.6
222.11670	1.5
227.16425	1.5
235.08575	1.2
235.12292	1.6
236.09538	1.1
237.10193	6.2
237.13799	2.3
248.09396	3.7
249.10234	6.4
250.10927	4.8
251.11726	6.0
262.10846	1.3
263.11752	13.9
264.12442	2.5
265.09717	6.2
265.13324	16.7
277.09830	2.4
279.11197	9.8
285.16998	1.1
291.11163	4.0
292.12012	1.6
293.12750	2.4
295.10733	3.9
295.15356	3.4
297.12350	2.8
304.04910	1.4
304.08115	1.4
309.12326	30.7
310.13058	12.2
311.13602	2.0
313.16336	6.8
319.10724	4.4
325.11313	5.0
330.26273	1.8
331.13605	1.2
331.17511	17.6
337.11765	59.3
338.12573	18.9
348.27319	1.6
355.12909	1.1
369.14371	19.1
370.15231	6.5
387.09119	1.0
419.07828	1.3
475.97031	1.1
478.19708	11.0
492.31436	1.0
510.22357	5.0
510.32251	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	510.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50829	0.7
52.66026	0.8
60.94731	0.9
65.53532	0.9
67.05495	1.6
69.03419	1.8
69.07069	1.7
70.06579	1.3
71.04976	1.0
71.80048	0.9
72.08164	1.1
73.02911	0.7
79.05497	1.4
81.03384	1.7
81.07051	2.7
83.04932	0.8
85.02875	1.8
86.09711	1.2
89.03906	0.9
91.05457	1.7
93.07010	2.2
94.06548	3.0
95.04944	1.0
95.08588	3.0
96.08096	1.3
97.06508	1.2
105.06994	2.1
107.08599	1.6
109.02837	1.1
109.10131	2.1
110.96999	0.9
114.09174	2.3
114.12769	3.3
115.13104	2.2
118.06503	1.2
119.08575	3.0
120.04448	2.4
120.08086	2.5
121.05276	1.5
121.06422	0.7
122.06021	3.2
123.08103	0.9
124.07574	22.3
124.08341	0.8
127.03939	1.3
130.08592	1.1
131.08621	0.9
133.10092	1.9
135.11670	1.2
136.03862	1.2
136.07555	1.3
137.05952	1.5
138.05473	1.2
144.04436	2.3
145.10045	1.5
146.06023	4.2
147.04382	1.0
147.06715	1.6
147.11685	1.0
149.05972	1.3
150.05449	1.1
152.06943	1.3
154.04959	2.0
162.05453	1.7
164.07051	2.1
166.05025	1.1
172.03928	8.9
173.04643	1.0
174.05472	6.3
175.14824	3.1
176.07104	1.1
190.05006	2.4
191.05722	1.7
197.10707	1.0
204.06566	8.7
206.08138	3.5
207.06606	0.9
207.26755	1.1
208.09772	1.1
209.10770	2.3
211.12245	1.9
212.09438	2.4
219.10263	1.1
222.11551	1.5
223.12366	3.0
224.09416	2.5
225.10222	7.9
234.11513	0.9
235.08640	5.0
235.17499	0.9
236.09354	6.6
237.10185	24.9
238.11031	2.1
239.11752	5.0
245.12831	2.2
248.09415	1.5
249.10345	5.6
250.10950	5.0
251.08064	1.9
251.08897	1.5
251.11783	21.2
252.08908	3.5
252.12534	2.7
253.09718	7.2
253.13336	1.9
254.10432	1.5
255.11240	4.4
263.11703	6.4
263.14014	1.0
264.08841	1.5
264.12604	1.5
265.09698	30.7
265.13278	5.9
266.10358	4.8
267.11246	16.9
269.12723	4.3
277.09879	1.1
278.06586	3.1
278.10306	1.6
279.11240	31.3
280.07901	0.8
280.12003	3.6
281.12714	3.6
283.10773	3.7
284.11459	2.0
285.12238	1.8
291.11179	2.6
291.14282	0.9
292.11923	1.1
293.09207	22.1
293.12625	1.8
294.09918	5.9
295.10730	21.6
295.14047	1.4
296.11307	1.3
297.12311	19.1
298.13263	1.0
307.10825	8.1
308.11398	1.2
309.12286	19.0
309.15607	1.6
310.13028	3.4
311.10135	3.4
311.13620	1.7
312.10941	2.6
313.11752	10.4
315.13232	5.4
319.10803	1.9
324.10760	0.9
325.11777	34.2
326.12451	3.3
327.13159	0.9
329.14963	3.9
335.10211	21.3
335.14041	1.6
336.10846	1.0
336.19614	1.0
337.11752	21.5
338.12537	5.0
353.11273	100.0
354.11823	4.8
355.12927	3.2
358.15021	1.2
369.14407	11.6
370.15244	2.9
371.12222	1.2
385.13931	10.4
387.15396	1.5
434.20676	2.4
436.18561	1.6
450.20413	5.8
460.18796	2.1
478.19705	76.2
479.19846	3.0
496.20438	1.3
510.22415	12.4
510.29666	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	510.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	0.2
69.07058	0.8
70.06541	0.1
70.85021	0.1
70.85411	0.2
79.05469	0.1
80.04961	0.1
85.02872	0.1
91.05452	0.1
93.05741	0.1
94.06545	0.6
95.04926	0.2
96.08158	0.1
98.20613	0.1
108.08046	0.2
109.06477	0.1
120.04439	0.5
120.08073	0.2
122.06011	0.9
124.07520	0.1
131.07237	0.1
132.08112	0.1
134.05904	0.1
136.07552	2.4
137.05910	0.1
138.05464	0.2
140.05997	0.1
140.07037	2.1
144.08015	0.2
145.08755	0.1
146.05986	0.4
146.08548	0.1
146.09608	1.5
148.07509	0.1
152.07104	0.1
154.04942	0.6
154.08524	0.1
162.05501	0.5
162.09041	0.1
164.07034	3.3
166.08609	0.2
172.03792	0.1
173.06989	0.1
174.05406	0.1
175.14847	0.1
176.06955	0.1
180.08034	0.1
181.08818	0.1
194.09578	0.3
196.11224	0.1
206.08226	0.3
207.09140	0.3
208.09694	0.1
209.08867	0.1
209.10713	0.3
210.09311	0.1
210.11462	0.3
211.08607	0.3
211.12321	0.2
219.09215	0.3
220.09879	0.9
221.10690	1.4
222.09299	0.2
222.11412	1.9
223.08656	0.1
223.12218	1.5
224.13028	0.3
225.10143	0.1
225.13879	0.2
232.09911	0.3
233.10696	0.2
234.11516	0.3
235.08598	2.6
235.12259	2.5
236.09306	0.9
236.12944	0.8
237.10161	7.2
237.13815	2.7
238.10890	0.9
238.14629	0.3
239.11720	1.0
245.10715	0.2
245.78828	0.1
246.09146	0.1
246.11375	0.3
247.08525	0.6
247.12334	0.8
248.09369	5.4
248.13086	0.2
249.10167	8.2
250.07115	0.1
250.10959	5.8
251.11754	9.4
252.12337	0.7
253.09668	0.2
253.13255	0.8
254.10483	0.2
255.11188	0.4
261.10190	0.3
262.08087	0.1
262.11005	1.1
263.11743	21.6
264.08975	0.6
264.12463	4.0
265.09717	7.8
265.13293	28.4
266.10297	0.5
266.13885	1.8
267.11209	0.8
267.14328	0.1
268.12152	0.4
269.12732	0.2
275.11816	0.4
276.08914	0.4
276.12573	0.1
277.07306	0.1
277.09653	4.8
278.10422	1.4
279.11230	17.2
280.11829	0.9
281.12775	1.1
282.13580	1.1
282.62576	0.1
283.14368	0.7
290.10437	0.1
291.11215	7.3
292.12009	2.0
293.09988	0.1
293.12784	4.7
294.09985	0.4
294.13538	1.4
295.10730	5.8
295.14230	0.3
296.11557	0.9
297.12302	5.0
297.14944	0.1
298.12732	0.2
304.08365	0.2
309.12265	47.6
310.13025	17.8
311.11075	0.1
311.13754	2.9
319.10730	8.3
320.11343	0.8
321.12497	0.2
323.14038	0.1
325.11810	0.3
325.15500	0.1
337.11749	100.0
338.12494	29.3
338.20966	0.2
339.13211	1.9
341.14801	0.2
342.15433	0.1
351.13336	0.2
352.14075	0.2
355.12979	0.3
369.14386	27.7
370.15106	8.7
371.15817	1.0
434.20544	0.5
436.18881	0.1
450.20181	1.7
460.19080	0.3
478.19662	17.1
479.19580	0.6
496.20633	0.8
510.22275	4.1
511.23071	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	509.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26394	1.1
53.03943	2.0
55.01854	1.9
55.05502	19.6
57.03423	3.4
57.07071	15.4
59.07110	1.0
61.02912	1.3
62.01514	1.2
65.03929	1.3
67.05498	27.1
69.03412	5.8
69.07059	64.8
70.06586	1.4
71.04987	1.8
71.08617	7.9
79.05486	12.6
81.03404	5.0
81.07047	100.0
83.04956	2.6
83.08610	35.9
85.02901	17.3
85.06532	8.8
86.09689	2.5
91.03960	1.4
91.05468	6.4
93.07030	22.0
95.04967	4.6
95.08596	87.9
96.08956	1.8
97.02882	6.6
97.06516	5.1
97.10152	22.8
97.10762	0.8
99.08084	6.3
105.07028	6.8
107.04929	2.8
107.08579	22.9
109.02862	2.5
109.06503	2.5
109.10146	58.9
111.08062	4.0
111.11710	23.2
113.09584	2.3
114.09161	4.0
114.12782	4.1
117.06999	2.6
119.08544	5.0
120.08089	1.9
121.06489	2.3
121.10130	15.9
123.08070	3.5
123.11688	41.9
125.09609	4.1
125.13245	16.7
127.03938	5.2
131.04921	1.3
131.08539	2.6
133.10091	3.2
135.04289	1.2
135.11679	9.4
137.05940	4.0
137.13240	33.3
137.14287	1.9
139.11142	2.0
139.14825	4.6
145.04945	5.5
145.10115	3.5
147.04321	1.6
147.11639	2.8
147.87621	1.3
149.09541	1.4
149.13231	34.4
151.11090	1.8
151.14810	12.9
153.12860	1.3
153.16353	2.4
155.14287	7.5
158.11783	1.2
159.11676	3.1
161.09601	2.0
163.03864	2.1
163.06007	2.0
163.14830	8.4
165.16377	10.8
167.14285	18.8
169.15855	5.5
171.11633	2.0
173.13202	2.6
175.14795	1.6
177.05440	3.4
177.16376	3.3
179.17978	8.2
180.44217	1.2
181.15826	1.4
183.17429	3.3
191.17943	2.0
193.19478	5.1
197.18901	1.4
205.19498	4.1
207.21017	2.1
219.21046	3.1
223.20609	1.6
249.25816	3.1
275.27325	20.0
277.80737	1.3
279.11346	2.6
293.28342	59.2
295.22253	1.4
311.29437	10.6
419.31107	1.4
455.34109	1.3
456.64264	1.5
473.35269	3.5
478.19241	1.9
509.28076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	19.4
55.28661	3.5
56.98914	3.1
57.07059	15.5
58.59439	3.2
61.07125	3.2
67.05489	30.0
67.79134	3.1
69.03431	4.1
69.07056	62.6
71.08601	4.8
77.63096	3.4
77.69558	3.4
79.05482	10.2
81.07040	100.0
81.58887	3.3
82.22804	3.8
83.08598	38.4
85.02882	12.9
85.06545	6.3
91.05478	5.1
93.07022	13.2
95.08588	96.1
97.10152	23.0
98.21401	7.3
98.44587	3.1
99.08068	5.5
105.07004	5.1
107.08549	19.4
109.10148	57.2
109.29685	4.3
111.08035	3.7
111.11710	19.9
114.76413	3.4
115.84220	3.3
121.10122	12.6
123.11687	37.3
125.13241	21.1
135.11664	9.9
137.13217	43.1
139.14775	6.4
145.04987	3.9
149.13220	23.9
151.14822	9.6
163.14780	7.3
165.16458	6.8
167.14325	12.0
169.15781	5.9
177.16275	4.1
179.17876	6.5
197.18959	4.1
205.19508	3.7
205.36157	3.1
210.66690	3.2
237.10271	4.2
251.11824	3.9
263.11789	17.6
265.13220	19.8
275.27286	16.2
279.11279	11.6
281.28482	5.1
291.11368	5.2
293.28351	47.4
295.10828	4.0
309.12195	31.7
310.13235	8.2
311.13559	5.3
311.29321	11.3
319.10669	4.1
337.11731	55.9
338.12546	15.5
369.14468	17.3
370.15198	4.6
435.76443	3.8
478.19415	14.8
510.22018	3.9
512.80200	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	509.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01850	4.2
55.05497	24.2
57.03417	3.0
57.07064	15.5
59.04982	1.9
65.03922	2.1
67.05490	37.6
69.03416	5.6
69.06678	3.6
69.07054	56.0
70.06742	9.5
70.31411	1.8
70.38949	1.6
71.04974	6.3
71.08612	6.0
78.12647	1.7
79.05480	17.1
81.03400	4.2
81.07041	100.0
83.04988	3.1
83.08603	35.4
85.02885	13.1
85.06503	9.9
85.10130	2.0
90.87146	1.8
91.05457	11.4
93.07022	28.3
95.04951	8.3
95.08590	90.0
96.08928	1.8
97.02877	2.5
97.06520	6.9
97.10152	25.2
99.04469	2.2
99.08053	6.6
99.68156	1.7
105.07031	8.0
107.04958	5.7
107.08571	29.0
109.02883	3.0
109.06519	7.1
109.10139	65.6
111.08067	5.9
111.11691	18.8
113.09613	4.6
117.07000	4.3
119.08569	6.2
121.06498	2.8
121.10133	21.6
123.11689	35.8
125.09606	4.3
125.13249	16.8
127.03876	2.7
131.08525	4.9
133.06461	2.5
133.10115	4.1
135.08049	1.8
135.11673	12.1
137.05981	2.3
137.13223	34.6
139.14815	6.2
145.04959	3.2
145.06468	3.0
145.10130	4.3
147.11700	3.1
149.09576	2.2
149.13237	34.6
151.07535	2.7
151.14757	14.5
153.09174	2.2
153.12723	2.2
155.14255	9.0
157.10097	2.0
159.11739	3.2
161.09552	3.0
163.06017	2.8
163.11218	3.4
163.14761	11.2
165.16393	13.4
165.40048	1.9
167.14281	24.7
168.13013	1.7
169.15910	4.2
175.14816	2.3
177.16373	6.2
179.17963	7.5
183.17493	2.2
191.17879	2.9
193.19505	4.8
197.18979	2.0
205.19543	2.5
206.45842	1.9
219.10172	3.5
219.13858	4.0
219.21005	3.9
233.15321	1.8
247.24225	2.2
249.25684	3.2
264.12216	1.7
275.27277	21.1
293.17511	4.3
293.28360	46.6
293.31622	2.6
311.29327	9.5
337.11597	2.3
349.21552	2.0
367.22577	6.0
368.22958	2.5
369.14352	2.7
385.23825	6.2
403.24686	2.8
459.27292	8.8
477.28317	4.6
491.30130	2.1
509.27533	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	509.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40018	3.4
53.03928	11.0
53.29623	4.0
53.40775	3.4
55.01856	18.7
55.05258	6.8
55.05503	58.4
57.03416	20.6
59.04994	3.7
66.42090	3.5
67.05496	79.2
69.03407	11.8
69.07066	30.0
70.85217	12.2
71.04989	21.7
79.05484	85.2
81.03416	24.2
81.07049	98.5
83.04960	18.3
83.08607	29.1
84.48507	3.9
85.02877	8.6
85.06521	12.1
87.04469	3.7
91.05475	60.4
92.05764	4.1
93.07035	82.9
95.04951	78.4
95.05511	7.6
95.08600	48.0
97.02856	7.1
97.06511	22.9
97.10171	46.6
103.05502	5.3
105.07008	35.4
107.04947	57.5
107.08574	55.1
109.02869	5.1
109.06501	70.9
109.10142	29.1
111.04398	4.7
111.08047	6.1
117.07011	22.2
119.04919	6.0
119.08574	35.3
121.06493	39.8
121.10130	49.1
123.04393	11.7
123.08010	18.6
123.11729	11.5
125.09609	41.9
127.03885	9.2
129.06987	19.1
131.04861	9.9
131.08540	38.4
133.06456	8.6
133.10094	21.5
135.04420	5.7
135.08035	32.5
135.11726	8.4
137.05948	7.9
137.09619	5.5
141.06990	5.3
143.08528	15.3
145.06465	19.6
145.10103	26.6
147.08052	14.5
147.11630	12.7
149.09602	12.9
153.09082	7.4
153.12755	6.2
155.08560	7.2
157.10074	10.0
159.08102	10.9
159.11659	16.0
161.05957	5.7
161.09669	9.0
163.07474	4.6
163.11140	23.3
165.09120	4.5
167.10638	16.2
169.10095	6.0
171.08070	5.3
171.11656	6.6
173.09505	6.6
173.13228	10.6
175.11090	4.7
175.39948	3.7
177.12668	7.0
183.11720	6.6
189.09576	3.9
189.11180	20.9
189.12727	6.3
191.14304	13.2
197.13243	6.4
199.13258	27.6
201.12706	7.9
205.12288	5.5
211.11151	4.8
211.13193	4.4
213.12637	5.2
215.14297	5.2
219.10254	5.5
219.13789	50.9
223.13245	11.1
227.12746	17.7
231.13832	4.4
233.15407	10.7
237.12733	6.9
237.14850	6.5
255.13733	4.6
261.14798	4.9
267.15930	12.7
273.14664	11.1
273.17148	23.1
275.16422	7.4
293.17477	38.8
315.44025	3.9
339.23026	7.0
349.21512	23.0
357.24106	8.6
367.22574	62.7
385.23749	82.1
403.24832	27.0
405.24338	5.6
417.26273	9.3
441.26147	17.6
459.27402	100.0
473.35751	6.1
477.21616	6.4
477.28278	47.8
491.29874	39.9
491.36334	13.7
509.30841	20.2
509.37329	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.2
55.01861	12.4
55.05500	50.7
57.03417	12.7
59.04990	3.2
59.58279	2.2
63.09883	2.1
67.05492	70.6
69.03412	13.8
69.07056	21.0
69.52454	25.1
70.06591	2.6
71.04980	17.7
75.15028	2.0
79.05476	63.5
79.05917	4.5
81.03394	26.0
81.07038	66.9
83.04961	15.6
83.08604	25.6
84.68719	2.1
85.02886	10.5
85.06522	7.1
91.05459	47.8
93.07024	61.1
95.04951	57.8
95.08597	33.8
97.02869	4.9
97.06510	11.5
97.10154	40.0
99.04421	4.1
105.07005	33.3
107.04927	49.4
107.08571	41.8
109.06493	46.8
109.10131	26.6
111.04437	3.5
111.08060	6.9
115.05459	3.3
117.06991	22.2
119.08561	20.9
121.06471	34.2
121.10112	23.6
123.08028	10.6
123.11700	6.8
125.05969	2.6
125.09592	34.6
127.03902	7.5
128.06183	4.1
129.07002	13.7
131.04877	3.7
131.08553	24.6
133.06467	7.7
133.10068	13.9
135.08023	19.1
135.11693	9.9
137.09596	5.6
139.11172	3.4
141.06993	3.7
143.08528	6.8
145.06442	15.5
145.10109	18.8
147.08026	11.6
147.11679	9.5
149.05826	2.2
149.09572	11.1
149.13232	3.4
153.09073	8.3
155.08514	8.2
157.06462	4.0
157.10117	8.7
159.08012	5.5
159.11678	8.7
161.05997	2.2
161.09573	4.1
161.13164	3.3
163.11221	16.0
163.14851	2.1
165.12708	3.1
167.10674	8.6
169.10135	5.4
171.08031	5.3
171.10225	3.0
171.11655	5.3
173.09592	6.6
173.13223	6.3
175.07561	4.3
175.11179	6.6
177.12810	5.3
181.06422	2.3
181.10100	4.7
183.11775	4.2
187.11232	5.5
187.14871	4.2
189.09569	3.1
189.11209	15.6
189.12679	3.6
191.14244	7.7
193.12248	9.9
195.11757	3.3
197.13271	4.6
199.11354	3.9
199.13280	14.1
201.12775	3.0
205.12257	6.1
213.12621	2.4
215.14279	7.0
217.12112	2.4
217.14172	3.1
219.13771	30.6
223.11230	3.8
223.13293	8.0
225.12668	2.7
227.12589	13.8
233.13350	2.4
233.15303	12.7
237.12726	4.1
237.14867	3.3
241.14359	3.1
249.14862	3.0
255.13779	4.6
267.15829	12.3
273.14725	9.7
273.17282	15.6
275.16409	5.6
283.16922	3.1
287.16507	2.3
293.17456	24.8
339.23300	5.5
349.21539	17.2
357.24094	6.3
367.22586	56.5
385.23660	79.6
386.23993	4.0
403.24698	21.6
405.24307	3.6
417.26218	5.2
441.26508	13.6
459.27347	100.0
477.28357	51.4
491.29886	22.3
509.30905	14.9
509.36908	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	509.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40726	0.4
60.99306	0.4
67.05454	0.5
69.03387	0.8
69.07033	0.6
70.06543	1.5
71.53024	1.0
72.08144	0.7
81.03398	1.1
81.06987	0.5
83.46752	0.4
84.08092	0.7
85.02859	1.4
86.09661	1.5
91.05447	0.9
93.06992	0.8
94.06535	0.5
95.04937	0.7
95.08556	1.1
97.02856	0.4
106.06551	0.6
107.08585	0.5
108.08044	0.5
109.02843	0.7
109.10075	0.6
110.06010	0.5
114.09130	0.5
119.08525	0.5
120.08108	3.7
120.08884	0.8
121.08881	0.7
121.10124	0.4
122.02332	1.8
123.02665	0.6
123.04419	0.6
123.07966	0.5
124.07516	0.6
127.03880	1.0
127.51891	0.4
133.10121	0.5
134.05887	0.5
134.09604	0.5
135.04349	0.5
136.03894	1.9
136.07530	1.0
136.44550	0.4
137.04253	0.7
137.05922	1.4
140.03371	1.0
141.03677	0.6
142.15514	0.4
144.08029	0.4
145.02841	0.8
147.04318	1.4
148.07613	0.5
149.19992	0.4
151.03856	0.6
154.04941	1.9
155.05260	0.4
161.06035	0.5
163.03891	1.3
166.04953	0.5
166.08559	0.7
175.07512	0.7
177.05405	1.7
179.09363	1.2
180.10175	0.8
184.11266	0.8
185.10664	0.7
186.08987	0.5
186.11476	1.0
189.09079	0.6
199.08649	1.5
199.12288	2.5
200.10852	0.6
200.13031	2.5
201.10101	0.6
211.08609	1.9
212.09286	2.3
213.10205	6.4
214.10924	2.1
215.11746	2.3
225.10225	0.8
226.10902	1.1
227.11765	7.6
228.12546	4.6
229.13318	2.0
231.11227	1.3
239.11935	0.6
239.85049	0.4
241.09682	1.3
241.13368	1.6
242.11841	0.6
243.11316	2.1
245.12820	5.4
250.07042	0.5
255.11305	5.3
256.12036	7.6
257.09094	0.8
257.12833	6.4
259.10718	1.3
259.14362	4.8
269.12936	2.1
271.10706	1.1
271.14236	1.0
272.11600	0.7
273.12308	28.9
274.12534	0.5
283.10675	0.8
284.07483	0.6
285.07779	0.6
285.12332	1.2
286.13022	3.3
287.13861	25.7
288.14590	3.3
293.13831	0.8
297.12292	0.9
298.12598	0.5
299.13791	0.5
301.11758	0.8
315.13345	64.4
316.10388	1.0
316.14069	15.9
317.10513	0.9
317.14212	0.5
371.12555	0.6
396.18817	0.5
413.13446	0.6
431.14334	4.8
459.87909	0.4
473.15677	1.2
478.15445	0.6
491.16544	100.0
492.16733	2.9
509.17511	3.2
509.24231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05013	0.6
57.05794	0.8
58.06590	5.2
61.53069	0.1
62.61890	0.1
66.94937	0.1
67.05486	0.5
68.04996	0.1
69.03391	0.2
69.07058	0.7
69.62797	1.2
70.06570	0.4
71.04971	0.1
71.07357	0.8
72.08143	11.6
79.05476	0.3
81.03381	0.2
81.07053	1.1
82.07359	0.3
83.08575	0.2
84.08128	0.2
85.02905	0.2
86.09699	0.4
91.05488	0.3
93.07021	0.4
94.07375	0.2
95.08592	0.8
96.08926	0.4
97.02905	0.2
100.11239	1.7
103.05425	0.2
105.07034	0.4
106.07349	0.1
107.08571	0.8
108.08897	0.2
109.02808	0.2
109.10152	0.7
110.10490	0.4
114.12788	100.0
115.13132	0.7
117.07018	0.2
119.08537	0.3
120.08892	0.1
121.10113	0.5
122.10445	0.2
123.08035	1.4
123.11698	0.4
124.08392	0.6
124.11965	0.1
127.03907	0.2
133.10106	0.4
135.11685	0.3
136.11998	0.1
137.05885	0.7
137.13245	0.2
138.13577	0.2
140.29753	0.1
145.02859	0.2
147.11690	0.1
149.13222	0.3
150.13652	0.2
151.03809	0.1
151.07536	0.3
157.86980	0.1
161.06055	0.2
163.03929	0.1
175.11195	0.2
177.05443	0.5
177.09132	0.2
178.05701	0.2
181.12524	0.1
197.09480	0.2
204.18413	0.2
207.33510	0.1
234.31262	0.1
280.27335	0.1
292.27109	0.2
309.12231	0.2
310.28305	0.3
349.25027	0.2
359.23282	0.3
362.52103	0.1
363.19022	0.2
373.13940	0.2
377.24292	1.3
383.14944	0.2
384.15070	0.2
384.28519	3.2
385.38440	0.1
387.15390	0.2
395.25366	0.3
418.30252	0.2
472.35007	1.9
490.19986	0.3
490.32776	0.6
501.42831	0.2
508.33771	8.7
509.33972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01863	0.2
57.03416	0.2
61.02921	0.2
61.52773	0.1
69.03410	0.8
69.53773	0.5
69.54179	0.9
70.06590	0.3
71.04984	0.4
72.08121	0.3
73.02895	0.3
78.04701	1.4
79.05478	0.4
80.42474	0.2
81.03404	1.7
81.07034	0.2
85.02888	3.8
86.09684	0.4
90.99263	0.2
91.05463	0.3
95.04954	0.4
97.02876	2.3
99.04436	2.6
103.03924	3.4
106.04159	0.8
107.04945	0.4
108.04446	0.4
109.02853	1.2
114.09136	0.4
115.03896	0.2
120.08033	0.2
122.03628	0.3
123.04411	3.7
124.05199	1.4
127.03887	5.3
130.08655	0.8
134.03546	0.2
135.04391	0.4
136.07547	0.8
137.05937	0.3
145.02826	0.2
145.04944	2.1
147.04385	0.2
151.03900	0.7
152.04678	1.1
163.03897	1.8
163.06000	1.1
167.07007	100.0
168.07397	0.9
177.05429	0.3
185.16428	0.2
187.64626	0.2
190.50948	0.2
271.08090	0.3
296.12207	0.3
346.17017	0.2
405.60333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14471	1.9
55.05504	14.7
57.03432	2.0
57.07069	36.7
64.99268	1.7
67.05492	40.5
69.07064	15.4
70.53487	1.9
70.93545	3.6
70.93939	3.4
71.04994	1.7
71.08620	24.8
73.23448	1.8
76.30891	1.9
79.05487	18.5
81.03389	2.4
81.07049	57.3
83.04975	2.7
83.08614	20.5
85.06504	3.2
85.10175	14.5
85.46297	1.8
87.67946	1.7
91.05462	13.3
93.07030	27.8
95.04950	4.5
95.08593	28.9
97.06521	3.6
97.10166	6.0
105.07030	5.2
107.08578	14.9
109.10137	11.7
111.08093	4.1
117.07013	2.7
121.06401	1.9
121.10130	10.7
123.11694	4.8
131.08549	3.4
133.10126	6.6
135.11719	5.1
149.13254	13.1
159.11720	7.9
162.60847	1.8
164.98111	1.9
177.12779	2.7
194.12556	2.4
195.13762	11.6
199.83330	1.7
211.79892	1.9
236.61162	1.8
239.23766	4.0
275.15854	2.3
330.02350	2.1
332.95926	1.8
472.77087	1.8
507.40451	100.0
508.41037	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37989	0.4
51.02375	0.5
53.03922	1.5
55.01852	0.4
55.05493	1.0
55.33162	0.4
64.41206	0.4
65.03933	2.1
67.05483	0.7
67.39085	0.4
69.03413	0.8
69.55312	4.3
70.06564	0.9
72.08138	0.6
76.96800	0.4
77.03903	0.6
79.05476	6.2
80.04997	0.7
81.03402	5.1
81.05789	2.3
82.06566	0.7
83.04949	0.8
85.02869	1.6
89.03906	5.3
91.05441	0.6
92.04996	6.9
94.06530	0.9
95.04959	2.2
96.08107	6.3
97.02894	0.5
98.58775	0.5
99.04456	0.8
103.05373	0.6
103.15373	0.5
106.06537	43.6
108.08103	9.3
109.02863	1.7
109.05219	1.3
110.06083	0.5
114.09090	0.8
117.03362	15.8
121.06437	0.4
122.06020	0.9
123.06811	5.5
124.07571	28.8
126.05497	0.7
130.06543	1.0
134.03674	1.0
134.05994	25.4
135.04375	1.2
136.03920	0.7
136.07552	2.0
137.05975	1.3
138.05484	0.9
140.06947	0.4
145.02823	49.7
148.07468	0.6
149.05960	5.5
151.03888	1.7
152.07042	69.1
153.07472	0.6
163.03888	0.9
170.08102	50.2
171.08582	0.5
177.05440	100.0
178.05801	1.0
186.05482	1.9
195.06470	0.7
204.06544	0.9
225.91281	0.4
250.08681	1.8
267.08893	1.2
282.11267	2.0
295.08487	0.6
310.10745	2.8
314.12424	2.2
321.09674	3.8
324.26474	0.4
328.11841	1.9
332.13327	8.9
336.52490	0.5
339.10745	4.2
472.15967	0.6
490.17026	21.5
508.18079	60.6
509.18530	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05499	14.0
57.03428	2.9
57.07069	30.0
60.90565	1.2
65.03931	2.2
67.05494	44.0
69.07056	18.3
69.55344	9.3
71.04974	2.7
71.08621	23.0
79.05480	21.3
81.03408	1.2
81.07043	59.9
83.04975	3.9
83.08606	18.1
85.06528	2.6
85.10175	12.1
91.05464	11.1
93.07032	30.1
95.04947	5.4
95.08590	30.7
97.06506	6.5
97.10161	6.1
99.08092	2.0
99.11712	0.9
105.07024	4.9
107.08577	16.1
109.06464	1.5
109.10141	12.9
111.08063	4.0
111.11678	1.6
113.09635	1.2
113.10406	0.9
117.06987	4.6
119.08590	3.0
121.10122	10.6
123.11695	6.6
125.13267	1.4
131.08556	4.1
133.10117	4.6
135.08011	1.0
135.11662	4.9
137.13208	2.1
147.11635	2.1
149.13225	23.9
150.18468	0.8
159.11705	8.1
177.12761	3.4
192.33063	0.9
195.13812	9.1
213.14969	1.3
221.22621	0.9
229.14380	1.4
239.23611	8.1
249.95859	0.8
261.22113	1.4
267.16022	0.8
359.83197	1.0
421.66550	0.9
432.85913	1.0
489.35828	2.4
507.40485	100.0
508.40677	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	507.3675
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
53.03955	0.8
54.42549	0.8
55.05495	3.9
57.03436	0.8
57.07053	1.5
67.05489	6.5
67.87180	0.8
69.03424	1.2
69.07055	5.5
71.04986	6.9
71.54642	2.0
79.05490	6.8
81.03410	1.7
81.07043	16.8
83.04978	1.2
83.08602	2.6
85.02904	1.9
85.06536	1.9
91.05476	8.5
93.07031	13.5
95.04955	2.8
95.08591	16.4
97.10164	2.3
99.04461	1.0
99.08048	1.2
105.07009	14.6
107.04934	1.4
107.08579	17.6
109.06499	2.2
109.10137	16.2
111.08051	2.2
117.06998	2.7
119.08570	16.6
121.06488	2.0
121.10139	11.3
123.08059	3.4
123.11694	7.8
125.09624	5.6
127.11156	3.6
129.06975	2.2
130.07724	0.9
131.08534	7.9
133.10106	15.7
135.08028	2.9
135.11674	8.2
137.05943	2.3
137.09593	2.8
137.13217	2.0
139.11153	1.3
142.07748	1.2
143.08559	4.7
143.10648	3.5
144.09294	1.6
145.10089	12.3
147.08002	1.0
147.11647	11.9
149.09607	3.6
149.13261	5.0
151.11174	1.3
153.09184	0.9
155.08507	1.3
157.10092	5.4
159.08044	1.5
159.11670	12.5
161.09593	2.6
161.13184	9.1
163.03903	1.3
163.11150	2.4
163.14798	2.3
165.09146	1.9
165.12619	0.8
167.10660	0.9
169.10100	1.7
171.11668	4.7
173.09602	2.4
173.13202	7.4
175.11127	2.1
175.14854	4.7
177.09155	1.4
177.12717	1.3
177.16380	1.7
179.10651	1.6
181.10173	1.1
183.11639	2.4
185.13240	4.0
187.14815	3.8
189.12753	1.2
189.16408	2.6
193.15967	1.0
194.03647	0.9
195.11691	1.4
197.13274	2.2
199.14845	2.8
201.16306	4.5
203.17903	1.5
205.12215	1.0
205.15872	2.5
207.11623	1.1
209.13280	1.5
211.14871	1.7
213.16386	3.3
215.14217	1.0
215.17975	1.6
217.70468	0.9
219.17357	1.1
224.32735	0.9
227.14352	1.4
227.17865	1.4
230.16589	1.0
233.12927	1.0
239.17827	1.3
247.16794	1.6
253.19327	1.2
267.21222	1.2
271.20444	1.2
278.10324	1.2
280.11505	1.0
285.21982	0.9
285.99811	0.9
296.19354	1.4
309.11948	1.1
309.27826	1.0
335.10123	1.0
353.11166	3.3
354.11652	3.4
377.28491	1.0
395.29553	2.8
413.30389	3.8
423.32419	1.9
435.32480	3.9
441.33575	2.3
453.33493	7.2
459.87515	1.0
471.34512	13.3
475.16727	1.4
486.24042	1.5
489.35696	100.0
490.36142	2.2
507.28952	1.6
507.35046	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	507.3676
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
53.03933	0.9
55.05503	4.1
57.03413	1.1
57.07063	1.7
57.21776	0.6
65.03921	0.8
66.45388	0.7
67.05498	8.3
69.03415	1.6
69.07061	5.4
70.06569	0.8
71.04980	5.2
72.08138	1.0
73.02905	0.7
79.05482	7.0
81.03397	1.4
81.07047	18.5
83.04948	2.0
83.08605	2.4
85.02892	1.7
85.06538	2.8
91.05475	7.9
91.41223	0.7
91.73171	0.7
93.07035	15.1
95.04960	3.3
95.08598	17.7
97.02872	1.2
97.06525	2.5
97.10162	2.0
98.21465	2.0
99.08080	1.5
105.07022	17.0
107.08575	19.2
109.06506	2.9
109.10146	17.9
111.04408	0.8
111.08076	3.1
111.11714	1.4
113.09642	1.0
117.07011	3.2
119.08569	18.8
121.06516	2.2
121.10130	14.1
123.08022	3.6
123.11684	8.2
125.06015	0.7
125.09629	4.6
127.07497	0.8
127.11173	3.1
129.06972	2.2
130.07779	0.9
130.08720	0.7
131.08554	8.2
133.06499	0.8
133.10117	14.3
135.04491	1.1
135.08020	2.6
135.11668	7.2
137.05997	1.6
137.09616	3.6
137.13257	2.1
138.09894	0.7
139.11192	1.5
141.12726	1.1
143.08540	4.6
143.09712	0.6
143.10651	3.8
144.09312	0.9
145.06438	0.7
145.10101	12.3
145.11206	1.1
147.04431	1.0
147.08040	1.8
147.11655	9.5
149.09604	3.6
149.13280	5.0
151.07526	0.9
151.11185	1.4
153.12744	0.8
154.99443	0.9
155.08606	0.9
157.10104	5.0
159.08067	1.0
159.11671	13.4
161.09633	2.6
161.13243	9.8
163.03905	1.2
163.07556	0.8
163.11188	2.4
163.14835	2.5
165.09125	1.0
165.12730	1.0
169.10095	1.3
171.11705	5.6
173.09731	1.4
173.13257	7.8
175.11229	1.3
175.14833	5.6
177.12733	1.4
177.16374	1.9
179.10651	0.9
182.10889	0.7
183.11700	2.6
185.13202	4.1
187.11183	1.5
187.14830	5.0
187.42056	0.8
189.12888	0.8
189.16385	3.1
191.10680	1.0
191.14175	0.9
191.17986	0.9
195.11671	1.0
197.13263	2.5
199.14827	2.8
201.16341	4.7
203.14304	1.0
203.17909	1.2
205.15891	1.7
211.14862	2.3
213.16408	3.9
215.14397	1.1
215.17938	1.6
217.12378	1.0
217.16031	1.0
221.13115	0.9
223.14764	1.0
225.16393	1.3
227.17986	1.0
229.15878	0.9
231.17453	0.8
239.17897	1.4
245.15489	0.9
247.17021	1.1
251.18153	1.1
253.19586	1.6
255.21289	0.7
259.20673	1.1
265.19501	0.8
267.21259	1.0
273.18475	1.5
279.11087	1.2
291.26706	0.9
293.09268	1.0
301.21634	0.9
308.11377	1.4
309.12097	0.8
309.22183	0.9
312.10602	0.9
325.11987	1.7
353.11200	3.3
353.28351	1.4
354.11679	2.9
385.13947	1.4
393.31458	1.4
395.29492	3.2
413.30511	3.9
417.30692	0.9
423.32526	1.9
435.32474	3.7
441.33829	3.5
453.33606	8.1
471.34668	13.1
475.16898	1.1
486.24213	1.4
489.35703	100.0
490.36038	3.1
507.28680	1.2
507.35229	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	507.3676
Annotation	Cordianol A
Peak:m/z	Relative Intensity
53.03928	1.5
55.01853	1.2
55.05494	8.1
57.07057	2.1
59.04985	3.7
67.05489	14.3
69.03424	3.2
69.04710	1.2
69.07059	12.4
71.04970	4.6
71.18967	3.5
79.05477	12.2
81.07041	28.4
83.04971	9.2
83.08600	5.8
85.02904	2.4
85.06513	2.8
86.09697	2.6
91.05463	13.1
93.07027	28.2
95.04955	3.4
95.08593	44.9
97.06510	6.1
97.10139	3.3
99.08066	5.4
100.11237	14.0
101.11581	1.8
105.07018	23.6
107.08580	39.8
107.09315	1.9
109.06502	4.8
109.10145	32.7
111.08060	4.7
113.09595	2.3
114.09061	1.4
114.12780	2.4
117.07007	4.0
119.08555	34.3
121.06472	4.1
121.10124	39.8
123.08045	63.1
123.11674	16.8
125.09566	3.2
127.03947	1.5
127.11190	1.8
129.07037	2.0
129.37973	1.4
131.08540	13.1
133.09154	2.2
133.10103	31.5
135.08044	4.5
135.11665	33.6
137.05937	3.4
137.09607	15.2
137.13222	5.4
139.11137	2.6
141.09073	1.7
143.08496	6.4
145.06447	2.0
145.10104	18.3
147.08054	3.0
147.11658	22.5
149.05974	1.5
149.09573	5.1
149.13217	12.1
151.11133	3.7
153.09087	1.8
155.08505	2.5
155.84245	1.4
156.09212	1.3
157.10101	10.8
159.11699	17.6
161.09599	4.9
161.13232	16.1
163.07530	2.6
163.11182	3.6
163.14798	9.7
165.09106	2.2
165.12807	1.5
169.10117	3.3
171.11609	7.2
173.09521	1.8
173.13213	10.2
175.11191	4.1
175.14743	7.9
177.05447	3.0
177.09143	2.9
177.12698	3.3
177.16373	5.8
179.10686	1.8
179.14268	2.0
183.11646	3.9
185.13235	6.3
187.11116	1.9
187.14792	11.1
189.12631	2.1
189.16309	10.6
191.10693	2.0
191.14354	2.0
191.17964	8.2
193.12241	2.6
195.11853	1.9
197.13263	3.7
199.14807	5.4
201.16351	7.3
203.14307	4.3
203.17955	11.3
205.16025	1.5
207.17432	3.8
209.13187	1.7
211.14789	2.2
213.16319	4.2
215.14301	2.8
215.17943	4.3
217.15912	3.2
217.19453	3.3
219.13718	2.3
223.14873	2.5
225.16237	1.6
227.17903	1.8
229.15842	2.4
229.19508	1.5
231.13821	1.8
239.18007	2.4
243.17480	2.0
243.20964	1.6
255.21049	2.7
279.21033	1.5
283.20605	1.7
295.24155	2.5
299.20163	1.9
303.22845	1.5
313.21487	4.5
313.25192	3.5
315.23178	2.3
331.26221	8.3
337.25119	1.7
355.26248	3.8
365.28091	2.0
366.05698	1.4
369.28116	2.4
373.27341	58.8
374.27646	1.8
381.27936	1.5
383.29486	13.5
399.28906	7.6
401.30417	9.9
413.30399	2.4
417.29947	63.3
425.33963	3.7
431.31485	13.2
435.32260	3.2
436.15701	1.5
441.33401	3.5
443.34778	1.9
453.33508	10.5
471.34641	100.0
489.35718	39.1
507.36584	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	507.3677
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
52.82880	1.2
53.03934	3.6
55.01861	2.8
55.05502	28.3
57.03430	8.5
57.07076	9.0
59.04995	2.3
65.03931	3.5
67.05495	100.0
68.05827	1.8
69.03416	2.2
69.07058	21.6
69.44124	15.8
71.04971	3.7
71.08624	3.5
77.03928	1.4
79.05486	29.0
81.03410	6.2
81.07044	71.2
82.03735	1.4
83.04960	2.8
83.08607	19.6
84.07997	1.2
85.06536	5.9
85.10181	1.1
89.80805	1.6
91.05470	22.1
93.07030	36.1
94.07346	1.7
95.04958	5.9
95.08592	47.1
96.08945	2.1
97.06527	2.7
97.10162	15.8
99.08064	2.8
105.07011	21.0
107.08578	26.2
109.06516	2.3
109.10139	66.3
110.10466	2.0
111.08039	3.3
111.11725	1.8
113.06074	1.4
113.09659	1.4
117.06988	8.2
119.08560	22.4
121.10133	20.5
123.08019	1.9
123.11688	8.6
125.09606	11.2
129.06975	1.8
131.08548	16.2
133.10101	16.8
135.08034	3.3
135.11687	13.6
137.09630	3.8
137.13252	2.8
139.11148	2.2
143.08546	3.6
145.10124	14.9
147.11653	11.6
149.09625	1.5
149.13232	9.5
151.11218	1.9
153.09074	2.0
155.08537	2.2
155.10609	3.3
157.10098	4.4
159.11671	11.8
161.13255	7.1
163.14821	4.4
169.10040	1.9
171.11703	2.9
171.79549	1.4
173.11719	16.7
173.13234	7.8
175.14803	3.3
177.12726	1.7
185.13235	3.2
187.14816	4.2
188.25391	1.6
189.11185	8.0
193.12234	2.2
194.12518	2.1
195.00301	3.3
197.13205	2.2
199.14796	3.5
213.16452	1.4
215.17860	2.0
227.12741	13.4
229.14322	40.0
231.15958	2.5
239.17989	1.4
241.19501	2.0
243.21063	4.1
259.20544	4.6
261.22107	20.6
263.23743	1.8
275.20090	1.4
279.23206	1.3
303.22772	1.5
317.24780	3.3
333.24417	2.8
335.25702	26.2
357.27975	1.8
379.29904	5.2
397.31113	7.1
403.28207	1.8
415.32095	7.6
433.33063	7.9
449.32504	2.7
471.34753	8.1
489.35715	64.7
490.35840	3.3
507.36465	41.7
508.37262	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	507.3677
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
53.03935	1.8
55.01841	1.6
55.05494	7.9
57.07073	1.5
58.06574	2.7
59.05000	2.6
67.05494	13.6
69.03421	4.6
69.07056	16.0
70.06576	2.3
71.04982	4.6
72.08144	4.1
79.05469	9.5
79.73500	1.4
81.07046	31.8
83.04965	8.2
83.08606	5.8
85.02896	4.4
85.06547	3.7
86.09696	5.5
91.05468	12.5
93.07031	28.5
93.07627	1.2
95.04955	5.7
95.08591	40.7
97.06522	8.1
97.10152	3.2
99.08061	3.1
100.11236	22.7
101.11565	6.3
105.07013	17.1
107.08575	34.7
109.06515	4.0
109.10139	28.7
111.08033	8.3
111.11706	1.3
114.12791	35.4
117.03483	1.2
117.07005	2.9
119.08561	27.0
120.08082	4.5
120.08853	1.7
121.10123	31.9
121.10954	2.3
123.08047	79.7
123.11666	15.5
125.09637	2.8
127.03888	1.5
129.06950	2.1
131.04948	1.6
131.08565	8.1
133.06418	1.4
133.10106	24.8
135.08029	4.3
135.11676	28.2
137.06001	3.6
137.09589	14.1
137.13226	6.6
139.11172	3.8
139.48485	1.1
143.08519	4.2
145.02829	2.1
145.10075	14.6
147.08092	2.5
147.11655	15.0
149.09624	3.2
149.13200	12.7
151.11157	3.1
153.09067	1.4
153.12694	2.1
157.06393	1.4
157.10124	7.3
158.10980	1.7
159.11676	13.3
161.05951	1.5
161.09624	2.6
161.13231	13.2
163.03882	1.6
163.07523	1.6
163.11201	2.5
163.14803	9.5
165.05498	1.6
165.09085	1.5
165.12740	2.0
167.14244	1.7
169.10168	1.8
171.11682	6.8
173.05984	1.8
173.13239	9.5
175.11194	2.7
175.14801	7.6
177.05461	5.1
177.12798	1.4
177.16362	5.5
179.10635	1.8
179.14352	1.9
183.11694	2.1
185.13249	5.4
187.11201	1.7
187.14810	10.8
188.21393	1.4
189.12691	2.4
189.16312	8.2
191.10742	3.3
191.17923	7.2
193.12320	2.2
197.13249	2.3
199.14799	4.5
201.16371	5.3
203.14328	1.7
203.17812	6.7
205.19478	1.6
207.17511	2.9
211.14772	2.3
213.12717	1.9
213.16371	3.3
215.14238	1.5
215.17926	3.6
217.15761	2.1
217.19446	1.9
225.16351	1.5
227.14171	1.3
231.13771	1.7
233.15297	1.6
239.18022	1.8
241.19508	1.7
253.19351	3.1
255.17195	1.6
255.21233	2.1
267.21109	1.7
273.18457	1.7
275.20099	1.5
291.26788	9.9
295.42142	1.4
301.21417	1.7
302.35715	1.3
309.28076	1.8
313.21753	3.3
315.22998	1.5
327.23264	1.3
331.26236	4.1
355.26025	2.4
366.17871	1.8
369.27890	2.5
373.27356	35.4
381.27927	2.0
383.29349	17.7
384.29333	1.5
394.17538	3.1
399.28796	5.6
401.30450	8.5
417.29901	39.3
418.29984	1.8
425.34036	1.5
431.31522	7.2
435.32260	3.2
441.34140	2.1
443.35034	2.0
453.33630	7.1
471.34628	100.0
472.34988	4.0
489.35699	26.2
507.36017	8.9
508.33926	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	507.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01849	3.2
55.05501	23.9
57.03428	8.0
57.07064	14.1
57.46720	0.8
59.04975	2.8
61.76674	0.7
61.83265	0.8
65.03914	3.4
67.05495	100.0
68.05804	1.2
69.03400	1.7
69.07060	17.3
70.90877	1.1
70.91232	2.4
71.04997	4.6
71.08289	0.9
71.08624	9.7
79.05479	31.6
81.03389	3.2
81.07042	66.2
82.07375	0.8
83.04945	2.9
83.08604	17.6
85.06528	5.2
85.10177	4.9
91.04909	1.4
91.05463	22.3
93.07027	36.4
95.04949	5.2
95.08591	45.3
97.06531	4.7
97.10156	11.0
99.08058	2.0
103.05434	0.9
103.65586	0.7
105.07009	16.3
107.08578	25.4
109.06488	1.3
109.10139	58.0
110.10475	1.0
111.08055	2.9
111.11706	1.4
113.09597	1.7
115.05353	1.0
117.07001	7.7
119.07842	1.2
119.08575	16.2
121.10117	16.9
123.08058	1.6
123.11681	8.6
125.09608	8.0
129.06944	2.1
131.08546	12.6
133.10088	11.8
135.08058	1.9
135.11679	13.2
137.09581	3.6
137.13226	2.8
138.39709	1.0
139.11140	2.1
142.07724	0.9
143.08519	1.8
145.10098	10.1
147.07968	1.0
147.11671	7.2
149.09598	1.0
149.13226	11.6
151.11127	1.2
153.09033	1.3
155.08467	1.2
155.10629	2.9
157.10103	2.4
159.11685	10.6
161.13239	4.0
163.14774	3.9
169.10153	1.0
171.11642	2.2
173.11691	14.1
173.13232	8.0
175.11111	1.2
175.14789	2.1
177.12723	2.1
177.16385	1.4
179.03639	0.9
183.11699	0.8
185.13203	1.2
187.14771	3.2
189.11211	4.7
189.16411	1.0
193.12238	1.4
195.13773	3.2
197.13190	1.2
199.14746	1.7
201.16360	1.5
203.21053	0.8
213.16411	1.2
215.17950	1.0
227.12724	10.2
229.14313	40.1
230.14703	1.0
231.15942	2.3
239.23615	3.0
241.19678	1.2
243.21033	3.8
259.20538	2.2
261.22119	21.2
263.23563	1.5
279.23236	1.3
289.21664	0.8
317.24667	5.2
335.25784	25.6
336.26071	1.1
363.58472	0.8
379.29904	2.5
397.30975	5.5
415.31989	6.1
433.33197	5.9
449.32120	1.3
467.08234	0.9
471.34702	5.9
489.35690	46.3
490.35867	2.6
507.40036	30.4
508.36789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01857	1.5
55.05502	25.6
57.03423	6.7
57.07067	18.0
59.04976	1.7
61.59924	1.0
64.18839	0.8
65.03909	4.0
66.82262	0.8
67.05493	100.0
68.05814	1.0
69.03417	2.0
69.07056	19.4
71.04967	3.8
71.08623	12.2
73.06544	1.1
79.05482	30.4
81.03397	4.1
81.07043	69.9
83.04970	3.2
83.08612	20.1
85.06528	4.8
85.10168	5.9
91.05467	22.7
93.07030	38.4
93.07466	0.7
95.04927	4.7
95.08595	46.2
96.08915	1.1
97.06529	4.7
97.10155	15.4
99.08080	2.2
105.04530	1.1
105.07015	15.9
107.08571	25.3
109.06483	2.6
109.10139	59.3
111.08092	5.8
117.06984	7.1
119.08557	16.9
121.10120	15.3
123.08041	1.9
123.11694	8.7
125.09611	9.6
129.06998	2.2
131.08534	12.0
133.10110	15.7
135.08041	2.3
135.11667	14.0
137.09558	2.0
137.13251	2.3
143.08530	2.2
145.10104	9.9
147.11670	10.7
149.13239	13.0
151.14772	1.0
153.09050	1.0
155.08563	1.0
155.10655	2.3
157.10072	2.6
159.11681	9.8
161.13234	5.5
163.14790	3.7
169.10054	1.4
171.11630	3.3
173.11707	13.5
173.13232	6.0
175.14767	1.9
177.12727	1.9
183.11740	1.4
185.13181	1.5
187.14775	3.6
189.11230	5.8
195.13759	2.9
195.71608	0.9
199.14761	1.7
205.15778	1.0
227.12733	7.7
227.17999	1.0
229.14307	38.3
231.15884	2.3
239.17824	1.1
239.23666	2.8
243.21033	3.6
259.20599	2.5
261.22116	19.9
262.22379	1.4
263.23697	0.9
285.22098	1.2
290.82855	0.9
315.23077	1.4
317.24631	3.9
335.25790	26.7
379.29855	3.6
397.30954	6.8
415.32126	5.3
433.32965	5.4
436.87634	1.0
471.34479	5.4
489.28497	2.0
489.35703	46.8
507.39948	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	507.3675
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03929	2.2
55.01852	3.1
55.05503	27.0
57.03429	8.8
57.07058	6.0
59.04985	2.8
65.03917	3.4
67.05494	100.0
69.07056	18.8
70.87811	1.2
71.04991	3.3
71.08610	3.0
79.05483	32.1
81.03416	3.5
81.07042	62.9
82.07362	1.9
83.04953	3.2
83.08612	17.7
85.06534	2.3
91.05460	25.7
93.07028	34.7
95.04952	6.1
95.08588	49.7
97.06496	3.7
97.10152	16.5
99.08033	2.1
105.07016	19.1
107.04952	1.4
107.07899	2.0
107.08584	26.0
109.06488	3.3
109.10140	68.2
111.08054	4.0
113.69251	1.5
117.07011	6.5
119.08570	22.2
121.06458	1.9
121.10130	20.6
123.08087	2.1
123.11716	6.9
125.09621	10.6
129.06950	2.9
131.08542	13.0
131.21844	1.2
133.10118	15.7
135.08037	3.0
135.11665	12.1
137.09572	2.2
137.13277	3.2
139.11153	3.1
143.08504	3.1
145.10103	13.6
147.11664	11.4
149.09598	1.3
149.13205	9.2
155.10609	2.2
157.10121	5.4
159.11671	14.0
161.13179	6.6
163.14786	4.1
171.10281	1.4
171.11617	3.2
173.11708	14.7
173.13251	8.5
175.14828	3.7
177.12784	2.5
184.06508	1.3
185.13237	3.2
187.14761	3.7
189.11185	6.5
193.12305	2.0
194.12651	1.4
197.13290	2.8
199.14795	3.1
213.16597	1.4
227.12718	11.7
229.14319	42.0
229.95271	1.3
231.15802	2.6
240.24055	1.6
241.19539	2.1
243.21046	4.9
261.22073	21.4
263.23688	1.9
317.24704	3.9
333.24057	2.0
335.25781	25.0
379.29651	2.5
397.30878	10.2
415.32095	8.5
433.33069	6.3
449.32288	2.2
471.34549	8.9
489.35742	67.3
490.35971	2.1
507.36505	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.05504	23.3
57.07055	11.7
57.84079	3.1
59.05009	16.4
59.95300	2.8
61.82401	2.9
67.05499	20.4
69.03413	4.0
69.07056	66.8
70.06715	17.2
71.04958	9.7
74.64320	3.8
79.05482	16.1
81.06596	6.1
81.07047	81.4
83.04975	4.7
83.08238	3.3
83.08612	38.7
85.02867	4.6
85.06503	7.7
88.55244	3.2
89.06002	8.1
91.05464	10.9
93.06493	3.7
93.07035	34.6
95.04972	5.2
95.08597	100.0
97.06521	7.2
97.10165	15.6
97.87417	3.0
99.08063	6.1
105.07032	18.6
105.07610	3.1
107.07999	3.6
107.08579	37.2
109.06472	4.0
109.10135	57.9
109.48106	3.9
111.08063	11.8
111.11716	21.7
119.08545	15.7
121.10133	31.8
123.08075	7.0
123.11691	49.8
123.76438	3.3
125.09589	6.9
125.13230	11.2
130.53693	2.8
131.08534	6.9
132.17162	3.2
133.10112	16.6
135.11661	29.1
137.05920	5.5
137.09654	5.4
137.13225	33.1
137.63660	3.0
139.11205	3.1
143.08484	3.3
143.42477	3.0
145.10103	8.8
147.11662	14.2
149.13252	33.4
151.14771	9.8
157.10089	5.0
159.11690	11.6
161.09564	4.5
161.13216	12.6
163.14867	20.1
165.16394	9.1
166.16798	3.5
172.24449	3.4
173.13242	6.2
175.14775	8.2
177.16339	11.1
179.91960	3.7
182.15373	4.2
185.13243	5.2
187.14752	3.7
189.16409	5.6
191.17894	8.2
199.14659	3.4
203.17949	5.1
217.19408	4.4
221.22565	4.2
251.23851	7.7
261.25748	27.6
273.25656	18.8
279.26819	50.3
291.26791	74.9
309.27875	47.0
435.31918	4.5
441.33603	4.2
471.34671	10.3
479.18979	3.5
489.35745	58.9
507.38739	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	506.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01861	2.8
55.05517	1.0
57.03417	4.5
60.70119	0.7
61.02922	8.1
67.05489	1.6
69.03422	16.9
69.07066	0.9
70.06582	2.1
71.04974	2.8
71.40972	1.8
72.08136	1.2
73.02892	3.3
79.05486	2.1
80.05029	1.2
81.03402	8.7
81.07039	2.0
83.01334	1.2
83.04951	1.6
85.02897	100.0
86.09718	3.3
87.04455	2.2
91.03946	5.6
91.05486	2.5
93.07069	1.6
95.01318	0.7
95.04987	1.2
95.08608	1.0
97.02882	26.1
98.06036	0.8
99.04440	5.2
100.11249	2.1
101.02398	0.8
102.37378	0.7
103.03898	1.0
103.05474	1.1
105.07018	11.0
107.04945	0.6
107.08553	1.1
108.04504	1.3
109.02874	10.8
109.06507	2.6
109.10163	1.9
114.09164	6.3
114.12805	1.6
115.03899	1.2
116.07102	0.8
119.08580	1.4
120.08123	1.1
121.10164	1.6
123.08094	1.1
124.05202	14.1
127.03908	25.1
127.04852	1.3
130.08612	1.4
131.04895	0.9
131.08568	1.3
133.06483	9.0
133.10136	2.9
135.08044	1.7
136.03929	32.2
137.05954	18.2
138.06378	0.9
144.06561	1.5
145.04944	50.6
147.04355	0.9
149.09570	1.3
149.13225	0.9
151.11177	1.1
154.04970	11.5
163.03986	0.8
163.05995	13.8
163.07324	1.3
165.09102	47.8
173.13223	1.2
175.03955	2.1
177.05482	1.1
180.08588	0.7
188.07066	0.8
191.14314	2.3
207.06558	2.9
262.09558	0.8
264.99661	0.8
271.08234	0.8
280.08179	1.9
289.09293	1.0
294.12164	1.5
298.09088	6.9
312.22650	0.7
314.14807	0.8
316.10410	1.3
326.11374	0.7
326.14609	4.3
337.11783	1.1
340.10251	1.7
354.58301	0.7
406.13870	0.7
506.24142	1.2
506.29834	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	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01865	1.4
55.05502	8.9
57.03422	1.8
57.07067	33.1
65.03949	1.0
67.05495	22.1
69.03409	1.5
69.07060	8.6
69.79786	0.7
69.80188	2.5
71.04988	1.3
71.08620	23.1
79.05480	11.3
81.03405	68.3
81.07044	23.1
81.07536	0.9
82.03747	0.8
83.04976	2.4
83.08607	22.1
85.02909	0.5
85.06525	1.3
85.10168	11.6
85.10674	0.7
86.09698	0.7
91.05464	16.1
93.07027	7.6
93.07568	0.6
94.07335	0.4
95.04952	17.2
95.08591	23.3
97.02870	1.9
97.06538	0.7
97.10159	5.7
97.56535	0.4
99.08085	0.9
99.11719	0.6
105.04504	0.5
105.07015	12.2
105.07713	0.8
107.04301	0.6
107.04950	4.3
107.08601	3.9
109.02863	0.4
109.06506	1.7
109.10139	12.1
111.04449	1.5
111.08074	5.3
111.11727	1.3
113.13224	0.4
115.05427	1.1
117.07001	1.4
119.04937	1.0
119.08556	9.1
120.08881	0.4
121.06506	1.5
121.10130	4.0
123.04398	1.2
123.08047	1.3
123.11686	4.6
125.13292	0.7
128.06210	1.1
129.06993	7.1
131.08556	6.4
133.06485	2.3
133.10139	3.0
135.11620	1.0
137.05899	0.5
137.09590	0.8
137.13210	2.2
139.14844	0.4
142.07729	1.9
143.08588	0.5
145.10152	0.9
147.07994	2.0
147.11652	4.5
149.09628	3.2
151.11159	0.5
151.14851	0.7
157.10100	5.8
165.12761	1.2
165.16440	0.7
175.11147	5.9
179.14282	2.2
193.12210	42.1
194.12669	0.6
221.22713	1.2
223.13062	0.4
231.13847	0.7
239.23656	7.5
249.14835	6.3
259.20575	0.6
277.21561	2.1
431.35345	0.5
505.38882	100.0
506.39471	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	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
53.61740	0.3
55.01854	1.2
55.05500	8.8
57.03418	1.2
57.07065	30.7
59.05001	0.4
65.03919	1.0
67.05495	21.4
69.03415	1.6
69.07050	7.8
71.04971	1.7
71.08619	22.1
71.79747	0.8
77.03902	0.5
78.06690	0.4
78.38174	0.3
79.05477	10.0
79.05918	0.7
81.03404	65.3
81.07039	21.5
81.07534	0.6
82.03711	0.6
82.07377	0.5
83.04959	2.5
83.08604	21.4
85.06527	0.7
85.10167	11.8
91.05464	13.7
93.07030	7.2
95.04951	17.3
95.08588	22.8
97.02860	2.1
97.06509	1.2
97.10154	5.7
99.08078	0.9
99.11715	0.6
103.05443	0.6
105.07013	10.1
107.04942	4.0
107.08579	2.8
109.06490	1.7
109.10139	12.1
111.04432	0.8
111.08070	5.7
111.11710	1.2
115.05452	1.3
116.06262	0.4
117.07001	1.3
119.04877	0.9
119.08562	9.0
121.06487	2.1
121.10141	3.5
123.04403	1.0
123.08049	1.6
123.11671	4.7
125.09619	0.8
125.13277	0.9
128.06189	0.5
129.06984	7.5
131.08522	7.1
133.06462	2.5
133.10103	3.0
135.11667	1.0
137.09630	1.1
137.13208	2.3
142.07744	2.2
145.10103	1.3
147.08040	2.5
147.11644	4.3
149.09607	3.3
149.13264	0.6
151.11127	0.6
151.14740	0.7
157.10103	6.2
159.11546	0.6
161.13254	0.5
163.11101	0.5
163.14880	0.4
163.31004	0.4
165.12788	0.9
165.16440	0.7
171.11668	0.6
173.11708	0.7
175.11166	6.3
179.14252	1.1
185.13196	0.5
193.12212	45.2
194.12463	0.8
195.11748	0.4
205.12326	0.6
221.22701	0.9
228.75049	0.3
231.13763	0.6
239.23648	7.7
249.14868	7.1
277.21655	1.3
505.38855	100.0
506.39438	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	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01856	1.2
55.05504	11.0
57.03413	0.8
57.07066	29.9
65.03882	0.6
67.05495	25.6
69.03410	1.1
69.07058	11.0
70.30608	3.3
71.04972	1.1
71.08619	17.5
79.05486	12.0
81.03407	58.4
81.07043	27.8
83.04964	2.3
83.08610	21.2
85.06534	1.1
85.10171	9.4
88.39065	0.6
90.57537	0.6
91.05467	12.7
93.07029	10.0
95.04955	15.8
95.08592	21.1
97.02878	1.6
97.06509	1.1
97.10158	5.7
98.21383	0.8
105.07022	9.1
106.07399	0.7
107.04922	4.2
107.08595	4.8
109.06500	2.6
109.10146	10.4
111.04385	1.0
111.08092	5.1
111.11729	2.0
115.05466	1.0
117.07008	1.7
119.04949	0.9
119.08561	8.1
121.06478	1.7
121.10136	4.3
123.11697	5.0
125.09604	1.0
125.13287	0.9
129.06990	5.5
131.08553	5.1
133.06465	2.4
133.10153	3.6
135.11714	1.0
137.09576	0.8
137.13269	1.7
142.07755	1.8
145.10138	1.2
147.08037	1.5
147.11650	4.0
149.09605	2.8
149.13211	1.4
157.10155	5.1
159.11684	0.8
161.13304	0.9
165.12669	0.6
175.11102	5.9
175.42781	0.6
193.12216	26.9
195.13855	0.9
231.13930	1.0
239.23648	6.0
249.14830	5.0
265.21683	0.7
291.86890	0.7
312.30322	0.6
343.29898	0.6
505.32104	3.4
505.38815	100.0
506.38989	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	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57041	0.5
53.00283	0.5
53.03930	3.6
55.01858	1.4
55.05500	8.1
57.03419	1.6
57.07065	30.0
65.03935	0.7
67.05494	20.0
69.03404	1.2
69.07056	9.2
71.01353	0.5
71.04968	1.5
71.08618	21.9
71.51311	1.0
79.05067	0.8
79.05485	10.1
81.03403	67.2
81.07040	22.6
82.03741	1.0
83.04964	2.4
83.08607	19.7
85.06536	0.9
85.10166	12.5
91.05463	13.7
93.07027	7.2
95.04950	16.2
95.08587	23.3
97.02877	1.2
97.06475	1.1
97.10150	6.5
99.11723	0.7
103.05514	0.5
105.07014	8.4
107.04935	4.0
107.08562	2.9
109.06494	2.3
109.10131	9.9
109.10839	0.6
111.04433	0.7
111.08062	5.6
111.11700	1.5
113.13319	0.5
115.05436	1.2
117.07030	1.4
119.04955	0.7
119.08563	8.4
121.06476	1.3
121.10138	3.8
123.04436	0.9
123.08086	0.6
123.11694	4.4
125.13248	0.6
127.14708	0.6
128.06224	0.7
129.06976	7.2
131.08546	5.8
133.06503	2.4
133.07349	0.6
133.10121	3.1
135.11642	0.9
137.09583	1.0
137.13274	1.9
142.07761	2.2
145.10086	0.7
147.08032	2.1
147.11690	4.4
149.09572	3.7
149.13280	0.7
155.30841	0.6
157.10106	5.8
159.11653	0.6
165.12776	0.9
165.16415	0.9
175.11176	7.3
175.12582	0.7
193.12210	33.8
194.12637	1.0
213.12772	0.6
221.22707	0.8
231.13692	0.6
239.23651	6.9
249.14850	6.1
345.33514	0.5
445.20306	2.1
446.20407	1.1
505.22903	6.2
505.38794	100.0
506.22736	0.8
506.39124	6.2
515.09863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3523
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03938	2.9
55.05503	16.1
55.73949	1.6
56.12390	1.6
57.03431	9.2
57.07058	7.0
59.04987	2.5
65.03940	3.7
67.05496	100.0
69.07053	13.3
70.06599	2.1
70.07637	8.6
71.04980	4.1
71.08621	2.2
79.05477	27.8
81.07048	41.2
83.04964	3.6
83.08617	15.5
84.34550	1.6
85.06508	2.8
91.05466	40.5
92.05804	2.1
93.07036	40.4
95.04961	6.4
95.08588	33.9
96.08942	1.9
97.06483	3.8
97.10181	4.1
98.21326	3.0
99.08114	3.5
105.07018	44.4
107.04948	1.9
107.08580	36.2
108.08908	2.8
108.61855	1.5
109.06490	3.6
109.10146	83.5
110.10429	3.6
111.08051	5.9
117.07034	10.0
119.08571	48.3
120.08915	2.7
121.06463	2.6
121.10130	32.0
122.10441	2.1
123.08051	5.0
123.11707	12.5
125.09626	4.4
128.06267	1.6
129.07011	5.8
131.08530	17.5
133.10117	35.8
134.10406	2.1
135.08029	4.0
135.11665	32.6
137.09608	5.3
139.11159	2.1
143.08580	7.9
145.10106	18.6
147.08018	1.9
147.11670	32.2
149.09576	3.5
149.13242	10.9
151.11166	3.1
153.09122	2.0
155.10645	2.6
157.10136	9.6
159.11688	16.4
161.09612	2.3
161.13260	24.4
162.13573	2.3
163.11182	3.3
163.14772	11.4
169.10135	2.5
171.11641	10.4
173.11711	17.2
173.13269	11.5
175.14801	19.4
177.12695	2.9
177.16328	2.5
179.14299	2.7
184.07343	2.5
185.13173	9.9
186.13838	1.6
187.14799	8.2
188.15140	2.5
189.11215	2.9
189.12730	3.5
189.16335	9.9
191.14340	4.3
193.12242	1.9
193.15959	2.2
199.14832	8.3
201.16353	6.8
202.16666	2.7
203.14273	3.3
203.17926	5.1
205.15930	2.4
209.15605	1.6
211.14793	2.5
213.16338	5.6
214.17154	4.5
215.17984	7.1
217.15898	1.9
227.12709	6.4
229.14313	46.3
229.16423	3.3
229.19533	2.3
231.17470	3.8
231.21080	4.0
241.19469	22.6
241.76541	1.8
243.21106	2.0
259.20554	46.4
261.22122	3.5
277.21603	3.8
315.23248	2.6
333.24219	29.6
393.31509	3.4
405.31473	3.0
406.31918	2.8
411.32578	3.5
413.30060	1.7
423.32520	22.5
424.32874	4.7
430.70706	2.2
441.33676	9.4
442.34048	3.6
451.31836	5.1
452.32394	3.0
469.33099	10.9
470.33307	5.3
487.34494	15.2
505.35175	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24691	0.8
53.03937	2.2
55.01862	1.5
55.05500	13.9
57.03431	8.2
57.04491	0.6
57.07049	2.9
57.07303	0.7
59.04994	4.3
61.56382	0.7
65.03931	2.8
67.05495	100.0
69.03408	1.1
69.07051	8.7
71.04969	3.6
71.08607	1.0
71.79611	0.8
71.79996	1.3
74.60413	0.7
78.16787	0.8
79.05479	23.2
81.03399	1.3
81.07044	32.8
83.04958	1.5
83.08598	9.3
85.06534	4.7
91.05466	33.7
93.07029	30.4
95.04954	5.1
95.08593	20.5
97.06503	2.0
97.10146	2.9
98.56261	0.8
99.08062	2.3
103.05421	1.3
105.07014	29.5
107.04959	0.8
107.07906	1.2
107.08579	18.0
109.06509	2.2
109.10140	76.9
111.08038	4.2
117.06991	7.2
119.08563	35.8
119.24210	0.8
121.06497	1.1
121.10113	13.2
123.08041	1.3
123.11694	2.7
125.09574	3.2
128.06201	1.4
129.05505	0.8
129.06981	7.0
131.08540	13.1
133.09154	1.5
133.10109	23.7
135.08029	1.3
135.11684	10.0
137.09598	4.3
141.06952	1.0
142.07729	1.0
143.08543	6.9
145.10080	12.1
147.11661	23.0
149.09651	1.2
149.13220	8.5
151.11156	1.6
155.10602	3.5
156.09337	0.9
157.10066	5.8
159.11676	10.6
161.13246	19.8
163.11067	1.2
163.14761	2.5
165.12798	0.8
168.72136	0.8
169.10155	1.6
169.89922	0.8
171.11678	9.2
173.11700	22.8
173.13228	7.3
175.14789	7.9
177.12778	0.9
183.11679	0.8
185.13249	6.1
187.14848	4.7
189.11191	2.0
189.12717	1.3
189.16301	0.9
193.12195	1.2
197.13190	1.3
199.14818	3.6
201.16397	1.1
203.14209	1.1
213.16348	2.2
215.17833	1.3
217.15697	1.1
217.19479	1.0
227.12720	7.0
229.14314	62.1
230.14796	0.9
231.21031	4.9
241.19461	23.0
257.18814	1.0
259.20532	52.7
261.22086	3.2
275.20020	0.8
277.21381	1.4
315.23038	4.7
333.24164	29.8
351.25226	1.1
395.29358	1.6
413.30228	3.1
469.33099	1.1
470.33289	1.3
487.34177	14.6
505.35147	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	505.3523
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.13095	3.9
53.70215	4.5
55.05492	24.4
57.07071	8.2
65.03935	6.4
67.05492	49.4
69.07041	20.1
70.22134	4.2
71.05004	5.1
71.78845	6.2
79.05478	31.7
81.03380	5.1
81.07043	85.0
82.07355	5.0
83.04971	9.8
83.08585	12.2
85.02880	6.5
85.06528	10.7
91.05479	27.5
93.07028	61.5
95.04955	15.4
95.08587	73.0
96.08923	4.6
97.02888	6.2
97.06525	10.4
97.10146	10.6
105.07018	49.7
107.08579	68.0
108.08956	6.6
109.06502	13.8
109.10138	57.9
111.08054	6.9
111.13129	4.2
113.05965	7.3
117.06998	12.3
119.08558	74.5
121.10132	83.9
123.08050	14.9
123.11682	30.2
125.09599	10.5
129.07016	6.8
131.08574	27.3
133.10094	64.7
134.10417	6.7
135.04337	4.3
135.08054	6.1
135.11673	100.0
137.05974	6.3
137.09616	12.3
137.13237	7.4
139.11147	6.0
143.08559	15.1
145.10094	44.5
146.10443	5.8
147.08028	9.5
147.11679	49.7
149.09618	7.9
149.13229	19.5
151.03873	5.6
153.09070	8.0
154.68138	3.8
155.08513	6.7
157.10100	19.0
159.11699	32.8
161.09584	8.9
161.13213	29.9
163.03912	22.0
163.14812	35.2
169.10117	5.9
171.11642	15.5
173.09572	5.0
173.13208	30.6
175.11118	7.7
175.14799	44.6
177.16385	19.2
179.10628	7.0
183.11668	7.0
185.13202	15.1
187.14784	42.0
188.15289	4.5
189.16357	33.3
191.14285	17.6
191.17946	8.2
193.12077	5.5
195.11560	4.6
197.13173	6.0
199.14767	20.6
201.16331	25.6
203.14229	6.8
203.17949	22.7
205.12280	6.1
207.17593	6.4
211.14769	7.6
213.16284	13.9
214.16866	7.2
215.17963	21.8
225.16275	6.3
231.17487	9.9
233.15509	6.3
233.18874	5.2
237.14618	5.6
247.16945	6.4
256.70206	4.6
281.17477	6.2
333.24191	4.4
360.27393	4.9
365.28146	5.7
373.27325	5.2
374.17795	4.9
378.28552	7.1
383.29547	7.4
393.31497	17.6
397.34451	5.6
405.31537	30.3
406.28140	6.1
417.49805	4.5
423.27411	7.3
423.32578	77.1
424.29083	38.1
432.19284	5.6
441.33978	34.5
442.30292	100.0
451.31799	20.0
469.33267	33.2
487.34933	27.8
505.34674	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	505.3516
Annotation	Sublateriol A
Peak:m/z	Relative Intensity
53.03926	1.6
55.01860	1.1
55.05502	2.7
57.07055	1.5
59.04972	0.6
65.03912	0.9
67.01842	1.1
67.05492	7.0
69.03398	1.9
69.07062	3.6
71.04973	4.7
79.05476	5.9
81.03384	1.1
81.07043	11.7
83.04971	5.1
83.08595	1.6
85.02879	2.6
85.06524	1.2
91.05442	6.2
93.07030	14.5
95.04935	3.2
95.07987	1.1
95.08588	16.4
97.02873	0.8
97.06522	1.7
97.10147	1.1
98.20638	1.3
99.08070	0.7
103.05440	2.8
105.07011	16.1
107.04971	1.3
107.08578	13.1
109.02898	0.7
109.06495	2.6
109.10141	11.1
111.04410	0.6
111.08053	1.8
113.05984	1.0
113.09617	3.1
117.06280	0.6
117.06979	3.6
119.08561	15.1
121.06481	2.2
121.10126	11.4
122.07265	1.0
123.08038	6.3
123.11687	2.5
125.05952	0.8
125.09572	3.1
127.03903	1.3
129.06963	1.5
131.04924	4.6
131.08528	7.3
133.06345	0.6
133.10109	13.1
135.04424	0.5
135.08032	1.4
135.11655	5.8
137.05968	1.5
137.09592	100.0
138.09904	0.9
139.11153	0.9
141.05354	0.6
141.06984	1.0
141.09074	5.1
142.07706	0.7
143.08536	3.9
144.09372	0.5
145.02748	0.6
145.06453	0.7
145.10127	8.9
147.08029	1.6
147.11653	7.5
149.05911	1.1
149.09612	1.2
149.13239	3.7
151.03889	2.8
151.11165	1.9
153.01794	14.4
153.09094	0.8
155.08521	2.0
156.09299	0.7
157.10092	5.7
158.10834	0.6
159.08061	0.8
159.10298	0.9
159.11667	9.4
161.09636	1.2
161.13252	6.1
163.03862	0.7
163.07594	0.9
163.11163	1.9
163.14766	1.7
165.05534	0.7
165.09094	1.0
165.12708	0.6
167.08626	0.6
169.10136	2.4
170.10814	0.7
171.02853	5.5
171.11662	4.4
173.09633	1.3
173.13219	5.9
175.11209	1.4
175.14824	3.7
177.05408	0.9
177.09100	0.6
177.12730	1.9
177.16377	1.5
179.10735	1.0
179.14331	0.6
181.10095	0.7
183.11655	2.9
185.13210	5.0
187.11179	1.1
187.14827	3.8
189.12782	1.7
189.16344	2.1
191.14307	0.8
195.11755	1.3
197.13235	2.7
199.11160	0.9
199.14868	2.7
201.12698	1.0
201.16380	3.0
203.14294	1.2
203.17935	1.7
205.15860	0.9
206.10982	0.7
207.11676	0.7
209.13246	1.9
211.14876	2.2
213.16368	2.1
215.14330	1.0
215.17899	0.8
219.13759	1.0
221.13290	1.0
223.14771	1.1
225.16316	1.2
227.14197	0.7
227.17953	0.8
231.13762	0.9
237.12691	0.6
237.16516	1.5
239.17876	1.1
241.15819	0.8
241.19368	1.3
245.15387	0.9
247.13197	0.8
251.17853	1.3
253.15828	0.8
253.19495	1.5
255.17612	1.0
255.21053	0.8
257.08060	22.8
257.19061	0.6
258.08490	1.6
265.19415	0.7
269.19025	1.3
271.16925	1.2
271.20462	0.7
283.20532	0.7
297.18521	1.1
297.21790	0.7
306.39606	0.6
311.20132	0.7
311.23550	1.0
313.21811	0.9
315.19568	5.8
325.21545	1.1
327.23227	0.9
337.21555	1.3
343.22519	2.4
355.22614	7.4
355.26526	0.6
363.26794	0.6
373.23645	1.5
381.27841	2.0
393.27792	1.1
399.28949	0.7
403.28162	0.6
409.30936	1.3
411.28983	1.6
415.28439	2.3
421.30942	0.8
427.31754	0.9
433.30872	2.3
439.32205	0.9
451.31921	4.2
469.33047	12.8
469.39401	1.1
487.34140	68.2
488.34341	3.0
505.35214	18.7
506.35895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3515
Annotation	Sublateriol A
Peak:m/z	Relative Intensity
53.03922	1.9
55.01854	1.3
55.05503	7.1
57.03435	1.6
57.07061	1.2
59.04974	4.0
65.15746	1.1
67.05496	11.0
69.03405	4.4
69.07055	8.3
70.06536	1.0
71.04976	8.6
74.57674	1.3
79.05489	11.0
80.63839	1.2
81.03404	1.4
81.07040	21.6
83.04966	39.0
83.08598	3.4
85.02884	2.9
85.06516	3.4
91.05460	12.4
93.06484	2.2
93.07025	24.9
95.04948	6.9
95.08591	28.8
95.41022	1.1
97.06493	4.9
97.10148	1.8
100.11214	1.6
105.07008	23.3
105.69086	1.2
107.04967	2.0
107.08577	24.9
109.06497	7.3
109.10131	19.8
111.08051	3.9
113.06011	2.6
113.09603	4.3
117.06980	5.6
118.46774	1.1
119.08562	26.5
120.08077	2.4
121.06471	3.7
121.10138	20.0
122.07249	1.9
123.08055	19.3
123.11698	5.0
125.09594	4.2
127.03871	1.5
129.06979	3.3
131.08546	13.5
133.09149	1.8
133.10109	25.2
135.08046	4.5
135.11685	11.8
137.06055	2.3
137.09593	100.0
138.06229	1.4
141.05365	1.0
141.06894	1.7
141.09048	5.9
142.07742	1.5
143.08539	5.2
143.10622	1.3
145.06444	1.3
145.10106	19.3
147.04384	1.4
147.08058	2.4
147.11678	14.3
149.05939	1.4
149.09581	3.2
149.13248	6.6
151.03896	8.2
151.07497	1.5
151.11198	4.1
153.09052	1.3
155.08528	4.1
156.09277	2.0
157.10089	10.6
159.08040	2.4
159.10339	2.4
159.11655	18.3
161.09578	4.3
161.13254	11.5
163.03857	2.4
163.11157	4.0
163.14774	2.3
168.09422	1.4
169.10098	5.8
170.10927	1.7
171.11629	8.0
173.09622	2.0
173.13261	10.4
175.11201	2.7
175.14833	6.4
177.09100	2.1
177.12721	3.5
177.16461	1.4
179.10652	2.6
181.10081	2.8
183.11664	4.3
185.13223	7.3
187.14845	7.6
189.12720	2.3
189.16385	2.2
191.14348	1.7
193.12148	1.4
195.11674	4.2
195.14084	1.1
197.13214	5.3
199.11139	1.4
199.14810	4.7
201.12689	3.2
201.16330	8.0
203.14264	4.0
205.15915	2.0
207.11604	1.6
209.13301	2.8
211.14781	4.3
213.12775	1.8
213.16394	3.8
215.10506	1.3
215.14305	2.4
215.18028	1.6
217.12155	1.8
217.15955	1.7
221.13330	1.6
223.14851	2.0
225.12772	1.6
225.16426	2.4
229.15849	2.0
231.13765	1.2
235.14906	1.2
237.16351	1.9
239.18002	1.8
245.15308	1.5
247.13130	1.7
249.16451	2.6
251.17902	3.3
253.19498	3.2
255.17574	1.7
255.20923	1.5
259.16974	1.2
265.19415	1.4
269.18790	2.3
271.17117	1.7
271.20367	1.6
279.21036	1.5
291.21109	1.8
297.22183	2.1
299.20096	1.7
299.23523	1.5
309.22250	3.8
311.20212	1.5
315.19537	4.9
325.21500	1.7
327.23236	3.1
329.24744	1.8
341.24759	1.6
343.22476	2.3
345.24390	1.2
353.29059	1.3
355.22446	7.4
369.28055	1.5
381.27957	5.1
393.27783	3.4
399.28979	2.0
409.31094	2.1
411.28864	3.5
415.28482	2.6
417.30334	1.9
421.30695	1.6
433.30981	4.8
439.32172	4.0
451.32095	12.7
469.33069	19.7
487.26959	2.6
487.34134	50.1
505.35193	87.3
506.35715	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	505.3516
Annotation	weigelic acid
Peak:m/z	Relative Intensity
53.03914	1.1
55.05505	5.8
57.03433	1.3
57.07072	1.5
59.04977	2.3
61.02921	1.5
62.20033	1.1
65.03920	2.0
67.05498	10.1
69.03410	4.0
69.07038	4.5
70.06562	1.1
71.04987	6.4
73.08652	1.0
79.05477	8.4
80.23743	1.0
81.03416	2.1
81.07042	17.3
83.04972	25.4
83.08611	2.7
85.02891	9.5
85.06525	1.8
86.03242	1.2
91.05479	9.4
93.07028	24.1
95.04970	6.4
95.08590	23.2
97.02903	2.5
97.06501	4.8
97.10159	1.8
98.21431	4.4
103.05417	2.0
105.07015	19.3
107.04975	1.5
107.08571	21.3
109.06486	4.2
109.10130	16.9
111.08071	2.4
113.09628	3.4
117.06981	3.4
119.08549	21.3
121.06515	2.6
121.10126	18.4
123.08049	17.7
123.11686	8.2
125.09610	4.1
127.03889	1.9
129.07030	2.9
131.08534	10.9
133.06496	1.4
133.10115	15.8
135.08043	3.4
135.11667	9.0
137.06000	2.4
137.09593	82.9
141.09067	4.7
143.08524	6.3
145.04947	2.9
145.10120	14.7
146.05234	1.7
147.08018	2.8
147.11650	9.7
149.09659	2.7
149.13226	12.0
151.03879	5.2
151.11186	1.6
152.60074	1.1
155.08603	1.8
156.09361	2.2
157.10127	8.4
159.08011	2.0
159.10318	2.1
159.11639	12.9
161.09636	3.5
161.13246	10.1
163.03882	2.2
163.11206	4.3
163.14828	1.9
165.09062	2.2
169.10152	3.4
171.11632	7.6
173.09656	2.6
173.13188	7.1
175.11159	2.1
175.14792	5.2
177.12733	3.1
177.16333	1.5
182.10890	1.3
183.11693	4.4
185.13240	5.7
187.11201	2.0
187.14787	7.9
189.12709	2.5
189.16385	3.2
195.11697	1.8
197.13251	4.3
199.14836	3.8
201.16370	4.2
203.14297	1.7
203.18024	1.7
205.15909	1.9
205.19485	10.2
209.13289	2.1
211.14827	3.0
213.12833	1.4
213.16393	3.6
215.17911	1.9
219.13741	2.0
225.16277	2.3
229.15860	1.9
237.16229	1.8
239.17993	1.4
241.19461	1.7
251.18011	2.6
255.13887	1.2
256.96851	1.2
264.91351	1.1
269.18991	2.1
281.18781	1.4
299.20316	2.0
309.22083	1.5
315.19354	5.6
327.23318	2.4
337.11841	2.4
343.22256	1.5
355.22586	3.9
376.86407	1.3
381.27625	2.8
388.18448	1.4
409.30661	1.6
411.28998	3.1
417.29395	1.6
421.31003	2.7
423.32681	2.2
433.31491	1.7
439.31943	2.8
451.31821	9.1
469.33127	15.5
475.22711	1.3
487.34152	44.4
505.35202	100.0
506.35632	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3516
Annotation	11alpha-hydroxyasiatic acid
Peak:m/z	Relative Intensity
53.03941	1.3
55.05495	5.4
57.03400	1.5
59.04979	2.1
65.03909	1.2
67.05499	10.6
69.03408	2.7
69.07053	6.5
71.04983	7.4
71.52498	1.6
72.33869	1.0
79.05489	10.0
81.03388	2.2
81.07034	15.0
83.04964	23.0
83.08609	3.0
85.02886	4.0
85.06518	2.3
85.52344	1.0
89.60246	0.9
91.05447	9.9
93.06485	1.8
93.07028	17.8
93.07581	1.9
95.04948	7.3
95.08591	23.5
95.09184	1.6
97.06502	3.2
97.10168	1.8
99.04403	1.1
105.07014	20.1
107.04910	2.2
107.08569	19.2
107.09222	1.5
109.02847	1.3
109.06490	5.0
109.10128	14.6
111.04453	1.2
111.08068	2.4
113.05974	1.2
113.09610	3.8
116.54408	1.0
117.03336	1.2
117.07003	3.1
119.08550	21.0
119.09384	1.3
121.06495	3.2
121.10123	15.4
122.07232	0.9
123.08048	14.1
123.11679	5.9
125.06948	1.0
125.09642	2.4
129.06989	2.5
131.04901	0.9
131.08536	10.7
133.06458	1.3
133.10107	17.7
135.04337	1.5
135.08020	3.6
135.11658	6.9
137.06006	2.2
137.09590	82.3
138.09935	1.6
141.09068	5.8
143.08578	5.4
145.10080	14.1
145.11052	1.4
147.08047	2.9
147.11655	9.3
149.09599	3.0
149.13216	5.4
151.03899	2.6
151.11168	2.8
155.08537	2.6
157.10139	6.7
158.58907	1.2
159.08069	1.6
159.10310	2.1
159.11684	12.8
161.09624	3.3
161.13222	9.1
163.03900	6.5
163.07553	1.1
163.11127	4.6
163.14798	1.9
167.08495	1.4
169.10014	2.7
171.11652	6.6
173.09610	2.1
173.13168	6.2
175.11214	2.6
175.14734	5.5
177.12759	4.0
177.16348	1.9
179.10660	2.7
181.10118	2.8
183.11694	4.0
185.13237	5.7
187.11179	1.6
187.14777	6.5
189.12721	2.1
189.16393	3.9
191.10651	1.6
195.11658	2.4
197.13316	3.1
199.14818	6.6
201.12662	1.2
201.16304	6.0
203.14235	1.4
203.18018	1.8
205.15886	3.7
209.13260	2.8
211.14819	3.2
213.12747	1.2
213.16335	1.8
215.14403	1.7
215.17784	2.2
217.12254	1.6
217.15858	1.6
219.13887	1.5
223.14877	1.6
225.16425	3.0
227.14320	1.2
229.15968	1.9
231.13803	1.5
235.14804	1.3
237.16444	1.2
239.17853	1.4
245.15398	2.4
247.13171	1.3
251.17923	1.5
253.19456	1.4
261.14700	1.1
271.17072	1.1
281.19058	1.4
292.78043	1.0
299.20172	1.4
307.20789	1.2
309.22076	1.8
315.19559	4.7
325.21674	1.2
327.23184	2.8
337.21512	1.3
343.22791	1.1
355.22562	4.9
363.26666	1.2
373.23865	1.3
381.27948	3.2
415.28891	1.7
433.30957	3.5
439.31924	3.2
451.31906	6.6
469.33078	16.4
487.34158	41.2
505.35175	100.0
506.35846	5.2
534.23578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78006	1.2
53.03931	3.0
55.01860	3.2
55.05500	7.8
56.59732	1.1
57.07066	5.4
59.04988	2.5
61.02921	1.2
62.11568	1.6
67.05492	23.8
69.03416	5.7
69.07056	42.1
70.06592	1.6
70.24906	6.3
71.04989	6.5
72.08163	1.4
79.05486	14.1
79.74085	1.3
81.03412	5.3
81.07043	93.2
83.04978	1.6
83.08607	5.5
85.02885	9.3
85.06531	9.3
89.06045	2.7
91.03909	1.3
91.05455	13.1
93.07032	33.6
95.04947	5.7
95.08595	50.7
97.02862	4.7
97.06510	10.1
97.10149	3.8
99.04398	1.3
99.08086	3.8
100.11225	1.8
103.05460	2.7
105.07011	21.4
107.04949	2.2
107.08576	36.3
109.02870	2.9
109.06516	6.0
109.10137	35.1
111.08060	31.6
111.08793	2.3
111.11682	8.2
114.12718	1.9
115.89178	1.4
117.03365	1.3
117.07002	2.4
119.03429	2.9
119.04953	1.4
119.08549	18.7
120.08099	1.5
121.06502	3.7
121.10133	22.4
123.08087	3.9
123.11690	74.2
124.12014	1.8
125.09601	4.0
127.03902	3.6
127.11164	1.8
129.07086	1.7
130.08583	1.5
131.04886	2.8
131.08566	5.1
133.10133	16.6
135.07999	2.2
135.11667	16.9
137.05943	20.3
137.09557	1.9
137.13255	7.9
138.06288	1.6
139.11156	8.6
141.12704	1.4
145.04893	1.6
145.06485	1.5
145.10114	7.6
147.04384	3.1
147.11670	14.9
149.13213	11.7
151.03871	12.4
151.07468	2.8
151.11160	15.3
153.12737	3.6
154.96646	1.3
159.11661	7.9
161.05940	3.6
161.13255	8.0
163.03854	3.7
163.07500	2.2
163.11134	1.6
163.14763	8.3
165.12791	4.1
169.12253	3.9
173.13266	5.0
175.07538	2.2
175.14734	6.6
177.05396	2.7
177.09099	3.8
177.16368	6.9
178.90454	1.5
187.14806	3.2
189.16313	6.4
190.13051	3.2
191.17969	2.1
193.15872	2.9
201.16377	2.9
203.17987	2.2
207.17427	3.1
215.17953	3.4
221.18935	1.8
225.18500	1.7
233.03841	1.4
233.09546	2.2
245.22693	2.7
259.24249	3.1
261.09021	1.4
265.12140	1.2
271.24158	10.9
277.25208	7.1
289.22217	2.8
289.25229	31.7
293.11594	4.4
307.26266	100.0
308.26785	2.8
313.14325	2.4
314.61435	1.2
325.14307	8.0
325.27341	8.9
343.15475	4.3
469.33051	1.9
487.34048	2.0
500.93076	1.3
505.17831	1.7
505.24496	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	505.3154
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
55.05497	17.8
57.07061	9.7
67.05489	47.9
69.03405	9.7
69.07052	25.6
71.04984	7.8
71.78775	6.3
71.79199	7.3
76.13533	4.3
77.64964	4.8
79.05482	29.8
81.03421	7.2
81.07047	64.9
83.04955	8.6
83.08606	19.0
85.02882	11.2
87.02373	4.3
91.05447	29.0
93.07038	52.3
95.04971	23.6
95.08585	64.4
97.02878	6.8
97.06516	14.2
97.10164	4.7
99.04456	7.9
99.08060	4.9
103.40269	5.3
105.07016	63.8
107.04961	6.8
107.08574	80.1
109.06499	15.9
109.10141	81.4
110.10503	5.4
111.08060	4.7
113.05997	9.8
117.07007	13.5
119.08558	67.8
121.06490	7.8
121.10126	100.0
123.08053	20.3
123.11703	29.2
125.09614	7.2
128.06203	5.5
129.06955	11.8
131.08553	31.2
133.10109	56.1
135.08040	19.4
135.11664	72.1
137.09610	14.3
137.13255	11.1
141.09050	4.5
142.07796	6.5
143.08543	20.7
143.10666	5.3
145.10081	37.4
147.01047	4.7
147.04422	7.7
147.08058	6.5
147.11678	46.8
149.09616	18.5
149.13199	15.9
151.75578	4.8
153.09096	7.3
155.08549	10.0
157.10092	24.1
159.08066	9.5
159.11646	25.8
161.09590	16.1
161.13255	19.4
163.03900	11.9
163.11179	8.6
163.14821	29.1
165.09131	7.8
167.08479	5.9
167.10582	5.0
169.10130	10.9
171.11662	40.8
173.09689	6.3
173.13206	25.2
175.11203	13.0
175.14790	16.3
177.16403	11.6
179.10623	8.3
181.10188	7.8
183.11714	19.4
185.13235	26.0
187.11238	11.0
187.14795	16.9
189.12752	15.7
189.16411	36.4
191.14288	12.5
191.80107	4.7
193.12175	8.6
195.11710	10.3
197.13339	11.7
199.11264	5.9
199.14822	17.2
201.12704	15.0
201.16373	6.5
203.14357	10.7
203.17914	9.7
205.12195	5.9
205.15858	7.5
209.15311	8.6
211.14928	5.3
213.12753	8.2
213.16330	9.5
215.14334	19.3
217.15845	13.0
219.13707	4.6
222.79956	5.1
223.14874	9.5
227.12199	4.7
227.14349	6.2
227.18011	6.0
229.12346	6.9
231.13832	11.5
231.17366	6.7
233.15399	6.4
239.12624	7.8
269.15411	4.6
377.28125	6.8
387.26770	7.8
395.29440	28.8
405.27628	25.2
423.28772	63.3
441.29575	76.0
451.27850	24.0
469.29187	73.9
487.33673	20.8
505.34531	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	505.3152
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
53.03936	3.2
55.01856	3.9
55.05500	10.5
55.31615	2.6
56.44374	2.6
56.96548	5.7
60.94056	2.4
61.66735	2.9
62.71203	2.8
64.37068	2.8
67.05499	26.5
69.03429	7.8
69.07054	15.0
71.04968	7.0
71.79647	3.6
71.80015	5.3
73.54593	2.8
76.03076	3.2
79.05491	20.9
81.03386	6.4
81.07047	34.0
83.04974	10.0
83.08591	9.6
85.02905	7.2
85.06515	13.6
91.05462	30.7
93.07031	33.7
95.04962	10.4
95.08585	42.8
97.02895	3.7
97.06512	6.5
97.10141	5.5
98.97586	5.3
102.49341	3.2
105.07011	45.5
107.04927	4.4
107.08583	51.2
108.46650	4.1
109.06515	6.6
109.10144	30.6
111.04447	7.1
111.08086	5.3
117.07015	9.1
119.08569	56.0
121.06499	8.7
121.10136	47.7
123.08091	9.8
123.11691	13.6
125.09621	8.9
129.07027	3.8
131.00165	4.7
131.08572	26.4
133.06468	4.4
133.10100	41.7
135.08105	5.9
135.11664	25.6
137.05956	6.9
137.09616	10.7
137.13242	3.8
139.07524	4.2
143.08487	17.3
143.10666	6.7
145.10112	40.2
147.08040	5.8
147.11681	26.4
149.09651	5.9
149.13234	13.2
151.07538	5.4
155.08562	5.5
156.09253	5.1
157.10091	19.5
159.08075	8.2
159.11691	33.4
161.09612	11.5
161.13246	23.0
163.07446	3.0
163.11191	6.4
163.14799	8.2
169.10115	4.6
171.11670	35.9
173.09583	4.8
173.13248	34.8
175.11163	8.2
175.14847	15.3
177.08981	3.2
177.12686	15.4
177.16354	4.2
179.10683	4.1
179.14305	4.3
183.11676	10.4
185.13243	23.6
187.11200	6.7
187.14796	26.7
189.12706	16.7
189.16316	7.2
191.14293	9.4
195.11855	5.6
195.13748	5.6
197.13245	12.0
199.14859	10.1
201.12663	4.4
201.16371	6.5
203.02283	3.1
203.14305	12.0
205.15898	4.7
207.13821	11.5
211.14848	6.5
213.16289	6.4
215.14310	12.4
217.15887	7.8
219.13745	6.5
223.13225	7.4
225.16371	7.5
227.10657	2.8
227.14253	3.1
229.15887	8.4
233.15344	6.5
235.13159	5.9
243.17470	4.9
247.16907	5.3
253.19482	3.4
257.19162	3.0
265.19711	3.4
269.18918	4.6
357.24316	3.1
365.28271	4.8
377.28580	4.9
381.27826	3.3
387.26602	4.7
393.27814	6.9
405.27759	46.3
411.28946	9.3
423.28824	100.0
433.27368	6.7
439.28494	8.8
441.29343	4.8
451.28009	19.4
469.29276	33.8
484.24738	9.1
484.75253	8.3
487.30258	31.0
505.27792	4.8
505.35178	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	505.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42262	0.1
55.05498	1.0
58.06575	0.4
67.05495	0.2
69.07048	0.2
69.77707	0.8
70.06577	1.6
72.08134	0.1
75.37540	0.1
79.05450	0.1
81.07043	0.2
83.04969	0.1
84.08117	1.0
85.08910	4.9
91.05462	0.1
91.88996	0.1
93.07019	0.2
95.08597	0.1
100.11237	100.0
101.11569	0.8
103.04014	0.1
105.07004	0.2
107.08582	0.3
109.10136	0.1
114.12773	0.2
121.10147	0.2
123.11708	0.1
127.03876	0.1
130.08627	0.2
133.06479	0.1
135.04401	0.2
137.05920	0.6
145.10130	0.2
146.92584	0.1
151.03929	0.3
163.03867	0.9
163.07474	0.1
163.11142	0.2
296.25601	0.1
307.26141	0.2
325.10379	0.1
475.15524	0.1
505.28091	4.9
506.28577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05492	0.6
56.05022	0.5
57.05804	0.3
58.06339	0.2
58.06591	2.4
61.02911	0.2
61.67073	0.2
67.05489	0.6
68.05016	0.2
69.03413	0.2
69.05804	0.2
69.07061	7.3
69.72143	1.0
69.72553	0.4
70.06582	3.5
71.07362	2.0
72.08141	0.8
79.05465	0.6
80.60183	0.2
81.03410	0.3
81.07055	1.7
83.04980	0.6
85.02891	0.2
85.08919	0.6
91.03973	0.2
91.05476	0.7
93.07054	1.3
95.04959	0.6
95.08575	1.1
97.06514	0.4
98.27022	0.2
100.11243	100.0
101.11578	0.7
103.05455	0.5
105.07030	1.3
107.08602	1.0
109.02785	0.2
109.06490	0.2
109.10155	0.7
111.08036	0.2
114.12778	0.3
115.05512	0.2
119.08591	0.8
120.08089	8.5
121.06467	0.3
121.10116	0.9
123.08057	0.4
123.11689	0.4
124.03930	0.6
127.03873	0.2
130.08606	0.2
131.07297	0.4
131.08543	0.5
133.10162	1.0
134.06000	3.8
134.07018	0.2
135.06805	0.8
135.11688	0.5
137.05983	0.5
137.09595	1.5
143.08553	0.2
145.02832	0.2
145.10156	0.6
147.11688	0.7
149.13326	0.4
151.03882	1.6
151.11095	0.2
159.11732	0.5
161.13255	0.5
163.03859	0.4
163.14815	0.2
169.06441	0.2
171.11708	0.4
172.11246	0.2
173.13354	0.2
173.78426	0.2
174.09129	1.8
175.11104	0.2
175.14867	0.2
177.05493	0.5
184.07539	0.2
186.09119	3.2
203.11798	2.1
231.11345	0.7
259.10748	0.4
271.24014	0.2
280.43439	0.2
289.25302	0.2
289.45050	0.2
307.26419	0.5
326.68298	0.2
343.15268	0.2
350.18655	2.4
373.05588	0.2
378.18073	12.4
379.18127	0.3
409.31461	0.2
469.33380	0.5
487.33972	1.0
498.02615	0.2
505.28137	8.8
505.35254	1.5
506.18454	0.2
506.28467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
57.03406	0.9
65.03925	0.9
69.03421	1.9
70.06570	1.5
71.04967	0.8
71.38146	1.2
71.38496	0.7
72.08128	0.8
77.03914	0.5
81.03411	5.6
83.04964	0.8
84.08131	0.7
85.02894	2.5
86.09705	1.4
89.03889	2.0
91.04913	1.0
91.05468	15.7
93.06963	0.6
94.06541	0.6
95.04948	1.1
96.08121	0.8
97.02863	1.5
97.77723	0.7
99.04441	0.9
100.11246	0.6
103.05437	2.9
105.03349	0.9
107.04934	1.0
109.02870	4.0
114.09130	2.7
117.03364	7.0
119.04935	26.4
120.08087	0.8
121.06467	1.2
123.04396	0.7
127.03923	3.3
130.08643	1.9
131.04921	1.9
131.08797	0.5
133.02841	1.8
133.10045	0.6
135.04413	1.2
137.05988	3.1
138.05496	0.9
140.07036	4.6
145.02835	18.5
145.84769	0.6
147.04401	24.8
149.02336	0.9
149.05952	3.1
157.03984	1.8
161.05978	0.8
163.03813	1.3
163.07500	1.1
164.04575	1.0
167.07059	0.7
175.03897	47.3
176.04385	0.9
177.05455	40.9
179.07019	2.3
188.07080	1.2
206.04460	0.6
207.06509	100.0
208.06815	2.3
277.77017	0.6
321.09616	1.2
325.10776	1.5
339.10596	2.7
351.10605	3.8
369.11795	5.9
473.15436	1.3
505.17081	0.9
505.22519	1.9
505.28564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01854	3.7
55.05507	3.1
56.96291	3.0
56.96555	32.2
57.03419	13.1
61.02910	14.2
69.03424	38.3
70.06585	11.4
70.21516	9.4
71.04982	6.5
72.08130	4.4
73.02916	11.6
73.06532	20.7
81.03416	15.2
84.04497	4.0
84.96026	7.1
85.02892	100.0
86.03253	3.7
86.06020	2.6
87.04445	5.5
89.03892	3.7
91.03938	5.6
91.05419	14.9
94.69788	2.4
95.04973	2.5
97.02874	43.9
98.03234	2.8
98.06036	2.8
98.97565	94.6
99.04427	8.5
101.88940	2.2
102.01500	2.2
102.05555	2.3
102.55199	2.0
107.04871	3.0
109.02883	14.8
110.97552	10.2
112.07556	4.1
112.99135	2.8
114.05453	2.7
114.09166	4.1
115.97754	2.5
116.98603	77.6
117.03352	2.8
119.04927	26.5
120.05203	3.1
120.08091	5.9
122.03623	4.5
127.03899	36.1
128.98592	20.7
130.08611	3.4
131.00200	3.0
131.04912	2.5
134.99625	32.3
135.04381	8.0
137.05954	90.5
138.06303	4.2
139.03857	5.7
140.02289	4.4
140.07034	5.4
143.00127	5.4
145.01649	2.4
145.02837	7.1
145.04927	26.9
146.99614	20.5
147.04369	55.4
148.04756	3.0
149.01170	3.4
155.04604	7.5
158.99619	26.9
161.01196	9.3
161.02904	5.0
162.99127	3.9
163.02802	3.5
163.03908	25.4
163.06026	7.1
163.16232	2.7
167.07028	7.8
170.99625	7.9
173.01279	4.3
173.02838	3.2
177.00658	36.3
177.05428	4.8
179.03673	2.7
179.07014	39.0
180.07584	3.1
182.03305	6.5
183.04959	2.1
185.01318	3.2
189.00700	12.0
189.04433	2.6
191.03862	9.0
192.07811	5.6
197.08044	4.9
199.04358	5.3
200.02562	2.4
200.04318	12.6
201.00658	11.8
207.01903	2.5
208.04868	15.0
208.55119	2.8
213.00635	3.1
215.02200	3.8
217.05460	21.1
219.01747	44.3
219.55725	4.4
227.06914	6.2
235.02667	17.0
236.07278	6.9
237.02763	64.3
238.01393	4.2
242.00945	4.8
243.05415	3.3
244.07712	3.6
246.06516	3.8
247.29736	2.5
253.03886	17.5
253.06210	3.4
253.12692	3.0
256.02493	3.2
257.03348	3.1
260.02020	4.6
261.02829	10.5
265.03772	13.9
268.02625	5.0
271.04828	13.7
273.02884	3.4
277.03748	6.3
279.03940	7.4
280.07004	46.8
280.57254	6.8
281.03354	5.5
281.06842	18.9
281.57178	3.0
283.04773	11.2
289.07578	75.7
289.57849	11.5
295.04874	21.0
298.08124	22.5
298.58200	3.2
299.04239	11.2
301.05865	7.0
307.04807	8.7
309.08505	14.0
310.09662	2.4
313.05792	6.0
314.67273	2.3
317.05389	2.7
321.04910	2.8
325.05869	12.9
325.10312	15.6
325.60477	3.8
337.05774	3.1
340.09018	2.8
341.05374	2.5
343.61856	2.2
349.07779	2.6
351.09579	8.1
362.10034	2.7
362.60669	2.3
367.06580	3.4
370.09583	12.6
372.62640	2.9
378.10886	2.9
378.61386	2.7
379.10486	10.7
381.06717	2.9
407.12296	7.7
415.09024	23.6
427.09283	4.3
433.09628	3.1
441.09186	13.2
445.10095	47.4
446.10114	4.6
462.16235	6.5
463.11209	18.2
475.11124	3.4
505.12177	6.6
505.22351	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54193	0.6
55.05441	2.6
57.03392	0.6
57.96657	0.6
61.70052	0.6
63.61537	0.5
67.05428	2.7
67.05767	0.9
67.96803	0.5
69.06999	1.9
69.71337	0.9
69.71738	3.6
71.08569	0.9
79.05489	3.0
81.07043	14.6
81.07478	0.8
83.08524	2.0
85.06527	5.4
91.05406	2.2
93.06514	0.5
93.07032	5.0
95.08593	8.3
97.10098	1.0
98.21418	0.8
99.08075	3.4
105.06995	5.5
107.08578	12.8
109.10132	7.5
117.06931	1.6
119.08554	6.9
121.06432	0.7
121.10126	8.8
123.07964	0.8
123.11668	4.1
129.06967	0.7
131.08531	5.3
133.10109	7.8
135.11670	6.1
137.09561	0.8
137.13152	0.7
143.08450	2.6
145.09099	0.6
145.10100	7.4
147.11670	5.3
149.05910	0.8
149.13190	3.3
151.11197	1.3
151.97057	0.6
155.08487	1.0
157.10094	4.1
159.11679	7.4
161.13239	4.5
163.11159	1.0
163.14812	4.0
169.10030	2.6
171.11676	4.7
173.09584	1.7
173.13191	5.0
175.11105	2.2
175.14796	4.9
177.12653	1.2
177.16281	1.5
179.14279	0.7
180.24484	0.5
181.10016	1.2
183.11607	3.3
185.13239	5.3
187.11060	1.8
187.14766	5.8
189.12654	2.1
189.16339	1.8
195.11592	2.1
197.13208	3.0
199.10942	0.7
199.14795	3.0
201.12712	1.2
201.16451	4.4
203.14261	1.4
205.15851	0.6
209.13145	2.0
211.14754	2.1
212.32945	0.6
213.12755	1.1
213.16316	2.3
215.14294	3.1
217.15889	0.8
219.17514	0.6
221.13272	1.0
223.14748	2.1
225.12805	0.9
225.16325	3.0
227.14174	2.0
227.17783	1.4
229.15715	0.9
235.14728	0.7
237.16296	2.0
239.14293	1.3
239.17778	1.5
241.15788	1.6
241.19481	0.6
243.17433	1.8
249.16418	0.7
251.17934	1.4
253.19424	2.1
255.17290	0.9
261.14771	2.3
263.17834	1.0
265.19452	1.6
267.17224	0.6
269.15771	0.9
269.18948	6.8
271.16888	0.9
273.14810	1.7
277.19473	0.8
279.20920	2.9
283.17020	1.2
283.20410	1.7
285.14941	0.8
287.16309	0.9
297.18719	0.7
297.22122	1.2
301.17783	1.0
303.20959	2.4
311.19937	0.8
315.19321	0.7
321.22025	1.1
325.21451	1.3
329.21066	2.1
343.22562	1.6
349.21481	1.5
359.27231	7.9
367.22507	1.5
377.28323	13.0
378.28323	0.9
395.29376	2.9
405.27911	7.5
406.28253	0.9
411.28909	2.5
423.28894	39.0
424.29163	2.0
441.29932	100.0
442.30377	5.1
504.33145	47.6
505.33398	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	504.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01855	0.6
55.05488	1.0
58.06596	56.4
61.02911	0.8
69.03424	3.4
70.06581	3.5
71.78899	0.8
72.08151	4.7
81.03395	1.9
84.04491	1.3
84.08139	2.2
85.02897	3.6
86.09708	3.0
91.05442	1.1
96.08109	0.7
97.02876	1.1
99.04450	0.7
103.05457	0.7
105.07023	0.6
109.02876	2.3
111.04436	0.7
112.07678	0.6
114.09162	7.9
115.09537	0.6
116.07130	0.9
117.03340	0.9
119.04945	0.7
120.08096	0.8
121.06520	0.8
127.03905	1.5
130.08636	8.6
131.04878	0.8
133.02812	1.7
135.04407	1.0
137.05954	1.7
138.05467	0.6
145.02847	0.9
146.08102	1.0
147.04379	1.6
149.05989	1.0
149.09673	0.7
157.06390	0.5
160.09688	0.7
163.03906	4.9
165.07108	0.6
166.06218	0.5
167.06984	0.9
175.03925	1.0
177.05455	1.8
178.04968	0.7
179.08565	1.9
181.10179	0.5
188.25645	0.5
189.06999	0.8
191.08549	6.5
194.07355	0.8
201.05255	0.6
205.06529	1.6
206.04501	0.8
207.07921	6.2
208.08052	2.0
209.09634	4.1
219.08018	4.9
221.05954	0.7
222.06752	6.7
223.07594	1.5
228.06807	0.9
229.07207	0.9
233.05998	2.1
235.07568	1.7
236.08331	1.1
237.09073	9.4
247.07552	2.4
250.06285	1.3
251.07037	1.0
251.10730	0.9
252.07655	0.6
253.08708	0.6
255.10217	1.0
265.08588	35.7
266.09189	1.3
267.06509	1.9
267.09781	0.6
269.11685	0.6
272.12509	0.8
277.16589	0.8
279.10181	2.3
282.08841	12.0
283.09451	0.8
284.10507	1.3
286.17603	0.7
297.11182	36.2
298.11493	0.6
299.12799	5.6
323.12457	1.0
324.12808	1.5
324.86185	0.6
325.10358	0.6
341.13443	1.7
342.14050	4.3
342.17004	100.0
343.17355	1.9
486.20062	1.2
486.27090	0.7
504.22202	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3725
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03927	2.2
54.39083	0.6
55.01855	0.9
55.05501	17.6
57.03424	2.2
57.07067	3.7
59.04981	1.4
65.03924	2.3
67.05494	50.6
69.07059	13.9
70.22325	0.6
71.04986	6.1
71.08621	2.4
71.79753	0.9
71.80168	0.7
79.05481	28.3
81.03408	11.7
81.03876	1.1
81.07042	82.2
83.04963	1.9
83.08603	11.0
85.06536	7.1
85.10174	0.7
89.06021	0.6
91.04903	1.2
91.05465	20.6
92.62448	0.6
93.07028	28.1
95.04948	7.0
95.08591	19.6
97.06523	2.4
97.10147	4.9
99.08122	1.1
100.89021	0.6
105.04535	0.6
105.07016	14.4
107.04983	1.3
107.08573	15.1
109.06510	2.3
109.10134	9.3
111.08060	1.9
111.11712	1.8
113.53633	0.6
117.06966	4.3
119.08562	11.6
120.08875	0.5
121.06538	0.6
121.10133	12.8
123.08073	1.8
123.11685	8.9
125.09608	0.8
127.25176	0.6
129.06987	2.4
131.08530	8.5
133.10112	12.8
133.13687	0.6
135.08040	1.0
135.11676	7.4
137.09560	0.7
142.07921	0.8
143.08571	1.7
145.10106	6.9
147.11671	6.1
149.09645	1.1
149.13219	2.9
151.11185	4.0
153.12720	1.8
157.10118	3.5
159.11685	6.0
161.13248	3.9
169.12263	1.8
171.11696	2.2
173.13202	3.7
175.11198	1.6
175.14822	2.0
185.13271	1.5
187.13286	7.2
187.14838	2.6
193.12234	4.0
197.13329	0.7
199.14946	1.1
211.14859	0.6
215.17957	0.9
225.16458	0.7
227.16396	1.6
239.17975	0.7
243.21158	1.0
259.20679	1.1
261.22189	2.1
275.20035	1.3
285.22321	0.6
299.23605	0.9
334.42227	0.7
393.31561	1.0
407.29346	0.8
411.32605	3.3
425.30405	0.7
429.33710	1.1
485.36319	3.0
503.37320	100.0
504.37680	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	503.3723
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
51.02365	0.5
53.03933	2.5
55.01836	0.5
55.05502	16.6
57.03414	1.8
57.07067	3.8
57.81575	0.5
59.04982	1.3
61.90603	0.4
65.03928	2.6
67.05495	60.1
69.03400	0.7
69.07058	11.3
69.57446	3.2
69.57860	0.8
71.04980	6.6
71.08616	1.5
73.06542	0.7
77.54128	0.5
79.05479	28.9
81.03413	6.5
81.07043	94.0
82.07349	0.7
83.04976	2.2
83.08606	9.0
85.06525	10.9
87.04463	0.5
91.05469	21.9
93.07030	29.2
95.04951	5.0
95.08593	20.5
97.06504	1.3
97.10158	4.7
98.21430	1.0
99.08035	0.4
105.04482	0.8
105.07013	12.2
107.08576	15.0
107.09306	0.7
109.06510	1.5
109.10132	10.0
111.08060	1.3
111.11743	0.9
113.06016	0.5
115.05384	0.6
117.07011	3.4
119.08556	8.7
121.10120	12.7
123.08053	0.8
123.11681	12.1
125.09616	1.0
129.07042	1.6
131.08543	5.6
133.10107	14.0
135.11661	7.1
137.09622	0.6
143.08530	1.0
145.10085	4.9
147.11658	4.1
149.09546	0.8
149.13251	3.1
151.11192	4.8
151.53804	0.5
153.12859	0.7
155.08556	0.5
157.10100	1.8
159.11674	3.7
161.13223	1.9
163.14761	1.0
168.34525	0.5
169.12221	1.7
171.11705	0.7
173.13206	2.4
174.37903	0.5
175.11154	0.7
175.14815	1.1
183.11546	0.5
185.13194	0.6
187.13277	10.6
187.14780	1.3
189.16356	0.4
193.12228	2.9
195.03163	0.5
199.14787	0.8
201.16522	0.6
227.16324	0.7
243.21242	0.6
245.18704	0.4
249.14720	0.5
259.20755	0.6
259.80463	0.5
261.22061	3.4
317.24747	1.1
411.32468	1.6
429.33588	0.6
485.36374	1.4
503.37234	100.0
504.37753	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3362
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
51.88930	1.7
53.03931	2.6
55.05496	8.1
55.99090	1.5
57.07064	2.2
61.04918	2.0
67.05495	10.0
69.07065	9.5
69.52213	14.8
79.05469	12.6
81.07043	29.0
83.08595	6.2
85.41810	1.5
90.69348	1.7
91.05460	18.1
93.07028	30.0
95.04927	5.3
95.08588	38.4
97.02863	2.1
97.10156	2.8
98.20515	1.8
104.75209	1.6
105.07008	38.8
107.08578	55.0
109.06506	4.7
109.10147	21.0
111.04409	4.1
111.08043	2.9
112.79920	1.7
113.05975	3.1
116.06157	1.9
117.06982	5.8
119.08563	57.9
121.06496	2.0
121.10128	55.1
123.08028	2.4
123.11714	9.2
129.06966	4.0
131.08542	26.5
133.10117	40.8
135.08054	2.9
135.11668	21.8
136.68263	1.7
137.13229	2.7
139.07487	2.3
142.07671	2.4
143.08493	9.6
144.09334	3.5
145.10100	43.6
146.10378	1.8
147.08006	4.0
147.11656	23.6
149.13239	6.9
153.09059	3.8
155.08524	1.8
157.10100	10.0
158.10912	1.9
159.08006	4.4
159.11656	28.6
161.09610	5.2
161.13225	17.7
163.14772	9.4
165.09044	2.6
169.10056	2.0
171.11682	12.1
172.12466	2.2
173.09695	2.4
173.13242	27.9
175.11256	2.2
175.14796	43.7
176.15096	2.0
177.12720	3.1
177.16347	27.6
183.11702	2.9
185.13266	13.6
187.14790	91.2
189.16385	25.6
191.10603	2.1
191.17848	2.8
193.15889	2.4
195.13704	2.7
197.13318	3.5
199.14810	12.7
201.16360	32.2
203.17934	12.1
205.12257	3.4
205.15898	2.1
207.13832	3.9
211.14824	3.2
213.16342	16.0
214.17096	2.1
215.14275	5.7
215.17941	16.5
217.19502	2.6
219.13707	5.3
221.15401	1.9
225.16473	1.9
227.17839	3.9
229.15878	4.5
229.19504	2.6
233.15347	9.0
241.19421	7.9
247.16873	7.2
255.21045	5.8
259.16925	3.7
267.21036	5.9
281.22644	2.1
309.25641	5.8
375.30301	6.0
391.29803	4.0
393.31534	3.8
403.30011	6.4
409.31024	12.0
421.30945	100.0
422.31290	5.0
423.32474	25.4
437.30383	6.8
439.32272	11.2
449.30688	8.6
455.31961	1.8
467.31558	22.0
468.31699	2.3
485.32617	27.8
507.33643	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	503.336
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
50.36064	3.6
51.54205	4.0
55.05493	12.5
67.05493	41.9
67.20457	3.6
69.07051	21.6
69.26357	3.3
72.64302	3.5
79.05458	11.8
81.07040	43.5
81.43659	3.3
82.91235	3.2
83.08591	11.3
85.06522	5.5
87.14333	3.4
91.05477	18.2
93.07003	32.9
95.04948	4.6
95.08598	58.3
97.06520	7.4
97.10152	7.0
105.07005	37.9
107.08562	50.8
109.10135	42.5
117.06997	8.4
119.08560	54.4
121.10116	61.8
123.08013	5.4
123.11710	10.4
131.08545	21.6
133.10110	76.0
135.07986	5.2
135.11653	22.1
137.13242	6.7
143.08528	9.3
145.10097	29.8
147.11642	31.1
148.98120	3.8
149.09540	6.9
149.13239	17.7
153.09085	8.6
157.10103	11.5
159.11630	16.4
161.13223	39.8
163.11119	4.1
163.14803	26.4
169.10132	7.1
171.11664	11.4
173.11728	4.3
173.13145	18.7
174.13580	3.5
175.14821	25.5
177.16379	13.6
179.10670	13.2
185.13258	10.5
187.14787	49.5
189.16347	100.0
189.18013	6.5
190.16760	6.0
191.17900	53.3
197.13167	4.3
199.14825	14.7
201.16348	16.9
203.14281	6.3
203.17926	51.5
205.15761	5.0
207.13786	9.1
213.16403	8.8
215.17926	10.2
219.13934	4.4
219.17430	5.5
220.32031	4.0
221.15364	5.9
229.19637	4.8
235.16888	5.4
247.16989	6.1
275.19989	13.2
300.76273	4.3
317.54382	4.1
318.91617	4.4
375.30573	4.2
393.31461	15.0
397.31058	4.5
411.32663	32.7
412.07950	4.3
413.34232	4.2
421.30807	20.4
439.32040	55.9
449.30646	5.3
457.33127	84.4
458.33734	9.0
467.31293	15.0
485.32385	12.8
503.33768	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	503.3361
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.05492	9.8
56.86222	2.4
57.07069	3.8
58.69216	2.5
65.03932	3.4
67.05492	17.1
69.07053	10.9
71.24097	7.2
73.06527	6.0
76.09820	2.8
79.05489	16.6
81.07047	31.2
82.62531	2.5
83.04971	3.0
83.08602	5.7
85.06534	5.4
91.05450	21.7
93.07040	29.4
95.04935	3.9
95.08587	33.5
97.06493	5.5
97.10130	3.1
99.08038	3.0
105.07011	52.0
107.08579	50.5
109.06513	3.9
109.10137	19.4
111.08056	7.3
117.07005	10.3
119.08569	72.7
121.06464	4.6
121.10119	51.9
123.08046	9.6
123.11700	9.1
123.31341	2.4
129.07033	4.1
131.08549	58.0
133.06474	3.1
133.10114	72.5
135.08005	5.3
135.10628	2.7
135.11664	54.0
137.09624	6.6
137.13300	3.8
139.07547	3.0
141.06854	3.2
143.08545	16.8
144.09297	5.1
145.10100	56.4
147.08044	6.6
147.11671	52.8
149.09576	4.5
149.13237	19.4
150.56039	2.7
151.11160	2.7
155.08499	3.6
157.10144	17.7
158.10890	11.9
159.07985	4.5
159.11681	58.2
161.09651	3.1
161.13237	34.6
163.07507	7.1
163.11201	7.5
163.14796	16.5
165.09052	4.0
169.10120	6.2
171.11722	23.3
171.13062	4.3
173.09589	7.3
173.13234	91.1
175.11177	11.3
175.14789	68.3
177.09082	6.8
177.12756	12.5
177.16327	10.2
179.14279	3.3
183.11696	7.3
185.13225	20.9
187.11188	4.7
187.14792	83.5
189.12813	4.6
189.16315	16.6
191.10617	6.2
191.14291	35.5
193.15878	11.0
197.13235	8.8
199.14751	11.0
201.12709	7.0
201.16345	19.3
203.14278	10.6
203.17941	4.7
205.12259	5.6
205.15816	16.3
211.14731	4.0
213.12611	4.8
213.16341	6.4
215.14308	10.0
215.17921	8.2
217.15878	4.6
219.11720	2.0
219.13773	37.5
221.15326	10.5
223.14934	3.6
225.16328	5.3
227.17932	6.1
229.15855	9.5
231.13763	2.9
231.17400	2.8
233.15302	10.0
235.16920	3.0
237.14810	49.7
239.17873	3.4
241.19391	3.7
243.17569	2.9
245.15317	5.1
247.16986	13.0
255.21017	8.3
259.16895	3.6
271.20419	3.3
361.28763	14.2
371.27310	5.0
379.29886	59.8
389.28323	32.2
397.30862	32.4
407.24323	4.8
407.29425	95.4
408.29773	4.6
417.27905	3.9
421.30850	10.3
425.30460	100.0
426.30771	4.4
431.29724	3.9
435.28711	11.3
439.31900	11.7
443.31442	10.6
449.30457	16.1
453.29733	4.1
467.31613	24.5
485.32407	8.0
503.33630	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	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01858	2.2
55.05496	8.3
56.22253	1.5
57.03422	3.4
57.07073	1.7
67.05502	14.5
69.03403	4.0
69.07050	10.5
71.04999	1.9
71.79288	2.1
75.90721	1.5
79.05482	16.2
80.97792	1.8
81.03371	3.4
81.06601	2.2
81.07045	29.0
83.04975	2.7
83.08601	5.7
85.02888	6.2
85.06538	2.7
91.05451	19.7
93.07032	27.0
95.04958	7.5
95.08590	31.6
97.02859	3.1
97.06518	4.7
97.10158	2.8
99.08093	12.1
103.49368	1.6
105.06313	3.3
105.07014	53.9
105.97482	1.5
106.07355	2.5
107.04927	3.5
107.08581	30.3
108.08908	1.9
109.02877	2.2
109.06507	4.7
109.10135	25.4
111.04402	1.5
111.08076	2.7
115.05474	1.9
117.07009	8.9
119.08569	45.0
121.06488	6.6
121.10120	38.1
123.04398	1.7
123.08068	6.1
123.11680	6.7
125.05988	7.4
125.09622	3.8
127.03879	2.9
128.06190	2.8
129.06982	4.9
130.07791	2.1
131.04945	10.2
131.08557	29.9
133.06470	3.4
133.10109	34.4
134.10432	1.9
135.08022	6.9
135.11668	22.7
137.05972	9.9
137.09572	4.7
137.13235	2.0
139.07568	2.2
140.97272	1.5
143.08556	10.6
145.06442	3.6
145.10104	39.3
146.10466	2.2
147.08034	13.3
147.11673	19.9
149.02380	1.7
149.05957	32.5
149.09605	6.7
149.13264	11.2
151.11176	2.8
155.08607	2.7
157.10081	9.4
158.10826	3.3
159.08063	2.3
159.11693	16.1
161.05930	2.0
161.09601	3.4
161.13228	15.2
161.99194	1.7
163.07539	3.4
163.11134	6.2
163.14799	20.6
165.12730	1.9
167.05606	2.0
168.50073	2.0
169.10019	3.1
171.11662	8.6
173.09590	2.8
173.13237	31.3
174.13649	3.0
175.11180	3.8
175.14801	17.9
177.05269	2.5
177.12743	3.2
177.16338	15.4
183.11687	6.7
184.36183	1.7
185.13252	6.8
187.14790	54.0
188.15237	2.3
189.16376	4.9
191.14250	3.3
195.11667	2.4
197.13190	3.2
199.07425	1.7
199.14745	6.0
201.12715	11.5
201.16357	6.7
203.14287	6.7
203.17908	8.8
205.15845	41.9
207.13701	2.1
209.13306	2.3
211.14740	3.0
213.16315	3.5
215.14320	2.3
215.17940	3.4
217.15855	3.9
219.13773	45.7
221.15382	1.7
221.19049	3.2
223.15007	2.6
223.16884	74.5
224.17406	2.6
225.16380	2.7
229.19511	2.0
235.16754	2.1
237.14667	8.6
239.17946	1.8
253.19394	1.7
288.24084	2.4
323.12717	1.8
393.31497	2.0
403.30042	2.9
405.31723	2.0
409.31033	2.9
421.31091	11.9
423.32422	2.4
439.32220	16.1
441.33728	9.2
457.33112	100.0
458.33051	5.0
459.34479	4.3
467.31857	2.5
485.32312	7.2
503.34122	39.2
516.14319	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	503.336
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03949	3.9
55.05494	18.1
57.07072	6.9
59.04978	4.8
67.05506	48.5
69.07055	23.6
69.58631	23.1
69.59045	14.2
79.05478	28.4
81.07042	52.5
83.08597	18.0
91.05461	24.3
93.07029	51.5
95.04954	18.9
95.08595	69.4
97.06513	6.7
97.10156	4.5
98.21445	7.7
101.40611	4.1
105.07005	53.2
107.08585	65.9
109.10149	68.7
113.05993	8.9
117.06984	13.6
119.08561	89.3
121.06493	6.1
121.10126	100.0
123.08039	6.8
123.11701	40.1
128.06239	4.6
129.06979	10.5
131.08522	36.1
133.10103	78.9
135.08069	12.5
135.11682	77.7
137.09615	6.2
137.13228	8.0
139.11168	9.4
139.82292	4.6
142.07727	4.5
143.08543	14.8
145.10097	60.0
147.07956	5.1
147.11681	50.8
149.09583	4.9
149.13196	10.9
151.11235	6.2
153.09102	10.5
155.08505	5.2
157.10107	22.1
159.11668	37.2
161.09622	10.5
161.13245	35.2
163.11264	4.6
163.14781	29.3
165.09102	6.9
169.10127	6.6
171.11678	55.5
172.12459	5.5
173.13235	59.8
175.14789	30.7
177.16383	13.4
179.10719	9.5
179.14218	6.0
181.10109	4.7
183.11635	9.9
185.13170	28.2
187.14833	37.5
189.12712	6.4
189.16365	42.9
191.14330	20.3
191.17953	9.7
193.15843	6.5
195.11700	4.8
197.13240	8.2
199.14780	41.3
201.16318	29.0
202.05052	4.5
203.14348	12.9
203.17914	12.3
205.15871	7.0
207.13786	8.4
209.13361	4.1
209.15375	9.8
213.16328	11.0
215.17870	10.4
217.12184	5.9
217.15845	13.0
219.13786	11.9
219.17453	11.5
225.16383	8.1
227.17966	8.0
229.19498	6.4
231.17418	13.8
233.15399	6.6
237.14731	6.0
245.15309	4.9
253.19426	3.9
267.21060	6.2
269.22656	7.6
275.20029	11.7
320.32535	4.6
323.23645	13.4
331.26022	4.9
335.26932	5.7
343.19003	4.7
363.26761	8.5
369.24240	4.8
371.25818	12.9
381.27954	30.0
393.31448	23.4
403.30011	16.0
411.32434	14.6
421.31009	65.4
439.32111	89.9
440.32779	6.3
449.30460	17.5
457.33014	9.7
467.31534	55.6
468.31180	6.1
485.32916	25.4
503.34131	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	503.3362
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03928	4.4
55.01838	2.8
55.05501	22.8
57.03409	4.4
57.07041	5.0
58.06305	2.1
59.04990	4.7
65.03918	3.8
67.05492	95.8
69.03405	2.8
69.07050	24.1
71.04955	6.2
71.79041	3.8
73.06503	2.5
75.59921	2.3
79.05071	2.6
79.05482	33.9
81.03397	5.0
81.07042	57.7
82.10562	2.3
83.04931	4.0
83.08591	13.6
85.06499	5.8
91.05453	33.3
93.06500	3.0
93.07032	39.3
95.04935	6.9
95.08591	37.9
97.06482	9.1
97.10114	7.1
105.06329	2.8
105.07005	45.0
107.04901	6.0
107.07911	3.3
107.08578	57.7
109.06476	9.0
109.10142	65.0
111.08048	4.8
115.05378	3.7
117.06990	12.3
119.08562	66.2
120.08857	2.4
121.10120	45.6
123.08021	6.5
123.11634	3.8
125.09562	6.3
127.91866	2.6
129.06982	4.3
131.08548	22.2
133.09167	3.1
133.10100	40.6
135.08009	5.0
135.11642	11.4
136.31276	2.2
137.09579	6.2
143.08484	6.4
145.10107	31.6
146.10373	2.9
147.08012	4.9
147.11655	21.2
149.09592	11.3
149.13223	7.5
151.11143	3.7
153.08974	3.9
155.08524	5.4
157.10077	8.7
159.11688	18.2
161.09514	6.9
161.13155	10.6
163.11121	11.5
163.14769	6.5
165.09032	3.0
169.10107	4.3
171.11618	8.4
173.11658	12.4
173.13222	14.7
175.14795	95.0
176.15108	2.6
177.16376	29.1
179.14191	5.9
179.60831	2.1
183.11612	5.5
185.13188	9.7
187.14717	7.3
189.12714	3.5
189.16348	18.8
193.15800	7.1
197.13156	3.4
199.14697	4.8
201.12788	2.4
201.16301	6.1
203.14278	75.1
205.15781	7.7
213.16374	3.2
215.17865	4.9
217.15810	6.0
219.17412	4.4
221.15326	23.1
228.82599	2.1
229.14243	8.5
231.17320	3.0
231.48318	2.7
235.16922	21.3
239.17851	6.1
243.17451	3.3
249.14848	32.6
257.18976	17.0
259.20441	4.3
261.18494	2.8
262.18781	3.4
263.16458	3.8
275.19992	29.0
293.20993	2.8
299.19778	2.3
339.26685	8.2
393.31577	5.5
394.31570	4.4
397.30719	8.7
403.29462	2.9
411.28973	3.7
421.30853	11.7
422.31168	6.0
429.29767	2.5
439.32019	28.9
440.32278	8.6
442.72623	2.3
443.31427	16.2
449.30487	3.0
450.30582	4.6
457.32901	6.1
467.31204	7.1
468.31830	4.0
485.32599	52.2
486.33182	5.8
503.33591	100.0
504.34427	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	503.2995
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
55.05505	17.5
55.05719	3.1
57.03430	22.9
57.07059	5.9
59.04974	5.1
67.05495	23.4
69.03419	4.7
69.07056	26.3
71.00799	9.5
71.53482	3.8
79.05473	14.5
81.03406	3.4
81.07039	48.3
83.08604	20.5
91.05467	25.1
93.07029	31.2
95.04932	5.7
95.08582	40.3
97.06486	6.0
97.10121	6.1
105.07014	41.4
107.08578	58.9
109.06487	7.2
109.10136	35.6
111.08080	8.2
116.49334	4.2
117.06993	10.7
119.08556	45.2
121.06491	5.6
121.10127	48.3
123.08032	8.0
123.11686	37.7
125.09612	36.7
129.06178	3.3
129.06981	19.6
131.08548	40.6
133.10094	35.3
135.08028	8.6
135.11650	22.4
137.05948	3.9
137.09575	5.3
137.13234	10.0
142.07776	4.3
143.08514	28.2
145.10115	47.9
147.08041	6.0
147.11649	27.6
149.09570	7.1
149.13213	20.7
153.09065	38.3
155.08553	18.3
157.10088	32.6
159.11667	31.9
161.09531	4.6
161.13232	32.3
163.11137	7.6
163.14792	12.8
165.12704	9.4
167.10651	4.5
167.14311	8.2
169.10083	22.9
171.11673	34.1
173.13220	35.4
175.07559	4.3
175.11145	5.8
175.14778	14.5
177.12700	3.9
177.16394	8.4
181.10088	8.1
183.11702	21.3
185.13211	23.5
187.11168	4.1
187.14763	28.4
189.12804	6.1
189.16280	9.0
191.14311	7.6
193.12212	17.4
195.11667	10.7
195.13766	5.8
197.13257	21.8
199.14798	29.7
201.12708	6.3
201.16321	22.1
205.12233	6.8
205.15791	16.0
207.13718	8.4
209.13229	11.0
211.14828	11.2
213.12685	4.0
213.16310	29.6
215.14290	6.6
215.17953	21.1
217.15852	5.3
219.13805	9.0
221.13231	6.3
223.14796	11.6
223.16911	29.0
225.16331	33.8
227.17926	22.7
231.13863	5.1
233.13290	4.7
233.15457	4.2
235.14804	6.1
237.16399	16.0
239.17834	17.8
241.19507	13.8
243.17429	5.0
245.15340	7.8
247.16995	9.4
251.17961	10.0
253.19487	12.4
259.16919	14.4
261.18533	9.5
263.18066	7.5
265.19495	6.6
267.20898	4.4
271.16879	7.7
273.18518	7.9
277.14236	17.1
277.19348	5.3
279.21143	4.1
291.21002	9.4
293.22562	7.5
297.18549	3.5
299.20016	7.6
305.22653	11.1
307.24149	6.6
309.25717	5.9
311.20221	4.6
323.20096	4.1
323.23608	5.6
337.21722	5.5
337.28827	5.1
347.27249	14.1
349.28867	4.1
351.23123	5.4
365.28339	16.4
375.26834	14.1
383.29495	4.7
393.27826	100.0
395.29401	69.5
403.26056	11.3
411.28775	39.3
421.27231	49.5
423.28430	4.6
439.28256	91.7
440.28226	3.7
441.30090	6.3
449.26715	13.2
457.28433	36.8
467.27692	54.0
485.28412	20.7
503.33246	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	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01856	1.6
57.03427	1.4
58.40834	0.6
60.40997	0.6
61.02916	2.9
67.73154	0.6
69.03423	7.2
69.71956	5.4
70.06577	1.3
73.02908	0.9
78.13287	0.6
79.05469	2.2
81.03408	4.6
81.07034	1.9
84.08117	0.9
85.02896	16.8
86.09679	0.8
87.04452	1.0
91.03971	0.9
91.05466	5.3
93.07047	1.0
94.04184	2.4
95.04960	1.5
97.02879	5.5
98.21408	1.0
99.04464	1.0
100.11256	0.6
103.05495	3.0
105.07029	5.1
107.04929	1.7
107.08561	1.3
109.02866	3.5
109.06479	1.9
114.09161	3.6
114.12807	1.2
115.05445	3.5
117.03418	0.7
117.07014	2.3
119.04926	1.4
119.08559	3.8
122.03641	7.6
127.03910	3.1
128.06232	1.6
129.06993	2.6
130.08636	1.5
131.04930	6.1
132.05661	3.3
133.06451	3.1
133.10094	0.7
137.05965	100.0
141.06992	1.2
145.04915	1.7
145.06468	1.5
145.10120	1.1
146.03555	0.7
147.04361	2.2
147.08023	5.3
149.05959	1.8
151.07544	1.1
155.04895	1.0
159.08064	1.6
160.05170	2.5
161.05962	11.8
163.03894	1.3
163.07529	9.2
167.07053	1.0
169.06447	1.3
171.08041	1.2
172.05171	0.9
175.07527	48.5
177.05482	1.3
177.09123	2.1
179.07045	0.8
184.05147	1.6
187.07545	7.2
189.05453	0.7
189.07025	0.8
189.08891	0.6
190.07776	2.3
191.07013	1.1
191.08528	4.9
199.07512	10.0
201.05414	1.4
201.09088	1.2
202.07747	3.5
203.08551	6.4
205.06345	0.7
205.10231	0.9
208.08992	0.8
218.07246	2.0
219.08031	9.1
220.08821	2.8
221.05911	0.7
230.07104	1.1
231.08051	10.0
232.08885	1.8
233.09673	1.2
235.07530	1.7
236.08336	1.9
237.08907	0.7
247.07538	4.0
248.08275	5.0
249.09149	1.6
251.10658	12.3
258.06934	0.7
259.07440	6.9
260.08273	3.3
261.09094	1.1
262.09912	0.9
263.10657	4.6
264.07788	1.5
265.08582	2.0
267.10059	0.9
275.07211	1.1
276.07791	3.8
277.08575	3.3
279.10150	10.5
280.10864	1.8
281.08096	1.1
281.11203	0.9
291.10120	15.2
292.10754	3.2
293.08090	1.5
293.11380	0.8
295.13235	1.3
296.10339	1.3
308.10272	2.2
309.11255	0.9
311.12762	28.0
323.12756	29.9
325.14291	2.6
341.13806	1.9
366.84845	0.7
426.74112	0.7
503.19858	1.1
503.29691	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	503.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01857	2.1
57.03429	3.7
58.06579	0.9
59.04973	0.7
61.02923	2.5
67.01852	0.4
69.03420	18.8
69.66691	3.6
70.06570	2.2
71.04976	5.2
72.08144	0.9
73.02896	1.8
81.03407	19.6
83.04904	0.4
85.02893	16.9
86.09666	0.8
87.04423	1.3
91.03918	1.4
93.07004	0.9
97.02299	0.7
97.02873	7.0
98.20624	0.8
99.04438	6.9
105.07047	0.8
107.04947	0.6
109.02839	2.6
109.06513	0.5
111.04418	1.1
114.09159	2.4
117.05489	1.4
119.04980	0.5
119.08522	0.5
121.06448	0.7
121.10141	0.8
123.04334	0.5
127.03900	3.6
130.08650	0.6
133.07581	2.3
134.06056	0.8
135.09108	0.4
137.05942	1.8
138.06345	0.6
145.02855	0.6
145.04901	2.7
147.04391	0.9
149.09579	5.0
151.03865	0.5
153.05450	1.0
160.07529	0.7
161.05853	0.7
161.07092	5.8
163.03894	2.8
163.08635	4.6
166.84023	0.5
167.05588	0.6
167.06989	1.0
167.10651	1.5
170.06256	2.0
171.06645	1.3
172.12439	0.5
178.07426	0.9
179.08153	1.5
189.06610	4.4
191.08139	5.8
191.14296	0.5
206.06853	0.6
207.07625	98.0
208.07980	1.3
216.06287	0.4
219.07739	1.0
221.09093	0.7
231.04350	0.6
231.07761	0.8
249.08646	1.1
265.08649	0.7
282.08719	0.6
287.10083	1.2
293.17523	0.6
297.11194	1.3
297.32327	0.6
305.11185	2.1
311.99478	0.5
323.12338	30.9
341.13394	100.0
342.13290	0.9
342.16907	1.6
503.22723	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	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47950	0.5
53.03927	1.3
55.01846	1.6
57.03413	1.9
61.02903	2.0
62.35301	0.5
65.03919	0.5
66.04681	0.5
67.05489	0.7
69.03419	7.4
69.80796	3.8
70.06562	0.6
71.04980	1.3
73.02893	1.0
79.05472	1.8
80.56077	0.5
81.03412	3.2
81.07043	2.2
83.04900	0.5
85.02370	0.9
85.02891	17.3
85.06501	0.6
87.04439	0.8
91.03925	0.8
91.05464	4.5
93.07028	0.7
94.04176	2.7
95.04960	0.5
95.08577	0.7
97.02879	5.2
98.20649	0.5
99.04424	0.9
103.05447	2.6
105.07007	3.9
107.04932	1.8
107.08543	0.9
109.02860	2.2
109.06503	3.2
109.10136	0.7
114.09142	0.9
115.05437	2.1
117.07007	1.1
119.04932	0.8
119.08553	3.2
121.06526	0.8
122.03631	7.3
127.03886	3.3
128.06221	2.0
129.06975	2.1
131.04913	5.4
132.05737	2.6
133.06464	3.2
136.03957	0.8
137.05959	100.0
138.06380	0.9
140.18048	0.5
141.06929	1.0
143.04893	0.6
145.04958	2.2
145.06421	0.9
146.03603	1.2
147.04407	2.0
147.08044	2.9
149.05954	1.8
151.03957	0.5
151.07475	1.0
155.04854	0.8
159.08064	2.2
160.05182	2.1
160.09669	1.2
161.05962	11.5
163.03842	0.7
163.07512	8.6
167.06987	0.9
168.05682	0.7
169.06421	0.8
171.08018	1.1
173.05920	0.8
175.07523	39.4
177.05516	1.3
177.07043	0.6
177.09038	0.5
181.50642	0.5
184.05173	1.4
185.05989	0.7
187.07549	6.8
189.09088	0.7
190.07791	1.0
191.08521	4.9
199.07503	12.9
201.05455	5.2
201.08939	1.3
202.07820	3.3
203.08551	6.5
204.09367	0.8
205.06400	0.6
207.08064	0.7
218.07285	1.5
219.08031	6.2
220.08795	1.9
221.09569	0.8
230.07285	0.7
231.08031	7.8
232.08850	1.5
233.09596	0.8
235.07501	1.1
236.08325	1.5
237.08876	0.5
245.09508	0.6
247.07396	3.6
248.08382	3.7
249.05324	0.6
249.09111	1.2
251.10640	9.7
258.06741	1.1
259.07535	5.3
260.08380	2.7
261.09167	1.3
263.10611	4.7
264.07843	1.1
265.08444	1.3
276.07843	2.7
277.08594	2.2
279.10132	8.2
280.10880	0.7
291.10101	13.0
292.10818	3.4
293.08182	1.2
293.11749	0.7
295.09976	0.6
295.13290	1.6
308.10309	1.1
311.12732	22.0
312.13251	0.6
323.12732	24.4
324.00000	0.6
325.14288	1.9
341.13739	0.8
503.18857	1.8
503.28568	0.8
503.38013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.7
57.03428	14.5
57.07066	34.7
58.03986	0.7
59.04982	4.4
59.34285	0.8
65.03917	2.4
67.05493	88.6
69.07051	7.6
70.39687	4.0
71.04987	3.3
71.08620	23.3
71.36150	0.7
73.04756	0.9
79.05479	2.7
81.07043	21.0
83.08607	11.5
85.06538	2.7
85.10166	10.9
89.05978	1.8
91.05441	5.3
93.07027	5.4
94.62320	0.8
95.08592	21.7
97.10153	3.7
103.07588	0.8
107.08585	1.5
109.10141	77.9
110.10405	1.0
111.08066	3.0
119.08553	5.8
121.10077	1.1
123.11690	2.2
137.09608	2.9
151.14821	1.1
155.10643	2.6
173.10167	1.1
173.11702	22.4
174.31998	0.9
179.41727	0.7
179.98256	0.8
187.37039	0.8
199.82538	0.8
229.14311	100.0
239.23711	1.9
250.22270	0.8
257.24664	1.0
313.27310	94.1
314.27740	1.6
467.37265	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	503.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.6
57.03425	5.3
61.02921	3.1
61.20676	1.8
69.03402	4.3
70.06578	3.9
71.01333	2.7
71.02080	6.1
73.02873	2.6
76.85030	1.7
84.04472	1.9
84.08118	2.0
85.02885	14.5
91.05811	2.0
94.06611	2.1
97.02882	5.6
98.06062	3.2
98.97568	4.9
103.03918	6.8
108.49738	1.9
111.55038	1.9
114.09180	3.3
116.98579	3.6
120.08094	24.2
121.08423	9.5
122.05943	2.9
127.03906	4.7
129.10205	1.9
131.04944	2.8
137.05981	2.5
140.07053	14.3
147.04425	4.8
158.08110	2.8
166.08650	12.0
167.09021	5.4
171.04443	3.6
175.03860	3.3
175.09599	3.1
175.84497	1.8
177.00696	2.3
181.06439	2.3
187.03914	6.4
187.07477	2.4
188.04672	2.9
189.05464	9.4
191.03337	6.3
199.03963	12.1
201.05458	3.1
202.02554	24.9
203.03368	77.8
204.04024	4.8
205.04907	5.5
212.04645	2.4
213.05414	4.6
215.03377	77.8
216.04131	14.2
217.04956	17.1
219.01695	2.3
221.04424	3.2
225.05473	3.8
227.03378	22.7
227.06972	2.7
228.04237	3.7
229.04951	31.1
230.05602	12.0
231.02852	3.6
231.06499	5.9
233.04433	98.7
237.02963	4.6
237.05363	3.7
241.04987	15.3
243.06587	11.8
244.03645	2.9
245.04436	100.0
253.04904	3.7
255.06413	14.7
257.04434	44.7
259.05975	37.3
263.05441	26.9
265.04926	4.2
269.04446	23.8
271.05981	6.1
273.07693	4.5
275.05341	3.7
281.04395	9.0
282.05139	5.4
283.05951	15.9
285.03848	2.3
287.05463	67.1
293.04367	8.7
295.05905	3.4
297.07428	2.7
299.05472	38.6
307.05945	2.7
311.05478	32.7
311.08917	1.5
317.06509	37.3
323.05139	3.1
325.07138	2.6
329.06497	26.1
330.26355	2.4
335.07724	27.3
341.06302	5.4
341.13336	2.3
347.07639	22.4
353.06348	10.4
365.08701	94.6
371.07571	7.7
383.10013	20.7
389.08685	31.1
395.07306	4.9
401.08499	5.4
407.09644	6.9
413.08539	8.4
419.09723	26.9
431.09738	24.7
437.10919	3.0
449.10651	14.6
467.11746	11.3
485.12775	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	501.357
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
55.01890	0.7
55.05499	8.7
57.03400	0.9
57.07055	2.6
65.03944	1.1
67.05494	14.0
69.03393	0.8
69.07060	13.9
69.75284	5.4
69.75702	1.8
71.08604	1.4
77.03916	0.8
79.05479	11.0
81.07040	29.8
81.91006	0.8
83.04971	1.8
83.08617	8.0
91.05462	12.0
93.07030	27.9
95.04939	3.1
95.08591	52.8
97.10155	3.8
99.04430	1.4
105.07016	34.2
107.08576	49.7
109.06510	2.9
109.10148	24.9
111.08055	1.7
111.11674	1.2
114.12821	1.9
115.05365	1.0
117.06962	3.8
119.08565	48.1
121.06476	2.3
121.10126	49.6
123.08023	2.4
123.11671	6.0
127.07546	0.9
130.07703	1.1
131.06981	1.0
131.08537	12.8
133.06493	1.7
133.10106	47.0
135.08040	4.3
135.11668	38.1
137.09622	1.6
137.13219	2.2
139.07555	1.8
143.08539	4.1
145.06442	0.9
145.10104	28.3
147.08066	1.4
147.11662	33.0
149.09607	2.4
149.13232	35.6
151.07567	1.4
151.11224	0.8
151.14754	0.8
153.09059	4.3
155.08411	0.9
156.09364	1.0
157.10081	5.4
158.10886	7.7
159.08090	1.5
159.11685	21.2
161.09586	2.0
161.13239	15.5
163.11153	4.9
163.14795	35.3
165.09079	1.5
167.10681	2.3
169.08675	1.1
169.10091	1.4
170.10910	1.7
171.11661	7.0
172.12482	1.9
173.13239	70.7
174.13841	1.7
175.11208	2.7
175.14801	41.3
177.09099	2.0
177.12726	2.4
177.16354	35.8
179.10619	1.8
179.14310	0.9
183.10184	1.1
183.11678	2.0
185.13242	8.8
187.14790	49.8
188.15167	1.5
189.12744	1.9
189.16354	50.6
191.10582	2.6
191.14281	18.7
191.17931	12.1
193.15863	5.0
197.13228	1.3
199.14757	5.1
201.12750	4.2
201.16356	14.3
203.14253	3.8
203.17923	100.0
204.18179	1.5
205.12285	1.6
205.15825	4.3
205.19464	5.7
207.13834	1.7
207.17343	2.0
209.13242	0.9
211.14883	0.9
213.16263	4.6
215.14305	2.3
215.17972	3.5
217.15912	3.1
217.19482	3.6
219.13753	13.4
219.17206	1.5
219.21126	1.2
221.15341	1.8
221.19038	2.0
223.13203	1.1
224.95656	0.9
227.17906	1.7
229.15894	2.3
229.19377	1.3
231.13809	1.4
231.17368	4.9
231.20949	1.5
233.15323	38.6
234.15582	1.0
235.16846	7.3
237.14790	13.0
245.15387	3.6
247.16899	12.5
249.14680	1.1
249.18497	12.2
251.16383	70.1
252.16905	1.4
259.17029	2.1
261.18484	2.4
263.16351	2.6
265.17950	6.5
271.24207	1.2
273.18527	1.0
277.17960	3.7
281.78421	0.9
371.30905	1.0
377.31790	4.0
387.30545	1.4
395.33118	9.4
405.31522	9.6
423.32547	30.6
424.32858	1.3
427.33975	2.4
433.30994	3.2
437.34125	5.3
441.33582	15.2
451.32281	5.4
455.35165	75.0
456.35507	1.9
465.33325	0.8
469.33069	2.2
483.34683	3.0
501.35703	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	501.3568
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
51.36769	3.0
53.70575	3.5
55.05494	13.4
57.07052	5.8
61.60407	3.0
67.05499	24.5
69.07053	17.6
79.05473	8.3
81.07042	38.6
83.08591	8.8
90.00446	3.4
91.05457	12.1
93.07032	27.1
95.04939	8.3
95.08591	44.6
96.34888	3.6
99.56303	3.2
105.07024	40.7
107.08569	36.3
109.10141	37.0
111.08003	4.4
113.05977	10.5
114.12799	11.2
117.06937	5.1
119.08555	52.8
121.10120	61.8
123.08031	4.5
123.11671	30.0
125.09576	5.5
129.06903	4.9
131.08553	22.4
133.10115	40.0
135.11667	41.9
137.09607	3.2
137.13246	12.4
139.11140	6.7
143.08488	7.2
145.10133	31.7
147.11642	27.2
149.13216	10.5
153.09041	8.0
157.10130	8.5
159.11613	17.3
161.13217	17.9
163.14777	17.1
165.09178	3.9
167.10728	4.3
171.11655	9.4
173.13245	20.8
175.14803	100.0
175.16324	6.9
177.16342	12.7
178.74706	3.3
179.10602	4.3
185.13304	5.7
187.14795	65.8
189.16356	49.1
191.14243	4.1
199.14793	13.1
201.16373	34.5
203.17960	31.3
207.13754	5.3
209.15245	3.5
213.16301	16.4
215.14108	3.4
215.17935	21.0
229.19521	7.3
235.16853	20.3
241.19524	6.7
243.21092	7.0
247.16881	12.4
249.18448	6.9
255.21027	4.7
257.22650	4.3
259.16852	4.0
261.18527	6.3
289.99243	3.9
298.23846	3.4
313.44095	3.3
344.73355	3.8
377.31909	10.5
379.33493	4.1
380.01141	4.0
387.30292	4.4
395.33197	4.8
405.31396	23.4
423.32544	69.1
437.33957	10.0
441.33643	5.1
465.33545	15.8
474.89133	3.8
483.34564	15.6
501.36081	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3567
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
53.03950	1.2
55.05508	7.6
57.07071	1.9
67.05486	10.6
69.07065	10.2
71.47890	1.7
71.48238	1.9
77.03940	1.3
79.05479	10.8
81.07038	25.4
83.04987	2.7
83.08599	6.3
91.05463	9.3
93.07021	24.5
95.04935	1.7
95.08591	51.5
97.10156	4.4
103.05395	1.3
105.07015	30.8
107.08576	48.2
109.06538	1.7
109.10140	24.9
117.06991	3.4
119.08562	44.5
121.06491	1.6
121.10125	42.4
123.08065	3.3
123.11678	7.4
131.08543	13.4
133.10104	40.0
135.08064	3.2
135.11665	37.0
137.09660	1.8
137.13184	2.0
139.07545	1.6
143.08560	4.8
144.09334	1.7
145.10101	24.1
147.08072	2.0
147.11662	30.1
149.09628	3.3
149.13239	34.3
151.11166	1.5
153.09097	4.6
157.10143	4.7
158.10895	5.0
159.08131	1.4
159.11678	19.1
160.12491	1.6
161.09584	1.5
161.13254	16.2
163.11205	3.6
163.14790	30.7
165.09106	2.6
167.10669	2.2
169.08632	1.3
170.10855	1.5
171.11708	5.1
172.12450	2.4
173.13232	65.7
174.13853	1.7
175.11314	1.5
175.14796	42.1
177.09134	2.9
177.12743	1.6
177.16353	36.7
179.10667	1.5
183.11678	2.1
185.13240	7.8
187.14795	48.8
189.12770	1.5
189.16347	46.8
189.18002	2.4
191.10712	3.5
191.14264	21.9
191.17944	10.5
193.15883	4.2
199.14822	3.3
201.12712	4.9
201.16348	14.0
203.14526	3.5
203.17918	97.1
204.18300	1.5
205.12173	1.7
205.15794	5.9
205.19516	4.7
207.17455	2.7
213.16441	4.4
215.14334	3.5
215.17975	4.5
217.15952	3.3
217.19525	3.0
219.13823	12.1
221.19019	2.7
223.13167	1.6
229.15802	2.4
231.13870	1.8
231.17421	4.1
233.15320	45.6
235.16893	7.8
237.14777	16.6
241.19572	2.0
245.15439	4.0
247.16931	12.4
249.18439	15.0
251.16377	85.8
252.17015	1.5
259.16895	2.6
261.18430	1.9
263.16495	2.2
265.17911	8.1
277.17975	3.4
297.62259	1.3
360.68146	1.3
377.32059	5.4
395.33112	11.2
405.31467	11.1
423.32495	38.1
424.33032	1.5
433.30847	3.3
437.34097	6.2
441.33606	19.6
451.32059	5.2
455.35162	100.0
456.35385	2.3
465.33557	1.5
469.33014	2.5
483.34811	2.4
501.35754	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	501.3568
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
52.04094	2.5
55.05496	9.5
57.03419	2.4
57.07067	7.3
67.05483	9.5
69.07049	13.7
69.85164	3.8
69.85565	14.9
71.04996	3.9
79.05468	12.9
81.07039	36.1
83.08598	11.7
91.05450	13.5
93.07028	30.1
95.04966	2.5
95.08588	43.8
97.10172	4.0
98.20687	4.1
103.72821	2.2
105.07015	40.8
107.08569	47.5
109.06519	2.9
109.10144	27.7
114.12801	11.0
117.07001	3.9
119.08563	59.3
121.10122	78.4
123.08042	6.6
123.11703	16.3
125.09602	3.2
129.06996	2.6
131.08542	33.9
133.10101	45.4
135.11665	29.4
137.09589	3.7
137.13257	11.9
143.08539	8.5
145.10091	35.1
147.11681	23.3
149.09557	4.0
149.13258	11.3
151.14677	2.9
153.09076	3.9
155.08498	3.1
157.10089	11.0
159.11662	25.2
161.09607	3.3
161.13229	16.7
163.14790	10.8
165.09088	6.0
165.12744	2.6
167.10696	3.4
169.10071	4.0
171.11636	11.9
173.13223	23.0
175.14804	100.0
177.09076	2.6
177.16325	7.7
181.15977	2.3
185.13191	12.4
187.14786	88.2
189.16357	42.8
191.14262	4.5
193.12201	2.9
193.15860	4.1
197.13194	4.1
198.91197	2.4
199.14738	11.4
201.16362	61.2
203.14302	3.2
203.17950	22.0
211.14801	4.5
213.16338	17.1
215.14320	3.9
215.17892	14.6
219.13803	2.5
223.16891	4.7
225.16331	5.2
227.17830	3.0
229.19603	4.9
231.17374	3.9
233.15378	5.7
235.16824	19.1
239.17821	5.8
241.19444	5.4
247.16898	11.4
249.18515	7.3
255.21056	4.7
261.18491	6.3
263.20184	3.5
267.21054	2.8
275.20209	2.8
281.22556	2.5
283.26331	3.9
284.26578	5.8
287.20093	3.0
309.25790	13.9
323.27249	4.6
331.72324	2.2
363.30606	3.6
367.25882	2.2
369.27762	7.0
373.40054	2.4
377.32120	2.5
381.31506	25.8
383.29330	7.0
387.30521	3.7
405.31525	21.8
409.30957	4.6
423.32547	71.7
437.34146	6.0
441.33585	43.7
447.31973	2.5
451.31863	3.8
465.33545	11.0
483.34769	22.6
501.35812	13.8
501.47168	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	501.3568
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
52.06629	0.6
55.05502	7.4
55.15420	0.6
55.87300	0.6
57.03422	1.7
57.07053	2.2
58.85730	0.6
67.05495	9.5
69.03434	0.7
69.07057	13.3
71.24062	1.6
73.21999	0.5
77.03889	0.8
79.05475	7.9
81.07044	24.4
83.04955	1.4
83.08616	6.0
86.91380	0.6
90.41948	0.6
91.05457	10.4
93.07029	21.6
95.04956	1.4
95.08593	55.5
97.06519	1.3
97.10136	2.8
103.05456	0.8
105.07014	35.4
105.23643	0.6
107.08577	45.6
109.06490	1.8
109.10142	26.5
111.08060	1.9
117.06981	2.5
118.81721	0.6
119.08564	81.4
120.08868	1.0
121.06516	1.6
121.10129	47.9
123.08066	3.9
123.11684	7.9
125.09628	1.1
129.06955	1.2
131.08540	9.4
133.10107	61.6
134.10402	0.9
135.08040	2.3
135.11673	27.3
137.09576	2.1
137.13248	2.1
139.07524	1.6
143.08537	3.4
144.09393	1.1
145.06410	1.0
145.10110	18.2
146.10823	0.8
147.08044	1.1
147.11662	35.3
149.09602	2.7
149.13234	25.3
153.09129	1.3
155.08566	0.7
156.09296	0.8
156.71214	0.7
157.10107	5.4
158.10883	1.8
159.08041	1.2
159.11662	14.9
160.12433	0.9
161.09618	1.9
161.13234	20.7
163.07570	1.5
163.11156	3.0
163.14798	27.6
165.09094	1.8
165.12727	1.2
169.10107	1.8
170.10864	1.3
171.11691	3.9
172.12341	0.9
173.09573	1.5
173.13235	23.5
174.13956	2.3
175.11198	2.2
175.14795	65.7
176.15254	0.9
177.09055	2.1
177.12695	1.7
177.16356	23.6
181.12170	0.7
183.11665	2.0
185.13242	5.4
187.14792	34.6
188.15149	0.9
189.12759	2.8
189.16356	91.9
190.16692	1.9
191.10612	1.4
191.14284	21.6
191.17888	7.2
193.15846	40.0
195.11728	0.8
197.13243	1.1
199.14763	3.5
201.12657	1.7
201.16365	15.1
203.14281	4.7
203.17926	100.0
204.18263	2.3
205.12280	3.1
205.15932	3.1
205.19440	1.5
205.28409	0.6
211.14790	2.4
213.16325	7.9
215.14328	2.0
215.17888	5.1
217.12236	0.9
217.15909	2.3
217.19429	2.9
219.13770	20.8
221.15309	11.2
225.16422	0.8
227.17870	1.8
229.15874	4.6
229.19461	2.0
231.13870	1.1
231.17409	9.9
231.21001	1.6
233.15396	7.2
233.18961	1.3
235.16896	1.1
237.12373	1.4
237.14807	29.3
241.19449	1.5
243.17287	1.2
245.15355	1.6
247.16895	2.0
249.18533	4.2
251.16248	4.1
253.19528	1.1
255.21127	0.7
257.18915	1.0
259.16867	0.8
261.18472	4.4
263.16284	1.0
263.20087	7.1
271.16669	0.8
271.24225	1.2
273.18448	1.9
275.19879	0.7
289.18100	2.0
293.22577	0.8
315.23212	1.2
327.23203	1.1
331.24026	0.8
333.25748	0.7
377.31863	3.2
381.23373	0.7
381.27896	2.0
387.30383	8.2
395.33063	21.1
397.34637	2.3
405.31485	24.0
423.32510	28.2
433.31061	2.8
437.34116	7.3
441.33606	65.3
442.34067	1.3
447.32513	17.6
448.33456	0.7
451.32065	12.4
455.35098	3.6
465.33591	30.0
469.32700	1.1
483.34616	16.8
501.35703	83.5
502.36438	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	501.3428
Annotation	Adouetine X
Peak:m/z	Relative Intensity
55.08511	0.1
56.05018	0.4
56.58471	0.1
57.05807	0.7
57.06046	0.1
58.06590	4.9
59.05479	0.1
59.58628	0.1
60.39248	0.1
68.78319	0.1
69.07054	0.3
69.25437	0.1
69.52660	0.7
69.53075	0.5
70.06588	0.2
71.07359	0.6
71.07700	0.1
72.08144	9.8
84.08121	0.1
85.08887	0.2
86.09708	0.6
87.88987	0.1
107.04491	0.1
114.12788	100.0
115.13117	0.6
121.93577	0.1
202.12323	0.1
253.19073	1.3
277.72473	0.1
280.12277	0.1
366.27484	1.0
376.78864	0.1
388.26031	0.6
456.28458	0.3
473.34845	0.2
481.43259	0.1
501.34283	5.8
502.34067	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	501.3204
Annotation	Poricoic acid E
Peak:m/z	Relative Intensity
51.60093	3.9
53.65955	3.0
55.05504	12.8
57.07061	9.3
57.21654	3.4
67.05495	16.2
69.03439	5.1
69.07047	12.6
70.19827	17.9
75.33791	3.3
79.05473	18.1
81.03409	4.9
81.07049	40.8
83.04974	16.9
83.08604	13.7
85.02905	10.1
91.05485	19.9
92.43385	3.3
93.07027	29.8
95.04971	7.9
95.08591	47.1
97.06516	4.8
99.04434	3.4
99.08098	10.9
105.07029	53.2
107.04920	3.9
107.08584	40.4
109.06508	7.3
109.10152	22.5
111.04427	16.2
114.12835	7.5
117.06993	12.2
119.08565	54.7
121.06505	7.1
121.10126	45.4
123.08100	4.5
123.11690	15.1
125.06015	4.0
128.06192	4.0
129.06987	9.3
131.04922	4.5
131.08551	34.9
133.06509	4.4
133.10106	45.1
135.08038	8.7
135.11662	31.4
137.13213	11.6
141.07074	4.2
143.08560	18.2
145.02800	9.7
145.10100	41.1
147.08049	19.3
147.11679	25.4
149.06001	19.5
149.09575	6.6
149.13248	13.4
149.81190	3.4
150.76572	3.7
151.11201	4.4
153.09027	3.5
155.08539	6.1
157.10115	17.7
159.11656	29.9
161.09613	6.6
161.13235	17.5
163.11208	5.2
163.14809	8.0
169.10147	11.3
170.10907	7.8
171.11681	23.9
173.09715	5.8
173.13246	43.1
175.07635	3.6
175.11224	4.7
175.14838	34.0
177.05426	20.5
181.10178	5.2
181.95009	4.2
183.11708	10.8
185.13252	26.6
187.14786	31.9
189.12741	6.9
189.16426	9.0
191.14317	7.7
195.11754	5.4
197.13243	9.0
199.14767	26.1
201.12772	10.5
201.16348	22.0
203.14330	11.2
205.12273	4.3
209.13277	6.5
211.14806	15.8
212.02197	3.7
213.16354	14.7
215.17886	20.8
216.17799	4.8
217.15910	6.2
219.13756	31.3
221.15347	10.4
223.14665	4.3
225.16356	10.5
227.14215	9.3
227.17847	7.3
229.15825	4.6
229.94676	3.6
235.14816	5.4
237.14594	19.0
239.17888	11.8
239.20546	3.7
245.15344	7.7
247.16951	7.1
248.34554	4.5
251.17984	5.7
259.16888	7.0
261.18484	11.3
265.19397	6.9
273.18518	5.1
279.21085	9.7
293.22607	4.8
307.24277	4.0
311.19623	3.8
325.21671	7.5
327.23172	4.5
339.23401	7.4
349.28815	8.5
365.24747	11.0
371.22083	5.2
377.28290	8.9
378.86670	4.0
385.23868	9.2
391.30115	6.7
395.29474	26.5
397.31064	11.9
401.28513	10.5
403.24814	11.7
405.27924	7.9
409.31088	18.7
413.30093	7.9
419.29309	22.3
423.28976	6.4
437.30469	53.0
439.32227	7.9
441.29865	37.6
447.28836	6.2
451.28299	9.8
455.31540	100.0
457.32892	4.0
465.29941	15.7
469.29663	4.6
483.31064	38.3
501.32114	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	501.3207
Annotation	Poricoic acid E
Peak:m/z	Relative Intensity
55.05499	15.3
58.70732	3.2
59.04987	5.3
60.93035	3.8
67.05491	24.4
69.07054	17.8
69.70126	32.0
72.08139	4.7
79.05470	28.2
81.07037	43.5
83.04962	8.7
83.08635	9.3
91.05473	41.1
93.07026	59.6
95.04958	16.0
95.08591	50.0
97.06501	7.2
105.07015	65.3
107.08568	79.6
109.10126	32.5
111.08015	4.3
114.12778	5.6
117.06978	20.9
119.08562	100.0
121.06470	10.6
121.10123	78.7
123.08038	11.4
123.11696	16.4
125.09540	4.6
129.06990	15.6
131.08533	49.9
133.06439	19.5
133.10104	75.2
135.08031	15.1
135.11667	45.6
137.09592	13.4
137.13284	8.0
141.06999	8.0
142.07753	6.6
143.08542	37.8
144.09267	5.0
145.10104	68.2
147.08061	12.2
147.11664	56.4
149.09587	9.8
149.13240	24.3
153.09187	5.3
155.07042	3.6
155.08511	10.2
156.09314	9.4
157.10098	32.5
158.10913	6.0
159.11684	72.9
161.09608	14.5
161.13235	32.8
163.11171	12.6
163.14806	8.1
165.09155	6.9
165.12761	5.6
169.10011	26.7
171.11652	48.1
173.09633	5.9
173.13231	89.4
175.11143	13.4
175.14778	42.2
177.09068	4.4
177.12758	14.0
177.16530	4.6
179.08720	5.2
179.10672	13.4
181.10098	9.1
182.00136	4.2
183.11693	27.2
185.09653	5.3
185.13255	48.4
187.11194	9.7
187.14804	42.3
189.12720	25.6
189.16414	12.5
191.10609	5.2
191.14258	9.5
193.10176	4.4
195.11655	11.5
196.12439	4.1
197.13226	23.6
199.14812	27.4
201.12801	6.6
201.16365	33.9
203.14278	52.7
205.12299	7.1
205.15848	21.8
206.10890	4.7
207.11676	5.8
209.13257	12.9
210.13995	8.1
211.14722	20.6
213.12772	4.7
213.16351	12.9
215.14317	8.7
215.17831	5.2
217.12166	8.5
217.15845	11.8
219.13821	9.5
219.17444	5.0
221.13243	10.0
221.15263	10.1
223.14796	11.8
225.16479	19.8
225.18369	4.1
227.14278	7.7
227.17856	8.6
229.15919	6.1
231.13771	9.6
233.15340	12.6
235.14972	6.4
237.16379	13.5
239.17874	20.8
241.15968	6.1
241.19446	12.1
243.17244	4.9
245.15324	8.1
249.14772	43.1
251.18181	7.0
253.19466	44.4
255.17393	6.0
257.19055	4.1
271.16946	7.2
273.18546	6.6
279.20999	4.4
283.16953	6.8
285.18451	10.3
293.22632	4.5
297.18649	5.9
299.20111	13.2
307.24365	4.7
315.19586	10.8
359.27280	17.4
367.30023	4.5
377.28354	38.8
379.29974	10.1
387.26651	22.4
395.29443	29.5
395.95648	4.2
397.30847	14.8
405.27850	76.1
419.29382	29.5
423.23209	5.1
423.28873	91.8
433.27499	19.3
437.30475	96.6
439.31979	9.8
441.30026	36.5
451.28293	24.4
455.31500	40.5
465.29926	28.0
469.29196	10.9
483.30847	25.4
501.31848	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3204
Annotation	Poricoic acid E
Peak:m/z	Relative Intensity
50.67247	3.7
55.05489	15.2
56.83012	3.9
57.07058	4.8
67.05496	39.3
69.03416	5.0
69.07055	22.3
70.30978	8.2
70.31342	17.1
71.04977	9.0
79.05473	21.6
81.07043	63.0
83.05000	6.8
83.08595	15.7
83.49519	4.1
91.05466	31.5
93.07034	56.4
95.04948	6.3
95.08593	60.1
97.06504	9.9
97.10117	4.9
97.55609	4.2
99.08092	5.1
100.72134	3.8
105.07010	62.4
107.08575	80.0
109.06516	6.2
109.10139	41.7
111.08048	5.7
114.12812	7.2
117.07005	15.2
117.89558	3.9
119.08567	92.2
121.06481	5.1
121.10135	65.2
123.08052	17.1
123.11689	17.4
128.06201	5.4
129.06975	13.4
130.07684	4.7
131.08536	44.3
133.06465	15.8
133.10101	66.5
135.11676	45.9
137.09596	15.7
137.13293	11.7
141.06923	6.1
142.07761	6.3
143.08528	32.2
144.09361	4.5
145.02898	5.1
145.10092	67.1
147.07964	11.0
147.11670	46.3
149.06052	4.3
149.09605	8.8
149.13245	27.9
151.14796	9.8
155.08536	14.6
157.10106	42.5
158.10843	7.6
159.07942	5.3
159.11667	49.9
161.09595	12.9
161.13263	42.3
163.11102	8.1
163.14787	37.3
165.92612	3.5
168.80400	4.3
169.10045	22.1
170.10933	6.4
171.11671	40.4
173.13239	49.7
175.11150	5.7
175.14818	35.0
177.05453	8.7
177.12761	5.1
177.16359	6.5
181.10085	10.9
183.11641	20.4
185.13219	49.0
185.60016	3.9
186.59666	4.5
187.11224	9.2
187.14803	65.1
189.08939	4.7
189.12718	13.0
189.16339	15.1
191.14287	14.8
191.17947	5.2
195.11627	9.2
196.09839	3.9
197.13216	16.7
199.14763	29.2
201.16370	55.7
203.14299	24.7
205.15869	12.9
207.11688	4.1
209.13196	6.7
211.14864	20.0
213.16290	32.1
215.17967	28.9
217.15881	8.1
219.13821	12.1
221.13356	5.5
223.14754	13.9
225.16360	17.2
227.17923	18.7
229.15947	5.5
231.13745	7.1
233.15419	5.8
235.14815	5.0
237.16464	10.8
239.17920	12.3
241.15836	4.9
241.19505	9.7
243.17268	5.0
245.15533	8.4
249.14650	39.8
251.17989	8.6
253.19516	16.3
255.21078	5.1
259.16949	11.8
261.18539	20.4
265.19473	9.2
267.21063	7.3
273.18378	7.6
279.21130	10.1
289.19427	5.7
293.22556	5.5
307.24167	6.8
325.21704	14.2
339.23065	6.3
341.24713	8.3
349.28690	12.7
353.24683	6.4
359.27295	8.2
371.22076	11.3
373.28784	5.0
377.28256	11.6
385.23636	14.3
391.30035	11.5
395.29416	36.4
397.31000	15.6
401.28455	4.3
405.27689	28.1
407.29074	4.8
409.31052	29.3
411.32813	7.2
413.30487	6.0
419.29385	33.3
423.28815	52.4
423.35788	8.5
427.32095	11.5
437.30637	43.5
441.29971	100.0
447.28937	14.8
451.28445	27.2
455.31549	80.7
465.29767	23.1
469.29291	18.7
483.31134	44.3
501.32117	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	501.3204
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05497	21.9
67.05497	42.4
69.07046	17.6
79.05494	34.4
81.07040	64.2
81.48573	7.3
83.08609	29.2
85.06558	10.5
91.05464	44.5
93.07049	50.5
95.04967	17.0
95.08599	79.0
105.07005	61.6
107.08572	84.6
109.10130	61.8
111.08031	8.3
113.06004	12.3
117.07021	16.6
119.08556	89.0
121.06423	7.1
121.10119	100.0
123.08055	12.1
123.11696	22.7
127.88539	6.6
129.07030	21.7
131.08565	48.8
133.10103	72.2
135.11664	56.6
143.08540	37.5
145.10121	66.6
147.08057	13.3
147.11691	38.3
149.09642	16.8
149.13251	18.8
155.08505	10.4
156.09380	11.8
157.10097	47.4
159.11684	60.4
161.09662	8.0
161.13220	41.2
163.14799	23.8
165.09009	7.0
169.10120	25.0
171.11700	42.8
173.13223	63.1
175.11230	9.3
175.14821	67.6
183.11681	19.8
185.13223	40.9
187.14809	38.6
189.16386	27.3
191.14252	20.0
193.12312	9.7
195.11549	8.3
197.13266	29.0
199.14784	51.4
201.16443	26.1
203.14264	14.3
209.13301	10.4
211.14830	13.3
213.16347	18.1
215.14346	10.8
215.17799	37.3
216.92918	8.9
217.15900	19.1
219.13881	8.5
221.15344	18.1
223.14801	9.1
225.16455	11.8
227.17937	23.6
237.16393	9.5
239.18204	10.9
241.19551	16.1
243.13885	7.3
245.15349	25.8
247.16945	9.8
253.19386	10.2
257.15530	7.2
259.16940	8.7
261.18542	15.9
267.21094	10.0
273.18311	10.2
295.23975	9.4
299.20197	7.0
363.30478	13.4
373.28946	15.5
391.29822	22.8
393.31296	16.2
401.28418	14.2
409.30933	82.4
419.29462	85.1
421.30826	11.3
423.29297	8.3
437.30472	92.0
439.31619	8.7
447.28842	19.9
455.31445	51.7
465.29965	63.3
483.30960	58.0
501.32465	44.4
506.05118	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	501.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07337	0.1
50.36995	0.1
53.03921	0.2
56.05017	0.5
57.05803	1.0
58.06590	5.7
62.49967	0.1
69.03401	0.3
69.07048	0.3
70.00035	0.7
70.06573	0.6
71.07352	1.0
72.08144	10.9
79.05470	0.1
81.03391	0.2
81.07045	0.4
82.01569	0.1
84.08106	0.2
85.02898	0.3
85.08915	0.2
85.33994	0.1
86.09686	0.3
89.03918	0.2
91.05450	0.3
93.07022	0.5
95.04997	0.2
95.08588	0.3
97.06499	0.2
107.04935	0.2
107.08557	0.3
109.02869	0.2
109.10124	0.2
114.12787	100.0
115.13137	1.3
117.03395	0.3
117.07037	0.2
119.08555	0.3
121.10130	0.1
127.03936	0.2
131.08607	0.2
133.10130	0.1
137.05928	0.3
145.02835	0.6
145.10139	0.2
147.04366	0.5
149.06004	0.1
158.11768	0.3
161.06088	0.1
162.05458	1.1
163.03882	0.4
171.11624	0.1
177.05449	1.0
199.07518	0.1
201.09224	0.1
215.10501	0.1
297.11160	0.2
385.00497	0.1
405.60178	0.1
483.30887	0.3
501.18185	0.5
501.30661	6.8
502.31168	0.2
520.47009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3203
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.01860	2.1
55.05501	6.8
57.07060	2.7
65.03935	2.4
66.96809	2.0
67.05493	11.9
69.03411	6.1
69.07060	6.8
71.04996	2.1
71.08187	6.7
71.08557	2.0
79.05475	15.6
81.03394	7.0
81.07056	23.5
83.04968	5.9
83.08607	5.1
85.02908	3.8
85.06549	2.4
89.03886	6.2
91.05457	17.1
93.07035	26.9
95.04938	5.4
95.08596	36.9
97.06520	5.9
97.10146	2.7
99.08090	2.7
105.07010	25.7
107.08575	37.4
109.06525	4.2
109.10141	21.6
111.04430	2.8
114.12831	3.3
117.03356	16.2
117.07001	6.2
119.08564	44.0
120.23495	1.8
121.10133	37.0
122.36610	2.2
123.08105	1.9
123.11662	6.8
125.05999	1.9
125.09554	2.4
129.06973	4.9
131.08546	23.2
133.10106	36.3
135.08073	2.5
135.11665	36.9
137.05956	2.6
137.09598	2.1
137.13248	4.3
139.07547	4.0
142.07790	2.3
143.08530	11.9
145.02820	45.4
145.10112	51.1
146.03134	3.0
147.08073	5.0
147.11652	25.4
149.05968	6.3
149.09613	5.6
149.13251	11.1
153.09120	3.8
155.08549	2.5
157.10098	12.7
158.10817	2.2
159.11685	34.6
161.09628	5.2
161.13237	25.1
163.11159	3.2
163.14775	9.4
165.09111	4.0
169.10153	7.1
171.11668	17.6
172.12378	2.1
173.09731	2.5
173.13245	31.4
175.11198	2.8
175.14775	12.3
177.05441	100.0
177.12698	2.4
177.16386	6.4
178.05814	5.4
179.10713	2.4
181.10054	2.2
181.12251	4.1
183.11713	6.6
185.13231	15.5
187.11313	2.3
187.14793	56.1
189.12733	3.2
189.16391	9.6
191.14328	3.2
195.13939	2.5
197.13222	5.8
199.14780	12.1
201.12746	2.3
201.16333	19.0
203.14330	4.0
205.15837	3.8
207.13785	6.1
209.13370	4.2
211.14859	4.3
213.16437	7.9
215.14307	3.8
215.17874	3.2
219.13750	3.8
219.17468	2.2
221.13318	2.5
221.15291	2.4
223.14844	4.4
225.16316	5.7
227.14363	2.5
227.17982	5.9
229.19556	3.2
231.13942	2.5
231.17393	2.5
233.15385	6.0
235.16983	3.8
239.17894	3.7
241.19489	3.2
245.15508	3.0
247.16959	5.8
253.19485	3.1
255.17299	2.4
259.16934	3.0
273.18576	2.6
276.73019	2.1
279.21094	2.5
293.17432	2.1
321.09717	3.9
333.25845	2.0
339.10867	5.6
353.24643	2.9
377.28464	2.3
379.26389	5.5
391.29907	7.1
395.29523	9.7
409.30994	14.7
419.29330	17.5
423.28802	3.5
437.30392	31.9
441.30310	4.0
447.28641	4.1
455.31543	35.6
465.30045	16.8
483.31244	15.9
496.83893	2.2
501.32108	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	501.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70309	1.0
54.94318	1.3
55.01857	1.0
56.96555	4.3
61.01752	1.2
61.02923	2.6
67.05499	1.9
69.03430	8.4
69.94148	3.0
69.94559	4.8
70.06247	1.1
70.06580	6.9
71.04998	2.2
72.08165	1.6
73.02900	1.8
75.81118	1.1
78.85376	1.1
79.05484	1.4
81.03419	4.2
84.08132	1.5
84.96066	1.4
85.02898	14.2
94.06575	1.9
96.08131	1.2
97.02888	5.8
98.97589	4.7
99.04445	2.6
105.07032	4.4
108.08074	1.1
109.02879	2.0
111.04449	1.8
114.09157	3.0
116.98604	4.2
120.08096	3.3
123.04401	1.6
124.03937	2.2
127.03926	4.6
128.98573	1.6
131.03799	1.1
133.06479	4.1
134.99670	4.4
135.04398	1.5
136.07582	2.7
137.05954	10.3
138.06314	2.1
145.04985	2.1
146.08372	2.3
147.04436	2.8
147.09154	2.5
148.07556	2.8
161.05980	9.0
163.03893	3.4
164.84769	1.3
167.07060	2.0
174.07890	9.2
175.08690	5.0
177.00737	1.7
177.05438	1.4
181.08875	2.2
182.09865	1.4
186.09099	1.3
189.10243	1.4
193.08617	3.8
196.09947	6.5
197.10764	2.7
204.08914	5.1
206.08327	13.6
210.11621	1.3
211.12326	6.7
213.10201	2.8
215.02090	1.3
215.11943	1.2
217.09741	7.7
219.01709	1.1
220.09836	2.1
221.10651	5.9
222.01949	2.6
223.08705	3.5
224.09456	5.9
227.08244	2.8
227.11790	1.8
228.12495	1.6
237.02710	2.3
238.11020	4.5
239.11761	19.8
240.02989	1.5
241.09807	3.0
243.11322	1.5
252.03020	2.3
257.12823	8.8
263.02240	1.2
267.11276	46.6
271.10706	1.8
272.11624	12.5
273.12329	2.2
275.13797	6.5
277.03729	1.4
281.03357	1.8
285.12308	44.9
286.09128	1.8
290.12543	7.7
291.05453	1.2
293.14557	1.3
294.03903	1.3
298.28879	1.3
303.13364	89.1
307.04776	2.0
309.06299	2.4
321.14426	100.0
325.05936	3.7
327.07535	2.2
337.05911	2.0
339.15491	3.2
349.05759	4.0
351.07898	1.4
355.06827	2.4
361.06165	2.3
367.06842	6.0
379.06906	1.9
381.04825	3.2
391.07034	4.0
399.06204	2.1
409.07867	2.6
465.19266	1.5
483.19833	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	500.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	10.2
67.05490	17.7
68.05023	9.2
68.50397	7.1
69.07063	38.8
70.06569	10.6
71.79936	12.4
71.80360	12.1
79.05473	20.0
80.04976	7.2
81.07052	54.5
84.08147	15.5
84.16270	7.6
91.05459	29.7
93.06516	8.4
93.07027	63.4
95.08614	32.9
96.08115	8.0
105.07010	30.4
107.08562	41.6
108.08112	16.8
109.10135	25.7
119.08560	16.9
121.10144	21.3
126.54642	7.5
133.10135	18.7
135.11632	14.3
147.11694	19.2
149.13318	12.2
150.12740	26.1
151.18617	10.0
159.11612	13.7
176.44405	8.1
214.37955	8.4
283.26276	13.1
358.55347	8.4
400.31512	10.9
419.34540	9.4
464.38727	36.2
482.39923	100.0
500.40512	12.5
500.46674	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	500.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85123	1.4
55.05505	27.3
57.03429	12.4
57.06869	1.0
57.07069	10.1
59.04985	2.6
65.03915	2.1
67.05495	76.9
69.07057	23.2
71.04974	1.8
71.08619	6.1
71.79762	2.2
79.05469	3.8
81.07045	17.5
83.08609	24.1
85.06540	3.3
85.10138	2.2
91.05455	8.9
93.07024	6.1
95.08595	9.7
97.06512	1.9
97.10160	15.2
105.07003	3.5
107.08578	5.4
109.10143	78.8
111.08066	4.9
111.11710	4.9
114.27508	1.2
119.08537	6.6
121.10130	3.9
123.11674	1.5
125.13203	1.2
135.11661	2.0
137.09581	2.9
149.13420	1.2
155.10681	5.9
164.33673	1.1
166.05856	1.2
173.11710	22.1
182.56856	1.1
229.14322	100.0
235.42303	1.3
283.26358	2.4
311.25757	74.7
311.69821	1.2
354.92041	1.4
453.22958	1.3
464.38467	2.0
465.35696	68.8
500.46896	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	500.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69830	1.4
53.03917	1.6
55.05500	6.6
57.07036	2.1
59.39141	1.4
61.62702	1.5
62.03238	1.4
66.28063	1.4
67.05495	7.4
69.07063	8.1
70.02884	7.5
79.05447	8.3
81.07048	15.0
83.08598	5.8
91.05460	10.6
93.07030	22.0
95.04945	3.1
95.08594	24.8
97.06488	1.9
105.07013	18.2
107.07902	2.5
107.08578	33.4
109.06446	1.7
109.10157	16.0
117.06998	4.9
119.08572	26.8
121.10126	53.0
123.07990	2.0
123.11673	12.6
129.06989	5.8
131.08510	12.3
132.08913	1.7
133.06563	2.3
133.10110	23.2
135.11661	18.5
137.09622	1.8
139.11200	2.8
141.07002	2.3
143.08536	7.8
145.10092	16.0
147.03218	1.6
147.08028	6.7
147.11682	13.9
149.09558	1.8
149.13235	10.0
151.07358	1.4
153.09041	3.4
155.08553	2.1
156.09254	1.6
157.10092	8.9
159.11647	13.8
161.09604	1.8
161.13225	15.8
163.11327	1.5
163.14771	11.2
165.12791	1.5
167.14110	1.4
169.10123	6.3
171.11627	11.0
173.13248	15.2
175.14796	24.2
177.16357	12.3
179.10681	2.1
179.69322	1.5
181.10034	3.3
183.11679	5.5
185.13264	8.5
187.14803	22.5
188.15132	6.4
189.12672	1.9
189.16380	12.1
191.14281	4.1
193.15930	2.5
195.11639	3.0
197.13220	5.4
199.14799	18.8
201.16330	16.5
203.17941	4.1
211.14870	4.6
213.16380	9.1
215.14359	2.6
215.17892	6.6
217.15872	6.9
217.19435	1.7
219.13712	7.7
221.15321	3.2
223.14787	2.4
225.16402	3.0
227.14258	1.9
227.17896	7.3
229.19464	3.3
233.15314	3.0
236.15118	2.3
237.16557	2.5
239.17973	5.1
241.19493	6.0
245.15344	5.7
247.16893	4.3
251.17989	5.0
253.19507	5.8
255.21004	2.5
259.16953	4.0
261.14694	1.5
265.19577	2.9
267.21057	5.2
269.22687	3.5
271.16901	2.0
273.18427	3.7
285.18561	2.9
287.20111	2.4
299.20053	5.3
311.20047	2.8
313.21576	6.0
325.52521	1.6
365.32101	1.9
373.24118	2.1
373.28635	3.7
375.30426	12.2
391.29938	6.7
393.31500	5.8
394.21176	1.7
401.28226	4.0
403.29990	2.1
404.30212	2.3
409.30933	22.1
410.31186	2.0
411.32568	3.7
419.29437	29.6
420.29904	2.0
421.30899	12.7
422.31586	3.4
437.30457	18.7
439.32053	6.8
440.32278	3.1
447.28809	8.8
455.31598	2.1
465.29990	19.3
483.30893	6.4
500.33572	100.0
501.34189	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	500.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39331	0.9
53.03923	1.7
54.80585	0.8
55.05497	5.3
57.03406	1.1
57.07060	1.8
58.06571	1.9
61.02901	1.8
61.84555	0.7
65.03897	0.7
67.05490	6.2
69.03415	4.3
69.07054	11.1
70.06567	1.4
71.79896	1.4
72.08121	2.0
73.02898	0.8
79.05457	4.1
81.03391	2.5
81.07037	6.5
83.04952	2.6
83.08591	3.2
85.02890	11.9
85.06519	1.0
86.09690	0.9
91.05465	4.3
93.07026	9.9
95.04948	1.3
95.08588	19.5
97.02889	3.7
97.06512	6.6
99.04423	1.8
101.06003	1.0
105.07008	9.6
107.08572	19.6
109.02863	1.1
109.06500	2.3
109.10140	8.8
111.08042	1.7
113.06026	0.8
114.12017	1.5
114.12785	22.0
117.06993	1.6
119.08556	15.6
121.06448	1.5
121.10120	9.0
123.08010	1.6
123.11674	4.5
125.09622	1.0
127.03873	2.7
127.07545	1.6
129.06975	1.2
131.08557	3.2
133.06468	4.0
133.10094	16.4
135.04314	0.8
135.08017	7.9
135.11676	9.5
137.05975	1.4
137.09557	4.9
139.11142	1.1
142.07724	0.9
143.06981	1.5
143.08539	4.6
145.02863	1.4
145.04967	1.6
145.10086	4.1
147.08026	11.2
147.11653	12.6
148.08794	62.5
149.09554	2.4
149.13272	3.8
151.11143	1.9
155.08551	0.9
155.10632	2.8
157.10065	3.6
159.11681	3.3
159.89919	0.8
161.02403	1.3
161.09570	12.0
161.13242	2.1
163.03856	1.9
163.07709	0.9
163.11137	2.0
165.12683	1.7
169.09999	0.9
170.10843	5.3
171.11687	3.6
173.02280	1.8
173.13261	2.0
175.11183	2.7
175.14796	24.8
177.05487	3.5
177.12703	4.0
181.12213	1.8
183.10194	4.9
185.13220	39.4
186.13998	6.1
187.14767	2.7
189.12686	3.3
195.13817	5.6
201.12726	0.9
203.14279	48.0
204.15073	8.5
215.07013	2.8
217.15805	9.2
223.13252	3.4
235.13159	1.5
247.13257	100.0
248.13669	1.6
257.18933	3.6
259.09561	9.3
261.14694	0.8
265.14410	4.5
267.17334	1.4
275.19974	9.9
285.18436	7.2
303.19501	44.1
304.19443	0.9
321.20535	40.7
375.14438	1.2
421.14822	0.8
500.28464	3.3
500.33923	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	500.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36120	0.3
64.86244	0.3
71.17831	0.7
79.05475	0.5
81.05769	0.9
83.04944	0.4
84.08134	0.5
94.06557	0.5
96.08113	22.6
114.09147	79.2
115.09455	0.5
117.06856	0.3
135.72125	0.3
137.66991	0.3
142.08601	0.7
160.09706	0.7
172.08151	2.5
174.09608	0.3
179.36449	0.3
182.06520	1.5
200.07629	4.9
201.07710	0.3
204.99048	0.3
218.08650	2.5
249.14433	0.9
267.11917	0.5
267.15524	0.8
273.54941	0.3
277.13876	0.6
295.14984	42.8
296.15018	0.6
304.40375	0.3
323.14453	10.2
341.15521	100.0
342.15723	3.1
374.05276	0.3
500.24435	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	500.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69291	0.2
51.96574	0.2
56.96553	0.5
68.05003	0.3
69.03412	0.3
69.98177	1.6
69.98491	0.4
79.05475	0.4
81.05789	0.6
83.04957	0.4
84.08123	0.6
85.02904	0.6
90.95655	0.2
94.06562	0.5
96.08117	23.3
97.02916	0.3
98.09681	0.3
98.97565	1.0
110.97517	0.5
111.18997	0.2
114.09148	78.7
115.09461	0.7
116.10699	0.7
116.98592	0.4
119.01892	0.5
128.98613	0.3
130.08644	0.4
131.01938	0.4
133.03455	0.6
142.08600	0.5
143.01866	1.0
146.03572	0.4
154.07108	0.6
155.01909	0.8
158.99664	0.4
160.09662	1.3
161.02936	1.1
163.03876	0.7
172.08151	2.4
173.02931	1.4
175.04529	0.8
176.09186	0.7
177.00754	0.4
182.06563	1.5
185.03017	0.8
193.00020	0.3
200.07651	6.4
201.00731	0.6
201.02528	0.4
202.01041	0.3
203.03975	0.8
218.08723	1.8
219.01706	0.6
219.03511	1.2
237.02650	0.4
245.05055	0.6
246.05347	0.7
247.04836	0.4
249.14474	1.1
261.02710	0.6
263.06113	0.8
267.11957	0.5
267.15506	0.8
272.06494	0.3
275.06100	0.3
277.13852	0.9
279.03754	0.4
295.14984	43.1
296.15152	1.2
321.06461	1.1
322.05350	0.4
323.14453	11.1
324.14908	0.3
341.15527	100.0
342.15790	3.4
364.17130	0.5
449.22443	0.3
500.11157	1.3
500.24625	2.9
501.14056	0.5
501.24219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01865	2.3
55.05482	0.6
57.03403	0.5
57.07054	1.4
58.95590	0.4
59.04967	0.4
61.02923	0.4
67.05487	1.2
69.03418	2.6
69.07050	2.0
70.02940	1.1
70.06575	1.4
71.04967	0.5
71.78468	0.6
72.04498	5.0
72.08136	0.7
72.52326	0.4
73.02901	3.2
78.17562	0.4
79.35607	0.4
81.03403	4.5
83.04977	2.3
85.02903	2.9
85.06518	2.4
86.09698	0.5
87.04445	0.4
87.08061	0.6
90.05544	9.7
94.04139	1.1
95.04935	2.7
96.08118	0.7
97.02876	3.5
98.02394	3.1
99.04433	2.1
100.03963	1.7
101.06020	0.6
103.07558	0.8
109.02866	6.6
110.07182	0.5
112.07607	0.6
113.05989	1.2
114.09135	3.0
116.03437	5.6
119.04939	0.4
122.03613	3.3
122.23085	0.4
123.04384	0.4
124.07567	6.1
127.03896	4.1
130.08633	1.3
131.06993	0.6
131.85669	0.4
132.06543	1.8
135.04408	0.6
137.05952	100.0
138.06293	1.6
142.08611	4.5
145.04883	2.1
147.04379	1.0
149.05948	1.0
153.06915	0.6
159.41713	0.4
160.09686	3.0
163.03831	1.8
166.08635	1.0
172.09676	1.0
174.11237	1.7
176.09161	2.3
179.07028	1.2
180.06477	0.4
181.04953	0.8
181.06462	0.6
184.09648	8.0
198.07597	0.8
199.06030	1.4
202.10707	22.2
203.11249	0.4
211.09608	1.7
213.09187	0.6
216.08643	1.2
217.07050	0.7
220.11737	5.5
225.09193	0.5
230.10159	3.1
234.09732	2.6
241.08440	1.0
244.11775	0.9
253.08731	0.6
262.12787	4.9
273.11176	3.7
277.16522	0.5
285.11163	2.1
303.12247	1.8
310.12918	1.9
317.12436	0.7
328.13849	19.3
329.14182	0.8
346.14929	4.3
364.15958	12.6
426.37570	0.4
482.22128	0.6
500.14813	0.5
500.22400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
53.04442	0.2
55.01873	0.2
55.05485	0.3
56.05736	0.2
64.68482	0.2
69.03413	0.3
70.06562	1.6
71.78642	0.4
74.09695	0.8
79.05482	0.4
81.03383	0.6
81.07042	0.7
82.06564	0.3
84.08102	0.3
85.02885	0.8
86.06049	0.3
91.05462	0.8
94.04177	1.2
95.04952	0.3
95.08607	0.2
96.08126	0.4
97.02864	0.5
107.04940	0.5
109.02875	0.4
110.07124	0.5
114.09148	4.8
119.04906	0.8
120.08149	0.3
121.06484	0.4
122.03631	3.7
124.11539	0.3
127.03925	0.4
130.08633	0.8
135.04384	0.5
137.05954	100.0
138.06308	0.8
145.02867	0.4
147.04382	1.1
148.07489	0.4
149.05969	0.6
151.07562	0.4
153.06932	0.3
160.09717	0.5
163.03888	0.7
174.11201	0.5
176.09207	0.7
177.05385	0.4
179.07030	0.9
181.06459	0.8
192.03992	0.4
207.06384	0.5
209.09192	0.5
213.08922	0.5
241.08543	0.8
253.08568	0.5
273.11172	0.8
285.04150	0.3
285.11160	1.4
286.04297	0.3
303.12384	0.7
349.67773	0.2
370.78201	0.3
500.14371	3.1
500.21100	1.2
500.25797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
53.04442	0.2
55.01873	0.2
55.05485	0.3
56.05736	0.2
64.68482	0.2
69.03413	0.3
70.06562	1.6
71.78642	0.4
74.09695	0.8
79.05482	0.4
81.03383	0.6
81.07042	0.7
82.06564	0.3
84.08102	0.3
85.02885	0.8
86.06049	0.3
91.05462	0.8
94.04177	1.2
95.04952	0.3
95.08607	0.2
96.08126	0.4
97.02864	0.5
107.04940	0.5
109.02875	0.4
110.07124	0.5
114.09148	4.8
119.04906	0.8
120.08149	0.3
121.06484	0.4
122.03631	3.7
124.11539	0.3
127.03925	0.4
130.08633	0.8
135.04384	0.5
137.05954	100.0
138.06308	0.8
145.02867	0.4
147.04382	1.1
148.07489	0.4
149.05969	0.6
151.07562	0.4
153.06932	0.3
160.09717	0.5
163.03888	0.7
174.11201	0.5
176.09207	0.7
177.05385	0.4
179.07030	0.9
181.06459	0.8
192.03992	0.4
207.06384	0.5
209.09192	0.5
213.08922	0.5
241.08543	0.8
253.08568	0.5
273.11172	0.8
285.04150	0.3
285.11160	1.4
286.04297	0.3
303.12384	0.7
349.67773	0.2
370.78201	0.3
500.14371	3.1
500.21100	1.2
500.25797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
52.11557	0.3
52.61972	0.3
53.03926	0.4
56.31810	0.3
57.03416	0.5
69.03425	1.6
70.00755	0.6
70.01173	1.5
70.06564	1.2
71.04964	0.4
73.02890	0.4
74.55707	0.3
79.05473	0.5
81.03413	5.1
82.06565	4.0
84.08109	0.4
85.02885	2.0
89.03903	4.2
91.05482	0.4
94.06558	5.9
95.04971	0.6
95.07338	0.5
95.08595	0.3
96.08084	0.5
96.32433	0.3
97.02876	1.0
99.04445	0.5
100.07579	0.5
101.99804	0.3
107.04958	1.9
109.02859	1.9
112.06999	0.3
112.07619	4.2
114.09147	1.8
117.03373	6.8
123.04408	0.3
127.03864	0.7
128.07068	3.7
130.08624	31.9
135.04398	16.9
137.05966	5.6
140.07040	10.3
142.08658	0.5
145.02832	13.5
146.03165	0.3
147.04317	0.4
149.05891	0.4
156.31641	0.3
158.08101	6.0
163.03882	100.0
164.02983	0.4
164.04224	2.1
176.09161	93.1
177.09509	1.1
178.49498	0.3
181.04884	1.3
191.45009	0.4
208.99884	0.3
307.08060	3.7
325.08984	3.0
338.14398	22.2
339.14844	0.6
384.30847	0.4
470.41907	0.3
500.17545	25.4
500.56073	0.4
501.18002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62830	1.9
55.05499	7.7
57.07052	4.0
67.05501	11.1
69.07069	13.3
69.49604	19.6
71.08614	2.6
79.05481	10.4
81.07052	23.0
83.04972	1.6
83.08618	8.7
84.19771	1.6
89.06002	7.5
91.05459	13.5
93.07030	23.6
95.04933	2.3
95.08590	41.2
97.10156	3.6
105.07020	29.5
107.08576	43.5
109.10147	29.1
111.08063	2.0
112.05711	1.6
117.06997	5.3
119.08569	67.3
120.08913	2.7
121.10125	49.7
123.08024	4.8
123.11681	6.3
125.09611	3.4
129.06981	2.2
131.08542	19.8
133.08568	4.0
133.10110	54.6
133.27669	1.7
135.08020	5.3
135.11671	32.8
137.09616	3.3
137.13257	2.9
143.08562	9.1
145.10106	29.3
147.08003	3.1
147.10551	2.9
147.11658	36.4
149.09525	2.8
149.13232	12.7
149.14259	1.9
151.11191	2.3
156.09326	3.3
157.10120	6.9
159.11703	19.6
161.09659	1.9
161.13235	23.0
163.11124	5.5
163.14772	11.2
165.09090	3.4
167.10661	2.4
169.10080	4.2
170.10847	4.8
171.11674	14.5
173.13231	28.1
174.13802	2.5
175.11130	2.8
175.13373	3.6
175.14799	38.8
176.15092	2.4
177.12694	2.5
177.16393	4.5
183.11679	6.3
185.13228	16.6
187.14793	46.1
189.12717	6.0
189.14629	3.9
189.16350	70.6
190.16716	2.0
191.14268	10.8
195.11806	1.9
197.13264	3.5
199.14745	8.6
201.12762	5.3
201.16344	23.5
203.17924	100.0
205.12231	5.6
205.15843	3.7
205.19507	7.0
209.11517	2.3
211.14783	5.2
213.16339	12.3
215.14346	3.5
215.17928	54.5
215.19977	2.8
217.15804	3.5
217.19524	5.3
219.13828	20.0
219.98907	1.9
221.15318	3.9
227.17877	6.7
229.12218	2.3
229.15933	2.2
229.19473	5.5
231.13638	2.4
233.15276	4.3
237.14775	23.9
239.17932	3.6
241.19499	7.3
243.20985	3.8
245.15411	2.1
247.13306	5.1
247.16978	5.5
249.14664	2.5
249.18518	8.8
251.16452	3.0
253.19469	3.6
255.21133	4.3
261.18384	3.8
263.16412	3.0
263.17014	3.0
263.20078	24.1
267.21136	2.9
269.22546	2.7
271.16751	2.6
275.19980	12.8
323.27371	2.2
353.04440	1.7
375.30258	12.1
383.29245	4.8
393.31415	10.7
395.32779	2.0
403.29715	12.1
421.30896	39.7
435.32510	11.6
439.31943	63.2
449.30273	7.1
453.33377	8.1
463.32059	8.2
475.58740	1.8
481.33139	17.5
499.33823	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	499.3414
Annotation	Poricoic acid A
Peak:m/z	Relative Intensity
51.39114	1.3
52.26064	1.3
55.05490	6.1
60.67516	1.4
62.59392	1.6
64.98000	1.4
67.05490	8.9
68.76405	1.6
69.03410	2.1
69.07051	10.0
71.79395	1.8
79.05475	9.6
81.07041	21.1
83.08593	6.2
91.05457	12.4
93.07033	24.0
95.04958	2.9
95.08592	28.0
97.06556	2.2
97.10151	3.4
105.07014	28.8
107.08578	42.5
109.06481	2.7
109.10147	25.9
111.08107	1.8
117.06979	5.1
119.08569	54.3
121.10133	47.5
123.08051	3.3
123.11697	8.7
125.05903	1.7
129.06970	5.0
130.07735	2.1
131.08563	23.5
133.10103	43.1
135.08015	3.8
135.11670	33.1
137.09616	4.7
137.13223	2.5
139.07509	2.1
141.07014	1.5
143.08522	8.9
144.09305	2.1
145.10104	32.4
147.07996	2.6
147.11658	30.5
149.09595	2.5
149.13252	15.0
151.11151	2.2
153.09023	1.5
155.08493	2.8
156.09262	1.7
157.10110	15.7
159.11688	23.3
161.09575	2.0
161.13257	19.1
163.07527	2.1
163.11186	3.1
163.14780	6.4
165.09113	3.5
167.10666	2.4
169.10046	7.4
170.10930	2.0
171.11687	22.8
172.12352	1.9
173.09579	1.4
173.13245	28.8
175.11180	1.9
175.14804	25.9
177.09094	2.1
177.12674	3.2
177.16341	2.7
179.10620	2.3
181.12180	1.8
182.10965	2.1
183.11623	7.1
184.12405	1.8
185.13234	14.6
187.11169	1.9
187.14801	57.7
189.12704	3.2
189.16367	34.6
191.14267	6.9
193.12233	4.4
195.11641	3.5
197.11601	1.6
197.13214	8.1
199.14771	12.9
201.12674	2.8
201.16347	19.0
203.14265	2.0
203.17932	42.2
205.12157	4.8
205.15755	2.6
205.19551	1.9
207.13789	2.8
209.13287	3.3
211.14799	8.0
213.16336	10.8
215.14589	2.6
215.17934	52.4
217.15938	1.6
219.13805	12.2
221.15332	1.9
225.16389	7.4
227.17896	14.5
228.18665	1.7
228.48790	1.6
229.19489	10.1
231.13770	2.6
233.15346	6.8
235.16869	2.0
237.14644	10.8
239.17899	16.9
241.19482	32.2
243.21045	6.0
245.15437	3.1
247.16931	5.2
249.18460	5.4
253.19522	7.4
255.21030	5.6
257.22577	2.2
259.17035	1.9
261.18536	3.2
263.20163	7.9
267.21024	3.8
269.22623	2.9
273.18423	2.1
275.20078	12.6
279.20856	1.9
287.20108	4.1
289.21722	2.6
299.20023	5.4
301.21677	6.7
313.21524	3.5
315.23181	2.0
317.21268	1.7
323.27243	6.4
375.30328	11.4
383.29337	4.9
393.31473	14.0
395.33014	6.8
403.29861	14.2
421.30978	69.0
435.32465	18.4
437.34409	1.9
439.32037	100.0
449.30524	5.1
453.33200	6.8
463.32156	5.4
467.31628	2.1
481.33121	40.1
499.34088	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	499.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54765	3.3
53.03925	5.8
55.05502	15.7
57.03427	4.3
57.07063	4.9
58.27592	2.9
64.65020	2.9
65.03932	5.2
67.05495	23.4
69.03417	3.1
69.07048	23.8
71.04974	2.9
71.79498	5.8
72.35325	2.8
79.05477	27.3
79.07150	2.8
81.07041	41.5
83.04943	4.1
83.08606	14.4
91.05461	37.6
93.07030	55.9
95.04961	10.5
95.08582	48.3
97.06506	4.1
97.10133	5.8
105.07005	65.8
107.04935	3.0
107.08574	70.7
109.06503	8.9
109.10141	36.8
111.08069	7.5
117.06994	18.1
119.07732	5.5
119.08569	86.9
121.06474	5.3
121.10124	70.7
122.10484	3.7
123.08093	5.1
123.11683	13.4
127.03931	3.1
128.06203	4.2
129.06975	5.3
131.08557	50.7
133.06471	3.4
133.10115	100.0
135.08012	8.2
135.11668	65.5
137.05937	4.2
137.09621	7.5
137.13257	4.2
143.08572	15.8
144.09341	6.8
145.06491	4.6
145.10098	83.0
147.08032	6.9
147.11646	46.5
149.09587	7.6
149.13223	20.0
153.09181	4.4
155.08548	4.1
157.06525	3.5
157.10135	27.2
158.10851	6.8
159.08096	5.1
159.11668	61.7
160.12253	3.0
161.09589	16.3
161.13229	33.0
163.11102	8.0
163.14804	20.1
165.09076	8.3
169.10144	9.5
170.10841	6.0
171.11656	30.0
172.12386	4.3
173.09607	3.3
173.13228	59.3
174.13986	3.3
175.11197	6.3
175.14786	43.5
176.08467	3.5
177.09055	9.5
177.12787	6.2
177.16405	19.3
179.10680	4.6
181.10063	5.5
183.11703	14.1
185.09599	3.5
185.13208	25.3
187.11192	6.9
187.14771	62.2
189.12703	9.6
189.16339	22.8
191.10680	4.7
191.14311	19.3
193.12283	11.2
193.15887	4.6
195.11682	3.8
197.13255	16.3
199.11263	4.0
199.14746	20.5
201.12834	5.1
201.16368	39.9
203.10699	3.7
203.14275	8.1
203.17928	15.7
205.12241	5.6
207.13840	4.7
209.11574	5.8
209.13303	7.1
211.14835	11.4
213.16345	10.6
215.14293	8.4
215.17920	17.2
217.16023	4.3
219.13765	38.1
221.15318	10.3
223.14909	5.5
225.16464	7.4
227.14151	3.4
227.17873	10.2
229.12187	4.1
229.15871	7.1
229.19586	6.0
231.13884	3.6
231.17404	4.5
233.15334	16.3
234.70369	3.3
235.16934	3.7
237.14697	27.6
239.17897	8.0
241.19389	8.9
243.20978	5.8
245.15366	8.7
246.73051	3.1
247.16989	10.9
250.37971	3.4
255.21246	6.1
259.16904	13.5
261.18518	10.3
269.22690	7.6
273.18472	6.8
279.21323	4.0
287.20114	10.1
341.16885	3.4
375.30704	3.7
393.31427	15.3
395.33249	4.3
399.25751	3.2
403.30127	17.1
407.29443	8.9
421.26550	4.0
421.31100	48.3
431.29266	11.1
435.32986	19.0
439.32047	94.8
449.30618	24.7
453.29044	4.4
453.34341	5.2
463.32208	7.2
467.31555	38.7
481.28442	7.8
481.33206	10.8
499.34824	27.9
500.32642	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	499.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85886	1.6
55.00442	1.6
55.05501	6.1
57.03423	1.5
67.05483	12.0
68.95055	1.8
69.03388	2.7
69.07059	10.4
71.61411	1.7
71.79541	3.1
73.90456	1.5
79.05485	10.8
81.07043	29.1
83.04940	2.2
83.08607	5.7
85.06528	2.6
91.05448	16.7
93.07026	40.1
95.04976	3.2
95.08594	35.8
97.10139	3.4
97.50948	1.8
98.27619	1.8
98.99340	1.8
105.07011	45.2
107.08573	60.8
109.06521	2.3
109.10134	23.5
111.08071	3.2
113.06000	7.6
117.06992	10.3
119.08566	57.8
121.06483	4.8
121.10122	47.4
123.08028	5.7
123.11707	8.4
125.09592	2.2
129.06955	2.1
130.23767	1.6
131.08536	32.1
133.10107	53.1
135.08028	4.7
135.11665	35.4
137.09592	3.5
139.07507	5.4
142.07817	2.4
143.08542	13.9
144.09312	3.3
145.06551	1.8
145.10094	50.8
147.08022	4.6
147.11656	30.4
149.09570	4.5
149.13217	11.7
153.09070	2.7
156.09375	3.0
157.10091	11.4
158.10818	3.4
159.08026	3.7
159.11668	28.8
161.09627	4.3
161.13229	23.1
163.07491	2.8
163.11145	3.0
163.14870	9.8
165.09169	2.0
167.08549	1.9
169.10056	4.5
171.11639	14.8
173.13226	40.7
175.11208	3.4
175.14796	100.0
177.09079	7.6
177.12756	3.2
177.16339	14.1
182.10924	2.3
183.11716	4.2
185.13210	12.4
187.11284	2.7
187.14789	69.8
189.12692	5.6
189.16345	36.8
191.10666	6.9
191.14319	3.6
191.17920	4.9
197.13235	5.9
199.14790	13.9
201.12778	2.6
201.16354	37.2
203.14287	5.8
203.17891	26.8
205.12228	14.8
205.15858	5.6
207.13721	4.3
211.14796	4.1
213.12500	1.8
213.16275	10.0
215.14311	6.1
215.17909	25.0
215.19794	2.6
217.12352	2.0
217.15788	2.9
219.13719	9.9
221.13359	2.2
221.15393	3.6
223.13179	2.4
225.16423	2.7
227.17911	3.7
229.15872	6.2
229.19481	9.4
231.13754	4.9
231.17332	4.1
233.15276	16.2
235.16823	10.3
236.14882	2.8
237.14790	2.1
239.17899	3.0
241.19438	4.2
243.17458	1.8
245.15329	5.1
247.16843	10.1
249.14816	1.8
249.18504	6.2
253.19450	3.8
257.15256	2.0
259.17072	1.9
261.18439	3.9
263.20035	3.2
266.44516	1.6
267.21185	2.1
275.20029	3.6
309.25763	2.9
323.27295	5.4
363.26733	3.1
373.28671	1.8
375.30551	3.4
377.32083	3.4
385.28833	3.2
391.30109	2.6
393.31732	2.5
395.32980	12.3
403.29929	17.8
409.31021	3.2
421.30960	60.5
431.29575	3.5
439.32071	31.9
449.30298	6.5
463.32239	8.0
467.31464	2.9
481.33127	19.9
499.33475	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	499.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70181	0.1
56.05020	0.3
57.03415	0.1
57.05809	0.7
58.06591	4.9
60.12778	0.1
67.05481	0.2
69.03429	0.2
69.07063	0.7
70.06573	0.6
71.07344	0.5
71.52450	0.2
72.08143	8.8
79.05480	0.1
81.03413	0.1
81.07044	0.2
83.05003	0.1
84.08135	0.4
85.02886	0.2
85.08898	0.4
86.09706	0.5
91.05457	0.1
93.07031	0.2
93.21815	0.1
95.08618	0.1
105.06998	0.1
107.04868	0.1
109.02864	0.1
109.10127	0.2
112.55014	0.1
114.12787	100.0
115.12459	0.1
115.13129	0.7
119.08533	0.2
121.10120	0.1
123.04338	0.1
131.08479	0.1
134.05991	0.2
136.07593	0.1
137.05980	0.3
145.02876	0.1
163.03900	0.1
177.05515	0.2
185.53088	0.1
186.09148	0.2
251.17534	0.3
259.09528	0.1
291.42661	0.1
336.26297	0.1
358.25180	0.1
364.25858	0.3
386.24490	0.2
454.27066	0.2
471.33325	0.3
499.16705	0.3
499.32736	7.7
500.32770	0.3
509.57050	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	499.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.1
56.05015	0.4
57.05801	0.6
58.06589	5.2
60.37513	0.1
67.05481	0.1
69.03393	0.2
69.07054	0.7
69.60777	0.3
69.61202	0.5
70.06575	0.7
71.07350	0.6
72.08141	9.3
81.03416	0.2
81.07030	0.2
83.04974	0.2
84.08142	0.4
85.02892	0.2
85.06538	0.1
85.08918	0.7
86.09701	0.7
91.05463	0.2
93.07024	0.2
95.04952	0.2
95.08575	0.2
97.02869	0.1
97.06503	0.2
105.06998	0.2
107.08556	0.1
109.02864	0.2
109.10133	0.3
109.71343	0.1
114.12783	100.0
115.13136	0.7
119.08519	0.2
121.06537	0.1
123.11751	0.1
127.03907	0.2
130.08630	0.1
134.05954	0.1
136.07524	0.1
137.05951	0.2
139.07507	0.1
145.10104	0.1
147.11646	0.2
159.14922	0.1
160.09660	0.1
161.13168	0.1
163.03894	0.1
167.07106	0.1
177.05484	0.3
186.09135	0.1
187.07478	0.1
196.31961	0.1
200.10645	0.1
207.06625	0.1
223.19821	0.1
251.17487	0.2
336.26395	0.2
364.26138	0.2
371.67184	0.1
386.24472	0.4
395.20847	0.1
440.33679	0.1
471.33481	0.1
499.32736	7.0
500.32959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3049
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
52.71280	3.6
55.05492	12.3
57.03429	3.6
57.07067	3.5
67.05497	26.1
69.07068	22.6
71.79412	4.4
79.05480	28.9
81.07047	49.2
83.04975	3.3
83.08593	12.5
84.08145	3.5
85.02892	4.4
85.94096	3.6
91.05468	48.8
93.07035	63.6
95.04943	11.9
95.08591	66.1
97.06529	3.6
97.10159	7.2
97.93461	3.3
98.98482	4.0
103.05457	4.6
105.07021	73.5
107.07893	5.4
107.08583	76.2
109.06487	8.4
109.10143	37.4
111.04418	3.6
115.05431	4.8
117.07001	26.4
119.08565	100.0
121.06483	18.2
121.10127	65.0
123.08025	10.0
123.11678	7.4
128.06146	4.3
129.07033	18.9
131.08546	51.6
133.06491	11.4
133.10103	49.6
134.10440	3.1
135.08020	15.8
135.11687	27.5
137.05916	4.2
137.09587	10.1
141.06926	7.0
142.07776	8.0
143.08549	32.3
144.09344	9.8
145.10121	71.4
147.08038	15.5
147.11665	41.7
149.05934	6.6
149.09608	11.8
149.13251	18.3
151.07506	11.0
151.11099	4.7
153.09052	4.7
155.08551	17.8
156.09311	9.3
157.10126	50.8
158.10861	7.3
159.07999	8.7
159.11674	65.1
161.09601	12.8
161.13228	45.7
163.07555	5.8
163.11147	12.3
163.14766	16.3
165.09093	21.5
168.09354	8.5
169.10136	26.1
170.10838	8.5
171.11664	52.7
173.09697	6.6
173.13213	59.4
175.11177	9.6
175.14803	25.3
177.09041	15.8
177.12698	10.3
177.16354	15.8
179.08527	4.4
181.10056	11.7
182.10930	5.2
183.11658	31.2
185.09633	6.4
185.13219	41.0
187.11169	9.3
187.14830	43.4
189.09053	4.9
189.12822	16.2
189.16377	24.5
191.10655	7.0
191.14320	6.6
193.12169	7.5
195.11664	14.5
197.13293	24.9
199.11189	6.2
199.14824	47.2
200.85982	3.6
201.12686	6.2
201.16345	39.7
203.10669	7.3
203.14343	9.8
203.17912	10.5
205.12160	17.4
205.15860	4.2
207.11792	5.7
207.13731	4.8
209.13269	8.8
211.14806	15.8
213.12762	6.7
213.16344	26.6
215.14337	7.0
215.17876	11.4
217.12183	10.5
217.15833	6.3
219.11707	4.6
219.13780	7.2
219.67743	4.1
221.13266	8.5
223.14989	7.7
225.16359	16.0
227.14388	6.0
227.17851	15.4
229.12129	7.0
229.19516	5.7
231.13812	4.3
233.13239	4.8
233.15361	8.5
235.14963	5.3
237.16353	10.3
239.14433	5.0
239.17914	15.8
241.19487	15.3
245.15399	13.6
247.16962	8.5
249.16412	5.1
251.18057	5.5
253.19534	16.7
255.21053	8.4
257.15314	5.8
259.16812	7.4
261.18619	6.1
265.19583	8.6
267.17334	5.2
267.20953	10.1
269.22580	6.1
271.17050	4.9
273.18442	11.8
277.19562	4.6
285.18436	6.3
293.22629	4.2
297.18625	4.0
299.19943	5.5
311.20053	5.3
325.21414	5.8
335.20035	3.9
349.21313	3.8
371.27103	10.6
375.30527	4.7
379.30096	4.4
389.28537	18.4
391.29749	4.7
393.31836	5.3
399.26874	7.3
401.28448	5.5
403.30005	4.9
405.27875	12.9
407.29425	27.7
415.25928	6.1
417.27887	41.0
421.30850	15.9
423.28891	8.7
425.30560	4.6
433.27240	26.1
435.28799	63.8
436.29318	6.3
437.30450	8.1
445.27155	12.6
449.30289	10.1
451.28262	13.9
453.29639	26.9
453.34088	15.3
455.31693	6.4
463.28003	42.1
481.29184	89.6
499.30219	75.7
500.30569	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	498.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01858	1.1
55.05502	7.3
56.70401	0.9
57.03425	4.9
57.07060	1.7
65.03946	0.9
67.05492	36.5
69.07063	10.3
69.57732	9.5
71.04982	3.5
72.42152	1.0
79.05479	20.5
81.03399	1.6
81.07044	45.3
83.04967	4.0
83.08608	11.0
85.06535	3.0
86.01958	0.9
91.05460	18.0
93.07030	30.8
94.04049	0.9
95.04937	4.5
95.08591	15.6
97.06511	5.1
97.10157	1.9
99.08054	2.5
105.07024	9.4
107.04966	1.4
107.08566	19.1
109.06548	1.3
109.10135	4.2
111.08065	3.8
117.07008	7.3
119.08569	5.9
121.06513	1.7
121.10140	10.3
123.08045	1.6
123.11710	1.4
129.06990	4.1
131.08546	11.7
133.10092	12.2
135.08018	2.1
135.11668	6.3
141.06902	1.2
143.08530	4.2
145.10103	2.9
147.11635	1.3
149.09576	1.2
149.13228	13.6
155.08568	1.4
157.10117	2.8
159.11664	7.6
163.14807	1.0
169.10161	1.3
171.11612	1.8
173.13225	1.2
177.12732	3.2
178.45418	1.2
187.14870	1.3
195.13742	9.2
213.14767	1.3
233.15341	0.9
251.16435	2.1
269.17422	56.0
269.53183	1.0
283.06339	1.0
353.24738	2.4
371.25754	1.8
427.28207	1.1
445.29431	15.7
463.30472	100.0
464.30722	2.6
481.31140	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	499.3047
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
53.32497	1.1
55.01871	1.2
55.05497	7.3
57.07056	2.4
65.09762	1.0
67.05495	12.6
69.03410	3.6
69.07060	11.7
71.18671	3.3
72.03850	1.0
79.05468	8.5
81.03416	1.0
81.07040	14.8
83.04964	2.6
83.08607	6.3
91.05463	13.6
93.07027	18.1
95.04965	5.6
95.07991	2.0
95.08589	29.3
97.02885	1.7
97.06501	5.4
97.10135	2.5
99.08067	2.5
105.07014	27.9
107.08572	27.5
109.06506	2.3
109.10132	27.4
111.08080	1.6
113.05969	5.3
115.05390	1.5
117.06983	8.8
119.08562	47.1
121.06491	1.4
121.10128	30.6
123.08054	6.1
123.11687	6.9
125.09634	2.0
128.06186	2.1
129.06975	8.4
131.08542	27.4
133.09146	2.1
133.10107	29.0
133.11128	1.5
135.08038	6.3
135.11664	16.7
137.09601	6.1
137.13237	3.2
139.11211	1.0
141.06955	1.6
143.08549	12.9
144.09282	2.3
145.10107	33.5
147.08009	3.3
147.11653	20.5
149.09586	6.2
149.13257	10.2
151.11201	2.3
155.08536	5.5
156.09317	3.3
157.10100	16.6
158.10889	4.0
159.08029	3.1
159.11673	21.3
161.09616	3.5
161.13240	16.6
163.07518	2.2
163.11116	3.2
163.14783	8.2
165.09149	1.8
165.12711	3.4
166.71176	1.1
167.08589	3.5
167.10501	1.3
169.10127	11.2
170.10847	5.3
171.08020	1.5
171.11650	18.3
172.12488	3.1
173.09691	2.3
173.13237	47.4
175.11208	3.9
175.14803	17.0
175.37308	1.0
177.09190	1.4
177.12743	3.8
177.16418	3.3
179.06981	1.2
179.08479	1.2
181.10107	4.6
182.10904	2.1
183.11647	10.9
184.12393	2.2
185.13239	21.5
187.11162	4.0
187.14787	44.4
189.12737	4.7
189.16351	19.7
191.10735	1.5
191.14258	6.5
193.10144	2.5
193.12106	1.1
193.15872	1.6
195.11572	5.7
196.12468	1.4
197.13214	25.7
199.11168	1.7
199.14775	19.4
200.11935	1.5
201.12729	7.9
201.14595	1.5
201.16339	12.8
203.14331	7.4
203.17914	2.5
205.12257	1.9
205.15863	5.7
207.11835	2.3
207.13817	4.6
209.13194	5.7
210.14055	1.2
211.11168	2.0
211.14746	6.8
213.12900	2.2
213.16359	15.4
215.14323	13.0
215.17885	24.9
217.15880	6.0
219.11838	1.6
219.13673	4.7
221.13245	3.7
223.14801	6.0
225.12770	1.6
225.16293	11.0
227.17905	14.1
229.15898	3.5
229.19553	2.0
231.13815	2.8
231.17398	2.2
233.13219	1.4
233.15311	13.7
235.14783	2.8
235.16911	2.4
237.16321	8.7
239.17896	13.5
241.15819	7.0
241.19429	6.6
243.17418	2.1
243.21039	1.2
245.15329	3.3
247.16986	2.6
249.16405	3.1
251.17957	3.4
253.19490	7.4
255.21085	3.5
259.16962	6.7
261.14862	3.1
261.18512	10.3
263.18250	1.4
265.16077	1.1
265.19516	7.5
267.17477	3.1
267.21005	3.0
271.16913	3.4
273.18457	7.8
275.17944	3.2
277.14383	2.9
277.19592	2.9
279.15970	3.6
279.21051	3.3
281.19128	2.2
281.22647	2.1
283.20544	1.4
285.18515	6.2
291.20999	3.5
293.19009	7.1
293.22650	4.5
295.20923	1.7
295.24194	4.4
299.20044	2.7
305.19122	1.6
305.22574	2.9
307.20844	1.2
307.24213	4.1
309.25723	2.7
317.22568	3.1
319.20560	3.9
319.23932	1.7
321.22079	1.7
325.21561	1.9
327.19632	1.4
327.23322	1.7
331.24142	1.5
333.22052	2.1
333.25610	1.9
335.19888	1.4
335.27148	1.5
337.21594	2.4
339.23087	2.6
341.24725	4.4
345.25992	1.4
347.27283	1.5
351.23035	1.7
353.24622	2.9
355.26279	14.9
359.27686	1.1
361.28848	15.0
363.23013	1.6
363.30417	4.5
371.27182	6.9
373.28900	4.1
379.22339	1.5
379.30109	7.3
385.23801	2.8
389.28342	33.5
391.29941	20.6
393.23996	2.0
399.25363	13.0
407.29395	49.4
409.31027	22.3
417.27786	14.7
419.29282	7.3
425.30545	14.8
435.28906	43.7
436.29773	1.9
437.30435	8.8
445.27341	2.3
451.28745	2.5
453.29919	72.6
454.30179	3.3
455.31329	1.4
463.28397	23.1
471.31113	9.6
481.29419	100.0
482.29639	3.3
499.30472	89.5
500.30630	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	498.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03752	0.4
53.03936	0.5
55.05499	0.5
62.91779	0.4
65.72726	0.4
69.03414	1.6
70.06578	8.9
71.78992	0.7
72.08127	0.4
79.05511	0.6
81.03394	2.6
81.05769	0.6
82.06590	0.5
83.04959	0.8
84.08132	0.8
85.02905	2.0
86.06042	2.2
87.04475	1.2
89.03893	3.2
91.05461	1.4
92.69045	0.3
94.06553	0.7
95.04972	0.8
96.08132	2.1
97.02839	1.0
99.04440	0.7
100.07615	0.5
104.07084	0.4
107.04912	0.5
109.02869	1.8
114.09148	59.7
117.03362	14.0
119.04926	1.5
121.06471	0.6
125.07127	0.7
127.03893	0.9
128.07111	0.8
130.08617	1.2
130.12297	0.8
134.03590	0.7
134.34067	0.4
135.04399	1.0
136.12398	0.4
140.07025	0.8
142.08635	0.8
145.02826	37.1
145.10133	0.5
146.03175	0.6
147.04410	1.3
149.05948	4.1
160.09663	100.0
161.10014	0.8
162.03123	0.4
163.03860	1.9
174.11201	1.0
175.03929	1.7
177.05443	55.2
181.08453	0.6
195.06593	0.5
197.12994	0.5
207.06514	3.6
209.11655	0.6
210.82321	0.4
218.93752	0.4
253.81868	0.5
282.42322	0.4
286.17572	0.8
297.04120	0.4
304.15057	2.0
321.09576	0.7
322.14914	30.8
337.39780	0.4
339.10648	1.1
452.19351	0.5
453.57648	0.4
498.19623	26.7
499.19501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.27517	0.3
65.03934	1.0
68.57241	0.3
69.03435	0.3
70.06579	2.7
70.84936	0.9
79.05477	0.3
81.03387	0.6
81.22050	0.3
82.06551	0.3
82.67372	0.3
84.08147	0.5
85.02900	0.4
89.03918	0.4
91.05467	21.2
92.05787	0.4
95.04951	0.4
97.02899	0.3
103.05476	0.4
105.03369	0.4
112.07587	1.2
114.09165	0.3
119.04925	31.2
120.08128	0.3
121.10233	0.3
129.03377	0.6
129.04443	0.3
130.08621	21.2
132.02068	1.4
133.02809	0.3
135.04407	0.6
137.44815	0.3
145.02834	0.7
146.08159	0.3
147.04385	28.9
148.04787	0.6
149.02290	1.0
157.03931	2.3
160.01485	0.4
162.03143	0.4
163.37216	0.2
163.82080	0.3
164.04655	0.9
175.03883	50.2
176.04315	0.7
177.05394	0.7
179.06956	2.6
188.06953	0.3
199.60805	0.3
207.06496	100.0
208.06837	1.8
283.15393	0.3
290.10046	0.3
292.13864	2.1
301.16556	0.4
308.36801	0.3
336.21875	0.3
369.11624	1.3
395.19754	0.3
452.68008	0.3
456.45667	0.3
498.19962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.31514	0.3
55.07696	0.3
57.03434	0.5
58.06588	0.3
58.20631	0.3
63.02375	0.4
64.67635	0.3
68.05029	0.4
69.03432	1.4
69.73282	2.5
70.06587	3.1
79.05486	0.6
79.15328	0.3
81.03409	4.1
81.05782	1.0
83.04976	1.3
84.08147	1.0
85.02903	2.3
86.09691	0.5
89.03892	4.1
91.05479	0.9
94.06557	0.7
96.08123	3.1
97.02905	0.6
99.04455	0.6
103.05448	0.5
104.96937	0.3
109.02853	1.8
114.09148	64.6
115.09459	0.6
117.03360	14.3
119.04928	0.6
127.03942	0.8
128.07076	0.5
130.08624	0.7
130.12289	0.9
131.04892	1.2
134.03606	0.7
135.04385	1.2
140.07080	1.6
142.08615	1.2
145.02823	46.0
146.08170	0.3
147.04364	0.7
149.05965	5.9
149.51198	0.3
160.09663	100.0
161.10008	0.9
163.03870	2.7
167.06958	0.4
174.11232	2.6
175.03891	0.4
177.05438	76.6
178.05844	0.7
182.08017	0.5
186.05463	0.8
195.06558	0.5
207.06467	1.1
208.05891	0.4
321.09698	3.0
322.14899	22.1
323.15259	0.5
339.10687	3.7
377.83365	0.3
480.17963	0.5
498.19284	24.7
499.19589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
52.65956	0.2
53.03945	0.2
55.05516	0.6
65.03931	0.9
69.03434	0.4
70.06585	1.0
70.12887	0.8
70.13303	0.4
70.34365	0.2
76.03130	0.2
77.03928	0.6
79.05486	0.2
81.03399	0.3
81.10700	0.2
82.06586	0.3
83.08614	0.3
84.08151	0.5
85.01555	0.2
86.09689	0.3
89.03899	0.3
91.05473	20.3
95.04951	0.3
100.11243	2.1
103.05450	0.6
105.03376	0.4
106.06538	0.3
107.04907	0.3
108.05750	0.2
112.07619	1.1
114.09148	0.2
119.04932	29.5
120.05302	0.5
124.07583	0.3
129.03397	0.5
130.08632	17.4
132.02028	1.2
133.02838	0.4
134.05946	0.3
135.04376	0.3
136.05174	0.5
145.02878	0.8
147.04396	25.8
148.04831	0.3
149.02335	1.1
152.07068	0.7
157.03951	2.4
163.03909	0.3
164.04689	0.9
170.08061	0.2
175.03893	46.6
176.04303	0.9
177.05394	0.4
179.07005	1.9
182.15388	0.9
192.04146	0.3
207.06506	100.0
208.06783	1.4
209.16461	1.0
210.14876	0.7
226.19176	0.3
292.13895	2.1
369.11877	1.7
435.32858	0.5
443.66898	0.2
453.28522	0.3
453.34338	4.5
498.20654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.05496	20.2
57.07058	8.8
65.03926	2.9
67.05494	39.6
69.03423	3.8
69.07057	22.4
69.51712	19.0
79.05489	22.0
81.06590	3.7
81.07045	51.4
81.78336	1.9
83.04967	2.4
83.08603	18.3
85.06557	2.7
91.05463	26.3
93.07036	49.6
95.04966	14.2
95.07986	4.5
95.08594	88.3
97.02908	2.5
97.06496	2.8
97.10162	5.2
105.07014	59.0
107.08577	76.5
109.06501	4.3
109.10141	66.9
113.05997	19.3
117.06989	18.2
119.08565	100.0
120.09384	1.9
121.10127	75.6
121.32344	2.0
122.10336	2.0
123.08037	4.0
123.11691	29.4
125.05978	1.9
125.09637	4.5
128.06192	3.6
129.06973	27.9
130.07719	2.3
131.08549	46.6
133.06448	3.3
133.10109	75.4
135.08063	4.1
135.11674	51.4
137.13239	5.6
139.07565	2.4
139.11182	4.2
141.06934	4.2
142.07709	5.0
143.08542	21.5
145.10104	49.4
147.08044	4.9
147.10548	4.1
147.11662	55.4
149.13226	30.6
150.12555	1.9
150.46419	1.7
151.11174	2.3
151.14813	3.3
153.09065	7.6
155.08511	9.7
156.09351	4.1
157.10120	28.1
158.10912	3.5
159.08043	3.2
159.11681	47.1
160.12546	2.1
161.09613	3.1
161.13232	40.4
163.11182	4.1
163.14798	25.4
165.09077	4.1
167.08528	4.0
169.10089	15.3
170.10826	3.2
170.92097	2.0
171.11661	31.1
172.12381	2.7
173.09735	2.4
173.13229	47.4
175.14792	50.4
177.16348	29.0
181.10129	5.9
182.10820	2.6
183.11685	14.1
185.09500	1.9
185.13232	22.3
187.11084	2.4
187.14774	37.0
189.12727	3.7
189.16365	82.4
191.10567	2.2
191.14311	3.9
191.17934	14.0
193.12209	7.3
193.15912	4.8
195.11646	3.9
197.13258	20.9
199.11128	2.5
199.14793	64.7
201.16362	77.0
203.17923	96.3
205.12286	3.6
205.19498	2.5
207.11731	2.8
207.13724	4.2
207.17345	3.2
208.12622	2.1
209.13289	7.6
211.14818	11.3
213.12796	3.2
213.16357	19.1
215.14339	5.7
215.17908	57.6
217.12138	3.1
217.15886	4.1
217.19481	7.5
219.13779	5.8
221.13304	3.6
221.15405	4.4
223.14830	7.7
225.12726	5.0
225.16290	16.4
226.16765	1.8
227.14264	7.4
227.17905	17.0
229.15729	2.6
229.19492	6.5
231.13826	2.4
231.17365	4.1
233.15298	4.8
235.16945	6.3
237.16335	8.5
239.18079	12.2
241.19504	10.4
243.13684	2.7
243.17474	6.3
243.20981	2.6
245.19031	3.3
247.16867	2.7
249.16280	4.0
249.18532	6.6
251.17979	6.6
253.19405	11.0
255.17676	2.2
255.21022	4.1
257.15308	7.9
259.16928	17.5
265.19446	4.9
267.20935	9.9
269.22504	2.9
273.18488	5.8
275.20032	4.8
279.21027	3.4
281.22516	3.4
283.24185	2.5
287.20007	4.8
291.20993	3.6
293.22385	4.1
295.20541	2.2
295.24106	5.0
297.25745	4.6
299.20111	3.8
305.22653	4.2
306.23535	3.6
307.24213	6.7
311.27301	4.3
317.22690	3.2
327.23260	4.7
355.26208	2.8
363.30313	11.5
373.28793	9.9
380.81735	2.5
391.29367	12.3
391.34341	10.8
401.28339	15.4
409.31015	30.9
419.29309	36.6
423.32626	5.4
433.30902	7.5
435.03528	2.5
437.29221	8.3
437.34842	51.7
447.29071	3.7
451.30972	11.2
461.30524	6.9
479.31555	19.0
497.32687	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	497.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76115	1.5
53.03936	2.6
55.05492	8.8
57.07052	3.6
59.36835	1.8
60.08132	2.4
62.31218	1.4
65.03893	1.5
67.05492	20.8
69.03414	3.3
69.07056	13.8
69.69417	5.4
69.69837	8.1
71.04955	2.8
77.85875	1.7
79.05466	13.9
81.07043	22.5
81.16965	1.6
83.04952	2.7
83.08591	7.7
85.06516	2.4
86.09693	3.8
91.05456	17.1
93.07025	32.4
95.04951	10.1
95.08587	32.2
97.06487	4.3
97.10149	3.6
98.21413	3.0
104.10740	8.6
105.07008	40.2
105.11075	3.5
107.08569	39.9
107.09295	1.6
109.06481	5.5
109.10137	20.2
113.05984	4.9
116.06303	2.1
117.07005	8.3
119.08561	54.7
121.06496	4.2
121.10122	50.8
123.08028	5.5
123.11690	9.3
124.99968	3.4
125.09617	2.9
129.06975	7.5
131.08545	37.1
133.06445	4.9
133.10104	49.8
135.08023	9.9
135.11676	21.0
137.09578	6.1
137.13258	3.1
141.06990	2.5
142.07690	2.9
143.08551	19.5
144.09351	2.8
145.06425	1.7
145.10097	40.8
147.08026	12.3
147.11650	23.1
149.09612	11.8
149.13206	9.3
151.07510	2.6
151.11153	4.4
155.08530	9.6
156.09312	4.7
157.10086	24.4
158.10869	6.3
159.08052	5.6
159.11661	22.7
161.09581	9.9
161.13228	14.7
163.07549	3.1
163.11139	3.3
163.14793	6.7
165.09052	2.7
167.08524	2.2
168.09250	2.4
169.10095	11.9
170.10838	4.7
171.11649	24.1
172.12401	1.9
173.09569	5.6
173.13231	66.8
174.13635	2.1
175.11128	5.3
175.14789	48.9
177.09050	5.8
177.16312	2.8
179.10574	1.8
181.10075	4.1
182.10986	4.5
183.11627	15.1
184.07350	11.0
184.12520	2.3
185.07692	2.3
185.09534	2.4
185.13216	33.6
187.11154	4.0
187.14790	49.4
189.09158	2.3
189.12669	3.6
189.16336	14.6
191.14258	6.3
195.11671	5.8
197.13205	18.1
198.13890	3.4
199.11133	2.7
199.14799	19.3
201.12732	16.2
201.16339	17.0
203.14278	30.6
205.12141	2.3
207.11604	2.9
207.13632	1.6
209.13255	8.3
210.13893	2.0
211.14709	10.1
213.12721	1.7
213.16315	12.2
215.14293	25.9
215.17780	3.7
217.15877	5.8
218.45047	1.9
219.13741	8.7
221.13344	3.0
221.15331	5.8
223.14801	5.7
225.12810	2.1
225.16313	16.9
227.14194	2.1
227.17906	6.4
229.15790	1.8
229.19371	2.0
231.13756	9.3
231.17505	2.3
233.15265	4.3
235.14780	3.3
237.16467	3.7
239.17851	10.8
241.15877	2.0
241.19501	5.4
243.17555	3.3
245.15309	4.4
247.16928	5.9
249.16492	2.1
251.17894	6.8
253.19421	7.9
255.20987	2.4
259.16895	3.0
262.02957	1.6
263.17865	2.4
265.19495	4.8
267.17358	1.9
267.20874	3.5
269.18857	2.2
269.22491	2.4
273.18466	3.5
275.16284	2.5
277.19489	2.9
279.21127	3.6
285.18460	3.8
287.60123	1.8
291.21094	3.6
305.22614	3.9
307.24081	7.6
309.22205	2.2
311.20123	3.3
319.24054	2.9
321.25745	3.1
331.24036	2.1
337.25110	10.5
365.24759	1.9
367.26218	4.6
368.27151	3.4
373.28717	9.6
375.30307	2.6
384.26447	2.1
391.29932	14.6
393.31503	8.3
397.27356	10.3
401.28226	6.4
409.30838	5.5
419.29330	26.7
433.31058	9.3
437.30460	80.8
438.30539	4.2
451.31955	53.2
452.32080	2.2
461.30164	3.5
469.32959	3.5
479.31476	23.5
496.44055	1.9
497.32507	100.0
498.33060	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	497.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
57.07072	1.7
67.05492	3.2
69.07056	3.0
71.08624	1.6
71.79599	2.0
79.05491	4.7
81.07043	6.9
81.91199	0.9
83.04968	1.1
83.08598	1.5
85.02876	1.3
86.79657	0.9
87.28014	1.0
89.06012	1.3
91.05461	4.0
93.07023	6.2
95.04945	1.2
95.08601	7.2
105.07016	8.6
107.08585	8.7
109.10146	3.0
117.07012	2.0
119.08560	12.3
121.10104	5.7
123.11650	1.5
126.01099	1.0
129.06969	1.8
131.08540	6.6
133.06461	1.2
133.10089	9.8
135.08060	1.0
135.11652	3.2
137.09525	1.1
142.07736	1.0
143.08556	4.3
145.10098	8.6
147.11714	4.8
148.05069	1.0
149.13213	1.6
155.08510	1.4
157.10130	4.8
158.10843	1.7
159.11696	6.9
161.13249	4.1
165.09067	1.5
169.10104	2.1
171.11659	5.8
173.13223	15.7
175.14798	8.4
177.09039	1.7
183.11688	1.8
185.13252	5.3
187.11160	1.2
187.14781	8.9
189.16406	1.5
195.11475	1.0
197.13284	2.6
199.14789	4.0
201.12694	1.9
201.16393	4.9
203.14282	2.3
205.12230	2.7
211.14819	1.8
213.16473	1.2
215.18011	1.3
217.15929	1.4
219.13800	9.2
225.16307	1.9
227.17949	2.2
231.13771	1.4
239.17816	1.6
241.19478	3.6
245.15315	1.6
249.16551	1.1
251.17891	1.3
253.19545	2.0
283.17026	1.9
295.16934	2.3
319.16470	1.1
363.51447	1.2
389.24698	2.0
401.28271	1.9
419.29425	68.1
436.09027	1.0
479.31512	100.0
480.31784	3.7
497.35468	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	496.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20436	9.1
53.60370	9.3
55.05513	17.2
63.14140	10.2
67.05505	62.5
67.05795	11.2
69.07044	36.9
70.29272	43.6
71.04992	11.1
79.05448	30.8
80.54440	10.0
81.03423	13.2
81.07048	93.5
83.08610	27.9
85.02866	15.6
87.22640	11.4
91.05449	35.2
93.07030	65.1
94.04951	13.2
95.08594	100.0
98.21330	16.8
104.47611	12.0
105.07010	59.8
107.08580	82.9
109.10147	76.4
111.08124	14.4
119.08557	46.4
121.10155	59.1
123.11688	51.8
131.08511	19.3
133.10107	98.2
135.11670	62.7
137.13219	16.8
145.10086	35.4
147.11659	47.9
149.13239	48.0
159.11641	32.6
161.13240	25.1
163.14821	16.2
165.16255	12.8
171.11667	22.6
175.14795	31.8
177.16347	49.8
184.07332	19.7
185.13251	17.2
187.14784	24.7
199.14635	17.0
201.16350	16.9
203.17944	37.0
213.16245	17.1
215.17897	30.3
236.14775	15.6
249.18410	13.0
259.16821	20.9
335.25903	16.2
379.33575	18.2
383.29050	12.3
392.45435	15.4
409.34525	39.9
425.34033	49.8
437.34055	48.6
447.40286	12.0
455.35083	40.3
496.34991	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62220	0.1
55.05505	0.2
56.05025	0.3
57.03439	0.2
57.07070	0.9
58.06352	0.2
58.06613	0.3
58.22904	0.2
59.07374	0.2
60.08158	5.3
67.05493	0.5
69.07056	0.3
71.07368	2.3
71.08620	0.4
79.05469	0.1
81.07051	0.5
86.09697	28.3
91.05454	0.1
93.07025	0.3
95.08614	0.4
98.98454	2.5
104.10730	2.7
107.08598	0.3
117.21771	0.1
119.08575	0.2
123.31345	0.1
124.99988	19.3
131.08580	0.2
133.10175	0.3
143.01027	0.3
145.10132	0.1
147.11661	0.2
151.56070	0.1
173.13280	0.2
184.07321	100.0
185.07666	0.5
187.14825	0.2
191.58910	0.1
198.55641	0.2
220.31084	0.1
258.10980	0.2
262.37671	0.1
313.27481	0.3
478.32922	1.1
496.33865	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	496.3392
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05484	0.4
56.05020	1.0
57.03412	0.5
57.07063	3.5
58.06563	1.3
59.07363	0.3
60.08152	17.6
67.05493	0.7
69.07046	0.5
70.06582	0.2
70.40105	0.4
71.07359	5.9
71.08615	1.9
77.06091	0.1
81.07052	0.9
83.08598	0.6
85.10165	1.0
86.09689	48.6
87.10016	0.3
95.08574	1.3
97.10143	0.2
98.98447	3.2
104.10722	100.0
105.11052	0.7
109.10114	0.5
123.11698	0.2
124.99978	26.4
143.01064	0.3
158.55264	0.1
163.01520	0.7
170.39398	0.1
181.02594	0.2
184.07309	96.2
185.07645	0.7
199.03642	0.2
219.50841	0.2
258.11029	0.9
298.23184	0.2
303.30313	0.2
313.27356	2.2
419.25497	0.3
478.32858	9.3
479.33224	0.3
496.33914	40.6
497.34402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	6.7
57.62251	0.8
61.02908	1.2
63.81991	0.8
69.03413	2.8
69.54601	9.0
70.98109	2.5
73.02908	1.0
74.03288	1.0
75.48544	0.9
85.02902	8.5
88.99141	1.4
94.06572	1.2
96.08105	2.0
97.02882	3.4
98.21467	1.6
98.97567	9.1
106.90849	1.0
110.97569	1.6
112.99073	1.0
114.09158	3.6
116.98586	4.8
119.01859	2.0
127.03905	3.6
128.98526	0.9
130.08620	3.6
133.03441	1.2
134.99632	1.8
137.05946	1.9
143.01831	2.5
145.03540	1.2
145.04967	2.8
146.99667	1.7
154.05440	1.1
158.99625	1.6
160.09648	1.7
161.02905	1.9
170.04880	16.9
170.99657	1.3
172.06435	18.5
173.01216	1.0
173.02881	1.9
175.04517	1.3
177.00720	2.9
185.02971	1.3
187.02621	1.3
188.05923	16.6
189.00688	2.1
190.03868	1.9
190.07477	27.3
191.02283	1.8
191.03773	1.9
193.00153	2.6
198.04306	15.6
198.05995	1.1
200.07704	1.5
201.00737	2.3
203.03928	1.0
206.07010	1.3
208.08482	2.2
211.01178	1.0
213.09146	1.2
215.05103	1.1
216.05415	100.0
217.00095	1.2
217.05823	2.0
219.01808	3.3
221.05045	1.0
231.53790	1.3
232.04855	3.3
234.06461	64.1
235.01268	3.1
235.06868	1.4
237.02798	1.7
238.03365	1.3
239.07101	3.4
242.08711	1.8
244.07529	1.5
245.05078	3.9
246.05154	1.0
252.07652	1.6
254.08740	1.6
257.08136	1.3
258.06302	20.7
261.02893	3.9
265.02530	1.6
269.85446	0.9
270.06351	2.2
272.10162	1.2
276.07571	10.7
277.98694	1.5
279.03781	1.2
281.07101	5.9
284.08847	1.1
288.07349	9.7
290.09198	2.8
306.08554	1.4
316.06860	33.9
317.07495	1.2
318.08636	1.4
334.08105	6.7
337.04230	1.8
337.09955	1.6
348.09561	3.5
361.10574	1.1
362.09515	1.1
379.11014	2.1
391.84897	0.9
397.11368	1.7
424.61951	1.0
496.13913	4.5
497.12006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09747	0.3
54.19502	0.4
55.05502	1.0
55.43280	0.3
56.05013	0.6
57.03419	0.9
58.99563	1.0
60.04515	5.6
67.05486	1.4
67.76479	0.4
69.03404	1.2
69.07042	1.1
70.06577	0.5
71.04984	1.0
71.79582	0.7
74.06051	0.5
79.05487	1.7
81.03397	1.8
81.07054	2.4
83.04962	0.9
83.08603	0.5
85.02890	3.0
86.99059	0.7
87.02669	5.6
88.02197	0.4
91.05469	1.4
93.07027	2.4
95.01347	0.6
95.04958	1.2
95.08598	1.6
97.02884	0.9
97.06488	0.7
99.04456	0.7
100.11227	1.4
100.50392	0.4
105.07021	1.5
107.04947	1.7
107.08591	1.3
108.08994	0.4
109.02866	1.1
109.06513	2.0
109.10130	1.1
116.01645	2.8
117.05756	0.7
119.04935	0.7
119.08585	0.9
121.06488	1.1
121.10129	0.7
123.08039	0.6
127.03887	0.8
129.07008	0.4
131.08556	0.9
132.08072	0.8
133.10120	1.0
134.10439	0.5
135.08041	0.7
135.11623	0.9
136.03920	6.7
137.05962	0.8
137.09633	0.4
139.11168	0.5
144.01118	0.7
145.02827	0.9
145.10057	0.5
147.04359	2.2
147.08002	0.5
147.11632	0.5
149.09444	0.4
151.07579	0.4
154.04961	1.6
157.10071	0.5
158.06007	0.6
160.07555	4.4
161.08308	2.6
161.09509	0.4
162.09146	1.1
162.29367	0.4
163.03845	1.4
163.11179	0.5
173.13199	0.8
175.14769	0.7
176.15146	0.7
177.05429	1.5
180.06573	0.6
185.08392	0.9
186.05569	0.5
186.09113	1.1
188.07092	0.5
188.10658	0.9
190.08699	0.5
193.15883	0.6
194.16165	0.4
200.10669	0.5
200.14323	0.8
204.06532	3.1
205.07239	2.3
206.08199	1.1
211.16879	1.3
212.17215	1.3
214.12234	5.2
216.06534	0.7
216.13797	15.4
218.08156	0.8
218.15323	0.4
219.13832	1.6
230.08061	0.9
231.08977	0.5
232.11583	0.6
242.11787	1.1
242.15561	0.7
244.09607	0.9
244.10776	0.6
244.13292	8.5
244.17076	0.9
246.15099	0.6
248.11000	4.8
250.05258	0.5
255.80037	0.4
258.07693	0.4
258.11197	2.8
259.15347	1.4
260.12793	22.9
261.13242	0.4
266.10532	0.4
269.12973	0.4
270.15128	0.5
274.14642	0.9
276.10507	7.6
276.13623	0.8
278.11914	0.7
280.08200	1.3
286.14368	1.5
292.09970	23.6
293.17389	0.9
298.09256	0.5
302.12036	0.6
306.11603	1.1
309.12234	0.5
314.26889	0.6
315.27054	0.5
316.15451	1.4
318.11624	1.4
320.13205	1.1
332.27872	2.5
333.28244	4.0
334.16354	0.7
348.12549	1.4
353.11395	0.7
354.11581	1.3
355.12912	0.5
359.14224	0.5
364.22156	0.4
366.13751	1.3
375.13660	2.8
377.15253	1.4
405.14642	5.7
405.18909	0.6
408.96716	0.4
421.14203	31.7
422.14285	0.4
435.15744	2.8
447.15866	1.5
449.17343	0.5
462.52554	0.4
477.16623	1.9
477.28110	0.7
494.33084	0.4
495.17899	100.0
496.18130	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	495.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.3
57.82405	0.3
58.06599	0.4
58.99576	1.0
62.06083	0.4
64.73669	0.4
67.05496	0.7
69.07047	0.4
70.06574	0.3
70.91631	0.9
71.04966	0.4
79.05470	0.5
81.03397	0.4
81.07039	0.7
84.04464	0.4
85.02889	0.3
85.53835	0.3
86.09695	0.6
86.99039	0.5
87.02673	8.0
91.05444	0.8
93.07035	0.9
95.08585	0.8
97.02882	0.4
99.04424	0.5
100.11227	1.8
101.11595	0.4
103.05418	0.3
105.07007	0.6
107.04906	0.5
107.08529	0.6
109.02853	0.4
109.06515	0.5
109.10157	0.5
114.12759	0.4
116.01662	1.6
117.05722	0.5
119.08532	0.4
120.08099	0.7
121.10188	0.3
127.03978	0.4
132.08093	0.8
133.32031	0.3
134.06050	0.3
135.11681	0.4
136.07570	0.3
137.05984	0.5
144.01097	0.4
147.04405	0.9
160.07576	4.4
161.08374	2.6
162.09102	1.5
163.03908	0.5
174.09109	0.7
180.94745	0.3
185.08354	1.5
186.09134	0.8
187.56506	0.3
188.07045	0.6
188.10765	0.4
189.07825	0.4
190.08711	0.6
199.09901	0.5
200.14342	0.8
202.08653	0.4
204.06511	2.3
205.07298	2.3
206.08112	1.3
211.16885	0.7
212.10728	0.4
212.17244	1.0
214.08691	0.6
214.12225	5.6
216.06631	0.8
216.13812	13.7
218.08136	1.0
218.15218	0.4
219.13835	0.4
226.08392	0.3
229.07408	0.4
230.08087	1.0
231.08875	0.4
242.11685	1.5
244.09622	0.7
244.10786	0.4
244.13295	6.8
244.17004	0.6
244.75040	0.3
248.11006	5.2
258.07556	0.8
258.11252	2.4
259.15201	0.4
260.12781	15.8
270.14944	0.6
274.14624	0.4
276.10538	9.7
276.13760	0.7
278.11926	0.3
286.14343	1.2
288.15964	0.5
292.09967	27.7
306.11581	1.2
316.15509	0.8
318.11481	1.4
320.13089	0.8
334.16403	0.8
342.61261	0.3
346.11319	0.6
348.12674	1.6
350.73511	0.4
351.06314	0.3
359.14340	0.9
366.13681	1.1
375.13641	2.4
377.15240	1.3
403.12820	0.7
405.14517	5.0
421.14224	29.0
435.15744	2.1
447.15884	1.0
449.17355	1.1
477.16971	2.4
495.17880	100.0
496.18008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86032	2.6
53.03937	4.6
55.01867	7.8
55.05503	38.0
57.03413	3.1
57.07056	3.2
57.37773	2.4
67.05499	44.6
68.05824	2.9
69.03404	6.4
69.07061	14.6
71.04971	6.2
71.78680	3.4
71.79076	3.6
79.05485	42.1
81.03410	7.3
81.07045	40.0
82.07400	2.7
83.04977	14.8
83.08610	18.2
85.06492	3.5
91.05463	39.0
93.07030	36.1
94.07372	5.0
95.04965	12.2
95.08604	19.3
97.06531	5.3
97.10158	30.0
103.05457	12.2
105.07021	28.4
107.04935	5.0
107.08582	19.5
109.06490	5.2
109.10141	17.0
111.08091	5.0
115.05453	7.8
117.06995	42.1
119.08583	18.8
120.08891	3.0
121.06469	5.5
121.10119	11.1
125.09615	26.3
126.10095	2.6
129.06996	14.7
131.08566	27.7
133.06525	3.9
133.10095	9.2
134.10396	3.8
135.08015	7.5
135.11674	8.8
137.09680	3.9
141.06972	6.4
143.08566	10.9
145.06479	11.2
145.10132	12.0
147.07999	5.3
147.11682	9.5
149.09601	8.5
149.13211	5.5
153.09059	3.8
155.08566	11.7
157.06465	5.8
157.10097	5.9
159.11650	5.9
163.11316	3.0
167.08585	2.8
169.10173	8.5
171.11655	6.4
173.13263	4.6
181.10217	3.4
187.14777	8.0
189.11197	14.8
193.12297	5.0
197.13315	13.0
207.13708	3.1
215.14288	37.5
227.12691	26.9
264.00403	2.6
268.16312	3.6
269.17429	5.3
270.17740	5.0
282.17712	4.8
349.21582	5.9
367.22620	14.1
385.23801	10.6
403.24701	4.6
423.27203	4.1
441.26334	59.6
459.20911	4.7
459.27386	100.0
466.48413	3.3
476.31076	15.1
477.28741	15.8
494.27927	8.3
495.18906	3.8
495.29431	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	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01870	1.9
55.05499	9.8
55.45076	1.7
57.03421	2.5
57.07065	3.5
64.83957	1.6
67.05498	11.3
69.03419	6.4
69.07067	25.1
69.91826	1.6
70.06591	12.5
71.04984	5.3
71.79502	2.2
72.08145	3.8
79.05477	4.9
81.03404	8.5
81.07050	11.7
83.04980	6.5
83.08616	2.4
84.04484	2.4
84.08169	2.6
85.02894	17.4
86.09693	5.7
87.00868	2.1
90.57562	1.8
91.05491	10.8
93.07053	10.0
95.04958	2.8
95.08604	40.2
96.08114	3.5
97.02888	6.9
97.10156	2.0
99.04446	5.9
105.01869	3.3
105.07045	8.3
106.02937	3.4
106.06562	9.6
107.04940	2.2
107.08578	16.9
108.08122	3.6
109.02886	5.8
109.10155	25.6
111.08066	3.2
112.24210	1.6
113.09666	2.5
114.09159	4.2
116.79028	1.7
117.03387	4.1
119.04948	6.5
119.08581	33.2
120.08082	2.1
121.10143	8.9
122.06008	2.7
123.08058	6.2
123.11694	5.5
124.03946	5.2
124.07596	10.2
125.09644	12.2
127.03902	8.4
130.04936	2.0
133.10135	37.0
134.06026	8.8
135.04411	6.8
135.11702	14.6
136.03920	2.1
137.05956	4.3
137.09608	24.9
138.05515	2.2
140.07021	2.7
145.02856	5.5
145.04930	5.0
147.04408	7.8
147.11679	6.0
149.13272	3.4
151.07547	3.0
151.14824	4.7
152.07057	29.9
152.08200	2.8
153.12743	2.9
154.05009	3.3
155.10703	2.4
163.03891	33.8
165.16397	2.3
170.08093	19.5
175.03944	10.3
175.14819	100.0
176.15063	2.1
177.05441	2.9
183.06615	1.9
193.15874	82.8
204.06387	1.8
207.06508	31.1
211.16930	9.4
229.15599	2.9
231.04918	3.8
249.05905	2.6
262.93320	1.6
332.13510	2.9
336.10690	2.6
369.11557	3.1
476.15207	8.8
477.15741	2.6
494.16266	15.6
494.21686	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	494.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
55.01866	0.9
55.05476	0.7
64.71733	0.6
64.84144	0.4
65.03918	2.0
67.05470	0.9
67.60066	0.4
69.03410	2.1
70.23222	2.3
71.04982	0.7
72.08147	0.7
79.05474	6.5
81.03403	5.1
81.05762	2.3
81.07004	0.5
82.06569	0.9
83.04963	1.3
85.02891	2.9
89.03908	3.9
91.05477	1.0
92.04999	5.7
94.06513	1.3
95.04935	1.5
96.08109	5.0
97.02889	1.3
99.04437	0.7
106.02911	0.7
106.06536	38.9
107.04942	2.4
108.08100	13.8
109.02843	2.1
109.05211	1.4
110.96738	0.4
114.09141	1.7
117.03359	5.6
121.02804	2.5
122.05982	0.8
123.06788	5.4
124.03931	1.3
124.07566	27.1
127.03865	1.1
130.06506	0.6
130.08644	0.6
134.05988	23.5
135.04390	15.0
136.03893	1.6
136.06670	0.5
136.07515	2.6
137.05963	1.1
138.05461	0.9
145.02815	11.6
147.04404	0.9
152.07039	70.2
153.07462	0.7
154.04965	1.7
159.81726	0.4
160.07608	1.2
163.03873	100.0
164.04274	0.9
170.08099	51.2
170.55704	0.4
171.08456	0.5
175.03870	0.6
175.14894	0.6
177.01804	0.6
181.04968	1.0
186.05481	0.5
189.01823	0.5
195.02959	0.8
213.05498	0.8
215.03316	0.9
222.09143	0.5
223.02182	0.6
231.02847	1.1
233.39000	0.5
240.10208	0.7
241.04866	0.7
243.02908	2.6
250.08759	0.9
261.03870	0.8
268.09805	3.0
269.04535	0.6
296.09070	2.9
297.03879	0.8
307.07983	3.5
314.12933	2.6
325.09167	3.0
332.13382	8.4
339.04761	0.6
356.11115	0.8
357.06079	0.8
363.08505	1.1
375.07101	0.7
417.09760	0.7
458.14334	0.8
476.15463	20.3
477.11441	0.8
490.60883	0.6
494.16492	61.4
495.11740	0.8
495.18076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01868	3.2
55.05501	3.9
57.03415	1.2
57.07050	1.8
60.04507	0.8
61.02904	1.0
67.05479	1.8
68.04973	0.7
69.03416	7.0
69.07047	2.0
70.02947	1.9
70.03760	0.7
70.06572	2.6
71.78814	1.2
72.04505	10.8
72.08135	1.8
73.02894	4.3
79.05470	1.0
81.03420	4.4
81.07047	0.9
83.04960	1.9
84.04491	0.8
84.08104	3.0
85.02893	6.1
85.06526	3.0
86.06059	1.0
86.09683	2.4
87.08081	0.9
89.63091	0.8
90.05540	9.9
91.05430	0.8
93.03386	0.7
93.07016	0.9
94.06542	0.7
95.04960	3.2
96.08114	1.0
97.02876	5.4
98.02393	3.8
98.06104	0.9
99.04420	2.4
100.03971	2.5
103.03915	1.7
107.04954	1.2
108.04475	0.9
109.02867	7.0
110.06020	1.7
111.04441	1.8
112.07586	7.2
113.05963	2.8
114.09141	2.6
115.03985	0.7
116.03435	4.8
116.07106	0.7
119.04958	1.0
121.02845	0.8
122.02641	0.9
122.05956	0.7
123.04401	0.9
123.11759	0.6
124.07571	5.5
125.09608	0.7
127.03903	6.9
129.10182	1.0
130.08621	100.0
131.04880	1.3
131.08923	0.7
132.06601	1.3
133.02817	0.9
136.03932	3.7
137.05945	1.7
138.05478	1.2
140.07109	0.8
142.08618	11.4
145.02855	1.0
145.04948	7.0
147.04362	1.4
152.07018	1.0
154.04990	2.4
160.09656	2.6
161.05966	0.7
163.03889	4.2
164.04248	1.0
166.08632	1.6
168.06609	1.4
169.04933	1.3
172.09618	1.0
174.11241	1.2
181.04962	2.8
184.06020	1.5
184.09671	9.7
187.05887	1.2
191.03349	0.9
191.14226	1.4
192.14612	1.5
202.07094	1.4
202.10703	9.4
205.04774	1.3
207.02844	1.2
209.15385	1.9
210.15755	2.0
216.08673	0.8
216.50365	0.6
217.28624	0.7
219.02838	3.6
225.03833	1.0
226.07101	1.3
234.09686	4.2
237.03926	2.9
244.08110	2.4
256.66733	0.7
261.03918	2.4
273.03799	0.9
292.13824	3.9
303.04901	1.1
321.06390	1.0
328.13898	1.4
343.08072	0.7
346.14993	2.6
355.08145	1.6
363.17557	77.6
364.17834	1.9
373.15945	1.7
409.09201	0.9
475.22815	50.4
476.23257	1.6
493.16611	2.4
493.23523	1.4
494.17282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01859	1.7
55.05497	9.9
57.03416	2.9
57.07044	3.4
65.03925	1.3
67.05495	12.2
68.05804	1.4
69.03421	4.4
69.06728	1.4
69.07059	17.2
70.06576	1.0
70.07359	1.1
71.04967	4.8
71.80155	1.5
73.02896	2.2
77.03887	1.3
78.03336	1.1
79.05479	11.6
79.40291	1.0
81.03398	5.4
81.06597	1.7
81.07042	23.5
81.07520	1.1
82.07358	1.5
83.04970	3.0
83.08606	11.9
85.02883	6.5
85.06496	1.8
91.05458	9.6
92.05788	1.3
93.07026	25.5
94.07361	1.0
95.04945	4.0
95.08589	63.4
96.08923	2.8
97.02851	5.2
97.06523	1.8
97.10143	4.2
99.04430	2.7
99.08042	2.0
101.02360	4.7
103.17111	0.9
105.07008	11.5
107.04971	1.9
107.08575	57.8
108.08897	3.7
109.02842	3.6
109.06470	3.7
109.10135	21.0
110.10458	3.5
111.08033	1.9
111.11741	1.0
117.06984	1.2
118.07327	1.0
119.03397	32.6
119.08550	10.6
120.08906	3.1
121.06446	1.8
121.10121	91.7
122.10452	4.2
123.08035	9.5
123.11681	32.9
123.12601	1.3
124.08369	2.9
124.12024	2.7
125.09602	4.4
126.09821	1.0
127.03891	7.3
127.11163	1.8
129.07010	1.5
130.08644	1.0
131.08524	2.7
132.08873	1.5
133.10098	7.4
134.10411	1.9
135.08063	1.2
135.11665	22.7
136.11981	3.2
137.05910	2.3
137.09566	3.2
137.13226	24.1
137.26962	0.9
138.09935	1.8
139.11150	8.7
142.56363	1.1
143.08517	1.4
145.04930	3.3
145.10104	4.3
146.10420	1.7
147.07999	1.3
147.11653	3.8
148.11969	2.2
149.09546	1.5
149.13260	10.6
157.10098	1.8
159.11659	2.6
160.11983	2.1
161.13210	3.3
163.11157	1.2
163.14780	1.7
164.11522	1.2
169.09996	1.0
171.11693	1.4
173.04402	1.3
173.09818	1.0
173.13202	2.0
174.13530	1.6
175.14815	2.3
176.15160	1.3
177.16351	100.0
179.10655	1.3
186.13513	1.3
189.16374	2.2
191.17865	1.3
195.17406	28.2
196.17876	1.0
201.16357	1.9
203.17902	1.9
204.18150	1.9
213.16373	1.5
215.14211	1.1
215.17944	1.1
233.15298	1.0
245.06512	3.4
251.11848	1.5
263.07617	8.4
263.11838	1.7
265.13251	2.5
277.42145	1.0
309.12238	3.5
312.25232	0.9
337.11639	1.3
349.21304	1.0
368.22778	1.8
369.14478	6.3
370.15045	1.2
371.16098	1.8
386.23721	1.1
432.19049	1.9
438.34171	3.7
456.35367	21.3
460.18307	2.6
460.27835	4.5
463.49115	1.0
473.17221	1.0
473.36188	2.3
474.36520	53.2
475.26328	1.0
492.21091	2.3
492.29895	3.0
492.36356	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	492.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01850	1.0
55.05500	3.1
57.03435	1.7
60.04501	1.2
65.03931	1.2
67.05479	2.7
69.03423	7.8
69.07059	2.4
69.67395	7.9
69.67707	1.0
70.06577	1.8
72.08152	4.7
73.02884	1.0
78.03448	7.4
79.05510	4.7
80.05006	2.4
81.03410	14.2
81.07050	3.6
83.04944	1.3
84.04473	0.9
84.31884	0.9
85.02895	9.3
86.09694	2.6
91.05471	9.2
93.07036	3.3
95.04964	3.3
95.08614	3.7
96.04487	4.5
97.02875	5.3
97.06526	1.5
99.04442	2.7
103.05497	1.2
104.07081	1.2
105.07022	14.6
106.02902	36.1
107.08590	8.6
109.02856	9.1
109.06544	2.1
110.06160	1.0
114.09163	1.9
114.12798	4.0
115.05419	1.1
117.07018	3.1
119.08568	20.3
120.08141	1.0
121.06495	1.2
121.10123	6.2
123.08067	1.9
123.11697	1.7
124.03934	100.0
125.04311	1.3
127.03898	4.4
128.06203	1.8
129.07018	2.3
130.07780	1.8
131.04863	0.9
131.08557	7.8
133.06461	5.7
133.10123	5.4
135.08058	2.1
137.05968	9.9
138.05484	1.1
141.06998	1.8
145.04887	1.9
145.06487	1.2
145.10101	15.6
147.04430	1.4
147.07991	5.5
147.11674	19.7
149.09633	2.2
151.07541	3.1
156.09309	5.4
159.07993	1.7
159.11505	1.1
161.09634	1.3
161.13266	1.4
163.03908	1.3
163.11201	1.2
166.04929	1.3
166.08623	2.7
171.11679	6.0
173.13148	1.0
174.10379	1.4
177.05437	1.9
177.09167	1.3
178.09959	1.6
179.14326	7.1
181.08531	2.2
188.14342	1.6
189.12709	49.1
191.14317	2.6
194.09393	2.4
207.13779	9.2
208.06148	1.1
209.08069	2.0
209.11690	11.9
209.15317	2.2
221.05916	1.3
232.05994	1.4
250.07115	10.3
263.22064	0.9
268.08115	52.4
286.09131	13.3
287.05338	1.6
288.05902	2.0
315.05066	1.2
331.08054	5.8
333.11438	1.3
376.18970	1.1
383.14600	1.2
408.19138	1.2
447.69867	1.0
474.21164	44.0
474.36142	2.2
492.31326	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	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
55.08479	0.4
63.02342	0.4
69.03401	1.2
69.07033	0.7
70.06589	1.1
71.04960	0.6
71.79224	0.5
81.03382	1.8
81.07050	0.6
83.04936	0.4
84.08129	0.5
85.02888	1.3
86.06019	0.6
86.09698	0.7
89.03912	3.6
91.05445	1.7
95.04947	0.8
97.02868	0.7
99.04437	0.6
101.06001	0.6
103.05472	0.6
106.06534	0.5
107.04899	0.7
108.08102	0.8
109.02858	1.3
109.94801	0.4
114.09167	1.3
117.03367	13.3
119.04902	1.2
120.08067	0.5
121.06477	0.5
123.04426	0.5
124.03943	0.7
124.04982	0.5
124.07568	0.7
127.03867	1.0
130.08624	1.1
131.04834	0.6
133.02875	0.4
134.03603	0.7
134.05943	0.7
135.04398	1.1
137.05988	2.1
145.02827	40.2
146.02026	0.4
146.03201	0.6
146.08087	0.5
147.04413	2.2
149.05959	5.4
151.07555	1.1
152.07053	1.2
157.06450	1.5
160.09657	0.7
161.05986	0.8
162.06781	0.7
163.03899	1.2
168.06615	0.6
175.03874	0.8
175.07457	0.8
177.05444	100.0
178.05795	1.1
181.08585	1.4
187.07468	2.3
191.08464	0.4
191.14304	0.5
194.08162	0.6
195.06485	1.5
195.08093	0.5
207.06468	3.0
209.15286	0.4
220.08719	0.7
236.08203	0.7
236.14368	0.4
252.09636	0.9
260.59723	0.5
268.10989	2.1
276.62277	3.3
277.12329	1.3
285.13577	6.3
285.63727	1.5
313.12830	0.7
321.09625	2.0
329.81943	0.5
339.10727	5.1
349.62698	0.4
473.67554	0.5
492.14755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	4.4
69.03410	1.5
69.07056	0.9
70.06568	1.8
70.69756	2.4
75.00285	0.7
81.03420	1.5
82.06562	2.3
85.02888	3.6
86.09686	0.7
91.05444	0.9
97.02875	1.7
103.65294	0.8
107.04925	0.8
109.02840	1.1
114.09163	1.4
115.05453	1.1
117.05752	0.9
118.06536	16.7
121.92139	0.7
123.04408	2.2
124.03937	0.8
126.05506	3.4
127.03919	1.6
130.06493	1.7
130.08620	0.9
132.08081	5.0
135.04434	1.0
137.05965	0.9
140.07037	3.1
142.06506	1.6
143.04892	1.7
143.07314	2.2
144.08057	12.4
145.02823	0.7
146.05998	59.9
146.08009	2.5
147.04376	1.4
159.09129	5.0
161.05927	2.4
163.03885	5.7
167.07014	1.6
168.06573	5.1
170.06017	4.0
175.07480	1.2
188.07053	100.0
189.05475	3.0
189.07297	1.2
193.04912	1.2
205.09714	45.8
213.05484	1.4
217.04863	0.9
231.06587	1.0
235.06018	5.5
237.02727	0.8
244.91042	0.7
259.06058	1.4
275.45184	0.8
277.07001	1.6
281.14456	0.7
295.08124	3.1
492.22397	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	491.3726
Annotation	Barringtogenol C
Peak:m/z	Relative Intensity
53.03920	1.2
55.01841	0.8
55.05494	5.3
57.03421	1.0
57.07051	1.6
59.04992	0.7
65.03924	1.0
67.05491	8.2
69.03402	2.3
69.06721	0.8
69.07060	6.9
70.06567	0.8
71.04981	4.4
71.12768	1.4
79.05477	7.1
81.03379	1.6
81.07040	14.7
83.04979	3.0
83.08602	3.7
84.08137	0.5
85.02895	1.1
85.06530	1.4
91.05470	7.1
93.07030	15.8
94.07373	0.8
95.04936	3.7
95.08588	19.4
96.08914	0.7
97.06520	2.3
97.10154	1.7
99.08064	1.0
103.05461	0.8
105.07016	12.2
107.04925	2.7
107.05580	0.6
107.08574	21.5
108.30312	0.6
109.02874	0.7
109.06493	3.4
109.10139	17.2
111.08056	2.7
111.11683	0.6
113.09586	0.5
117.07007	2.4
119.04912	0.8
119.08570	13.4
120.08089	1.3
121.06491	3.7
121.10120	17.5
123.08055	4.4
123.11687	9.2
125.05953	0.6
125.09608	5.0
127.03895	1.4
127.07559	0.7
127.11160	2.3
129.06981	1.2
131.08553	4.9
133.09190	0.5
133.10101	14.1
135.08043	2.5
135.11667	15.0
137.05946	2.6
137.09601	2.7
137.13274	2.8
139.07487	0.7
139.11156	1.4
141.12718	1.1
143.08598	3.0
143.10643	3.1
145.06471	1.2
145.10110	7.9
147.04398	1.6
147.08005	1.4
147.11647	9.8
149.09586	2.2
149.13222	5.0
151.07530	1.2
151.11154	1.4
153.12721	1.4
155.08554	1.1
157.10059	3.7
158.10846	0.8
159.08066	0.8
159.11681	7.6
161.09619	2.1
161.13222	6.7
163.03889	1.1
163.07494	1.0
163.11163	1.7
163.14789	3.9
165.09076	1.4
165.12704	0.8
167.07047	1.0
167.10593	1.2
169.10152	1.3
171.11594	3.6
173.13258	5.8
175.07547	1.0
175.11183	1.4
175.14752	3.6
177.16344	3.1
179.14255	1.0
181.12328	0.8
183.11627	1.5
185.09563	0.8
185.13284	2.9
187.14804	4.4
189.11159	1.1
189.12741	0.8
189.16368	3.7
191.07072	1.0
191.08676	0.6
191.10608	1.1
191.14278	1.3
191.17961	2.4
193.12120	0.8
195.11702	0.9
197.13235	1.4
199.14754	1.5
201.12712	1.0
201.16379	3.3
202.97337	0.7
203.14349	0.8
203.17950	4.2
205.15926	0.9
209.13335	0.9
211.14850	1.5
213.12729	0.7
213.16374	1.7
215.17902	1.3
217.19508	1.3
219.13705	1.6
225.16376	1.2
227.18033	0.7
231.17320	0.8
233.15385	0.9
235.16733	0.9
239.17775	0.9
241.19630	0.7
243.21118	0.8
247.16978	2.1
249.18452	1.0
265.13229	0.8
275.20184	0.8
287.19922	0.9
309.12231	0.8
310.34964	0.6
311.13025	1.6
315.23138	2.2
334.46570	0.7
339.13400	1.2
367.12875	1.0
369.14590	1.1
369.27527	0.8
385.23627	1.0
395.32947	1.7
400.16422	0.7
409.34439	1.7
413.34000	0.7
418.17560	0.9
419.32941	1.7
437.34097	7.4
455.35080	19.8
459.17728	1.1
459.27396	3.1
473.36185	100.0
474.36710	4.1
491.19839	1.9
491.25815	1.5
491.29547	2.6
491.35855	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	491.3725
Annotation	anagalligenin A
Peak:m/z	Relative Intensity
53.03910	1.5
55.05499	5.3
57.07073	1.1
67.05492	9.7
69.07048	4.5
71.04993	7.2
79.05483	7.8
81.03394	1.9
81.07049	18.4
83.04985	2.2
83.08598	4.8
85.06531	2.2
91.05464	8.3
93.07035	14.2
95.04957	3.2
95.08591	16.5
97.02879	1.8
97.06492	1.6
97.10153	2.8
98.21452	3.1
99.08075	4.8
105.07024	14.8
107.04911	1.6
107.07896	1.9
107.08580	25.3
109.06495	2.8
109.10159	14.1
111.08081	1.7
117.07003	2.1
119.08567	13.4
121.06477	2.4
121.09336	1.9
121.10127	15.9
123.08094	1.5
123.11703	6.0
125.09605	8.2
127.11201	2.2
130.07681	1.1
131.08554	5.7
133.10106	13.2
135.08020	5.7
135.11667	8.3
137.09598	4.2
137.13255	1.5
143.08553	2.8
143.10675	7.9
145.10117	11.6
147.04413	1.8
147.11659	10.8
149.09589	12.4
149.13243	10.6
151.11176	2.9
155.08549	1.5
157.10129	4.7
159.11702	8.4
161.09607	2.4
161.13237	11.1
163.11186	2.7
163.14764	1.5
171.11682	3.0
173.13232	6.4
175.14774	4.0
177.16383	3.0
179.14314	1.3
183.11688	1.5
185.13200	2.3
187.14828	3.4
189.16328	8.6
191.17899	2.0
197.13354	1.1
199.14795	3.5
201.12733	1.2
201.16347	4.2
203.17839	1.8
205.15884	4.6
207.17453	3.6
209.13326	1.4
213.16318	3.3
215.14288	1.4
215.17961	3.2
217.15829	4.8
219.17430	1.5
229.56021	1.3
231.17403	4.5
233.15356	2.6
235.16814	1.3
239.39046	1.1
249.18430	1.5
253.19508	1.1
269.18857	1.4
282.79480	1.1
309.25775	1.2
330.69070	1.1
379.29901	2.9
397.30917	4.8
407.33206	1.9
419.33249	5.3
425.33829	2.6
437.34155	8.9
455.35294	16.8
473.36215	100.0
474.36435	4.8
491.36514	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3722
Annotation	anagalligenin A
Peak:m/z	Relative Intensity
55.05497	3.5
57.07058	1.5
67.05492	6.2
69.03432	0.9
69.07049	2.8
71.04980	8.5
79.05482	5.2
81.07040	11.4
83.04967	1.9
83.08614	1.4
85.06534	1.9
91.05460	4.4
93.07030	11.4
95.04954	1.7
95.08582	12.8
97.06495	1.0
97.10149	1.8
99.08080	3.4
105.07014	11.4
107.08574	19.7
109.06496	2.0
109.10133	9.9
111.08070	1.4
119.08556	9.2
121.10108	16.0
123.08041	2.2
123.11679	4.0
125.09605	7.5
127.07533	1.6
127.11172	2.6
127.68937	0.6
129.06940	0.9
131.08559	5.4
133.10101	13.1
135.08014	4.7
135.11671	4.8
137.09595	2.6
137.13164	1.1
139.11076	1.6
141.12698	0.7
143.08563	1.3
143.10654	12.1
145.10103	11.7
147.11661	7.5
149.09596	11.5
149.13234	9.5
151.11177	2.8
157.10107	3.7
159.11668	8.2
161.09573	1.1
161.13210	10.6
163.11163	1.2
163.14833	1.9
171.11664	3.0
173.13234	6.4
175.11119	1.0
175.14838	3.0
176.15070	0.7
177.12779	1.2
177.16354	4.4
183.11749	0.9
185.13251	2.4
187.14767	4.1
189.16350	8.9
191.14175	1.1
191.17960	0.9
197.13193	1.0
199.14751	3.7
201.16411	3.8
203.17982	1.6
205.15810	3.0
207.17322	3.9
211.14684	0.9
213.16296	3.2
215.14462	0.9
215.17937	2.9
217.15866	5.5
217.19545	0.8
219.17406	0.9
223.14951	0.9
227.17973	1.0
229.16042	1.4
229.19537	0.8
231.17375	4.4
233.15388	1.7
235.16994	1.8
239.17917	0.9
245.18852	0.9
249.18411	1.3
367.29922	1.1
379.29877	2.1
385.30753	1.1
397.30911	4.9
407.33035	2.9
419.33057	5.8
425.33917	5.0
437.34082	9.9
455.35107	13.1
465.25739	0.7
473.36166	100.0
474.36615	3.8
491.36667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.9
55.54311	0.5
57.03422	0.6
57.07068	1.3
58.11478	0.6
65.03955	0.6
67.05487	5.5
69.07053	5.9
70.98846	1.4
71.04980	4.3
71.97411	0.6
77.03905	0.5
79.05479	4.5
81.07040	11.5
82.07453	0.6
83.04954	1.3
83.08600	2.0
85.02880	0.6
85.06528	1.0
89.10174	0.6
91.05461	5.8
93.07027	12.8
95.04951	1.8
95.08595	15.5
97.06500	1.7
97.10157	2.4
99.08056	1.6
102.44540	0.6
105.07022	7.3
106.07316	0.7
107.08571	16.8
109.06487	1.6
109.10137	13.9
111.08066	1.6
111.26709	0.6
113.09647	0.9
117.06948	1.3
119.08561	13.1
120.08078	0.7
120.08885	1.2
121.06464	1.7
121.10126	14.9
123.08038	2.0
123.11675	10.2
125.09599	3.6
125.78510	0.7
127.11172	2.1
129.07022	0.9
131.08562	3.9
133.10109	14.0
135.08041	1.7
135.11670	12.5
136.11958	0.6
137.09595	2.4
137.13188	2.0
138.09973	1.1
141.12692	0.8
143.08545	1.7
143.10606	3.0
145.10092	6.2
147.04359	1.1
147.08035	1.3
147.11658	7.2
149.09673	1.3
149.13254	4.8
151.10994	0.7
153.12773	1.2
157.10095	3.3
158.96634	0.6
159.08043	0.9
159.11667	5.8
161.09622	1.1
161.13239	7.3
162.13684	0.6
163.11148	1.1
163.14819	3.8
165.09111	1.0
169.10135	1.0
171.11623	3.2
173.09593	1.0
173.13246	5.1
175.11174	1.8
175.14799	2.8
177.12785	0.8
177.16371	2.2
179.10695	0.7
179.14236	1.0
183.11589	1.3
183.98299	0.6
185.09685	0.9
185.13232	2.4
187.14859	3.8
189.16397	3.2
191.14273	1.2
191.17947	2.1
195.11723	0.8
197.13258	1.5
199.14830	1.9
201.16365	2.8
203.14281	0.8
203.17969	4.3
205.16145	0.7
207.13684	0.7
209.13245	0.9
211.14845	0.8
213.16348	0.7
215.17972	1.4
217.19609	1.3
219.13770	0.6
219.17639	0.7
221.18988	0.9
223.19183	0.6
227.17819	0.7
229.15919	0.8
231.17467	0.7
233.15390	0.8
245.15440	1.1
247.16905	1.2
249.18352	0.8
255.21092	1.2
271.20499	0.9
273.22021	1.0
275.20148	1.0
280.83148	0.6
285.22015	0.9
301.21652	1.3
303.23331	1.0
311.23715	0.7
315.22971	1.5
353.24875	0.8
395.33420	1.0
399.05331	0.6
409.34689	1.6
419.32996	1.5
432.97977	0.6
437.34076	6.6
454.97485	0.8
455.35123	17.4
459.27325	1.1
473.36191	100.0
474.36496	3.9
491.30417	1.2
491.36563	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3725
Annotation	Barringtogenol C
Peak:m/z	Relative Intensity
55.05504	2.9
55.54311	0.5
57.03422	0.6
57.07068	1.3
58.11478	0.6
65.03955	0.6
67.05487	5.5
69.07053	5.9
70.98846	1.4
71.04980	4.3
71.97411	0.6
77.03905	0.5
79.05479	4.5
81.07040	11.5
82.07453	0.6
83.04954	1.3
83.08600	2.0
85.02880	0.6
85.06528	1.0
89.10174	0.6
91.05461	5.8
93.07027	12.8
95.04951	1.8
95.08595	15.5
97.06500	1.7
97.10157	2.4
99.08056	1.6
102.44540	0.6
105.07022	7.3
106.07316	0.7
107.08571	16.8
109.06487	1.6
109.10137	13.9
111.08066	1.6
111.26709	0.6
113.09647	0.9
117.06948	1.3
119.08561	13.1
120.08078	0.7
120.08885	1.2
121.06464	1.7
121.10126	14.9
123.08038	2.0
123.11675	10.2
125.09599	3.6
125.78510	0.7
127.11172	2.1
129.07022	0.9
131.08562	3.9
133.10109	14.0
135.08041	1.7
135.11670	12.5
136.11958	0.6
137.09595	2.4
137.13188	2.0
138.09973	1.1
141.12692	0.8
143.08545	1.7
143.10606	3.0
145.10092	6.2
147.04359	1.1
147.08035	1.3
147.11658	7.2
149.09673	1.3
149.13254	4.8
151.10994	0.7
153.12773	1.2
157.10095	3.3
158.96634	0.6
159.08043	0.9
159.11667	5.8
161.09622	1.1
161.13239	7.3
162.13684	0.6
163.11148	1.1
163.14819	3.8
165.09111	1.0
169.10135	1.0
171.11623	3.2
173.09593	1.0
173.13246	5.1
175.11174	1.8
175.14799	2.8
177.12785	0.8
177.16371	2.2
179.10695	0.7
179.14236	1.0
183.11589	1.3
183.98299	0.6
185.09685	0.9
185.13232	2.4
187.14859	3.8
189.16397	3.2
191.14273	1.2
191.17947	2.1
195.11723	0.8
197.13258	1.5
199.14830	1.9
201.16365	2.8
203.14281	0.8
203.17969	4.3
205.16145	0.7
207.13684	0.7
209.13245	0.9
211.14845	0.8
213.16348	0.7
215.17972	1.4
217.19609	1.3
219.13770	0.6
219.17639	0.7
221.18988	0.9
223.19183	0.6
227.17819	0.7
229.15919	0.8
231.17467	0.7
233.15390	0.8
245.15440	1.1
247.16905	1.2
249.18352	0.8
255.21092	1.2
271.20499	0.9
273.22021	1.0
275.20148	1.0
280.83148	0.6
285.22015	0.9
301.21652	1.3
303.23331	1.0
311.23715	0.7
315.22971	1.5
353.24875	0.8
395.33420	1.0
399.05331	0.6
409.34689	1.6
419.32996	1.5
432.97977	0.6
437.34076	6.6
454.97485	0.8
455.35123	17.4
459.27325	1.1
473.36191	100.0
474.36496	3.9
491.30417	1.2
491.36563	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3001
Annotation	Spongianolide E
Peak:m/z	Relative Intensity
53.03934	0.6
55.01860	0.8
55.05272	0.5
55.05506	7.8
55.13050	0.3
57.03435	2.5
57.07054	1.7
64.48743	0.3
65.03912	1.0
67.05134	0.6
67.05497	11.8
69.03404	0.6
69.07059	11.7
71.04976	2.1
71.08586	0.5
71.79429	0.6
73.02905	0.3
77.96942	0.4
79.05479	5.9
81.03392	1.1
81.07044	15.9
83.04957	1.1
83.08160	0.6
83.08607	7.2
85.06519	1.6
91.05470	12.3
93.06494	0.6
93.07032	7.0
95.04972	1.9
95.08599	13.9
96.08899	0.4
97.06529	2.1
97.10156	5.1
99.08089	1.4
105.07020	4.7
107.04907	0.7
107.08576	6.6
108.08869	0.5
109.06506	1.0
109.09486	0.6
109.10143	6.5
111.08055	1.0
111.11682	1.9
117.07000	1.2
119.04930	21.0
119.08553	4.3
121.10112	6.3
123.04432	0.7
123.08046	1.2
123.11697	3.3
125.09621	1.4
125.13300	0.5
127.07557	0.5
127.11152	0.5
129.05461	0.4
129.06969	0.8
131.08528	1.2
133.10127	4.0
135.08029	0.9
135.11674	5.5
137.09584	1.9
137.13245	1.4
139.11140	1.0
143.08582	0.7
143.10640	0.5
145.10088	2.0
147.04390	100.0
147.11668	3.2
148.04738	1.8
149.09589	0.8
149.13210	1.9
151.11224	0.9
151.14819	0.6
153.12694	0.8
157.10124	1.0
159.11653	1.4
161.09535	0.5
161.13280	2.5
163.11066	0.5
163.14796	0.6
165.05461	9.7
165.12746	1.0
167.45949	0.4
171.11665	0.5
173.13232	1.4
175.11168	0.4
175.14830	1.2
179.14291	0.8
183.11652	0.5
185.13245	0.5
187.14847	0.7
189.16379	1.5
193.19543	0.6
199.14771	0.6
201.16357	0.7
205.15839	0.4
217.19501	4.1
221.08131	0.8
221.33168	0.3
235.20502	4.2
243.06328	0.4
243.08701	1.1
253.21553	2.1
291.23071	0.8
309.24152	2.6
327.25266	20.8
328.25427	0.7
378.15207	0.6
437.34521	0.6
455.35107	1.3
459.89203	0.4
473.29117	1.6
473.36157	6.7
491.29688	3.5
491.35880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2995
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
52.68277	1.9
53.03924	6.7
55.01863	3.5
55.05264	2.6
55.05501	27.6
57.03431	13.1
59.04992	2.5
65.03927	2.4
67.05175	3.0
67.05496	39.2
67.06551	2.0
69.03404	7.6
69.07056	13.7
70.38680	2.0
70.81112	8.1
71.04983	5.7
79.05479	50.6
81.03407	55.1
81.04189	2.4
81.06603	3.4
81.07048	53.1
83.04951	11.2
83.08603	20.8
85.02914	2.5
85.06503	3.5
91.04907	4.2
91.05465	77.7
93.06496	3.4
93.07033	49.0
95.04939	23.9
95.08593	25.6
97.02863	8.2
97.06503	3.9
97.10165	12.7
99.08055	2.9
105.07011	43.5
107.04926	7.8
107.08579	25.6
109.02852	3.2
109.06483	7.9
109.10128	13.5
111.04423	5.2
111.08041	8.1
115.05424	3.1
117.06988	20.0
119.04942	2.4
119.08574	34.8
121.06483	5.5
121.10122	9.7
123.08043	4.9
123.11687	12.2
124.08289	1.9
125.09594	12.8
127.03894	2.6
128.06212	4.8
129.06969	24.4
131.08546	21.1
133.06468	3.1
133.10109	19.1
135.08038	4.6
135.11650	7.3
136.73598	2.0
137.09598	3.2
137.13148	2.5
138.06190	2.0
141.06952	4.5
142.07802	3.1
143.08530	12.8
143.10638	2.0
145.06511	4.1
145.10117	11.3
147.08031	4.9
147.11644	21.9
149.09566	5.3
149.13239	2.4
155.08499	5.6
157.10159	12.3
159.11702	2.8
161.13248	10.8
163.11145	2.5
169.10103	4.5
171.08009	4.8
171.11635	18.8
173.13190	3.6
175.11201	5.1
185.13156	6.3
187.13234	8.4
187.14786	2.9
189.11151	5.1
189.12691	5.7
189.16391	3.0
193.12213	17.3
199.14560	2.6
201.16432	3.4
205.15836	2.3
207.13777	19.8
209.13341	2.7
211.14964	3.1
221.68190	1.9
223.04376	2.0
225.14830	2.1
227.12830	9.4
229.15785	3.4
231.13818	5.3
243.15805	5.2
249.14746	11.8
267.15891	38.2
277.18008	2.6
281.17401	36.7
297.62402	2.2
305.17389	8.2
338.38110	2.2
363.23190	5.4
381.24109	6.7
399.25061	5.7
403.24490	3.0
410.27551	3.3
417.26337	2.7
437.34302	2.4
445.29489	2.6
455.27954	4.0
455.34845	4.4
473.28821	100.0
473.36011	28.0
474.29388	3.4
491.29880	11.1
491.36108	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	491.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
63.47128	0.4
67.05487	0.4
68.05015	3.7
69.03419	0.4
69.05450	0.4
69.05799	1.9
69.07047	4.8
70.06583	23.2
70.23416	2.4
71.04973	0.6
71.07349	0.8
79.05445	0.6
81.07032	0.8
85.02896	0.5
86.09692	47.9
91.05476	2.1
93.07007	1.7
95.04992	0.7
95.08565	1.0
95.75343	0.5
98.21375	0.6
101.72199	0.4
103.05450	3.7
105.07005	0.6
106.06535	0.7
107.04934	0.4
107.08583	1.0
109.06486	0.5
109.10104	0.6
119.08584	0.9
120.08083	100.0
121.08432	0.7
121.10142	1.0
123.11613	0.6
124.03933	5.6
127.42559	0.4
132.08063	1.6
133.10130	0.8
134.05988	39.3
135.06789	8.0
135.11639	0.5
136.07545	0.9
137.05952	1.1
145.10068	0.6
146.81329	0.4
147.11658	1.0
155.14246	0.5
157.06519	0.6
159.07988	1.1
160.07484	0.6
163.08643	1.0
167.06984	0.5
169.06465	1.0
171.10406	1.5
171.48596	0.5
172.11183	2.1
174.09108	18.8
186.09120	11.1
202.08632	0.5
203.11761	20.9
209.12827	1.7
212.74875	0.5
231.11276	2.0
281.12802	2.8
282.13538	0.9
283.14291	1.0
316.20102	1.0
321.15826	0.9
344.19662	2.8
350.18576	26.2
351.19284	0.5
378.18054	100.0
378.63864	0.5
379.18268	2.2
380.46469	0.5
432.87601	0.4
455.35043	0.8
463.26889	0.5
467.92853	0.5
473.36200	3.0
491.26428	22.2
492.26157	0.8
507.26608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92023	0.2
55.01864	0.4
55.05503	5.1
56.05039	0.3
62.09439	0.1
68.05029	0.2
69.05805	0.3
69.07063	0.3
69.25812	0.2
70.06580	4.5
71.07365	3.1
71.19088	0.5
72.08157	0.2
78.92462	0.1
81.07030	0.3
86.09692	100.0
87.10014	0.5
91.05462	0.6
93.07015	0.4
95.08563	0.2
97.02875	0.2
103.05448	0.4
104.70930	0.2
107.08542	0.2
108.86283	0.2
119.08577	0.2
120.08083	13.8
124.03919	1.4
129.07004	0.2
131.07306	0.5
131.08549	0.3
132.08102	0.2
134.05989	6.8
135.06804	1.4
136.07629	0.2
137.05984	0.4
141.06984	0.2
146.05988	0.3
147.04370	0.2
151.07568	0.2
159.08066	0.3
160.07512	0.2
161.47176	0.2
167.07050	0.4
169.06526	0.2
171.10371	0.2
172.11264	0.2
174.09116	2.9
177.09058	0.2
186.09111	4.8
186.10658	0.3
199.98619	0.2
203.11760	3.0
231.11296	1.3
231.43811	0.2
235.08658	0.2
237.24171	0.2
249.10106	0.3
259.10788	0.4
278.10648	0.2
281.12836	0.5
287.05453	0.5
336.16739	0.2
344.19806	0.5
350.18610	4.6
353.11157	0.6
378.18066	22.4
379.18359	0.6
473.36349	0.3
491.26453	12.5
492.26685	0.4
501.87909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01844	3.9
55.05489	17.9
57.03423	10.6
57.07059	3.5
61.95964	1.5
65.03933	2.4
67.05492	48.8
69.03407	4.3
69.07049	20.4
70.83112	3.0
71.04987	13.4
73.02897	1.9
79.05476	53.9
81.03394	4.1
81.07040	79.1
82.07371	2.0
83.04971	7.8
83.08591	14.6
85.02890	9.0
85.06520	15.4
91.05457	32.0
93.07025	73.6
94.07343	2.1
95.01320	7.9
95.04939	9.1
95.08586	82.5
96.08897	1.5
96.83372	1.6
97.02860	3.0
97.06515	11.8
97.10156	8.8
99.08076	16.6
105.07014	37.6
106.07329	1.7
107.04932	7.5
107.08569	60.4
109.06502	9.5
109.10134	43.3
111.08067	6.5
111.11667	2.4
113.02343	3.0
113.09651	5.4
114.12779	23.0
117.06993	14.7
119.08560	31.8
121.06490	7.6
121.10120	79.8
122.10452	2.2
123.04435	1.8
123.08037	23.0
123.11663	14.5
125.09615	9.1
127.11119	2.1
129.05434	3.9
129.06976	3.7
131.04924	2.6
131.08546	45.3
133.10101	29.6
135.08028	12.7
135.11681	19.0
137.05934	2.9
137.09547	9.9
137.13257	4.0
138.09932	2.7
139.11166	4.6
141.01817	8.0
143.08540	6.6
143.10663	1.7
145.04904	2.0
145.06439	2.2
145.10098	40.4
147.08032	2.6
147.11655	14.4
149.09593	12.6
149.13228	9.1
151.14781	1.9
153.09091	3.2
157.10114	3.6
158.10928	1.9
159.11670	21.0
161.09625	3.4
161.13245	13.0
163.11157	3.6
163.14784	13.6
165.12709	1.8
167.10591	2.7
167.14326	1.7
171.11623	3.7
172.12440	1.6
173.09546	2.3
173.13234	6.1
173.40555	1.6
175.11256	2.1
175.14850	3.3
177.12695	4.7
177.16342	12.4
179.10628	1.9
185.13232	3.1
187.14786	100.0
188.15218	2.6
189.16425	3.0
191.14320	2.5
191.17863	3.1
197.13248	2.2
199.14775	3.7
201.16347	1.7
203.17946	2.0
205.15840	89.0
206.16171	1.9
207.17389	2.9
209.13310	1.9
219.13918	2.5
220.97536	1.6
223.16881	17.2
241.17931	2.6
247.16853	2.7
267.37982	1.6
279.19672	7.1
293.28253	2.6
297.20569	82.8
298.21149	2.5
315.21576	3.9
338.05051	1.8
367.22610	5.4
385.23553	5.8
423.66812	1.6
437.34094	7.5
455.22620	1.8
455.35074	29.4
459.27298	13.7
473.36145	61.4
491.29736	11.4
491.36133	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	491.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.84944	0.3
58.06604	0.3
65.15758	0.3
69.03420	1.4
70.06577	0.4
70.89164	0.3
71.04983	0.4
71.05959	0.3
71.06308	1.0
81.03405	2.6
85.02896	1.6
89.03902	4.1
91.05485	0.6
97.02865	0.4
99.04436	0.9
106.04186	0.3
109.02888	1.1
114.09149	0.5
117.03359	14.6
119.04853	0.3
127.03918	0.7
134.03604	1.1
135.04393	1.3
137.05945	0.5
145.02818	42.1
146.03162	0.5
147.04346	0.6
149.05942	6.6
151.12463	0.3
152.06985	0.3
161.05968	0.5
163.03862	0.7
177.05434	100.0
178.05803	1.7
186.05460	0.7
195.06448	1.6
207.06487	0.7
286.05789	0.3
309.55441	0.3
321.09546	2.8
339.10693	4.9
491.15726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.1
58.18782	1.4
60.38734	1.4
61.49761	1.6
67.05491	9.1
69.07057	6.2
70.38889	3.2
70.39292	3.2
71.04975	2.1
71.08572	1.5
79.05486	8.0
80.62760	1.5
81.07037	21.3
83.04959	3.1
83.08611	3.6
85.06514	2.2
91.05455	10.7
93.07011	13.0
95.08597	19.9
97.10170	2.3
99.08065	3.1
105.07006	16.7
107.08580	22.8
109.10143	13.9
113.54256	1.7
117.07005	4.9
119.04901	1.9
119.08560	17.6
120.08787	1.9
121.10129	15.7
123.08104	1.7
123.11691	5.9
129.06912	2.0
130.67953	1.7
131.08556	10.7
133.10110	15.1
135.08028	2.8
135.11673	17.4
136.22049	1.4
137.09593	3.0
137.13235	2.9
138.09979	1.7
142.07767	1.7
143.08543	5.1
145.10088	14.9
147.04376	6.0
147.11636	12.5
148.04681	3.3
149.13248	6.8
155.08516	2.6
157.10089	7.3
159.11687	10.2
161.13246	7.2
163.11168	3.8
163.14799	4.8
168.61020	2.0
169.10147	4.1
171.11662	8.5
173.13235	13.7
174.13535	2.0
175.11140	2.8
175.14778	9.2
177.12813	1.9
177.16393	3.8
183.11652	7.1
185.13222	10.6
185.29744	1.8
187.14783	11.9
189.12717	3.5
189.16364	6.1
191.14246	4.4
195.11693	1.8
197.13271	5.6
199.14818	5.8
201.12845	2.7
201.16380	10.6
203.14243	4.0
205.12131	1.7
205.15955	3.5
209.13257	4.2
211.14865	2.5
213.16356	2.9
215.14281	2.7
215.17937	3.3
217.12312	2.0
223.14787	3.6
225.16383	2.8
229.16029	2.3
237.16585	3.2
239.17802	2.7
245.18945	2.4
251.17880	2.4
253.19563	3.5
257.15253	2.7
257.18997	2.2
265.19421	1.8
267.17010	2.3
283.16980	2.5
285.18365	1.5
288.21555	1.6
289.19449	1.7
293.22644	1.9
301.17865	3.1
317.22836	1.7
363.23242	2.2
373.28946	13.6
390.31714	1.6
391.29938	19.2
409.30865	4.2
419.29504	18.7
425.30154	2.4
427.18747	1.6
437.30441	95.3
438.30911	2.1
444.35617	2.8
454.33667	2.2
455.31528	100.0
456.31985	2.1
472.34753	6.0
490.36044	4.6
495.46835	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	490.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34385	0.2
53.03926	0.2
55.01857	0.4
55.05506	0.4
56.96559	1.7
57.03428	0.3
61.02898	0.6
66.69843	0.2
68.05003	0.4
69.03429	1.3
70.06567	0.6
70.16249	0.9
73.02898	0.5
74.12555	0.2
76.13792	0.2
81.03384	0.6
81.37333	0.2
82.06557	0.2
84.08134	1.0
85.02895	2.3
86.09684	0.6
87.04460	0.3
88.33459	0.2
91.05463	0.2
94.06537	0.7
96.08141	0.2
97.02883	1.4
98.97567	1.6
109.02876	0.2
110.97548	0.3
112.07605	1.3
113.00832	0.2
114.09122	0.8
116.98602	1.2
119.01883	0.8
119.04944	0.3
121.06464	0.4
127.03924	1.1
128.05554	0.2
128.98593	0.8
130.08632	8.3
130.93272	0.3
131.01906	1.2
131.08934	0.4
132.10172	0.3
133.03497	0.3
134.99608	0.7
136.06133	0.3
137.05969	1.5
140.03325	0.2
143.01909	0.4
145.03473	0.5
145.04950	0.6
146.99622	1.1
147.01385	0.2
147.04387	0.7
148.03813	0.2
148.94344	0.3
149.02922	0.3
150.99016	0.2
152.05505	1.4
154.07178	0.2
154.08574	0.5
155.01877	0.7
156.05038	2.4
157.03435	0.3
158.01257	0.3
158.99600	0.3
160.09668	0.4
161.02969	0.5
163.03848	0.5
165.00694	0.5
165.54707	0.3
167.02187	0.2
168.03403	0.3
168.04999	0.2
170.06549	2.1
170.99655	0.3
172.08171	3.7
173.01390	0.3
173.02965	0.9
174.04559	0.4
174.06091	2.4
174.11601	0.2
174.55156	0.7
174.99174	0.2
176.00781	0.3
177.00723	0.7
177.05542	0.3
179.04237	0.2
179.06972	0.7
183.04979	0.3
183.55583	0.3
184.05969	0.4
184.08208	0.3
185.02931	0.5
186.04373	1.0
186.06102	1.1
188.01036	0.3
188.07661	19.6
189.00713	0.3
189.07838	0.7
190.07458	0.9
190.09210	4.6
190.95399	0.5
190.98717	0.2
191.02235	0.3
193.00244	0.2
194.06667	1.4
197.01323	0.2
197.05325	1.5
198.06055	0.4
199.04625	0.3
200.07668	4.1
201.00726	0.2
201.07904	0.3
202.07510	0.3
202.09219	2.1
203.03932	0.6
204.05403	1.6
204.07184	2.6
205.00343	0.3
205.05699	0.3
206.08722	15.7
207.08981	0.4
208.08519	0.7
211.04787	0.3
211.06871	1.0
211.09264	0.7
211.54826	0.2
212.07655	23.9
213.07904	0.9
214.07440	0.9
214.09264	1.3
216.05177	0.3
216.07175	4.5
217.02020	0.3
218.08688	1.1
219.01797	1.1
221.04979	0.7
223.01135	0.2
224.07646	4.0
226.03981	0.4
226.09236	2.9
228.05418	0.3
229.07889	0.5
229.10156	0.4
230.08719	51.2
231.08910	2.2
232.08377	2.3
232.10664	0.3
232.96388	0.4
234.08217	1.8
235.09221	0.8
236.07614	0.5
237.02750	1.4
240.07077	0.8
242.08717	26.2
243.09030	1.1
244.08432	0.7
244.10478	3.2
245.04979	0.6
246.06607	0.5
246.57492	0.3
247.01567	0.3
248.07637	0.8
248.09868	1.4
253.10292	1.6
254.08713	32.0
255.08936	1.2
256.08395	1.1
256.10291	1.3
258.08191	1.7
260.09894	1.0
265.10330	0.9
266.08734	5.7
268.10333	0.3
268.56769	0.7
269.06793	0.3
272.09802	8.0
273.10165	0.4
274.09793	0.5
275.06195	0.3
277.10257	0.3
284.09702	1.0
292.13812	0.8
295.11349	0.5
301.53073	0.3
314.10797	25.4
315.11154	1.0
316.10739	1.2
322.09814	0.4
330.08295	1.2
331.09064	0.5
331.13342	0.3
332.11862	100.0
333.06406	0.2
333.07816	0.3
333.12070	5.0
334.11765	5.6
342.10309	2.6
348.09589	0.8
349.09875	0.4
355.13422	3.3
357.13266	0.3
358.08224	0.3
360.11374	8.0
361.11862	0.3
371.58841	0.6
383.12854	0.4
384.47690	0.3
388.97339	0.3
400.10779	1.8
416.07260	0.2
430.10947	1.0
430.98349	0.4
448.07626	0.3
458.11539	0.2
462.14542	1.7
472.11368	0.4
490.13055	3.0
490.18390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.2
57.07065	7.9
59.63124	1.9
61.74183	2.3
62.66960	2.4
65.03940	3.2
67.05497	17.0
69.07059	29.9
70.10632	14.2
71.08629	5.6
79.05485	16.1
81.07042	43.3
82.45064	2.6
83.08611	18.2
91.05459	20.1
93.07023	49.0
93.07576	4.3
95.08594	66.8
97.10158	5.8
99.08085	7.4
105.07008	51.1
107.08583	66.0
107.09315	3.8
109.06507	3.1
109.10141	40.9
111.08072	4.8
111.11749	3.0
117.07008	8.1
119.08565	84.6
121.06467	4.1
121.09256	3.4
121.10130	71.4
123.08060	10.7
123.11710	15.8
125.09620	3.3
129.06966	4.6
131.08553	41.0
133.10118	58.1
135.08023	8.1
135.11679	35.8
137.09637	6.1
137.13263	8.1
142.07817	2.7
143.08554	9.2
145.10107	54.5
145.11198	4.3
147.11662	58.1
149.09602	22.2
149.13245	22.3
151.11157	4.8
151.14787	14.2
153.09195	2.3
156.09346	4.0
157.10086	14.5
159.11681	33.1
161.09633	4.3
161.13240	23.0
163.11180	6.8
163.14798	32.1
165.16312	3.1
169.10150	4.1
171.11638	16.1
173.13225	28.7
173.14333	2.5
175.11151	5.0
175.14824	45.4
177.12784	5.3
177.16341	30.4
183.11681	3.2
185.13260	16.7
187.14792	100.0
188.15237	3.4
189.12701	2.4
189.16344	31.6
191.14198	3.7
191.17976	9.1
193.15877	4.4
195.13768	3.2
197.13208	6.6
199.14751	17.0
201.16362	97.9
202.16768	3.1
203.17932	14.4
205.15889	31.3
207.17436	8.9
211.14775	3.2
213.16353	21.2
215.14467	4.1
215.17941	23.6
216.96715	3.0
217.19498	3.7
219.17438	21.9
221.19044	2.6
225.16309	5.1
227.17926	8.8
229.19409	5.3
231.17393	6.1
233.15399	7.0
233.19012	19.2
237.18588	2.4
239.18024	4.4
241.19463	5.7
245.18927	4.5
247.16928	5.1
253.19548	3.9
255.21115	2.5
259.16867	3.0
261.18478	4.2
281.22482	5.6
295.24026	3.4
319.24100	2.8
327.23077	5.4
343.22614	3.6
351.26825	3.3
353.28403	3.5
365.32031	4.1
369.27637	3.2
389.32053	15.9
397.35056	3.2
407.33041	96.9
408.33459	2.9
409.34500	7.6
411.32480	26.8
425.34061	78.7
435.32526	32.9
443.34647	10.7
453.33643	47.4
454.29977	5.2
471.34576	10.2
489.35501	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03939	2.2
54.93874	0.9
55.01861	1.0
55.05500	13.5
57.03426	3.5
57.07053	2.1
59.04984	2.0
59.51884	0.8
65.03944	1.6
67.05495	53.6
69.03412	1.0
69.07059	9.8
69.49998	8.4
71.04980	3.5
71.08604	1.0
79.05484	23.9
81.07046	30.5
81.07529	1.8
83.04973	2.0
83.08607	6.4
85.06534	2.7
91.05464	20.2
93.07030	26.7
95.04969	3.6
95.08596	24.3
97.06535	1.8
97.10170	3.7
99.08064	1.5
105.04498	1.0
105.07024	17.1
107.04973	1.0
107.08578	16.5
109.06515	1.7
109.10142	34.9
111.08086	1.8
111.26943	0.7
117.06995	5.5
119.08566	22.2
121.10137	13.8
123.08058	1.3
123.11720	3.0
125.09572	0.9
128.06285	1.1
129.07004	3.8
131.08543	12.7
133.10092	13.4
135.08064	0.9
135.11674	7.9
137.09618	2.3
139.11142	1.4
143.08539	3.8
145.10110	11.0
147.11664	10.4
148.03139	0.9
149.09648	1.1
149.13261	4.2
155.08600	1.5
155.10638	1.6
157.10098	4.8
159.11650	8.3
161.13246	5.1
163.14868	2.2
169.10107	2.7
171.11642	3.7
173.11739	7.4
173.13278	7.1
175.14833	2.9
177.16402	0.9
183.11678	3.0
185.13277	3.9
187.14799	4.3
197.13309	2.0
199.14868	1.8
201.16463	1.2
209.13385	1.1
211.14742	1.8
213.14714	1.6
213.16521	1.7
215.17975	0.9
217.16112	1.1
227.17958	1.3
239.17955	1.3
240.83545	1.1
241.19627	2.0
243.21062	1.7
245.18935	1.4
253.19479	0.9
259.20538	1.5
261.22156	2.7
271.20413	0.9
273.22092	1.0
293.22614	0.9
301.21777	1.1
303.23297	0.9
317.24692	1.5
363.25229	1.4
377.26590	1.3
379.29987	6.7
391.28455	1.4
397.31061	8.8
415.32083	2.3
423.30475	0.9
433.33258	1.4
435.33051	1.5
453.33859	1.8
471.34698	8.3
472.35226	1.5
489.35742	100.0
490.36005	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	489.3569
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03939	1.6
55.01870	1.2
55.05263	1.2
55.05507	12.3
57.03430	3.8
57.07065	2.4
59.04976	0.9
65.03928	1.1
66.79106	0.7
67.05493	32.8
69.03413	0.9
69.07053	10.8
70.08257	1.8
70.08669	2.7
71.04977	1.9
71.08631	0.9
79.05478	17.3
79.05920	1.5
81.03425	0.8
81.07042	23.7
83.04965	1.6
83.08608	6.6
85.06537	2.0
87.04483	1.0
91.05464	18.1
93.07028	21.9
95.04953	2.7
95.08588	18.0
97.06522	3.0
97.10142	3.7
103.05505	0.7
105.07015	21.0
107.08583	12.9
109.06498	1.7
109.10134	14.7
111.08054	2.0
117.06995	9.0
119.08567	26.8
121.10139	9.4
123.08036	1.8
123.11675	1.5
125.09638	3.1
129.07013	3.1
131.08554	14.3
133.10101	9.8
133.10994	0.9
135.11668	6.0
137.09598	2.1
139.11208	1.5
141.06966	2.1
142.07704	0.9
143.08549	6.4
145.10107	15.7
147.11653	8.5
149.13258	2.9
155.08540	3.0
157.10110	6.8
159.11659	11.1
161.09508	0.7
161.13213	7.0
163.14873	1.2
169.10147	3.4
171.11678	7.2
173.11772	2.1
173.13275	6.8
175.14813	3.9
181.10109	1.6
183.11652	4.6
185.11687	1.2
185.13216	6.6
187.14764	5.2
189.16383	0.9
195.11667	1.1
197.13260	3.5
199.14726	3.9
201.16351	3.4
209.13162	1.5
211.14828	2.3
213.16443	2.6
215.17873	1.3
225.16362	1.8
227.17944	1.3
239.18016	1.4
241.19566	1.6
243.21129	1.8
255.21008	1.1
259.20535	1.4
261.22156	1.7
271.20612	1.8
273.22198	1.6
285.22092	2.1
287.23645	1.1
299.23611	1.7
303.23166	1.3
311.23581	0.9
329.24704	1.0
355.26212	0.8
377.26764	2.2
379.29910	10.8
391.28305	1.6
397.30942	18.0
405.30243	0.9
415.32062	3.0
433.33057	1.8
453.34164	1.0
471.34717	14.8
489.35721	100.0
490.35498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Yardenone
Peak:m/z	Relative Intensity
55.05504	20.2
57.07065	7.9
59.63124	1.9
61.74183	2.3
62.66960	2.4
65.03940	3.2
67.05497	17.0
69.07059	29.9
70.10632	14.2
71.08629	5.6
79.05485	16.1
81.07042	43.3
82.45064	2.6
83.08611	18.2
91.05459	20.1
93.07023	49.0
93.07576	4.3
95.08594	66.8
97.10158	5.8
99.08085	7.4
105.07008	51.1
107.08583	66.0
107.09315	3.8
109.06507	3.1
109.10141	40.9
111.08072	4.8
111.11749	3.0
117.07008	8.1
119.08565	84.6
121.06467	4.1
121.09256	3.4
121.10130	71.4
123.08060	10.7
123.11710	15.8
125.09620	3.3
129.06966	4.6
131.08553	41.0
133.10118	58.1
135.08023	8.1
135.11679	35.8
137.09637	6.1
137.13263	8.1
142.07817	2.7
143.08554	9.2
145.10107	54.5
145.11198	4.3
147.11662	58.1
149.09602	22.2
149.13245	22.3
151.11157	4.8
151.14787	14.2
153.09195	2.3
156.09346	4.0
157.10086	14.5
159.11681	33.1
161.09633	4.3
161.13240	23.0
163.11180	6.8
163.14798	32.1
165.16312	3.1
169.10150	4.1
171.11638	16.1
173.13225	28.7
173.14333	2.5
175.11151	5.0
175.14824	45.4
177.12784	5.3
177.16341	30.4
183.11681	3.2
185.13260	16.7
187.14792	100.0
188.15237	3.4
189.12701	2.4
189.16344	31.6
191.14198	3.7
191.17976	9.1
193.15877	4.4
195.13768	3.2
197.13208	6.6
199.14751	17.0
201.16362	97.9
202.16768	3.1
203.17932	14.4
205.15889	31.3
207.17436	8.9
211.14775	3.2
213.16353	21.2
215.14467	4.1
215.17941	23.6
216.96715	3.0
217.19498	3.7
219.17438	21.9
221.19044	2.6
225.16309	5.1
227.17926	8.8
229.19409	5.3
231.17393	6.1
233.15399	7.0
233.19012	19.2
237.18588	2.4
239.18024	4.4
241.19463	5.7
245.18927	4.5
247.16928	5.1
253.19548	3.9
255.21115	2.5
259.16867	3.0
261.18478	4.2
281.22482	5.6
295.24026	3.4
319.24100	2.8
327.23077	5.4
343.22614	3.6
351.26825	3.3
353.28403	3.5
365.32031	4.1
369.27637	3.2
389.32053	15.9
397.35056	3.2
407.33041	96.9
408.33459	2.9
409.34500	7.6
411.32480	26.8
425.34061	78.7
435.32526	32.9
443.34647	10.7
453.33643	47.4
454.29977	5.2
471.34576	10.2
489.35501	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3566
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.10505	2.3
55.05503	6.6
57.07070	3.5
67.05490	8.8
69.07050	7.7
71.04805	7.2
79.05472	8.9
79.10493	2.0
81.07049	14.5
83.08612	5.0
91.05470	12.4
93.07027	23.4
95.08587	25.5
99.08084	7.4
105.07012	28.4
107.08573	28.7
108.13310	2.1
109.10143	17.6
110.12650	2.7
111.08067	2.7
117.07004	3.8
119.08562	55.4
121.10130	30.8
123.11671	3.5
131.08539	31.9
133.10104	35.7
134.87642	2.3
135.11684	24.8
137.09566	6.3
143.08566	4.1
145.10088	28.8
147.11656	63.6
149.09682	2.5
149.13237	6.3
157.10092	7.6
159.11671	28.5
161.13257	16.1
163.11162	10.1
163.14789	4.5
170.10788	2.1
171.11700	4.5
172.12454	2.2
173.13237	12.3
175.14809	12.5
177.12810	3.2
177.16379	19.6
181.05884	2.7
185.13173	4.8
187.14795	52.5
189.16338	22.8
191.14325	2.5
191.17976	5.1
197.13293	2.5
199.14752	4.3
201.16354	100.0
203.14229	2.5
203.17931	4.9
205.15848	77.8
207.17461	15.1
207.19221	2.5
213.16356	8.6
215.17886	4.5
215.33624	2.1
217.15848	4.3
219.17406	18.1
223.16873	7.7
227.17851	4.2
231.17401	2.3
241.19409	2.4
342.75787	2.2
353.28439	6.2
389.31906	4.8
407.33069	47.9
425.34174	29.7
453.33575	32.2
471.34488	12.5
489.35477	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	489.3566
Annotation	Arjunolic acid
Peak:m/z	Relative Intensity
52.34204	1.3
55.05256	1.7
55.05501	15.9
57.03403	1.8
57.07049	3.3
59.04980	3.2
61.72384	1.5
65.03923	2.3
67.05494	32.3
69.03434	2.1
69.07053	35.0
71.04696	1.9
71.05017	2.3
79.05471	19.7
81.07040	54.9
83.04955	9.5
83.08596	5.8
85.06516	2.3
91.05457	24.4
93.06424	1.6
93.07024	50.4
95.04940	6.0
95.08588	61.5
97.06507	6.9
97.10136	10.4
99.08057	1.9
103.05430	1.8
104.48045	1.7
105.06310	3.3
105.07012	53.8
107.08575	62.7
109.06490	5.4
109.10136	82.7
111.08052	6.2
117.07004	9.1
119.08557	50.4
121.06485	3.0
121.10123	51.9
123.08061	8.7
123.11687	26.5
125.09615	10.0
129.06969	4.1
131.08551	27.0
133.10104	46.2
133.11121	2.0
134.61559	1.7
135.08020	8.3
135.11670	29.1
137.09595	22.4
137.13223	2.7
139.07465	2.4
139.11128	2.4
141.09079	1.8
143.08530	14.9
144.09267	2.6
145.10103	35.9
147.08051	3.2
147.11665	29.8
148.12045	2.2
148.65245	1.6
149.09599	4.9
149.13242	20.8
151.07550	2.0
151.11145	4.0
151.14822	2.4
153.09103	2.4
155.08546	5.7
156.09354	3.2
157.10092	17.7
158.10904	2.0
159.08096	4.5
159.11659	33.3
161.09595	4.5
161.13234	32.2
163.07545	5.5
163.11113	2.6
163.14798	6.8
165.09050	2.6
169.10144	6.7
170.10977	1.7
171.11646	13.7
173.09598	3.0
173.13213	21.7
175.11108	3.5
175.14792	13.7
177.09082	3.8
177.12695	4.2
177.16396	6.8
179.10814	2.3
179.14317	3.0
181.12230	1.5
183.11658	6.9
185.13219	15.2
187.11244	2.8
187.14787	21.9
189.09076	2.9
189.12721	2.8
189.16304	10.8
191.10609	3.8
191.14255	3.9
191.17905	8.5
193.12207	1.7
195.11691	3.6
197.13188	5.1
199.14816	11.9
201.12723	4.5
201.16306	12.1
203.10655	2.5
203.14265	3.8
203.17905	4.8
205.12302	2.3
205.15858	5.2
207.17426	2.7
209.13229	1.9
211.14871	7.5
213.16359	10.9
215.14334	3.5
215.17923	6.0
217.12238	2.3
217.15871	4.2
219.13950	1.9
219.17484	2.2
223.14783	3.3
225.16374	4.3
227.14311	2.5
227.17912	4.4
229.15746	4.0
229.19518	2.2
231.13797	5.2
231.17419	2.3
233.15303	2.3
237.16385	3.4
239.17915	4.0
241.19514	5.7
245.15347	7.0
247.16898	6.1
251.17824	2.8
253.19516	3.8
255.21220	2.7
257.15219	3.9
259.16943	3.0
265.19452	2.4
271.16760	3.7
273.18451	3.7
281.22461	3.5
285.18515	2.0
285.21976	1.5
291.21063	1.8
293.22714	2.5
297.18484	2.4
299.20035	2.5
299.23602	1.6
301.21692	2.3
309.22037	2.4
311.23599	3.2
313.21686	2.5
315.19690	2.9
315.23486	1.8
321.25784	1.7
327.23215	7.0
339.26736	2.3
353.24478	1.6
355.22485	3.3
355.26389	3.5
359.26474	1.6
362.97424	1.7
367.26276	14.3
375.30389	2.4
377.28360	4.2
385.27417	3.6
393.31619	4.4
395.29367	7.7
403.28381	3.8
405.31403	3.5
407.27829	3.5
411.32431	3.7
415.28561	2.4
417.31430	5.8
423.32626	7.7
425.33783	2.3
433.29504	2.2
435.32581	16.4
453.33548	14.5
471.34607	42.6
489.35675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.4
54.49363	1.7
55.01852	1.8
55.05502	19.0
57.07065	3.0
65.03944	3.8
67.05495	45.8
69.03426	4.9
69.06671	3.1
69.07056	42.9
71.04986	4.2
76.00690	1.5
79.05067	2.6
79.05486	26.8
81.07047	62.9
82.00062	1.6
83.04967	5.3
83.08610	8.9
85.06522	3.9
91.05465	30.8
93.07031	55.0
95.04955	6.2
95.07986	3.7
95.08593	69.1
97.06521	5.9
97.10167	11.9
105.07018	56.4
107.04965	2.0
107.08578	67.0
109.06506	6.7
109.10144	100.0
111.08055	6.2
117.06996	10.2
119.08568	65.2
121.06495	5.3
121.10123	53.8
123.08067	7.2
123.11682	26.5
125.09549	11.3
127.11259	1.6
128.06248	1.8
129.06996	4.6
129.43924	1.9
130.04340	1.6
131.08548	29.9
133.06532	2.4
133.10106	49.7
135.08011	8.6
135.11668	24.7
137.09586	12.2
137.13217	4.4
137.84036	1.6
139.11253	1.9
141.09180	2.2
142.07767	3.6
143.08551	13.3
145.10101	41.5
147.08031	3.8
147.11661	35.5
149.09608	5.9
149.13222	23.3
151.07518	2.2
151.11145	4.2
155.08517	4.9
156.09413	1.9
157.10114	22.2
158.10930	3.2
159.08092	3.5
159.11678	38.2
161.09595	5.1
161.13237	33.0
161.14508	2.4
163.07489	9.2
163.11168	4.9
163.14812	7.6
165.09079	5.1
165.12794	2.0
167.07140	1.9
167.08525	1.8
169.10101	10.1
170.10828	1.8
171.11691	15.7
173.09653	1.9
173.13242	24.4
175.11171	4.1
175.14769	15.5
177.09148	6.4
177.12769	4.8
177.16367	7.7
179.10678	3.9
181.10165	3.4
181.12096	1.6
183.11688	7.5
184.12422	1.8
185.13193	15.4
187.11224	3.1
187.14781	20.3
189.12723	3.1
189.16333	10.1
191.10667	3.8
191.14223	2.1
191.17947	5.5
193.12283	1.7
195.11702	4.7
197.13272	8.8
199.14806	13.4
201.12807	2.1
201.16344	13.3
203.10701	2.1
203.14351	3.7
203.17960	5.3
205.12390	2.7
205.15843	3.9
207.13800	2.1
207.17476	2.6
209.13257	3.3
211.14772	9.2
213.12877	2.2
213.16312	9.6
215.14351	5.7
215.17934	6.5
215.19872	1.8
217.15944	3.3
217.19658	2.2
219.13800	3.0
219.17441	2.8
221.15321	1.9
223.14745	3.2
224.98169	1.7
225.16374	3.0
227.14568	1.9
227.17958	6.5
229.15947	5.3
229.19788	1.7
231.13846	4.1
231.17493	3.8
233.15373	3.8
237.16425	3.9
239.17924	4.5
241.19548	3.8
243.13921	1.9
245.15356	8.3
247.17058	6.5
251.18073	2.8
253.19548	5.4
255.17300	1.9
255.21228	2.6
259.16977	2.4
265.19659	3.0
267.21075	2.8
269.19244	2.0
271.16971	2.6
271.20624	4.0
273.18512	5.0
281.22510	3.2
285.18524	4.4
295.20477	2.5
299.20047	2.4
301.21518	4.0
309.21988	3.1
313.21616	2.8
315.19553	4.4
321.25336	1.8
325.25247	2.0
327.23181	6.7
331.22992	1.8
337.25549	1.9
339.27167	2.2
349.25043	4.0
355.22476	4.0
355.26364	4.1
357.23804	2.3
363.30246	1.9
367.26312	16.6
375.30545	2.4
377.28366	2.7
385.27332	3.9
393.31750	2.4
395.29395	10.0
403.28311	2.1
405.31439	4.0
407.28015	4.9
411.32544	2.6
415.28619	2.4
417.31506	5.9
423.32672	6.8
435.32568	13.8
441.33624	5.2
443.34824	2.5
453.33563	13.1
471.34653	36.6
489.35754	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3566
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
53.03936	0.8
55.05492	4.8
57.07061	1.4
59.04989	0.8
62.29626	0.7
67.05495	7.0
69.03403	1.3
69.07054	5.1
71.04993	4.6
79.05473	5.3
79.17086	0.7
81.07050	11.3
83.04960	22.6
83.08602	2.0
85.06497	1.5
91.05481	5.2
93.07024	13.7
95.04946	3.3
95.08585	22.5
97.06519	2.0
97.10149	2.0
99.08070	1.2
105.07011	10.9
107.08575	22.0
109.06493	2.6
109.10140	13.9
111.08058	1.1
113.06010	1.1
113.09624	3.3
117.06967	1.8
119.08559	15.9
121.06469	2.1
121.09262	1.1
121.10121	15.3
123.08048	11.0
123.11693	6.2
123.28632	0.8
125.09625	2.4
127.11152	0.9
131.08540	4.2
133.10104	13.9
135.08057	2.5
135.11665	16.1
135.12625	1.3
137.09590	75.2
137.13225	1.9
139.11070	1.0
141.09071	5.7
143.08539	2.6
145.10106	8.6
147.08040	1.0
147.11661	7.9
149.09587	1.0
149.13246	5.1
151.11185	1.2
155.08490	1.5
157.10115	4.5
159.10193	2.2
159.11684	7.8
161.09581	1.8
161.13211	5.5
163.11148	0.9
163.14777	4.0
169.10039	1.6
171.11659	4.3
173.09592	1.3
173.13231	4.7
175.11153	2.0
175.14813	3.3
177.09073	1.0
177.12740	2.2
177.16345	2.1
179.10641	2.4
179.14139	0.7
183.11667	2.4
185.13232	4.2
187.11066	0.7
187.14778	4.5
189.12663	0.9
189.16354	3.1
191.17923	2.8
193.12245	1.2
195.11656	1.1
197.13290	1.7
199.14818	2.4
201.16362	3.4
203.14331	1.7
203.17940	3.1
209.13231	0.9
211.14819	1.7
213.12743	1.8
213.16402	1.5
215.14520	0.8
215.17842	0.9
217.12193	1.1
219.13715	0.8
227.14265	0.9
231.13794	1.2
241.15779	1.0
245.15317	1.8
246.24510	0.8
251.18123	1.2
253.19295	0.9
255.17365	1.2
293.22571	1.6
299.20142	1.0
311.23557	2.0
315.23062	1.1
317.21048	1.0
327.23083	0.9
329.24380	1.1
339.23050	1.4
339.26715	1.1
357.24185	10.6
367.26370	1.8
375.25177	1.5
375.30603	0.7
383.29431	3.7
393.31458	1.1
399.28897	1.2
401.30472	2.9
411.32538	4.0
417.30490	1.1
435.32471	3.3
453.33585	17.3
454.33972	0.9
471.34628	51.2
472.35239	1.7
489.35678	100.0
490.36160	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	489.3566
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
53.40577	1.1
55.05492	4.0
57.07077	1.7
59.04992	1.7
67.05495	5.5
69.03377	1.5
69.07045	4.6
69.70942	3.6
69.71364	5.2
69.92800	1.4
71.04972	4.5
75.68829	1.0
79.05473	4.8
81.07050	8.3
83.04970	18.1
83.08614	2.4
85.06533	1.9
91.05482	6.1
93.07036	15.0
95.04923	3.8
95.08598	21.0
95.78452	1.0
97.06505	1.6
97.10137	1.7
98.21418	1.5
101.21493	1.0
105.07013	12.3
107.08580	19.9
109.06485	3.6
109.10142	15.7
113.09603	2.7
115.51518	1.4
117.07001	2.4
119.08574	13.4
121.06466	3.2
121.10133	13.4
122.07268	2.4
123.08051	10.3
123.11676	7.1
125.09618	2.4
131.08534	5.0
133.10100	14.0
135.08011	1.4
135.11678	15.7
137.09598	77.0
137.13156	2.2
139.11168	1.2
141.09079	4.6
143.08531	1.2
145.10104	7.4
147.08179	1.0
147.11659	8.5
149.09596	1.4
149.13242	4.5
157.10089	4.0
159.08086	1.6
159.10376	1.8
159.11691	7.5
161.09575	1.9
161.13228	5.6
163.07545	1.2
163.11165	2.0
163.14818	3.1
168.44617	1.2
169.10115	1.4
171.11682	3.0
173.13229	4.1
175.11197	2.3
175.14810	3.9
177.12759	2.0
177.16393	2.6
179.10593	2.0
183.11708	1.1
185.13252	3.4
187.14781	5.1
189.09149	1.4
189.12674	1.6
189.16400	3.3
191.17938	2.1
197.13301	1.4
199.14821	2.7
201.16379	3.2
203.14246	1.7
203.17935	3.3
213.16347	1.5
215.18066	1.8
241.15918	1.2
243.13794	1.3
245.15602	1.3
255.20898	1.3
311.23706	2.1
313.21576	2.0
313.25128	2.0
339.23242	1.5
357.24118	11.2
375.25531	1.4
383.29449	4.8
399.28729	1.5
401.30475	4.8
411.32590	3.8
417.31607	1.1
435.32471	3.4
453.33505	18.6
471.34668	56.5
472.35376	1.6
489.35699	100.0
490.36035	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	489.3568
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
55.05503	5.0
57.07068	2.0
59.04988	1.0
65.03913	1.2
66.19456	0.7
67.03998	0.9
67.05495	6.6
69.03424	2.1
69.07058	5.4
71.04648	0.7
71.04987	4.8
71.18842	1.6
71.19188	1.3
79.05489	3.9
81.07046	13.1
81.07521	0.9
83.04967	20.9
83.05466	1.1
83.08602	1.9
85.06532	2.1
91.05457	6.5
93.07027	16.7
95.04919	3.5
95.08592	20.8
97.06502	3.1
97.10142	1.8
105.07008	11.1
107.08578	17.4
107.24729	0.7
109.06453	1.8
109.10142	16.3
111.08070	1.5
113.06008	1.5
113.09593	4.5
113.81094	0.8
117.07002	1.9
119.08550	15.4
121.06495	2.1
121.10125	15.7
122.07301	0.9
123.08047	11.4
123.11689	7.4
125.09643	3.5
129.06949	1.2
131.08536	4.7
133.10104	13.1
135.08044	2.5
135.11673	16.5
137.09595	75.4
137.13234	2.4
139.11163	1.4
141.09079	5.3
143.08528	3.0
144.09254	0.8
145.10097	7.4
147.07996	1.1
147.11659	9.3
147.79648	0.8
149.09563	1.9
149.13226	5.4
155.08575	1.3
157.10112	4.9
159.10184	2.9
159.11682	6.7
161.09633	1.6
161.13268	5.9
163.11154	1.1
163.14796	3.4
165.09154	1.0
169.10110	1.8
170.10916	1.2
171.11690	4.5
173.09517	1.1
173.13261	3.4
175.11136	1.6
175.14804	4.1
177.09073	1.0
177.12660	1.4
177.16373	2.6
179.10701	1.8
183.11671	1.8
185.13287	4.5
187.14790	5.5
189.12698	1.1
189.16304	3.5
191.14330	0.9
191.17972	2.6
193.12256	0.8
195.11697	1.2
197.13235	2.0
199.14806	1.6
201.12785	0.9
201.16393	3.2
203.14265	2.0
203.17967	3.4
209.13161	1.0
211.14793	1.4
213.16290	1.4
215.14357	1.6
215.17934	1.5
219.13777	1.1
225.16374	1.0
229.15833	1.0
231.13846	1.0
237.16423	0.9
239.18021	0.8
245.15388	1.3
253.19382	0.8
255.21140	1.1
259.16879	1.1
279.21136	1.0
299.19885	0.9
311.23651	2.4
313.21490	1.4
313.25162	0.9
315.23340	1.4
327.23611	0.9
339.23178	1.2
339.27075	1.2
349.25208	1.1
357.24161	10.6
357.28110	1.1
367.26312	1.1
375.25354	1.4
383.29449	4.0
387.29407	0.9
399.29175	2.2
401.30426	3.7
411.32349	3.5
435.32623	5.3
453.33588	16.9
471.34653	51.4
472.34824	1.7
489.35693	100.0
490.36169	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3567
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03938	0.8
55.05501	5.9
57.03412	1.1
57.07062	1.7
59.04985	2.0
61.83775	0.6
65.03946	1.0
67.05495	9.9
69.03419	2.0
69.07056	8.0
71.04983	4.8
71.08625	0.9
79.05480	7.6
81.07046	16.6
83.04967	22.2
83.08606	2.7
85.06525	2.0
85.35961	0.7
91.05466	7.9
93.07031	20.0
95.04953	4.0
95.07990	1.5
95.08593	27.9
97.06512	2.6
97.10148	2.0
98.20637	1.6
99.08094	0.9
101.59096	0.8
105.07011	15.3
107.08576	24.4
109.06517	3.1
109.10138	21.5
111.08063	2.9
113.09626	2.9
114.31126	0.7
117.07017	1.8
119.08565	21.5
121.06518	2.1
121.10133	20.1
123.08051	11.7
123.11688	10.4
125.09595	4.7
129.07013	1.9
131.08549	6.9
133.10101	18.0
135.08037	2.7
135.11670	20.2
135.40211	0.7
137.09598	69.9
137.13213	1.4
139.07544	1.6
139.11172	1.5
141.09081	4.6
142.07776	0.8
143.08524	4.8
144.09354	1.0
145.10100	9.9
147.08040	1.6
147.11676	9.2
149.09578	1.8
149.13226	6.9
151.11195	1.7
155.08490	1.7
157.10100	6.3
159.07996	1.5
159.10283	1.7
159.11676	10.0
161.09608	2.8
161.13232	9.9
163.11137	1.8
163.14816	5.8
169.10164	3.3
171.11681	4.7
173.09599	1.3
173.13228	6.8
175.11182	2.8
175.14819	5.9
177.09160	1.3
177.12767	2.1
177.16406	2.2
179.10634	2.7
179.14340	0.9
181.10081	0.9
183.11707	2.9
185.13187	5.0
187.11168	1.1
187.14777	6.6
189.12756	1.3
189.16338	4.3
191.10651	1.4
191.17969	2.3
191.68004	0.7
195.11646	1.2
197.13243	2.3
199.14864	3.4
201.12790	1.2
201.16331	4.8
203.14284	2.2
203.17961	3.0
205.12279	1.2
205.15883	1.0
207.17390	0.9
209.13298	1.5
211.14842	2.7
213.12694	1.6
213.16385	2.4
215.14279	1.4
215.17963	2.5
217.19518	1.6
219.13806	1.6
223.14960	0.9
225.16371	1.7
227.14351	1.8
227.18018	1.8
229.19470	1.1
229.82994	1.0
231.13930	1.8
239.17854	1.7
243.13971	1.0
245.15317	1.4
247.17006	1.2
253.19449	1.6
255.17439	1.2
255.21007	1.5
267.20996	1.5
273.18503	1.1
279.21057	0.9
311.23697	2.4
313.21768	1.0
315.23029	1.1
317.21152	0.9
327.23102	1.0
339.23096	1.0
355.26410	0.9
357.24124	8.3
357.27588	0.9
367.26315	2.2
375.25320	1.0
383.29526	3.4
388.79926	0.8
395.29544	1.6
399.29074	1.9
401.30539	3.1
411.32602	1.7
417.30786	0.9
423.32608	1.5
435.32346	5.2
441.33939	1.1
453.33554	17.9
471.34647	46.4
489.35712	100.0
490.36020	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03946	1.7
55.05506	14.0
57.03407	1.9
57.07058	3.6
65.03919	1.7
67.05495	33.7
69.03421	2.9
69.07059	30.5
69.44843	5.5
69.45265	13.1
71.04971	3.3
78.82787	1.4
79.05486	19.0
79.92226	1.3
81.06591	3.0
81.07044	45.2
83.04980	11.8
83.08620	7.4
85.06535	2.4
91.05471	21.3
93.07033	42.5
93.07634	2.6
95.04956	7.0
95.08591	49.6
97.06512	4.9
97.10153	9.1
99.08131	1.8
105.07016	51.8
107.08576	56.1
109.06518	7.2
109.10145	76.1
111.08070	5.2
113.09634	2.3
117.07021	9.7
119.07723	2.7
119.08570	54.9
121.06506	3.4
121.10130	49.0
123.08054	8.8
123.11703	20.5
125.09611	10.5
127.11230	2.1
129.06982	5.4
131.08551	24.2
133.10117	42.9
135.08037	6.0
135.11679	23.5
137.05983	1.8
137.09604	24.7
137.13219	3.9
139.11151	1.6
141.06976	1.7
143.08548	13.0
145.06461	2.1
145.10104	34.6
146.10817	1.9
147.08040	2.8
147.11665	27.4
149.09596	4.4
149.13249	16.0
151.07523	3.7
151.11179	4.0
151.14874	1.8
153.09096	2.5
155.08559	4.7
157.10107	15.8
158.10847	1.7
159.08090	2.9
159.11681	37.6
161.09612	4.7
161.13246	27.2
163.07532	5.0
163.11201	3.5
163.14783	9.4
165.09100	1.9
165.12752	2.7
169.10083	5.0
171.11670	13.7
173.09561	2.5
173.13245	20.4
175.11252	3.3
175.14801	15.8
177.09085	3.8
177.12746	4.7
177.16385	5.6
179.10555	2.4
179.14340	2.3
181.10094	3.4
182.10841	2.0
183.11694	5.2
185.13245	12.4
187.11183	2.1
187.14801	18.7
189.09093	1.9
189.12666	1.8
189.16359	10.0
191.10663	3.4
191.17952	10.3
195.11682	5.4
197.13231	5.9
199.14746	8.7
201.12686	3.1
201.16344	13.2
203.10612	2.2
203.14287	2.2
203.17929	5.2
205.15866	6.4
207.17455	3.1
209.13326	3.0
211.14888	5.1
213.16330	8.0
215.17918	4.2
217.12311	2.5
217.15852	2.4
217.19510	2.4
219.13847	4.1
219.17459	3.3
221.15373	1.9
223.14923	2.4
225.16452	3.8
227.14398	2.4
227.18007	3.5
229.15858	4.5
231.13896	3.8
233.15399	2.3
237.16470	2.2
239.17937	3.8
241.19559	2.3
243.13916	2.8
243.17351	2.0
245.15373	4.5
247.16980	6.5
249.16504	1.8
251.17958	2.9
253.19524	6.1
255.21114	2.0
257.18973	2.4
265.19507	2.7
267.21085	3.3
271.16971	2.7
273.18585	4.2
281.22507	3.5
283.20471	2.3
301.21536	2.1
309.21826	2.1
311.20370	1.9
311.23633	3.6
313.21625	3.9
315.19507	2.2
323.23718	2.2
327.22971	8.1
339.26706	2.1
355.26398	3.4
367.26236	13.0
377.28250	2.5
383.29544	2.0
385.27411	5.7
393.31485	3.1
395.29465	6.6
405.31335	2.5
407.27991	4.7
411.32480	5.1
417.31607	5.3
423.32556	7.2
435.32571	12.4
441.33603	2.1
453.33481	16.1
471.34613	38.2
489.35742	100.0
490.35416	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	489.3203
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
55.05495	8.5
57.07067	5.7
58.13089	3.3
67.05502	35.0
69.07066	18.0
69.79346	24.4
71.04961	3.9
79.05473	18.5
81.07044	50.3
82.13037	3.7
83.04960	5.3
83.08591	12.2
85.06537	17.7
85.10989	3.2
91.05466	21.9
93.07026	39.5
95.04946	9.0
95.08593	50.9
97.06525	7.1
97.10149	4.4
99.01135	3.1
103.05454	5.4
105.07007	37.3
107.08575	59.8
109.06489	5.7
109.10130	50.9
113.05972	9.7
117.06993	11.4
119.04906	8.5
119.08562	61.0
120.08916	4.0
121.06467	5.4
121.10117	95.3
123.08035	8.5
123.11685	37.3
125.09619	8.6
129.06956	5.0
131.08536	25.6
133.06419	6.0
133.10094	47.4
135.08025	8.7
135.11667	72.1
137.05940	12.1
137.09595	13.4
137.13210	11.4
139.11147	4.3
143.08530	24.3
145.10094	35.5
147.04381	42.4
147.08087	6.3
147.11673	26.7
149.09628	8.1
149.13242	14.6
151.07571	9.9
151.14870	4.0
153.09125	6.6
155.08475	7.4
156.09262	7.0
157.10097	22.4
159.11661	25.5
161.09557	4.2
161.13228	21.2
163.11163	5.4
163.14807	25.5
165.05493	9.5
165.09068	4.7
169.10048	9.2
171.11647	30.9
173.13208	28.6
175.11157	10.7
175.14833	17.6
177.12756	12.6
177.16216	7.9
177.97154	3.3
183.11720	17.4
185.13205	36.2
187.11185	5.3
187.14784	27.6
189.12752	15.1
189.16333	29.5
190.16753	4.1
191.14391	4.3
195.11674	4.1
197.13199	10.8
199.14828	27.8
201.12698	10.7
201.16307	13.3
203.10687	5.0
203.14247	13.8
203.17897	12.1
205.15895	8.7
209.15343	6.9
211.14775	6.8
213.12660	7.6
213.16310	15.9
215.14272	23.2
215.17789	6.2
217.15816	17.4
219.17430	3.6
223.13182	18.1
225.16217	7.7
229.15894	4.5
231.13687	6.2
231.17445	7.3
233.15326	4.5
237.16376	5.4
239.17912	5.9
241.12190	5.2
241.15872	5.8
241.19574	4.8
243.17348	6.3
245.15309	6.2
249.14798	5.3
293.22586	5.6
325.23663	8.0
355.22577	6.8
357.24081	6.5
365.28094	3.9
371.26462	4.3
379.29855	35.1
389.28305	17.8
407.29330	76.2
408.29904	6.9
417.27707	5.2
425.30392	100.0
426.30890	6.8
435.28806	29.1
453.29767	60.6
471.30170	16.2
489.35535	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
53.03926	0.6
55.01858	1.0
55.05498	5.3
57.03434	3.2
57.07066	1.3
59.69730	0.5
65.03915	1.4
67.05493	13.2
69.03393	0.9
69.07059	5.5
70.59119	0.6
71.04972	2.4
71.79577	0.7
74.09698	1.1
79.05477	6.6
81.07041	18.2
83.04949	2.7
83.08598	3.7
85.02880	2.3
85.06534	1.0
87.00809	0.6
91.05458	13.9
91.06026	0.8
93.07027	12.7
95.04934	2.4
95.08588	18.5
96.22671	0.5
97.06542	1.2
97.10140	2.3
99.08085	1.0
105.01883	0.6
105.07006	8.1
107.08572	11.0
109.06490	1.7
109.10135	12.4
111.08039	1.9
113.05961	0.6
117.06980	1.5
119.04919	18.6
119.08553	8.9
121.06470	0.7
121.10123	10.8
123.08041	1.9
123.11695	4.3
125.09602	1.9
126.18108	0.6
129.05437	1.3
129.06964	1.1
131.08553	4.4
133.10115	8.7
135.08020	1.9
135.11674	7.6
137.09589	7.1
137.13254	1.3
138.03108	0.5
139.07468	0.5
139.11121	0.7
143.03387	1.9
143.08539	2.0
145.10104	4.9
147.04379	100.0
147.11647	3.6
148.04691	1.0
149.09596	0.7
149.13219	3.0
151.07516	1.4
151.11162	1.3
153.09114	0.7
153.12645	0.7
155.08521	0.5
157.10091	2.0
159.11658	4.7
161.09615	1.1
161.13210	3.0
163.11160	1.0
163.14767	1.6
165.05453	15.6
165.12692	0.8
169.10085	1.0
171.11687	2.3
173.13242	3.2
175.11217	0.9
175.14787	2.3
177.12671	0.8
177.82344	0.5
183.11688	1.4
185.13208	2.2
187.14754	3.2
189.09064	0.6
189.12709	0.8
189.16409	2.6
191.14246	0.9
191.17889	0.7
195.11650	0.8
197.13206	0.9
199.14726	1.8
201.12698	0.9
201.16331	2.6
203.14229	0.9
203.17911	0.8
205.15739	1.1
207.17331	0.6
211.14845	1.1
213.16353	1.6
215.17831	3.4
217.15948	0.6
219.13782	0.6
221.08073	1.4
221.15242	0.7
225.16380	0.7
227.17778	0.8
233.18912	2.9
239.17822	0.9
241.12360	0.6
245.05052	1.6
245.15309	1.0
247.16769	0.6
251.20081	3.4
275.17172	0.6
289.21732	0.7
325.23688	18.8
326.23901	0.6
364.88895	0.6
367.26260	1.0
395.29327	0.8
401.30179	0.6
407.29410	1.7
423.32590	0.7
425.30255	0.9
435.32837	0.9
453.29285	1.5
453.34439	0.9
454.34402	0.6
471.35294	5.3
489.28442	2.5
489.35437	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	488.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.4
57.03428	1.4
57.07072	3.8
67.05489	12.2
69.03413	2.8
69.07059	16.1
70.38355	5.7
71.04992	2.1
71.08615	1.6
75.46140	1.2
79.05476	14.7
79.76037	1.3
81.03376	1.4
81.07042	30.9
83.04978	2.9
83.08604	9.9
91.05454	15.1
93.07030	27.3
93.07571	2.0
95.04971	2.4
95.08593	50.2
97.06525	2.5
97.10165	2.9
99.08085	2.3
105.07014	49.5
105.07709	2.7
107.08576	42.0
109.06520	6.4
109.10144	26.9
109.10870	2.1
111.08078	4.6
112.28024	1.5
114.33710	1.4
117.07000	11.9
119.08562	67.8
121.06541	1.5
121.10128	46.2
123.08067	7.3
123.11684	11.5
129.07025	4.8
129.27022	1.7
130.07805	4.5
131.08537	24.7
131.09416	1.7
133.10110	48.2
135.08023	2.1
135.11656	20.1
137.09648	3.8
137.13318	2.0
141.06941	1.5
142.07790	1.5
143.08546	10.6
144.09351	3.9
145.10104	100.0
146.10814	1.7
147.08028	1.9
147.11659	50.3
149.09644	3.9
149.13219	13.0
151.04857	1.4
151.11252	2.0
151.14809	2.4
153.09140	3.9
155.08485	2.2
156.09401	2.1
157.10106	14.0
158.10786	1.7
159.11674	75.1
160.12288	1.6
161.09662	2.2
161.13228	37.2
161.14491	2.3
163.11160	24.1
163.14766	9.5
165.12708	1.9
167.10719	2.1
169.10146	2.1
170.10925	2.4
171.11700	10.0
173.13216	19.7
175.11208	2.0
175.14796	68.4
177.12761	2.0
177.16357	20.8
183.11687	3.6
185.13257	8.6
187.14784	29.4
189.12769	2.0
189.16351	68.1
191.14378	5.3
191.17899	11.9
193.15862	29.7
195.11707	2.1
196.12411	1.8
197.13383	2.5
199.14827	12.1
201.16339	14.6
203.14337	2.0
203.17918	11.6
207.17532	3.9
211.14819	5.4
213.16351	12.7
215.17937	21.3
217.15845	33.3
217.17776	2.2
217.19456	1.6
219.17500	5.0
221.15411	5.9
223.14897	2.0
225.16388	4.3
227.17989	6.2
229.15877	8.9
229.19560	4.7
231.17389	12.8
233.18912	8.5
235.14783	1.8
235.16959	5.9
237.16412	2.1
239.17993	2.4
241.19441	4.9
243.21080	2.6
261.18445	9.8
265.19467	1.6
299.23370	2.0
301.21548	32.2
335.27316	11.7
337.29025	6.0
351.30453	2.5
353.28494	9.9
381.22974	2.6
381.27832	41.2
381.32507	2.6
389.32089	5.1
397.31277	2.4
399.29074	5.0
407.33365	27.3
425.29559	1.5
425.34341	22.7
435.32574	12.7
453.33865	11.5
462.75333	1.8
471.34674	19.8
488.37384	56.3
489.37076	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73588	1.0
55.05493	3.6
57.03403	1.6
57.07053	2.3
67.05496	6.4
67.80502	1.0
68.07084	1.2
69.07050	5.5
71.04963	1.6
71.29561	2.4
78.35135	0.9
78.36000	0.9
79.05472	4.9
81.07042	12.6
83.04950	1.5
83.08601	5.0
85.06528	7.2
91.05459	9.6
93.07025	11.7
95.04947	1.5
95.08591	17.4
96.08926	1.7
97.06464	1.4
97.10154	1.2
99.08083	1.5
105.07016	12.9
107.08577	19.3
108.08920	2.3
109.06551	1.4
109.10129	13.2
111.08089	1.2
117.06994	4.3
119.08548	18.8
120.08885	1.3
121.10126	20.8
123.08024	1.4
123.11695	8.1
127.11282	1.1
129.06984	5.1
131.08540	10.8
133.10104	20.1
133.11009	1.9
134.10416	1.2
135.11658	12.6
137.05984	1.1
137.09592	2.4
137.13269	2.4
141.07008	1.3
142.07745	1.5
143.08519	5.1
145.10097	13.1
147.11665	13.5
149.09618	3.8
149.13202	6.5
151.11168	2.1
155.08548	3.5
157.10123	12.0
159.11694	12.8
160.12018	1.3
161.09613	2.4
161.13252	6.6
162.13623	1.6
163.11179	8.1
163.14789	4.4
167.13892	0.9
169.10097	4.3
171.11664	8.6
173.09569	1.6
173.13254	9.3
174.13535	1.0
175.11182	3.2
175.14810	9.4
177.12700	3.5
177.16365	5.0
177.77640	1.0
181.10069	3.4
181.12206	1.2
183.11647	7.9
185.13190	7.9
187.11122	1.9
187.14801	8.5
188.15160	3.2
189.12675	1.9
189.16377	13.0
191.14297	2.3
191.17935	2.7
195.11661	3.3
197.13255	5.3
199.11121	3.2
199.14803	6.9
201.12663	7.1
201.16350	4.8
202.16550	1.1
203.17889	1.9
205.15883	3.2
207.11664	1.0
209.11533	6.6
209.13290	3.2
211.14778	4.0
213.12778	1.7
213.16373	3.7
215.14305	3.4
215.17915	4.1
217.12268	1.6
217.15910	3.7
219.13702	1.1
219.17319	1.2
220.17445	1.0
223.14810	3.4
225.12630	1.1
225.16362	2.7
227.14273	1.3
227.17984	3.3
229.12225	2.0
229.15967	1.7
229.19687	1.1
231.13809	1.3
235.14795	1.4
236.90213	1.3
237.16467	2.2
239.14441	1.5
243.13844	1.3
243.17421	1.3
245.11700	1.5
245.15550	1.5
245.18945	2.0
247.13252	2.6
248.99890	1.0
249.16400	1.9
251.17816	2.4
253.19548	2.6
263.17822	1.4
265.19678	1.5
273.16470	1.3
275.17975	1.2
281.15536	1.3
281.18762	2.2
297.18567	1.4
315.21039	2.0
333.21936	1.4
349.37860	1.2
355.22794	1.6
359.27277	1.9
361.21457	1.2
361.28577	1.3
365.28467	1.7
371.27261	4.5
377.28339	2.1
379.22717	2.1
379.30045	2.5
389.28226	12.8
405.27969	1.4
406.31946	2.9
407.29346	9.9
417.27884	7.7
423.28806	7.9
424.33151	5.6
425.30161	6.1
428.32254	2.3
435.28879	35.1
442.33896	1.8
453.29904	24.4
471.31006	34.0
488.33655	100.0
489.34097	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	487.3412
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
52.38453	3.0
55.05503	19.3
56.96544	4.1
57.07051	5.6
61.02923	6.4
67.05491	34.9
69.03410	7.1
69.07049	26.6
69.67347	28.0
71.04969	8.5
79.05486	29.2
81.03368	4.9
81.07042	52.2
83.05000	6.2
83.08598	24.1
85.02879	12.7
85.06509	4.6
91.03958	5.4
91.05463	28.6
93.07025	68.5
95.04988	5.4
95.08585	87.4
97.02837	4.2
99.08035	6.3
105.07017	53.8
107.08569	88.0
108.08945	3.6
109.06493	5.8
109.10147	51.5
111.08069	3.9
117.06995	13.1
119.08564	90.4
121.06465	4.1
121.10118	85.1
123.08028	6.2
123.11695	14.8
125.09621	6.6
129.07005	12.2
129.09111	11.6
131.08549	37.6
133.10095	68.8
135.08000	8.7
135.11664	52.0
137.09592	12.4
137.13240	3.6
141.07010	3.5
143.08542	18.3
144.09247	4.8
145.10098	55.0
147.08018	11.8
147.11658	39.2
149.09578	6.9
149.13239	34.7
151.11244	3.9
153.09116	3.9
155.06993	3.5
155.08479	5.2
157.10091	30.1
158.10916	5.8
159.07964	6.7
159.11664	36.6
160.12431	3.6
161.09579	5.5
161.13237	44.5
163.11136	10.6
163.14783	44.7
165.09167	8.3
165.12721	6.4
167.10599	8.0
169.08615	5.1
169.10054	7.8
169.71704	3.7
171.11678	32.2
172.12503	3.8
173.13242	75.3
174.28580	3.7
175.11169	7.7
175.14796	63.2
177.16338	23.8
179.10681	7.0
179.14299	4.1
181.12222	3.6
182.10786	4.3
183.11725	11.4
185.13199	21.5
187.11171	4.7
187.14781	75.8
188.15466	4.0
189.12718	8.2
189.16348	98.5
190.16655	3.6
191.14268	26.8
191.17928	8.4
192.36664	3.7
193.12175	7.3
197.13130	7.8
199.11145	3.5
199.14807	27.8
201.12723	7.9
201.16287	28.5
203.14279	8.3
203.17943	15.3
205.15958	9.3
207.13684	3.8
211.14861	5.8
213.16342	24.9
215.14302	9.8
215.17908	33.5
217.15804	3.8
217.19545	9.1
219.13799	9.4
221.13116	4.8
221.15387	5.5
225.16359	8.2
227.17920	27.1
229.19398	6.8
231.17320	6.9
233.15358	23.0
235.16890	11.1
239.17906	10.2
241.19505	19.6
243.21123	13.4
245.15257	4.4
247.16914	12.6
251.16321	27.3
253.19540	9.9
255.20961	6.0
257.22409	4.4
259.16965	8.5
261.18433	19.7
265.19489	5.1
267.08987	12.5
273.18420	10.8
285.10147	16.9
287.20041	7.7
289.21719	5.0
293.22641	4.1
295.24130	6.1
303.20697	4.0
311.27393	5.2
317.12573	5.4
324.11493	6.8
340.12646	6.1
341.24844	8.4
348.15112	4.1
363.30542	20.8
367.29834	6.8
369.24008	5.0
373.28867	8.4
381.31503	14.3
391.29889	47.8
395.29370	16.7
409.30951	100.0
410.31296	7.1
419.29254	28.8
423.32626	54.4
427.31863	12.9
437.30548	83.6
441.28558	4.8
441.33743	79.6
442.34070	5.2
451.32111	7.8
453.21429	5.8
455.31473	22.4
469.33533	34.9
473.32449	10.0
487.33752	26.1
512.30511	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	487.3412
Annotation	Poricoic acid G
Peak:m/z	Relative Intensity
54.63583	2.6
55.05493	10.2
60.97660	3.3
63.45299	3.0
64.89346	2.8
67.05492	19.5
69.07049	15.3
70.96553	8.7
71.04984	5.6
79.05471	12.6
81.07041	32.2
83.08607	13.7
91.05464	13.8
93.07029	34.2
95.08588	44.1
105.07004	40.5
107.08576	56.9
109.10142	34.8
117.06992	4.7
119.08559	64.4
121.10130	96.3
123.08025	8.9
123.11669	20.6
131.08527	31.9
133.10097	59.7
135.11694	28.9
137.13248	8.5
143.08516	7.1
145.10100	42.1
147.11656	36.4
149.09610	10.1
149.13229	12.7
153.09047	7.5
157.10123	13.4
159.11670	23.5
161.09457	3.5
161.13248	17.6
163.14818	18.6
165.09113	4.4
167.10712	5.3
171.11682	12.1
173.13228	26.4
175.11206	3.7
175.14809	50.3
177.16356	19.1
179.10678	3.6
183.11690	5.1
185.13251	9.7
187.14813	70.7
187.16505	3.9
189.12683	3.1
189.16357	51.8
191.14310	3.4
191.17903	6.0
193.15923	8.2
199.14792	15.5
201.16353	42.7
203.14195	5.1
203.17882	14.3
205.15833	8.3
209.15285	4.2
213.16345	11.6
215.17972	19.8
215.19720	2.9
217.15884	3.8
221.87000	2.8
223.16998	4.2
227.17723	4.1
229.16034	4.0
229.19464	6.2
231.17365	5.1
233.15306	7.5
235.16922	5.1
241.19502	5.3
247.16873	7.3
248.18878	4.1
248.29881	3.3
249.18375	5.4
253.19623	4.7
255.20927	3.9
309.25751	4.5
323.27206	4.1
355.26321	13.4
361.41916	3.3
369.27844	14.0
379.33484	3.6
381.31580	18.6
383.33069	6.1
405.31424	20.9
407.32977	3.4
409.30774	3.1
423.32538	100.0
424.32858	3.5
425.34045	8.0
427.32043	45.9
433.30942	7.1
441.33643	7.9
451.32254	13.7
469.33136	28.3
487.34164	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	487.3413
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03951	3.2
55.05491	6.3
67.05491	6.3
69.07044	11.6
69.55872	20.9
69.56306	9.3
71.04964	5.6
79.05494	7.5
81.07040	27.8
83.08591	9.4
91.05460	11.4
93.07044	24.8
95.08598	46.2
97.10157	6.1
105.07014	33.8
107.08579	48.7
109.06488	4.7
109.10139	22.0
117.06994	3.5
119.08569	89.1
119.99297	2.9
121.10130	87.9
123.08035	6.3
123.11648	16.1
125.09550	3.0
131.08563	17.4
133.10109	54.0
135.11661	23.9
137.09622	4.5
137.13237	12.9
143.08554	7.2
145.10097	41.4
147.11681	32.5
149.13228	20.9
153.09052	9.0
157.10072	9.8
159.11668	23.4
161.09615	4.9
161.13268	17.7
163.11143	4.2
163.14830	25.6
165.09016	5.0
165.16411	3.3
165.23938	3.0
167.10638	3.8
169.10197	3.0
171.11670	6.6
173.13251	23.7
175.14807	40.1
177.12820	3.7
177.16356	20.4
179.14253	5.5
185.13275	6.2
187.14803	100.0
188.15097	3.9
189.16367	93.7
190.16676	5.1
191.14281	5.7
191.17955	12.3
193.15790	5.8
199.14771	12.8
201.16397	49.0
203.14148	3.0
203.17917	39.1
205.19536	4.3
207.13641	3.6
207.17421	4.0
209.13329	3.6
213.16357	18.8
215.17955	19.5
217.15703	4.7
221.15234	4.2
222.72455	2.7
223.14812	3.7
225.16542	3.7
227.17970	8.2
229.19398	3.0
231.17372	4.5
233.15353	5.3
235.16924	17.8
239.17892	5.0
241.19484	4.1
243.20984	3.4
244.11627	3.3
247.16922	11.0
249.18523	19.8
253.19427	3.3
255.21097	3.5
259.16766	4.9
261.18533	9.3
267.20984	5.1
267.64209	3.0
272.31039	3.4
273.18381	3.8
309.25641	15.5
323.27036	5.3
333.25818	4.4
355.26279	7.0
369.27798	12.5
377.31857	5.6
379.26263	9.7
381.31372	12.4
383.32965	3.8
387.30432	7.8
397.27164	7.1
405.31442	43.2
409.30826	10.5
423.32535	78.4
424.32300	3.9
425.34024	9.8
427.32245	22.0
433.30890	10.9
441.33661	35.0
451.32034	22.6
469.33209	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	487.3412
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
51.68202	2.1
55.05503	5.8
57.07055	2.1
67.05488	6.8
69.07063	6.9
70.15165	2.3
71.57430	3.9
75.68702	2.2
79.05479	8.1
81.07053	15.1
83.08616	3.9
85.02890	2.2
85.06513	2.0
90.95027	2.3
91.05460	13.2
93.07032	20.0
95.08586	23.8
99.08087	14.6
101.05948	3.1
105.07014	30.0
107.08581	51.0
109.10149	12.4
111.08093	2.8
117.06983	3.4
119.08565	68.2
121.10120	27.0
123.08078	5.9
123.11687	6.8
125.09554	2.0
128.09523	2.3
128.27011	1.8
129.06917	2.3
131.08565	24.9
133.10104	41.1
135.08023	17.4
135.11679	28.5
137.09628	4.8
137.13216	3.1
143.08553	3.5
145.10110	27.8
147.11668	50.5
149.09576	3.9
149.13255	8.9
151.07527	5.1
156.01959	2.1
157.10104	7.1
159.11658	22.2
161.09587	7.0
161.13248	20.6
163.11177	9.6
163.14816	9.1
171.11642	5.0
173.13243	19.7
175.11192	5.7
175.14769	13.5
177.12798	5.1
177.16414	7.3
179.14287	12.8
183.11620	3.4
185.13254	10.1
187.11142	3.0
187.14778	57.9
188.15129	3.2
189.12695	3.4
189.16339	13.3
191.14279	7.5
191.17908	2.4
197.02840	2.1
199.14825	5.3
201.16360	55.4
203.14244	12.1
203.17969	4.7
205.15871	23.4
207.17448	3.0
213.16418	5.2
215.14490	2.4
215.18002	5.0
217.15858	7.8
219.17430	8.9
221.15274	10.0
227.18074	3.2
229.15868	10.8
231.17448	6.6
235.16943	5.2
241.19650	2.9
243.17436	4.0
247.16936	7.8
249.14778	2.0
255.21147	2.7
259.20654	2.4
261.18518	5.6
267.68515	2.2
293.60373	2.0
306.00247	2.4
351.26895	5.7
352.23273	2.2
363.26654	2.5
369.27829	7.2
387.30353	4.3
395.33044	2.4
402.50891	2.4
405.31445	41.4
406.31885	3.7
423.32529	100.0
424.32874	4.8
433.30829	3.1
441.33618	76.1
442.33685	4.0
451.32227	10.0
469.33105	22.9
481.18076	2.8
487.34464	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	487.3412
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05494	11.3
55.25579	2.9
57.07069	3.4
63.82987	3.2
65.03915	3.8
67.05486	18.6
69.07060	20.9
70.98950	7.4
70.99312	4.4
72.86019	2.6
73.59766	2.7
76.11095	2.9
79.05483	12.3
81.07036	31.8
83.08591	15.0
87.95766	3.2
91.05463	21.3
91.05949	3.8
93.07024	33.9
95.08582	55.6
96.08878	3.2
97.10155	5.9
105.07007	38.7
107.08577	74.1
109.10143	45.7
111.08059	3.7
117.06997	5.4
119.08559	58.6
121.10126	71.9
123.11666	18.8
129.06984	5.8
131.08537	19.1
133.10106	47.1
135.11667	62.8
137.13220	7.3
139.11124	3.4
141.06960	3.1
143.08545	11.1
145.10104	26.8
147.11658	31.5
149.09592	5.1
149.13226	34.7
157.10085	16.2
159.11685	30.4
161.09578	3.5
161.13235	21.1
163.14799	59.8
169.10074	5.9
171.11674	13.3
172.12411	3.3
173.13232	32.1
175.14764	30.2
176.48669	4.0
177.16301	19.6
179.14212	3.2
183.11613	6.3
185.13239	15.1
187.14799	23.8
189.16356	38.2
191.14410	6.1
191.17912	63.5
193.15901	6.7
197.13164	6.3
199.14780	21.3
201.16339	40.9
203.14297	11.8
203.17953	13.5
205.15833	9.3
207.13850	3.8
207.17439	9.6
211.14812	3.5
213.16324	11.5
215.14331	3.5
215.17903	23.2
217.15834	11.9
217.19423	6.1
219.17430	3.7
223.16859	4.7
225.16496	4.9
227.17975	22.6
229.19539	13.2
233.15309	5.8
233.18964	4.8
239.17799	6.6
241.19572	7.2
243.17342	5.9
247.16914	6.3
247.20558	4.8
249.14844	11.6
255.21022	4.2
257.22549	3.7
259.16788	5.0
261.18396	16.7
263.16266	7.1
263.32104	3.8
267.20880	3.6
273.18527	18.3
279.21362	3.9
281.22382	4.0
283.20367	4.2
287.19962	4.3
289.17816	4.3
303.19421	5.3
313.21454	4.1
321.20551	6.9
325.62085	3.1
341.08383	3.7
353.24734	4.2
373.23645	4.3
377.32025	16.7
387.30344	7.0
395.33057	51.5
405.31482	13.4
411.32379	6.2
423.32614	68.8
424.33112	3.8
433.30972	38.2
439.32309	5.8
441.33554	75.2
451.32071	54.0
469.33109	100.0
487.34180	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	487.3415
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.05506	7.9
57.03427	1.6
57.07043	3.3
67.05496	9.7
69.06744	1.1
69.07066	9.5
69.18661	1.3
71.04983	2.0
71.79116	1.5
73.06544	1.5
73.85738	1.5
79.05480	10.9
81.03370	1.7
81.07045	23.7
83.04945	2.0
83.08601	4.5
83.89456	1.4
85.02954	1.3
91.05476	10.6
93.07018	16.5
95.04937	2.9
95.08592	22.8
97.06501	3.4
97.10129	2.1
105.07018	20.8
107.08578	25.9
107.83191	1.4
109.06496	4.4
109.10146	17.0
111.08057	1.5
117.06985	6.6
119.08562	23.9
120.08907	1.9
121.10120	21.5
123.08096	3.1
123.11688	7.0
123.83020	1.5
125.09592	5.0
129.06992	4.8
131.08559	16.3
133.10092	18.7
135.08061	4.7
135.11678	11.8
137.09586	4.3
137.13243	3.0
143.08536	8.1
145.10086	18.6
147.04361	1.7
147.11670	14.2
149.13240	11.2
151.11209	3.0
151.14813	2.2
155.08522	2.0
157.10124	11.0
159.11673	16.9
161.13229	10.4
163.07513	1.7
163.11160	3.6
163.14780	6.9
167.10620	1.7
169.10092	6.3
171.11653	9.9
173.13226	23.4
174.13589	1.4
175.11166	2.2
175.14796	13.6
177.12712	3.2
177.16309	4.0
179.14255	1.7
181.10094	2.0
183.11650	5.4
185.13239	11.1
187.14777	17.4
189.12805	1.8
189.16380	6.0
191.14255	2.4
193.12198	2.1
195.11650	2.4
197.13184	3.4
199.14803	11.6
201.12741	2.0
201.16360	16.4
203.14223	3.3
203.17981	3.5
205.15865	3.7
207.11722	1.4
209.13254	2.3
211.14825	4.2
213.16339	16.5
214.17027	2.2
215.17912	100.0
216.18199	2.2
217.15813	3.0
217.19478	2.9
219.13731	2.8
223.14769	1.8
225.16353	5.5
227.17899	14.0
229.15756	2.2
229.19493	3.3
231.17494	1.6
233.15305	2.0
237.16521	1.6
239.17905	7.4
241.19466	4.8
242.59006	1.4
247.16823	7.1
251.17906	1.9
253.19511	4.7
259.16937	6.9
261.18460	63.7
265.19458	1.7
271.16913	2.2
273.18399	5.3
279.20966	4.6
281.22586	4.5
293.22653	2.0
295.24152	6.0
299.20096	1.7
305.22528	1.5
307.24207	1.9
325.21561	3.3
327.23267	6.8
333.25906	1.9
335.27338	2.6
339.23199	2.2
341.24722	6.5
349.28812	2.4
353.28485	4.6
369.27933	1.8
371.22025	4.8
375.30331	5.6
377.28305	2.8
393.31458	92.2
394.31787	3.0
395.29263	14.5
396.29318	1.5
397.31216	3.3
405.31461	4.7
421.30875	11.1
423.28159	11.0
423.33719	2.2
433.30978	2.5
439.32065	19.8
441.28995	13.3
443.27686	2.1
451.32343	4.0
469.29514	6.3
477.25363	1.4
487.29056	12.2
487.35074	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3409
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05499	7.6
65.33405	4.8
66.45809	4.6
67.05481	15.5
69.07063	12.1
71.58898	10.0
79.05471	8.6
81.07048	27.8
83.08599	9.7
87.94570	4.3
91.05448	9.5
93.07008	27.6
95.04943	7.1
95.08584	42.6
97.06519	5.9
105.07019	35.1
107.08583	44.3
109.10134	35.3
114.29782	5.7
119.08565	56.2
121.10121	70.0
123.08040	8.6
123.11684	21.6
131.08557	11.5
133.10124	43.0
135.11656	40.9
137.13234	8.8
139.11209	5.4
144.09399	5.0
145.10071	27.3
147.11650	19.3
149.13237	10.1
153.09151	7.1
157.10085	9.4
159.11658	21.2
161.13229	15.1
163.14807	20.8
165.09116	9.2
166.22253	4.6
171.11726	6.1
173.13248	21.1
175.14824	38.3
177.16345	16.0
179.10728	7.8
185.13301	10.4
187.14775	43.6
189.16351	47.0
199.14801	16.9
201.16342	27.8
203.17926	25.1
207.13715	4.7
213.16377	21.7
215.17952	17.7
217.15811	10.7
231.17415	8.8
243.20978	4.9
247.17026	6.5
307.24179	4.9
309.25449	5.5
355.26398	6.6
405.31613	23.9
407.32892	5.3
423.32529	100.0
424.32977	11.0
433.30600	8.2
441.33875	7.6
451.32065	49.8
469.33002	18.1
487.33795	5.7
505.18964	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	487.3412
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05497	5.9
57.07046	1.6
64.77213	1.1
65.03929	1.4
67.05498	8.8
69.07060	10.0
79.05502	6.4
81.07050	18.2
81.49037	1.0
83.08604	5.1
91.05473	8.7
93.07029	17.5
95.08597	38.9
97.10155	2.7
98.21436	3.3
105.07009	24.7
107.08575	32.1
109.06537	1.2
109.10137	19.0
111.08016	2.0
119.08564	38.4
121.10124	32.1
123.08048	2.4
123.11700	5.8
125.02689	1.0
125.05943	1.3
129.06993	1.3
131.08534	6.7
133.10112	35.9
135.08067	2.1
135.10724	2.1
135.11665	23.8
137.09566	1.8
137.13184	1.3
139.07497	1.2
143.08565	2.4
145.10104	14.4
147.07980	1.4
147.10545	2.1
147.11655	26.3
149.09618	1.9
149.13235	25.7
153.09108	3.1
157.10014	2.5
158.10896	2.6
159.11684	9.1
160.12465	1.3
161.09621	1.3
161.13257	12.0
163.11137	2.3
163.14795	25.0
165.09062	2.1
167.10643	1.5
171.11699	2.3
173.13255	17.0
175.11241	2.4
175.14801	35.1
177.12827	1.7
177.16360	22.1
185.13206	3.5
187.13542	0.7
187.14784	27.4
189.12823	2.4
189.16356	49.5
191.10609	1.4
191.14240	12.0
191.17928	9.1
193.15857	7.8
199.14783	2.1
201.12724	1.4
201.16344	8.6
203.17929	63.4
205.12184	2.7
205.15826	3.4
205.19547	3.1
213.16267	1.8
217.15883	1.7
217.19551	3.3
219.13765	23.3
221.15298	4.2
223.16840	1.4
229.15721	1.6
231.13814	1.4
231.17380	5.1
233.15413	9.2
235.16846	3.5
237.14821	44.9
245.15273	1.8
247.16853	2.2
249.18427	9.2
251.16379	4.7
263.16489	1.6
271.24130	1.2
278.02081	1.5
357.86578	0.9
377.31927	2.7
381.27856	1.2
387.30496	2.1
395.32971	8.3
397.34720	1.4
405.31525	11.6
423.27194	1.9
423.32556	29.8
424.32874	1.1
432.93094	1.3
433.30920	3.4
441.33588	100.0
442.33847	3.8
444.21124	1.5
451.31879	6.6
469.33124	3.9
487.34152	33.5
495.31567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3272
Annotation	Discarine F
Peak:m/z	Relative Intensity
55.05498	0.3
58.06593	8.5
64.84998	0.2
67.05497	0.5
69.03416	0.2
69.07059	2.6
70.06594	0.3
70.15343	1.0
71.04993	0.2
79.05470	0.4
81.03411	0.3
81.07036	2.1
84.08122	1.0
85.02892	0.8
86.09695	17.2
89.93167	0.2
91.05463	0.7
93.07025	1.2
95.04943	0.4
95.08594	0.9
96.08115	0.2
97.02856	0.3
98.20776	0.2
100.11242	100.0
101.11565	0.9
105.07012	0.7
107.08594	0.8
109.10158	0.8
112.07590	0.5
114.09096	0.2
114.12788	0.4
115.13113	0.3
119.04902	0.3
119.08567	1.0
121.10140	0.5
123.08027	0.5
127.12325	0.2
131.08571	0.2
133.02859	0.7
133.10110	0.7
134.05980	1.2
135.08066	0.3
135.11685	0.3
136.07610	0.3
137.05983	0.3
137.09673	0.3
140.07040	0.5
143.08517	0.3
145.04984	0.3
145.10127	0.8
145.13361	1.4
146.05972	0.3
147.04347	0.3
147.11656	0.3
149.13330	0.2
151.11168	0.3
157.10139	0.2
159.11711	0.3
160.07489	0.3
163.03908	0.4
168.17445	2.7
169.10014	0.2
173.13255	0.3
174.12801	0.3
175.03882	0.4
185.13123	0.2
190.12289	0.3
202.12259	2.4
211.18015	0.4
213.19594	0.8
215.51840	0.2
225.16064	0.7
239.17503	9.0
249.16077	0.4
259.09534	0.3
271.31998	0.2
275.13861	0.5
289.25235	0.3
302.96307	0.2
307.26276	0.3
315.20660	0.9
324.26794	0.3
325.10587	0.5
346.24982	0.5
352.25919	2.1
360.22815	0.7
374.19778	0.4
374.24316	2.7
388.22269	16.0
389.22552	0.5
389.26950	0.3
456.28580	1.9
459.33304	2.1
469.32367	1.6
487.32965	6.0
488.32840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1851
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
53.03925	0.4
55.01843	0.8
56.05014	0.5
62.25120	0.3
62.38139	0.3
63.69585	0.3
65.03923	0.3
67.05466	0.8
69.03426	2.5
69.07037	0.4
69.77210	0.8
69.77618	1.9
70.06567	1.0
71.04960	0.8
72.08141	0.5
73.02888	0.5
74.00648	0.7
76.03984	1.4
79.05466	0.9
80.04990	0.5
81.03414	2.0
81.07032	1.0
83.04980	0.7
83.06091	0.4
84.04496	5.6
84.08159	0.3
85.02901	2.7
85.04003	1.4
85.06473	0.3
86.06042	1.1
86.09686	1.7
87.04453	16.6
89.03896	0.6
91.05474	2.1
92.01698	0.4
93.05778	2.5
93.07020	1.2
94.06544	1.2
95.04936	1.6
95.08596	0.7
96.08085	0.4
97.02860	1.1
98.00626	0.4
99.02650	1.0
99.04433	0.6
99.05549	0.6
101.07024	0.3
103.05442	0.7
105.07005	0.6
106.06537	0.6
107.07339	0.4
107.08569	0.9
109.02863	1.7
109.06514	0.6
109.10128	0.6
110.06025	0.6
111.04434	0.4
112.03906	0.4
114.09177	1.9
114.10255	0.5
117.03389	1.2
117.06941	0.4
119.04926	1.0
119.08569	0.7
120.08107	0.7
121.06486	0.9
121.10114	1.1
122.05983	0.6
123.04474	0.3
123.08036	0.5
125.05916	0.5
126.03722	11.7
127.02109	0.6
127.03867	1.3
129.05455	0.3
129.10233	0.3
130.04997	2.5
130.08583	0.5
131.04526	1.2
131.08556	0.4
132.08063	2.8
133.02861	3.2
133.03769	0.6
133.08897	1.8
133.09836	0.3
134.09586	0.6
135.02618	0.9
135.04393	0.7
135.07996	0.5
136.07477	0.7
137.05948	2.1
138.03685	1.1
140.06979	0.4
144.08092	0.5
145.02864	1.7
145.04967	0.5
145.06067	1.2
145.07523	0.7
145.10062	0.7
147.04413	1.5
147.07825	0.3
148.07503	0.4
149.05914	1.6
149.09554	0.5
150.06709	0.5
150.09102	0.8
151.07471	0.6
151.91313	0.3
152.05281	2.6
157.10088	0.3
159.08051	0.4
159.11626	0.8
160.07552	1.7
160.09703	1.0
161.06000	0.7
161.08315	2.6
161.09520	0.5
162.09097	0.7
163.03888	3.8
163.07498	0.6
164.52843	0.3
165.05460	0.5
166.05428	0.7
166.06830	9.9
167.06992	0.3
168.04758	1.3
173.13223	0.5
175.03876	1.3
175.07535	0.4
175.14774	0.5
176.05238	1.4
177.03258	4.9
177.05511	2.7
178.08636	0.6
179.07143	0.3
179.09363	2.5
180.04779	1.3
180.10172	5.8
181.06232	0.3
182.11786	1.5
184.07863	2.2
185.03738	1.4
187.07584	0.4
191.08284	0.4
192.08406	1.1
194.06329	15.6
196.07945	0.6
200.13910	0.4
201.05363	1.1
201.08931	0.4
203.06969	0.5
207.06554	0.4
212.07367	100.0
213.07713	0.9
214.08879	0.8
220.07855	1.2
228.13275	0.3
231.04321	5.9
238.08925	5.6
240.06860	0.3
248.07535	1.8
249.05504	0.4
253.15837	0.6
255.11600	6.0
265.10229	1.7
266.08432	10.6
271.16904	0.8
283.11075	4.9
287.13980	0.6
288.06491	0.6
288.14767	0.4
289.17862	1.2
306.07550	0.5
307.18906	1.8
308.13040	0.4
321.12384	1.4
325.10727	2.2
325.19812	0.4
349.12210	0.4
358.14258	18.1
381.95511	0.3
394.14279	0.6
412.15329	0.5
469.15100	0.7
487.18359	4.2
487.25116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
54.03948	0.2
55.01847	0.6
56.05016	0.5
57.03410	0.5
61.02910	0.3
62.03973	0.2
65.03887	0.3
67.05476	0.6
69.03406	2.1
69.07047	0.3
70.06563	0.9
71.04958	0.4
71.79077	0.3
72.08118	0.4
74.00655	0.3
76.03998	1.4
79.05463	0.6
80.05017	0.6
81.03415	1.5
81.07025	0.4
83.04963	0.9
83.06066	0.2
84.04494	5.2
84.08113	0.4
85.02885	2.0
85.04020	1.4
86.06040	1.1
86.09685	1.5
87.04453	17.7
89.03887	0.4
90.72110	0.3
91.03918	0.3
91.05452	1.5
92.01693	0.6
93.05768	2.3
93.07027	0.8
94.06535	0.8
95.04941	0.8
95.08572	0.5
96.08103	0.3
97.02868	1.2
98.00619	0.3
99.02695	0.5
99.05574	0.7
99.91709	0.2
103.05440	0.9
105.07008	0.8
106.06517	0.8
107.07310	0.6
107.08568	0.7
109.02854	1.6
109.06456	0.4
109.10139	0.6
110.06037	0.6
111.04412	0.4
113.03465	0.6
114.09129	1.3
114.10288	0.3
115.09471	0.3
117.03355	1.1
119.04927	1.5
119.08556	0.7
120.08107	0.7
121.06477	0.8
121.10156	0.7
121.39199	0.3
122.06013	0.7
123.08025	0.4
126.03724	11.1
127.02079	0.6
127.03911	1.4
129.06578	0.5
130.04976	3.2
130.08643	0.4
131.04529	1.0
131.08546	0.3
132.08067	2.9
133.02838	3.8
133.08829	1.8
133.10043	0.3
134.09647	0.7
135.02592	0.7
135.04387	0.8
136.07568	0.5
137.05954	2.7
138.03760	1.2
141.10161	0.3
142.49319	0.3
145.02782	1.5
145.04976	0.5
145.06151	0.8
145.07579	1.0
145.10071	0.7
146.08090	0.4
147.04373	1.5
147.11702	0.3
148.07535	0.5
149.05940	2.0
150.06699	0.8
150.09128	0.5
151.07532	0.5
152.05264	1.9
153.06619	0.3
160.07515	1.6
160.09628	0.6
161.06071	0.4
161.08372	2.9
162.09102	1.0
163.03874	3.9
163.07474	0.8
164.07082	0.5
164.10698	0.4
165.05389	0.3
166.06844	10.6
167.07053	0.3
167.10655	0.3
168.04778	1.0
171.11562	0.2
173.09570	0.4
173.13162	0.4
175.03909	1.4
175.14822	0.3
176.05272	1.1
177.03279	4.2
177.05457	2.4
178.08501	0.5
179.06949	0.3
179.09389	2.2
180.04814	1.6
180.10165	5.8
181.06181	0.4
182.11757	1.1
183.11563	0.4
184.07843	2.1
185.03769	2.0
187.07513	0.5
191.08180	0.7
192.08447	0.7
194.06322	16.6
196.07928	0.5
200.13914	0.7
201.05399	1.2
203.07542	0.3
205.06352	0.3
207.06432	0.6
212.07365	100.0
213.07652	0.8
214.08934	1.0
220.07884	0.9
222.80267	0.3
231.02180	0.5
231.04329	5.8
233.06160	0.4
238.08925	5.8
248.07367	1.9
255.11591	6.5
265.10156	1.5
266.08435	8.6
271.16898	0.8
277.99054	0.3
283.11078	5.0
287.14111	0.5
288.06299	0.7
288.14557	0.5
289.17960	0.6
293.08014	0.4
306.07498	0.6
307.09656	0.4
307.12912	0.4
307.19028	1.7
308.13132	1.0
321.12674	1.4
325.10718	3.1
340.13083	0.3
345.21988	0.3
358.14246	15.6
394.14343	0.7
403.44150	0.3
412.15201	1.0
469.15561	0.8
487.18301	4.2
487.24692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.05505	21.6
57.07055	12.9
62.73454	3.0
67.05492	24.5
69.03389	5.1
69.07068	24.0
71.05005	3.9
71.31873	3.3
71.79231	6.5
74.53194	3.5
79.05468	17.0
81.07050	56.3
82.77154	3.6
83.08591	13.2
85.06516	6.0
86.09693	46.3
91.01349	3.6
91.05460	25.0
92.90912	3.4
93.07034	47.9
95.04945	6.0
95.08601	69.8
96.08932	6.5
97.10127	5.6
100.02886	4.0
105.07017	71.5
106.26820	3.6
107.08574	82.8
109.06474	5.7
109.10151	49.2
117.07000	7.6
119.08566	100.0
121.06462	4.4
121.10131	90.7
122.10448	11.0
123.08047	9.9
123.11689	23.8
124.65014	3.7
125.09664	4.7
129.06995	4.3
131.08543	56.8
133.10106	60.0
135.11678	35.5
137.09619	13.8
137.13242	14.2
139.07486	4.6
139.11188	4.8
142.07742	6.0
143.08505	21.2
145.10097	71.1
146.71892	3.8
147.08058	6.8
147.11674	40.4
149.09616	6.3
149.13239	20.3
151.11168	8.9
155.08507	4.6
157.10135	30.8
158.10626	6.7
159.08026	5.8
159.11679	46.0
161.09619	5.1
161.13211	24.1
163.11163	11.7
163.14793	35.3
167.08493	5.1
169.10127	13.3
171.11617	24.2
173.09628	5.4
173.13251	50.5
175.11185	6.3
175.14798	55.6
176.15134	4.6
177.12750	4.8
177.16345	18.7
181.10060	4.8
183.11684	14.0
185.13219	23.4
187.11247	3.9
187.14784	86.2
188.15155	7.9
189.12677	4.5
189.16360	77.9
190.16692	6.6
191.14322	18.4
191.17950	4.7
193.15900	6.0
195.11694	5.5
197.13266	12.1
199.14755	28.3
201.12564	5.5
201.16397	31.7
203.14279	5.9
203.17909	10.8
205.15874	13.2
209.13280	5.4
211.14807	14.5
213.16338	31.3
215.14191	10.5
215.17972	14.5
217.15857	21.2
219.13521	5.4
223.14714	4.6
225.16405	9.4
227.17960	8.7
229.15862	6.7
231.17436	14.7
231.85913	3.8
233.15363	11.2
233.18996	4.7
235.16901	11.7
237.16312	5.1
239.17981	5.9
243.17653	5.5
257.15506	4.1
261.14874	5.3
295.24319	3.9
299.19995	4.9
310.26038	6.2
319.24170	13.0
332.15475	5.6
335.27127	4.9
337.25339	8.4
355.26373	4.6
356.26334	5.7
365.24664	15.9
377.31909	12.8
379.26520	5.2
381.24088	12.7
383.25696	12.5
387.30554	5.6
395.32980	10.1
405.31439	50.9
406.31866	4.2
421.31137	4.6
422.31268	11.0
423.32651	49.2
433.30994	31.3
441.33389	5.0
451.31989	79.9
468.31747	11.3
469.33267	47.0
486.35785	48.2
487.34207	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	486.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88377	1.7
55.05499	4.5
57.07064	1.8
59.89342	1.8
64.11288	1.7
67.05495	5.6
68.01478	1.6
69.07066	5.2
69.98033	1.6
70.95208	4.1
70.95570	3.9
72.17638	1.8
79.05466	2.3
81.07044	7.8
83.08600	5.7
85.06536	1.9
91.05482	5.8
93.07021	7.7
95.08572	12.6
105.06979	9.4
107.08583	11.1
109.10171	10.8
114.38851	1.5
114.51655	1.7
117.07032	5.3
119.08573	14.9
121.10145	11.7
123.11692	4.0
129.06981	4.2
131.08569	12.2
133.10103	9.1
135.11662	8.2
137.13278	2.1
139.11169	4.5
143.08527	8.1
145.10072	21.6
147.11670	6.2
149.13225	2.4
151.11195	3.8
153.12695	4.0
155.08575	3.3
157.10164	9.3
157.11285	1.9
159.11691	7.4
161.13242	2.5
163.14818	3.1
169.10114	7.1
170.10948	2.3
171.11664	20.5
172.12418	1.9
173.13228	12.8
175.14833	4.0
177.16368	2.0
181.10136	4.3
181.12122	1.9
183.11678	11.3
185.13245	24.7
187.11174	5.4
187.14777	34.1
189.12782	2.4
189.16451	4.7
193.10173	2.2
195.11646	5.3
197.13264	7.6
199.14778	12.2
201.16417	2.5
207.11652	2.2
209.13202	6.7
211.14874	3.1
213.16342	3.9
221.13252	2.4
223.14786	9.5
225.16330	4.7
227.17940	3.7
229.12193	2.2
231.13846	3.8
233.11597	2.5
235.14740	3.7
237.16452	10.7
239.17973	4.2
243.17581	2.1
247.14876	2.0
251.18036	6.0
253.19440	2.1
255.17422	4.4
256.26428	2.1
263.17749	2.9
265.19562	3.0
269.15283	5.0
269.18787	1.7
275.12769	3.2
275.17813	3.1
279.17447	1.8
281.15503	3.8
281.18890	2.2
283.16992	3.6
289.19531	5.0
291.21164	2.1
293.19037	1.5
293.22659	8.4
303.21039	16.8
309.18198	1.7
321.22171	3.8
335.23621	7.8
339.23132	20.5
345.25702	3.1
349.21573	44.8
359.27258	25.9
361.28943	2.2
375.23206	2.5
377.28329	54.7
379.30084	2.2
390.25620	4.0
405.27832	100.0
406.28452	2.7
407.29303	11.4
423.28882	57.7
433.27283	4.0
435.11700	2.2
451.28366	68.6
469.29739	2.1
486.32474	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	486.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
54.39192	1.1
55.05501	15.9
57.03420	2.0
57.07055	2.6
67.05495	10.6
69.03418	2.0
69.07058	22.9
69.98791	6.6
70.06270	1.1
70.06584	9.5
72.08133	9.3
79.05482	10.5
81.03395	1.5
81.07050	19.8
83.08603	13.8
84.08135	1.4
85.02911	1.4
86.09697	15.6
90.75044	1.2
91.05467	13.3
93.06420	1.6
93.07029	30.6
95.04942	2.7
95.08593	60.4
97.06483	2.1
97.10157	11.0
99.08060	1.5
105.07027	8.9
107.08579	70.4
108.08884	1.5
109.02839	1.7
109.06469	1.8
109.10141	15.6
110.06065	2.1
114.09150	9.4
118.06520	13.7
119.04930	1.4
119.08569	3.4
121.10126	100.0
123.08033	1.5
123.11674	7.8
125.09646	2.5
127.03861	1.7
130.06491	5.3
130.07460	1.2
130.08614	4.9
133.10066	3.2
135.11684	24.5
136.03871	1.4
137.05911	1.4
137.13234	24.6
139.11147	6.4
142.06522	2.0
143.07193	1.2
144.08061	10.9
146.05988	41.9
147.04395	1.6
149.13219	10.5
160.07549	1.9
163.03873	2.3
166.08630	2.0
170.06009	4.7
170.09604	1.4
171.11784	1.2
175.04008	1.4
175.14784	2.3
177.16360	77.5
182.09630	1.5
182.15385	2.4
188.07043	94.7
188.48906	1.2
194.11356	1.3
195.17424	4.0
199.18033	4.2
210.14859	2.7
214.08643	2.7
229.15460	3.4
240.10170	1.4
256.16574	1.3
264.07376	1.2
292.08112	2.8
303.13538	1.9
317.09680	1.4
355.22687	1.6
364.22696	6.9
382.23688	17.4
468.23853	3.3
468.30655	1.7
486.17459	2.4
486.25229	4.3
486.32053	3.9
505.56393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
54.71360	0.6
55.01854	2.5
55.05503	17.7
56.05012	1.3
57.03419	2.1
57.07066	4.1
58.06585	0.7
58.99577	11.5
63.83824	0.7
64.15321	0.8
65.03915	1.9
67.05495	37.4
69.03409	2.9
69.07062	15.5
70.06577	1.2
71.04955	1.9
71.08603	1.3
71.79543	0.9
72.04505	1.0
72.08133	2.5
76.02216	55.3
76.03976	2.9
79.05482	12.8
80.05007	1.0
81.03397	2.1
81.05774	1.2
81.07044	42.0
82.06551	1.2
83.04985	4.3
83.06076	2.5
83.08608	8.3
84.04492	18.8
84.08115	2.3
85.01080	0.7
85.02882	2.5
85.06534	1.9
86.09673	1.5
86.99036	3.8
88.02203	2.0
91.05468	8.8
93.06493	1.3
93.07031	14.8
94.06514	1.2
95.04954	5.9
95.08591	55.0
96.08090	3.0
97.01039	0.7
97.02847	1.5
97.06501	4.6
97.10133	2.9
99.05543	1.2
99.08074	1.1
100.11226	2.0
101.05974	0.8
105.07012	11.8
107.08573	11.7
108.08103	2.5
109.02866	1.7
109.06525	4.1
109.10142	32.9
110.10461	0.8
111.08061	2.0
111.11733	0.8
112.03966	1.2
113.04138	0.7
113.88716	0.8
114.09149	56.9
114.12801	5.1
115.13094	2.0
116.01669	18.1
117.06991	2.3
119.03378	0.7
119.08552	14.6
120.08030	1.0
121.10123	6.3
123.08042	4.0
123.11678	4.8
124.02131	0.7
125.09589	0.8
127.03957	1.2
127.07557	1.0
128.07030	1.8
129.06523	4.9
130.05011	5.6
130.06839	2.5
130.08652	4.0
131.08553	2.1
133.02788	1.1
133.10115	6.3
134.09567	1.4
135.08043	0.8
135.11685	5.1
136.11177	2.2
137.05919	1.2
137.09596	3.8
137.13211	3.1
139.05754	1.7
139.11130	1.0
140.07034	1.0
140.09093	0.7
141.07304	1.1
142.03189	4.3
143.08493	0.8
144.01146	11.8
145.02795	1.0
145.04907	1.0
145.06160	1.4
145.10072	2.3
147.04427	1.0
147.07990	1.0
147.11659	2.8
149.09570	1.1
149.13193	1.9
151.14806	15.6
157.10107	1.9
158.08119	6.8
159.11668	1.8
160.09669	59.8
161.09657	1.2
161.13234	11.8
162.02184	37.9
163.03923	3.5
163.14793	1.2
164.08150	0.8
169.10106	1.0
170.02707	3.1
171.11714	0.9
173.02296	0.8
173.13216	1.0
175.14824	2.3
176.14398	1.1
177.05516	1.4
177.15082	0.9
178.15941	0.9
179.04829	100.0
179.14282	33.7
179.15915	1.5
180.05142	1.0
185.13190	2.3
187.05443	3.8
187.14810	1.0
199.14809	1.2
201.16367	0.9
203.14282	1.2
213.16293	1.4
214.17934	1.2
215.04945	1.1
215.06851	0.9
216.06868	1.2
225.16521	0.9
227.18039	1.1
233.05904	15.2
233.09528	1.4
236.14694	1.5
237.12863	1.1
245.05875	2.3
254.15625	1.2
259.09686	3.8
272.61340	0.8
279.20743	0.9
291.06461	2.1
308.09048	17.2
309.27664	1.0
318.15384	2.6
325.10510	1.9
339.17358	12.8
340.15530	1.1
357.18427	2.4
393.18231	1.8
395.29269	0.7
411.19424	19.5
468.21561	6.7
468.30930	3.2
468.36627	0.9
485.69070	0.9
486.22614	2.5
486.31903	30.3
486.37897	61.0
506.57895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01855	2.8
55.05504	20.4
56.05019	1.8
57.03415	2.4
57.07060	3.8
58.99581	11.7
63.20459	0.8
65.03931	1.8
67.05493	38.8
69.03415	2.2
69.07057	18.7
70.06570	2.1
70.23152	4.9
71.04981	2.7
71.08621	1.3
72.08146	2.6
76.02215	58.7
76.03988	2.7
79.05479	14.4
81.03388	2.4
81.07042	45.8
82.06550	2.0
83.04964	4.4
83.06085	3.2
83.08603	9.4
84.04490	18.6
84.08114	2.2
85.01115	1.5
85.02885	1.6
85.06538	4.2
86.09660	1.2
86.99046	3.8
87.02657	1.6
88.02209	1.2
91.05463	9.2
93.07034	18.6
94.06564	1.9
95.04958	5.5
95.08593	60.5
96.08118	5.5
97.02861	1.5
97.06512	7.2
97.10165	3.1
98.06802	0.8
99.05589	1.0
100.11230	1.0
103.05396	0.9
105.07014	11.8
107.04951	1.2
107.08565	14.5
108.08099	1.0
109.02859	1.7
109.06502	4.0
109.10139	35.4
111.08073	1.3
111.11690	0.9
112.03951	1.2
112.07594	2.1
113.04233	1.9
114.09150	78.6
114.12792	4.1
115.13126	0.8
116.01662	18.1
117.06982	2.0
119.08557	15.0
121.06537	1.4
121.10133	9.3
123.08044	4.7
123.11680	6.9
128.07086	2.4
129.06656	3.3
130.04991	5.8
130.06854	3.5
130.08594	4.4
131.08498	2.0
133.06467	1.0
133.10109	7.0
134.09650	2.0
135.08052	2.1
135.11693	4.9
136.11211	1.6
137.09587	3.0
137.13252	3.5
139.05762	0.9
139.11211	0.9
141.07259	0.9
142.03178	5.1
142.45583	1.0
143.08557	1.9
144.01125	12.4
145.06166	1.0
145.10139	2.4
147.08043	1.0
147.11702	3.1
149.09541	1.4
149.13165	1.7
151.14799	20.2
157.10109	1.7
158.08096	9.1
159.11752	1.5
160.09673	81.5
161.09631	2.2
161.13222	10.2
162.02168	43.8
163.03905	2.2
165.12689	0.9
170.02679	2.1
171.11658	1.1
175.14764	1.4
177.05518	1.2
179.04825	100.0
179.14279	37.3
185.13217	1.6
187.05342	4.4
187.14864	1.4
211.11469	0.9
214.18091	1.1
215.04730	1.6
216.06859	1.1
233.05873	15.1
233.09631	1.7
236.14636	2.4
237.13000	1.9
245.05881	2.1
259.09616	2.4
291.06491	1.1
292.35886	1.0
308.09006	18.3
309.27887	1.4
318.15463	3.3
324.14594	1.4
325.10574	1.0
339.17365	16.2
357.18213	1.9
357.51877	1.0
393.18414	2.2
395.29379	1.2
411.14459	1.5
411.19482	19.1
468.21716	7.8
468.30957	3.0
486.21243	4.9
486.31915	17.1
486.37930	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	485.3257
Annotation	Fupenzic acid
Peak:m/z	Relative Intensity
53.02373	2.3
53.03939	3.6
55.05511	13.6
57.03418	2.8
57.07050	4.8
65.03912	2.4
67.05476	12.2
69.07056	22.6
71.05046	9.1
74.91825	2.9
79.05481	12.3
81.07051	37.2
83.08591	11.3
85.06518	3.1
88.54552	2.3
91.05473	13.8
93.07034	31.0
95.08599	61.3
97.10150	4.0
99.08067	2.5
99.54218	2.3
105.07013	26.9
107.07896	4.4
107.08578	48.8
107.09194	2.0
109.06576	2.8
109.10144	35.1
111.08044	3.3
117.07001	9.2
119.08562	59.7
121.06589	2.5
121.10128	54.8
123.11672	22.0
124.44278	2.4
125.09570	2.4
129.06987	4.4
131.08528	26.2
133.10104	40.3
135.11691	20.5
137.09616	2.8
137.13222	7.6
143.08557	11.0
145.10121	35.2
147.08023	4.1
147.11650	21.9
149.13191	19.1
151.11237	3.8
157.10107	20.3
158.10866	2.3
159.08208	2.8
159.11673	34.7
161.13258	26.3
163.14810	24.3
169.10130	10.5
171.11613	15.4
173.13223	37.9
175.14778	31.4
177.16362	52.1
179.14240	3.7
183.11662	6.3
185.13240	9.4
187.11246	3.6
187.14783	41.7
189.16342	25.7
193.15869	15.3
195.11707	4.2
197.13263	6.3
199.11166	2.9
199.14777	20.6
201.16371	46.4
203.14221	2.9
203.17934	7.3
205.12178	3.5
205.15912	14.6
207.13754	5.1
207.17323	6.5
209.13190	3.8
211.14738	8.3
213.12762	3.1
213.16315	13.5
215.14345	9.1
215.17911	89.5
217.12292	3.1
217.15874	10.4
219.13812	5.3
221.15388	5.2
223.14850	5.3
225.16345	7.9
227.17889	38.4
229.15930	3.6
229.19502	5.1
231.17355	5.0
233.15349	9.2
237.16362	4.8
239.14050	2.6
239.17950	8.0
240.66000	2.5
241.19556	10.1
243.17395	4.2
243.21049	4.9
245.15465	2.6
245.18985	17.9
247.16922	7.4
251.17909	2.8
253.19489	9.3
255.21112	3.9
257.18982	7.1
259.17084	5.6
261.15210	4.5
261.18466	76.8
263.16354	6.5
265.19656	5.3
267.21011	8.7
269.22614	3.1
273.18475	26.0
279.21057	7.1
281.22638	8.2
283.24118	3.2
285.18463	3.6
287.19934	3.3
293.22635	3.8
298.18042	2.8
299.20178	6.5
305.22681	6.5
307.24200	3.8
313.21539	10.4
319.24121	3.9
327.23126	7.4
329.24704	5.7
337.21536	3.2
341.20825	2.9
347.23721	6.7
353.25272	2.9
355.22440	3.3
357.27859	5.1
365.24731	3.8
365.32123	4.9
373.23599	7.2
375.30414	28.1
377.32047	5.8
383.22620	2.7
383.29456	6.8
385.30960	17.9
393.24103	4.0
393.31454	51.8
395.33215	3.8
403.29895	8.4
411.32507	8.6
421.25626	5.0
421.30991	75.2
423.32602	19.6
429.29846	25.7
431.29236	7.1
439.32047	100.0
449.30408	25.8
455.31635	4.3
467.31537	71.3
485.32632	34.8
486.91312	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	485.3254
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
53.03929	2.4
55.05495	7.9
57.07068	2.7
57.08664	1.6
67.05164	1.9
67.05496	13.2
69.07056	13.4
70.51535	1.7
71.04981	1.6
71.23352	3.6
79.05476	15.0
81.06593	2.7
81.07043	35.6
83.08607	7.0
91.05467	22.6
91.98419	1.7
93.07029	41.6
95.04958	4.9
95.08588	46.9
97.06499	3.3
97.10168	2.9
103.05449	2.2
105.07011	44.1
106.38634	1.6
107.08578	60.7
109.06492	3.1
109.10151	24.3
111.04433	3.3
113.06037	1.7
115.05489	1.8
117.07008	6.8
119.08568	63.8
121.06564	1.7
121.10126	60.8
123.08058	3.0
123.11698	16.7
125.05978	3.6
125.09616	2.2
126.26454	1.6
129.06984	4.1
130.07826	2.5
131.08549	34.3
133.10112	44.5
135.08064	3.5
135.11676	31.9
137.09567	4.3
137.13249	6.9
139.07516	3.0
143.08542	9.7
145.10101	44.1
147.08028	11.1
147.11656	26.4
149.09607	2.6
149.13214	9.9
151.14813	2.7
153.09096	3.6
155.08508	2.1
156.09337	3.7
157.10109	12.2
158.10944	3.8
159.08029	3.4
159.11653	28.1
161.09525	4.1
161.13246	24.9
163.07552	3.2
163.14798	15.3
165.09100	4.2
169.10121	6.2
171.11674	14.5
172.12578	1.8
173.09569	2.7
173.13245	32.8
175.11208	2.5
175.14792	45.6
177.12744	2.4
177.16359	26.0
179.10748	1.9
179.14253	2.0
183.11696	3.4
185.13237	17.2
187.14799	76.2
189.12796	3.0
189.16330	23.2
191.10620	2.5
191.14227	1.9
191.17798	1.7
193.15953	3.3
197.13252	4.2
199.14810	12.1
200.20148	1.7
201.16360	33.7
203.17876	12.5
205.12262	3.8
205.15921	4.7
207.13817	5.1
211.14880	3.9
213.16371	19.3
214.17128	4.0
215.14310	3.0
215.17888	18.6
219.13759	5.2
219.17439	2.4
221.15331	4.4
225.16396	1.9
227.14174	2.2
227.17905	4.5
229.15755	3.3
229.19464	4.0
233.15349	10.7
239.17955	3.9
241.19522	7.0
243.21164	3.3
245.15494	2.0
247.16922	5.5
253.19531	5.5
255.21109	6.2
259.16953	4.0
267.21112	3.8
271.16855	2.3
281.22647	4.3
309.25726	3.9
312.07306	1.6
320.77090	2.0
327.23016	3.0
375.30624	3.4
377.31927	2.0
393.31415	7.9
395.32986	4.7
397.31015	3.1
403.29791	3.3
421.30954	51.5
423.32565	5.5
439.32053	49.8
440.32678	3.1
449.30710	5.4
467.31628	7.7
485.32587	100.0
486.32904	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	485.3254
Annotation	Poricoic acid B
Peak:m/z	Relative Intensity
53.03925	2.9
55.05508	12.9
57.07055	2.8
67.05492	17.5
69.03413	4.4
69.07056	19.0
69.68810	10.1
69.69224	6.7
71.04972	3.0
71.93272	2.1
79.05473	19.0
81.07043	46.9
83.08611	9.8
91.05465	28.1
93.07024	53.7
95.04933	4.5
95.08592	65.1
97.06503	4.3
97.10112	3.8
105.07013	67.6
107.08578	93.8
107.77773	1.9
109.06498	7.3
109.10143	37.5
111.08041	5.7
113.05972	13.0
117.07008	13.6
119.08566	87.1
121.06474	4.9
121.10124	76.9
123.08057	4.2
123.11684	15.8
126.04698	2.0
129.05441	5.1
129.07025	5.2
130.07724	2.5
131.08549	56.7
133.10110	89.9
133.11125	4.4
135.08055	6.1
135.11673	66.5
137.09552	4.5
137.13228	3.1
139.07515	6.6
142.07782	3.2
143.08565	14.6
145.08960	2.9
145.10095	58.9
147.08046	5.0
147.11662	46.0
149.09616	3.0
149.13213	20.2
153.09111	3.5
155.08527	5.3
156.09285	3.9
157.10104	14.9
158.10861	5.4
159.07990	3.3
159.11688	45.7
160.00542	2.0
161.09581	4.0
161.13229	27.1
163.07431	3.7
163.11208	4.3
163.14775	11.9
165.09108	5.2
165.12744	2.5
167.10609	2.3
169.10081	6.1
171.11632	21.8
172.12437	3.0
173.09589	3.9
173.13228	70.4
175.11128	6.2
175.14806	67.7
175.16362	3.6
177.09052	9.2
177.12762	5.6
177.16353	37.9
179.10672	3.1
179.14224	2.8
183.11678	8.4
185.13219	20.7
187.11148	3.5
187.14790	100.0
189.12704	4.9
189.16354	44.1
191.10628	9.3
191.14290	7.1
191.17921	6.1
193.12318	2.7
193.15842	8.8
195.11536	2.4
197.13269	6.4
199.14786	16.5
201.12781	2.9
201.16351	51.0
203.14249	5.7
203.17931	40.9
205.12224	13.6
205.15849	9.9
205.19482	3.6
207.13780	12.2
207.17477	2.5
211.14720	4.9
213.12889	3.4
213.16322	14.9
215.14294	7.9
215.17909	28.7
217.12215	3.3
217.15834	2.9
217.19482	6.3
219.13815	15.6
219.17494	3.2
221.15363	8.2
223.14943	2.8
225.14798	3.6
227.17787	5.1
229.16013	4.3
229.19501	14.4
231.13802	5.2
231.21088	3.4
233.15297	21.0
235.16910	6.5
241.19560	5.1
245.15283	4.3
247.14630	2.1
247.16798	11.2
249.18553	10.5
261.14914	2.3
261.18549	6.4
267.21066	3.3
275.19955	3.9
309.25751	4.5
321.25668	3.2
323.27328	4.6
361.28879	3.6
367.26422	2.9
373.28705	2.5
375.30206	3.0
377.32016	2.8
379.29898	6.1
385.28793	3.2
395.33035	22.0
396.00314	2.5
397.30072	2.6
397.34872	3.3
403.30054	10.5
407.29575	5.1
419.29153	4.0
421.30945	55.2
423.32510	14.1
425.30469	6.1
431.29343	3.5
439.32047	41.4
441.33426	3.1
449.30191	18.4
455.35144	5.7
467.31491	62.3
485.32285	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	485.3255
Annotation	Poricoic acid B
Peak:m/z	Relative Intensity
55.05499	9.2
67.05488	9.3
69.07053	16.9
70.13686	17.1
71.50510	2.9
79.05477	10.8
81.07043	23.4
83.08597	6.2
85.88814	3.0
91.05457	15.4
93.07021	27.3
95.04981	3.9
95.08584	40.1
99.63073	2.8
99.91236	2.7
105.07005	31.3
107.08571	54.7
109.10163	22.3
111.08045	4.8
117.07012	8.8
119.08570	60.8
121.06495	6.6
121.10127	40.8
123.11710	9.0
128.06207	3.2
129.06967	8.1
131.08548	18.3
133.06528	4.6
133.10114	37.0
135.08058	12.5
135.11668	27.5
137.09596	5.2
141.07008	3.6
141.37550	3.0
142.07732	3.5
143.08534	12.1
145.10106	31.4
146.61049	3.1
147.08037	13.7
147.11661	40.1
149.09558	5.5
149.13228	30.2
155.08508	5.6
156.09323	5.5
157.10114	23.2
159.08081	3.4
159.11691	25.2
161.09547	5.3
161.13216	27.4
163.11171	24.2
163.14798	43.6
165.09070	4.5
169.10165	11.0
171.11670	33.5
173.13234	41.8
175.11165	10.1
175.14809	25.9
177.12720	6.6
179.10649	7.6
183.10222	3.3
183.11690	12.6
185.13229	22.4
187.11172	3.6
187.14766	27.9
189.12712	17.8
189.16328	46.5
191.10567	4.6
191.14304	7.4
195.10016	3.4
195.11649	6.3
197.13275	10.4
198.13966	3.5
199.11252	4.4
199.14771	23.1
201.12756	5.7
201.16394	15.7
203.14227	6.1
203.17955	8.1
205.12193	3.1
207.11841	3.7
207.13805	4.9
209.11673	6.9
211.14735	13.6
213.16344	36.9
215.14331	3.7
215.17982	11.6
217.15857	4.8
219.13795	9.8
221.13246	3.7
223.13170	19.5
225.16299	16.1
227.17953	16.9
229.12379	3.6
229.19453	7.3
231.17371	3.5
233.15231	18.1
235.16985	6.2
237.16597	6.1
239.17944	12.3
241.15736	5.6
241.19550	11.2
243.13867	6.7
243.17506	3.7
243.21007	6.5
245.15372	6.2
249.14847	13.4
251.16429	9.4
253.15822	3.7
253.19482	22.0
255.21107	13.7
257.15274	3.6
259.16931	21.4
261.18466	5.0
265.19644	5.5
267.20959	3.8
271.17007	4.3
273.18414	18.0
279.21057	3.2
285.18509	4.7
287.20111	4.2
291.19482	7.8
303.15906	3.7
305.22446	3.2
325.21631	3.5
361.28900	32.1
371.27142	5.2
379.29947	15.9
389.28305	30.1
407.29416	66.9
417.27551	8.4
421.30954	78.6
422.31155	4.0
425.30563	22.6
435.28909	34.7
439.31979	100.0
440.32288	6.5
449.30640	7.3
453.29950	11.5
467.31512	57.2
485.32516	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	485.3116
Annotation	Mucronine J
Peak:m/z	Relative Intensity
55.05489	0.3
56.03582	0.1
56.05011	0.5
57.05798	0.6
58.06591	5.7
60.08158	0.2
61.02906	0.2
67.05492	0.2
69.03404	0.3
69.07050	0.3
70.06568	0.4
71.04246	0.1
71.04610	0.4
71.04993	0.3
71.07349	0.7
72.08143	11.4
73.48231	0.1
79.05476	0.4
81.03418	0.3
81.07046	0.7
83.04986	0.1
85.02883	0.3
86.09706	0.3
91.05460	0.4
93.07015	0.4
95.04928	0.1
95.08580	0.5
97.02886	0.2
97.06522	0.3
99.04417	0.2
100.11250	0.3
104.10729	0.3
105.06999	0.7
107.04948	0.2
107.08594	0.7
109.06530	0.2
109.10151	0.5
114.12789	100.0
115.13128	0.6
117.07013	0.2
119.08566	0.6
121.06432	0.2
121.10160	0.6
127.03925	0.1
131.08545	0.3
133.10118	0.6
135.11688	0.4
137.06004	0.2
145.02757	0.2
145.10114	0.4
147.04359	0.4
147.11679	0.4
149.13298	0.1
157.10107	0.2
159.11678	0.3
161.13210	0.2
173.13249	0.2
175.14851	0.3
177.05470	0.2
177.16472	0.2
184.07396	0.4
187.14845	0.3
189.16357	0.2
201.16373	0.3
203.18077	0.1
215.07063	0.2
233.15398	0.2
309.73550	0.1
351.26782	0.1
373.08826	0.1
421.30618	0.2
439.31921	0.2
446.11905	0.2
467.31738	0.4
485.31421	6.8
486.31644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
55.05498	8.7
57.07061	2.7
67.05486	9.5
69.07053	12.2
69.76252	21.4
71.04963	3.4
79.05460	9.9
81.07038	22.0
83.08595	6.9
91.05470	13.6
93.07036	23.8
95.04956	5.3
95.08594	28.0
105.07014	34.7
107.08579	35.9
109.10145	17.7
114.12809	2.9
117.07003	7.8
119.08562	52.2
121.06477	4.8
121.10122	42.6
123.08013	6.2
123.11688	7.9
129.06923	4.1
131.08546	31.7
133.10100	55.3
135.07974	4.2
135.11670	42.1
136.95761	3.0
137.09647	3.3
143.08528	9.7
145.10103	66.9
147.07977	5.5
147.11693	28.3
149.09555	3.6
149.13234	9.4
157.10100	8.8
158.10945	3.8
159.11673	37.0
161.09572	4.8
161.13248	15.9
163.11151	4.9
163.14799	11.2
169.10051	6.3
171.11688	11.3
172.12471	3.5
173.09770	2.8
173.11789	4.5
173.13210	37.7
175.11185	3.3
175.14799	39.7
177.09108	3.7
177.16376	8.9
183.11711	6.6
185.13216	18.6
187.14796	100.0
189.16325	22.1
191.14220	15.5
193.15836	4.2
195.11615	4.5
197.13211	5.3
199.14803	11.0
201.12639	5.3
201.16354	90.3
203.17880	21.4
205.15852	3.6
211.14819	4.7
213.16336	9.9
215.14078	3.6
215.17833	5.3
219.13789	33.5
221.15393	8.9
229.15875	6.6
231.17477	3.7
233.15335	10.4
237.14731	32.0
241.19583	3.3
247.16814	6.4
249.11060	3.1
253.19582	4.5
269.22607	3.0
375.30374	9.9
393.31424	8.9
403.29852	18.7
409.01572	2.9
421.31046	43.5
425.30707	3.2
431.29272	3.3
439.32062	94.7
449.30228	10.1
467.31653	16.3
485.32718	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	485.312
Annotation	Mucronine J
Peak:m/z	Relative Intensity
50.55255	0.1
51.05608	0.1
53.78537	0.1
55.84845	0.1
56.05012	0.4
57.05809	0.7
58.06591	5.4
58.38830	0.1
62.48932	0.1
70.06565	0.3
71.07343	0.6
71.24374	0.4
72.08144	10.2
92.30270	0.1
100.11266	0.8
114.12788	100.0
115.13136	0.7
161.88156	0.1
163.49525	0.1
187.76883	0.2
394.63730	0.1
402.34549	0.1
485.31180	8.2
486.31158	0.3
511.52881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39677	0.1
58.06593	3.4
67.05488	0.1
69.07060	3.0
70.06573	1.2
71.07362	0.2
71.38881	0.2
72.08138	0.7
81.03398	0.1
81.07040	0.1
84.08132	1.4
85.02925	0.2
85.08914	3.7
86.09218	0.2
86.09698	1.1
91.05486	0.1
93.07005	0.1
99.10430	0.1
99.61737	0.1
105.07040	0.2
108.40442	0.1
114.12791	100.0
115.13120	0.8
117.96622	0.1
119.08530	0.1
121.10153	0.2
123.07895	0.1
130.08615	0.3
137.05899	0.1
143.08659	0.1
147.04422	0.2
170.06013	0.3
175.07430	0.1
177.05481	0.1
267.68607	0.1
270.07666	0.5
284.09256	0.3
308.43521	0.1
312.08701	0.1
326.10269	0.4
332.11371	0.3
344.11127	0.3
457.19852	0.1
485.31265	5.9
486.31619	0.2
512.88269	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	485.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21630	0.6
54.17611	0.6
55.05507	2.7
57.03429	4.5
57.07069	23.1
60.74039	0.6
67.05500	5.9
69.07058	5.1
69.27563	0.5
71.08250	0.8
71.08620	15.9
71.79705	0.9
79.05479	1.1
81.07043	7.8
83.08604	6.2
85.10168	9.9
87.04425	1.1
89.06041	1.1
91.05457	1.6
93.07043	1.2
95.08591	10.1
97.10165	3.1
98.98450	19.7
99.11718	0.6
101.46529	0.6
105.07007	1.8
107.08534	0.9
108.94229	0.6
109.10149	5.2
114.12761	1.5
116.99486	0.6
119.08562	1.4
121.10078	0.9
123.08131	0.6
123.11688	1.7
133.10089	2.4
137.13252	0.8
145.10133	0.6
155.01030	11.1
161.83487	0.6
173.02122	1.6
187.14795	0.9
201.16443	0.8
214.51936	0.7
221.22546	0.7
229.04724	1.1
239.23724	1.8
247.05756	1.4
313.27322	100.0
314.27682	2.8
393.24161	3.1
449.26523	8.7
485.19534	1.3
485.32520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88490	0.3
55.05504	1.8
57.07068	14.3
58.06579	1.4
62.92766	0.3
67.05498	1.7
69.07059	2.2
70.06207	0.6
70.06583	12.0
70.67003	0.3
70.90939	0.3
70.91300	0.9
71.08241	0.5
71.08624	8.3
72.59216	0.3
73.02902	1.0
79.31587	0.3
81.07042	2.3
83.08601	1.8
85.10180	2.8
88.07620	18.6
93.07017	0.5
95.08582	2.6
97.10157	1.2
98.20783	0.3
102.09168	11.9
106.08633	0.9
109.10105	1.1
109.28426	0.3
111.08118	0.4
123.11719	0.6
124.81749	0.3
156.17470	0.4
159.40396	0.3
177.07320	0.3
186.45108	0.3
200.20074	25.0
218.21161	2.6
228.23196	23.7
246.24294	2.5
255.23207	1.4
256.26361	1.1
283.26291	22.9
311.29404	24.1
312.29526	0.4
389.86456	0.3
433.13168	0.3
484.47195	100.0
485.47595	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	484.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
53.77541	0.8
55.05504	7.1
57.07072	7.4
58.06592	5.2
60.04516	15.0
67.05495	11.9
69.07059	28.7
69.67928	7.8
70.06587	6.0
71.04971	1.3
71.08609	2.6
72.08134	3.4
79.05482	11.3
81.07043	31.6
83.08610	4.1
84.08129	18.3
85.10130	1.2
88.07600	5.4
89.06002	1.1
91.05463	9.8
93.07031	26.7
93.51984	0.9
95.04949	2.1
95.08590	20.3
97.06519	1.0
97.10147	1.3
102.09167	3.8
105.07018	14.7
107.08573	23.7
109.10143	13.8
117.06983	2.1
119.08547	9.3
121.10123	9.7
123.11683	6.3
125.09629	1.0
126.09148	2.6
127.11115	0.8
131.08566	3.1
133.10124	9.3
135.11667	16.5
137.13254	1.2
143.08557	1.0
145.10101	3.2
147.11664	6.3
149.13260	3.0
152.14330	2.2
153.12726	3.5
159.11714	2.9
160.41089	0.8
161.13264	5.0
163.14818	1.5
173.13281	1.5
175.14824	2.5
177.16296	1.2
187.14774	1.8
189.16364	2.9
191.02905	1.0
200.20065	5.6
201.16341	1.7
203.17952	1.5
217.19592	1.2
228.23183	9.0
283.26352	10.2
311.29337	5.8
382.24274	1.1
466.40393	23.1
484.41306	100.0
484.47394	23.3
485.41602	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	484.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.24388	0.4
55.01875	0.5
55.05510	2.4
57.03431	0.4
61.02927	0.4
65.03942	0.7
66.61081	0.4
67.05471	0.6
69.03406	1.8
69.07041	0.7
70.06582	8.3
71.04952	0.7
71.78918	0.4
72.08135	0.7
73.02893	0.6
79.05439	0.4
81.03401	4.1
81.05781	0.6
81.07036	0.8
82.06584	0.8
83.07352	1.0
84.08113	1.4
85.02892	4.4
86.09701	0.5
87.04457	0.6
91.05469	13.1
93.07057	0.5
96.04436	0.4
96.08120	11.1
97.02866	1.3
98.09680	15.0
99.04449	0.8
107.04955	0.8
107.08559	0.8
109.02865	2.6
109.10094	0.6
114.09126	3.4
116.10713	97.4
117.11067	1.1
119.04926	26.4
125.09606	2.7
127.03890	1.3
128.07088	0.4
132.02100	0.5
133.02864	0.5
137.05969	1.1
143.10648	1.4
145.02806	1.3
145.04890	0.6
147.04387	21.3
149.02301	0.6
157.03946	2.1
160.09673	0.8
163.03900	1.5
175.03882	44.9
176.04358	0.9
177.05499	1.4
179.07057	1.4
192.04179	0.7
207.06496	58.0
208.06882	1.6
221.01643	0.5
278.15970	1.3
287.14441	0.6
305.15985	0.8
322.16357	0.7
351.10837	2.1
369.11896	1.1
484.21738	100.0
485.15491	0.8
485.22073	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	484.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.9
57.07059	4.0
62.48601	1.6
67.05507	8.7
69.07050	7.2
70.06583	3.6
71.04998	3.0
71.79470	3.4
79.05483	13.4
81.03419	2.2
81.07039	13.2
83.08598	1.9
85.02856	1.9
91.05453	15.1
92.85059	1.6
93.07030	22.5
95.04955	4.4
95.08585	28.2
99.08065	4.1
103.05452	2.7
105.06313	3.6
105.07012	62.4
107.08580	36.1
109.06496	2.6
109.10118	4.9
113.09631	2.5
117.06998	3.9
118.06495	8.3
119.04929	2.4
119.08562	57.3
121.10120	17.9
123.08023	2.8
123.11662	4.5
130.08691	2.0
131.08554	2.8
133.10106	74.5
134.10445	2.1
135.11668	34.2
137.05943	1.9
137.09592	5.1
144.08046	4.8
145.10101	4.0
146.05991	22.4
147.04372	4.0
147.11679	4.2
149.13225	11.8
163.39183	1.7
167.07283	5.9
168.08060	25.7
170.09619	2.2
175.03899	3.3
175.14795	54.8
177.05505	2.7
180.08086	11.0
181.08861	5.4
182.09673	9.3
183.10342	2.5
184.07362	3.0
184.11212	3.4
187.06232	2.1
188.07036	49.5
193.15837	3.3
194.09634	39.6
195.10265	2.9
196.11143	3.7
207.06609	12.9
212.10684	4.0
218.63899	1.8
222.09119	27.9
225.07739	2.2
234.12592	1.7
240.10150	40.3
258.11377	4.6
322.20026	2.6
326.10770	2.0
344.11240	100.0
345.11502	3.8
362.21149	14.9
466.16425	2.1
466.22235	20.9
484.22827	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	484.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	0.3
69.03419	0.3
71.19390	0.7
81.03419	0.4
84.08104	0.3
85.10310	0.3
89.03903	6.3
89.04428	0.3
90.37074	0.2
91.05476	0.6
92.78273	0.2
94.74993	0.3
95.04995	0.2
103.05463	0.4
110.06024	0.6
117.03372	19.7
118.36148	0.3
119.04938	0.4
128.07034	0.5
134.03650	1.3
135.04428	1.5
145.02835	49.3
146.03227	0.7
146.08112	7.2
149.05969	6.6
163.03877	0.6
177.05452	100.0
178.05766	1.3
186.05495	1.0
207.06491	0.3
321.09824	0.5
321.62268	0.3
339.10724	1.1
340.94821	0.3
484.17926	0.7
484.28754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12132	0.3
54.33040	0.3
56.81185	0.4
57.03431	0.4
68.05019	0.4
69.03403	1.1
69.84711	1.6
69.85140	0.9
70.06577	3.7
73.02926	0.4
79.05477	0.9
81.03404	3.2
81.05786	0.8
83.04965	0.8
85.02882	1.9
89.03900	3.5
91.05482	0.4
94.06505	0.4
94.28571	0.4
95.04951	0.4
96.08109	2.3
97.02900	0.8
99.04424	0.8
107.04932	1.2
109.02865	1.5
114.09148	59.4
115.09487	0.8
117.03350	4.1
127.03880	0.8
130.87500	0.4
135.04388	10.2
140.07025	1.1
142.08580	0.8
145.02823	8.8
145.03929	0.7
147.04352	0.5
160.09662	100.0
161.10023	1.0
163.03876	66.6
164.04208	0.9
167.07014	0.4
169.13304	0.5
177.05388	0.9
178.04958	1.7
181.04916	0.9
197.33585	0.4
203.88838	0.4
206.04480	1.3
307.08069	2.3
322.14902	17.9
323.15186	0.5
325.09247	1.3
350.08719	0.4
368.09210	0.5
484.17981	23.8
485.18506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05498	7.5
57.07069	6.4
65.03938	2.2
67.05494	27.4
67.53059	1.3
69.03432	1.6
69.07057	14.3
71.04969	1.9
71.08610	1.2
71.79906	1.6
73.06547	1.7
76.77615	1.2
79.05482	11.0
81.07043	43.2
83.08616	9.3
85.06527	2.3
85.10190	1.2
88.53350	1.1
89.06024	4.3
91.05465	12.8
93.07031	23.0
95.04955	13.4
95.08592	41.5
97.02903	1.6
97.06533	4.5
97.10159	3.0
102.25134	1.1
105.07022	36.7
107.08578	37.9
109.06506	1.8
109.10140	32.3
109.10861	2.2
113.05991	15.9
113.06711	1.6
114.77357	1.1
115.07527	3.6
117.07009	5.4
119.08566	43.3
121.10126	61.6
123.08085	2.6
123.11690	28.2
125.09583	3.0
129.06946	1.7
131.08545	24.6
133.06531	1.7
133.08586	2.3
133.10109	32.7
135.08026	1.7
135.11670	26.0
135.12624	1.9
137.09589	2.6
137.13229	17.8
139.07503	2.0
139.11156	3.2
143.08508	6.5
144.09315	2.8
145.10110	31.9
147.08023	5.5
147.11665	22.0
149.09613	1.7
149.13214	5.8
151.07530	1.9
151.14799	2.7
153.09111	6.2
157.10130	6.7
158.10974	1.3
159.11688	17.1
161.09573	2.1
161.13252	11.8
163.14789	8.7
165.09129	4.7
167.10692	2.5
169.10138	2.3
170.11047	1.4
171.11678	7.9
172.12517	1.4
173.13242	18.3
175.14798	100.0
177.09100	1.4
177.16327	7.4
179.10670	3.7
183.11656	2.1
185.13210	8.9
187.14798	75.3
189.16377	28.3
191.10690	1.3
191.14290	2.1
191.17908	1.5
193.12178	2.1
195.11717	1.6
197.13261	2.5
199.14848	8.0
201.16357	35.1
203.14297	2.4
203.17917	12.1
205.12064	1.6
205.15840	1.8
207.13795	3.7
207.17400	1.4
211.14740	2.2
213.16364	11.6
215.14322	3.5
215.17912	24.2
217.15857	3.4
217.19321	1.6
219.13893	2.1
221.15337	2.6
225.16370	2.0
227.17966	2.2
229.16068	1.5
229.19513	7.8
231.17401	3.3
233.15341	1.7
235.16924	11.2
239.18010	1.9
241.19499	4.1
243.21126	4.7
247.16983	6.2
249.18565	3.6
252.24258	1.3
253.19537	1.9
255.21101	4.0
257.22491	1.4
259.17154	2.3
261.18567	3.4
267.21109	1.6
275.20068	3.0
283.17560	1.8
284.17795	1.9
309.25546	6.3
369.27902	2.3
377.32001	5.2
387.30341	3.3
405.31558	14.9
423.32538	42.3
433.30908	3.5
437.34131	6.3
451.32047	3.4
465.33383	9.0
483.39038	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	483.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05499	6.5
57.03425	1.3
57.07054	2.5
65.03929	1.0
67.05487	10.5
69.03416	1.4
69.07053	15.0
71.04967	1.2
71.08598	1.9
73.02908	1.2
77.13004	0.9
79.05476	9.1
81.07042	31.2
81.07533	1.5
83.04952	2.8
83.08603	6.7
85.10179	0.9
89.06046	2.1
91.05463	12.2
91.82742	0.8
93.07027	22.1
95.04958	3.8
95.08590	38.3
97.06518	2.6
97.10149	2.5
99.08068	3.2
105.07012	81.3
107.08573	37.2
107.09304	1.5
109.06477	2.8
109.10140	25.0
111.08054	1.6
113.06013	1.3
115.05394	1.1
117.06995	6.2
119.08559	68.5
121.06495	2.5
121.10126	43.4
123.08054	4.3
123.11683	12.3
125.09612	1.0
129.06992	3.0
130.07800	1.7
131.08545	28.8
133.06535	1.4
133.08548	2.1
133.10106	52.7
135.08023	3.8
135.08939	0.8
135.11662	16.7
137.09602	3.9
137.13287	4.3
139.11180	1.0
141.06978	1.0
142.07750	2.0
143.08531	10.9
144.09306	3.2
145.06468	1.2
145.10094	38.5
147.08047	2.7
147.11658	27.2
149.09624	3.8
149.13217	11.3
155.08514	3.2
156.09331	2.6
157.10110	15.7
158.10846	2.4
159.08035	2.2
159.11671	29.2
159.12943	1.9
161.09573	7.3
161.13216	23.0
163.07498	1.8
163.11154	3.9
163.14815	13.1
167.10696	1.5
169.10106	5.3
170.10886	3.4
171.07939	0.8
171.11671	13.5
172.12402	1.9
173.09607	2.9
173.13237	38.4
175.11331	6.3
175.14790	100.0
176.15147	1.0
177.09143	2.7
177.12773	3.3
177.16345	23.5
181.10146	1.3
182.10919	1.0
183.11658	5.6
184.12494	1.1
185.09599	1.4
185.13220	12.7
186.14093	1.0
187.11200	2.8
187.14783	52.2
189.12767	4.4
189.16353	47.7
191.10629	1.3
191.14284	13.5
191.17917	2.8
193.15810	6.4
195.11713	3.3
196.12465	1.3
197.13194	4.9
198.14059	0.9
199.14787	8.3
201.12692	4.4
201.16344	30.3
203.14314	3.9
203.17920	19.4
205.15845	4.0
207.11617	1.4
207.17410	1.0
209.13293	3.2
211.10985	1.5
211.14784	8.9
212.15468	1.4
213.12889	4.4
213.16307	19.7
213.18202	1.4
215.14354	4.6
215.17879	15.3
217.15855	6.1
217.19342	1.0
219.17511	1.5
221.13303	1.9
221.15340	5.5
223.14828	3.3
225.16393	2.4
227.14308	3.5
227.17920	4.0
229.15843	16.9
229.19489	2.7
231.17386	39.4
233.15353	7.7
233.19043	2.6
235.14761	1.5
235.16936	8.6
237.16370	2.2
239.17989	2.7
241.19562	2.0
243.17390	2.0
245.15359	3.8
245.19055	1.1
247.16902	5.4
249.16339	1.4
249.18544	4.7
251.18040	1.4
253.19513	2.0
255.20859	1.9
257.18970	1.5
259.16861	2.2
261.16171	1.4
261.18460	4.7
263.17960	1.3
265.19559	2.1
267.17401	1.4
269.19196	1.4
271.17099	0.8
273.18408	3.0
275.16351	2.1
275.20157	1.5
279.21088	1.1
281.18970	1.2
281.22632	1.7
283.17493	1.5
283.20535	2.4
289.18045	3.0
291.21124	2.5
297.22293	1.3
303.21045	1.6
307.24182	2.5
309.22205	1.5
313.21567	2.1
315.23035	7.1
317.22589	2.3
321.22018	1.1
331.24094	4.7
333.25726	5.6
335.23611	2.0
345.25723	1.4
347.27249	1.2
349.25287	1.7
363.26791	2.1
365.24625	1.5
377.31891	7.2
381.27832	3.5
387.30386	22.9
387.35370	1.3
393.27859	1.3
395.33200	1.7
405.31464	81.0
406.31769	2.0
415.29916	1.3
423.32516	92.3
424.32892	2.1
433.31064	8.2
437.34198	8.0
447.32553	22.8
451.32013	31.0
465.33594	73.2
466.33887	1.4
469.33414	1.2
483.34619	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	483.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40892	3.9
55.05502	20.7
57.07058	5.7
67.05489	57.7
69.03412	5.2
69.07062	26.0
71.04973	5.5
71.78675	4.5
71.79046	5.8
79.05475	21.7
81.07040	59.2
83.05009	4.3
83.08592	14.8
83.46098	3.9
84.01846	3.9
91.05457	37.9
93.07023	69.6
95.04946	34.6
95.08001	5.6
95.08588	94.9
97.02824	3.8
97.06485	9.3
97.10145	7.4
101.10579	4.0
103.26632	4.1
105.06319	5.6
105.07006	70.2
107.04900	6.5
107.08572	83.8
108.18578	5.1
109.06470	9.7
109.10136	89.8
111.08065	6.2
113.05981	25.5
117.07018	29.5
119.07716	6.7
119.08562	100.0
121.06516	4.7
121.10121	81.3
123.08045	6.5
123.11674	41.0
125.09554	9.9
129.06985	38.6
131.08549	50.8
133.06532	4.2
133.10101	62.5
135.08025	8.8
135.11656	38.5
137.09624	7.6
137.13225	7.0
139.07498	6.0
139.11134	6.7
141.06917	6.0
142.07721	7.5
143.08533	43.7
145.10072	63.5
145.47623	3.9
147.08014	11.1
147.11664	42.6
149.09634	5.7
149.13220	21.9
153.09093	9.5
155.08522	9.7
156.09302	8.5
157.10083	43.5
158.10930	5.0
159.08018	6.4
159.11659	49.0
161.09573	10.7
161.13235	34.2
163.07483	6.6
163.14792	26.6
165.09070	6.7
169.10083	20.9
171.11636	41.1
173.09499	5.7
173.13226	48.1
175.11134	6.7
175.14790	55.6
177.09001	3.9
177.12733	5.6
177.16331	8.8
181.08614	5.0
181.10121	14.6
183.11635	22.6
184.12340	4.4
185.13217	33.9
187.11160	9.1
187.14740	41.6
189.12741	6.9
189.16280	29.1
191.14268	10.1
193.10170	5.2
193.12146	5.0
193.15733	7.7
195.11694	8.9
196.12294	6.2
197.13251	25.1
199.14767	64.1
201.12685	5.2
201.16293	35.8
203.14232	10.2
207.11629	9.7
207.13660	8.8
209.13205	12.9
209.15201	5.6
211.14760	13.2
213.16354	23.8
215.14308	11.8
215.17897	38.0
217.15869	19.7
219.13760	10.1
221.13383	7.9
221.15321	13.5
223.14752	8.1
225.16287	21.7
227.14133	5.4
227.17838	18.8
229.15869	4.7
229.19470	6.5
231.13788	5.0
231.17513	5.0
233.15262	5.7
235.14925	5.5
235.17191	5.1
237.16476	10.0
239.17914	11.1
241.19478	11.8
243.13806	13.0
245.15291	31.8
253.19357	10.1
255.21152	4.1
259.16830	6.3
261.18390	9.6
263.17902	6.7
265.19528	4.6
267.20950	9.2
269.18826	5.1
271.16666	6.4
273.18472	9.9
277.19049	5.1
285.18265	8.9
311.20151	5.9
313.21582	7.8
363.30222	6.3
373.28848	13.0
375.30402	4.8
391.29889	20.7
401.28165	15.6
405.27368	7.0
409.31000	44.3
419.29437	72.9
420.29593	5.8
421.30951	6.4
428.50311	5.1
437.30484	54.1
438.30579	7.1
447.28638	18.5
465.30051	37.4
483.30707	42.4
509.85812	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	483.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.5
57.03429	6.7
57.07071	8.2
60.38227	0.7
67.05479	2.0
69.07057	23.1
69.60430	7.0
71.08630	5.3
79.05476	1.5
80.57298	0.7
81.07047	4.6
83.08604	18.2
83.93601	0.7
85.10172	2.3
93.07023	3.0
95.08590	3.8
97.06511	1.5
97.10158	12.0
98.98457	8.2
99.23586	0.7
101.75793	0.7
107.08559	2.1
109.10110	1.0
111.08036	0.8
111.11721	3.4
121.10112	2.6
125.13263	0.9
126.01179	0.8
135.11671	1.7
149.13232	1.1
155.01042	5.0
181.20134	0.7
197.24855	0.8
229.04616	0.7
244.48167	0.7
294.34103	0.7
311.25760	100.0
312.26144	1.8
432.57687	0.9
447.24844	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	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74948	0.7
53.03928	0.9
55.01870	1.3
55.05506	18.1
57.03429	5.3
57.07069	9.7
67.05502	5.7
69.07059	21.6
69.44451	6.8
69.44865	1.1
71.08633	6.2
73.02890	0.9
75.20077	0.6
79.05466	1.9
81.07053	5.7
83.08611	18.8
85.10175	1.6
85.24105	0.6
91.05450	1.8
93.07027	3.5
95.08598	3.5
97.06529	1.3
97.10162	13.7
98.20700	1.5
98.98460	34.1
105.06987	1.0
107.08577	3.6
109.10131	2.6
111.11691	3.0
113.55094	0.6
116.99475	1.0
119.08555	1.7
121.10163	3.3
123.11657	0.8
133.10120	1.6
135.08006	0.7
135.11674	3.6
137.00034	1.1
137.13194	1.1
139.71489	0.7
145.10120	1.5
149.13274	1.6
149.14526	0.6
155.01036	23.0
157.10124	1.1
159.11662	0.6
169.10117	1.0
173.02078	1.9
173.13297	1.1
203.45258	0.7
211.03656	0.8
219.21045	1.2
229.04677	2.7
237.22110	4.5
247.05833	1.7
311.25769	100.0
312.26138	2.0
387.84296	0.7
391.22403	1.0
423.31949	3.2
447.25024	16.5
483.33719	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.02967	0.5
55.05498	1.1
56.05019	0.4
60.05653	0.6
65.03938	0.7
69.03416	1.4
69.07060	0.7
70.06571	2.0
71.78619	0.5
71.79079	0.8
72.07751	1.0
72.08141	15.1
79.05483	1.1
80.01400	0.5
81.03401	1.1
81.07050	0.9
82.02941	0.7
83.04924	0.5
84.08130	0.9
85.02898	2.5
91.05462	10.0
93.07047	0.6
93.59159	0.5
95.04977	0.5
95.08611	0.9
97.02872	1.3
97.07650	6.0
98.02403	0.8
98.06014	0.6
99.04438	0.6
103.90531	0.4
105.07059	0.6
107.08571	0.8
109.02880	1.5
109.10123	1.1
110.02386	33.0
114.10276	42.8
115.08675	2.0
115.78535	0.5
117.03365	0.5
119.04926	20.2
123.11646	1.0
127.03921	1.2
130.08563	0.7
131.12907	1.5
134.06050	0.8
136.07541	0.5
137.05957	1.6
145.02821	1.3
145.04974	1.0
145.06480	1.1
146.05992	0.9
147.04388	42.7
149.05989	0.8
151.08702	0.6
152.07042	21.0
153.05377	0.5
157.03931	1.2
157.10822	1.1
163.03941	1.1
169.09726	2.0
173.05948	0.7
175.03886	19.7
177.05481	1.4
179.07005	1.0
181.06453	0.7
194.09248	2.2
207.06493	26.0
211.11882	11.2
211.13954	0.6
213.09067	1.9
217.13377	1.8
218.11804	1.4
231.06728	0.6
241.08589	2.2
259.15469	1.4
260.13849	2.8
263.08215	1.6
273.11179	2.9
277.16553	8.6
278.13840	0.9
296.11996	0.5
303.04852	0.7
319.17566	2.3
320.15985	0.8
330.13150	0.7
337.18542	5.1
377.01831	0.7
424.17770	1.0
449.03168	0.5
466.19476	0.6
483.22366	100.0
484.22803	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	483.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84527	0.5
53.03957	0.5
55.01869	1.2
57.03423	0.6
68.05026	1.5
69.03408	2.5
70.06589	2.1
71.04996	0.5
71.70118	0.7
72.08144	1.0
72.36693	0.5
73.02921	0.6
73.49414	0.5
74.06084	0.7
79.05478	1.6
81.03414	5.2
81.04528	8.9
81.07076	0.6
81.99445	0.5
82.05305	4.4
83.06091	1.8
84.04485	0.9
84.08110	1.1
85.02877	3.8
86.03239	0.5
86.09692	0.7
87.04472	0.5
89.03898	3.2
91.05456	1.0
95.05010	0.6
95.06073	17.8
96.08128	0.6
97.02868	1.9
99.04444	1.1
104.45188	0.5
105.07014	0.6
107.04939	4.2
109.02850	2.9
110.06025	0.5
111.05551	46.3
114.09155	1.6
114.10280	0.8
116.07060	0.5
117.03362	4.9
119.04938	1.5
120.08112	0.5
121.02869	2.1
122.05998	1.6
123.05535	35.5
124.07568	1.3
125.07108	1.3
127.03904	2.1
133.06458	1.8
134.06035	1.4
135.04395	14.5
136.07558	6.2
137.05992	1.5
139.03822	0.7
140.07089	0.9
141.06566	100.0
142.06877	1.0
142.08685	0.7
145.02806	10.9
145.05031	0.6
145.06456	1.2
147.04385	5.0
148.04730	0.5
150.05463	0.9
151.03888	0.7
151.07515	0.5
152.07030	6.2
153.05421	0.7
159.07628	57.0
160.07887	0.6
160.09627	1.2
161.05975	2.2
163.03882	73.2
164.04196	0.8
164.07039	8.8
168.06541	1.0
170.08072	1.0
173.05922	2.2
173.07227	0.8
177.05417	0.8
178.04951	2.7
181.04929	1.8
182.08173	0.9
185.06013	0.6
187.03885	1.3
189.05420	1.3
191.03323	0.8
201.05431	4.3
203.03323	1.7
206.04532	2.4
213.05437	1.0
215.03389	1.8
217.04987	0.6
219.02856	1.9
221.04391	0.6
229.04880	5.0
231.02863	3.8
241.05069	0.6
243.02936	2.9
243.06438	0.6
247.05875	0.6
249.03929	2.7
257.04471	5.3
257.12756	0.7
261.03848	0.9
267.11282	1.8
269.04398	1.2
271.06073	1.3
275.05368	0.6
275.13940	1.0
281.04453	0.6
285.03909	14.4
285.12213	2.2
297.03836	2.1
299.05283	1.1
303.13550	5.7
307.08075	2.1
309.03635	0.9
315.04944	3.0
321.13470	3.5
325.09229	3.6
327.04968	3.5
345.06052	2.9
347.08658	0.5
351.08463	3.5
363.07013	11.4
405.05420	0.5
405.09714	5.7
411.15665	0.7
417.09427	1.7
429.16406	1.4
447.10617	1.0
447.17365	1.0
465.15207	3.1
483.16132	13.4
484.17468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51080	0.5
53.03926	0.5
55.05497	3.2
57.03437	3.9
59.04966	0.8
61.02908	1.6
64.88864	0.5
67.05495	6.9
69.03418	0.9
69.07062	5.9
69.44390	4.0
69.44827	2.8
70.06576	1.6
71.04978	1.4
79.05493	4.2
81.03393	1.0
81.07043	29.3
83.04964	2.9
83.08608	3.8
85.02905	3.4
85.06528	3.2
86.94284	0.6
91.03945	1.7
91.05475	8.6
93.07031	3.6
94.06537	0.5
95.04944	1.6
95.08599	6.3
97.02858	2.6
97.06512	2.3
99.08102	1.2
105.07015	13.3
107.04965	0.7
107.08569	6.1
109.02872	1.3
109.06513	3.6
109.10129	1.4
111.04401	0.7
114.09121	1.3
119.08562	10.7
120.08093	0.6
121.06461	0.7
121.10128	8.3
123.08036	1.9
123.11689	12.0
127.03880	1.0
127.07549	0.9
129.06984	1.0
133.10124	1.4
137.05949	1.9
137.09625	0.8
137.13173	0.8
145.10071	1.1
147.11668	34.4
147.32524	0.6
151.07518	0.6
157.10107	1.9
165.12737	15.5
166.04762	0.6
175.11154	2.0
177.05411	1.1
183.13776	1.5
193.12184	1.7
211.13466	0.8
229.14359	5.4
234.92969	0.6
238.97601	0.6
267.15884	28.4
285.16928	100.0
286.17316	1.3
313.10666	0.5
447.22293	3.4
473.84671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.8
71.78468	0.3
82.44453	0.3
97.35332	0.4
98.96957	0.5
98.97567	8.1
104.05037	0.3
116.98604	9.0
132.96577	0.6
134.98682	0.6
134.99634	8.2
153.00656	1.2
174.97629	3.3
177.00916	0.4
190.95395	0.6
192.98688	4.2
198.97769	0.9
208.96635	1.0
214.95547	1.0
215.58508	0.3
216.98689	2.2
232.96649	10.1
233.96782	0.6
234.99759	6.7
235.99892	0.4
238.95697	0.8
240.98782	0.7
250.97710	14.3
251.97862	0.8
253.01028	0.5
256.96625	13.0
257.97006	0.7
258.01340	0.4
258.99805	7.9
259.99933	0.7
261.03055	0.9
264.99203	0.5
267.24176	0.3
274.97687	64.0
275.97888	2.9
276.97876	0.8
277.00830	11.4
278.01025	1.0
280.96463	2.3
282.99951	5.7
284.00134	0.7
284.99524	0.6
290.95474	0.5
292.98712	16.8
293.99033	0.9
297.99200	2.0
298.97699	49.8
299.97897	3.5
300.97873	0.7
301.00992	10.4
302.01099	1.2
303.01044	1.0
307.48679	0.4
307.97382	0.5
314.95895	0.7
316.00381	0.7
316.98770	100.0
317.98895	5.3
318.98886	1.1
319.02304	0.5
324.02661	0.5
330.21133	0.4
332.96628	1.2
334.99875	3.8
338.95688	0.6
340.00336	6.2
340.98962	1.6
356.96649	0.6
358.95853	0.2
358.99921	5.7
359.99805	0.6
374.97812	2.9
380.96854	0.9
382.01385	0.8
398.97891	2.8
399.97742	0.6
401.01187	1.7
402.00769	0.5
416.98883	10.9
417.98785	1.5
419.02518	0.4
422.97641	6.2
423.98105	0.5
425.01218	0.5
435.00449	0.4
440.00433	0.8
440.98868	55.0
441.98999	5.0
443.02542	2.9
444.02548	0.6
456.96890	0.6
458.99905	84.9
460.00095	8.0
461.00177	1.1
477.01074	1.4
482.01489	9.0
483.00394	5.4
484.00177	0.8
501.00214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01864	2.2
55.05503	2.4
57.03441	17.9
59.04988	4.4
61.02916	5.5
61.50664	1.7
67.05495	5.6
69.03428	53.9
69.07055	4.3
70.06583	7.4
70.28249	9.9
71.04981	2.1
71.31075	1.8
73.02924	3.3
75.04473	2.6
79.05483	5.2
81.03417	14.2
81.07047	7.7
83.04997	3.5
83.08616	3.1
84.08148	2.2
85.02899	59.1
85.03387	3.7
86.03235	2.0
86.09692	2.6
87.04463	40.5
91.05473	7.9
93.07038	45.7
95.04942	3.9
95.08594	16.7
97.02888	60.6
97.06515	5.2
99.04446	6.3
99.76061	2.1
100.37727	1.8
103.03938	2.2
105.07021	3.9
107.04955	8.5
107.08584	16.8
109.02885	7.5
109.06533	2.1
109.10154	70.9
112.36270	1.8
114.09155	7.8
115.03923	72.1
117.07042	2.1
119.04982	2.6
119.08577	3.6
120.08141	3.0
121.06487	3.2
121.10188	2.4
122.06015	3.6
125.13280	3.4
127.03914	16.4
130.08670	2.5
133.04962	73.6
133.10135	3.1
135.11685	87.2
136.07579	6.0
137.05978	17.0
138.06316	5.3
140.07047	4.3
145.02872	7.0
145.04933	15.9
147.04379	2.2
147.11662	2.8
150.07613	13.2
150.08662	2.0
153.01865	6.3
153.12737	100.0
154.02159	2.1
158.08055	2.0
158.37070	2.0
163.03903	7.1
163.06003	3.7
164.07066	9.9
167.07118	3.2
168.07545	1.9
169.04962	2.3
169.12209	3.8
177.05476	7.5
193.04912	2.1
193.12309	4.2
198.94632	1.8
241.06902	2.5
259.08145	4.4
267.15872	31.6
271.09512	2.8
277.09070	3.1
285.16949	18.5
294.90991	2.1
295.10068	11.4
297.16925	27.6
315.12302	2.4
315.18082	6.7
316.12595	3.0
319.04568	15.3
320.04822	36.2
321.05212	2.1
447.17987	2.3
482.21060	6.4
482.27936	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	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01872	1.1
55.05506	3.8
57.03417	2.8
59.04959	0.8
61.02898	2.0
67.05485	4.0
69.03403	3.7
69.07053	2.0
69.85309	4.8
70.06570	2.4
71.04970	2.4
73.02898	1.5
78.43353	0.5
79.05481	6.3
81.03404	20.0
81.05785	2.7
81.07043	8.2
82.06555	1.2
83.04971	5.7
83.08614	6.8
85.02892	9.7
87.04445	1.2
91.03919	1.2
91.05464	6.6
93.07036	4.6
94.06529	1.9
95.04957	7.6
95.08575	2.5
96.08112	5.2
97.02881	3.5
97.06501	1.9
99.04440	1.2
105.07005	3.9
107.04925	1.5
107.08576	2.6
109.02883	1.2
109.06487	1.3
111.04422	1.2
111.08054	3.5
114.09152	100.0
115.03912	2.1
115.09491	1.0
119.08565	3.7
121.06509	0.8
121.10143	2.4
123.08063	1.1
127.03896	1.5
129.06973	2.7
130.08629	4.9
131.08566	3.0
133.04941	1.4
133.06445	1.2
133.10126	3.9
134.65392	0.7
135.11670	1.5
136.07536	4.2
137.05978	6.1
137.07921	0.8
138.05461	5.3
138.06401	1.0
138.09154	1.7
142.07733	1.2
145.04901	1.0
147.11678	4.9
149.09581	1.0
152.07076	1.1
153.12733	9.3
157.10100	4.2
163.04030	0.8
164.07040	4.8
165.07341	1.2
165.12701	0.9
174.11237	3.7
175.11118	4.8
177.05438	1.0
190.78529	0.7
191.03377	1.1
193.12212	21.1
201.12466	0.8
211.13274	16.9
211.15138	1.2
229.14304	1.2
245.14961	0.7
267.15884	9.1
284.12851	1.1
285.16928	47.0
286.17258	1.0
288.14429	0.8
318.15399	7.2
327.13708	0.7
333.13058	0.7
341.14816	0.8
414.11523	0.8
482.23798	37.9
483.23993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
53.23315	0.7
55.01851	1.1
55.05512	5.3
57.03430	5.2
61.02903	3.1
65.03922	1.0
67.05504	8.6
69.03426	4.3
69.07035	3.5
70.06563	3.2
71.04978	2.7
72.08131	1.8
73.02901	1.0
79.05475	8.0
80.04989	0.8
81.03409	28.7
81.07050	9.1
83.04964	6.7
83.08606	10.8
84.08128	1.3
85.02897	13.0
85.06512	1.2
86.09689	1.4
91.05460	10.0
93.07037	7.4
95.04955	10.9
95.08606	4.4
96.08112	0.8
97.02892	4.3
97.06513	1.9
97.10140	2.0
98.20949	3.6
99.08057	0.9
105.07012	7.3
107.04926	3.3
107.08579	4.1
109.02882	1.8
109.06485	2.0
109.10119	2.3
110.02367	2.2
111.04375	1.0
111.08073	4.8
113.06017	0.9
114.09122	1.6
114.10284	1.8
115.03915	0.8
117.03345	1.5
119.08560	6.2
120.08079	0.9
121.06487	1.3
121.10145	4.1
123.04397	1.0
123.08057	1.2
123.11741	0.9
124.07510	0.8
125.05959	3.1
127.03879	2.0
129.06975	4.1
130.08624	7.5
131.08533	4.4
133.04886	1.0
133.06500	1.2
133.10144	4.5
135.11671	1.5
136.03917	13.4
136.07597	3.6
137.05937	2.1
137.07860	1.1
142.07773	0.9
145.02824	3.5
145.10063	0.8
147.04428	0.8
147.08034	0.9
147.11670	5.9
149.06017	0.9
149.09613	4.4
152.07043	1.1
153.05428	5.2
153.12718	2.6
154.04968	5.3
154.06139	1.5
157.10092	6.0
163.03859	1.5
164.07066	3.8
165.07362	1.4
165.12720	1.5
166.08673	0.7
175.11145	7.7
177.05469	5.9
181.08601	6.2
184.07390	1.4
185.08047	8.7
191.03355	1.0
193.12222	27.8
211.13281	20.3
251.06497	0.8
264.37466	0.7
267.15854	7.3
280.08191	1.2
285.16928	100.0
286.17340	1.4
298.09137	3.8
313.11960	1.0
447.22043	1.6
482.22736	2.0
483.22476	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	482.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
51.27477	0.7
53.03937	5.3
55.01861	1.1
57.03413	1.5
67.05480	0.5
69.03418	12.1
69.71434	1.8
69.71861	2.9
70.06595	2.9
71.04965	1.6
72.08108	0.6
72.35314	0.6
73.02905	1.2
78.03439	14.3
80.04985	1.8
81.03407	24.3
84.08109	1.1
85.02890	10.4
86.06068	0.7
87.04427	0.7
91.05462	1.7
93.07051	0.7
96.04493	5.2
97.02883	7.4
99.04468	3.4
103.05408	0.9
106.02900	62.6
107.04949	4.9
108.08885	0.6
109.02865	14.8
110.06058	0.6
114.09155	1.4
115.03908	1.3
116.07079	1.5
119.04923	2.4
122.02423	0.9
124.03932	100.0
125.04261	1.5
127.03894	9.6
131.04919	1.3
133.04956	1.3
135.04407	1.6
136.03911	0.9
136.07610	0.9
137.05956	11.1
140.03416	1.0
143.08192	0.8
145.04968	1.2
145.06506	1.0
147.04390	8.4
151.07463	0.7
153.12712	1.7
154.04956	0.8
161.06001	1.4
163.03900	1.5
166.04935	0.9
173.05956	1.5
175.07501	1.1
177.05496	0.8
178.04979	2.4
179.07039	3.5
187.03960	1.1
193.05064	0.7
193.13754	0.6
196.06009	1.1
201.05490	2.1
202.05093	0.7
206.04517	1.4
210.18568	0.8
213.05374	0.7
215.03360	1.1
219.02850	0.7
219.06459	0.7
221.04498	0.6
229.04977	2.2
231.02884	3.3
232.05936	3.7
243.02919	1.8
249.03841	1.1
250.07074	37.6
251.07332	0.7
257.04346	2.9
268.08127	44.7
269.04529	0.6
269.08298	1.5
285.03937	7.6
297.03842	1.1
309.03876	0.7
315.04919	0.8
327.04996	1.9
345.06113	1.7
351.08600	1.6
363.06943	5.7
372.18802	0.6
405.09653	2.4
417.09753	1.0
423.28769	0.6
463.86362	0.7
464.15286	5.8
465.11670	1.0
482.21027	1.3
483.13684	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	482.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82777	0.3
53.03947	0.3
55.01851	0.3
55.05494	0.8
57.03424	1.0
61.02903	0.5
66.04696	0.3
67.05489	1.1
68.05011	1.3
69.03419	2.2
69.07061	0.4
70.06574	1.4
71.01323	0.3
71.04977	1.4
71.79515	0.4
71.79907	0.3
73.02908	0.8
79.05475	2.1
80.04992	0.9
81.03409	4.3
81.05793	2.1
81.07043	2.6
82.06567	0.6
83.04967	3.1
83.08620	1.6
84.08154	0.4
85.02898	3.9
87.04446	0.5
87.47823	0.2
91.05470	1.9
93.07024	1.6
94.06555	1.4
95.04948	1.7
95.08597	0.7
96.07506	0.4
96.08116	4.9
97.02869	1.5
97.10178	0.4
100.07543	0.3
105.07000	1.3
105.59404	0.3
107.04940	0.9
107.08565	1.3
109.02867	0.5
109.06493	0.4
109.10141	0.4
111.08061	0.9
114.09151	100.0
115.03923	0.8
115.05426	0.3
115.09516	1.2
119.08564	1.0
121.10126	0.6
124.07598	0.5
127.03906	1.0
130.08655	0.6
131.04910	0.3
131.08521	0.7
133.04922	0.7
133.10136	0.7
135.11678	1.6
136.07532	3.7
137.06000	2.8
137.07870	1.8
138.06303	0.9
145.04951	0.5
147.04474	0.4
147.11682	1.0
149.09592	0.4
152.07050	1.1
153.07460	0.4
153.12729	8.0
153.13988	0.4
157.10176	0.8
164.07036	4.1
165.07407	3.0
167.07140	0.3
168.93799	0.3
174.11235	5.0
175.11206	1.1
177.05434	0.8
188.07007	0.3
193.12218	3.9
211.13255	3.3
257.13019	0.4
267.15833	1.8
268.09738	0.4
284.12967	1.7
285.16943	10.8
287.13959	0.3
288.14206	1.1
300.14365	0.6
318.15421	6.9
348.16431	0.4
396.16193	0.4
432.18488	0.4
448.97754	0.3
464.20694	0.4
482.23819	35.6
483.24133	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3308
Annotation	Rhabdastrellin E
Peak:m/z	Relative Intensity
53.46732	0.7
55.05500	6.9
57.07051	1.6
61.87874	0.7
67.05491	9.4
69.07056	9.2
69.68980	4.4
69.69401	2.3
71.02261	0.7
73.91902	0.8
79.05471	7.4
80.68655	0.8
81.07041	15.0
83.04983	1.4
83.08603	6.2
88.83041	0.7
91.05459	12.6
91.21139	0.7
93.07031	19.2
93.24007	0.8
95.04964	1.6
95.08591	25.3
95.09186	1.6
97.06515	1.2
97.10145	2.3
98.21408	1.1
105.07008	22.0
107.08571	29.4
109.06502	1.3
109.10140	13.7
111.07986	1.1
117.06992	5.7
119.08562	44.5
121.06489	2.0
121.10122	27.8
121.10954	1.5
122.52710	1.0
123.08073	2.8
123.11672	5.7
125.09596	1.6
127.64428	0.8
128.06152	1.2
128.27869	0.8
129.07007	4.4
131.08543	18.8
133.06465	9.4
133.10095	26.7
135.08012	1.9
135.11668	16.0
137.09612	2.7
137.13245	1.3
142.07722	2.0
143.08533	9.4
144.09401	1.4
145.10098	24.3
145.11194	1.5
147.08031	11.1
147.11656	29.8
149.09615	2.3
149.13228	11.9
151.07527	1.1
153.09068	2.3
155.08551	3.7
156.09354	4.7
157.10095	12.7
158.10896	3.0
159.08127	2.4
159.11678	22.3
161.09619	3.5
161.13222	21.1
163.11195	3.1
163.14799	8.9
165.09151	3.2
167.08548	2.2
167.10674	1.3
168.09326	1.0
169.10081	6.6
170.10916	2.7
171.08127	1.0
171.11655	23.5
171.13023	1.4
172.12480	2.1
173.09583	2.2
173.13225	27.2
175.11194	5.2
175.14809	13.4
177.09207	1.2
177.12755	1.5
177.16351	4.9
179.10655	5.8
179.14217	0.9
181.10126	2.7
182.10945	1.5
183.11626	8.3
184.12456	1.4
185.13231	15.4
187.11194	2.3
187.14796	22.7
189.12755	2.8
189.16373	5.7
191.14410	1.4
191.17917	1.0
193.10310	1.1
193.12265	3.4
195.11685	4.1
197.13213	9.7
199.11180	2.4
199.14772	11.6
201.12743	2.8
201.16367	12.5
203.14363	1.8
203.17982	2.8
205.12303	1.5
206.10722	1.2
207.11742	2.1
207.13847	9.2
209.13261	4.2
210.14122	1.2
211.14740	6.1
213.12733	1.8
213.16342	11.7
213.18243	1.2
215.14339	4.6
215.17911	9.0
217.15863	1.1
217.19487	1.9
219.13872	1.9
221.13287	1.7
221.15417	2.4
223.14828	5.6
225.12740	3.4
225.16322	6.8
226.17195	1.1
227.14188	1.2
227.17915	6.1
229.15918	3.2
229.19487	2.7
231.13838	2.9
233.15305	5.5
235.14847	2.0
235.16966	1.5
237.16423	4.2
239.14426	1.0
239.17870	5.4
241.15906	2.0
241.19553	6.5
243.13768	2.3
243.17418	2.0
245.15381	3.2
247.16933	5.3
249.16422	1.8
251.17984	3.8
253.15833	1.2
253.19534	5.7
255.18651	1.0
255.20970	6.0
256.91846	0.9
257.15363	3.3
257.22604	1.1
259.17007	2.5
261.18521	2.9
263.17899	2.2
265.19467	2.5
267.17993	1.1
267.21097	6.0
269.15405	1.0
269.18958	1.7
271.16913	2.2
273.18549	5.8
275.20193	2.0
277.19556	1.7
279.21130	2.4
283.17001	1.1
283.20334	1.8
285.18555	3.8
285.21902	1.5
287.20099	5.3
291.20987	0.8
293.60361	0.8
295.20709	1.1
297.18585	1.6
297.22058	1.1
299.19949	2.5
301.21747	4.0
303.15988	3.6
305.22565	1.6
311.20273	1.2
313.21652	3.5
317.22739	1.2
319.24112	1.9
321.21927	1.3
325.21558	0.9
347.23648	1.9
351.23157	1.5
365.24811	1.2
375.30432	12.3
379.26367	3.1
385.28775	4.9
399.25378	2.8
402.52313	1.0
403.29883	33.6
404.30505	1.0
413.28320	2.2
421.30957	100.0
422.31415	2.1
431.29361	14.3
435.32608	16.4
439.28735	1.1
445.30884	2.8
449.30444	54.5
450.31018	1.3
453.33557	1.7
463.32120	14.7
467.31558	14.4
481.33133	67.2
482.33252	1.8
508.82880	1.0
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
53.03932	1.9
55.01864	12.6
55.05498	1.8
57.03154	1.3
57.03425	24.6
57.07059	1.8
59.04986	3.2
60.04509	0.8
61.02610	1.0
61.02921	18.7
67.05490	4.3
69.03037	1.9
69.03418	49.6
69.07056	57.7
70.40680	1.9
70.41080	1.9
71.01337	6.6
71.04972	3.1
73.02904	97.9
76.43431	0.8
79.05481	2.3
80.03564	0.9
81.03405	9.0
81.07038	19.9
83.01341	1.0
83.04958	2.1
83.08587	1.1
85.02891	100.0
87.04446	6.0
91.03922	3.9
91.05453	1.7
91.90993	0.9
93.07050	1.7
95.04956	2.2
95.08582	6.1
96.04497	1.8
96.08890	0.9
97.02876	88.0
98.03233	1.1
98.06032	1.4
99.04428	5.0
101.05919	1.0
103.03928	4.1
105.06989	2.4
107.04947	1.7
107.08572	3.1
109.02856	9.3
109.06490	2.8
109.10149	9.3
111.04453	1.3
114.05535	0.8
115.03912	48.5
119.08566	1.7
121.10116	3.1
123.11685	93.6
124.11986	1.8
126.05516	1.2
127.03900	37.1
133.04945	53.3
133.10075	1.4
137.05971	3.8
138.05450	1.5
144.06531	2.9
145.04932	54.2
150.07614	1.2
151.11156	87.7
152.11523	1.9
156.06541	1.1
157.04976	1.3
162.07523	1.8
163.05992	15.5
169.12233	12.1
180.08638	2.5
181.04958	2.1
183.13623	0.9
193.04985	2.7
199.05969	2.6
205.06856	1.2
211.05928	0.9
217.07047	3.3
219.13895	1.1
223.06026	7.9
241.07011	11.5
247.13295	1.4
247.16235	1.0
259.08072	10.4
265.14206	4.0
276.10666	1.2
277.09033	4.3
283.15366	35.5
284.15802	1.2
294.11789	1.7
295.10214	2.3
311.14047	1.2
312.12866	1.1
313.16428	4.5
480.21820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31256	1.2
53.03943	1.3
55.01863	2.2
56.96555	19.3
57.03436	2.9
61.02912	3.5
67.37736	1.2
69.03419	10.7
69.07050	1.2
70.06570	1.5
71.04975	1.9
71.78886	2.1
73.02903	4.1
74.97636	1.4
81.03400	3.8
81.07021	1.4
84.08126	2.9
84.96027	4.7
85.02892	23.7
86.03249	1.4
87.04462	3.8
91.04005	1.4
91.05489	3.0
95.04966	1.7
97.02879	10.8
97.06538	1.5
98.97569	64.2
99.04463	2.4
99.97875	1.2
102.96969	1.2
104.07105	3.2
109.02862	3.3
110.06035	1.5
110.07177	1.3
110.97588	5.0
111.04443	1.5
112.07610	1.9
114.09161	3.1
116.98608	47.1
119.01855	2.1
119.04926	3.3
120.97969	1.4
121.06493	2.1
127.03907	7.3
128.98610	12.8
130.08623	5.1
131.00192	2.8
131.01898	1.6
134.99651	22.9
135.00627	0.8
135.04395	2.8
136.06194	1.4
137.05936	9.5
138.05446	12.3
139.03925	2.1
140.00198	2.4
140.07018	3.4
140.98653	1.7
143.00130	3.4
143.01936	2.0
144.98047	1.3
145.01735	1.9
145.02939	1.4
145.04922	4.8
146.99614	12.3
147.03258	3.4
147.04402	9.0
149.01222	2.8
152.98659	1.7
153.00723	2.5
153.05450	2.6
155.04628	2.0
156.06546	1.4
158.99646	29.8
161.01230	8.4
161.02530	1.3
162.99213	1.2
163.02702	3.2
163.03923	4.9
165.00624	1.9
165.04366	5.1
166.04935	2.2
167.07033	5.1
170.99614	5.6
172.04233	1.4
174.04373	2.0
175.02756	2.4
176.99243	2.5
177.00699	38.5
177.05518	1.8
178.03703	1.2
179.02209	1.9
179.07066	3.3
189.00688	4.7
189.04320	8.3
191.02176	2.0
195.01802	3.6
197.08083	2.5
200.02264	2.8
201.00690	3.7
203.02171	2.5
204.05449	3.0
205.01813	1.2
205.03813	2.6
207.05396	3.3
208.04890	1.7
219.01733	25.3
219.05196	1.8
227.06963	3.5
231.05382	4.7
234.04048	1.3
234.98875	2.0
235.02861	1.6
237.02785	51.4
238.03226	1.4
242.03290	1.7
249.06230	1.3
253.03874	2.7
255.03922	3.7
256.07147	1.3
260.04449	2.7
264.07394	2.2
280.07086	1.8
291.07465	24.0
295.04849	2.0
307.04700	5.8
309.08524	52.6
310.08871	2.4
323.06494	1.7
325.10580	2.1
332.10074	5.2
345.10266	8.2
345.59979	1.7
351.09592	100.0
352.09839	2.4
420.15384	8.7
436.15112	3.9
437.13208	1.7
480.15369	5.8
481.15405	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.8
56.96551	2.3
57.03421	1.8
61.02906	1.4
69.03422	5.7
70.06575	2.8
71.04982	1.3
71.23442	1.5
71.23777	0.6
72.08138	0.8
73.02908	3.4
81.03403	1.3
82.06561	0.6
84.08123	1.5
85.02895	13.6
87.04481	1.4
91.05448	0.8
94.06546	4.3
96.08120	15.6
97.02870	5.3
98.09673	0.7
98.97562	4.6
99.04438	1.0
101.00881	1.9
103.02415	0.6
109.02866	1.6
110.01216	0.6
114.09151	91.1
115.02467	0.6
115.09509	0.9
116.98648	3.6
119.01902	7.4
121.06503	2.4
124.07578	0.7
127.03900	6.0
128.98595	1.7
131.01883	4.6
133.03459	7.1
134.99629	1.4
137.02888	1.0
137.05930	1.2
138.05475	10.0
138.09119	1.0
139.03867	0.7
140.02275	0.8
140.05566	1.1
142.08609	1.0
143.01860	4.6
145.03461	2.6
145.04907	3.5
146.99612	1.0
147.01390	0.8
149.01222	0.9
149.02853	1.0
151.04568	1.6
152.05574	0.7
152.07147	0.6
154.07082	4.3
155.01846	7.6
155.02782	0.6
157.03439	2.4
158.99670	2.8
159.04955	1.4
160.09663	2.3
161.01476	1.2
161.02898	7.8
163.03946	1.3
167.01976	0.8
167.07039	1.1
168.05022	0.6
170.06561	0.6
170.99693	1.8
171.05006	0.9
172.08171	23.3
173.02940	12.7
173.08287	0.9
174.09726	2.5
175.04509	5.8
177.00757	2.8
177.05934	1.0
180.03365	1.0
182.03381	1.4
182.06613	6.5
183.05011	1.1
185.02902	5.9
186.06111	1.4
186.09735	1.9
187.04451	1.9
188.11064	0.8
189.00642	2.1
191.03874	5.0
191.53799	1.0
192.05464	1.0
195.09802	0.8
196.04611	1.0
196.08176	9.7
197.02928	2.2
197.04596	0.9
197.06531	0.8
198.04306	4.0
198.06119	5.7
199.04573	1.3
200.04523	3.3
200.07655	91.6
201.00690	1.6
201.02492	1.4
201.06178	1.0
201.07858	2.4
203.03978	3.9
208.08148	3.8
209.04828	1.0
210.09753	0.8
214.09245	10.0
215.04062	1.0
216.07170	7.1
217.05566	1.2
218.08722	58.6
219.01700	2.6
219.03508	6.2
219.07108	1.6
219.09019	1.5
221.05069	3.1
223.09303	3.7
224.07626	1.5
226.09201	2.5
227.03969	1.1
228.10762	9.5
231.03531	1.7
231.07178	2.1
232.10284	7.3
234.08234	0.9
236.09827	1.3
237.02798	1.8
239.06100	1.0
241.05583	1.0
241.10286	2.8
242.08711	100.0
243.08925	3.5
245.05072	11.6
249.04489	1.5
254.06052	1.3
254.08733	23.6
256.10269	38.3
257.04999	1.3
257.10516	2.3
258.08316	3.4
259.06604	0.8
260.09851	2.4
261.02814	2.4
263.06110	1.5
264.07739	1.1
272.06604	2.9
272.09735	27.3
272.56726	1.1
273.07947	4.0
274.11282	10.4
275.06155	1.4
275.99213	0.8
279.03854	1.1
281.07034	11.5
281.57169	1.9
282.08121	2.6
284.09686	1.2
297.12875	1.7
300.09250	95.3
301.09418	2.7
302.07477	0.7
302.10724	3.0
305.06927	1.5
307.08353	0.9
318.10242	5.5
321.06580	7.7
321.10492	15.0
332.11960	0.8
345.04483	1.0
361.09805	1.2
362.09015	3.0
362.13101	1.8
365.09299	1.4
379.10880	1.0
382.07855	0.7
385.13278	0.8
399.14688	6.0
425.11490	0.9
480.13605	7.0
480.19849	2.7
481.09219	1.1
499.16293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3151
Annotation	Ditaxin
Peak:m/z	Relative Intensity
53.03931	2.2
55.05505	14.0
55.13554	1.4
57.03430	1.8
57.07078	1.8
57.49326	1.3
60.13351	1.3
65.03945	1.9
67.05493	22.3
69.03436	2.2
69.07056	11.1
71.30782	3.8
71.31132	1.6
75.52805	1.4
76.89090	1.8
79.05486	17.0
81.07045	32.2
82.47375	1.5
83.04996	2.8
83.08612	17.2
85.06530	1.9
91.05473	17.7
93.07034	24.4
93.98518	1.6
95.04968	6.7
95.08591	31.4
95.94627	1.4
97.06533	3.6
97.10140	1.8
105.07023	28.9
107.04904	1.9
107.08578	35.4
109.06519	3.8
109.10138	27.6
109.10851	1.8
111.08083	3.4
113.05991	3.0
117.06956	7.3
119.08559	27.5
121.06505	2.5
121.10126	41.7
121.10955	2.8
121.19501	1.5
123.08065	1.9
123.11676	16.0
125.09631	4.1
128.06235	1.9
129.06976	14.4
131.08554	15.6
133.06531	2.0
133.10106	23.0
135.08037	3.0
135.11685	17.4
137.09642	2.4
137.13229	3.3
139.07523	2.3
139.11191	4.5
141.07013	5.6
142.07748	3.0
143.08554	15.3
144.09299	2.8
145.10103	18.2
147.08061	7.0
147.11676	13.3
149.13226	8.7
153.06963	2.6
153.09108	4.1
155.08553	10.3
156.09418	3.8
157.10127	15.7
159.11700	16.6
161.09659	3.0
161.13246	16.7
163.07492	1.8
163.14812	18.5
165.09079	2.8
167.07253	1.9
167.08614	6.9
167.10706	2.1
168.09355	3.2
169.10127	18.4
170.10938	4.3
171.11662	20.3
173.09732	2.2
173.13255	13.6
174.10077	2.1
175.11212	3.5
175.14787	11.8
177.09254	2.0
177.12801	2.3
177.16435	4.1
179.08524	3.6
179.10693	2.5
181.10075	11.5
182.10927	3.4
183.11658	17.1
184.07355	2.9
185.13263	13.9
187.11168	3.3
187.14774	11.6
189.12828	4.3
189.16411	4.5
193.10303	3.0
193.12263	2.9
194.10876	1.5
195.11664	10.1
196.12561	2.5
197.13240	21.4
199.11160	1.5
199.14792	23.9
200.15231	2.1
201.12730	2.7
201.16463	6.0
203.14384	2.8
205.10268	2.5
205.12256	2.7
205.15930	2.5
207.11729	5.3
207.13622	3.8
208.12456	2.1
209.13278	12.9
210.14063	1.7
211.14775	18.1
213.16338	9.3
215.10809	1.7
215.14355	2.2
215.17880	3.7
217.12112	1.7
219.11794	3.7
219.13766	2.7
221.13275	5.7
221.15331	2.8
223.14819	9.8
225.12721	5.3
225.16315	10.6
227.18034	6.3
229.15895	2.4
231.13855	4.9
231.17548	3.2
233.13240	2.9
235.14732	3.5
237.12729	2.3
237.16386	12.2
239.18002	5.5
240.19638	3.7
243.13953	2.3
243.17451	1.6
245.15524	2.0
247.14902	1.7
249.16472	5.7
251.14511	1.8
251.17992	11.8
253.19563	4.9
257.15460	7.2
259.14633	1.7
259.16977	5.6
261.16388	2.1
263.18005	6.2
265.19669	6.5
267.21225	3.6
269.15497	2.3
271.17017	5.6
275.17886	2.9
277.19495	3.5
279.20908	2.7
281.19043	2.2
285.18829	2.9
289.19516	4.1
291.21143	3.1
297.14835	4.3
297.18408	3.2
299.20316	3.0
301.19202	1.9
303.05157	6.9
303.21133	6.5
305.19101	1.7
305.22656	4.1
309.18558	2.6
311.20172	5.3
313.19357	3.1
317.19183	1.9
317.22647	2.6
323.20065	2.2
325.21545	2.4
331.20535	3.8
331.24323	3.4
337.21713	4.2
345.22250	2.1
349.21606	2.1
351.23212	2.1
363.23077	3.2
363.26910	3.7
366.25684	3.1
373.28833	30.5
374.29657	2.3
375.30411	2.8
377.25101	2.4
383.27298	12.4
391.30048	6.0
393.35599	2.0
397.23672	1.9
401.28326	48.2
402.28952	2.2
419.29388	100.0
420.29684	3.8
429.28015	5.2
433.31006	43.3
434.31488	3.8
443.29446	5.9
447.28757	8.7
451.32175	5.3
461.30432	31.2
461.36584	2.5
465.30328	3.6
479.31583	88.5
479.37900	4.6
480.31970	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	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.6
55.01859	5.7
55.05265	1.9
55.05504	23.4
57.03431	13.3
57.07070	1.7
65.03921	3.1
67.05494	70.3
69.03428	7.6
69.07058	24.0
71.04977	7.1
79.05482	55.1
80.05805	1.6
81.03403	44.3
81.07045	80.0
82.07336	1.5
83.04961	15.0
83.08608	22.6
85.02892	17.2
85.06528	5.7
91.05465	44.3
92.05829	1.2
93.07027	59.6
95.04382	2.5
95.04955	31.5
95.08599	26.8
97.02892	7.1
97.06512	10.6
97.10143	6.5
98.20655	3.2
99.04437	3.0
99.08079	3.8
103.05440	1.8
105.07018	28.6
107.04942	6.1
107.08575	33.6
109.02875	5.2
109.06503	11.3
109.10131	9.6
111.04413	2.1
111.08072	12.1
113.05990	2.6
115.05473	1.9
115.90916	1.5
117.06987	9.5
119.08566	18.7
120.08947	1.6
121.06479	6.0
121.10130	20.1
122.10439	1.2
123.08044	4.6
123.11689	3.4
125.09627	5.5
127.03909	3.0
129.06976	10.2
131.08551	22.4
131.09496	1.0
133.06493	2.5
133.10103	17.5
135.08025	5.3
135.11664	8.6
137.09581	3.6
139.11105	1.8
141.06923	2.3
142.07779	2.5
143.08528	4.0
145.10101	4.9
147.08047	4.1
147.11656	13.3
149.09592	7.2
149.13223	22.2
153.09073	1.6
157.10086	11.4
159.11665	10.2
163.11121	3.1
165.12753	3.8
175.11142	10.0
177.12737	5.6
187.11104	1.7
189.11179	3.3
191.14241	1.6
193.12209	37.2
195.12093	1.3
195.13710	8.3
201.09032	1.4
201.12813	1.7
211.13268	45.6
213.03918	1.4
219.13857	2.8
227.12767	1.9
230.17064	1.4
233.15399	1.4
239.14349	1.6
240.19443	2.9
243.15843	2.1
249.14890	1.5
267.15857	13.0
269.17514	12.0
285.16986	1.4
293.17383	2.4
303.04880	3.2
343.22592	1.8
359.25873	1.9
369.24081	7.2
387.25070	10.7
405.26093	2.0
435.26987	1.5
443.27658	3.1
461.28836	29.7
479.29956	100.0
480.30341	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	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03939	0.9
55.05267	1.0
55.05508	11.9
57.03421	3.1
57.07056	2.0
62.06080	32.9
65.03947	1.5
67.05493	28.7
69.07059	14.5
71.04997	1.4
71.08616	1.9
71.09673	2.3
79.05489	10.0
81.03395	1.1
81.07042	29.7
83.04966	1.6
83.08607	8.6
85.02898	1.2
91.05464	5.2
93.07030	11.1
95.08586	24.2
97.06521	2.7
97.10154	4.4
98.06030	2.2
98.98453	9.3
100.15449	0.9
105.06979	5.2
107.08576	6.2
109.10142	9.1
111.08076	1.2
119.08575	4.2
121.06509	1.3
121.10125	4.6
123.11722	3.3
124.01591	1.8
125.09583	1.5
131.08507	1.2
133.10127	3.6
135.11671	2.9
145.10144	1.6
147.11658	2.4
149.13237	1.8
151.14882	0.9
155.01042	5.5
157.10204	1.1
161.13257	1.7
163.14786	1.2
173.02150	2.2
175.14828	1.2
177.12704	1.0
177.16457	1.2
185.13380	0.9
198.05280	1.7
213.86554	0.9
216.06335	3.1
242.17036	0.8
245.22681	1.7
248.96414	1.0
263.23688	7.7
303.04904	1.5
306.27869	29.0
307.27866	1.3
319.26251	0.9
337.27313	100.0
338.27631	3.7
368.23056	0.9
368.88831	1.0
386.24075	1.8
417.23996	2.6
446.69299	1.0
452.63498	0.9
460.28076	10.1
478.28946	7.4
478.35941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1195
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
52.22567	0.2
53.03936	0.3
55.01854	0.6
57.03418	0.8
61.02921	1.5
65.03936	0.3
68.99763	0.3
69.03088	0.2
69.03423	4.0
69.07054	0.5
70.06579	0.2
70.07369	0.2
71.04975	0.3
73.02895	0.7
81.03410	1.5
83.01329	0.2
84.08125	0.3
85.02892	11.1
85.08453	0.2
86.09692	9.0
87.04449	0.4
87.09470	0.3
87.10014	2.8
88.10358	0.2
91.03925	0.6
92.02605	0.7
93.03417	1.1
93.07007	0.3
94.87588	0.2
97.02871	3.6
98.21493	0.5
99.04416	0.5
109.02856	0.8
117.06963	0.2
119.04936	0.3
121.02869	1.1
126.03034	0.3
127.03891	1.8
129.82799	0.2
132.08070	0.4
133.02835	0.3
133.08427	0.2
134.06006	0.2
137.02321	0.3
137.05975	0.4
139.03877	0.8
145.04959	1.8
145.06453	0.6
146.06805	0.6
147.04355	0.9
148.04753	0.3
149.06007	0.2
151.03868	0.9
151.07552	0.2
153.01805	6.1
154.15784	0.2
155.16245	0.3
157.96346	0.2
160.07559	3.4
161.05963	0.4
161.07927	2.3
162.06725	0.2
162.08144	0.6
163.03954	0.2
163.09468	0.2
164.07007	0.3
165.01866	0.8
165.39690	0.2
171.04395	0.5
172.04688	0.5
177.05392	0.5
177.10228	0.6
178.10489	0.4
181.59193	0.2
189.05522	0.9
189.07164	0.2
190.05818	0.9
191.05997	0.7
199.18016	0.3
200.18362	0.2
201.05440	0.7
203.03450	0.4
206.08102	2.5
207.08424	2.4
208.08624	1.1
217.04915	0.6
218.05663	0.6
223.10736	1.7
224.11075	2.5
225.11327	1.0
227.17468	0.6
228.04143	1.2
228.17958	0.3
229.04921	3.3
229.18175	0.2
231.02812	0.3
245.04417	1.0
245.16336	0.2
246.05211	1.6
256.03668	0.2
257.04425	2.3
260.03165	0.3
261.07358	0.3
273.03851	1.7
274.04630	3.5
284.03076	0.4
284.84656	0.2
285.03891	3.6
290.18591	0.3
291.19168	0.2
292.16901	0.4
293.17474	0.5
302.04181	11.5
302.15820	0.3
303.04449	0.4
317.06509	100.0
318.06879	3.0
319.16336	0.8
320.16696	1.2
321.17172	1.9
336.19135	0.6
337.19449	1.7
338.12784	0.2
338.19696	2.2
366.19293	0.6
433.26559	0.7
434.25427	1.1
450.27753	0.4
451.28110	2.2
462.24893	0.8
475.70636	0.2
478.27582	0.4
479.12131	0.2
479.20529	0.2
479.27670	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	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.66960	0.3
53.03925	1.1
53.24796	0.3
55.01844	0.5
55.05505	9.5
57.03432	6.1
57.07057	1.9
62.06046	0.3
64.27438	0.3
65.03914	0.8
67.05496	21.6
69.07060	14.2
71.04964	1.0
71.08611	0.7
71.18363	0.7
71.18701	0.3
79.05482	6.8
81.07047	23.3
83.04962	1.1
83.08608	6.5
85.06516	0.9
89.64495	0.3
91.05471	4.1
93.07029	6.5
95.04944	0.9
95.08595	16.1
97.06502	1.3
97.10163	3.0
98.06026	0.5
98.20702	0.3
98.98411	0.3
99.08067	0.7
105.07008	3.3
107.08574	3.5
109.06480	0.4
109.10145	6.3
111.08059	0.8
111.11683	0.9
119.08571	2.7
121.10139	2.2
123.08050	0.3
123.11664	2.2
124.01563	0.5
125.09644	0.6
131.08542	0.4
133.10103	3.1
133.67252	0.3
135.11679	1.3
137.13219	0.8
139.11182	0.3
140.30856	0.3
147.11665	1.9
149.13191	0.6
151.11079	0.3
151.14771	0.4
161.13243	1.2
163.14752	0.5
165.16220	0.3
165.24977	0.3
175.14859	0.7
189.16280	0.4
198.05235	0.5
263.23706	1.1
306.27917	2.2
310.81882	0.3
337.27319	100.0
338.27634	3.7
478.37137	0.5
479.29672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01866	1.3
55.05492	6.6
57.03414	1.5
57.07054	2.5
61.02925	0.9
67.03391	0.8
67.05501	5.8
69.03413	2.7
69.07062	10.9
70.06580	3.5
71.04973	1.6
71.08363	2.2
72.08152	4.3
73.02919	1.7
79.05469	7.3
81.03407	3.5
81.07042	15.3
83.04962	1.3
83.08619	9.6
84.08163	0.9
85.02895	5.9
86.09702	1.9
87.00821	1.5
91.05464	5.1
93.07029	17.5
94.65907	0.8
95.04954	1.7
95.08594	43.3
96.08932	1.0
97.02863	3.2
97.06513	1.8
97.10133	2.2
99.04426	1.7
99.08073	0.9
105.01861	7.3
105.07018	7.6
107.04967	1.6
107.08577	44.8
108.04469	0.9
109.02851	2.4
109.06521	1.3
109.10144	12.1
111.04521	0.9
111.08083	1.1
114.10283	0.8
119.08558	3.2
120.08090	10.7
121.08414	2.9
121.10125	76.3
122.10467	1.0
123.08038	1.8
123.11681	27.1
125.09611	2.0
127.03886	5.5
127.07558	1.1
129.09106	0.9
130.08571	1.0
131.04922	0.9
134.05966	4.3
135.11664	14.7
137.05959	1.6
137.09570	1.0
137.13235	21.5
139.11157	9.2
145.02895	1.1
145.04907	1.8
145.10156	1.2
149.09618	0.9
149.13249	8.0
167.07054	1.5
167.10716	1.3
173.06133	0.9
174.09126	1.6
175.09422	0.9
177.05418	1.8
177.16359	100.0
178.16750	3.1
195.17409	32.2
203.11809	1.2
204.12195	1.5
231.05090	1.0
249.06116	5.0
263.16360	1.0
265.13324	2.1
281.17661	0.9
281.20721	1.0
293.09235	1.0
309.12457	0.9
312.88394	1.0
351.18777	2.6
378.18085	2.4
379.18405	11.4
394.22946	0.9
478.25623	2.7
478.37500	1.0
498.87408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01852	3.3
55.05507	16.2
56.05820	1.7
57.03418	3.3
61.02903	2.0
67.05490	18.6
68.05814	2.6
69.03419	2.7
69.07044	6.5
69.72300	9.8
70.05257	1.0
71.04975	2.9
71.06970	1.1
72.78333	1.3
75.50475	1.1
79.05483	29.8
80.05819	2.3
81.03389	5.2
81.07050	17.4
82.07371	1.6
83.04990	6.3
83.08588	6.2
84.08932	1.3
84.16252	1.1
85.02895	3.2
85.06508	2.8
86.09673	3.2
91.03955	1.4
91.05470	20.8
92.05787	2.2
93.07032	31.3
94.07375	2.3
95.04949	10.7
95.08588	12.4
96.08898	1.8
97.02867	1.4
97.06522	3.4
97.10182	7.0
98.10460	2.2
98.21481	2.5
103.05437	1.5
104.97551	1.2
105.07021	17.8
106.07351	1.5
107.04939	6.6
107.08580	8.8
108.05263	2.0
108.08909	1.8
109.02850	1.5
109.06496	4.0
109.10157	3.8
117.06986	4.0
119.08562	9.7
120.08934	1.5
121.06461	4.0
121.10123	3.8
122.06826	1.5
122.10462	1.4
123.08047	3.3
125.09595	4.1
127.03904	1.9
128.06160	1.4
129.07001	8.4
131.08530	3.9
133.06465	1.4
133.10089	4.3
135.08070	3.1
135.11699	2.7
139.07460	1.1
143.08553	5.6
145.06445	1.2
145.10112	6.6
147.07996	3.2
147.11667	17.4
148.12032	1.9
149.13272	1.9
153.09103	2.8
157.09993	1.3
161.09595	1.5
161.13220	5.0
163.07495	1.2
163.11136	1.4
169.07535	1.8
171.11656	11.8
175.11104	1.3
183.11546	1.4
189.11209	2.1
189.12712	3.2
190.11493	2.5
193.12210	1.6
195.05455	1.6
196.06207	1.4
197.07014	1.2
207.11952	1.6
207.13773	10.1
225.06540	3.9
229.06201	1.9
234.15562	1.3
239.08090	1.8
267.07663	1.4
267.15701	2.1
271.07019	1.4
273.14359	1.3
274.15076	1.8
281.17426	100.0
282.17715	4.0
285.08560	1.6
295.07162	1.9
299.18442	2.6
313.08170	2.3
350.21646	2.9
367.47818	1.4
368.22919	9.4
385.23590	2.3
386.24020	17.0
390.69788	1.2
404.24997	4.3
418.13651	1.6
442.26410	2.1
446.60117	1.4
460.15347	1.7
460.27731	17.8
478.15707	6.3
478.28946	13.0
478.35727	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	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.63284	0.3
57.03430	0.5
63.02383	0.4
68.88530	0.4
69.03417	1.0
69.57121	1.8
69.57541	1.7
70.06577	1.0
71.04982	0.5
72.08139	0.8
80.18932	0.4
81.03394	1.6
81.04520	0.7
84.08096	0.6
85.02905	1.8
86.09684	0.5
89.03899	4.7
91.05482	0.6
92.55130	0.4
97.02930	0.6
98.21404	0.6
99.04453	0.5
107.04926	1.1
109.02870	1.4
113.39514	0.4
114.09173	0.8
116.92652	0.4
117.03369	14.0
120.08089	0.7
121.06470	0.4
122.07126	1.6
124.03962	0.8
127.03897	0.7
130.08603	1.0
134.03629	1.0
135.04381	1.6
136.03955	0.4
136.07558	1.0
137.05940	1.6
138.05472	0.9
140.08206	0.5
141.06538	0.4
145.02832	42.0
146.03154	1.4
147.04375	0.6
149.05965	5.8
157.07661	0.4
158.05969	0.3
163.03862	3.0
163.07545	0.6
167.07011	0.8
177.05452	100.0
178.05814	2.8
179.38730	0.4
186.05403	1.0
195.06523	0.5
195.10133	0.7
206.08173	0.4
230.09154	0.6
250.07094	0.6
262.04193	0.4
265.08401	0.4
266.09232	0.4
268.07791	0.4
298.11554	1.1
303.05048	0.6
317.26584	0.4
321.09543	2.1
328.86005	0.4
339.06912	0.7
339.10754	5.9
405.21692	0.4
429.55804	0.4
478.17599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.05501	0.4
56.27571	0.1
56.89703	0.2
57.03432	0.2
60.04517	0.2
60.18303	0.2
62.06075	0.2
65.03918	0.2
67.05498	0.3
69.03411	0.5
70.06582	1.1
71.04924	0.2
71.79673	0.2
72.08145	1.1
78.04685	0.2
79.05464	0.6
81.03379	0.2
81.07047	0.4
85.02866	0.4
86.09692	0.5
87.08106	0.2
91.05465	1.5
92.06284	0.2
93.07012	0.4
95.04971	0.8
95.08576	0.2
97.02859	0.3
101.02367	0.2
103.05408	0.3
105.06997	0.4
106.04160	0.3
107.04954	1.0
107.08556	0.3
108.05726	0.3
109.02827	0.2
109.06509	0.5
109.10150	0.2
110.06049	0.1
111.04415	0.1
117.06985	0.2
119.03400	0.4
119.04937	0.4
119.08591	0.2
119.89421	0.2
120.04439	0.2
120.05756	0.2
120.08076	2.8
121.06491	0.4
121.08434	0.7
121.10170	0.2
122.03605	0.2
123.04405	0.9
123.08010	0.2
124.03964	0.2
127.03889	0.3
132.22311	0.1
133.10110	0.2
134.06001	1.3
135.04391	0.3
135.06360	0.5
136.05194	0.5
137.05960	3.4
138.03085	0.1
138.06715	1.7
145.02849	0.2
147.04391	0.4
147.11676	0.2
148.05171	9.9
148.11243	0.3
149.05591	0.2
151.03903	1.0
151.07515	0.5
160.57526	0.2
161.05931	0.2
165.05472	0.4
166.06252	0.4
174.09142	0.4
175.09541	0.3
175.11090	0.2
177.05453	0.3
181.08571	100.0
182.08922	1.7
186.09230	0.2
187.09412	0.3
195.10063	0.2
203.11768	0.5
204.12094	0.5
337.19720	0.2
351.18887	0.7
378.17987	0.7
379.18445	2.6
386.24130	0.2
446.35217	0.2
460.27588	0.3
478.25378	0.8
478.37125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.9
57.07051	10.8
67.05490	34.0
69.07053	26.0
71.04977	16.8
71.08612	5.8
71.80918	6.2
74.28730	3.0
79.05476	17.2
81.07046	97.7
83.08622	11.3
84.08149	3.9
85.06547	3.8
85.10159	3.9
89.09779	3.1
91.05466	24.7
93.07031	78.2
95.04943	7.6
95.08588	100.0
97.10147	11.2
105.07007	62.0
107.08572	59.2
108.58462	2.9
109.06502	8.6
109.10136	64.1
111.08054	7.5
111.11688	5.0
113.09598	4.8
117.06995	5.0
119.08564	76.2
121.10126	48.5
123.11684	24.9
131.08562	16.4
133.10106	33.9
135.11670	34.7
137.09587	7.9
137.13249	7.4
143.08551	7.2
145.10112	31.8
147.11664	33.5
149.13217	49.4
151.11169	5.4
157.10081	13.2
159.11671	28.4
161.13220	27.2
163.14828	27.4
171.11693	10.2
173.09595	3.2
173.13235	22.7
175.14778	17.1
177.12732	3.9
177.16379	8.6
185.13246	8.3
187.14774	18.7
189.16321	15.9
191.17892	8.6
197.13147	2.9
199.14789	4.9
201.16356	14.3
203.17897	16.9
213.16338	8.8
215.17908	12.4
217.19443	23.2
220.16946	3.7
225.16542	3.0
227.17857	5.3
229.19551	9.9
231.20937	4.2
238.18138	4.2
240.19569	3.2
241.19621	3.8
243.21123	5.3
257.22656	9.9
259.24283	5.1
327.30508	7.1
419.36725	14.2
445.36774	4.5
459.39874	12.9
477.41324	64.5
478.41452	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	477.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	14.5
55.05505	50.1
57.03434	7.1
67.05496	70.5
69.03414	9.6
69.07063	30.4
70.06599	4.7
70.51393	3.8
71.04975	5.6
71.79273	4.1
71.79666	6.3
79.05484	71.1
81.03392	23.0
81.07045	100.0
82.07375	6.1
83.04970	16.0
83.08607	38.0
85.06519	5.8
91.05465	72.7
93.07031	70.0
94.07343	5.3
95.04968	26.6
95.08592	65.1
97.06506	12.6
97.10151	53.3
105.07010	74.9
107.04936	18.1
107.08580	64.3
109.06509	14.3
109.10127	32.0
111.08063	7.4
115.05425	6.9
117.06995	18.1
117.22346	4.2
119.08564	55.7
121.06488	19.1
121.10115	48.7
123.08040	9.3
123.11665	12.3
125.09592	39.2
128.06146	4.8
129.07013	13.0
131.04915	5.7
131.08569	31.7
133.06490	8.9
133.10112	60.3
135.08063	8.1
135.11655	45.7
137.09619	6.7
143.08536	12.9
145.06482	14.9
145.10098	38.6
147.08020	9.3
147.11656	48.4
148.12009	4.8
149.09605	9.0
149.13249	20.2
153.09145	5.4
155.08519	7.0
157.10115	15.1
159.11693	30.4
161.09624	12.1
161.13245	65.1
163.11182	16.1
163.14828	10.6
171.11710	16.9
173.13237	15.3
175.11151	11.0
175.14818	45.0
177.12708	8.8
177.16356	10.2
183.11685	8.0
187.11139	6.0
187.14845	14.2
189.11172	13.7
189.12733	9.0
189.16428	7.6
191.10701	7.4
191.14294	15.7
193.12219	12.6
193.15898	13.3
197.13213	7.6
199.11064	7.3
203.17972	5.8
205.15913	6.1
209.11655	5.4
213.16330	7.8
215.14357	9.3
219.13824	17.5
221.15353	10.8
223.11002	5.0
227.12785	14.8
229.15912	7.1
231.13741	4.9
231.17470	15.6
233.15343	12.8
237.14815	11.9
238.18037	9.1
240.19489	10.8
241.19527	7.8
267.15982	6.0
273.14700	10.9
306.27832	16.9
335.27231	15.1
339.22852	8.4
345.25879	13.7
349.21420	11.6
353.28342	13.6
357.24191	6.9
363.26767	52.0
367.22351	35.5
381.27802	43.6
385.23651	66.7
391.21716	4.6
391.26434	12.6
395.29324	19.9
399.28952	19.7
403.24707	13.2
405.27902	13.7
409.27380	28.2
413.98734	4.7
423.28891	20.0
441.30139	13.0
442.28818	8.9
459.27332	74.9
477.28464	80.8
477.36374	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01864	10.5
55.05507	46.4
57.03429	10.1
59.04971	1.9
67.05497	49.5
67.94025	1.9
69.03416	5.2
69.07063	11.5
71.04963	3.9
71.24055	5.1
79.05017	2.9
79.05482	57.7
80.49383	2.1
81.03402	33.4
81.07042	44.3
83.04974	10.2
83.08613	25.4
85.02883	3.1
85.06515	3.2
91.05466	32.1
93.07031	32.7
95.04954	24.4
95.08595	20.9
97.06533	6.6
97.10155	38.8
102.08649	2.1
105.07006	28.6
107.04935	29.9
107.08580	27.7
109.06493	7.7
109.10133	11.0
111.04417	2.4
111.08057	6.3
115.05440	3.0
117.06997	13.7
119.04937	2.6
119.08570	17.8
121.06485	27.1
121.10095	9.9
123.08053	8.5
125.09623	32.9
128.06113	2.6
129.06975	14.2
131.04884	4.0
131.08543	19.3
133.06450	10.2
133.10097	10.5
135.08086	10.6
135.11696	6.4
137.05974	2.8
137.09583	2.8
141.06953	4.4
142.07782	2.8
143.08542	8.2
145.06476	13.7
145.10159	10.5
147.04422	2.6
147.08061	10.5
147.11678	9.3
149.09583	6.3
151.38762	2.1
153.09094	8.2
153.12715	3.5
155.08578	6.3
157.06483	4.7
157.10133	9.0
159.08078	5.4
159.11662	5.7
161.09593	3.5
163.11151	6.6
167.08611	2.6
169.10107	6.4
171.08046	4.7
171.10281	2.5
171.11685	6.4
173.09598	5.2
173.13274	3.4
175.11214	9.5
177.12785	4.3
185.09584	2.4
185.13243	4.4
187.11061	3.6
187.14796	3.8
189.11180	18.4
189.12653	3.9
193.12216	25.0
195.11702	2.7
197.13264	3.3
199.11205	4.1
205.12088	3.3
207.11697	2.6
209.13275	2.1
211.13435	3.8
213.12721	4.5
215.14381	6.4
217.12161	3.3
225.12592	3.7
227.12543	9.7
231.13809	4.7
233.15331	16.5
237.12733	3.4
239.14137	2.0
241.14281	4.2
245.15305	4.0
255.13809	4.6
257.15369	2.9
259.13281	2.2
267.15863	27.8
271.16995	3.0
273.14886	11.8
291.15933	3.3
309.05209	2.8
321.22687	2.3
339.23270	6.4
341.21176	4.7
349.21484	15.5
357.24286	8.7
367.22641	42.7
368.23080	2.7
385.23700	83.1
386.24133	4.1
403.24741	23.2
423.25223	2.9
433.25699	13.3
441.26480	8.5
459.27377	100.0
460.27698	4.2
477.28430	72.1
478.28842	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
50.89861	2.2
55.01868	10.6
55.05507	44.9
57.03435	11.9
57.51603	1.7
63.12735	1.9
65.03952	1.7
67.05495	42.2
69.03425	4.7
69.07061	13.7
69.64542	6.8
69.64973	10.0
71.04973	5.3
72.98127	1.8
73.06465	1.8
75.50665	1.8
77.97531	1.7
79.05486	45.3
81.03413	45.5
81.07049	39.5
83.04974	10.3
83.08616	27.8
85.02871	3.1
85.06514	3.5
87.54105	2.3
88.95541	1.7
91.05466	36.1
93.07036	29.7
95.04957	29.2
95.08603	20.5
97.06505	6.0
97.10151	34.4
103.05476	2.0
105.07024	27.2
107.04948	27.1
107.08580	28.4
109.06489	11.1
109.10132	14.2
111.08087	5.2
115.05479	3.0
117.07015	13.9
119.04956	2.2
119.08582	18.6
121.06480	25.7
121.10145	14.0
123.04405	2.7
123.08052	7.9
123.11765	1.9
125.09622	29.3
128.06181	2.6
129.07007	13.1
131.04930	5.7
131.08562	23.4
133.06490	8.8
133.10077	11.8
135.08035	12.4
135.11687	3.5
137.09555	2.8
141.06989	3.8
143.08539	9.4
145.06485	15.8
145.10139	13.4
147.04396	3.5
147.08060	10.6
147.11679	11.0
149.09576	9.1
151.11191	3.5
153.09145	6.6
153.12689	2.5
155.08571	5.8
157.06407	4.2
157.10153	7.5
159.08057	7.1
159.11673	7.4
161.06007	2.4
161.09695	3.4
163.11183	4.3
167.08609	2.0
169.10126	3.5
171.06732	2.1
171.08067	6.9
171.11699	8.2
173.09644	4.6
173.13240	2.6
173.59694	2.1
175.11179	6.9
177.12781	3.6
181.10182	2.3
183.08052	2.6
183.11703	3.6
185.09558	1.8
185.13306	3.7
187.11253	3.5
187.14787	3.1
189.09491	2.7
189.11226	15.7
189.12769	4.2
193.12190	23.4
195.11696	3.9
197.13437	3.2
199.11189	4.3
203.14352	2.4
209.13304	2.7
211.11336	3.0
211.13220	4.1
213.12834	3.2
215.14326	6.8
223.11137	2.6
223.13234	4.1
227.12682	13.2
231.13963	4.6
233.15367	18.5
237.12704	3.4
241.14392	4.7
245.15471	3.9
247.13191	2.4
249.14928	4.2
255.13795	4.4
267.15927	36.3
271.16821	3.1
273.14874	15.0
287.16431	3.9
291.15936	2.9
302.61426	2.2
339.23230	5.3
341.21127	6.1
349.21506	12.1
357.24362	8.5
367.22623	41.4
385.23712	69.5
403.24725	23.2
415.24759	5.4
423.25287	2.7
433.25861	21.2
441.26547	8.9
459.27399	100.0
460.27850	3.7
477.28500	69.1
478.29108	2.6
489.25275	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	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	4.2
70.06574	0.5
70.22915	2.1
70.23256	0.4
73.46671	0.4
75.94283	0.4
84.08109	2.7
86.09694	100.0
87.10030	0.8
91.05493	0.9
98.09681	1.4
105.07036	0.8
106.06550	0.5
115.05450	1.5
117.06951	2.8
119.04935	1.3
131.04854	0.5
131.07310	0.5
132.08078	3.7
132.08937	0.5
133.06476	1.2
134.05965	2.3
135.06795	1.1
143.04935	1.9
145.06465	11.3
145.07562	0.8
146.06029	0.4
147.04393	8.2
147.08070	0.9
148.07576	1.9
149.05977	1.2
151.74176	0.4
151.99835	0.5
154.15878	5.1
160.07555	56.5
161.05986	0.9
161.07953	1.2
162.09102	3.5
163.12500	0.4
164.07056	3.4
170.06085	0.6
171.04398	8.1
172.07613	0.8
173.06013	0.7
177.05403	0.7
177.10197	10.9
177.11653	0.8
178.08626	1.5
179.67242	0.4
187.08774	0.5
188.07077	1.4
189.05432	17.0
189.10188	0.7
190.08630	0.6
191.06979	1.0
199.18060	6.1
205.09761	0.7
206.08102	52.9
207.08438	0.8
219.06566	0.6
223.10744	40.8
224.10977	0.5
227.17514	9.9
228.13788	1.3
230.15379	0.8
233.09290	0.8
234.07671	0.5
245.16429	4.1
245.18646	0.6
246.14890	4.4
247.18062	1.6
273.15942	1.9
274.14334	2.5
290.18570	6.4
291.16995	13.2
301.15433	4.4
318.18143	2.5
319.16473	32.1
320.16858	1.3
336.19125	37.9
337.19470	1.7
346.17584	1.4
347.15994	3.0
364.18619	9.0
387.22910	0.7
392.18073	0.6
403.27267	0.5
404.25400	0.8
405.28476	0.7
413.25253	0.6
414.23672	0.9
431.26486	8.2
432.24899	14.2
449.27560	22.6
450.27921	0.9
459.25803	2.2
460.24420	8.0
477.27039	32.4
478.27344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75302	0.6
55.01866	1.0
56.05009	0.8
57.77702	0.5
57.84486	0.6
65.93338	0.5
68.05024	0.9
69.07066	4.9
70.06569	1.3
71.11279	0.6
79.05483	0.6
84.08119	2.4
86.09689	100.0
87.10043	1.8
94.06567	0.7
95.08587	0.6
96.08117	10.1
103.15725	0.6
105.98722	0.6
107.04902	0.7
108.08089	1.4
110.09662	5.3
111.10425	3.5
111.69475	0.5
112.11208	1.0
114.09201	1.1
115.05430	1.2
118.06513	0.7
119.04910	1.5
132.08084	2.5
133.06453	0.9
134.05943	0.8
136.07568	0.8
137.05940	0.7
138.09126	0.6
138.71295	0.6
142.20612	0.5
143.04930	1.7
145.06393	1.2
147.04375	4.7
154.15947	3.3
155.11752	2.8
160.07547	22.7
161.06007	0.8
164.07077	1.2
165.05469	1.2
171.04378	4.7
177.10248	3.7
183.11224	0.9
189.05412	6.2
189.49203	0.6
199.18024	1.1
201.05380	0.8
206.08089	21.0
206.09972	1.2
222.12306	1.0
223.10739	13.2
227.17494	2.0
245.16548	0.8
246.14989	1.3
273.15891	0.8
279.86603	0.7
290.18570	5.5
291.16873	7.0
295.16565	2.0
301.15381	1.0
313.88364	0.7
318.18210	2.8
319.16458	13.0
320.16995	0.9
336.19119	48.2
337.19489	2.7
346.17444	0.8
347.15964	1.9
364.18619	23.5
365.18814	1.3
403.27130	0.7
431.26410	2.8
432.24878	5.5
442.23654	0.8
449.27515	20.5
450.27960	0.9
459.25949	3.8
460.24210	9.0
477.26984	26.5
477.33243	17.3
478.27374	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	477.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32911	0.7
54.75364	0.6
55.01868	0.8
55.05501	4.7
57.05824	0.9
60.33259	0.6
66.21057	0.6
67.46333	0.5
68.05028	3.3
69.05805	1.4
69.07059	1.8
69.80541	1.6
69.80962	3.5
70.06583	21.7
72.08144	26.9
84.08128	0.8
85.02860	0.6
86.09695	31.0
91.05487	1.4
93.07027	1.4
95.04949	0.9
103.05460	2.9
106.06566	0.9
107.00528	0.6
117.06969	1.4
119.04945	0.8
120.08087	100.0
121.08464	1.0
124.03937	5.4
132.08069	2.4
134.05994	41.6
135.06775	10.1
136.07507	1.0
145.06450	4.2
146.06053	0.7
147.04372	1.7
154.15823	1.5
159.09209	0.8
160.07556	17.5
162.09149	1.3
163.08691	1.0
164.07060	1.2
171.04359	1.8
171.10449	1.1
172.11252	1.4
174.09120	17.4
175.14777	1.1
177.10211	3.2
178.08696	0.9
186.09116	11.9
189.05424	5.4
190.71484	0.7
195.11279	1.6
199.18018	2.4
203.11768	25.3
206.08095	17.7
222.93831	0.6
223.10748	12.5
223.12877	0.5
227.17490	3.2
245.16486	1.5
246.14896	1.2
247.95448	0.7
281.12787	2.9
283.14554	1.1
290.18579	2.5
291.16904	3.3
301.15433	0.9
315.11722	0.6
318.18146	0.8
319.16483	10.1
321.15808	1.5
330.18106	3.5
336.19070	10.8
347.15552	0.8
350.18570	25.6
364.18570	3.3
378.18069	97.2
379.18347	2.0
431.26401	3.0
432.25159	3.7
449.27576	6.8
459.25742	0.7
460.24103	2.9
477.25070	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01854	7.4
57.03418	11.4
58.06585	4.1
58.99564	2.5
61.02913	6.1
65.03918	3.4
67.00436	1.9
67.05512	3.0
68.99792	3.0
69.03424	12.5
69.45204	10.3
69.45646	9.7
69.87418	1.6
70.06567	2.9
71.04972	6.2
72.08141	3.2
73.02911	10.0
76.02221	4.0
79.05457	4.5
80.04950	1.9
81.03410	19.9
81.07038	4.3
83.01357	2.0
83.04954	4.6
84.04495	11.1
84.08118	1.9
85.02892	100.0
86.09696	4.0
87.04456	2.9
91.05444	4.0
93.03400	10.3
95.01304	1.8
95.04966	8.5
97.02306	3.0
97.02879	33.0
98.09644	1.9
99.03795	2.4
99.04440	45.5
103.03927	97.5
103.05427	4.1
105.03395	4.1
105.07000	3.9
107.04930	18.6
108.05231	2.2
109.02859	36.4
109.06500	3.2
111.00816	2.9
111.04419	7.9
114.09160	5.9
115.05441	2.3
115.09472	2.1
119.04957	4.4
121.02869	9.1
121.06478	4.1
123.04408	8.6
125.02322	2.3
125.05980	3.3
127.03896	88.9
130.04971	7.5
131.04935	4.7
133.02911	2.1
133.06465	3.4
135.00740	1.7
135.04417	7.3
137.02367	1.9
137.05971	3.1
139.03888	15.1
145.04936	68.5
147.04387	8.1
147.07629	6.5
149.02316	5.3
149.05946	4.7
151.03868	4.4
153.01880	2.7
153.05481	1.7
157.06821	2.1
159.04427	3.2
161.02324	1.7
161.05962	3.7
163.03902	22.4
163.06003	20.6
165.05504	2.2
169.04904	9.3
171.06512	10.8
173.02315	4.9
174.09433	3.3
175.00249	4.1
175.03839	2.4
177.01834	4.8
177.05461	13.2
181.04955	9.0
183.06526	5.2
187.03870	4.7
187.06010	7.7
189.01849	10.3
189.05424	2.6
191.03351	17.5
193.01344	2.8
195.02835	16.7
195.06497	11.4
200.04570	1.9
201.05435	5.7
203.03442	3.5
205.04938	10.7
205.06868	3.9
207.02837	27.7
207.06516	6.1
209.08101	3.3
213.07515	13.0
216.03165	2.7
219.02875	65.7
219.06206	2.5
220.03134	2.8
223.02330	3.4
223.82156	2.1
225.03923	15.7
226.04237	2.3
229.04933	5.3
231.02820	2.0
233.04189	11.4
233.08063	7.2
235.02498	1.8
237.03918	61.3
237.07489	22.2
243.03050	2.7
245.04564	3.2
247.08051	15.3
249.03847	4.4
257.04355	3.0
261.03912	52.7
261.07550	24.9
271.07959	2.2
273.03934	15.4
276.00684	1.8
279.08591	32.1
285.03854	7.1
287.05603	2.2
291.05032	11.1
297.09784	4.5
302.11456	2.1
303.04968	17.4
309.07532	5.6
315.17896	2.4
321.06085	17.8
327.08606	9.1
330.14771	19.7
331.12967	3.1
339.07498	34.5
340.07806	2.0
357.09485	7.6
381.09625	9.2
393.09705	12.0
405.10168	2.6
423.10480	6.3
441.11572	6.7
459.12601	2.3
477.23865	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	477.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
58.06579	0.4
69.03414	1.1
70.84543	0.7
71.04955	0.4
74.44939	0.3
79.05477	0.5
81.03416	2.4
85.02888	2.1
86.06048	0.3
89.03900	4.1
91.05463	0.3
93.03373	0.4
95.04932	0.6
97.02888	0.7
99.04438	0.8
103.03947	0.7
107.04957	1.9
109.02843	1.4
111.04385	0.4
114.09193	0.3
114.60245	0.3
117.03355	5.8
123.04388	0.4
127.03882	0.6
135.04402	14.1
145.02829	10.0
145.04939	0.4
145.46933	0.3
147.04297	0.3
151.03864	0.5
153.07574	0.3
163.03885	100.0
164.04202	2.3
173.57291	0.3
177.05424	0.5
181.04932	2.4
191.03256	0.4
195.02806	0.4
207.02840	0.9
219.02858	1.7
225.03946	0.6
237.03947	1.7
261.03967	1.8
273.03836	0.5
294.41602	0.4
303.04892	0.8
307.07996	2.0
315.17847	0.5
321.06027	0.5
325.09088	4.4
327.08392	0.5
330.14813	0.4
339.07648	1.0
381.10095	0.3
429.65439	0.4
477.23074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01857	4.4
55.05487	0.6
57.03426	4.6
58.06593	5.0
61.02875	1.4
65.03918	3.2
67.05494	3.8
68.99766	1.5
69.03411	1.3
70.06561	0.7
71.04982	0.5
71.18158	0.8
71.18507	1.0
76.35065	0.6
77.47300	0.6
79.05444	2.6
81.03397	4.4
81.07057	0.7
83.01316	3.8
83.04939	1.7
85.02890	22.5
86.03217	0.6
89.03875	1.5
91.05454	3.6
93.02836	0.8
93.03384	12.8
93.06971	0.8
95.01298	1.4
95.04952	9.5
97.02882	4.8
99.04388	0.6
103.03936	3.0
103.05450	1.3
105.03375	5.5
105.07004	1.4
107.01278	2.1
107.04929	12.6
108.05239	2.7
109.02857	8.5
109.06470	2.3
110.03655	0.7
111.00761	2.7
111.04430	6.5
114.09138	1.0
115.05426	1.4
117.03394	0.8
117.06995	0.8
119.04932	6.0
121.02063	0.6
121.02859	10.0
121.06456	2.2
123.04409	8.4
125.02306	2.1
127.03812	0.6
131.04840	3.0
133.02820	1.3
133.06435	2.7
135.00793	0.7
135.04388	5.5
137.02283	1.1
137.05974	3.4
139.03844	5.5
141.01718	0.7
143.04868	2.3
144.05234	0.8
145.02817	3.1
145.06461	2.2
147.04376	9.5
148.81764	0.6
149.02307	4.7
149.05881	1.9
151.03896	4.1
153.01775	4.4
159.04437	4.5
161.02321	2.9
161.05945	4.2
163.03873	9.6
164.53641	0.6
165.01817	2.0
165.05424	1.4
165.67719	0.6
167.03317	1.4
171.02907	1.3
171.04324	1.1
173.02316	9.8
173.05945	1.4
175.00208	5.6
175.03857	2.2
175.07523	0.8
176.07799	0.9
177.01823	5.0
177.05403	4.5
179.03345	0.9
179.84886	0.6
181.04887	1.4
183.04259	0.7
185.05884	0.7
187.03900	5.7
189.01787	13.9
189.05458	2.1
191.03354	20.5
191.07028	0.7
192.03668	0.8
193.01265	2.1
195.02849	20.1
197.00769	0.6
199.03877	2.0
201.01804	2.0
201.05426	2.6
203.03380	2.7
205.01230	3.2
205.04900	4.6
207.02855	36.8
208.03127	0.9
209.04378	3.9
209.06062	0.6
211.03954	0.7
215.03351	5.6
217.01416	1.0
217.04924	1.8
219.02846	100.0
220.03085	2.9
221.04434	2.3
223.02293	5.6
225.03894	21.0
226.04108	0.7
227.03369	1.4
229.04921	5.4
231.02777	4.3
233.04424	19.0
235.02330	1.2
237.03893	87.8
238.04242	2.5
243.02820	3.8
245.04390	3.3
247.02417	0.8
247.06032	4.1
249.03810	6.8
251.05267	1.6
255.02890	1.0
257.04395	4.6
259.02283	1.5
261.03891	84.0
262.04279	2.1
265.06979	0.9
270.11996	1.6
273.03882	23.7
274.04208	0.9
275.05429	2.6
283.05927	0.9
285.03864	11.8
287.05472	0.9
291.04938	15.7
297.07440	2.9
303.04932	29.6
304.05228	1.4
309.03970	1.0
309.07449	8.1
314.17294	3.1
315.08701	1.8
315.17719	10.0
321.05969	25.4
322.06372	0.8
325.07059	2.0
327.08575	16.5
339.07779	45.6
340.08331	2.4
351.08707	0.8
357.09717	10.5
363.08481	2.0
375.07776	0.6
381.09631	13.8
393.09592	18.1
405.09885	4.1
423.10602	6.8
424.10516	0.8
441.11734	7.4
459.11902	2.0
474.88147	0.7
477.12061	2.2
477.23050	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	476.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	14.6
57.07053	15.5
67.05492	25.3
69.07060	46.2
69.66520	32.9
71.04973	11.9
79.05484	20.5
81.06590	8.5
81.07041	100.0
83.08595	9.4
85.03952	4.4
91.05471	24.0
93.07023	40.1
95.08596	63.5
97.10161	5.6
99.08042	6.4
105.06996	38.2
107.08570	49.6
109.06394	4.6
109.10144	51.6
111.11681	4.8
119.08554	25.8
121.10113	34.1
123.11702	18.4
125.09592	14.5
127.11182	8.6
131.08549	14.7
133.10117	25.4
135.11693	23.8
137.13245	8.3
143.08534	6.7
143.10593	27.2
144.01662	3.8
145.10109	27.0
145.76425	3.9
146.56342	3.9
147.11635	20.9
149.09779	4.4
149.13228	16.8
151.11150	8.1
157.10120	14.3
159.11684	15.8
161.13220	13.7
169.12180	6.5
171.11676	10.5
173.13246	14.5
175.14816	9.1
185.13231	11.2
187.14795	8.1
189.16374	6.4
191.10716	4.0
198.97920	4.2
201.16391	7.0
203.17909	6.5
209.57231	3.9
227.17915	5.2
238.18002	8.7
251.04575	16.9
252.04871	9.4
257.22577	6.1
283.24066	8.1
363.17044	7.9
364.17432	16.4
423.36163	7.3
461.19110	6.2
476.21664	15.9
476.35300	17.2
477.22546	8.8
477.36172	8.5
499.25430	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	476.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	6.7
55.05502	22.2
57.07062	25.3
67.05495	43.1
69.07062	48.5
70.96393	7.2
70.96728	10.2
71.04979	10.0
71.95643	5.2
73.34956	5.9
79.05485	27.5
80.05801	5.2
81.07039	100.0
83.08613	13.4
85.06521	6.4
88.46284	6.3
91.05471	28.0
91.49129	4.8
93.07033	53.3
95.04927	7.0
95.08593	83.6
97.06541	5.6
97.10173	10.0
99.08058	5.5
105.07004	47.2
107.08578	73.2
109.06520	10.8
109.10146	58.8
117.06947	6.0
119.08577	46.4
121.10113	41.8
123.11676	25.9
124.11330	6.0
125.09647	10.7
127.11211	6.0
131.08588	13.1
133.10112	29.0
135.08076	6.2
135.11650	31.9
137.13229	10.8
143.08560	7.1
145.10110	20.3
147.11684	30.2
149.13237	23.1
151.07527	10.9
153.12733	9.1
157.10127	7.6
159.11713	15.2
161.13254	10.8
163.14827	12.2
171.10185	11.1
173.13304	13.7
178.59013	5.3
183.11726	6.4
187.14786	8.1
189.16490	15.3
191.10632	7.6
191.17947	7.9
199.14755	8.2
201.16379	10.2
203.18047	10.9
213.16423	6.0
213.78510	5.8
230.40948	5.9
238.17952	14.0
239.18376	12.1
251.04684	11.1
252.04939	7.7
306.12250	5.6
306.15625	6.5
363.17114	7.2
364.17438	15.6
420.23965	6.5
423.35748	7.6
430.65524	6.1
452.76251	6.3
476.35583	35.8
477.36523	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	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01859	2.4
55.05505	12.6
57.03421	3.0
57.07080	2.2
57.41144	1.2
62.05791	2.3
62.06084	34.7
67.05496	34.2
69.07064	8.6
69.60885	7.1
69.61324	5.1
79.05483	22.3
81.03397	3.9
81.06592	2.5
81.07046	32.5
83.08617	6.0
91.05466	14.5
93.07037	25.0
95.04971	3.3
95.08591	28.3
97.10118	2.9
98.06051	9.2
98.21497	2.7
98.98434	8.9
105.07022	8.3
107.08570	15.2
109.06482	1.5
109.10144	10.7
111.04436	1.7
111.08106	1.9
117.07018	2.3
119.08540	8.8
121.06522	1.6
121.10115	10.3
123.11669	2.2
131.08551	3.7
133.10107	4.9
135.08018	1.7
135.11679	8.3
145.10109	3.8
147.11688	4.7
149.13249	3.9
155.01028	3.4
159.11697	2.5
161.13249	1.9
163.11176	2.7
163.14877	1.6
173.02153	2.3
173.13260	2.9
175.14857	1.4
211.74359	1.5
216.06284	3.0
228.13133	2.0
243.21031	3.6
261.22177	6.2
304.26331	84.1
305.26694	3.7
335.25766	100.0
336.26056	4.8
458.26437	9.6
459.27185	1.4
476.27573	11.5
476.35419	2.4
477.28036	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	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.05264	0.5
55.05503	6.6
57.03429	7.5
57.07059	0.8
65.03910	1.2
67.05493	25.6
68.05795	0.4
69.03420	0.5
69.07057	6.9
70.14176	1.7
71.04975	1.1
74.13016	0.4
79.05479	13.6
80.05817	0.4
81.07043	22.0
83.04950	0.9
83.08596	3.0
85.06546	0.4
91.05465	7.2
92.05778	0.5
93.06418	0.6
93.07025	15.0
95.04936	1.6
95.08588	17.9
96.08926	0.4
97.06496	1.5
97.10160	1.3
97.94641	0.3
98.06022	0.4
98.21371	0.6
98.98433	0.6
99.08015	0.4
105.07012	4.6
107.04948	0.3
107.08574	7.1
109.06477	0.7
109.10140	6.6
111.08060	0.5
113.63506	0.3
117.06986	1.5
119.08545	3.5
121.10123	5.4
123.11667	1.4
125.09591	0.6
131.08542	2.6
133.10092	2.4
135.11632	2.8
137.13176	0.5
145.10106	1.6
147.11668	1.7
149.13235	1.4
151.11194	0.3
153.12823	0.4
159.11652	1.1
161.13226	0.6
163.11023	0.4
163.14890	0.6
167.08614	0.4
173.13235	0.8
175.14793	0.5
187.14754	0.7
216.06285	0.7
232.14456	0.4
232.45573	0.4
261.22293	0.8
279.59985	0.3
304.26306	2.7
335.25745	100.0
336.26160	2.4
413.30179	0.4
458.26312	0.6
459.26959	0.5
476.30258	0.4
477.28265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30851	0.4
53.03928	0.4
55.01857	0.9
57.03427	0.9
57.39002	0.4
58.06594	25.7
61.02934	0.5
62.45652	0.3
67.05507	0.6
69.03419	2.6
70.61528	1.4
73.02921	0.5
79.05501	0.4
80.99256	0.3
81.03415	1.2
83.01331	0.4
83.65981	0.4
85.02897	4.9
86.09705	1.8
91.05486	0.7
93.03382	1.9
95.04958	1.4
97.02884	1.7
98.20837	0.6
101.06033	0.6
105.03358	0.4
107.04945	39.0
108.05279	0.5
109.02868	1.7
111.04440	0.8
114.09174	2.3
115.05448	4.5
117.07011	1.3
121.02847	1.9
121.06498	4.1
123.04414	1.1
127.03918	0.7
131.04919	1.4
133.02882	0.8
133.06487	0.6
135.04439	1.0
136.98062	0.4
137.05959	6.5
143.04912	8.5
145.06461	4.7
147.04376	1.0
147.08049	0.5
149.05962	0.7
151.03868	0.7
151.07521	1.3
153.01770	0.7
159.47925	0.4
161.05998	0.7
163.03906	2.3
163.07541	1.1
165.01807	0.7
173.02345	0.9
173.05974	0.4
175.07539	3.7
177.01932	0.6
177.05522	0.8
177.09142	0.8
178.08751	0.6
187.03952	0.6
189.01820	1.9
191.03400	2.4
191.08533	0.9
192.10170	2.0
193.11029	0.6
194.07196	0.9
194.11746	1.1
195.02914	2.4
207.02866	3.5
207.12617	0.7
209.04359	0.6
209.09547	2.9
211.11154	1.2
215.03343	0.4
219.02861	11.0
223.02344	0.8
225.03981	2.2
229.05046	0.5
233.04498	1.5
237.03951	10.3
237.09029	3.9
239.10738	0.9
243.02774	0.6
254.09396	0.5
261.03922	9.5
269.11703	12.4
271.13226	2.6
273.03848	2.2
285.04022	1.0
291.04947	2.2
297.07721	0.5
303.04962	3.0
309.07614	1.1
314.17456	51.8
315.08545	0.5
315.17828	1.6
321.05994	2.6
327.08649	1.8
339.07751	6.0
357.09473	1.0
381.09491	1.5
393.09702	2.2
423.10800	0.7
441.11795	1.1
476.22760	100.0
477.23193	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	476.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03414	0.8
58.06591	26.0
61.02909	0.6
61.66800	0.2
65.03894	0.4
67.05469	0.5
68.05025	0.3
68.99809	0.2
69.03422	2.8
70.06571	0.5
70.41174	0.2
71.04969	0.3
71.47401	0.5
72.08144	0.5
73.02888	0.8
74.43347	0.3
79.05476	0.7
81.03410	1.9
81.05781	0.4
81.07069	0.2
83.04967	0.6
84.08154	0.3
85.02888	4.6
86.09669	1.8
87.04451	0.4
87.19563	0.2
91.05461	1.0
93.03368	0.9
93.07018	0.6
95.04955	1.3
95.08523	0.2
96.08123	0.4
97.02875	1.6
99.04405	0.3
101.05943	0.3
103.05470	0.7
105.06999	0.6
106.02911	0.6
107.04938	36.6
108.05273	0.5
109.02867	0.8
109.06511	0.5
110.06062	0.4
111.04394	0.2
114.09151	9.1
115.05428	4.1
116.07016	0.4
117.06998	1.0
121.02835	0.6
121.06488	4.9
123.04389	0.5
124.03932	0.4
127.03893	1.0
130.08569	0.5
131.04900	0.9
133.06520	0.3
135.04430	0.7
136.03891	0.3
137.05960	5.7
143.04898	7.9
144.05267	0.2
145.05244	0.4
145.06461	5.6
147.04375	0.8
147.08026	1.1
149.05936	0.6
149.08401	0.3
151.07494	1.3
153.01851	0.3
157.06517	0.3
160.05176	0.5
161.05960	1.0
163.03897	1.5
163.07520	1.0
165.05627	0.3
165.07025	0.2
166.70970	0.3
170.56044	0.2
175.07515	4.2
176.10623	0.6
177.01756	0.3
177.09111	1.0
178.08589	0.5
179.03239	0.3
181.06459	0.6
181.10173	0.3
183.08041	0.4
187.07504	0.3
189.01852	0.6
191.03426	0.7
191.08568	0.6
192.10136	2.3
193.11002	0.7
194.00291	0.5
194.07285	0.4
194.11711	0.8
195.01202	0.3
195.02881	0.8
195.08215	0.3
204.10292	0.3
207.02925	1.3
207.12509	0.4
209.02641	1.1
209.09618	2.6
211.11201	1.0
219.02885	3.8
219.08057	0.6
225.03925	0.8
229.04915	0.3
233.04520	0.6
236.08444	0.3
237.03877	3.8
237.06163	0.3
237.06676	0.3
237.09055	3.9
238.09822	0.3
239.10686	0.8
243.03049	0.3
245.04379	0.3
251.10655	0.4
261.03906	3.4
269.11676	10.3
270.11996	0.5
271.13187	2.5
273.03961	1.0
282.14832	0.4
285.03894	0.5
291.05093	0.7
303.04977	1.1
309.07639	0.5
314.17438	22.5
315.17804	1.0
321.06076	1.1
327.08478	0.5
339.08078	2.1
350.42328	0.3
357.09570	0.5
381.09991	0.6
393.09708	0.8
423.10718	0.4
432.49548	0.3
476.22720	100.0
477.16714	0.5
477.23111	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	475.3776
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
52.03460	1.0
55.05494	4.2
57.07055	0.9
58.81918	0.8
66.33341	1.0
67.05494	6.7
69.07048	4.6
71.04980	9.3
75.66698	1.0
79.05473	4.3
81.07034	10.3
83.04987	1.1
83.08593	3.5
85.06531	2.3
91.05470	5.1
93.06503	1.2
93.07034	10.3
95.04948	2.1
95.08592	16.5
97.06490	1.4
97.10146	2.4
99.08076	5.2
105.07001	7.9
107.04893	1.2
107.08573	24.8
109.06504	1.4
109.10131	16.1
111.08056	1.1
117.07000	1.6
119.08557	9.5
121.10121	16.9
123.08013	1.3
123.11694	7.4
125.09596	8.7
127.07529	2.3
127.11150	1.5
131.08519	4.0
133.10115	9.9
135.08043	5.8
135.11667	12.0
137.09602	3.6
137.13217	2.9
143.08553	1.6
143.10623	14.7
145.10080	9.1
147.11661	10.3
149.09586	13.8
149.13184	6.0
151.11169	1.4
157.10092	3.2
159.11667	5.6
161.09535	1.4
161.13257	5.1
163.11197	2.5
163.14799	3.1
171.11626	3.4
173.13235	3.3
175.14734	3.7
177.16328	1.8
185.13188	2.2
187.14792	3.8
189.16251	5.7
191.14264	1.0
191.17937	12.7
197.13211	1.3
199.14659	2.5
201.16420	4.7
203.17928	5.1
205.15892	1.5
213.16380	3.3
215.17912	1.7
217.15919	6.2
217.19485	2.3
218.08759	1.2
227.17992	1.3
228.72884	1.2
231.17371	4.4
233.15184	1.2
235.16933	2.9
249.18500	2.1
257.22662	1.9
327.54593	1.0
341.28333	1.5
351.30646	1.5
369.31564	1.2
399.89215	1.1
421.34540	10.5
439.35641	29.2
457.36703	100.0
458.36981	5.1
475.26266	1.3
475.36789	2.0
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
53.03932	1.4
55.01864	10.0
55.05503	1.1
57.03430	20.6
59.04973	2.5
60.72370	0.8
61.02915	17.6
65.11300	0.8
69.03421	34.9
70.81913	3.1
71.01348	5.3
71.04987	2.6
73.02906	100.0
79.05478	1.4
81.03409	6.6
85.02893	82.8
86.09684	6.0
87.04453	5.8
91.03931	3.5
95.08570	1.2
96.04469	1.0
97.02877	61.6
99.04470	4.7
103.03917	2.8
105.07004	8.4
109.02859	8.3
112.26315	0.9
113.25006	1.1
115.03910	35.6
119.08546	4.3
124.05178	13.8
126.05488	1.0
127.03001	1.9
127.03898	29.6
131.32423	1.0
132.06525	1.2
133.04948	43.0
133.06427	7.7
133.10139	3.4
134.05333	1.0
137.05962	14.8
144.06526	2.8
145.04941	38.6
150.07619	4.0
156.06511	1.2
157.06427	0.9
160.07564	3.5
162.07596	1.5
163.06017	16.0
163.07343	1.9
165.09097	42.0
175.07516	2.0
175.14818	12.4
177.05382	1.5
177.10350	1.0
179.03607	1.0
180.08629	1.4
187.07521	2.0
189.05511	1.1
189.09099	2.9
193.04968	2.3
193.15871	1.6
195.06499	1.2
199.06009	1.8
199.88673	1.0
201.09123	2.8
206.08092	2.4
217.06993	1.7
223.05910	6.3
223.10741	2.4
231.10004	1.1
241.07051	10.7
243.10121	2.9
259.08084	8.4
261.11221	5.0
276.10678	1.0
277.09213	1.9
291.86523	0.9
292.37314	1.1
294.11884	1.1
295.10294	2.3
319.16562	2.2
336.19122	2.3
449.27728	1.4
477.26825	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3776
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
55.05506	4.7
57.03429	1.0
57.07069	2.0
67.05489	7.5
69.03419	1.3
69.07057	5.3
69.68671	4.8
69.69078	1.7
71.04979	10.1
73.06511	1.0
79.05478	6.4
81.07041	14.2
81.98276	0.8
83.04970	1.3
83.08597	3.1
85.06527	2.3
91.05451	7.5
93.07030	13.5
95.04972	2.0
95.08588	14.7
97.06485	1.1
97.10162	2.9
99.08090	5.3
105.07007	9.2
105.80127	0.8
107.08572	27.0
108.08113	1.1
109.06496	1.9
109.10143	12.1
111.08007	1.3
111.11683	0.9
117.06980	1.4
118.64339	0.8
119.08560	10.6
121.06420	0.9
121.10123	17.9
123.08022	0.9
123.11689	7.7
125.09602	9.5
127.07512	2.0
127.11160	1.8
129.07031	1.3
131.08566	4.1
133.10100	10.3
133.11008	1.1
135.08058	5.7
135.11671	15.3
137.09586	4.4
137.13211	2.2
139.11172	1.5
143.08560	1.7
143.10640	12.1
145.10097	10.5
147.11667	9.5
149.09605	10.7
149.13225	6.3
151.11177	2.2
155.08594	1.1
157.10158	2.9
158.11002	0.9
159.11665	8.0
161.09586	1.2
161.13258	4.8
163.11134	1.7
163.14786	3.7
169.10100	1.0
171.11690	3.2
173.13264	2.9
175.11169	1.5
175.14771	4.0
177.12643	0.9
177.16292	1.5
179.14330	1.1
185.13164	2.2
187.14795	4.1
189.16418	5.0
191.14235	0.9
191.17905	11.7
192.18027	1.1
199.14833	3.0
201.16283	5.2
203.17944	4.6
205.15837	1.8
207.17407	1.5
211.14880	1.1
211.81465	0.9
213.16342	2.8
215.17885	1.7
217.15889	5.6
217.19531	2.3
219.17390	1.6
220.16974	1.2
222.14168	0.8
231.17361	4.8
233.15337	1.9
235.16859	2.2
238.17993	3.2
240.19830	0.9
241.19554	0.8
243.21027	1.0
249.18578	2.6
257.22574	1.4
285.21942	1.4
341.28256	1.4
351.30688	0.9
368.42157	0.9
369.31232	1.5
375.98737	0.8
380.19736	0.9
421.34583	9.1
439.35709	27.1
457.36691	100.0
458.37100	4.6
475.29184	1.5
475.35742	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	475.378
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
55.05498	6.0
57.07075	1.5
67.05496	8.5
69.07053	5.1
71.04980	9.6
71.38164	2.2
71.38494	1.2
75.11942	1.2
79.05491	7.8
80.45598	1.2
81.07052	17.2
83.04961	2.8
83.08601	4.1
85.06519	1.4
91.05460	8.9
93.07031	16.4
95.04968	3.3
95.08592	20.3
97.06516	2.1
97.10160	3.2
99.08069	3.1
105.07026	12.9
105.19311	1.3
107.08579	32.4
109.06547	2.4
109.10136	17.3
110.10492	1.6
111.08087	1.8
117.07027	1.7
119.08568	15.0
121.10125	22.7
123.08073	1.8
123.11729	7.8
125.09622	9.6
127.11195	1.5
129.06947	1.6
131.08572	4.1
133.10098	11.4
134.10481	1.5
135.08035	5.5
135.11678	14.6
137.09595	3.9
139.11160	1.4
143.08524	3.5
143.10616	6.9
145.10106	11.1
147.11700	8.0
149.09613	15.1
149.13226	5.1
151.11230	1.2
157.10088	3.6
159.11642	7.7
161.09561	1.5
161.13242	7.2
163.11116	2.5
163.14789	5.2
165.09073	2.9
171.11707	3.5
173.13255	3.5
175.11218	2.4
175.14809	3.7
177.16368	1.5
187.14812	2.9
189.16412	6.4
191.14255	1.4
191.17975	12.1
199.14720	2.8
201.16338	4.5
203.17949	4.6
205.15828	2.5
213.16354	2.4
215.17972	2.8
217.15860	7.1
217.19475	3.4
219.17322	2.1
229.19489	1.7
231.17418	5.3
233.15453	2.5
235.17082	1.7
238.18106	2.7
249.18623	2.4
257.22650	1.9
335.27081	2.1
369.31534	1.6
421.34656	12.1
439.35724	36.3
457.36740	100.0
475.26776	3.8
475.36472	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	475.3777
Annotation	Lycocryptol
Peak:m/z	Relative Intensity
50.37355	0.9
50.87136	1.0
52.48369	1.1
52.49285	1.0
53.03936	1.3
55.05495	6.3
59.04993	1.1
67.05495	9.1
69.07052	6.5
70.55851	1.0
71.04982	9.4
71.48582	2.5
75.56977	1.2
79.05479	9.0
81.03403	4.8
81.07040	15.5
81.07478	1.7
83.04964	2.4
83.08600	5.3
85.06505	2.8
86.09675	2.6
91.05464	5.1
93.07034	15.8
95.04961	3.9
95.08594	16.3
96.08927	1.2
97.06522	1.8
97.10165	3.5
99.08083	3.2
105.07016	12.1
107.04917	1.9
107.08572	27.1
108.08961	1.5
109.06525	1.6
109.10145	14.8
111.08034	1.3
111.11686	1.6
117.07013	1.9
119.08554	13.2
121.06480	2.7
121.10126	19.2
123.08039	2.4
123.11687	8.0
125.09596	8.9
127.07570	2.3
127.11179	2.0
129.07007	1.8
131.08553	4.3
133.06465	1.5
133.10112	12.0
135.08009	5.9
135.11662	15.9
137.09608	4.3
137.13277	2.1
139.11142	1.5
139.83954	1.0
142.58527	1.2
143.08543	2.0
143.10638	10.5
145.10101	10.6
147.08002	1.3
147.11668	8.8
149.09596	11.0
149.13234	5.2
151.11166	3.0
152.17668	1.0
157.10123	3.4
159.11699	8.1
161.09550	1.9
161.13219	5.7
163.11171	2.0
163.14771	2.5
165.12706	1.2
167.14305	1.2
171.11581	2.7
173.09668	1.5
173.13260	4.2
175.14813	2.9
177.16328	1.5
183.11789	1.2
187.14832	3.2
189.16374	5.2
191.14311	1.7
191.17924	12.2
193.12172	1.3
199.14745	1.4
201.16389	3.8
203.17950	4.9
205.15837	1.5
211.14740	1.2
213.16382	2.9
215.17943	2.6
217.15886	5.9
217.19516	2.1
227.12779	2.7
227.17880	1.9
231.17419	3.8
235.16943	1.7
241.04167	1.2
249.18483	3.1
285.22058	1.2
367.30228	1.6
369.31296	2.2
379.51666	1.1
383.22131	2.7
401.23267	1.5
421.34738	9.8
433.19400	1.0
439.35669	27.0
448.24442	1.3
457.26129	2.7
457.36700	100.0
458.37067	5.1
459.74805	1.1
475.27075	10.1
475.36960	5.7
476.26706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3775
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.82923	1.1
55.05497	2.7
67.05476	3.6
69.07060	2.1
69.68325	1.2
71.04978	9.3
79.05461	4.0
81.07041	12.8
83.04955	1.3
83.08599	2.6
83.77795	1.1
85.06545	1.3
86.42116	1.1
91.05474	4.9
93.07023	10.9
95.04963	1.3
95.08595	14.0
95.10188	1.1
95.53075	1.2
97.10167	1.9
99.08092	4.7
101.13770	1.2
105.07012	8.7
107.08573	25.0
109.10141	11.9
119.08563	9.4
121.10121	17.9
123.11690	7.1
125.09608	7.1
127.11115	2.3
131.08533	2.5
133.10118	9.4
135.08061	5.1
135.11671	12.5
137.09601	3.1
137.13205	2.9
143.10638	12.3
145.10164	6.9
147.11661	6.5
149.09596	10.9
149.13225	3.7
151.11185	2.4
157.10062	2.6
159.11662	6.1
161.13242	4.2
163.14789	4.4
171.11768	1.3
173.13225	2.8
175.14807	3.6
183.38988	1.2
187.14783	3.6
189.16380	5.3
191.17896	10.9
199.14780	2.6
201.16389	4.4
203.17957	4.5
213.16335	3.0
215.17906	1.5
217.15849	5.3
217.19521	1.8
231.17276	6.4
233.15291	2.4
241.19469	1.2
249.18469	1.4
257.22589	1.5
341.28348	1.3
421.34610	10.3
439.35587	24.2
457.36703	100.0
458.37103	4.2
465.49420	1.4
466.01062	1.3
475.36710	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	475.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.0
57.07075	1.5
67.05496	8.5
69.07053	5.1
71.04980	9.6
71.38164	2.2
71.38494	1.2
75.11942	1.2
79.05491	7.8
80.45598	1.2
81.07052	17.2
83.04961	2.8
83.08601	4.1
85.06519	1.4
91.05460	8.9
93.07031	16.4
95.04968	3.3
95.08592	20.3
97.06516	2.1
97.10160	3.2
99.08069	3.1
105.07026	12.9
105.19311	1.3
107.08579	32.4
109.06547	2.4
109.10136	17.3
110.10492	1.6
111.08087	1.8
117.07027	1.7
119.08568	15.0
121.10125	22.7
123.08073	1.8
123.11729	7.8
125.09622	9.6
127.11195	1.5
129.06947	1.6
131.08572	4.1
133.10098	11.4
134.10481	1.5
135.08035	5.5
135.11678	14.6
137.09595	3.9
139.11160	1.4
143.08524	3.5
143.10616	6.9
145.10106	11.1
147.11700	8.0
149.09613	15.1
149.13226	5.1
151.11230	1.2
157.10088	3.6
159.11642	7.7
161.09561	1.5
161.13242	7.2
163.11116	2.5
163.14789	5.2
165.09073	2.9
171.11707	3.5
173.13255	3.5
175.11218	2.4
175.14809	3.7
177.16368	1.5
187.14812	2.9
189.16412	6.4
191.14255	1.4
191.17975	12.1
199.14720	2.8
201.16338	4.5
203.17949	4.6
205.15828	2.5
213.16354	2.4
215.17972	2.8
217.15860	7.1
217.19475	3.4
219.17322	2.1
229.19489	1.7
231.17418	5.3
233.15453	2.5
235.17082	1.7
238.18106	2.7
249.18623	2.4
257.22650	1.9
335.27081	2.1
369.31534	1.6
421.34656	12.1
439.35724	36.3
457.36740	100.0
475.26776	3.8
475.36472	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	475.3781
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.03942	1.7
55.01860	1.6
55.05512	7.9
57.03418	2.2
57.07057	2.6
65.03918	1.0
67.05499	11.2
69.03413	1.6
69.04272	0.9
69.07059	8.1
71.04987	10.3
79.05488	11.1
81.03413	8.8
81.07045	18.7
83.04971	4.1
83.08607	5.9
85.02911	1.9
85.06530	2.9
85.71771	1.0
91.05462	12.8
93.07030	18.7
95.04964	6.7
95.08597	23.4
96.08926	1.4
97.06520	3.9
97.10140	3.5
99.08078	5.5
105.07025	15.6
107.04934	3.5
107.08578	33.0
108.08901	2.5
109.06506	3.7
109.10143	19.3
110.10499	2.0
111.08037	2.8
117.07010	4.4
119.08573	15.4
120.08866	1.4
121.06473	2.2
121.10130	21.0
123.08044	2.5
123.11692	9.5
125.09615	10.7
127.07540	2.2
127.11205	1.9
129.06952	2.3
131.08543	7.4
133.10118	13.9
135.08026	7.8
135.11668	19.0
137.06017	1.3
137.09566	4.7
137.13240	1.9
139.11160	1.2
143.08620	1.9
143.10649	11.9
145.10098	13.9
146.10497	1.3
147.08022	1.4
147.11681	8.6
148.12018	1.6
149.09590	13.9
149.13260	6.8
151.11180	3.3
153.12762	1.9
157.10109	4.6
159.11665	8.6
161.05986	1.1
161.09605	1.7
161.13254	6.6
162.13565	0.9
163.11165	8.5
163.14827	3.5
165.09103	5.1
165.12724	1.0
169.10103	1.6
171.08076	1.3
171.11650	2.9
173.09602	1.7
173.13275	5.2
175.11211	4.1
175.14813	4.1
177.16402	2.1
181.12260	2.2
185.13289	2.3
187.14738	4.7
189.16341	5.7
191.14316	1.7
191.17918	13.0
193.12190	3.0
199.14871	2.3
201.16379	4.2
203.10587	1.0
203.17923	3.6
208.91585	1.1
210.15466	1.1
213.16379	2.9
215.17905	2.3
217.15865	5.3
217.19446	2.4
220.16885	1.5
223.77272	1.1
227.12773	11.9
229.15756	1.1
229.99590	1.1
231.17308	4.8
233.15340	1.8
235.16942	2.6
238.18013	1.4
249.18492	1.6
251.18019	1.1
253.19667	1.1
257.22614	1.5
259.20590	1.0
269.22647	1.1
299.23599	1.1
328.26581	1.1
341.28125	1.5
364.08420	1.0
369.31384	2.3
383.22238	3.6
401.23300	2.0
421.34464	9.8
439.35687	29.5
457.25876	4.7
457.36722	100.0
458.36847	3.8
475.26746	20.7
475.36530	15.4
476.27182	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.378
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.03931	1.1
55.01859	1.0
55.05500	4.6
57.03433	1.1
57.07073	1.5
59.04983	1.0
63.55392	0.8
65.03936	1.0
67.05482	7.8
68.05830	0.9
69.03407	2.6
69.07053	6.5
71.04980	7.9
79.05484	7.6
81.03400	2.9
81.07040	14.8
83.04967	1.8
83.08596	4.5
85.02894	2.1
85.06532	2.2
91.05468	7.1
93.07032	13.9
95.04942	4.5
95.08578	19.2
96.08934	1.6
97.02856	1.0
97.06533	2.2
97.10176	3.3
98.21458	1.9
99.08089	4.6
105.07012	10.1
107.04958	2.9
107.08573	24.7
108.08923	1.5
109.06502	2.7
109.10136	13.4
110.10555	0.9
111.08090	2.8
117.06995	1.8
119.03413	1.0
119.08568	12.3
121.06490	1.3
121.10133	19.6
123.04367	0.9
123.08028	2.9
123.11684	6.1
125.05965	1.1
125.09601	7.5
127.07561	2.4
127.11149	2.2
129.06952	1.3
131.08572	4.8
133.10104	10.2
134.10454	1.7
135.08057	4.1
135.11668	13.0
136.11996	1.4
137.05975	1.7
137.09628	3.0
137.13283	1.7
139.11156	1.9
141.06987	1.2
142.07762	0.9
143.08536	2.1
143.10645	11.7
145.06439	1.1
145.10097	10.6
147.04402	1.2
147.11639	8.5
149.09599	12.2
149.13235	4.3
151.11185	3.4
157.10109	3.8
159.11697	8.6
161.09621	1.7
161.13245	6.4
163.11147	3.4
163.14835	3.3
167.14304	1.0
171.11696	2.5
173.13243	3.0
175.11192	2.1
175.14764	3.6
177.16368	1.7
183.11661	1.5
185.13290	1.6
187.14810	4.1
189.16388	3.6
191.14230	1.1
191.17928	10.5
193.12219	1.0
193.15768	1.0
199.14662	2.0
201.16344	3.5
203.17903	3.0
207.17404	1.6
213.16319	2.8
215.17986	2.6
217.15906	5.3
217.19484	2.5
219.17346	1.3
225.16382	1.3
227.12799	2.4
231.17474	4.5
233.15367	1.9
235.16835	2.8
238.17862	1.8
249.18517	1.8
255.21005	1.3
306.11316	1.0
341.28366	1.6
363.25391	1.0
369.31650	0.9
383.22137	3.8
401.23154	1.0
421.34546	10.4
439.35648	27.5
440.35959	1.3
457.25934	3.6
457.36676	100.0
458.37134	6.0
475.16791	1.2
475.27063	13.0
475.36871	19.3
476.27026	1.7
481.83548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3777
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
55.05506	4.9
57.03407	1.1
57.07056	1.9
65.03897	0.8
67.05494	7.8
67.77073	0.7
67.87337	0.9
69.03409	1.1
69.07058	5.0
70.84768	2.7
71.04985	8.3
73.76549	0.8
75.47230	0.9
76.28740	0.9
79.05482	6.3
81.03410	6.2
81.07044	12.9
83.04954	1.1
83.08599	4.4
85.06532	1.8
91.05460	6.0
93.07035	14.8
95.04961	4.6
95.08585	15.4
97.06507	2.4
97.10107	1.6
99.08070	5.8
105.07008	7.4
107.04932	1.8
107.08576	25.6
109.06480	1.8
109.10133	12.4
111.08065	1.8
117.07007	1.6
119.08570	11.5
121.10133	17.2
123.08057	1.1
123.11683	6.5
125.09605	7.4
127.07513	1.3
127.11195	2.0
129.06976	1.5
131.08545	4.2
133.10110	10.8
135.08026	5.3
135.11671	15.5
137.09613	4.2
137.13210	1.6
139.11172	1.5
143.08536	2.0
143.10660	13.5
145.10106	10.4
147.11682	8.0
149.09608	11.1
149.13225	4.5
149.78749	0.8
151.11136	1.9
151.95470	0.8
157.10088	2.9
159.11655	5.6
161.09602	1.6
161.13255	5.0
163.11171	5.0
163.14830	4.1
165.12837	0.8
171.11617	2.3
173.13257	4.7
175.11195	1.2
175.14784	3.4
177.16258	1.1
179.14262	1.4
181.12181	1.0
183.11682	0.9
185.13211	2.3
187.14778	3.0
189.16368	4.2
191.14285	1.3
191.17926	9.8
193.12294	1.7
199.14751	2.8
201.16434	4.1
203.17903	3.1
205.15768	0.9
207.17439	1.5
209.11868	1.0
213.16370	1.1
215.17918	1.4
217.15857	4.3
217.19519	1.7
219.17702	1.1
227.12744	8.4
227.17827	1.3
229.19427	1.7
231.17421	3.9
233.15363	2.1
235.16879	2.0
249.18460	2.1
257.22623	1.1
307.39575	1.1
335.27042	1.5
351.30569	1.0
369.31659	1.5
421.34613	11.1
439.35721	26.5
440.35745	1.2
457.36719	100.0
458.37027	2.9
475.26849	8.7
475.36722	2.5
476.26971	1.2
477.80127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.2
53.03939	5.9
55.01842	3.9
55.05503	23.6
57.03424	5.9
57.07046	4.6
65.03915	3.8
67.05494	83.5
69.03399	2.5
69.07054	23.3
69.70534	9.5
70.70197	1.1
71.04969	5.2
73.06538	1.4
73.77878	1.0
77.03879	1.2
77.42326	1.1
79.05481	80.2
81.03397	8.3
81.07044	89.0
83.04576	1.2
83.04971	13.3
83.08609	14.6
85.06512	4.1
91.05467	59.7
93.07031	83.5
95.04385	1.9
95.04954	24.6
95.05539	1.0
95.08591	38.2
97.06514	10.1
97.10126	4.3
99.08044	3.1
105.04461	1.9
105.06333	2.1
105.07017	41.7
107.04926	6.8
107.08576	36.5
108.08113	1.3
109.06472	8.5
109.10137	7.8
111.08047	6.6
113.09595	1.3
115.05421	1.2
117.06996	13.3
119.08565	24.1
121.06461	3.5
121.10126	17.2
123.08037	5.7
123.11667	3.3
125.09599	2.0
127.07454	2.2
128.06183	3.0
129.06996	13.3
131.08549	11.9
133.06467	2.3
133.09171	1.3
133.10107	15.1
134.07016	1.1
135.08006	3.0
135.11652	8.8
137.09535	1.5
143.08536	7.3
145.10103	11.6
146.10367	1.1
147.08015	2.9
147.10579	2.0
147.11667	28.6
149.09631	1.9
149.13217	18.1
151.11131	2.3
155.08534	1.1
157.10091	2.3
159.11664	11.7
161.09538	3.2
161.13251	12.2
163.11121	1.7
163.14883	1.3
165.09039	1.2
169.10104	2.1
171.11664	25.5
173.09593	4.0
175.11154	1.7
175.14818	1.3
177.12643	4.5
187.14781	2.1
189.12715	9.0
191.18068	1.0
195.13780	7.4
199.14862	1.2
206.16202	1.3
207.11806	1.7
207.13776	31.9
220.16907	5.0
225.14786	4.5
238.17999	12.2
240.19431	1.4
269.17416	2.1
280.13953	1.2
281.17285	1.7
349.61603	1.1
355.18628	1.3
355.26019	1.4
365.24762	1.4
383.25674	2.1
457.29593	2.6
457.36545	2.1
475.30258	100.0
476.30621	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22068	1.1
51.28974	1.1
53.03941	6.0
55.01882	2.6
55.05505	23.6
57.03431	5.3
57.07055	3.2
61.73215	1.1
65.03922	6.5
67.05495	83.2
69.03419	1.7
69.07061	23.6
71.01332	1.1
71.04971	5.2
73.06545	1.3
74.09695	1.1
77.03874	1.8
78.40808	1.1
79.05483	81.8
81.03416	10.7
81.07044	94.4
82.07374	1.2
83.04510	1.0
83.04970	14.7
83.08609	14.0
85.02892	1.7
85.06539	6.4
88.19793	1.0
90.52776	1.2
91.05471	58.4
93.07030	87.3
94.07306	1.9
95.04391	1.9
95.04953	24.7
95.08595	39.6
96.08103	1.6
97.06518	10.7
97.10138	4.4
97.23256	1.0
98.20634	2.5
99.08086	5.5
99.33167	1.0
105.04512	1.6
105.06320	2.3
105.07019	40.6
107.04943	7.7
107.08579	38.1
109.06481	5.2
109.10139	10.3
111.04378	1.0
111.08062	6.7
114.96124	1.1
115.05437	1.7
117.07003	14.8
119.08568	26.5
121.06446	4.3
121.10134	22.8
123.08022	5.2
123.11658	3.9
125.09573	2.2
127.07489	1.8
128.06174	3.3
129.06987	14.5
131.08553	14.3
133.06465	2.1
133.10098	14.7
135.08043	2.9
135.11685	9.0
137.09637	1.3
139.11107	1.4
141.09029	1.6
143.08560	7.9
145.10109	11.0
147.08023	2.6
147.11671	31.9
149.13229	26.4
156.09277	1.3
157.10188	1.8
159.11678	10.5
161.09563	5.0
161.13231	10.9
163.11166	2.2
169.10071	1.8
171.11658	24.1
173.09543	1.4
173.13225	1.9
175.14841	1.4
177.12689	6.0
185.13202	2.1
187.14796	1.5
189.12740	10.1
189.16389	1.5
195.13853	6.1
199.99347	1.2
207.11786	1.5
207.13779	31.8
220.16946	5.0
225.14798	4.4
238.18045	9.3
269.17465	1.5
366.28595	1.3
383.25775	2.7
441.28674	1.5
457.29095	2.4
475.30307	100.0
476.30521	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.0
51.58449	0.8
53.03931	9.2
55.01866	4.5
55.05504	28.4
57.03435	6.5
57.07071	1.9
59.04993	1.4
62.54942	0.9
65.03938	4.6
67.05495	85.2
69.03404	2.7
69.07053	27.1
70.04401	6.0
71.04986	5.8
73.02889	1.1
73.06521	1.0
77.03926	1.1
79.05482	89.1
80.05818	1.3
81.03408	12.5
81.07044	98.8
82.07370	1.3
83.04971	16.0
83.08606	16.3
85.02867	1.2
85.06543	4.4
90.01905	0.9
91.05465	57.5
92.05785	1.5
93.07030	82.8
94.07369	1.3
95.04958	28.4
95.07984	2.2
95.08593	39.6
97.02874	1.3
97.06523	13.5
97.10154	4.0
99.04492	1.2
99.08082	3.5
103.05482	1.8
105.04522	2.0
105.07015	44.2
107.04944	7.2
107.08579	39.3
107.09320	1.4
108.08903	1.6
109.06503	7.3
109.10152	12.0
111.08062	7.4
111.11691	1.0
115.05428	2.0
117.06998	13.6
119.08562	26.8
121.06526	5.1
121.10123	20.4
121.10963	1.6
123.08031	6.5
123.11684	4.1
125.09620	2.3
127.07526	2.2
127.11158	1.1
128.06192	2.0
129.06982	15.2
131.08549	11.0
133.06429	1.3
133.10100	17.6
135.08044	3.0
135.11676	10.2
137.09634	1.8
139.11180	1.8
143.08551	7.2
145.10120	12.1
147.08037	3.9
147.11662	31.5
148.12019	1.4
149.09587	1.8
149.13245	26.3
149.14429	1.6
153.12691	1.1
156.09396	1.5
157.10089	3.2
159.11665	11.5
161.09645	4.6
161.13225	15.1
163.11177	2.5
163.14865	1.1
171.11670	24.6
171.13034	1.9
173.09503	1.4
173.13251	1.9
175.14847	1.0
177.12723	5.9
177.16335	1.2
185.13252	2.0
187.14821	2.3
189.12733	10.7
189.16367	2.2
191.17928	1.7
193.12239	0.9
195.13719	5.4
207.13771	33.7
207.17485	1.5
208.14117	1.4
220.16943	3.3
225.14732	6.1
227.12764	1.5
238.17972	6.1
251.16264	1.0
269.17252	0.9
281.17355	1.3
304.97208	0.9
337.25165	1.0
439.35724	2.8
457.30533	1.5
457.36673	6.5
475.30450	100.0
476.30771	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	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01857	1.7
55.05500	1.8
57.03421	3.0
57.07057	1.1
61.02913	2.7
64.38689	0.7
67.05499	4.4
69.03421	11.0
69.07057	3.2
70.06577	2.3
71.04984	30.5
71.79362	1.0
72.08134	2.4
73.02897	1.8
79.05493	4.6
79.05866	0.7
81.03408	12.6
81.07051	5.1
82.48122	0.8
83.04977	1.8
83.08608	2.5
84.08115	1.0
85.02894	15.5
85.06535	9.8
86.09676	2.7
87.00809	6.6
91.05465	3.5
93.07040	6.5
94.07361	2.5
95.04948	1.9
95.08603	4.8
97.02892	9.9
97.06519	1.5
99.04444	97.7
100.04727	1.1
103.05446	1.8
105.01842	3.4
105.06998	5.9
107.04940	1.1
107.08577	16.4
109.02870	8.1
109.06477	3.4
109.10145	6.4
109.64356	0.7
110.06046	1.4
111.08128	1.1
113.09632	4.2
114.09178	1.2
114.10266	1.8
116.07048	0.8
119.08546	2.4
121.06494	2.3
121.10130	9.5
122.10457	2.7
123.08050	11.9
123.11690	10.4
125.09608	4.9
127.03904	12.6
128.07043	1.3
131.08574	2.6
133.10106	12.1
135.08049	1.3
137.05936	2.8
137.13216	0.9
137.95602	1.0
139.11176	3.2
140.07062	0.9
141.09058	1.0
141.12726	1.7
145.02806	2.4
145.04922	4.1
145.10120	1.0
146.05997	0.8
146.08138	7.2
147.04448	1.2
147.08427	2.6
147.11655	3.2
149.05939	1.2
149.09654	5.5
149.13240	5.5
150.09927	3.8
151.03925	1.1
151.07489	1.2
151.11179	2.5
153.09177	0.9
159.02899	3.1
163.03833	2.0
165.09251	0.9
165.12709	3.9
167.10701	5.1
169.12190	7.4
173.13232	6.9
177.05473	4.5
183.13786	35.0
191.14299	5.2
209.15366	16.4
210.15829	1.1
227.16393	100.0
228.16829	2.6
231.04950	1.2
243.08167	0.8
263.06863	1.1
313.10770	3.8
414.32571	1.0
416.15250	1.5
475.16595	2.2
475.22647	1.6
475.32138	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	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.7
51.87241	0.9
53.03934	7.5
55.01867	4.7
55.05505	26.8
56.08308	0.9
57.03431	5.8
57.07063	3.9
59.04994	1.1
63.38237	0.9
65.03930	4.9
67.05496	86.2
69.03412	2.8
69.07058	30.0
70.97958	3.4
71.01339	0.9
71.04980	4.7
73.06546	2.0
77.03899	1.3
79.05482	91.0
80.05843	1.4
81.03408	14.4
81.07045	100.0
83.04967	17.4
83.08610	17.8
85.02898	1.4
85.06517	6.4
87.04410	1.1
91.05470	64.3
92.05785	1.3
92.61678	1.0
93.07031	91.0
94.07379	1.4
95.04388	1.7
95.04958	25.4
95.08596	43.2
97.02885	1.4
97.06521	12.0
97.10149	4.7
99.08076	3.6
103.05433	2.1
105.04507	2.8
105.07019	42.1
107.04948	7.4
107.08580	41.4
107.09321	1.9
109.06501	9.0
109.10148	12.5
111.08058	7.5
115.05415	1.0
117.07001	16.2
119.08566	27.9
121.06502	4.6
121.10130	21.5
122.09634	1.2
123.08054	7.8
123.11674	3.5
125.09618	2.6
127.07487	2.1
128.06209	3.3
129.06995	16.9
131.08562	13.4
133.06482	2.2
133.10106	17.7
135.08026	3.9
135.11671	9.8
137.09607	3.2
139.07544	1.2
139.11208	1.9
143.08540	8.5
145.10118	13.4
147.08018	3.0
147.11668	31.6
149.09598	2.6
149.13231	28.2
151.11235	1.8
155.08479	1.4
156.09254	1.7
157.10127	3.3
159.11662	13.1
161.09576	6.8
161.13239	14.4
163.11116	2.5
163.14867	1.2
169.10136	1.6
171.11668	25.2
173.09581	2.6
173.13234	2.1
175.11116	2.2
175.14766	1.9
177.12723	6.7
179.14296	1.5
187.14819	2.4
189.12724	9.5
189.16388	3.3
191.17899	2.0
193.12131	1.5
195.13812	7.9
199.14780	1.3
200.87325	1.1
203.17944	1.4
205.15752	1.2
207.07802	1.1
207.13786	34.1
207.17252	1.6
215.17899	1.3
220.16927	4.9
222.18358	1.3
225.14793	6.4
227.12636	1.9
238.17996	10.2
269.17606	1.7
281.17490	2.2
383.21857	1.2
411.32239	1.1
439.35486	3.8
457.37689	5.3
475.30432	95.9
476.30704	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	475.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
61.52188	0.3
63.02374	0.4
69.03411	0.9
70.06583	1.0
71.04973	0.4
71.78716	0.5
72.08160	0.5
81.03407	2.6
84.08119	0.3
85.02898	1.5
86.09695	2.5
89.03895	3.6
90.87209	0.3
91.05481	0.5
97.02895	0.3
99.04455	0.5
103.05451	0.4
109.02877	1.3
114.09148	0.8
116.07061	0.8
117.03364	12.3
127.03877	0.7
134.03609	0.9
135.04384	1.0
136.03938	0.4
137.05945	0.6
144.78433	0.3
145.02821	39.8
146.03136	0.4
149.05959	4.9
163.03903	0.8
177.05440	100.0
178.05804	1.3
181.08475	1.6
186.05484	0.7
195.06506	1.2
201.12230	0.4
224.08037	0.3
241.08960	0.3
247.12762	0.4
321.09708	3.1
339.10672	6.4
383.49606	0.3
475.17142	0.8
475.27515	0.4
475.34467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
53.10632	0.4
57.03426	0.4
69.03413	1.0
69.63255	1.0
69.63665	2.9
70.06566	0.8
70.12150	0.3
72.08131	0.6
72.35671	0.3
78.02589	0.4
80.47470	0.4
81.03403	2.3
83.04961	0.8
84.08063	0.4
85.02887	1.7
86.09669	1.4
89.03903	3.7
91.05479	1.1
95.04966	0.7
97.02867	1.3
98.21393	0.8
101.06013	1.0
106.04198	0.4
107.08607	0.6
109.02866	1.2
114.09134	0.9
117.03365	14.8
119.04929	1.1
127.03905	0.6
130.08635	0.5
134.03633	1.0
135.04378	1.4
136.03925	0.8
137.05952	0.8
145.02832	42.1
146.03107	0.8
147.04437	0.7
149.05968	5.7
151.03883	0.4
153.74277	0.4
162.05475	0.5
163.03842	1.0
175.03886	1.0
177.05449	100.0
178.05746	1.6
179.03346	0.7
186.05612	0.9
195.06470	1.1
202.45459	0.4
207.06528	2.3
251.13661	0.5
277.70432	0.4
321.09567	2.1
322.06622	0.4
339.10696	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	475.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	1.4
56.96555	15.2
57.03417	0.8
61.02906	1.0
68.13719	0.7
69.03420	2.0
70.06580	1.0
70.18747	3.7
70.90827	0.8
71.95259	0.9
73.02885	1.2
84.08144	1.2
84.95586	0.6
84.96021	3.9
85.02904	5.5
86.09689	0.6
91.03938	0.8
91.05464	2.0
97.02874	2.3
97.96796	1.9
98.97569	100.0
99.04450	1.0
99.08994	0.6
107.32523	0.7
110.97543	7.1
112.99084	1.2
114.09172	1.8
115.97804	1.4
116.98608	66.0
119.04916	3.0
121.06532	1.0
127.03958	1.2
128.98599	11.8
131.00169	2.4
134.99649	24.2
135.04332	0.8
137.05960	8.4
138.06253	0.9
140.00189	2.6
140.98709	0.9
143.00159	2.2
145.04922	1.1
146.99635	11.1
147.04381	6.2
149.01218	1.9
149.06001	0.8
153.00697	2.2
155.04640	1.5
158.01245	1.3
158.99640	19.2
160.09703	2.3
161.01218	3.9
161.02881	0.7
162.99236	1.1
163.03920	0.9
167.07068	3.1
170.05103	0.8
170.99655	2.5
177.00699	36.5
177.05518	1.3
177.60475	0.8
179.02303	0.8
179.07050	3.0
189.00688	3.0
193.01721	1.3
193.98895	1.6
195.01767	3.4
195.03337	1.5
197.01256	1.9
198.02013	0.7
199.02750	1.1
199.04520	0.6
200.02309	2.4
201.00684	1.9
201.99425	0.8
210.01759	0.8
211.02708	1.2
211.23909	0.7
211.99931	1.6
213.04333	4.2
219.01735	26.0
220.00330	0.7
223.02759	1.1
226.01462	4.6
231.05423	0.8
235.02754	38.6
237.02769	37.0
238.01421	6.7
238.03534	1.0
241.03801	9.0
242.03352	1.0
244.02493	2.5
244.07919	0.8
245.03450	0.9
251.07761	0.9
251.58168	1.0
253.03815	50.2
254.04204	1.6
255.03902	2.4
256.02408	4.3
259.04913	2.1
259.08423	1.6
260.01950	2.1
260.04327	1.4
265.03818	10.3
265.06439	1.0
269.03320	3.0
271.04849	22.7
272.05347	0.9
272.45105	0.7
276.05219	1.4
277.03769	11.5
279.03632	8.4
280.02756	1.0
283.04855	4.8
283.89053	0.7
289.05896	0.8
291.07684	1.4
295.04855	68.0
296.05292	2.6
297.04962	2.2
307.04898	1.6
309.08539	2.3
313.05890	24.5
318.06503	1.5
319.05145	0.8
325.06012	1.9
325.10092	1.0
336.07358	2.0
337.05661	4.2
340.10934	7.1
340.61301	1.6
349.11487	2.7
349.62213	1.0
351.09457	1.0
352.10083	0.7
355.06873	5.4
367.06973	1.1
379.06830	0.9
397.08124	3.0
415.09079	45.9
416.09448	2.5
433.10181	10.3
456.11938	0.9
475.11218	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	474.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
54.90068	0.6
55.05505	3.1
57.07044	0.7
67.05498	5.8
69.07050	2.8
69.71320	4.3
71.04587	0.6
79.05482	7.3
81.07037	7.2
82.07301	0.6
83.08597	3.4
84.21252	0.6
85.06536	3.9
91.05459	6.2
93.07030	30.5
94.77257	0.6
95.04968	1.8
95.08591	39.1
96.08938	0.8
96.87615	0.6
97.10136	1.0
105.07023	8.3
107.08578	24.0
109.06493	0.9
109.10142	13.3
110.10435	1.2
117.06971	0.8
119.08544	10.6
120.08918	0.9
121.10124	100.0
122.10472	1.8
123.08064	1.0
123.11696	3.8
123.63451	0.7
129.07030	1.1
131.08562	3.7
133.10094	8.9
135.11673	11.2
137.13246	1.8
143.08542	2.0
145.10117	6.0
146.10500	0.8
147.11668	4.7
148.12012	1.0
149.13217	4.5
150.13518	0.8
151.07469	0.8
152.30489	0.6
155.08546	1.1
157.10063	3.1
159.11620	3.5
160.12045	0.6
161.09630	1.5
161.13214	4.1
163.14799	5.9
164.15150	0.7
169.10088	1.8
171.11649	3.3
173.09485	0.8
173.13246	2.6
175.11238	1.4
175.14784	7.1
177.12735	1.2
177.16354	1.6
181.10054	0.8
183.11678	2.5
185.13208	4.7
187.11154	1.3
187.14787	3.7
188.15092	1.5
189.12738	1.9
189.16368	7.9
191.17940	2.0
192.18289	1.9
195.11646	0.9
197.13222	1.1
199.14812	2.3
201.12796	1.2
201.16397	2.1
202.16663	0.9
203.14130	0.8
203.17897	0.9
209.13362	1.2
211.14844	1.8
213.12682	0.7
213.16394	1.1
215.14273	1.8
215.18002	1.0
217.15837	1.0
223.14919	1.0
225.16356	2.4
227.14247	1.0
227.17949	1.8
229.15973	1.3
239.17914	2.8
241.15858	1.0
241.19525	1.0
243.17451	2.4
245.15303	0.8
246.62695	0.6
247.13141	0.8
248.17230	1.0
251.17950	1.3
253.19475	0.8
257.15292	0.7
257.19052	1.3
261.14789	1.4
269.15222	0.8
269.19150	1.3
271.16965	0.7
273.14844	1.6
273.18231	0.9
277.19672	0.8
285.18436	2.0
289.17810	1.4
297.18549	1.9
303.19464	1.6
315.19537	7.9
325.31042	0.7
329.21405	0.8
341.21201	0.9
347.27280	2.8
355.22461	1.4
365.28381	5.1
393.27707	7.3
411.28882	92.8
412.29123	2.7
428.32205	0.8
438.34335	1.4
456.31836	2.5
474.32007	0.9
482.54156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88567	0.5
55.05502	3.7
57.07048	0.8
67.05496	3.9
69.07047	3.7
71.04967	0.6
71.79734	0.6
79.05477	4.3
81.03398	1.0
81.07040	7.5
82.07366	0.6
83.04955	0.8
83.08604	5.4
85.06520	2.7
91.05456	5.1
92.66479	0.5
93.07030	7.3
94.07353	0.8
95.04935	1.5
95.08593	7.3
96.08940	0.9
97.06492	0.7
97.10149	1.5
99.08079	0.7
105.07015	6.8
106.07301	0.8
107.08574	9.1
109.06485	0.6
109.10143	5.3
117.06989	1.5
119.08562	14.4
120.08932	1.0
121.10120	11.0
122.10475	0.7
123.11671	3.1
129.06996	1.0
131.08563	3.6
133.09155	1.0
133.10109	14.0
134.10429	1.2
135.08006	0.6
135.11670	7.3
136.11995	1.0
137.13234	1.4
143.08498	2.2
145.10089	3.9
146.10460	0.7
147.11681	7.1
148.11977	1.0
149.13216	3.2
151.14725	1.0
157.10094	2.1
159.11636	3.9
161.13213	3.3
162.13570	0.6
163.11171	1.4
163.14793	5.6
164.15172	0.7
169.10095	1.4
171.11684	5.4
173.13217	2.7
174.13475	0.6
175.11191	3.3
175.14784	18.3
176.15172	1.1
177.12769	1.1
177.16331	5.4
178.16635	0.6
181.10103	0.6
183.11662	1.9
185.13249	2.8
187.14742	3.2
188.15057	0.7
189.12770	2.7
189.16354	17.8
190.16701	2.3
191.17969	1.0
195.11682	0.8
197.13200	1.0
199.14847	0.7
201.12601	0.6
201.16273	0.9
203.17986	3.6
204.18263	2.4
205.15822	1.2
206.16225	1.3
207.13757	1.4
207.17365	0.6
209.11658	1.0
211.14815	1.5
213.16357	0.7
215.14252	2.3
221.11607	1.1
223.13037	0.8
223.15015	1.1
225.16245	0.6
227.14247	2.1
229.12238	0.5
229.15950	0.7
239.17836	1.0
241.15730	0.9
247.17113	0.5
249.16364	0.6
250.18964	0.7
250.84581	0.5
251.18015	0.8
253.19489	0.6
261.14871	1.1
269.15323	1.1
269.18854	0.5
273.14853	3.0
277.19476	1.7
291.21030	1.4
295.20520	1.3
297.18332	0.8
309.22012	0.6
323.19980	0.6
337.21475	1.3
341.21051	2.2
347.27158	2.4
355.22519	1.0
365.28271	3.5
393.27856	4.7
410.34894	4.1
411.28870	100.0
412.29114	3.9
438.34848	1.1
456.35645	1.0
457.29663	0.8
474.37231	5.1
475.30655	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	474.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42150	0.3
56.05031	0.3
63.46135	0.3
69.03407	0.8
69.07050	0.4
70.06580	1.0
70.92078	0.6
70.92447	0.5
72.08138	0.4
74.06067	0.3
76.35814	0.3
83.06077	0.4
84.04489	0.4
84.08130	0.4
85.02895	0.9
86.09685	0.7
95.04939	0.4
95.06086	0.3
96.15860	0.3
97.02848	0.3
97.06532	0.5
104.04971	0.4
105.05771	0.5
106.06516	0.5
109.02859	0.5
110.06014	0.4
111.05545	3.4
114.09147	0.4
120.04449	2.8
123.05533	0.8
125.05873	0.8
126.06615	1.6
127.03915	0.6
127.04939	0.3
132.04434	21.5
134.05995	4.6
137.04691	1.7
137.05843	0.3
140.07118	0.4
147.04379	0.4
150.05457	0.4
151.06145	9.4
152.04552	0.4
158.06015	0.4
163.03906	0.5
165.07703	0.3
168.06540	0.5
177.04010	0.3
194.06696	4.4
195.07372	0.4
202.09705	2.0
214.09508	0.3
216.11256	0.8
230.09225	1.1
232.10892	0.5
242.09209	5.5
255.08658	0.5
257.10300	4.3
259.11905	9.8
260.12292	0.3
261.03677	0.3
284.11380	3.8
292.62372	0.3
302.12439	15.2
303.12701	0.3
312.10794	0.5
327.11844	3.5
345.13016	100.0
346.13309	2.3
456.16281	1.4
474.17242	20.1
475.16788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03941	1.0
55.05507	3.9
57.03429	1.1
57.07050	1.4
67.05494	4.4
69.03394	0.6
69.07065	5.4
70.02628	0.5
70.14038	2.6
71.04979	0.5
71.08632	0.6
79.05478	4.7
81.03411	0.6
81.06594	1.1
81.07044	12.8
83.04944	0.7
83.08610	2.8
85.06537	0.5
91.05457	5.2
93.07030	12.8
95.04958	1.1
95.08593	19.7
96.08916	0.5
97.06499	1.8
97.10161	1.8
98.21362	0.5
105.07018	9.0
107.08578	20.7
109.06507	1.7
109.10143	11.0
111.08059	1.4
111.11751	0.6
115.05472	0.6
117.06992	1.4
119.08573	19.1
121.06494	0.9
121.10118	11.8
123.08054	4.6
123.11691	5.6
125.09657	0.9
126.95776	0.5
131.08553	7.3
133.10110	15.9
135.08055	1.1
135.11665	16.2
137.09608	0.5
137.13242	1.6
139.11205	1.1
143.08569	1.9
144.09268	0.8
145.10106	10.9
147.11670	13.5
149.09593	0.9
149.13240	5.9
151.11148	1.6
155.08411	0.6
157.10133	3.0
159.11681	7.9
161.13242	7.3
163.07666	0.5
163.11203	0.6
163.14818	6.0
165.09099	0.6
165.12741	0.8
171.11665	2.5
173.13261	5.2
175.14798	7.2
177.12738	1.0
177.16383	3.6
179.10762	0.6
179.14268	0.8
185.13252	2.4
187.14810	9.4
189.16365	16.0
190.16624	0.6
191.14424	0.6
191.17885	3.2
197.13231	1.0
199.14819	2.7
201.16368	19.8
202.16711	1.0
203.14468	0.5
203.17938	9.7
205.15872	6.9
207.17427	14.4
211.14706	0.6
213.16388	3.5
215.17914	5.6
217.19566	1.7
219.17424	2.2
221.15384	1.0
221.18977	1.4
225.16339	0.8
227.17987	1.6
229.15916	0.7
229.19489	3.5
233.15221	0.8
235.16872	0.8
239.17929	0.5
240.18701	0.6
241.19527	1.8
243.21092	2.1
247.16908	7.7
249.18555	0.6
253.19583	0.7
255.21045	6.4
256.21628	0.6
257.22650	2.1
261.18658	0.8
267.21271	0.7
269.22678	3.3
270.23514	0.6
281.22397	0.8
287.20114	1.2
301.21674	2.5
303.23175	1.8
315.23212	2.5
331.26187	5.1
357.27811	3.8
391.33536	2.1
409.34592	5.6
427.35678	100.0
428.36057	5.5
437.34204	8.1
455.35287	5.7
473.36398	12.0
474.36395	0.7
493.29663	0.6
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	Sumaresinol
Peak:m/z	Relative Intensity
53.03921	3.2
55.05492	20.9
57.03403	4.3
57.07054	6.3
57.20055	3.2
67.05493	44.6
69.03391	3.4
69.07057	33.9
69.49300	17.9
69.49725	8.9
70.11133	2.8
71.04977	2.7
71.08582	2.9
79.05474	32.3
81.03403	23.3
81.07042	64.2
83.04958	4.2
83.08617	16.8
85.06535	4.5
88.43025	2.6
91.03896	2.9
91.05460	35.6
93.07033	63.3
94.07335	5.9
95.04957	14.0
95.08592	100.0
96.08910	7.1
97.06515	7.1
97.10126	7.0
99.08070	5.4
105.07013	64.0
106.07349	5.0
107.04906	2.8
107.08570	79.0
108.08903	6.3
109.06516	6.9
109.10132	70.8
110.10482	4.8
111.08063	8.9
115.05428	3.6
117.06989	9.8
119.08558	74.9
120.08861	8.5
121.06494	4.9
121.10120	67.5
122.10412	6.4
123.08018	5.7
123.11663	24.0
125.09586	7.4
129.06978	9.5
131.08546	30.6
132.08875	4.0
133.10114	53.8
134.10445	5.1
135.08038	6.2
135.11682	51.2
137.13208	7.7
139.07587	3.9
139.11273	3.5
143.08527	11.7
145.10114	53.1
146.10413	8.3
147.10576	3.0
147.11673	47.5
148.12010	5.0
149.09650	4.3
149.13208	23.9
151.11143	4.7
155.08490	3.7
155.65329	2.8
156.09335	2.8
157.10092	16.6
159.11676	38.4
160.12001	3.9
161.13254	32.8
163.14815	38.1
164.15221	4.2
169.10019	3.5
171.11635	12.4
172.12306	3.1
173.13211	27.2
175.14790	33.0
176.15073	5.4
177.00360	2.5
177.12749	3.9
177.16376	15.8
179.14268	6.4
183.11723	5.9
185.13188	13.3
187.14790	41.2
188.15057	9.1
189.09059	4.7
189.12677	3.4
189.16438	28.0
190.16684	6.6
191.14238	9.3
191.17928	80.1
192.18245	5.2
193.12151	5.6
193.15921	4.5
197.13191	3.6
199.14748	8.0
201.16374	36.6
202.16701	8.0
203.14371	4.6
203.17986	26.1
204.18179	3.0
205.15855	20.6
205.19507	3.3
206.16107	4.8
207.13727	5.9
207.17400	5.3
213.16287	9.0
215.17993	6.9
217.15825	8.0
217.19472	14.0
219.17432	32.2
220.17717	4.6
221.18947	6.3
222.19321	2.7
227.17863	4.0
229.15833	3.4
229.19444	10.7
231.21007	4.1
233.15230	6.8
235.16817	4.4
243.21037	3.5
245.18901	4.1
247.16902	15.5
247.20448	3.7
270.43869	3.3
271.27216	2.7
275.20059	3.9
369.27576	3.8
391.33566	6.0
397.34564	15.4
409.34576	56.5
413.33438	4.0
427.35666	24.8
428.35986	4.5
437.34195	35.9
438.34195	3.8
455.35291	74.8
456.35455	6.9
473.29034	17.8
473.35944	19.3
474.28674	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	473.3618
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03926	4.1
55.05501	21.9
56.54112	1.9
57.03430	3.3
57.07051	6.6
65.03918	3.0
66.17813	1.8
67.05175	3.1
67.05496	40.2
68.73904	1.9
69.03438	2.5
69.07057	58.9
71.04953	3.0
71.24400	3.3
71.24751	4.0
77.03893	2.4
79.05474	27.8
81.03391	6.0
81.07043	70.5
82.68925	1.9
83.04967	4.3
83.08611	16.1
85.06525	5.1
91.05453	27.6
93.07030	62.8
95.04963	7.5
95.07983	4.6
95.08593	75.4
97.06502	6.8
97.10161	12.0
99.08064	4.8
105.07012	57.7
107.08575	83.3
109.06505	6.8
109.10140	100.0
111.08083	9.8
111.11712	3.9
117.06981	6.5
119.08566	62.3
121.06487	3.8
121.10130	64.7
121.10963	4.5
123.08022	8.3
123.11688	41.3
125.09610	9.9
129.06982	5.6
131.08549	23.9
133.06483	2.0
133.10106	57.3
135.08026	9.1
135.11668	57.9
135.12617	4.1
137.09615	2.9
137.13228	15.6
139.07532	3.0
139.11168	3.7
143.08543	14.7
145.10101	35.0
147.08066	3.6
147.11662	36.4
149.09576	4.8
149.13226	19.4
151.07480	3.8
151.11189	3.0
151.14839	3.3
153.12772	2.2
155.08519	4.1
157.10117	14.8
159.11671	34.2
161.09599	6.9
161.13220	28.8
163.07536	5.1
163.11134	3.3
163.14821	20.9
165.09099	6.3
167.10680	2.8
169.10054	5.1
171.11649	14.6
173.13242	27.0
175.11211	4.3
175.14784	22.8
177.09056	6.0
177.12724	4.6
177.16341	8.8
179.10657	3.7
179.14287	4.1
183.11685	4.4
185.13239	13.7
187.14798	25.8
189.08966	2.6
189.12636	2.5
189.16313	15.8
191.10629	3.4
191.14357	2.8
191.17929	14.1
193.12157	5.6
197.13264	4.1
199.14888	11.2
201.16344	15.6
203.10736	2.9
203.14265	5.6
203.17902	13.4
205.12120	3.9
205.15881	5.3
207.13728	2.7
207.17448	5.2
209.13255	3.1
211.14761	4.4
213.16373	9.9
215.17944	5.8
217.12265	2.9
217.15904	3.0
217.19556	4.7
219.13777	4.8
219.17259	2.5
219.21017	2.5
221.15382	3.0
225.16295	3.2
227.18002	4.1
229.15840	4.4
229.19545	3.5
231.17400	4.2
233.15387	3.8
235.16849	2.3
237.16443	2.0
239.18004	2.7
241.15854	4.0
241.19357	4.2
243.21140	3.8
245.15298	6.4
247.16992	6.8
249.18452	2.5
255.21036	5.2
259.16888	3.7
267.21017	2.4
273.18372	3.5
281.22507	2.9
287.19962	2.6
297.21994	3.7
301.21503	2.1
309.25589	3.0
311.20197	2.5
311.23651	4.0
313.21545	5.1
313.24960	2.8
315.23132	5.5
323.27109	3.1
329.24698	7.0
341.24585	2.6
357.24057	7.1
357.28027	3.9
369.27872	22.3
373.27484	3.6
377.31863	2.4
381.27829	4.0
387.28531	5.4
391.28250	4.2
395.33002	5.6
397.30917	9.3
399.28778	2.9
405.29825	2.8
407.33096	4.2
409.34760	2.9
417.30188	3.5
419.32913	8.8
425.33957	6.9
437.33990	32.7
455.35123	45.1
456.35352	3.7
473.29190	5.7
473.36157	89.6
474.36487	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	473.3621
Annotation	Hispidone
Peak:m/z	Relative Intensity
53.03937	2.2
54.09700	1.8
55.05497	11.5
57.03432	2.4
57.07053	3.4
59.04970	2.2
59.68711	1.7
65.03918	2.2
67.05505	23.4
69.07060	21.5
71.04974	3.1
79.05486	19.5
81.03391	4.2
81.07048	42.3
83.08592	12.4
85.06532	3.5
87.12788	1.8
91.05471	21.8
93.07033	48.2
95.04956	6.9
95.08597	85.3
97.06532	2.7
97.10152	7.8
99.08131	1.9
103.05495	1.9
105.07015	35.4
107.08582	68.4
109.06541	4.3
109.10146	49.2
111.04440	2.4
111.08038	3.7
113.09627	2.9
117.06990	6.7
119.08567	68.2
121.06503	2.7
121.10129	100.0
123.08061	6.4
123.11700	24.8
125.09660	3.3
127.90993	1.8
129.07004	4.5
131.08553	25.5
133.06544	1.8
133.10118	48.9
133.11124	2.9
135.08032	5.1
135.10724	3.4
135.11674	34.1
137.09636	3.3
137.13190	9.1
139.07559	3.0
141.06950	1.7
143.08568	8.1
145.10114	40.7
147.08075	3.2
147.11674	34.4
149.09641	2.5
149.13249	23.7
151.07549	5.0
151.14810	5.1
153.09096	4.6
155.08551	2.1
157.10083	9.5
159.11687	32.1
161.09599	4.7
161.13252	23.4
163.07515	5.4
163.11143	2.3
163.14804	29.3
165.09087	2.7
165.12817	2.1
165.16351	3.4
169.10143	3.2
171.11705	10.5
172.12511	2.6
173.09679	4.5
173.13217	24.0
175.11212	4.3
175.14822	24.8
177.09138	6.3
177.12753	3.6
177.16348	13.3
179.14380	4.4
181.10107	1.8
183.11624	3.1
185.13252	8.8
187.11240	4.1
187.14795	49.8
188.15150	2.4
189.12715	4.4
189.16347	36.0
191.10661	3.6
191.17929	66.2
193.15894	4.5
197.13290	2.5
199.14784	10.1
201.12721	2.5
201.16356	55.3
201.18127	3.5
202.16641	2.4
203.17953	27.8
205.15875	3.7
205.19479	4.0
207.13824	2.6
207.17404	11.4
211.14833	3.5
213.16400	7.9
215.14278	4.3
215.17957	11.7
217.15829	3.6
217.19496	6.1
219.13947	2.8
219.17407	13.7
221.19051	3.0
225.16490	4.5
227.17981	4.4
229.15848	7.6
229.19502	8.0
230.19476	2.4
231.17303	2.4
233.15334	5.5
239.17853	3.1
241.19485	5.8
243.17438	3.2
243.21115	2.7
245.15260	3.5
247.16911	31.3
253.19685	2.5
259.16940	2.8
265.17847	4.2
269.19034	2.2
273.18579	2.3
275.20251	2.3
285.21985	1.9
315.19415	4.9
315.22980	2.1
339.30542	2.1
350.97791	1.8
363.30548	4.3
367.29898	2.5
381.31540	13.2
391.33646	5.9
393.27829	4.5
409.30832	12.2
409.35660	13.9
411.28882	55.8
427.31805	37.9
428.32275	3.3
437.34354	14.0
455.31375	23.8
455.35837	12.3
456.31494	2.7
473.36179	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	473.3617
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
55.05513	4.2
55.37748	1.7
63.98767	1.9
67.05477	5.6
68.58976	1.8
69.07052	6.0
72.30289	2.0
79.05484	5.8
81.07042	9.2
83.08585	4.2
91.05463	3.9
93.07036	10.3
95.08582	27.4
95.61830	1.8
97.70235	1.8
98.20538	3.7
103.52897	1.6
105.07029	15.6
107.08578	34.5
109.10123	16.0
111.08029	2.6
119.08573	21.1
120.34661	1.7
121.10122	25.9
123.08051	2.2
123.11684	3.6
129.06982	1.9
130.58978	2.0
131.08517	3.2
133.10094	17.9
135.11667	13.4
143.08517	1.7
145.10106	13.9
147.11667	16.2
149.13231	7.7
159.11684	8.0
161.13208	12.1
163.11156	18.0
163.14807	6.9
173.13319	5.2
175.14761	14.7
176.60269	2.2
177.16350	23.4
179.14360	3.8
187.14801	12.2
189.16350	48.1
191.17932	5.4
199.14839	2.5
201.16339	5.3
203.17931	37.7
205.15848	100.0
205.19345	4.7
207.17426	17.9
215.17909	4.4
221.18965	2.1
249.18494	10.1
295.24173	2.1
313.25153	8.2
391.33618	2.5
409.34641	38.6
427.35553	6.4
437.34128	16.7
455.34985	2.2
473.36282	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	473.3619
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
53.03925	2.4
55.05502	7.5
57.07051	3.2
62.49787	2.3
67.05489	9.2
68.82246	2.3
69.07038	12.3
70.01877	14.1
79.05470	6.6
81.07035	20.5
83.08596	5.2
91.05462	8.2
93.06490	2.8
93.07037	18.0
95.08589	42.4
97.10163	5.0
98.21336	4.0
105.07017	24.1
107.08584	39.1
108.08826	2.2
109.10143	23.6
119.08569	34.5
121.10123	29.9
123.11674	9.5
131.08562	6.8
133.10110	29.7
135.11696	15.0
137.13293	3.8
145.10065	15.4
147.11655	20.7
149.13220	18.9
159.11684	12.4
161.13228	17.7
163.11176	8.2
163.14780	15.5
173.13303	5.9
175.14803	18.3
177.16356	29.5
179.14299	3.2
187.14813	19.4
189.16344	49.4
191.17921	14.1
201.16341	11.9
203.17931	90.8
204.18346	3.3
205.15857	44.9
205.19501	8.6
207.17381	20.5
215.17973	7.2
217.19360	2.5
219.17432	6.0
223.16815	4.2
229.19507	3.2
235.16808	3.2
247.16966	3.3
249.18483	10.3
347.88315	2.9
391.33557	9.8
409.34604	100.0
409.39987	5.7
410.34796	5.1
411.36356	2.8
427.35556	7.8
437.34079	21.7
455.35175	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	473.3618
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
51.44503	1.9
55.05496	7.7
57.07051	3.0
67.05496	12.0
69.07055	13.9
69.57866	6.6
69.58292	11.4
79.05482	12.2
81.07042	28.5
83.08607	9.8
91.05451	10.1
93.07029	25.7
95.04966	1.9
95.08588	59.7
97.10162	3.7
98.21452	4.5
99.08071	3.4
105.07004	26.3
107.08573	51.0
109.06499	2.3
109.10143	35.9
111.08069	4.3
117.06973	3.2
119.08566	55.4
121.10128	46.5
123.08023	2.4
123.11704	11.6
131.08533	12.4
133.10107	53.5
135.08055	2.9
135.10696	3.6
135.11659	29.2
137.13258	2.6
138.54114	2.0
139.07483	1.9
143.08566	2.5
145.10101	24.0
147.11655	38.6
149.13220	16.7
153.09093	4.6
159.11638	18.1
161.13255	21.8
163.11169	5.7
163.14795	20.1
165.09071	2.2
167.10648	2.7
168.29260	2.0
171.11674	3.1
173.13248	8.9
175.14767	22.0
177.16362	27.4
179.14320	3.2
185.05348	2.4
187.14783	22.5
189.16347	80.0
190.16734	2.4
191.17932	42.3
199.14806	3.2
201.16351	26.2
203.17918	94.4
204.18195	3.4
205.15848	46.9
205.19484	7.1
207.17406	24.9
213.16380	7.0
215.17984	11.4
217.19472	8.3
219.17435	8.0
221.19028	2.9
227.17873	2.9
229.19504	5.7
231.17430	3.3
231.20993	4.0
235.16846	5.8
239.18398	2.4
249.18430	17.1
346.60516	2.1
347.23138	2.5
391.33600	9.9
409.34564	100.0
410.34882	5.9
427.35709	12.7
437.34210	20.4
438.34216	2.7
455.35236	23.4
473.36246	62.1
474.36682	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3619
Annotation	Kuguacin R
Peak:m/z	Relative Intensity
53.03925	2.7
55.05488	11.6
57.03418	2.2
57.07054	8.4
57.78083	1.8
59.04996	1.9
67.05495	20.2
69.07058	36.1
70.32070	7.1
71.04977	7.7
71.08585	1.9
79.05473	18.4
81.03403	2.0
81.06594	3.8
81.07043	47.0
83.08602	9.9
85.06521	2.3
89.04599	1.7
91.05479	19.0
93.06493	3.3
93.07026	36.1
95.04953	5.2
95.08592	51.6
96.08921	3.7
97.06551	3.4
97.10137	4.3
99.08077	2.1
105.07007	39.6
107.08573	56.9
109.06528	5.0
109.10139	47.5
111.08077	5.0
111.11691	5.3
117.07001	6.4
119.08562	48.4
121.06464	6.2
121.10125	41.6
123.08066	3.8
123.11686	24.1
125.09636	4.3
125.41931	2.4
127.11150	5.2
129.07013	3.6
131.08556	16.7
133.10110	42.9
134.10432	1.9
135.08025	3.4
135.11664	24.9
136.12013	3.0
137.09624	4.4
137.13274	5.6
142.07664	2.4
143.08549	9.5
144.09315	2.4
145.10103	25.9
147.08009	2.9
147.11656	31.2
149.02310	25.9
149.09593	2.8
149.13246	19.6
151.07390	2.0
151.11211	4.7
151.14851	2.9
153.09125	2.5
153.12654	2.0
157.10117	13.2
159.07976	2.6
159.11662	30.5
161.09650	4.1
161.13219	29.8
163.12953	1.7
163.14748	11.8
165.09055	4.5
165.54808	2.2
169.10129	4.0
171.11682	9.0
173.13274	22.2
175.07562	2.1
175.11180	2.7
175.14804	14.6
177.12701	5.3
177.16382	7.3
179.10684	3.0
183.11792	2.2
183.91887	1.9
185.13260	8.3
187.11258	1.9
187.14796	15.2
189.16347	11.0
191.14362	2.3
191.17828	4.5
197.13293	2.5
199.11220	2.5
199.14816	8.2
201.16365	9.9
203.17949	9.1
205.15855	8.9
207.17410	2.6
209.13228	2.4
211.14845	7.3
213.16339	5.0
215.14293	2.3
215.17979	5.3
217.15964	3.1
219.13951	2.2
223.14862	2.7
225.16418	2.6
227.17792	4.4
233.15300	3.3
233.19031	2.2
239.18019	2.4
243.20959	3.2
247.17116	4.2
249.18520	2.6
253.19443	3.3
271.16830	2.4
273.18445	2.8
275.20105	3.3
277.14365	9.9
283.20633	2.8
285.22134	2.3
297.22031	2.0
301.21451	3.6
303.23239	5.8
329.24655	9.2
333.24103	2.1
337.28799	3.2
353.28308	2.2
357.27856	4.1
369.27893	4.7
381.27966	2.6
385.30103	4.1
387.28922	5.9
395.33392	2.6
397.31061	14.9
405.11502	1.9
407.32922	2.2
409.34427	3.0
419.32965	5.8
425.33905	12.1
427.35620	2.1
437.34045	25.1
445.36633	4.8
455.35074	34.6
456.35626	3.5
473.36166	100.0
474.36606	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	473.3617
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05500	19.4
57.03421	4.0
57.07059	4.5
57.32252	2.1
57.52339	2.2
65.03903	3.2
67.05492	31.8
69.03381	3.7
69.07054	54.3
71.01500	5.2
71.01873	5.5
71.93377	2.3
79.05465	19.4
81.07040	66.6
83.04970	3.8
83.08625	11.8
91.05452	24.5
93.06424	2.9
93.07024	52.5
95.04944	6.1
95.08588	74.4
97.06470	6.3
97.10140	14.1
99.08065	3.0
103.93919	2.5
105.07008	45.0
105.07703	3.4
107.08572	92.1
107.78387	2.4
109.06507	9.5
109.10131	100.0
111.08064	7.6
111.11699	3.7
117.06995	6.8
119.08553	60.6
121.06485	3.5
121.10120	72.1
123.08058	3.9
123.11674	42.4
123.12498	3.5
125.09587	11.7
127.11147	4.4
128.99123	2.2
129.06990	4.5
131.08557	18.6
133.10100	44.9
135.08067	7.0
135.11659	63.3
137.13211	15.0
143.08499	11.7
145.10078	23.1
146.56053	2.3
147.08037	3.3
147.11667	31.8
149.09607	3.8
149.13219	16.9
151.07558	4.0
151.14938	2.4
155.08522	4.6
157.10124	15.1
157.11215	2.4
159.11665	32.7
161.09630	7.7
161.13237	19.9
163.07561	6.6
163.11134	3.9
163.14833	19.9
165.09091	3.8
171.11725	10.7
173.13254	20.3
175.11192	5.1
175.14818	18.0
177.09134	6.2
177.16371	10.6
179.10681	4.4
179.14415	3.3
181.10199	2.8
183.11693	6.7
185.09676	2.7
185.13281	14.0
187.14789	21.7
189.09056	4.0
189.12778	3.7
189.16365	14.8
191.10675	4.9
191.17886	14.2
195.11525	2.8
197.13208	5.5
199.14827	9.7
201.12740	3.0
201.16331	13.1
203.17920	15.1
205.15804	2.6
207.17419	4.9
211.14771	3.0
213.16367	5.5
215.17943	7.3
217.12274	3.5
217.19466	4.6
219.13832	4.1
225.16489	3.2
227.17940	6.5
229.15919	5.2
233.15393	4.9
245.15343	5.4
247.16904	6.9
253.19496	4.0
255.21021	3.1
259.17017	3.4
267.21143	3.3
269.22726	3.8
273.79340	3.0
295.20422	2.5
295.23978	3.1
299.20062	4.0
301.21820	4.4
303.78455	2.5
313.21814	3.2
315.23206	5.3
323.27475	3.4
351.26880	3.8
357.24203	6.7
369.27780	20.4
373.27493	3.4
387.28775	7.0
391.28415	4.8
395.33118	6.7
399.28909	3.7
419.33182	9.0
437.34189	28.7
455.35083	43.2
456.35556	2.8
469.48273	2.6
473.36255	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3616
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03925	2.2
55.01844	1.8
55.05499	18.8
57.03417	3.0
57.07054	7.1
65.03915	2.9
67.05491	36.9
69.03419	3.0
69.07052	50.3
71.04966	3.1
75.76073	2.0
77.03848	1.8
79.05483	23.4
81.07041	62.6
83.04983	4.7
83.08594	10.5
83.18073	1.7
85.06526	4.6
91.05457	24.5
93.07025	52.5
95.04945	4.7
95.08591	74.4
97.06507	5.9
97.10142	12.5
98.21447	4.9
105.07014	45.0
107.08571	86.5
109.06510	5.5
109.10136	100.0
111.08031	4.8
111.11694	2.9
117.06970	5.9
119.08562	55.2
121.06452	4.1
121.10122	60.7
121.44023	1.8
123.08053	5.4
123.11681	41.9
123.12505	3.4
125.09618	11.1
127.11212	2.9
128.98753	2.3
129.06935	3.8
131.08551	17.9
133.10107	47.3
135.08032	5.5
135.11661	59.8
137.09564	4.3
137.13240	13.0
139.07552	2.2
139.11171	3.4
142.07771	2.7
143.08496	10.6
143.10690	2.3
145.10074	24.0
147.08009	1.9
147.11644	26.4
149.09618	3.8
149.13232	19.5
151.07541	2.7
151.11131	2.6
151.14748	3.3
153.09016	3.0
155.08563	4.0
157.10098	13.5
158.10815	2.0
159.08075	2.4
159.11682	22.6
161.09575	2.5
161.13222	24.4
163.07500	5.4
163.11171	4.8
163.14792	18.3
165.09103	3.2
165.12675	2.2
169.10091	4.3
171.11658	12.4
173.13239	18.7
175.11159	3.2
175.14789	15.9
177.09149	5.5
177.16354	8.4
179.10645	6.0
179.14252	2.2
183.11670	6.8
185.13174	10.6
187.11076	2.7
187.14798	20.5
189.12764	2.7
189.16380	14.5
191.10599	3.1
191.14316	3.5
191.17921	9.8
193.19553	2.8
197.13266	4.4
199.14838	11.5
201.16336	13.1
203.14236	2.4
203.17853	10.9
205.15826	2.9
205.19524	2.8
207.17450	6.3
209.13289	2.7
211.14821	4.4
213.16394	6.7
215.17888	7.3
217.15848	3.6
217.19566	4.8
217.47595	1.9
219.13838	2.9
219.21074	1.9
221.15291	2.5
225.16273	2.9
227.17902	4.8
229.15892	4.6
231.13768	2.0
231.17345	3.0
233.15302	4.3
241.19438	2.7
243.14172	2.7
243.21124	2.9
245.15367	5.2
247.16908	3.3
255.20940	4.3
257.19080	2.8
275.20078	2.3
297.22147	2.5
309.25616	2.8
311.23346	2.5
313.21957	3.7
313.25171	2.7
315.23242	5.2
351.26733	3.9
357.24057	6.1
369.27887	22.0
373.27063	3.2
377.31848	2.3
381.27853	3.1
384.25156	2.4
387.28979	6.5
391.28357	7.0
395.33066	4.0
399.28964	2.8
409.34915	2.4
417.29953	2.7
419.32980	8.6
437.34039	22.6
438.34320	2.1
455.35135	44.3
473.36145	67.9
474.36560	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	473.3618
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03933	3.1
55.05497	18.7
57.07051	4.3
64.62317	2.1
65.03913	2.6
67.05499	37.8
67.47222	2.2
69.03413	3.5
69.07056	57.7
69.63998	2.4
69.71957	15.6
69.72372	4.7
71.04980	2.2
79.05483	15.6
81.06588	4.5
81.07043	56.6
83.04947	3.6
83.08618	12.1
91.05466	21.2
93.06493	3.9
93.07037	51.1
95.04951	8.5
95.08596	69.1
97.06516	6.3
97.10168	12.0
98.20706	5.4
99.08064	3.0
103.05487	3.0
105.07012	38.1
107.08577	75.3
109.06517	3.5
109.10145	100.0
111.08063	6.6
111.11763	4.0
113.09592	2.9
117.06982	4.0
119.08569	50.3
121.06461	3.7
121.10131	64.7
123.08096	7.2
123.11691	43.7
125.06032	3.4
125.09617	14.0
127.11125	2.8
129.07013	3.2
131.08560	17.2
133.10114	47.3
135.08078	4.7
135.11670	67.3
137.13239	12.6
139.07524	3.8
143.08537	11.1
145.10120	24.6
147.11671	29.3
149.09576	3.3
149.13225	22.9
151.07494	3.7
151.11151	3.9
154.01566	2.4
157.10104	11.5
159.07993	2.9
159.11658	28.2
161.09555	5.0
161.13254	21.3
163.07507	5.4
163.11093	3.7
163.14761	16.8
165.09166	2.8
169.10153	3.8
171.11647	11.5
173.13211	17.5
175.11168	4.5
175.14806	17.0
177.09109	5.8
177.12730	3.1
177.16336	8.5
179.10646	5.7
179.14311	4.2
185.13232	12.3
187.11324	3.7
187.14825	19.9
189.12708	3.2
189.16353	15.5
191.10585	4.5
191.14307	3.6
191.17923	15.7
193.12202	3.1
193.19501	6.0
195.11720	3.8
197.13197	4.4
199.14764	7.0
201.12740	2.5
201.16331	11.6
203.14195	3.3
203.17867	17.4
207.13853	3.7
209.13184	2.8
211.14799	5.0
212.49512	3.0
213.16479	5.8
215.14409	2.6
215.17964	4.5
217.15915	3.7
217.19606	3.8
219.13852	5.4
221.15375	2.3
227.17973	4.5
229.15927	3.1
229.19551	5.0
231.13593	3.9
233.15295	6.5
241.19647	3.9
243.17401	3.1
243.21101	5.8
245.15288	6.7
247.16933	6.4
253.19611	3.6
255.21150	5.2
267.20959	3.8
269.22723	4.0
273.18475	2.6
299.30942	2.6
313.21576	3.4
313.25119	4.1
315.23187	5.9
351.27017	3.1
355.26245	3.2
357.24280	7.1
369.27881	20.5
373.27423	3.2
375.65063	2.6
387.28958	7.1
391.28510	4.8
391.33524	3.1
395.33075	6.9
399.28537	3.5
401.32016	3.2
409.34647	2.9
417.30164	4.1
419.32910	7.9
425.33887	3.7
437.34036	24.4
455.35217	57.2
473.36224	84.1
474.36600	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	473.3618
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03930	3.1
55.05509	17.1
57.07048	4.0
67.05495	41.9
69.03397	2.0
69.07063	46.5
69.44917	14.5
69.45341	9.6
71.04966	4.9
79.05486	17.8
81.07046	56.9
83.04958	6.1
83.08612	12.0
85.06552	3.3
91.05464	19.7
93.07042	50.8
95.04971	4.6
95.08597	71.4
97.06512	6.2
97.10166	12.3
98.21393	3.8
103.05416	2.2
105.07017	39.2
107.08582	79.3
109.06487	7.1
109.10145	100.0
110.10439	2.5
111.08072	5.8
117.06982	5.1
117.33897	2.3
119.08566	57.5
121.06509	4.8
121.10133	60.7
123.08063	6.0
123.11690	44.1
124.11958	2.7
125.09618	12.2
127.11178	2.6
129.06995	3.4
131.08536	15.0
133.10114	40.3
135.08047	8.0
135.11684	58.6
137.09595	5.6
137.13234	13.9
139.11168	4.4
143.08533	9.1
145.10121	23.5
147.08018	2.9
147.11674	30.3
149.09589	4.5
149.13252	20.0
151.07516	4.5
151.11160	4.6
153.12737	3.1
157.10092	10.6
159.11707	28.5
161.09656	3.3
161.13240	24.1
163.07542	6.8
163.11232	3.3
163.14822	17.6
165.09178	2.8
165.12726	2.7
169.10104	6.2
171.11668	13.4
173.13278	17.5
175.14793	16.6
177.09119	5.7
177.12698	2.2
177.16388	8.0
179.10646	4.9
179.14322	4.6
183.11650	3.4
185.13284	9.4
187.14772	20.0
189.09125	3.5
189.12788	2.6
189.16304	12.8
191.17972	13.0
192.53926	2.2
197.13243	4.3
199.14822	8.4
201.12819	3.1
201.16406	12.9
201.54211	2.9
203.14305	3.7
203.17952	16.9
205.12219	3.2
209.13237	2.3
213.16386	9.1
215.14301	3.2
215.17998	6.2
217.12234	3.5
217.15866	4.2
217.19533	7.2
227.17906	4.1
229.15871	3.8
231.13757	2.8
231.17424	2.5
233.15448	5.7
241.19493	5.3
243.20927	2.5
245.15395	5.4
247.16913	7.2
255.21049	5.0
259.16913	4.0
277.19537	2.5
283.24432	2.5
297.22134	3.0
299.23819	2.6
311.23770	3.1
313.21545	3.6
315.23294	7.1
323.27530	2.4
345.74277	2.1
351.27026	2.6
357.24094	5.5
369.27682	18.9
381.28119	3.4
387.29120	4.4
391.28436	6.6
395.32993	7.0
405.30237	2.9
409.34375	2.9
417.30017	4.5
419.33139	9.3
425.33710	3.8
437.34201	30.2
455.35172	48.0
456.35730	4.3
473.36243	92.2
474.36459	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	473.3256
Annotation	Comnostin D
Peak:m/z	Relative Intensity
52.74004	2.0
55.01857	2.8
55.05490	13.7
56.73450	2.1
57.03438	2.5
57.07054	5.2
65.03919	3.7
67.05496	26.0
69.07060	31.1
70.40599	8.2
71.04987	4.8
79.05479	25.6
81.07044	54.5
82.68786	2.1
83.04977	3.0
83.08600	8.5
85.06536	7.1
88.83081	2.4
91.05463	36.3
93.07027	54.9
93.07580	4.8
95.04941	9.0
95.08587	69.7
97.06516	9.5
97.10143	6.9
99.08073	12.1
103.05420	3.1
105.04541	2.9
105.07012	92.0
107.04957	4.8
107.08572	86.0
109.06491	9.5
109.10141	62.0
111.08060	7.4
117.06982	10.5
119.08564	100.0
121.06478	5.9
121.10127	83.5
123.08054	11.8
123.11682	28.3
125.09619	4.5
127.07475	3.7
129.06949	4.7
130.63054	2.3
131.08546	51.4
133.10110	84.0
135.08031	13.8
135.11670	51.3
137.09599	8.5
137.13231	10.2
139.07489	2.9
142.07709	4.3
143.08548	16.8
143.83495	2.5
145.10098	58.2
145.11214	4.1
147.08046	2.8
147.11667	64.3
149.09572	10.8
149.13234	30.6
151.11151	6.2
155.08563	6.1
156.09297	5.7
157.10095	28.7
158.10893	5.2
159.11670	65.2
161.09666	5.2
161.13239	51.2
163.07533	4.0
163.11159	10.6
163.14816	20.5
165.09077	3.6
165.12746	10.5
169.10106	7.5
171.11665	24.7
173.09584	2.5
173.13229	66.6
175.11131	9.4
175.14790	59.9
175.16325	3.2
177.12735	12.3
177.16371	14.2
179.14285	8.5
181.10127	2.4
183.11615	11.4
185.13249	28.6
187.11211	4.2
187.14796	66.7
189.12706	8.8
189.16368	29.7
191.14281	14.5
191.17920	7.5
193.12181	6.0
193.15898	5.2
195.11594	3.2
197.13240	9.4
199.14780	20.9
201.16357	21.2
203.14270	13.9
203.17961	8.8
205.12250	3.3
205.15865	23.4
207.13841	2.5
207.17456	3.7
209.13271	3.0
211.14796	8.4
213.16315	19.5
215.10719	2.9
215.14276	6.7
215.17970	13.8
217.15807	9.5
219.13747	7.3
219.17392	4.9
221.15308	5.4
223.13158	5.4
223.14995	3.2
223.16861	21.6
225.16373	5.3
227.14217	2.5
227.17963	6.4
227.60365	2.4
229.15929	5.6
231.13896	3.0
231.17422	19.2
233.15372	9.2
233.18828	2.8
235.16946	6.8
237.16614	3.4
239.17975	3.0
241.19473	7.2
243.17442	2.5
245.15323	4.7
245.18944	7.3
247.16910	7.9
253.19499	5.3
255.21091	3.2
257.19135	3.7
265.19473	2.8
275.17859	2.5
283.20496	4.0
285.18338	2.7
293.22537	9.2
295.24091	3.0
311.23563	3.7
337.25168	2.5
339.23044	7.3
357.24200	11.8
363.30280	3.4
369.27670	6.2
373.28885	9.8
381.31778	4.1
387.28751	4.0
391.29898	74.1
409.30954	66.8
410.31351	2.7
419.29297	27.7
427.31906	6.0
437.29883	28.1
455.30960	10.6
455.35486	10.2
473.31235	31.1
473.36569	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	472.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.03420	0.2
65.03911	0.2
67.05141	0.2
67.05489	2.3
69.03417	1.1
69.66534	1.0
69.66949	0.3
70.06583	0.9
71.04978	0.2
72.08124	0.5
79.05481	0.4
81.03371	0.5
81.07026	0.4
83.04957	0.5
84.08118	0.2
85.02895	1.3
86.06059	0.2
86.09677	0.2
87.04474	0.2
91.05449	0.3
93.07029	0.5
94.06544	0.3
95.04939	0.3
95.07997	0.3
95.08598	5.2
96.08105	0.4
97.02839	0.5
97.78347	0.2
99.04454	0.3
103.05450	0.2
104.10655	0.2
105.07023	0.8
107.04936	0.3
108.05693	0.5
109.02831	0.3
112.07593	0.3
114.09152	9.0
121.82183	0.2
123.08054	9.0
127.03937	0.5
128.07037	0.2
130.08603	0.5
135.04324	0.2
136.03972	0.2
137.05957	0.4
138.05463	0.3
141.54305	0.2
145.02812	0.2
147.04413	0.4
151.07523	100.0
152.07907	1.0
158.08063	0.8
160.09673	22.2
161.02382	0.2
163.03905	0.7
165.09067	0.3
166.04976	0.6
177.05385	0.2
178.05081	0.2
181.04846	0.4
193.08606	0.2
206.04500	0.3
277.16690	0.3
310.16562	1.0
322.14972	1.4
472.21799	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	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05496	12.4
57.03432	4.0
57.07068	5.1
57.76083	1.7
61.02916	2.2
65.03931	2.6
67.05501	21.7
68.05840	1.8
69.03420	5.5
69.07058	21.3
71.04987	4.8
71.79593	3.5
72.32633	1.8
73.02883	2.2
79.05476	17.7
81.07047	50.2
83.04979	5.1
83.08607	12.1
85.02879	5.2
85.06546	2.3
91.05469	21.5
93.07027	38.1
95.04935	5.5
95.08592	67.3
97.02925	3.8
97.06528	3.3
97.10167	4.8
99.04420	2.4
99.08077	7.1
105.07011	61.6
107.08578	55.5
109.06506	9.6
109.10137	38.4
111.08048	6.7
115.05437	2.4
117.07012	16.1
118.39367	1.8
118.84071	2.1
119.08562	93.6
121.06490	4.2
121.10125	56.7
123.08059	15.0
123.11675	15.9
125.09650	3.3
129.07004	6.0
130.07787	4.3
131.08527	24.2
133.06520	1.9
133.10107	60.8
135.08047	6.4
135.11668	31.5
137.09592	8.0
137.13252	5.4
139.95573	2.0
142.07738	4.5
143.08510	10.2
144.09261	5.8
145.10100	100.0
147.08049	3.6
147.11658	61.6
149.09630	4.6
149.13245	15.3
151.07509	14.7
151.11186	2.2
153.09138	3.3
155.08536	3.6
156.09344	2.7
157.10081	18.4
158.10881	3.3
159.08064	2.4
159.11676	75.6
160.12221	2.6
161.09584	5.0
161.13243	50.9
163.11177	8.8
163.14769	16.9
165.12708	2.4
169.10136	3.9
171.11668	14.0
172.12358	2.7
173.13249	32.3
175.11198	6.6
175.14796	73.4
177.16354	19.2
179.14281	2.9
183.11653	4.6
185.13237	12.2
187.14793	42.1
189.12720	4.3
189.16351	90.3
191.14279	5.9
191.17929	14.2
193.15857	26.4
197.13263	4.0
199.14790	14.2
201.12891	2.2
201.16365	22.7
203.14325	4.0
203.17955	12.5
205.15878	8.7
207.17406	6.3
209.13281	2.0
211.14728	6.0
213.16328	16.5
215.17928	25.0
217.15842	46.2
217.19418	2.1
219.13950	4.5
219.17429	7.4
221.15318	3.7
225.16342	4.9
227.17853	6.4
229.15869	6.5
229.19490	4.3
231.17430	16.6
233.19000	5.5
235.16922	5.9
237.16289	3.9
239.17973	3.2
241.07352	3.1
241.19395	3.5
243.17522	3.6
243.20996	3.5
245.15228	2.5
245.18890	2.7
259.08542	3.5
259.20621	3.2
261.18451	12.4
267.20990	2.3
285.10025	4.6
287.20151	2.8
301.21588	44.0
315.10754	2.9
335.27139	8.8
351.30582	2.4
353.28409	7.1
361.28925	2.6
381.27817	27.0
389.31931	9.7
399.28815	4.5
407.29095	17.0
407.33804	32.3
425.29623	7.0
425.34692	42.3
435.32986	15.4
436.27643	3.7
453.34018	21.5
471.35431	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	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05496	14.0
55.05699	1.4
57.03416	2.4
57.07067	7.7
60.16165	1.7
62.46037	1.7
67.05502	17.8
69.03433	2.3
69.07049	19.4
71.04967	2.1
71.08612	1.8
71.19239	3.5
79.05477	16.6
81.03378	1.9
81.07037	41.7
81.07469	3.2
83.08601	11.5
85.06539	2.5
86.17572	2.1
86.49636	2.0
87.04476	4.1
91.05455	20.0
93.07031	39.0
93.07578	3.3
95.04969	4.3
95.07989	3.3
95.08595	63.3
95.09187	3.9
97.06533	5.2
97.10147	4.9
99.08089	13.1
105.07011	51.8
107.08574	69.6
109.06519	2.4
109.10142	34.6
111.08064	4.4
117.06997	8.2
119.08561	100.0
121.10124	61.0
123.08016	4.4
123.11694	13.9
124.74126	1.9
125.09620	3.8
128.06201	2.7
129.07057	2.5
130.85310	2.1
131.08531	32.8
131.24013	1.9
133.10110	66.1
135.08006	11.6
135.11671	31.8
137.09557	5.1
137.13277	3.7
141.06987	2.2
143.08575	7.4
144.09404	2.1
145.10098	48.0
145.11186	3.1
147.11662	57.2
149.09624	5.6
149.13222	21.8
149.14255	2.0
151.11176	3.8
155.08588	3.0
157.10100	12.8
158.10899	2.3
159.11667	34.5
159.12906	2.2
161.09631	5.1
161.13220	26.0
163.11145	12.4
163.14792	32.6
165.12776	2.2
169.10097	4.0
170.10895	2.7
171.11681	12.5
172.12459	4.3
173.13260	30.1
175.11191	5.5
175.14795	59.1
177.09270	2.1
177.12785	5.8
177.16350	46.1
179.14314	7.7
183.11754	3.4
185.13234	16.4
187.14793	52.0
189.12718	3.1
189.16360	56.5
191.14282	9.1
191.17896	9.0
193.15941	7.1
195.11726	1.8
195.13947	1.9
197.13266	5.3
199.14789	14.9
201.16345	57.7
203.14346	10.0
203.17944	32.0
204.64049	1.8
205.15843	41.2
205.19652	2.0
207.17302	9.0
209.13239	2.5
211.14818	2.1
213.16327	21.7
215.17944	23.9
217.15947	6.9
217.19444	3.9
219.17409	18.1
221.15402	2.7
221.19008	2.3
223.16846	18.9
225.16544	3.3
227.17903	10.5
229.15964	3.0
229.19510	3.7
231.17484	11.8
233.19046	5.6
235.16971	11.0
241.19466	4.6
243.17438	2.7
245.15471	3.0
245.18999	8.4
247.16949	4.4
249.18529	6.7
253.19359	2.6
255.21095	2.9
257.19080	2.0
261.18494	3.6
265.19504	2.2
267.21182	2.2
281.22617	2.5
283.06192	2.4
293.22598	2.7
295.24197	1.8
299.20099	2.4
309.25839	5.1
319.24292	3.2
333.25549	2.5
353.28571	4.7
355.26416	2.5
379.33789	4.0
389.31989	25.1
407.33044	80.9
408.33426	2.9
417.31561	2.7
425.34085	68.6
435.32559	71.1
436.32874	4.6
453.33722	28.0
461.16946	2.0
471.34695	68.9
477.73907	2.0
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
55.05501	21.6
57.07057	9.2
58.21482	2.6
67.05492	26.0
69.03396	4.1
69.07056	39.4
70.52821	8.8
71.08616	8.4
71.26109	2.7
77.03911	3.7
79.05486	21.5
81.07047	48.6
83.08609	31.6
85.06510	3.7
85.10164	2.7
91.05469	20.6
93.07024	48.3
95.04952	4.6
95.08594	85.1
97.06487	2.8
97.10146	10.7
98.20795	2.6
105.07012	48.4
107.08575	100.0
109.06518	5.7
109.10143	54.6
111.08064	6.2
111.11722	4.3
114.10281	2.3
114.11145	2.7
117.07011	7.4
119.08564	77.0
121.09241	5.1
121.10120	92.0
123.08035	8.5
123.11688	22.0
125.09605	9.8
129.06981	4.0
131.08534	30.2
133.10107	63.0
135.08041	7.2
135.11679	47.2
136.08363	2.6
137.09622	4.4
137.13237	13.1
139.07503	2.8
143.08540	10.4
143.10684	2.8
145.10107	44.8
146.10399	2.7
147.11671	33.3
149.09593	21.1
149.13240	25.7
151.11099	3.6
151.14821	26.0
153.09102	13.1
153.12743	5.9
155.08549	4.5
157.10132	12.4
159.11678	31.6
161.09558	3.7
161.13261	20.5
163.07489	3.8
163.11163	7.1
163.14796	61.4
165.16348	3.1
167.10674	11.0
169.10132	7.4
171.11641	14.8
173.13252	32.8
175.14809	49.5
177.09125	3.6
177.12679	5.5
177.16368	39.4
181.12187	7.3
183.11621	7.3
185.13266	12.6
187.14799	60.7
188.15198	4.5
189.12798	3.1
189.16379	57.3
191.10710	3.0
191.14232	4.2
191.17926	16.0
193.12256	3.2
193.15907	9.2
197.13263	4.2
199.14781	15.3
201.16345	37.5
202.16690	3.5
203.17964	25.6
205.15842	6.6
207.13654	3.4
207.17412	5.7
211.14832	5.7
213.16313	23.5
215.14368	2.6
215.17883	21.7
217.15855	4.2
217.19463	3.7
219.17401	10.1
221.15233	4.7
225.16252	4.4
227.17807	6.1
229.19559	3.8
231.17436	8.6
231.21103	2.8
233.15408	5.2
233.18983	15.1
235.16899	10.1
237.18422	6.4
239.17964	5.5
241.19362	5.8
243.20985	3.2
247.16774	4.9
255.21005	5.9
259.16882	45.5
261.18460	7.4
267.20950	3.2
273.18549	3.1
281.22549	6.7
283.24164	3.5
301.21509	4.2
309.25842	3.6
327.23123	8.6
329.24649	6.2
337.21704	4.2
339.23145	3.8
341.24683	8.8
343.22720	7.2
343.26511	4.6
355.26151	2.8
369.24100	4.6
379.25891	4.0
389.31985	12.0
391.33661	3.5
403.13644	2.7
407.28174	4.5
407.33096	55.0
409.34665	6.1
411.32547	42.6
425.33990	59.7
427.35684	7.5
435.32593	51.3
436.32611	3.2
453.33826	86.4
454.33810	4.2
471.35144	33.6
472.34912	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	471.3463
Annotation	Ilelatifol D
Peak:m/z	Relative Intensity
53.03930	2.0
55.05501	9.2
57.03423	1.9
57.07049	4.0
62.02435	1.1
66.47137	1.0
67.05491	20.3
69.03394	1.3
69.06724	1.9
69.07056	20.4
71.04980	5.7
78.14339	1.0
79.05478	18.3
81.07043	49.2
83.04959	6.2
83.08614	6.2
85.02898	2.9
85.06531	2.9
91.05465	19.5
93.07027	37.4
93.95568	1.0
95.04957	6.0
95.08594	45.5
97.06520	3.7
97.10146	2.8
103.05483	1.1
105.07012	36.3
105.07710	2.1
107.04925	1.5
107.08579	43.1
108.08919	1.5
109.06514	5.7
109.10138	34.5
111.08067	4.1
113.06059	1.7
115.05463	2.3
117.07005	7.2
119.08562	38.2
119.41053	1.3
121.06496	3.2
121.10121	38.2
123.08067	9.7
123.11687	46.4
125.09625	2.9
127.11280	1.5
128.06189	1.3
129.06993	3.4
130.07843	1.1
131.08533	15.7
133.10109	34.8
133.53363	1.0
135.08055	4.0
135.11674	23.0
137.09595	29.4
137.13251	6.7
139.07507	1.4
141.09042	1.4
142.07805	2.0
143.08546	10.4
143.10580	1.2
144.09348	2.0
145.06465	1.5
145.10115	22.8
147.08034	3.9
147.11667	23.8
149.09612	3.6
149.13242	15.6
151.07559	2.2
151.11186	3.0
155.08549	4.4
157.10089	10.4
159.08083	2.8
159.11679	21.4
159.12933	1.6
161.09636	3.6
161.13229	24.0
163.07498	2.7
163.11147	3.6
163.14793	6.8
165.09048	2.8
165.12758	1.6
169.10121	4.6
170.10875	1.7
171.11649	8.1
173.09624	2.4
173.13248	14.8
175.11208	2.1
175.14781	15.3
177.09100	2.0
177.12735	3.4
177.16393	6.5
179.10637	1.8
179.14267	1.5
181.10065	2.4
183.11681	6.6
185.13251	11.2
187.11156	2.1
187.14795	16.5
189.12781	3.3
189.16357	10.5
191.10677	4.6
191.14272	1.8
191.17944	6.1
195.11713	3.3
197.13237	4.1
199.11140	2.1
199.14813	5.5
201.12654	1.5
201.16344	14.5
203.14351	2.2
203.17957	4.8
205.12244	2.4
205.15851	4.5
206.16760	1.1
207.17430	3.5
207.44258	1.1
209.13216	2.3
211.14784	5.0
213.16373	5.7
215.14394	1.9
215.17889	4.8
217.15877	1.7
219.13858	2.2
219.17508	1.6
221.15430	2.0
223.14799	3.8
225.16414	3.6
227.14175	1.4
227.17929	2.9
229.12267	1.8
229.15739	1.6
229.19482	2.5
229.99290	1.7
231.13876	2.5
231.17429	1.2
233.15349	2.4
235.14774	1.2
235.16943	1.9
239.17879	2.5
241.19545	2.4
243.21072	1.9
245.15292	2.6
247.16895	18.7
253.19566	1.9
255.20998	2.0
257.18927	1.6
269.22586	1.1
269.68121	1.3
271.17017	2.9
273.18600	3.3
275.19919	1.5
283.24115	2.4
285.18527	1.7
285.21960	1.4
293.22595	3.2
299.19971	2.1
301.21744	2.5
311.20313	1.3
311.23679	4.1
313.21609	2.6
321.25784	1.2
327.23337	1.9
329.24567	1.3
357.24316	4.2
365.28406	4.6
367.26367	2.1
383.29434	13.8
385.27115	2.1
395.29413	6.0
401.30328	2.3
403.28336	1.6
407.33124	2.7
411.32657	1.4
415.28568	1.3
417.31537	4.0
423.32541	5.8
425.34131	3.0
435.32541	14.6
441.33856	1.5
453.33612	23.1
471.34656	100.0
472.35016	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	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.02040	1.4
53.03931	2.2
53.06485	1.4
55.05509	9.1
57.07059	4.4
61.27493	1.4
65.02649	1.4
67.05494	14.1
69.07056	18.6
69.83996	3.1
69.84397	9.4
71.04973	17.5
73.06532	1.7
79.05486	9.7
81.07047	30.0
83.08602	8.5
83.45159	2.1
85.06525	1.8
91.05455	9.9
93.07025	21.7
95.04982	3.7
95.08590	44.7
97.06490	2.4
97.10153	3.2
105.07005	30.1
107.08574	45.5
109.06503	3.5
109.10141	38.4
111.08066	2.5
111.11698	2.6
117.06985	5.5
119.08560	36.5
121.10130	40.8
123.08022	3.5
123.11680	16.9
125.09608	2.3
129.06976	2.3
131.08542	25.1
133.10117	28.4
134.98227	1.3
135.08018	2.7
135.11665	21.4
137.09625	3.4
137.13246	3.3
139.07503	1.5
141.12819	1.8
143.08528	7.6
145.10098	30.0
147.11658	20.9
149.09566	2.1
149.13271	13.2
151.11137	5.4
151.14809	5.3
153.09082	2.4
153.12778	1.7
155.08572	1.8
157.10066	7.2
159.11670	17.5
161.13220	16.9
163.14793	10.3
165.12733	3.1
167.14316	6.1
169.10196	2.7
171.11685	9.5
173.13255	19.6
175.14798	31.2
177.12781	2.8
177.16324	12.7
179.14304	3.0
181.15891	1.6
183.11557	1.9
185.13214	12.2
187.14786	100.0
188.15198	3.0
189.16377	30.1
191.10773	1.7
191.17899	6.1
193.15781	8.9
195.17407	3.7
199.14772	11.4
201.16351	44.0
203.17934	12.2
205.15865	6.4
207.17429	3.6
211.14665	2.1
213.16365	19.5
214.17126	2.6
215.14273	3.9
215.17908	21.7
217.19415	3.5
219.17357	3.6
219.58710	1.3
221.15355	3.4
225.16359	2.7
227.17924	5.3
229.19536	3.7
231.13510	1.6
231.17422	2.3
233.15312	20.6
233.19006	4.7
235.16943	2.8
237.18442	1.8
239.17738	1.7
241.19518	5.2
243.21133	4.1
247.16986	4.3
253.19376	1.5
255.21039	4.0
259.16864	3.2
261.18475	2.8
267.21176	1.9
269.22424	2.0
281.22659	2.6
309.25476	2.1
311.27322	8.5
335.26984	2.0
338.03476	1.4
351.26730	7.2
353.28333	5.8
355.26328	2.3
357.27817	4.9
363.30634	2.0
369.27905	13.8
381.27792	3.1
381.31677	18.1
383.33179	2.5
389.31970	4.0
399.28696	2.0
407.33078	22.7
409.30524	3.7
411.32495	8.9
425.28522	2.9
425.34106	40.5
427.32022	30.7
430.96304	1.5
435.32675	9.1
453.33557	23.9
471.34702	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03933	3.4
55.05500	14.9
57.07061	4.3
59.01125	2.4
59.48569	2.5
67.05488	14.9
69.07065	18.6
71.10732	2.3
71.24332	6.8
79.05486	11.5
81.07043	26.5
83.08604	10.7
86.74648	2.7
91.05473	24.5
93.07034	45.5
95.04937	4.6
95.08601	42.1
99.08088	9.8
105.07012	48.5
107.08577	60.9
109.10134	26.8
111.08085	3.6
117.07013	5.5
119.08569	98.4
121.10135	52.6
123.08060	6.1
123.11711	12.3
125.05737	2.7
125.09621	5.3
131.08554	49.9
133.10115	64.3
135.08089	4.0
135.11690	31.9
137.09590	3.9
143.08566	6.5
145.10109	52.3
147.11665	94.5
149.09581	3.8
149.13217	15.7
157.10109	10.6
159.11664	35.5
161.13266	20.3
163.11211	7.1
163.14815	19.2
171.11751	10.3
173.13223	21.2
175.11220	4.0
175.14836	30.5
177.16348	29.4
185.13231	8.6
187.14796	66.8
189.16374	47.4
190.13513	6.3
191.14362	4.3
191.17900	5.9
199.14804	11.9
201.16365	100.0
203.14296	5.3
203.17953	17.9
205.15865	72.0
205.17720	5.0
206.57799	2.8
207.17467	16.9
211.14607	3.3
213.16304	9.0
215.14429	3.1
215.17934	12.5
217.15884	5.7
217.19467	7.7
219.17477	31.7
227.17982	8.1
229.19493	5.7
231.17465	7.1
235.16940	7.9
241.19421	3.5
245.19028	8.2
247.16919	11.4
249.18527	3.6
269.22528	3.9
295.20847	2.8
309.25854	3.4
319.24237	4.0
389.31934	8.9
395.33105	3.4
407.33041	64.8
425.34109	53.7
426.34174	4.0
435.32538	10.7
441.33627	4.0
453.33673	25.0
471.34641	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	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05496	10.6
57.07061	5.5
67.05489	10.5
69.03428	2.7
69.07056	25.5
69.55930	15.8
71.04987	2.2
71.08619	5.1
79.05467	9.6
81.07041	21.1
83.08601	12.2
85.06521	2.7
91.05467	10.6
91.80011	1.6
93.07027	26.1
95.08592	33.7
97.06521	4.0
97.10159	6.2
98.70537	1.9
105.07014	28.2
105.45240	1.8
107.08578	58.5
109.06529	3.6
109.10144	20.6
111.08087	2.6
117.07024	4.6
119.08564	52.4
121.10125	59.9
123.08028	5.0
123.11689	9.4
125.09711	1.7
129.06961	2.6
130.07771	2.2
131.08539	15.6
133.10103	50.5
135.08076	3.2
135.11681	17.7
137.09608	2.5
137.13260	5.2
143.08557	5.2
145.10100	40.4
147.08049	3.5
147.11662	26.8
149.09590	5.5
149.13211	16.3
151.11073	2.2
151.14790	6.6
152.21976	1.7
153.09079	16.2
157.10066	7.4
159.11685	15.1
161.09531	1.7
161.13242	12.8
163.11188	4.6
163.14812	25.1
165.09094	5.1
165.16341	3.2
167.10675	14.6
169.10101	2.2
171.11726	4.8
173.13197	11.7
175.14798	32.5
177.16359	19.0
179.10622	6.0
181.12221	5.5
182.27232	1.7
184.77072	2.0
185.13322	5.4
187.14795	100.0
189.16354	72.5
191.17915	8.1
193.12230	2.8
199.14807	5.4
201.16354	48.6
203.17944	22.4
205.15936	5.5
205.19478	3.4
207.17326	2.1
209.13350	2.3
211.14822	2.6
213.16393	7.7
215.17871	11.5
217.15918	2.6
219.17508	9.9
221.15372	3.2
223.16948	6.8
225.16528	1.9
227.17949	3.8
229.19528	6.9
233.15324	4.2
233.18985	6.6
235.16899	15.2
237.18471	7.5
241.19609	4.6
243.21072	1.9
247.16910	7.3
249.18489	3.8
251.20100	7.3
255.21066	2.6
261.18521	4.9
269.22531	2.2
275.20047	2.0
287.20172	2.0
305.22681	2.6
337.25256	2.2
341.24573	5.0
355.26398	2.5
365.31985	7.1
389.31979	8.5
406.73505	1.8
407.33032	46.2
411.32315	4.6
425.34091	82.8
426.34259	3.5
435.32468	8.6
453.33539	8.0
471.34625	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	471.3462
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03943	1.4
55.05511	6.3
57.07059	2.4
67.05492	7.4
69.07064	9.9
70.23637	2.6
70.24052	3.9
79.05487	5.8
81.07042	15.5
83.04976	1.3
83.08611	4.7
85.06541	1.6
91.05466	11.4
93.07021	21.4
95.04959	1.5
95.08594	25.8
98.21385	1.1
99.08057	3.3
105.07010	32.1
107.08572	34.4
109.06510	2.0
109.10142	16.7
111.08027	1.7
117.07002	4.7
119.08563	49.9
120.33025	1.0
121.10132	31.1
123.08059	2.3
123.11692	6.6
129.06972	1.5
131.08545	23.7
133.10109	32.0
133.11130	1.7
135.08011	3.3
135.11667	22.6
137.09622	2.4
137.13196	2.2
138.92014	1.3
139.11224	1.4
143.08540	4.6
144.09315	2.7
145.10101	40.2
147.11658	41.7
149.09613	3.1
149.13239	9.3
151.11188	1.4
156.09410	1.1
157.10132	5.1
158.10883	2.6
159.11662	30.0
161.13239	15.9
163.11154	11.1
163.14798	8.6
169.10048	1.4
171.11653	6.5
172.12450	2.0
173.13223	18.7
175.14793	19.4
177.12759	4.1
177.16351	19.5
179.14325	1.4
183.11655	1.8
185.13226	8.0
186.11687	1.1
186.14098	1.5
187.14793	48.0
189.16357	32.3
191.14268	2.2
191.17908	3.1
195.13863	2.3
199.14838	6.7
201.16357	100.0
202.16658	1.6
203.14420	1.4
203.17931	13.4
205.15854	76.9
207.17389	14.6
211.14850	1.9
213.16359	6.0
215.14310	1.6
215.17833	5.5
217.15808	2.1
217.19618	1.5
219.17390	11.7
223.16882	15.9
227.17934	3.9
229.15961	1.5
229.19513	1.6
231.17514	2.4
233.18979	2.1
235.16928	1.2
245.18941	1.9
247.16890	13.5
253.19318	1.3
261.18497	1.6
279.21021	2.2
309.21677	1.4
335.27301	1.9
353.28250	3.2
375.82266	1.0
389.31921	6.3
407.33084	40.6
409.34485	1.3
425.34216	30.9
426.34293	1.1
435.32657	6.7
453.33655	7.8
465.41708	1.2
471.30127	2.9
471.35175	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	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.21459	0.8
55.05504	6.6
57.07059	1.6
67.05498	7.4
69.03386	0.7
69.06731	0.8
69.07056	10.2
69.79679	2.4
69.80109	2.6
71.04956	0.8
79.05487	6.2
81.07040	16.1
83.04944	1.4
83.08606	5.0
91.05467	7.8
93.06490	1.1
93.07028	14.8
95.04919	2.1
95.08593	33.3
97.06498	1.8
97.10122	2.5
99.08068	1.2
105.06320	1.1
105.07014	24.2
107.08572	28.1
109.06501	1.2
109.10141	16.0
111.08061	1.5
117.06962	1.9
119.08566	41.6
121.06507	1.2
121.10131	22.8
123.08037	2.1
123.11690	7.5
125.09605	1.7
129.06941	1.0
131.08546	5.9
133.10114	33.9
135.08032	3.7
135.11684	10.2
137.05942	0.6
137.09596	2.0
137.13229	1.3
139.07462	1.0
142.07759	0.6
142.68802	0.6
143.08498	2.3
145.10106	9.4
147.07985	1.2
147.11664	29.1
149.08508	0.7
149.09657	3.1
149.13229	10.9
151.11127	2.1
153.09087	8.3
156.09378	1.0
157.10144	5.2
158.10809	0.8
159.11661	8.5
161.09610	1.5
161.13249	13.6
163.11140	1.7
163.13483	0.9
163.14804	11.9
165.09137	1.4
165.12753	1.6
167.10675	4.6
169.10191	1.1
171.11690	3.9
173.13239	7.0
174.14003	1.1
175.11150	1.9
175.14806	25.9
177.12868	0.9
177.16368	22.9
179.10591	2.0
181.12206	0.9
183.11658	0.8
185.13205	2.9
187.13232	1.1
187.14795	12.9
189.16359	39.2
191.14302	2.6
191.17938	5.2
193.12239	1.7
193.15851	4.2
199.14809	2.5
201.12917	0.8
201.16379	7.0
203.14116	2.1
203.17924	100.0
203.93723	0.6
204.18253	1.6
205.15901	4.7
205.19460	5.8
207.13808	1.1
207.17459	3.5
209.13248	0.8
211.14841	1.3
213.16365	7.5
215.17917	7.2
217.15862	2.7
217.19446	1.8
219.17416	0.9
221.15372	9.6
221.18893	4.9
223.14807	1.4
223.16869	10.7
227.17900	2.4
229.15727	1.3
229.19464	1.4
231.17389	6.9
231.21030	1.3
233.19023	3.3
235.14777	1.0
235.16895	6.1
239.17952	0.7
241.19551	0.9
243.17398	0.9
247.16942	1.1
249.18460	32.3
253.19478	0.9
257.19153	0.8
259.20468	0.7
271.24411	0.7
299.09381	0.6
299.76624	0.7
299.92499	0.6
307.24158	1.2
353.24603	1.4
371.38782	0.7
379.33417	1.8
387.61661	0.6
389.31992	9.2
397.34622	0.9
398.36649	0.7
399.28998	1.3
407.33093	28.6
409.34698	1.1
417.32184	0.8
425.34122	21.9
435.32574	21.5
436.32895	1.3
443.34784	3.4
453.33868	5.4
460.62863	0.7
471.34674	40.2
472.35217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	Ilelatifol D
Peak:m/z	Relative Intensity
53.03930	2.3
55.05503	8.5
57.07068	2.1
59.04989	1.8
64.98048	1.3
67.05494	19.2
69.03422	1.9
69.07051	12.7
69.59185	4.4
69.59611	5.1
71.04985	7.6
76.34386	1.0
79.05474	15.3
81.03365	1.1
81.07042	45.8
83.04964	9.7
83.08598	3.5
85.06535	1.3
91.05463	15.3
93.07028	34.3
95.04947	4.9
95.07985	2.6
95.08593	43.3
97.06519	3.7
97.10148	1.6
97.66518	1.0
99.08067	1.5
103.05428	1.3
105.07009	32.4
107.04942	1.3
107.08576	42.3
109.06496	3.9
109.10140	30.7
111.08067	3.4
113.09638	2.1
117.06986	6.1
119.08559	35.1
119.09396	2.1
121.06516	2.7
121.10123	31.6
121.10963	2.2
123.08039	10.8
123.11681	34.3
125.06033	1.0
125.09625	2.9
127.11145	2.0
129.07018	2.8
130.07704	1.0
131.08559	13.5
133.06544	1.2
133.10112	27.5
135.08052	3.5
135.11679	21.3
137.09592	31.5
137.13246	4.0
139.11150	1.2
141.06944	1.1
141.09129	2.5
142.07756	1.1
143.08533	6.7
145.10086	19.9
147.08066	2.8
147.11662	19.9
149.05951	1.2
149.09607	3.3
149.13229	15.4
151.07506	1.4
151.11151	2.8
153.09065	1.2
153.12665	1.3
155.08592	2.1
155.10645	1.5
156.09332	1.8
157.10118	8.4
158.10893	1.1
159.08066	1.9
159.11664	20.8
161.09616	3.3
161.13231	23.5
163.11174	3.6
163.14827	7.4
169.10103	3.7
169.49939	1.0
170.10924	1.4
171.11661	6.9
173.09566	2.3
173.13237	14.0
175.11165	3.2
175.14784	9.6
177.09140	1.9
177.12772	3.4
177.16347	5.4
179.10739	2.7
179.14316	1.9
181.10109	1.5
183.11697	3.3
185.13232	7.5
187.11165	2.4
187.14784	14.4
189.12764	2.0
189.16338	11.3
191.10645	5.9
191.14264	2.4
191.17906	5.1
195.11696	3.2
197.13318	4.9
199.14781	5.8
201.16360	10.0
203.10597	1.9
203.14348	2.1
203.17941	5.1
203.20178	1.1
205.15843	2.3
207.17471	3.4
209.13327	2.9
211.14755	3.6
213.16388	6.0
215.14197	2.1
215.17949	3.3
217.12141	1.6
217.15810	1.7
217.19502	1.6
219.13824	2.0
219.17441	1.8
223.14809	2.3
225.12679	1.3
225.16371	2.7
227.14230	2.3
227.17796	2.4
229.15852	3.9
229.19473	1.8
231.13728	3.0
231.17375	1.6
233.15375	1.7
235.16803	1.1
237.16316	2.2
241.15868	1.7
241.19473	2.4
243.17358	1.7
243.21205	2.9
245.15392	4.2
247.16884	11.8
251.17990	1.2
253.19496	2.2
255.17351	1.2
255.21185	3.0
265.19730	1.4
267.20892	1.3
269.22644	1.5
273.18530	2.6
279.21011	1.3
283.20557	1.8
293.22610	1.9
301.21664	2.7
309.22333	1.4
311.23663	5.2
313.21536	2.4
315.22910	1.3
327.23068	1.2
329.21014	1.5
349.24823	1.6
357.24249	4.9
365.28326	8.9
367.26407	2.4
373.27402	5.8
383.29379	27.3
393.31503	1.3
395.29401	4.8
401.30469	2.7
403.28305	1.5
407.32974	1.7
411.32632	2.6
417.31494	3.3
423.32446	5.1
429.33496	1.9
435.32565	12.5
441.33655	1.9
453.33652	29.7
471.34659	100.0
472.35028	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	471.3462
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.74609	2.3
55.05499	19.7
57.07060	5.6
67.05486	16.4
69.07059	30.4
70.97157	2.7
70.97480	5.2
71.08616	7.4
79.05477	15.4
81.07040	39.0
83.08604	20.8
85.06528	2.5
91.05470	16.3
93.06493	3.6
93.07029	40.3
95.04932	3.6
95.08588	59.4
97.10152	9.0
105.07008	39.7
107.07896	4.7
107.08581	69.9
109.06503	2.8
109.10150	38.0
111.02402	2.3
111.08054	4.0
117.06983	8.0
119.08569	47.5
121.06503	6.6
121.10121	65.3
121.57201	2.5
123.08064	11.6
123.11702	12.8
131.08548	36.5
133.10124	33.0
135.08064	8.1
135.11668	28.0
135.66408	2.2
137.09486	3.0
137.13229	6.8
143.08527	8.7
145.10100	48.5
147.11652	25.8
149.09601	29.4
149.13240	17.9
151.11179	2.9
151.14798	18.2
153.09056	6.8
155.08545	2.4
157.10112	9.3
159.11652	31.8
161.13228	14.0
163.11096	5.9
163.14787	43.4
165.16377	3.3
167.10645	6.5
171.11642	8.4
173.13245	19.9
175.14790	43.2
177.12715	3.5
177.16344	24.3
181.12248	3.6
185.13202	11.9
187.14792	100.0
189.16351	27.3
191.17924	8.7
192.99338	2.3
193.15860	8.4
195.13745	3.1
197.13147	3.6
199.14764	10.7
201.16353	60.8
203.17877	14.0
205.15852	4.1
205.19504	3.1
207.17400	4.3
211.14903	2.8
211.16875	2.6
213.16330	16.9
215.17871	27.2
219.17369	11.8
221.18919	3.8
223.14774	3.3
225.16306	3.6
227.17981	3.3
229.19476	4.6
233.15344	6.3
233.18939	27.2
239.18013	4.2
241.19499	6.1
247.16919	3.9
255.21114	2.7
261.18439	3.7
271.17120	2.6
281.22607	10.3
293.22632	3.4
295.24112	3.4
327.23071	13.5
329.24649	3.7
341.24692	5.9
343.22629	6.8
351.22876	3.0
365.31985	6.1
389.31894	10.6
407.33051	83.7
408.33307	4.8
409.34839	12.2
411.32529	30.7
425.34100	42.1
435.32599	35.8
439.31635	4.4
445.58667	2.6
453.33572	29.3
461.42621	2.7
471.34872	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	471.3461
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05500	10.1
57.07069	3.8
67.05494	13.3
69.07059	19.6
70.22781	11.1
71.08588	2.5
79.05483	17.1
81.07047	35.7
83.04985	2.8
83.08601	8.6
91.05475	11.0
93.07024	27.0
95.08594	66.9
96.93085	2.4
97.06461	2.8
105.07008	41.3
107.08577	68.3
109.06535	2.7
109.10141	32.9
111.08089	4.0
117.07000	2.7
119.08565	63.6
121.10123	68.6
123.08027	3.8
123.11693	12.7
129.06931	3.4
131.08545	11.6
133.10110	55.2
135.08051	4.1
135.11668	25.5
137.13232	2.9
143.08571	6.7
145.10109	29.4
147.11659	44.9
149.09601	5.5
149.13235	30.0
149.61928	2.2
151.11176	3.0
153.09084	4.3
157.10088	13.0
159.11685	23.5
161.13245	24.9
163.11174	3.4
163.14801	30.6
171.11664	13.2
173.13228	17.9
175.14803	100.0
177.16362	64.4
177.17911	3.2
183.11942	2.1
185.13181	7.6
187.14804	37.4
189.16344	60.9
191.14267	6.9
191.17903	9.1
193.15881	10.0
197.02145	2.3
199.14793	7.4
201.16382	25.6
203.14291	5.7
203.17937	66.0
205.15831	18.1
205.19566	4.3
207.17360	5.8
213.16364	19.6
215.17941	26.7
217.15807	5.1
217.19551	3.7
219.17392	6.5
221.15378	8.0
223.16893	53.7
225.16478	2.5
227.17882	6.5
229.15820	7.1
229.19588	3.0
231.17371	22.1
233.18919	6.5
235.16924	9.0
239.17868	4.2
241.19502	2.4
245.15509	3.1
245.19089	2.5
247.16957	2.9
249.18457	11.4
269.18726	2.5
309.25754	9.1
335.27402	3.8
355.26260	21.4
379.26163	2.6
379.33679	2.8
383.29227	3.9
389.31961	21.1
397.34464	5.3
407.32999	53.0
425.33957	27.7
435.32544	90.8
436.32993	3.6
453.33585	32.8
466.99109	2.5
471.34653	57.3
472.34808	4.5
497.23889	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	471.3101
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.49297	2.7
53.03941	3.4
55.05500	18.2
56.96547	3.7
57.03399	4.0
57.07055	5.1
65.03915	3.2
67.05502	29.2
69.03416	5.7
69.07053	27.3
69.93853	2.4
71.04967	3.7
71.79045	3.0
79.05478	23.1
81.03376	3.5
81.07042	67.0
83.04946	8.9
83.08607	14.4
85.02903	4.6
85.06525	4.6
85.62988	2.5
91.05466	29.4
93.07034	47.1
95.04919	6.1
95.07983	5.5
95.08586	80.3
97.02859	3.9
97.06505	6.1
97.10183	6.1
99.08070	16.7
105.07018	71.6
107.08575	70.2
109.06475	8.8
109.10141	43.1
111.08050	4.4
113.05998	3.5
113.09592	3.0
117.07009	15.6
119.08563	95.7
121.06493	4.6
121.10125	77.7
123.08022	11.5
123.11680	22.7
125.09598	4.5
129.06967	10.3
130.07704	5.1
131.07614	4.1
131.08531	34.7
133.10106	71.2
135.08012	12.3
135.11673	32.4
137.09605	8.2
137.13231	7.7
142.07755	3.4
143.08574	17.1
144.09286	4.1
145.10106	100.0
147.08034	5.4
147.11667	65.1
149.09660	7.1
149.13200	21.1
151.07510	19.4
151.11110	4.7
155.08531	7.1
156.09299	5.3
157.10133	23.9
158.10857	5.6
159.11678	75.8
161.09587	6.8
161.13223	51.5
163.11168	12.6
163.14804	16.0
167.08571	3.3
169.10092	7.4
170.10925	4.5
171.11650	24.9
172.12318	4.2
173.09534	3.3
173.13222	36.3
175.11197	6.6
175.14798	79.2
177.12767	6.4
177.16383	22.1
179.14301	4.7
183.11678	10.6
185.13269	22.5
187.14798	64.8
189.12691	5.0
189.16356	84.6
191.14285	8.5
191.17938	12.7
193.15862	22.5
195.11603	4.4
197.13309	4.5
199.14838	17.0
201.16389	25.9
203.14261	10.3
203.17891	14.4
205.15889	13.8
207.17303	4.4
211.14796	10.3
213.16313	18.7
215.14334	3.7
215.17921	21.9
217.15857	38.3
219.13763	7.2
219.17387	7.3
221.15375	5.0
223.14798	5.6
223.16873	3.3
225.16380	8.7
227.17903	10.2
229.12215	3.1
229.15903	4.9
229.19528	6.4
231.13754	4.9
231.17400	13.2
233.15369	3.2
233.18828	5.8
235.16847	7.4
237.16342	4.9
239.17822	5.3
241.19452	4.8
243.17351	6.3
245.15280	4.7
253.19481	3.7
257.18988	3.3
259.08502	7.6
259.17017	3.3
261.18417	12.2
267.21017	3.9
271.16748	3.0
285.10156	3.2
301.21600	40.8
305.22681	3.7
307.24445	4.1
311.10361	3.1
315.10541	3.4
324.11441	6.7
335.27057	9.2
353.24445	6.1
353.28467	4.9
361.28769	11.1
369.27750	3.1
379.29965	6.7
381.27798	23.8
389.31891	7.6
399.28766	4.7
407.28757	66.2
407.33228	18.2
408.29785	5.0
425.29419	51.6
425.34442	23.9
435.32950	13.0
436.27667	3.5
451.73840	3.1
453.33377	19.3
463.22543	4.0
471.30185	9.9
471.34482	45.9
472.35306	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	471.31
Annotation	Camphoratin G
Peak:m/z	Relative Intensity
53.65067	1.6
55.05494	7.0
56.87648	1.3
57.03426	1.9
57.07059	3.6
58.47322	1.8
67.05237	1.4
67.05497	15.1
69.07053	8.1
70.41897	5.4
73.06545	4.7
76.16615	1.6
79.05486	8.4
81.07041	36.4
83.04176	1.5
83.04986	1.9
83.08601	5.0
83.88570	1.5
91.05455	13.8
93.07021	20.7
95.08597	24.5
97.10149	3.3
105.07013	27.5
107.08585	25.5
109.10138	14.0
117.07018	8.7
119.08567	23.0
121.10132	17.7
123.11699	12.7
125.09603	5.8
129.06970	6.6
131.08546	22.9
133.10115	19.7
135.11676	11.0
137.09616	2.2
137.13240	11.1
137.14128	1.7
139.11182	16.5
141.06981	2.7
142.07753	2.2
143.08549	11.5
145.10110	19.4
147.11652	18.4
149.13206	8.1
153.12698	2.1
155.08513	7.5
157.10114	14.9
159.11703	15.5
161.13239	20.1
163.14816	7.0
165.09142	1.9
167.08585	1.7
169.10089	9.7
171.11661	18.6
173.13237	17.2
175.07599	1.9
175.14783	8.3
177.16406	2.6
177.43961	1.6
179.14281	3.0
181.10068	6.4
183.11665	12.1
185.13205	14.9
187.14792	19.9
189.16379	5.7
191.14281	7.4
195.11617	8.2
197.13167	6.6
198.09679	2.0
199.14766	14.9
201.16394	9.4
205.15843	2.4
209.13219	6.7
211.14795	8.2
213.16327	14.3
215.14398	2.8
215.17957	16.6
217.12201	3.3
221.13156	2.7
223.14810	8.5
225.16356	7.7
227.17891	7.0
229.19510	2.2
231.13745	3.4
231.17392	2.3
233.15475	2.4
235.14697	2.5
237.16257	8.7
239.17853	8.8
241.19356	2.9
245.15288	2.8
251.17949	5.3
253.19502	2.6
255.21088	2.1
257.15286	2.0
259.16873	5.2
261.15887	1.9
261.18408	10.9
265.19431	4.6
267.21030	4.7
269.15466	2.7
271.16928	2.2
273.18317	2.8
277.14236	1.8
277.19550	3.5
279.20984	20.6
281.22604	9.1
283.16959	3.0
285.18347	2.5
293.22552	2.6
307.24179	4.6
319.22992	1.9
321.25751	1.7
323.20197	2.1
325.21561	13.9
327.23013	7.6
333.25772	12.1
335.27295	15.4
337.28836	7.1
339.23157	4.4
341.24799	5.7
353.24420	3.0
353.28503	2.7
371.22037	4.3
379.25958	13.4
379.30139	5.2
381.27798	25.6
381.31879	3.0
383.29480	16.1
383.39471	2.0
385.23599	5.0
397.27521	2.9
407.29092	5.4
425.30801	39.3
427.28186	5.8
427.32831	3.7
453.11832	2.1
453.29767	11.0
471.30954	100.0
472.31293	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	471.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66527	0.2
53.03944	0.2
55.01861	0.5
55.05513	0.9
57.03416	0.2
58.06593	5.8
67.05482	0.7
68.05000	0.3
69.03407	0.5
69.07063	1.5
70.06576	3.1
71.04985	0.2
71.07354	0.3
71.71177	0.4
72.08160	0.2
79.05476	0.6
81.03407	0.3
81.07050	1.5
83.04967	0.3
83.08643	0.3
84.08113	0.4
85.02914	1.0
85.03334	0.2
85.08912	1.5
86.09695	11.4
91.05461	0.8
93.07047	1.3
95.04951	0.4
95.08585	1.6
96.04470	0.2
97.02881	0.6
97.06493	0.2
97.10172	0.2
100.11243	100.0
101.11575	0.6
105.07008	0.8
107.08598	1.4
109.02894	0.2
109.06496	0.3
109.10130	1.0
110.06023	0.2
114.12789	0.3
117.07050	0.3
119.04912	0.3
119.08556	1.4
121.10109	1.2
122.05988	0.2
123.08046	3.8
123.11688	0.7
124.03937	1.2
127.03876	0.3
130.08638	0.3
131.04909	0.3
131.08539	0.4
133.10143	0.9
134.06001	3.6
135.06798	0.7
135.08026	0.3
135.11693	1.0
136.07571	0.5
137.05984	0.3
137.09612	0.6
143.08539	0.2
145.04965	0.2
145.10121	0.7
146.08047	0.5
147.04413	1.0
147.11673	0.7
149.13245	0.2
152.14421	0.2
157.10152	0.4
159.11700	0.5
160.66786	0.2
161.13228	0.6
163.03929	0.3
163.07468	0.2
163.11174	0.3
173.13358	0.2
174.09140	1.5
175.11188	0.2
175.14775	0.4
185.13243	0.2
186.09146	2.4
187.14890	0.3
189.16382	0.3
195.14987	0.3
201.16403	0.4
203.11775	2.0
203.14175	0.3
223.14355	0.3
231.11258	0.5
233.15189	0.3
238.13078	0.2
247.14307	0.2
249.16159	0.2
259.10770	0.2
268.57764	0.2
280.11743	0.2
316.20099	2.2
344.19656	9.6
345.19983	0.3
358.21158	0.4
386.20813	0.8
435.32721	0.4
441.33411	0.2
453.33896	0.5
471.29575	9.2
471.35025	3.2
472.30121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
64.41489	1.0
69.03410	2.0
70.06578	4.1
70.23378	4.7
70.86694	1.0
81.03394	1.7
82.67577	0.9
84.04482	1.7
84.08135	1.1
85.02887	1.4
86.09695	1.2
91.05482	3.0
95.39182	1.0
97.02889	1.8
98.21357	1.3
109.02940	1.7
110.05999	1.4
114.04803	1.2
114.09174	4.8
115.05453	2.1
118.06519	17.5
130.06520	1.9
132.08084	6.0
134.99658	1.1
135.04411	1.4
139.03941	1.3
142.06529	1.3
143.07248	2.0
144.08086	12.2
146.05992	58.7
147.04393	9.1
159.09134	6.9
160.07597	1.5
163.03865	3.1
170.06007	4.7
177.05507	1.3
181.04976	1.9
188.07048	100.0
189.03281	1.6
205.09703	48.2
262.98834	1.2
309.09763	1.3
393.75204	1.2
471.14352	1.6
471.21823	2.6
471.34375	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.02983	1.8
55.05502	8.6
60.05651	2.2
67.05470	0.6
69.03411	0.8
69.07034	0.8
69.69113	2.0
69.69550	1.6
70.06586	4.7
72.08144	18.7
79.05475	0.6
79.17258	0.4
81.03413	1.0
81.07022	0.6
82.02918	0.9
82.06538	0.9
83.08607	5.0
84.04490	0.6
84.08131	1.8
85.02883	1.2
85.06519	1.3
86.09692	2.1
89.03915	0.6
91.05451	1.2
93.39222	0.4
95.04958	1.8
97.02880	0.7
97.06593	0.9
97.07640	17.4
98.02400	2.9
98.06042	1.7
98.09689	0.6
98.17794	0.4
98.20645	0.5
99.00798	1.9
100.07605	1.9
100.11240	40.7
102.05541	0.6
105.07047	0.5
107.04946	2.1
110.02389	28.2
110.05979	0.7
111.04417	3.4
112.07600	0.9
114.09167	1.1
114.10279	10.8
115.08683	1.9
116.03468	0.6
117.03371	1.1
117.06926	0.5
117.13895	1.0
118.06570	0.5
119.04930	3.3
121.02837	0.6
123.04411	0.6
124.07608	0.7
126.09137	0.8
127.03947	0.6
127.08653	0.8
128.03418	2.1
128.07025	2.7
130.08633	1.3
131.04895	1.0
131.12880	2.8
137.05943	2.9
139.08609	1.0
140.07098	1.2
140.08157	0.8
144.05592	0.5
145.02849	2.7
145.06543	0.8
146.05994	1.3
146.08095	1.0
147.04387	17.4
147.11742	0.5
151.03888	1.6
151.07509	0.6
152.07048	32.8
152.07974	1.4
155.04898	0.6
162.06732	0.7
163.03870	3.0
164.04237	1.2
165.06917	0.6
166.09790	1.3
169.09770	2.0
170.08096	5.6
171.04446	0.9
173.05891	0.7
175.07561	1.1
177.05482	6.1
181.04950	2.0
181.08609	1.4
182.15379	10.3
182.16898	0.8
183.08057	1.3
187.07562	2.0
188.07059	1.7
191.14287	0.5
194.09224	21.3
197.01212	0.9
199.03870	2.3
199.07597	0.7
207.08116	1.7
209.16461	7.0
210.14865	13.5
211.07541	2.0
211.11826	0.7
212.10242	0.9
215.02306	0.6
217.13229	1.2
218.11652	1.2
221.06009	0.9
226.19180	1.1
227.17491	2.3
228.07855	1.3
228.15958	1.6
235.07364	2.2
238.06352	0.5
242.09341	3.6
243.10181	0.9
245.18622	1.5
253.08571	0.6
257.10141	0.5
260.13809	0.5
263.07022	0.5
267.10095	2.2
268.00943	0.6
268.11072	1.0
276.62268	3.0
277.12445	0.9
277.16580	3.0
277.66660	0.7
281.07910	3.5
285.13495	3.4
285.63788	1.7
293.22455	0.6
295.09735	1.5
309.08939	0.8
322.10455	0.7
323.04813	0.6
323.09152	3.9
335.12784	0.5
393.18134	0.8
394.16809	0.8
411.05679	0.5
411.18555	0.6
435.33661	0.6
436.18658	1.6
453.34088	2.5
454.19791	0.6
471.22369	100.0
471.35345	55.5
472.22836	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	471.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86038	0.4
55.01851	0.6
55.05496	1.0
56.05020	0.4
57.03429	0.4
57.19295	0.4
60.05622	0.7
67.05474	0.7
69.03410	0.8
70.06590	4.0
70.27969	2.0
71.01347	0.4
71.04960	0.5
72.08152	4.1
81.03393	1.5
81.07023	1.0
83.04971	0.4
84.04469	1.0
84.08125	1.8
85.02877	1.8
85.06508	0.5
86.09690	5.2
87.00772	0.5
87.10038	0.4
91.05491	1.9
93.07023	0.5
95.04915	0.4
95.08560	0.5
96.09237	0.4
97.02885	2.2
99.04419	0.6
99.05360	0.4
99.34206	0.4
100.11208	0.6
109.02847	1.2
111.08095	0.5
114.09184	0.5
114.10259	2.9
115.05431	1.7
116.07040	0.7
117.05737	0.9
117.06984	1.8
118.06528	28.1
118.51843	0.4
119.04921	0.5
119.08600	0.4
122.03642	0.6
127.03917	0.7
129.07008	0.5
129.10208	0.7
130.06535	1.3
130.08635	1.6
131.12889	1.0
132.08066	1.5
132.10156	0.9
133.06108	0.9
137.05963	21.5
140.04950	0.5
142.06532	2.7
143.07289	3.8
144.04402	0.6
144.08070	16.4
146.05991	69.1
147.04387	1.3
147.06256	0.5
152.76163	0.4
154.06465	0.8
156.08057	4.0
158.05956	0.9
158.09650	1.8
160.07576	5.5
163.03825	0.7
167.07210	1.2
168.08116	2.4
170.06006	10.8
171.04356	0.5
172.07484	0.7
177.05437	1.6
180.08257	0.4
182.06001	0.9
183.06802	1.8
184.07556	5.6
186.05519	0.7
186.09181	1.3
188.07048	100.0
189.07373	1.1
190.99648	0.4
193.04982	3.0
194.06004	0.6
196.07588	0.7
198.09055	0.5
200.07063	1.2
201.05505	0.5
202.08673	1.3
205.12105	0.5
208.07578	1.0
210.14818	0.5
212.07033	2.3
222.09108	0.6
224.07004	0.6
226.08630	0.8
229.15521	0.7
230.08098	33.1
232.07657	0.5
234.09270	0.5
235.07532	0.7
236.07152	0.8
242.08081	3.3
243.13437	0.5
250.08615	0.6
254.08118	3.7
268.09677	1.4
272.09262	1.0
277.08597	1.5
278.08282	1.2
292.08139	0.6
295.09662	1.1
296.09146	3.0
304.08096	0.5
305.08115	1.8
314.10376	0.9
323.09097	2.0
332.11392	0.9
344.07904	0.5
358.09204	0.5
382.09222	0.9
400.10193	6.3
418.11264	5.5
430.46237	0.4
436.12378	5.5
471.22488	19.7
476.04855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
55.05487	2.0
56.05004	0.7
63.02344	1.0
67.05469	0.5
68.05019	0.8
69.03429	3.7
69.94008	0.6
70.06581	17.4
71.04967	1.1
71.78826	1.0
72.08141	6.8
74.06075	6.3
79.05472	1.7
81.03401	6.2
81.07024	0.9
82.06554	1.5
83.04959	1.4
83.07339	1.4
84.04490	1.5
84.08126	4.7
85.02898	4.4
85.06508	1.1
86.06053	1.1
86.09655	1.1
89.03901	9.6
91.05408	1.1
94.06518	0.7
95.04935	1.4
96.08115	19.8
97.02849	2.3
98.06038	2.9
98.09676	5.4
99.04427	1.6
100.07548	0.6
100.11218	1.9
103.05451	0.7
107.04908	2.8
107.08582	0.7
109.02857	3.8
109.10153	0.6
110.02377	0.9
110.05978	2.2
112.07565	1.5
114.09149	19.4
114.10284	1.5
116.07101	3.4
117.03357	24.0
119.04882	1.4
120.06557	1.0
122.02671	0.7
126.05458	0.7
127.03875	2.2
128.07062	4.1
130.08632	5.9
131.08560	0.7
132.10179	61.4
133.10532	0.8
135.04395	15.3
136.03893	0.9
137.05940	0.8
138.05501	1.0
144.06543	3.2
145.02826	66.6
146.03139	1.6
146.08093	44.5
147.04338	6.9
149.05969	6.1
151.03897	0.8
162.07686	0.9
163.03882	73.3
164.04202	2.4
169.13358	4.4
174.11275	0.7
177.05441	100.0
178.05705	2.1
178.08620	0.7
181.04889	0.7
186.05437	1.2
187.07529	2.0
195.06465	0.9
197.12798	4.7
210.14760	1.3
270.09720	1.0
277.16833	1.0
283.74576	0.6
292.13943	1.0
294.15417	2.7
296.19662	2.2
308.13333	11.8
321.09625	3.3
325.09088	1.0
339.10736	2.2
371.22855	1.5
395.26331	1.3
426.61707	0.6
434.16354	1.0
452.18909	0.9
470.20184	78.0
470.30115	2.2
470.36960	4.1
471.22131	6.7
489.17560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.2
52.53684	0.2
53.03935	0.5
59.98299	0.2
61.02905	0.3
61.37616	0.2
63.02361	0.4
69.03416	0.8
70.06576	1.0
70.56128	0.6
72.08140	0.2
79.05482	1.3
81.03411	0.8
82.06561	0.3
85.02898	1.6
89.03905	7.1
95.04961	0.3
97.02874	0.9
98.06035	1.7
104.07124	0.4
107.04941	2.4
109.02850	0.4
110.06039	2.6
114.09154	0.6
117.03363	9.7
119.04915	0.3
127.03929	0.4
128.07063	4.2
130.36717	0.2
132.10194	0.6
135.04395	21.1
136.04646	0.3
136.69797	0.2
145.02831	14.7
146.08098	62.3
147.08459	0.5
163.03877	100.0
164.04214	0.9
165.22665	0.2
177.05458	0.9
181.04929	0.5
186.05530	0.3
307.08145	1.2
308.13373	15.7
309.13501	0.2
325.09280	1.1
372.22269	0.3
426.51306	0.2
470.16254	0.8
470.21097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02865	1.8
55.05495	8.3
67.05493	11.7
69.07051	12.4
70.96265	2.1
71.23516	4.5
79.05488	11.1
81.07040	29.6
83.04942	3.3
83.08578	4.9
83.64594	1.8
89.46262	2.0
91.05451	13.2
93.06490	3.1
93.07025	36.7
95.04964	4.0
95.08587	46.7
97.06512	6.2
97.10162	3.0
99.08073	4.8
101.05996	4.4
105.07003	40.7
107.08575	59.3
109.06489	7.3
109.10140	29.1
111.08025	3.3
117.06992	6.5
119.08564	76.8
120.08861	2.3
121.06499	4.0
121.10129	45.4
123.08031	5.4
123.11677	10.4
125.09565	5.4
129.07036	2.1
131.08536	23.7
133.10110	40.8
135.08037	22.7
135.11670	42.0
137.09624	4.5
137.13200	5.4
142.07790	2.0
143.08542	6.6
145.08961	2.9
145.10094	38.8
147.07980	3.1
147.11661	37.0
149.09581	8.6
149.13229	20.3
151.07480	3.1
151.11176	3.5
151.14795	2.3
153.09084	4.7
155.08582	2.2
157.10107	12.9
158.10815	2.3
159.11653	34.1
161.09561	6.7
161.13251	22.1
163.11115	11.1
163.14804	14.9
165.09093	3.6
169.10037	3.4
171.11601	10.6
173.13217	31.2
175.11113	8.2
175.14787	30.2
177.12746	4.4
177.16335	14.3
179.10616	5.5
179.14346	2.5
183.11664	8.2
185.13237	12.9
187.11179	3.2
187.14795	49.8
188.15280	2.3
189.12759	3.9
189.16354	26.7
191.14307	14.6
191.17929	4.8
193.12192	6.2
197.13245	3.4
199.14767	12.4
201.12767	2.9
201.14502	3.0
201.16339	47.3
201.18123	3.0
203.14346	10.5
203.17952	8.0
205.15846	9.5
211.14856	3.4
213.16383	8.3
215.14447	2.3
215.17899	7.3
217.15800	6.6
219.17422	4.3
221.15388	17.6
223.14886	2.8
223.16901	6.2
227.17889	6.2
229.15866	9.5
229.19501	4.9
231.17387	8.0
233.15300	3.1
235.16890	7.5
243.20897	2.5
247.16907	7.9
252.60367	2.1
253.19536	2.4
257.18738	2.2
261.18420	2.6
269.18784	2.3
269.22522	2.5
279.66095	2.2
327.22992	2.5
329.24808	3.8
363.30304	2.3
372.52258	2.1
387.30719	3.7
405.31461	31.9
423.32529	100.0
424.32867	4.4
425.34024	4.3
433.30991	7.0
451.32019	16.5
469.33234	27.6
470.33441	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	469.3308
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03933	1.3
55.05499	7.4
57.07059	4.4
67.05490	9.8
69.03425	1.5
69.07065	10.5
71.08616	2.7
71.48964	1.6
71.49298	1.4
79.05480	6.9
81.07044	21.5
83.08610	4.9
88.45988	1.1
89.06017	1.4
91.05459	8.5
93.07026	21.4
95.04958	2.8
95.08589	33.3
96.08897	1.2
97.06510	1.7
97.10169	2.3
105.07024	22.8
107.08578	38.7
109.06493	2.7
109.10147	20.7
113.06058	1.3
117.06992	2.6
119.08562	35.4
120.32031	1.2
121.10128	36.1
122.10535	1.4
123.11690	6.9
125.09673	2.0
129.06961	1.3
131.08542	11.3
133.08569	2.1
133.10106	33.0
135.08084	2.5
135.11673	11.5
137.13242	1.4
139.11160	2.8
143.08563	2.3
145.10109	22.1
145.11211	1.9
147.08105	1.4
147.11670	21.7
148.00781	1.1
149.09613	3.3
149.13237	26.8
149.14435	1.8
153.09079	6.0
157.10152	4.7
157.27298	1.1
159.11679	11.5
161.09662	2.2
161.13235	13.2
163.14793	19.1
165.09120	2.9
165.16338	2.4
167.10698	3.4
169.10126	1.6
171.11717	5.0
173.13293	9.4
175.11192	2.1
175.14796	17.7
177.12778	1.4
177.16364	32.0
179.10645	2.2
179.14223	1.4
185.13289	5.0
187.14795	65.8
188.15207	1.8
189.16374	43.4
190.16632	1.4
191.10693	1.7
191.17934	5.9
193.12239	1.8
197.13258	2.0
199.14833	4.9
201.16354	16.9
201.17825	1.4
203.14490	1.9
203.17924	45.5
205.15948	1.8
205.19531	1.9
211.14825	2.8
213.12793	1.5
213.16360	6.0
215.14394	2.0
215.17912	6.8
217.15913	3.1
221.15398	1.9
227.17877	2.3
229.15907	1.5
229.19545	3.0
231.17397	2.3
233.15448	3.8
235.16922	5.8
241.19548	3.9
245.15405	4.6
247.16951	1.8
249.18439	11.2
255.21120	2.2
259.17001	4.1
267.21103	1.5
273.18515	1.9
284.18011	1.5
377.32114	5.2
379.33646	5.6
405.31430	8.4
409.30978	3.4
423.32559	100.0
424.33087	3.6
425.34000	3.4
433.30887	3.2
451.32062	11.5
452.37201	2.1
469.33191	41.9
470.33362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03928	1.3
55.05495	8.2
57.07049	3.7
58.62112	1.3
58.72065	1.4
60.82209	1.3
67.05492	11.7
69.07054	17.6
69.96271	9.8
71.04971	6.0
71.08640	2.2
73.06532	2.8
79.05486	8.8
81.06599	2.0
81.07047	29.0
83.08601	12.1
85.06541	2.4
91.05462	16.1
93.07034	27.5
95.04939	3.3
95.08592	41.2
97.06521	2.0
97.10152	5.2
105.07013	36.2
107.08574	45.3
109.06499	2.6
109.10141	29.5
111.08017	2.0
111.24158	1.3
117.07014	5.0
119.08564	85.6
120.08875	2.0
121.06467	1.8
121.10126	73.7
123.08055	7.8
123.11679	13.8
125.09640	2.4
127.07504	1.8
128.06213	2.1
129.06976	3.7
131.07631	2.5
131.08545	23.8
133.10103	49.8
135.08072	3.6
135.11681	22.4
137.09569	3.5
137.13235	10.8
139.07524	4.0
139.11140	3.3
142.07706	2.1
143.08534	11.3
144.09282	2.2
145.10109	46.6
146.10518	1.4
147.08044	2.0
147.11662	25.4
149.09622	1.4
149.13216	14.0
151.07526	1.4
151.11176	1.8
151.14798	2.2
153.09113	7.5
155.08554	2.9
156.09331	1.8
157.10115	10.3
159.11691	22.4
161.09624	4.7
161.13239	17.9
163.11121	2.6
163.14807	27.2
165.09128	8.6
165.12790	2.4
167.10678	4.6
169.10098	4.3
171.11650	8.4
172.12418	1.6
173.13234	21.1
175.11201	3.1
175.14795	29.2
177.16350	19.8
179.10637	5.1
179.14354	3.3
181.10158	2.6
181.12184	3.1
183.11636	4.2
185.13272	6.5
187.14793	100.0
188.15062	4.1
189.12827	3.1
189.16359	74.9
190.16725	2.5
191.14221	3.3
191.17918	6.8
193.12149	2.4
193.15897	3.5
195.11681	2.8
197.13174	3.4
199.14777	13.1
201.16357	47.2
202.16739	2.2
203.14433	1.4
203.17929	27.3
205.15810	3.0
207.11467	1.3
207.13834	2.0
207.17471	2.0
209.13345	2.8
209.15240	2.8
209.99248	1.3
211.14767	2.7
213.16338	25.2
215.17891	17.4
217.15840	5.0
219.17313	2.1
221.15401	4.2
223.14667	2.3
223.16795	3.1
225.16306	6.9
227.17937	8.6
229.15910	1.7
229.19492	4.7
231.13789	1.9
231.17467	5.9
233.15311	5.1
235.16907	14.0
237.16353	2.0
239.17920	4.7
241.19391	6.6
243.20898	1.8
247.16968	11.0
249.18443	9.1
253.19499	4.1
255.21106	2.3
257.22552	2.1
259.16946	4.1
261.18469	8.4
267.21091	4.4
275.20160	2.2
279.21289	1.8
281.22528	3.2
285.18481	3.4
287.16760	1.8
287.20056	2.3
289.21628	1.6
293.22565	2.1
299.19992	2.2
306.96771	1.5
307.24127	2.8
309.25781	9.8
311.27432	1.5
317.22794	2.5
323.27179	3.1
327.22559	1.8
333.25732	7.6
351.26987	2.2
353.24561	3.1
355.26105	3.8
360.66113	1.6
363.30573	2.0
367.26266	2.3
369.27856	11.8
371.77914	1.3
377.32037	2.2
379.26413	7.2
381.31631	11.2
387.30533	7.6
405.31470	45.4
406.31772	2.1
407.32867	1.6
409.31006	7.3
423.32544	54.9
424.32687	2.2
425.34515	8.1
427.31949	5.6
433.30920	10.1
441.33508	4.5
451.32053	14.3
452.33200	1.5
469.33112	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
51.74298	1.4
55.05494	5.9
57.07065	2.0
61.41805	1.3
67.05498	9.2
68.58537	1.2
69.07053	11.5
69.64345	11.6
74.70730	1.6
79.05473	9.4
80.39603	1.4
81.07040	24.0
83.08620	6.7
86.09668	1.6
91.05461	11.7
93.07029	18.1
94.95580	1.3
95.08591	38.4
97.10204	1.4
104.10723	3.8
105.07018	21.5
107.08578	39.1
108.21389	1.4
109.10143	22.9
117.07018	4.1
119.07715	2.3
119.08566	41.8
121.09251	1.9
121.10123	38.3
123.08064	2.2
123.11669	9.9
125.09624	1.7
129.06969	4.4
131.08548	13.7
133.09152	2.5
133.10115	38.7
135.07999	2.1
135.11678	16.6
137.13310	1.6
139.11168	4.1
142.07782	1.7
143.08540	4.7
145.08971	1.6
145.10097	26.0
147.11668	26.8
149.09607	1.8
149.13248	23.9
151.11133	1.6
153.09065	4.9
157.10127	4.3
158.10857	1.6
159.08078	1.5
159.11679	13.7
161.13228	15.6
163.11185	2.3
163.14807	18.2
165.09079	2.0
167.10712	2.6
171.11673	5.8
172.12465	2.1
173.09583	1.9
173.13239	12.0
175.14803	18.6
177.09045	2.5
177.16365	32.0
179.10658	2.8
181.37437	1.4
183.11565	1.6
184.07323	3.4
185.13274	6.7
187.11147	2.3
187.14801	63.6
188.15240	1.9
189.16353	42.1
191.14276	1.6
191.17903	5.9
197.13226	3.2
199.14842	5.8
201.12794	1.4
201.16379	17.2
201.56163	1.5
203.14389	2.5
203.17935	40.1
205.19341	1.8
206.81311	1.7
213.16371	7.7
215.14317	1.8
215.17851	8.8
217.15977	1.9
217.19632	1.7
219.13815	1.7
219.17303	1.9
221.15279	2.3
223.14984	1.6
227.17906	2.8
229.15796	2.3
229.19501	3.0
233.15405	2.8
235.16910	5.1
237.16405	1.8
241.19456	2.8
245.15303	4.0
247.16939	2.4
249.18550	10.4
259.16928	2.5
307.24548	1.6
377.31873	4.0
379.33600	5.0
397.07776	1.5
401.07849	1.6
405.31604	10.0
423.32532	100.0
424.32675	6.1
425.33899	3.3
433.31033	4.1
451.32144	14.3
452.32114	1.7
469.33212	43.1
470.33557	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	469.3305
Annotation	fatsicarpain C
Peak:m/z	Relative Intensity
51.42209	2.0
53.03927	3.7
55.05503	13.1
57.07056	4.0
63.67956	2.2
67.05495	17.0
68.65918	2.1
69.07056	14.6
69.67606	18.3
79.05477	20.6
81.07047	36.5
82.00256	1.9
83.04990	2.8
83.08622	10.6
86.86410	2.0
91.05466	20.3
93.07022	45.6
93.25988	2.3
95.04930	4.0
95.08589	47.5
97.06516	4.7
97.10157	4.9
105.07019	44.6
107.08572	61.5
109.06507	6.5
109.10127	37.9
111.08050	4.7
117.06991	10.6
119.08556	49.3
121.10130	60.1
123.08044	8.4
123.11674	12.2
128.06192	4.1
128.10806	2.2
129.06979	5.6
131.08536	31.7
133.10109	52.4
135.07994	10.6
135.11661	34.7
137.09587	15.4
137.13234	4.9
143.08517	15.7
144.09248	3.4
145.06406	2.4
145.10097	45.2
147.11662	42.1
149.09586	10.2
149.13220	19.8
151.11116	10.7
155.08502	4.4
156.09375	5.0
157.10104	23.6
158.10768	2.8
159.11676	40.0
161.09576	4.2
161.13239	33.6
163.11128	7.6
163.14790	20.4
165.12718	6.1
169.10071	10.4
170.10825	7.2
171.11676	27.9
173.13245	34.7
175.11153	3.9
175.14819	21.8
177.12755	11.9
177.16370	8.0
179.14290	4.3
181.10095	4.4
181.81953	2.2
183.11658	15.0
185.13258	24.2
187.11171	4.7
187.14795	26.7
189.12733	6.9
189.16327	13.6
191.14302	8.1
193.12192	3.4
195.11674	7.3
197.13228	14.6
199.11098	2.7
199.14825	17.5
201.12648	4.5
201.16348	20.1
203.14323	5.9
203.17917	7.8
207.11806	4.5
207.13789	6.1
209.13214	5.8
210.13998	2.7
211.14754	9.3
213.16339	17.9
215.14279	3.5
215.17870	20.1
217.15970	3.0
217.19490	4.8
219.13853	4.1
221.13205	3.0
221.15387	3.7
223.14766	8.3
223.16803	2.5
225.16310	11.0
227.14229	2.6
227.17989	11.6
229.15901	5.1
229.19478	8.2
231.13741	2.8
231.17427	2.4
233.15277	5.4
235.14813	4.3
237.16345	8.1
239.17928	6.5
241.15979	3.5
241.19444	10.2
243.17390	6.1
243.21025	4.0
245.18939	2.4
247.16881	3.4
251.17976	2.9
253.19481	5.8
255.17381	3.9
255.21045	10.4
257.19067	2.5
259.16980	3.5
261.18503	7.9
265.19492	5.7
267.21033	9.7
269.22656	6.8
271.17029	2.5
273.14743	2.9
273.18552	5.2
275.20132	2.7
277.19308	3.2
279.21103	3.6
281.19156	3.3
287.20068	8.6
301.21741	10.4
305.22592	4.5
307.24081	5.0
309.22055	2.8
309.25504	2.7
313.21674	5.5
315.23071	2.9
321.22205	3.5
349.25037	2.4
351.23093	3.2
353.24655	9.4
375.30350	3.2
377.32071	4.7
381.27713	5.6
387.30426	15.0
403.29800	2.5
405.31586	37.2
406.31931	3.7
415.30060	12.5
421.30957	16.2
422.31357	2.3
423.32837	42.0
427.28256	4.5
433.30991	55.3
439.32147	3.2
451.32117	100.0
452.32367	5.1
469.28363	7.7
469.33984	54.3
488.20810	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	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03940	3.0
55.05500	13.7
57.07062	9.2
67.05167	3.2
67.05498	25.8
69.03426	4.0
69.07057	19.4
70.08119	12.8
71.04990	6.7
79.05482	20.6
81.07048	39.1
83.04981	3.4
83.08628	10.5
83.43443	1.9
85.06535	5.7
87.08092	2.4
91.05462	28.9
93.07037	41.1
95.04968	6.2
95.08603	63.9
96.08939	3.3
97.06528	2.5
97.10142	6.0
102.46832	2.1
105.07022	63.7
105.07714	4.5
107.08581	75.1
109.06516	7.1
109.10148	40.6
111.08059	2.9
117.07035	9.0
119.08562	100.0
121.06565	2.9
121.09254	4.2
121.10131	86.1
123.08059	7.9
123.11704	17.3
125.09634	3.5
129.07024	5.8
130.07784	3.2
131.08549	39.4
133.10115	60.4
134.98189	7.0
135.08049	7.0
135.11673	33.8
137.09598	26.6
137.13240	5.5
139.11197	6.2
141.06912	2.6
143.08525	20.5
144.09364	3.1
145.10112	62.7
145.11183	4.0
147.08051	4.3
147.11655	44.6
148.12073	2.4
149.09648	7.5
149.13286	18.7
151.11191	4.7
153.09137	3.1
155.08557	8.5
156.09326	3.6
157.10094	27.5
158.10851	3.8
159.08096	2.6
159.11684	39.3
161.09608	8.4
161.13213	24.1
163.07613	3.1
163.11118	11.0
163.14795	26.5
165.12874	2.2
167.10632	2.4
169.10159	9.7
170.10825	2.4
171.11691	24.9
172.12418	2.7
173.13260	38.5
175.11226	7.2
175.14804	51.9
177.12720	4.4
177.16335	14.3
179.14445	3.1
181.10146	3.8
183.11682	12.3
183.72958	2.5
185.09630	3.2
185.13248	22.3
187.11192	4.0
187.14812	64.0
188.15210	3.6
189.12738	4.3
189.16364	88.7
191.14322	15.8
191.18002	3.8
193.15884	6.2
195.11678	3.1
197.13242	11.7
199.14774	21.5
201.12790	3.6
201.16364	17.6
202.16658	3.3
203.14326	6.9
203.17874	11.7
205.15929	8.7
209.13306	4.9
211.14853	8.9
213.16422	25.1
215.14427	7.0
215.17934	17.4
217.15901	20.7
219.17476	6.1
221.15259	2.8
223.14828	4.4
225.16399	12.3
227.18016	8.7
229.15952	5.8
229.19624	2.7
231.10396	2.3
231.13878	2.5
231.17427	17.9
233.15454	7.4
233.19096	4.0
235.17001	9.8
237.16379	3.7
239.17995	7.0
241.15865	3.6
241.19582	8.6
243.17509	7.1
247.17038	3.5
251.18037	2.7
253.19565	4.5
255.21115	4.0
257.19046	3.4
259.17007	6.1
261.14911	7.1
263.18097	3.2
265.19763	3.5
267.21219	5.6
271.17007	3.5
283.20764	2.4
285.18710	2.3
293.22601	3.8
297.18695	2.4
299.20151	6.4
307.24347	3.5
309.25888	4.1
313.21738	3.5
319.24158	10.3
333.25873	3.4
335.27444	5.5
337.25293	6.7
339.23196	4.4
353.24738	5.1
353.28683	3.1
355.26328	5.7
365.24704	16.9
366.60022	2.3
367.26495	3.0
370.33603	2.2
377.32086	8.7
379.26352	7.3
381.23819	13.6
381.26724	3.0
381.28369	4.5
382.24652	3.0
383.25766	18.7
387.30676	8.4
393.27753	3.1
395.33136	8.4
397.27209	3.1
405.31525	52.5
406.32227	3.6
421.31070	3.8
423.32626	48.0
433.30972	34.0
451.32050	77.2
452.32620	4.8
469.22937	3.6
469.33191	97.5
470.33240	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05499	14.2
55.27335	2.2
57.03440	3.5
57.07067	6.0
62.93934	2.7
67.05489	22.0
69.03437	4.8
69.07059	19.0
70.91631	8.4
71.04973	5.4
79.05483	22.1
81.07040	54.3
83.04938	4.8
83.08594	12.2
85.02890	4.5
85.06550	3.6
91.05460	25.1
93.07030	44.5
95.04986	6.7
95.08593	67.7
95.09184	5.3
97.02850	2.4
97.06527	6.6
97.10168	3.5
97.18084	2.5
99.08124	4.1
103.05499	2.4
105.07014	46.7
107.04987	2.9
107.08572	61.4
109.06516	5.0
109.10137	48.1
111.08081	5.3
117.07047	10.9
118.98222	2.3
119.08556	76.3
121.06525	4.2
121.10120	60.5
123.08067	5.9
123.11692	21.2
125.09623	4.2
127.03867	2.7
129.07048	7.9
131.08568	36.3
133.10110	51.7
135.08080	9.1
135.11684	30.9
137.09677	7.7
137.13271	9.1
141.06995	3.6
143.08536	19.5
145.10094	44.4
147.08127	3.7
147.11658	35.0
147.12662	2.6
149.09552	12.4
149.13243	20.0
151.11160	32.7
155.08589	8.7
156.09280	3.8
157.10097	27.8
157.11159	2.6
159.08105	3.8
159.11665	39.1
161.09656	5.4
161.13255	28.3
163.11230	5.1
163.14787	17.5
169.10052	11.7
170.10864	3.5
171.11667	23.9
173.09622	2.4
173.13243	35.3
175.11234	7.0
175.14778	37.1
177.05600	3.9
177.12778	5.0
177.16325	11.6
177.63443	2.2
179.10555	2.6
179.14322	4.3
181.10159	4.5
183.11592	14.9
184.12419	3.4
185.13231	17.5
187.11176	5.1
187.14795	33.8
187.16263	2.7
189.12708	4.6
189.16356	24.4
191.10686	2.7
191.14391	7.1
193.10437	2.3
193.12224	5.7
193.15939	6.1
195.11761	8.0
197.13287	13.9
198.13896	3.5
199.14803	27.9
201.12724	3.4
201.16356	54.5
201.18054	4.1
203.14366	8.6
203.18019	7.4
205.15964	6.7
207.13805	3.1
209.13316	7.2
211.14792	13.5
213.12859	2.6
213.16396	18.1
215.14517	3.3
215.17960	22.2
217.15898	8.2
217.19545	4.3
219.13892	4.1
219.17366	2.5
221.13315	3.6
221.15305	2.6
223.14890	5.3
225.16454	10.1
227.17856	15.8
229.15973	4.9
229.19557	8.8
231.17555	3.8
233.15472	3.6
235.14871	5.2
237.16428	7.1
239.18025	9.8
241.19640	8.3
243.17522	6.9
243.21143	7.1
245.15565	4.9
247.17104	10.3
251.18057	3.9
253.19646	7.7
255.17398	3.6
255.21213	7.4
257.19235	3.0
259.17078	5.9
261.18607	5.8
263.18069	3.3
267.21378	5.3
269.22461	4.5
273.18585	7.3
275.20294	3.7
277.19608	4.2
281.22754	3.9
285.18665	3.3
287.20306	4.0
289.21783	3.9
297.18701	4.0
297.22260	3.7
299.20303	4.3
301.21533	3.3
313.21594	3.0
323.20184	4.6
331.24374	2.8
335.23849	3.0
339.23517	3.1
349.25287	3.2
353.24741	3.9
367.26462	2.9
375.30566	2.5
377.32364	5.5
385.27344	5.1
387.30591	14.0
391.26389	3.8
393.31509	13.8
405.31567	42.5
406.31906	3.5
413.30725	3.6
415.30136	4.1
421.31168	10.7
423.32703	55.8
433.31107	41.5
439.32281	11.9
441.33716	2.8
451.32220	74.5
452.32794	3.4
469.33347	100.0
470.33890	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	469.2938
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
53.03928	1.4
55.01843	1.4
55.05497	6.1
57.03432	1.8
57.07061	1.8
59.04957	1.2
61.89204	1.2
67.05491	11.0
69.03408	1.3
69.07055	8.2
71.04982	2.8
79.05485	9.5
81.07041	19.4
83.04981	1.5
83.08585	3.9
85.02872	2.7
91.05467	9.4
93.07026	17.3
95.04929	3.5
95.08579	23.1
97.06511	1.7
97.10125	2.8
98.21439	4.3
99.08051	1.7
104.34896	1.2
105.07014	23.7
107.07892	2.0
107.08585	28.6
109.06488	6.0
109.10133	16.4
111.08025	1.3
114.09158	1.5
117.06989	5.8
119.08569	23.9
121.06445	3.2
121.10125	18.6
123.08028	3.7
123.11689	9.8
125.09609	5.5
128.06235	1.6
129.06976	5.6
131.08548	16.9
133.10104	19.9
135.08035	2.4
135.11679	11.2
137.09602	11.4
137.13220	4.0
141.06924	1.4
142.07741	2.6
143.08522	8.8
145.10104	16.3
147.08022	1.6
147.11658	12.5
149.09587	2.0
149.13213	8.6
150.89076	1.3
151.07510	1.6
151.11160	2.5
151.14793	1.4
155.08537	4.6
156.09351	2.5
157.10107	12.5
159.08080	1.5
159.11659	14.3
161.09647	2.4
161.13254	15.8
163.11157	1.6
163.14783	3.9
165.12762	2.0
169.10130	8.1
170.10921	2.3
171.11646	14.7
173.09653	1.7
173.13234	15.5
175.11101	2.9
175.14755	11.1
177.05493	3.3
177.12665	2.3
177.16309	1.9
179.10535	1.3
179.14270	3.3
181.10085	2.3
183.11652	11.6
185.13231	16.1
187.11143	2.3
187.14801	13.5
189.12695	3.4
189.16374	4.1
191.10614	1.8
191.14310	2.8
193.10080	2.4
195.11676	3.7
197.13246	4.6
199.14771	11.8
201.12738	1.4
201.16408	6.5
203.10678	1.5
203.14299	5.1
203.17958	3.5
209.13235	5.3
211.11255	1.6
211.14774	6.9
213.12860	1.5
213.16348	8.7
215.10667	1.6
215.14273	2.6
215.17981	7.0
217.12221	1.6
217.15807	5.0
221.13237	2.0
223.14751	3.5
225.16385	6.2
227.14287	2.1
227.17776	10.5
229.15855	3.4
231.17245	2.7
233.15388	2.0
235.14790	3.7
237.16299	6.4
239.17886	6.2
241.15965	2.6
241.19406	2.8
245.15347	2.0
249.16475	2.8
251.17958	2.9
253.19595	1.8
255.17419	2.3
259.16925	3.2
261.18726	3.1
263.18039	3.7
265.19482	4.0
273.18503	7.5
275.17822	2.0
279.21042	1.5
281.18958	2.2
283.16846	3.4
293.09827	1.4
293.22827	2.6
300.96216	1.3
305.22620	9.6
307.20801	1.9
307.24167	7.2
311.19815	1.5
321.22159	1.9
323.23605	2.2
335.27390	5.6
341.24515	1.4
343.19034	1.5
344.25256	1.5
351.23190	9.1
353.20963	1.8
353.24664	9.9
355.26282	3.9
359.27313	3.3
377.28284	9.8
379.30182	6.9
381.28018	9.0
387.26642	2.4
391.26434	2.1
395.29355	5.8
399.25305	7.7
405.27594	12.5
423.28824	33.4
423.34229	1.8
425.30731	2.7
427.28506	11.1
441.29736	2.2
451.22430	2.8
451.27841	11.9
469.29327	100.0
470.29749	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.8
55.01860	6.9
55.05497	8.6
57.03429	10.0
57.36283	2.2
61.02906	13.5
62.90592	2.1
63.00874	2.2
67.05487	14.2
69.03417	45.1
69.07042	9.0
69.67524	19.0
70.06574	5.0
71.04980	9.6
72.08138	3.1
73.02905	4.9
74.45278	2.3
76.31593	2.6
79.05476	19.9
81.03405	22.7
81.07043	22.0
83.04974	10.2
83.08585	3.3
85.02892	100.0
85.06519	3.7
87.04459	7.2
91.03879	2.5
91.05457	18.2
93.07028	27.8
95.01315	2.4
95.04946	20.1
95.08588	43.5
97.02876	31.5
97.06538	7.3
98.06025	2.9
98.21530	2.6
99.04452	5.9
105.07011	31.9
107.04949	6.2
107.08575	25.0
109.02857	13.3
109.06501	19.8
109.10117	17.9
110.57169	2.3
111.04421	11.3
114.09141	6.0
115.03905	4.2
116.16315	2.7
117.06982	8.4
119.04878	2.9
119.08570	27.9
120.08028	2.2
121.06500	15.2
121.10126	69.5
123.04471	3.8
123.08044	28.4
123.11670	8.6
124.58465	2.7
125.06007	4.1
125.09616	4.6
127.03883	17.8
128.06219	4.9
129.05440	6.8
129.06985	5.6
131.04930	5.8
131.08554	17.5
131.12895	5.9
133.06436	12.1
133.10098	23.3
135.08023	13.6
135.11671	22.0
137.05954	11.5
137.09570	6.3
139.07558	3.8
139.11160	5.6
141.05423	2.4
141.06659	3.4
142.07819	5.1
143.08557	12.0
144.09381	3.2
145.02843	5.4
145.04958	10.2
145.06436	3.8
145.10104	30.5
146.05972	12.3
146.07077	3.7
147.04402	3.9
147.07994	14.3
147.11679	8.6
149.05959	10.1
149.09605	11.0
151.07523	21.3
153.06932	3.2
155.07011	9.4
155.08527	9.8
157.10100	11.6
158.10994	2.9
159.08026	20.0
159.11662	21.0
161.05946	4.3
161.09622	14.7
161.13217	5.3
163.03925	7.2
163.07547	7.5
163.11212	3.4
167.07062	13.2
167.08377	4.9
169.08595	7.3
169.10103	12.8
170.10921	4.2
171.08026	13.9
171.11678	7.6
172.08821	5.7
173.09595	19.7
173.13232	19.6
174.05504	7.8
175.11150	4.5
175.14793	9.2
177.05490	7.6
177.09084	7.2
178.05022	2.7
179.08432	3.4
181.08600	4.0
181.10133	5.5
182.07248	3.5
182.10861	3.3
183.06453	3.6
183.11665	7.9
185.09608	9.7
185.13281	6.6
187.11066	16.1
187.14848	7.2
189.09073	4.9
189.12706	4.4
191.10638	6.3
191.14293	4.0
193.72762	2.9
195.08081	2.7
195.10136	7.2
196.12471	3.1
197.09575	22.8
197.13219	8.1
199.11182	4.6
199.14839	5.8
201.12733	6.2
201.16345	2.7
203.10641	3.6
203.14247	7.9
205.12216	4.4
207.11742	2.7
208.75458	2.8
209.11670	11.4
209.13277	6.4
211.11150	11.2
211.14708	4.0
212.11914	4.9
213.12732	8.3
215.10652	61.9
215.12582	4.6
215.14218	5.4
225.12776	4.4
225.16331	15.1
227.14230	18.8
229.12291	3.5
229.15778	14.4
233.11609	13.7
235.14827	7.1
241.15880	5.9
243.17407	8.2
245.15366	3.8
247.17001	3.2
253.15807	50.5
271.16891	76.1
289.12720	7.8
289.17926	65.1
300.08533	4.5
307.19006	36.9
309.02740	2.6
325.10913	2.6
451.23138	9.4
469.14908	4.1
469.24741	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	469.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.5
55.01864	7.1
55.05495	5.2
55.28415	1.1
57.03424	6.3
61.02895	5.3
67.05500	6.4
69.03084	1.8
69.03419	23.9
69.07041	5.6
70.06564	3.3
71.04989	10.4
71.52227	2.8
72.08141	13.5
73.02895	2.5
79.05483	7.4
81.03406	29.0
81.07037	7.9
83.04972	7.9
83.08598	2.2
84.08132	1.6
85.02891	32.7
85.06501	1.5
87.04444	3.6
87.48290	1.2
89.03893	2.6
91.03963	1.2
91.05458	8.6
93.07015	8.9
95.01257	1.3
95.04942	8.8
95.08584	11.9
97.02882	10.8
97.06513	2.6
97.07649	6.3
98.06056	1.2
99.04436	11.6
100.11230	5.0
103.03954	1.4
103.05452	2.0
105.07008	12.1
107.04939	2.2
107.08591	10.2
109.02859	11.0
109.06516	7.9
109.10088	7.5
110.02383	23.8
111.04407	4.5
111.08058	1.6
114.09477	1.9
114.10275	36.0
114.42826	1.2
115.03898	2.0
116.06239	1.3
117.03370	8.2
117.05489	2.2
117.06976	3.0
118.06530	2.3
119.04928	1.8
119.08579	10.5
121.06509	7.1
121.10126	18.0
123.04399	5.3
123.08054	8.5
123.11665	2.6
124.07577	1.6
125.05973	1.6
127.03907	8.8
129.05443	5.8
129.06958	2.5
130.07684	1.2
131.04887	3.0
131.08505	5.9
131.12910	2.2
133.06438	3.6
133.10091	7.4
135.04370	4.8
135.08011	4.6
135.11681	8.5
136.07520	2.1
137.05933	6.1
137.09576	1.4
139.11211	1.1
140.04616	2.7
141.06927	1.3
143.08519	2.7
144.06638	1.3
144.09273	1.7
145.02827	25.9
145.04889	3.9
145.06477	2.0
145.07562	4.0
145.10077	9.1
147.08018	2.8
147.09138	7.3
147.11650	2.9
149.05971	5.5
149.09564	2.3
151.07475	5.0
151.08604	1.6
152.07045	18.5
155.06976	5.0
155.08394	2.4
157.10022	2.8
159.08038	7.0
159.11694	8.4
161.05942	2.7
161.09569	3.2
161.13182	1.2
163.03867	20.3
163.07455	1.9
163.11087	1.8
164.07034	3.0
167.07007	5.2
167.08411	2.1
169.08595	2.1
169.10004	6.3
170.11005	1.2
171.07925	2.6
171.11630	3.0
172.08745	1.9
173.07097	10.3
173.09470	5.8
173.13248	5.4
175.03932	1.4
175.07321	2.4
175.08737	8.4
175.11086	2.7
175.14777	5.0
177.05440	36.2
178.05766	1.7
179.08507	1.2
181.04941	3.0
181.10074	1.5
182.07092	1.5
182.10887	2.3
183.06482	3.2
183.11641	2.2
185.09566	2.3
185.13300	2.8
187.11084	6.4
187.14763	2.6
189.12810	1.8
191.08128	100.0
192.08372	3.7
194.09233	1.9
195.10110	2.9
197.09627	7.6
197.13280	3.0
199.14775	2.9
201.08952	2.1
203.14201	2.8
205.12143	1.3
209.11598	3.3
209.13336	1.5
211.11913	6.6
211.14635	2.9
213.10245	1.2
213.12584	2.5
215.10634	16.8
220.12532	1.3
225.07483	3.2
225.16307	3.3
227.14215	4.4
229.15865	2.3
231.13643	1.5
233.11594	3.2
243.08774	1.5
243.17397	3.2
245.15407	2.9
253.15811	14.6
263.08002	2.5
271.10626	3.0
271.16901	21.2
271.22653	1.3
275.14935	1.4
289.08789	1.5
289.11765	4.6
289.17941	23.8
293.15994	6.7
307.12863	46.0
307.18777	9.1
308.13141	1.7
325.13895	24.9
331.12863	3.4
349.13803	3.6
397.14136	1.7
405.02957	1.2
415.14743	8.0
433.16077	9.9
451.16916	7.3
451.22961	2.8
451.32526	2.7
469.20694	71.4
469.33524	2.2
470.21194	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	469.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05489	0.4
57.03422	0.6
61.02906	0.8
66.21349	0.4
67.05498	0.5
68.05001	0.9
69.03420	2.8
70.06595	1.6
71.04977	0.5
71.78744	0.6
72.08131	0.5
73.02879	0.7
79.05480	0.7
80.04954	0.4
81.03409	1.3
81.05782	1.5
81.07017	0.4
82.06564	0.5
83.04980	1.9
84.08147	0.8
85.02896	5.1
87.04465	0.4
89.03914	0.6
91.05460	0.4
94.06551	1.2
95.04945	0.4
96.08120	5.0
97.02905	1.6
98.09673	1.8
99.04435	0.4
105.06959	0.3
109.02850	1.1
111.88551	0.3
114.09155	100.0
115.09484	1.4
115.97018	0.3
117.03338	0.8
119.04874	0.3
120.08119	0.4
123.04427	0.6
127.03905	1.3
135.04440	0.7
136.07422	0.4
137.05975	0.4
139.03879	2.4
145.02818	1.0
145.04970	0.5
146.08107	2.1
147.04388	1.8
149.05965	0.4
151.03876	0.5
154.04958	0.5
163.03893	4.4
167.07028	0.5
177.05457	1.6
182.08061	1.5
250.18057	0.3
257.37460	0.3
263.14005	0.5
276.14352	2.3
277.16718	0.6
289.12204	0.5
307.16483	49.3
308.13571	0.5
308.16754	1.6
371.44022	0.3
455.06290	0.3
469.21970	20.1
470.21729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
54.19518	0.4
55.01864	3.2
55.05500	1.6
57.03433	2.2
58.25774	0.4
61.02919	0.9
67.05492	1.9
69.03420	10.9
69.07036	0.9
69.81348	2.4
70.06568	1.3
71.01353	0.6
71.04977	6.9
72.08160	2.7
73.02878	0.8
79.05472	1.4
81.03409	11.2
81.07034	2.1
83.04980	2.3
84.08111	0.7
85.02889	5.8
87.04463	0.6
89.03932	0.6
91.05480	2.1
93.07024	2.0
95.04965	2.6
95.08577	3.1
97.02873	2.4
97.06520	0.5
97.07630	1.1
99.04448	5.9
103.03901	0.6
103.05464	0.5
105.07011	2.4
107.04907	0.9
107.08578	2.2
109.02866	4.6
109.06459	1.0
109.10146	1.7
110.02387	6.3
111.04415	0.5
114.09156	0.6
114.09424	0.6
114.10267	6.8
115.08673	0.4
117.03386	2.5
117.05478	1.3
117.06980	0.9
118.06534	2.4
119.04909	0.5
119.08543	1.7
121.06501	1.4
121.10125	3.7
123.04395	1.5
123.08034	1.6
127.03894	2.0
129.05441	1.2
131.08536	1.5
133.06488	0.6
133.10129	1.7
135.04413	1.3
135.08054	0.8
135.11664	1.6
137.05965	2.1
137.09674	0.5
140.04671	0.8
143.08543	0.8
145.02824	5.4
145.04974	0.7
145.06459	0.8
145.07585	3.9
145.10115	1.7
147.04369	0.8
147.08075	0.7
147.09135	3.8
147.11674	0.5
149.05975	1.5
151.07544	0.9
152.07062	3.7
155.07031	1.3
155.08398	0.5
157.10109	0.9
159.07991	0.8
159.11681	1.2
161.05959	1.3
161.09550	0.7
163.03894	4.1
163.07465	0.6
163.08691	1.0
167.07063	1.9
169.08572	0.6
169.09984	0.6
171.07910	0.5
173.07086	8.1
173.09576	1.2
173.13226	1.1
175.03903	0.4
175.05786	0.4
175.07463	0.7
175.08691	5.2
175.14815	0.9
177.05438	8.4
177.09091	0.6
179.08427	0.5
181.04893	1.0
181.08591	0.5
183.06514	1.0
183.11661	0.6
185.09669	0.5
185.13290	0.6
186.10193	0.5
187.11156	0.8
190.26855	0.4
191.08128	100.0
192.08435	1.6
197.09610	1.3
197.13115	0.4
201.12697	0.8
203.08356	0.5
203.14357	0.8
209.11714	0.6
210.13947	0.5
211.11830	1.7
213.10283	0.6
215.10466	2.3
225.07520	1.1
227.14301	0.9
229.15799	0.5
233.09196	0.6
233.11456	0.6
253.15808	2.8
259.09534	0.7
271.10651	0.7
271.16840	4.4
271.22696	1.0
289.11835	3.8
289.18015	5.0
293.16006	1.3
307.12845	67.2
307.18518	1.9
308.13083	1.4
325.13904	17.8
349.14075	0.7
389.16571	0.6
397.13724	0.8
407.17990	1.4
409.15979	0.9
415.14865	1.8
433.16098	6.5
433.21844	0.8
451.17020	2.2
451.22720	0.7
469.20670	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	468.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
63.02357	0.4
65.50597	0.2
69.03416	0.2
69.57595	1.7
72.35850	0.2
78.04671	0.2
81.03405	0.2
84.08118	0.5
88.46961	0.2
89.03905	5.7
89.04430	0.4
91.05476	0.3
97.02889	0.2
103.05459	0.2
106.04136	0.4
112.07607	0.7
117.03367	18.5
118.03725	0.2
121.08630	0.2
130.08629	12.8
134.03654	1.2
135.04414	1.5
140.19341	0.2
145.02829	48.7
146.03178	0.7
149.05959	6.7
162.03120	0.4
163.03918	0.7
177.05449	100.0
178.05809	1.3
186.05490	1.1
195.06546	0.3
240.12453	0.2
248.93536	0.2
292.13861	0.8
321.09735	0.5
339.10727	2.6
412.49756	0.2
468.18387	1.4
491.59406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
63.02387	0.4
67.05490	0.6
68.25338	0.4
69.03417	0.9
69.54903	0.5
70.80281	0.4
71.79661	0.5
79.05476	0.5
81.03397	1.3
84.08127	0.6
84.74251	0.4
85.02892	0.9
86.09686	1.2
89.03909	5.8
91.05468	1.1
93.07030	0.8
95.04951	0.5
95.08565	0.4
97.02867	0.6
99.04445	0.5
104.10726	1.1
106.04155	0.7
109.02877	0.6
112.07554	0.6
114.09138	0.6
117.03361	17.4
121.06480	0.9
122.06012	0.6
124.07610	0.6
130.08624	13.0
134.03629	1.7
135.04414	1.3
141.33046	0.4
145.02826	49.4
147.04422	0.6
149.05972	6.4
157.10066	0.5
158.05971	0.5
163.03957	0.8
173.06862	0.4
175.11156	0.5
177.05443	100.0
178.05777	1.7
184.07298	1.3
186.05478	1.0
191.08124	2.2
217.12245	0.6
235.13292	0.9
253.14330	0.6
292.13809	0.6
304.05139	0.7
306.05634	0.7
307.12793	1.2
325.13959	1.0
339.10745	2.9
374.05557	0.5
381.38428	0.4
436.65112	0.5
468.18527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59060	0.5
55.01856	0.7
55.05503	9.8
55.05765	0.9
57.03430	1.5
57.07067	26.6
59.04995	2.7
65.03934	1.5
66.22021	0.5
67.05496	74.2
69.07057	8.1
70.25364	1.4
70.25761	1.1
71.04979	2.3
71.08623	19.9
79.05482	2.2
81.07043	21.7
83.08610	11.7
85.06536	2.4
85.10170	9.3
89.05991	0.7
89.92739	0.5
91.05456	4.6
93.07032	2.8
95.08597	20.6
97.10151	4.6
99.08085	0.7
99.11735	0.6
105.03403	0.7
105.07027	0.7
107.08591	3.0
109.10143	59.5
111.08073	1.6
111.11739	0.9
119.08560	4.1
121.10132	1.1
123.11702	3.8
125.09738	0.5
125.13252	0.9
137.09644	1.9
137.13243	1.7
143.08499	0.5
149.20108	0.6
151.14848	0.7
155.10620	2.6
159.11752	0.6
164.74448	0.5
173.09538	0.8
173.11719	20.0
183.44685	0.5
211.13559	0.6
221.22594	0.5
239.23691	7.0
286.65988	0.6
449.30115	0.6
467.37314	100.0
468.37943	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	467.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63713	0.8
53.03937	1.3
55.05503	12.6
56.94722	0.9
57.03432	1.8
57.07065	36.5
58.06596	1.2
59.04973	3.6
60.04514	3.3
64.33755	0.9
65.03932	2.8
67.05495	100.0
69.07059	15.4
70.07383	2.1
71.04984	2.4
71.08624	22.1
71.59682	2.4
79.05478	4.0
81.07041	38.5
82.07371	2.6
83.08606	15.2
84.08137	4.3
85.06530	3.4
85.10168	12.8
85.84074	0.9
88.13440	0.9
89.06019	1.8
91.05482	6.4
93.07026	8.4
94.07355	1.3
95.04971	0.9
95.08589	32.1
96.08892	1.0
97.10158	6.8
99.81613	0.9
105.07035	3.4
106.07343	1.1
106.58741	0.8
107.08572	8.1
108.08922	1.5
109.10141	75.8
110.10501	2.6
111.08067	2.5
111.11695	1.2
119.08555	6.0
120.08893	1.0
120.28453	0.9
121.10116	3.8
122.10539	1.1
123.11661	5.0
125.13334	1.1
133.10065	1.7
135.11653	2.5
136.11980	0.9
137.09602	3.2
137.13217	3.0
137.93886	1.0
143.08575	1.3
145.10124	1.6
146.79285	0.9
147.11681	1.4
149.13255	2.1
155.10637	3.3
159.11728	2.3
160.06335	0.9
161.13142	1.8
171.62053	0.9
173.11713	24.0
173.13132	1.0
218.52930	0.8
239.23712	8.2
242.19923	1.1
242.96765	0.9
257.50354	0.8
270.60852	0.9
301.59482	1.0
313.27798	0.9
372.02386	1.0
408.36829	0.9
467.36566	94.0
468.37503	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	467.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.05503	9.9
57.03415	1.5
57.07067	29.7
59.04977	2.4
65.03912	1.9
67.05493	85.0
68.05798	0.9
69.07059	7.5
70.92556	1.4
71.04976	2.6
71.08240	1.0
71.08619	20.7
79.05479	2.9
81.07040	25.3
83.08606	14.0
85.02882	0.7
85.06525	3.0
85.10169	12.1
89.06017	1.7
91.05468	6.2
93.07030	5.0
95.04963	1.3
95.08595	23.0
97.10164	5.0
99.08064	1.1
105.06994	2.2
107.08560	3.5
107.52675	0.7
109.10139	66.7
109.86713	0.6
110.10465	1.4
111.08054	2.9
111.11729	1.1
111.55126	0.7
117.06950	0.8
119.08553	7.7
121.10125	1.5
123.11658	4.6
131.08542	0.9
133.10110	2.0
135.11691	1.4
137.09581	3.0
137.13216	2.4
145.10080	1.7
147.11723	1.0
149.09702	0.9
149.13246	2.2
155.10696	3.3
159.11748	1.0
165.09064	0.9
173.11723	22.4
173.13188	1.1
175.14835	1.5
187.14790	1.9
201.16371	0.8
215.14375	0.7
221.22629	0.8
228.20340	0.7
239.23705	8.5
283.17523	0.8
284.19516	0.8
421.31085	0.7
467.37244	100.0
468.37653	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03934	1.9
55.05503	9.8
57.07076	1.7
60.34688	1.4
65.03936	2.0
67.05493	19.4
69.03423	3.3
69.07059	15.8
70.97169	3.7
70.97531	1.8
79.05479	24.0
81.07043	38.2
83.04977	3.7
83.08599	9.0
91.05461	26.8
93.07030	49.2
95.04948	7.5
95.08590	43.2
95.09177	2.6
97.06495	8.5
97.10158	3.7
99.49281	1.5
103.05460	2.9
105.07014	48.1
105.07702	2.7
107.04945	1.9
107.08578	58.9
109.06518	8.4
109.10136	39.9
111.08113	3.1
115.05474	1.8
117.06988	8.5
119.08558	70.0
121.06519	2.8
121.10123	100.0
122.10472	1.5
123.08059	13.6
123.11679	17.5
125.09640	5.7
129.07018	5.9
131.08545	37.8
133.06528	3.1
133.10106	64.8
135.08038	8.8
135.11668	63.7
137.09592	11.3
137.13263	3.4
139.07553	1.8
139.11159	1.8
142.07800	3.8
143.08539	15.0
144.09358	3.3
145.10100	46.0
145.11198	2.8
147.08041	13.5
147.11656	34.2
149.09613	17.5
149.13217	9.9
151.11084	2.9
153.09052	7.6
155.08609	3.3
156.09360	2.6
157.10117	19.4
158.10922	2.9
159.08098	1.8
159.11665	29.2
159.12907	1.7
161.09589	9.7
161.13228	29.3
163.11212	1.6
163.14789	17.3
165.09096	30.4
165.10403	2.1
169.10114	7.6
170.10910	3.3
171.11649	24.7
171.12993	1.6
173.09622	2.1
173.13232	31.7
173.14554	2.0
175.11240	6.8
175.14793	23.8
175.16132	1.7
177.12831	1.7
177.16356	7.5
179.10643	21.4
179.12064	1.8
179.14343	2.3
181.10127	2.3
182.10913	2.0
183.11649	7.4
184.12434	2.3
185.13249	28.8
187.11259	1.4
187.14777	23.1
189.12740	9.2
189.14632	2.0
189.16354	24.3
191.10600	1.6
191.14291	8.5
191.18022	2.2
195.11809	2.0
197.13232	9.8
199.14790	27.6
199.16434	1.9
201.12753	2.7
201.16380	17.7
202.94124	1.4
203.14250	9.5
203.17989	6.7
205.12260	4.1
205.15929	3.0
207.13821	3.9
209.13306	3.1
211.14827	6.1
213.16316	15.5
215.14420	4.0
215.17909	13.5
217.12294	3.8
217.15820	11.8
219.13824	3.7
219.17392	2.8
221.13240	2.0
223.14815	3.1
225.16451	5.3
227.17944	5.5
229.15936	4.0
229.19633	5.1
231.13918	2.1
231.17406	9.3
233.15346	3.0
237.16449	2.5
239.18039	3.1
241.19582	3.8
243.13783	3.3
243.21030	1.9
245.15334	3.4
251.17963	2.0
253.19539	4.3
255.21140	5.8
259.16919	1.6
265.19467	2.8
267.21243	3.9
269.22470	2.0
271.20660	2.5
279.21146	2.0
297.18701	1.8
305.22644	2.8
311.08218	1.4
313.21725	1.5
323.23611	8.5
325.25302	2.1
328.70715	1.5
335.27414	2.9
337.29041	1.9
345.25735	1.9
363.26865	16.6
365.28476	3.2
369.24274	2.4
371.25836	4.6
375.30743	3.4
381.27832	26.0
391.30011	2.1
393.31427	12.3
403.29962	21.8
403.34869	2.4
421.30939	80.0
431.29587	4.8
439.32166	17.7
449.30447	16.4
467.31668	54.0
485.32883	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05500	6.3
57.03413	3.4
57.07068	2.1
65.03902	0.9
65.51841	0.9
66.69857	0.8
67.05495	10.2
69.07056	6.9
70.84866	1.0
71.04977	1.4
71.19149	2.1
71.19500	1.1
79.05480	7.3
81.07040	11.0
83.04959	2.2
83.08595	3.8
85.06529	6.5
91.05460	10.2
93.06494	1.2
93.07038	15.5
95.04956	2.3
95.08588	17.5
97.06551	1.2
97.10165	0.8
98.47137	1.0
99.08079	2.1
105.07016	24.8
105.07706	1.7
107.08577	20.7
107.73841	0.8
109.06518	4.3
109.10142	48.8
113.05965	1.2
113.09637	1.2
117.07010	7.0
119.08567	31.3
121.06503	3.6
121.10124	26.8
123.08047	5.5
123.11700	7.7
125.09615	3.2
129.07008	6.2
130.07785	1.6
131.08542	16.8
133.06548	1.4
133.10109	34.9
134.82280	1.0
135.08052	3.5
135.11671	12.9
137.05969	0.9
137.09596	3.8
137.11757	0.9
137.13243	4.0
139.11212	1.5
142.07739	4.3
143.08536	14.0
144.09334	2.0
145.10110	33.0
147.08035	1.9
147.11659	25.1
149.09589	14.7
149.13217	7.3
151.11182	1.8
155.08522	4.3
156.09317	3.5
157.10127	19.4
158.10815	1.9
159.08084	1.4
159.11674	33.0
161.09595	8.6
161.13225	18.0
163.11159	11.0
163.14821	3.7
165.07030	1.1
165.09039	4.4
165.12785	1.5
167.08437	1.1
169.10069	6.8
170.10904	3.3
171.11664	23.0
171.44464	0.9
172.12436	1.2
173.09637	3.6
173.13237	17.5
175.11165	18.8
175.14787	13.1
177.12730	12.3
177.16367	2.0
179.10678	3.9
179.14355	1.7
181.10191	2.7
182.10883	1.7
183.11711	11.5
185.13243	17.1
186.13702	1.2
187.11218	3.0
187.14766	10.8
189.09108	1.8
189.12733	11.3
189.16353	5.4
191.14284	5.4
193.10182	1.6
193.15866	1.1
193.69307	1.0
195.11664	4.6
197.13263	7.2
199.11124	2.3
199.14781	9.6
201.12711	3.4
201.16452	5.3
203.10251	1.0
203.14294	20.9
203.17970	2.1
205.12291	2.3
205.15852	3.9
205.98477	1.0
207.11720	2.5
207.13737	1.7
209.13292	5.5
210.14061	1.3
211.11169	1.2
211.14798	9.6
213.12793	3.6
213.16356	6.3
215.14377	4.6
215.17990	2.8
217.15831	8.3
219.13817	2.5
219.17448	3.9
221.13239	2.6
223.14854	6.4
225.12746	2.6
225.16328	5.1
227.14246	4.6
227.18019	2.7
229.15822	6.7
229.19560	1.6
231.13858	1.7
231.17389	8.5
233.13196	1.5
233.15369	1.6
235.14902	2.5
236.15456	1.3
237.14465	6.6
237.16782	2.0
239.14258	1.8
239.17940	3.9
241.15848	1.3
241.19504	1.3
243.17342	5.3
243.21136	2.1
245.15427	1.2
245.18954	5.5
247.14865	1.9
249.16455	2.8
251.18013	4.0
253.15903	2.5
253.19542	3.0
255.17358	9.8
257.19043	3.3
261.16290	2.9
263.16455	4.8
263.18472	1.2
265.19501	3.3
267.17395	6.2
269.19006	4.4
271.20389	1.3
275.18063	1.3
277.19458	2.8
279.17380	1.5
279.20984	1.7
281.18976	10.5
283.20578	3.2
289.19412	2.8
291.21161	2.3
293.19073	1.9
295.20511	1.0
297.18549	1.0
299.20065	1.4
301.19135	1.1
303.21024	1.8
305.19302	1.2
305.22537	1.0
307.20517	3.6
309.22223	1.0
315.21231	1.5
317.22757	3.6
319.20587	3.8
331.24133	1.8
333.22113	4.2
333.25681	1.9
341.21713	1.1
347.23541	1.6
347.27344	1.9
351.23190	1.8
360.24588	1.1
361.28745	2.9
363.26822	2.5
365.24533	1.8
365.28467	4.6
369.24353	2.8
371.27261	8.2
372.51779	1.2
379.29968	1.2
389.28339	89.7
390.28763	2.2
395.25742	7.9
399.26520	1.0
407.29391	66.5
408.29538	1.4
409.27200	1.4
417.27890	4.2
421.31570	4.8
431.29343	4.5
435.28784	9.0
439.32007	2.4
449.30466	45.8
450.31091	1.4
453.30017	1.1
467.31531	100.0
468.31870	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03938	2.1
55.05508	11.2
57.07058	2.5
58.90665	1.5
67.05500	16.7
69.07054	11.1
69.62063	2.7
69.62476	10.8
71.04959	4.1
71.08617	1.5
79.05481	18.9
81.07049	30.2
83.04965	3.2
83.08599	6.9
91.05463	27.4
93.07031	40.8
95.04967	8.3
95.08599	37.5
95.16689	1.3
97.06505	5.3
99.04434	4.4
103.05437	1.9
105.07014	57.0
107.08583	54.1
107.09324	1.9
109.06504	6.0
109.10145	23.1
111.04470	2.4
111.08057	3.7
113.05996	6.6
115.05432	3.3
115.35419	1.3
117.07009	10.5
119.08570	79.1
121.06558	3.6
121.10130	49.6
123.08054	14.2
123.11662	10.2
125.05975	1.6
125.09634	1.7
128.06212	3.1
129.06958	7.6
130.07726	2.8
131.08553	45.9
133.06493	3.4
133.10109	59.1
135.08060	10.6
135.11681	22.3
137.05939	1.5
137.09619	5.7
137.13179	2.3
139.07539	6.0
141.06931	2.2
142.07773	4.5
143.08553	16.9
144.09323	3.1
145.10106	79.9
147.08060	11.5
147.11665	30.7
149.05965	2.2
149.09602	6.7
149.13206	11.1
151.07486	1.8
151.11142	1.9
153.09068	1.9
155.08513	8.9
156.09328	5.9
157.10120	27.5
158.10905	3.2
159.08067	4.6
159.11668	47.4
161.09639	6.5
161.13234	18.8
163.11156	5.2
163.14803	8.8
165.09111	24.3
165.12733	2.9
168.09288	2.0
169.10097	10.5
170.10927	6.7
171.11681	29.0
172.12454	3.1
173.09607	4.8
173.13240	38.5
175.11253	7.9
175.14796	38.6
177.09100	6.8
177.12846	2.9
177.16368	17.9
179.10663	3.5
181.10072	4.0
182.10851	5.2
183.11673	13.0
184.12508	1.4
185.09633	2.1
185.13232	34.5
187.11201	4.9
187.14804	100.0
189.12813	5.6
189.16373	21.3
191.10648	2.7
191.14304	3.7
193.12260	2.5
193.15808	2.3
195.11702	4.3
196.12448	2.5
197.13237	15.6
199.11087	1.8
199.14799	16.2
201.12740	12.1
201.16374	32.9
203.14273	4.7
203.17973	11.6
205.12212	12.4
205.15936	4.2
207.11865	2.7
207.13835	4.6
209.13271	5.2
211.14783	9.6
213.12825	2.9
213.16393	11.0
215.14317	14.7
215.17891	12.1
217.15857	4.1
219.11723	1.6
219.13762	19.9
221.13330	2.1
221.15408	5.4
223.14760	3.7
225.16417	5.7
227.14394	2.2
227.17955	6.2
229.15849	9.2
229.19534	4.3
231.13857	4.7
231.17514	2.0
233.15369	14.0
235.16905	3.9
237.16396	4.4
239.17990	5.9
241.19469	5.2
245.15367	5.5
247.16849	12.0
251.17963	2.9
253.16191	1.5
253.19556	4.1
255.21062	4.8
259.08710	1.8
259.16867	3.7
265.19534	3.3
267.21039	2.7
269.22714	2.1
273.18631	2.6
277.19479	2.4
281.19016	1.8
289.19449	1.6
291.21106	2.2
299.20044	2.5
305.22534	1.8
309.25827	3.8
321.25610	2.7
331.24081	4.1
347.23584	2.2
351.23154	2.2
353.57275	1.9
361.28873	2.2
367.26099	2.9
375.30457	3.3
379.29919	2.6
385.28897	5.9
391.30023	3.0
393.27689	11.1
403.29935	26.9
405.27576	3.4
407.29385	2.2
419.29495	3.9
421.30991	76.9
422.31094	3.2
423.32770	7.3
431.29443	9.3
437.30728	2.1
449.30533	31.8
450.30746	1.8
467.31531	96.5
468.32184	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	467.3149
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03922	1.5
55.05495	10.2
57.07061	4.9
67.05489	8.6
69.07056	8.9
70.13582	2.8
70.13975	3.2
79.05474	8.6
81.07034	19.4
83.08601	21.7
91.05457	11.6
93.07033	17.3
95.04951	3.2
95.08595	16.6
97.10169	7.0
105.07014	20.9
107.08572	37.5
109.06493	2.1
109.10176	9.5
109.10838	1.7
117.06997	7.1
119.08561	24.1
120.09328	1.6
121.06519	1.3
121.10131	29.8
121.10960	2.0
123.11687	36.6
128.23502	1.4
129.06990	5.0
131.07607	2.4
131.08537	15.6
133.10112	19.8
135.11670	100.0
136.12004	1.7
137.13242	16.4
142.07802	2.6
143.08546	9.9
145.10110	22.7
147.08035	1.6
147.11630	14.2
149.13234	27.5
151.14842	2.0
155.08554	3.4
157.10118	11.8
159.11653	13.1
161.09593	2.0
161.13211	8.0
163.14792	5.6
169.10143	7.8
171.11641	19.4
173.09636	1.4
173.13234	12.7
175.14890	6.4
177.12761	2.2
177.16356	6.7
181.10080	2.7
183.11696	7.5
184.12726	1.6
185.13193	10.7
187.14799	14.3
189.12645	2.0
189.16403	8.6
191.10634	1.6
191.17957	3.6
193.12180	1.9
195.11696	2.2
197.13235	8.0
199.11142	1.8
199.14836	10.1
201.16351	18.1
203.17970	8.2
205.19627	1.8
209.13338	3.0
211.14824	5.6
213.16336	6.9
215.18016	4.6
217.12231	3.4
219.13847	2.7
223.14807	2.3
225.16444	7.4
225.18414	1.2
227.17896	7.7
229.12250	1.8
229.19490	3.6
233.15379	2.8
237.16400	4.9
239.17874	15.6
241.19408	7.4
251.17897	2.6
253.19528	7.0
255.20952	3.0
257.15378	2.7
259.17023	1.4
261.18558	2.0
265.19556	1.7
269.15408	2.1
271.16901	3.4
279.21112	4.2
283.16922	4.2
285.18539	7.3
291.20956	3.4
293.22623	2.1
299.20062	2.0
305.22659	4.1
351.23099	4.3
375.30408	18.6
377.32095	2.6
385.28882	1.6
403.29898	5.7
407.29462	2.2
421.30966	89.0
422.31403	3.2
423.32486	10.8
431.29330	2.3
449.30487	20.6
467.31534	94.2
468.31897	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	467.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	1.2
57.03412	0.6
61.02922	0.6
69.03416	1.1
69.07065	0.5
70.06567	1.1
70.33045	2.2
72.08134	1.2
76.62869	0.4
81.03398	0.8
81.04521	0.9
81.70275	0.4
84.08128	1.6
85.02921	3.0
94.06557	3.2
95.06112	0.5
96.08149	0.6
97.02898	0.9
98.06046	1.6
98.97571	2.3
103.05463	0.7
114.09130	1.5
116.98620	1.2
119.04918	0.6
120.08087	8.2
122.06010	14.7
123.06310	0.7
125.07097	1.0
127.03912	0.7
127.81360	0.5
134.99649	0.9
135.04352	0.6
136.07559	1.6
138.05482	35.7
139.03868	0.8
139.05815	0.7
140.07045	100.0
141.07402	1.6
143.08163	2.1
145.02843	0.9
145.04842	0.7
146.99698	0.6
147.04430	1.3
152.07152	0.5
153.01848	0.7
163.03864	3.1
166.08638	1.8
170.08040	0.5
177.00755	1.4
203.03406	0.7
219.01683	1.0
234.99022	0.6
237.02815	2.1
257.04413	0.7
261.02905	0.5
265.66754	0.5
299.05347	0.6
309.08682	0.6
467.17776	5.4
467.23441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.315
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03947	1.2
55.05498	6.8
57.07038	3.5
59.43090	0.9
65.03892	1.0
67.05489	10.1
67.21652	0.8
69.03394	2.0
69.07056	9.6
70.06579	5.2
71.04189	2.8
71.04967	1.5
71.08593	1.8
79.05482	12.8
81.06607	1.2
81.07044	25.5
83.04935	3.0
83.08604	4.5
88.07603	5.6
91.05469	22.4
93.07028	27.7
95.04957	6.8
95.08594	29.4
97.06491	3.0
97.10131	1.8
99.04413	3.2
100.52523	0.9
102.09112	3.7
102.09714	1.1
103.05376	2.0
105.07013	41.6
107.04916	0.9
107.08573	40.6
109.06448	2.8
109.09412	1.0
109.10131	18.4
111.04408	1.2
111.08074	4.5
113.05994	5.9
115.05432	1.4
117.07011	8.5
119.08562	57.0
120.08822	1.1
121.06450	3.2
121.10125	35.4
123.08073	8.8
123.11669	7.5
125.05958	2.0
125.09585	1.4
128.06171	2.0
129.06946	5.2
130.07697	1.3
131.08545	30.0
133.06444	2.7
133.10100	46.0
135.08055	4.7
135.11667	19.2
137.05922	1.3
137.09532	2.7
137.13231	1.4
139.06508	0.9
139.07484	5.1
141.06883	2.4
142.07735	2.0
143.08517	11.7
144.09299	1.8
145.06483	1.5
145.10101	43.3
146.10820	1.0
147.08028	6.9
147.10559	1.4
147.11656	21.5
149.02321	15.7
149.05896	1.4
149.09546	3.6
149.13277	8.1
150.02679	4.9
153.09047	2.3
155.08511	4.2
156.09315	5.6
157.10109	17.4
158.07243	1.1
158.10840	2.1
159.07999	3.6
159.11664	31.2
161.09528	4.4
161.13219	14.5
163.07463	1.7
163.11122	3.2
163.14793	6.4
165.09097	14.1
167.08392	1.2
169.10118	7.4
170.10812	3.6
171.11664	19.5
172.12360	2.0
173.09569	3.6
173.13226	31.5
175.11203	5.4
175.14787	29.1
177.09056	4.8
177.12587	1.8
177.16377	12.2
179.10541	2.6
181.10046	2.4
182.10791	2.6
183.11621	8.4
185.11723	1.3
185.13226	18.9
187.11116	3.6
187.14781	63.1
188.15140	1.8
189.08966	1.1
189.12730	5.3
189.16362	17.8
191.10620	2.8
191.14262	2.4
191.18001	1.0
193.04922	14.5
193.12100	2.7
193.15791	2.9
194.05296	8.6
195.11601	2.7
197.13234	10.8
199.11041	2.2
199.14774	11.9
201.12735	5.6
201.16339	23.6
203.14238	4.2
203.17957	10.2
205.12230	9.2
205.15756	4.3
207.11784	1.4
207.13670	5.4
209.13248	2.2
211.14749	6.9
213.12643	2.6
213.16335	8.4
215.14293	9.7
215.17886	6.4
217.12148	1.7
217.15839	2.6
217.19304	1.7
219.11646	1.5
219.13754	15.0
219.17099	1.1
221.13289	1.4
221.15311	3.0
223.14691	3.7
225.16290	6.0
227.14351	2.0
227.17950	4.8
229.15839	5.5
229.19389	4.5
231.13747	2.9
231.17197	1.6
233.15286	10.4
235.16795	2.7
237.07513	13.6
237.16322	1.5
238.07852	9.7
239.17799	3.4
241.19421	3.3
243.17416	1.2
243.21109	1.1
245.15302	4.4
247.16937	6.9
249.16168	1.1
253.19392	2.6
255.21024	2.7
256.26297	6.3
257.26697	11.0
259.16827	3.3
261.18625	1.4
263.17868	1.5
265.19586	1.8
267.20825	1.9
271.16776	1.2
273.18414	1.7
277.19434	1.9
285.18307	1.4
297.18268	1.5
299.19925	1.2
309.25616	1.7
331.08713	1.0
337.21469	1.1
347.27237	2.2
365.24860	1.5
367.26144	2.3
375.30142	2.4
379.25720	1.7
379.30054	2.1
381.31247	1.6
385.28625	2.8
391.29993	1.5
393.27676	8.1
403.25241	1.2
403.29953	16.9
405.31638	1.7
407.29260	1.9
419.29138	2.2
421.30945	51.6
422.31131	2.2
423.32608	6.4
425.30563	1.6
431.29248	5.3
439.28165	3.8
449.01529	1.3
449.30292	20.4
467.31445	100.0
468.31586	2.2
484.35135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96528	0.3
71.79008	0.4
81.80246	0.2
88.87492	0.2
89.02543	0.2
98.97521	1.0
116.98562	0.7
134.99594	1.0
140.98882	0.3
155.80170	0.2
170.92058	0.2
177.00815	0.3
192.98965	0.3
198.97722	0.3
216.98828	1.1
219.01857	0.5
222.97900	1.0
234.99956	7.6
236.00063	0.8
239.35098	0.2
240.98814	1.9
241.99077	0.4
253.01016	2.6
258.99960	23.5
260.00113	2.4
261.00272	0.5
261.02966	1.0
262.02933	0.3
263.02957	0.2
264.98752	2.8
273.98734	0.4
277.01001	30.0
278.01099	3.4
279.01053	0.7
282.01569	0.3
282.99945	52.4
284.00040	5.6
284.99982	0.5
291.99762	0.7
295.02115	0.3
300.02563	0.5
301.00998	100.0
302.01138	10.1
303.01123	1.3
312.48636	0.2
316.98990	0.4
318.98434	0.4
319.02060	6.1
320.02176	0.7
324.02499	3.2
325.02725	0.6
337.15295	0.3
340.99310	0.3
342.03458	0.2
343.01898	0.6
358.99756	0.6
364.98700	1.2
383.00034	0.8
401.01111	4.3
402.01089	0.7
403.01346	0.3
406.99951	5.6
408.00232	0.9
425.01111	25.2
426.01205	3.9
427.01025	0.5
443.02173	91.7
444.02289	13.8
445.02682	1.2
455.00873	0.4
455.49545	0.3
461.03384	0.6
466.03842	6.4
467.03729	1.6
485.02310	0.3
485.28595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61435	0.4
53.03949	1.5
55.01870	0.7
55.05507	0.7
57.03458	0.6
61.02925	1.3
67.05499	1.7
68.05028	0.4
69.03419	3.1
70.06584	1.7
71.04979	0.9
72.08165	0.6
72.38422	0.4
73.02912	0.5
79.05490	1.1
81.03410	3.4
81.07051	1.7
83.04996	0.5
84.08145	0.7
85.02895	6.6
85.06497	0.5
86.03244	0.8
86.06063	0.6
86.09705	1.4
89.95832	0.5
91.03915	0.8
91.05457	2.7
93.05816	0.5
93.06546	0.4
93.07000	2.3
94.06556	1.3
95.04957	1.6
95.08580	0.9
96.08121	1.1
97.02885	2.5
97.06530	0.9
98.03230	0.5
99.04430	0.7
106.02837	0.5
107.04968	1.2
108.08101	1.8
109.02876	4.0
109.10146	1.9
110.06043	0.5
114.09129	1.1
117.03385	1.3
120.04401	0.4
120.08112	0.6
121.02829	0.7
122.03123	0.5
122.06011	6.0
123.04437	1.8
124.07578	10.7
125.07906	0.7
125.09627	0.7
126.05512	1.0
127.03905	3.6
129.06610	0.7
130.08589	1.1
131.04955	0.7
135.04419	0.8
136.07559	95.6
137.02310	1.0
137.05969	1.2
137.07893	1.7
138.02664	0.8
138.05344	0.5
138.09103	0.8
140.07028	3.1
141.17918	0.6
142.08615	1.1
145.02820	2.6
145.04817	0.8
146.06018	0.9
147.04408	0.8
148.07477	0.5
150.05470	0.8
151.03883	0.6
152.05801	1.2
152.07048	22.6
153.01794	2.6
154.02165	0.7
155.10641	0.6
163.03908	3.6
164.07045	100.0
165.01782	0.9
165.07349	1.9
166.08615	2.0
170.08133	1.4
177.05406	4.2
178.08644	0.5
182.08162	2.9
184.07332	2.0
188.07072	0.9
201.05426	0.7
212.09149	0.9
224.09148	1.8
229.04842	1.2
230.05334	0.6
231.05505	0.7
255.11226	0.7
257.04361	1.1
259.05191	0.8
271.09622	0.6
272.09256	0.5
285.03693	0.6
287.13870	26.9
288.14172	0.9
290.10318	1.0
296.11417	0.6
297.12204	0.7
303.04971	15.4
304.05298	15.7
305.05508	31.4
305.14847	3.6
306.05701	1.8
308.11148	2.0
310.12878	1.2
313.03320	0.8
315.13358	0.9
319.16113	0.6
326.12228	0.6
347.15952	9.5
395.15881	3.1
413.17154	4.1
421.09344	0.6
431.18134	3.0
467.09512	1.0
467.15494	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	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
53.78765	0.5
55.01866	1.1
55.05510	3.3
57.03420	4.3
57.07047	1.0
61.02927	2.8
61.03169	0.5
61.77139	0.5
67.05131	0.9
67.05492	19.0
69.03397	2.3
69.07062	6.2
70.06587	0.7
70.45181	1.2
70.45567	1.1
71.04965	1.9
71.57761	0.5
73.02877	1.1
77.45362	0.7
79.05479	8.6
81.03387	1.7
81.07040	24.1
81.94930	0.5
83.04946	2.0
83.08617	4.1
85.02888	4.0
85.06532	1.4
86.09645	0.7
87.04436	0.8
91.03926	1.2
91.05454	4.8
93.07029	16.8
95.04932	1.8
95.08591	6.0
97.02887	3.1
97.06506	5.2
99.08059	0.9
104.64659	0.5
105.07000	2.4
107.04874	0.6
107.08578	9.5
109.06484	1.8
109.10117	1.7
111.08052	2.1
111.11687	1.1
115.03873	1.7
117.06964	2.4
119.08548	1.4
121.06431	0.5
121.10108	8.3
123.11664	1.5
127.03900	1.2
131.08565	3.2
133.04941	1.9
133.10107	2.5
135.08060	1.1
135.11671	4.0
137.05899	0.7
142.69502	0.6
145.04915	0.6
149.09633	0.6
149.12088	1.0
149.13228	15.6
150.13556	0.6
155.12309	0.6
159.11665	7.0
164.07098	0.7
177.12762	3.6
195.13776	6.1
205.85625	0.6
210.24118	0.5
213.14832	0.9
259.07471	0.6
259.55722	0.6
269.17422	100.0
270.17685	2.0
287.18350	0.6
304.05151	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
53.46791	0.6
55.01855	0.7
55.05505	4.2
57.03431	5.5
57.07072	0.8
61.02902	1.9
61.66050	0.5
67.05495	16.7
68.34904	0.6
69.03416	1.5
69.07060	6.8
69.90562	2.0
69.90976	1.6
70.06557	0.9
71.04964	1.6
73.02879	1.9
79.05479	8.9
81.03398	3.4
81.07044	32.1
83.04960	2.6
83.08598	5.7
85.02909	4.5
85.06525	1.4
86.09686	1.0
91.03963	1.4
91.05461	4.5
93.07034	19.6
95.04935	1.7
95.08592	12.1
97.02863	2.4
97.06523	4.4
97.07057	0.8
97.10191	0.7
99.04435	0.8
99.08081	1.5
103.05429	1.7
105.07006	2.9
106.07364	0.7
107.04942	0.6
107.08575	10.7
109.02859	1.3
109.06508	1.2
109.10133	1.8
111.04404	0.6
111.08059	2.2
113.09601	0.9
114.09100	0.8
115.03874	0.7
116.01633	2.1
117.06990	2.2
119.08593	1.5
121.10123	7.2
123.08080	4.7
123.11666	1.1
127.03889	1.6
131.08536	2.4
133.04964	0.8
133.10086	3.2
135.08107	0.8
135.11679	3.2
137.13268	3.2
144.01091	0.7
145.04936	0.6
145.10133	0.8
147.11714	0.8
149.13245	14.3
151.11140	0.8
153.07307	0.9
159.11684	7.0
162.02229	1.8
177.12718	3.0
195.13745	4.5
213.14853	0.8
226.08977	2.3
269.17441	100.0
270.17719	1.1
274.11743	0.6
284.09637	0.7
303.04883	1.0
304.05331	2.4
304.13806	1.0
427.53049	0.6
431.22968	1.1
467.18289	1.2
474.93112	0.6
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
53.03934	2.0
55.05488	2.0
57.03415	8.1
57.07034	1.5
59.04977	2.3
61.02918	2.3
67.05491	5.6
69.03418	35.5
69.07063	3.1
70.06586	1.9
71.04988	1.4
71.79904	1.7
72.08156	1.2
73.02901	1.2
75.70145	1.4
79.05473	5.3
81.03402	4.3
81.07045	80.5
83.04959	2.0
83.09867	1.3
85.02892	35.5
85.03386	2.2
86.09674	1.5
87.04453	23.1
91.05466	2.8
93.07034	3.4
95.04970	2.0
95.08589	10.5
97.02879	33.7
97.03461	2.6
97.06516	1.6
99.04427	3.8
105.07036	2.7
107.08554	2.7
109.02876	4.1
109.10143	1.4
114.09142	2.3
115.03915	43.5
119.08575	3.3
123.08080	2.1
124.03940	5.0
127.03837	6.6
133.04947	47.7
133.10115	3.5
136.06174	1.5
136.07622	1.5
136.17696	1.2
137.05959	4.7
137.13234	100.0
143.08559	1.3
145.04915	11.5
145.05997	1.3
145.06532	1.2
150.07594	6.4
151.04002	1.5
154.05051	1.4
159.39279	1.3
163.06007	4.5
175.07593	1.4
200.14331	1.6
218.09009	1.9
223.05879	1.6
241.06958	1.7
251.19807	1.6
259.08121	4.4
269.17545	1.4
269.21155	3.1
277.09146	3.1
287.22281	1.4
295.10251	7.5
303.05063	2.5
304.05429	5.9
317.19513	3.6
349.22549	1.3
357.36664	1.3
466.17706	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	466.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.1
55.05449	2.8
57.03375	0.8
59.05897	0.7
67.05441	1.7
69.03381	1.7
69.07061	3.8
70.06544	1.1
72.08097	1.1
79.05416	2.9
80.90068	0.7
81.03374	1.1
81.07050	3.4
85.02829	2.8
86.09653	1.7
91.05469	5.8
93.06966	2.8
95.04911	0.9
95.08520	2.4
97.02810	2.0
98.20657	1.6
99.04389	0.8
103.05418	1.1
105.07005	9.8
107.08582	8.9
108.04441	1.0
109.02846	1.1
109.10132	1.8
114.09064	1.3
115.05395	1.1
117.05706	1.7
117.06918	2.1
118.06467	1.5
119.08564	29.6
120.08015	0.8
121.09383	0.7
121.10115	9.3
127.03833	2.2
130.06502	5.5
130.08537	0.8
131.08444	0.9
133.10117	9.7
136.03914	20.3
137.05898	1.0
139.41600	0.9
144.08017	1.6
146.05913	3.1
147.11601	1.5
149.13228	4.5
151.03842	1.8
154.04980	11.9
154.06364	2.1
155.07213	1.7
156.07983	0.8
165.06989	0.8
167.07216	10.5
167.08501	2.8
168.08060	41.4
169.05008	5.2
169.08691	2.2
170.06024	1.4
170.09575	3.4
172.07512	0.8
175.13380	1.0
175.14798	14.3
177.05460	0.8
179.07181	1.5
179.86438	0.7
180.08057	22.5
181.08817	11.4
182.08115	1.3
182.09630	18.6
183.10307	1.7
184.07416	1.6
184.11177	7.0
188.07048	4.5
192.42690	0.8
193.08824	3.8
194.09625	75.9
195.10294	6.8
196.11191	8.8
198.09096	2.2
203.10620	0.9
204.08028	1.5
205.08759	0.8
207.06761	10.5
210.09090	1.7
212.10670	7.5
214.08673	1.4
218.09546	1.0
220.07541	1.0
222.09102	47.6
223.09470	1.9
225.07788	2.9
232.11084	1.7
235.13437	2.5
235.55881	0.8
238.08598	1.1
240.10164	59.0
241.10390	2.1
246.12732	2.1
248.14267	1.1
250.15883	1.7
257.12772	1.6
258.10910	4.0
258.13321	1.9
261.14951	0.9
262.15689	1.0
267.08774	1.0
274.16019	0.8
280.08105	2.8
284.09100	1.1
286.12537	1.7
298.09180	8.6
303.04990	3.9
304.05295	6.3
304.20441	1.1
306.14847	2.2
307.15634	1.5
314.15637	0.9
318.09653	0.9
319.71292	0.8
334.21567	1.5
344.11237	100.0
345.11554	4.7
362.21060	16.6
391.80634	0.7
411.16751	1.0
421.66415	0.8
422.22876	1.1
448.18073	0.9
466.22232	25.9
467.22888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.393
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05500	16.9
57.07071	6.9
57.15403	1.7
58.66929	1.3
62.22229	1.3
67.05495	11.4
68.50070	1.3
69.03393	2.6
69.07061	23.2
70.12737	6.6
70.13156	2.8
71.08633	3.5
79.05477	4.2
81.07041	18.1
83.08597	15.9
85.10192	1.7
89.06017	5.9
91.05479	5.2
93.07023	9.8
95.01330	1.7
95.04931	2.7
95.08587	17.3
97.10159	16.9
105.03348	7.4
105.07030	6.0
107.08582	6.5
109.06501	2.3
109.10133	13.4
111.08052	6.1
111.11703	2.4
111.41917	1.6
113.92392	1.4
117.07008	2.0
119.08562	12.9
121.06490	3.1
121.10160	6.2
123.04400	5.2
123.08040	4.1
123.11691	7.1
125.09605	1.8
133.08582	3.2
133.10172	3.1
135.11696	4.5
137.05978	1.9
137.09575	12.2
137.13222	4.0
139.07520	22.3
147.08023	2.7
147.11732	3.1
149.13293	2.4
151.11205	5.8
153.09085	3.9
159.11751	2.8
161.13260	1.9
165.05455	2.3
165.09096	37.0
165.10403	2.4
165.12715	4.1
173.13255	1.6
174.81677	1.4
175.14775	3.2
179.03389	7.0
179.10680	1.9
179.14362	3.5
181.12285	1.8
183.10178	2.9
184.56802	1.5
189.12677	1.6
193.15863	3.9
197.04515	6.3
203.18045	1.6
237.99533	1.5
243.10223	4.8
257.08041	12.1
283.17398	1.6
303.04932	9.9
304.04974	1.5
379.19028	3.0
401.37628	3.1
419.38928	4.2
426.11850	1.7
429.37292	3.3
447.29068	3.0
447.38251	26.9
465.30322	6.9
465.39423	100.0
466.39734	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	465.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50760	0.4
53.03918	0.4
55.01870	8.1
55.05504	21.0
57.03153	0.8
57.03426	9.5
57.07064	8.8
58.03751	0.6
60.27399	0.4
67.05492	10.6
69.03394	0.7
69.07057	25.2
70.46263	0.9
70.46618	1.8
71.08619	5.3
73.02901	5.0
79.05476	5.9
81.07042	10.5
82.07365	0.6
83.04958	0.8
83.08605	19.8
85.02886	1.2
85.10165	2.5
91.05450	2.0
93.07024	7.7
95.04938	1.0
95.08587	6.6
97.06512	3.4
97.10147	14.3
98.98450	54.6
99.08059	0.5
105.06996	1.8
107.08573	4.3
109.10136	4.2
111.08063	1.8
111.11694	3.3
116.99469	2.2
119.08571	1.2
121.10125	6.1
123.11670	1.8
125.09563	0.8
125.13242	0.8
129.05460	3.2
133.10052	0.7
135.11668	3.7
136.99991	2.9
137.13205	0.9
140.01042	0.7
147.11641	0.6
149.13252	1.4
155.01018	48.5
159.11626	1.1
163.14764	0.5
173.11900	0.6
179.03413	0.7
193.02553	1.0
196.03764	0.8
197.04408	0.7
203.17932	0.9
211.03607	2.4
219.20993	2.0
229.04756	3.3
237.22113	9.3
255.23097	0.5
257.07922	0.8
273.99600	0.5
303.04871	4.9
304.04974	0.6
311.25754	100.0
312.26218	2.6
364.60367	0.5
391.22516	0.9
447.24976	19.7
447.31003	1.2
465.29794	1.6
465.36023	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	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05499	0.7
57.03413	0.7
58.95666	0.2
61.02909	0.7
62.03057	0.2
65.03927	1.0
67.05506	0.5
69.03427	1.2
69.07048	1.0
69.85175	0.2
70.06584	0.5
70.69284	0.4
70.69682	0.5
71.04972	0.3
71.58698	0.3
72.08162	0.5
73.02896	0.5
78.02496	0.2
79.05479	0.5
81.03402	1.2
81.07040	0.9
83.04974	0.4
84.08125	0.3
85.02894	2.6
86.09682	0.8
87.04469	0.2
89.03925	0.3
91.03934	0.6
91.05463	0.9
92.05001	0.8
93.07024	1.0
94.06556	0.2
95.04955	0.6
95.08601	0.7
97.02887	1.4
97.06512	0.4
98.20815	0.2
99.04458	0.5
99.08076	0.2
101.05985	0.6
105.07012	0.7
107.04919	0.7
107.08554	0.5
109.02850	0.8
109.06488	0.3
109.10137	0.5
110.06029	0.2
111.04380	0.2
119.08555	0.5
120.08097	1.0
121.06488	0.3
121.10099	0.4
123.04450	0.3
123.11626	0.3
124.03932	0.3
124.07572	0.4
127.03906	1.7
127.14912	0.2
131.08495	0.5
133.10147	0.5
134.06000	0.5
135.04408	0.3
135.11670	0.3
136.06145	0.3
137.02322	0.9
137.05981	1.2
138.05481	14.7
138.09117	6.4
143.08627	0.2
145.02824	0.7
145.04895	0.4
145.10069	0.5
147.04401	0.6
147.11688	0.3
148.03918	0.3
148.05122	0.3
149.06006	0.3
150.09125	1.0
153.01807	0.9
157.10033	0.3
159.11627	0.2
160.07581	0.9
161.05986	0.3
161.13135	0.3
163.05054	0.3
164.07007	0.3
166.04979	19.1
167.05356	0.3
167.07074	0.4
169.08888	0.5
172.11116	0.3
174.09117	0.4
175.07591	0.4
177.05426	1.3
177.10226	0.5
181.08545	1.9
184.11198	1.0
186.12758	0.4
189.09192	0.3
193.00555	0.2
196.09778	0.4
196.11363	0.3
198.09145	0.4
200.09375	0.5
201.10255	0.4
202.08727	0.2
205.06389	0.3
211.12227	1.0
212.10728	1.5
213.13829	0.6
214.08731	0.3
214.12303	2.2
216.10077	0.3
218.20030	0.2
219.10185	0.4
229.04936	0.9
229.09721	0.7
229.13255	2.0
230.11725	1.7
232.13281	2.2
239.11798	1.2
240.10150	1.0
241.10902	0.3
241.13326	0.5
242.11925	2.1
243.11223	1.2
244.09644	0.5
244.12080	0.3
246.09918	0.2
256.08392	0.9
257.04413	0.5
257.09473	1.1
257.12833	7.8
258.11172	0.3
259.11960	0.8
259.14423	0.3
260.12839	2.3
261.12405	0.3
267.11273	0.9
267.25897	0.2
268.09760	0.6
272.11523	9.8
273.12210	0.3
274.09439	6.6
275.10226	1.4
275.13879	5.4
285.03683	0.4
285.12292	13.6
286.10629	0.7
303.05069	14.0
303.13351	100.0
304.05359	0.9
304.13669	2.4
307.86719	0.2
328.45883	0.2
341.13947	0.3
351.59436	0.2
414.33621	0.3
429.16580	0.5
447.17838	1.1
465.18857	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	465.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.7
55.05480	0.6
57.03408	0.6
65.03896	0.4
65.34012	0.4
67.05511	0.5
69.03409	2.2
69.07035	0.6
70.03717	0.6
70.06558	0.8
71.01289	0.4
71.79028	0.7
71.79417	0.6
72.62766	0.5
73.02878	1.5
78.35719	0.5
79.05452	0.4
81.03400	2.1
81.07011	0.5
83.93616	0.5
84.04469	0.9
85.02895	4.3
86.03191	0.5
86.09666	0.7
91.05460	0.9
95.04908	0.4
97.02869	3.2
98.03130	0.4
99.04392	0.7
105.06979	0.9
105.10809	0.5
108.47295	0.4
109.02852	1.3
109.07597	0.6
111.00776	0.6
111.04427	0.7
114.09156	2.4
115.09435	0.8
117.41761	0.4
120.08054	0.6
121.02792	1.4
127.03852	1.6
127.08652	2.2
129.10056	0.7
131.04944	0.6
133.04904	0.7
136.02939	0.7
136.03912	7.2
137.02290	1.9
137.05922	1.1
141.05351	0.4
141.51941	0.5
141.63669	0.4
145.02826	1.5
145.04926	1.4
147.04352	1.0
149.05873	0.5
151.02808	0.7
151.03894	8.1
153.01782	1.9
153.05383	0.9
154.04962	1.3
161.05884	0.5
162.06703	0.9
163.03867	1.0
163.06018	0.8
165.01845	1.2
171.07892	1.1
172.05034	1.1
172.08669	8.0
173.09370	0.9
174.10172	0.8
177.05495	2.9
178.04904	1.5
178.08572	1.1
179.08905	0.6
183.02908	0.5
186.06590	0.6
186.10187	1.2
187.07384	7.4
188.08162	1.0
190.09718	0.8
198.06641	1.3
199.07399	5.0
200.08186	2.5
201.05333	0.9
206.04407	1.0
214.09650	0.6
216.07634	8.2
216.10014	2.8
218.09122	0.7
229.04820	2.2
243.08734	100.0
244.09509	58.1
244.12207	0.5
245.09949	2.0
257.04434	1.3
257.10291	5.3
259.11325	0.5
267.19373	0.8
276.62259	1.8
280.08218	0.9
285.03989	1.1
285.13568	3.7
285.63776	0.7
303.04950	48.0
304.05304	3.3
319.76514	0.6
334.77634	0.5
360.14047	0.7
361.14209	0.6
362.13589	0.7
377.14261	1.3
378.15274	73.4
379.16006	35.6
380.16348	1.9
402.75262	0.5
430.12177	0.8
447.14981	8.0
448.15445	0.9
448.83258	0.5
465.10040	0.8
465.15750	9.9
465.28854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35403	0.1
55.01862	0.3
57.03417	0.7
61.02920	6.6
65.03952	0.2
68.99788	0.6
69.03416	1.1
71.57813	0.3
71.58151	0.2
72.44320	0.1
73.02905	1.7
75.41095	0.2
81.03398	0.6
85.02379	0.3
85.02892	6.1
91.03948	3.3
93.03364	0.4
95.04958	0.3
97.02882	3.5
99.04448	0.3
109.02877	0.8
111.00788	0.9
115.03915	0.4
121.02840	1.0
123.04458	0.2
127.03911	0.9
135.04414	0.2
137.02333	3.7
145.04919	0.8
145.71710	0.2
149.02379	0.3
151.07504	0.2
153.01810	4.4
161.05942	0.2
163.03899	0.6
165.01822	2.1
166.02516	0.4
173.05977	0.6
183.02852	1.0
183.04375	0.4
187.03931	0.4
201.05457	2.3
205.05002	0.2
219.03006	0.3
219.06607	0.3
229.04915	4.5
247.06001	0.7
257.04419	2.8
274.04639	0.5
275.05380	0.2
285.03882	1.3
303.04953	100.0
304.05292	2.7
444.35858	0.2
478.92319	0.2
488.61444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1018
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03928	0.5
54.75402	0.2
55.01848	0.5
57.03421	0.5
61.02906	1.4
68.99770	0.4
69.03415	2.8
70.25552	1.0
71.04986	0.3
73.02892	0.6
73.06868	0.2
75.64391	0.2
77.56575	0.2
79.12473	0.2
81.03406	1.5
85.02891	9.9
87.04419	0.3
91.03936	0.5
93.03398	0.2
95.04932	0.3
97.02872	3.1
97.63879	0.2
99.04414	0.6
105.93985	0.2
109.02856	1.4
111.00767	0.7
121.02808	0.6
127.03899	1.8
128.91875	0.2
135.04404	0.3
137.02328	3.1
145.04965	1.7
149.02216	0.3
153.01810	3.4
155.04860	0.3
161.05969	0.3
163.03860	0.6
165.01811	1.7
166.02548	0.3
168.85768	0.2
173.05997	0.4
183.02786	0.5
183.04286	0.3
201.05446	1.5
205.04904	0.2
207.02826	0.3
219.06445	0.3
229.04929	4.3
247.05978	1.0
257.04410	2.5
274.04700	0.5
285.03806	1.5
303.04938	100.0
304.05270	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01871	0.6
57.03433	0.9
61.02916	2.3
66.24109	0.1
68.99776	0.5
69.03416	2.7
69.64184	0.8
71.04961	0.4
73.02909	0.7
81.03401	1.6
83.01343	0.2
85.02892	9.3
87.04446	0.3
91.03935	1.0
93.03386	0.2
97.02876	3.4
99.03602	0.1
99.04420	0.6
101.02402	0.1
109.02853	1.5
111.00774	1.0
121.02835	1.2
123.04411	0.2
127.03008	0.2
127.03902	2.2
135.04398	0.1
137.02310	3.2
137.03333	0.3
145.04936	1.8
145.06137	0.2
149.02318	0.3
149.69864	0.1
153.01807	3.8
153.03047	0.2
155.04922	0.3
161.05966	0.3
163.03926	0.6
165.01801	1.9
166.02594	0.1
173.05937	0.6
177.05385	0.2
181.08578	0.1
182.08890	0.2
183.02850	0.9
183.04291	0.2
187.03897	0.4
195.02885	0.2
198.62810	0.1
201.05420	1.7
203.02422	0.1
205.04950	0.2
207.02858	0.2
211.03804	0.1
215.03368	0.1
219.02818	0.1
219.06538	0.3
220.34215	0.1
228.04169	0.2
229.04913	4.2
230.05270	0.1
239.03494	0.2
245.04500	0.1
246.05151	0.1
247.05969	0.7
257.04416	3.0
274.04688	0.8
275.05432	0.3
285.03876	1.4
286.04395	0.1
303.04938	100.0
304.02100	0.2
304.05310	2.6
315.04971	0.4
345.05917	0.2
369.06076	0.2
397.98288	0.1
447.09100	0.2
465.10028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89864	0.3
55.01862	0.4
55.05492	0.7
56.96556	17.2
57.03422	1.0
61.02912	1.2
64.79299	0.3
65.93650	0.3
68.96548	0.4
69.03426	2.6
69.07062	0.4
69.71360	1.7
69.71779	0.6
70.06590	0.6
71.04984	0.6
71.95251	0.7
72.08157	0.8
73.02895	1.0
73.06535	0.5
77.79617	0.3
81.03413	1.1
81.07027	0.4
84.08139	0.7
84.96027	3.7
85.02897	5.7
85.87361	0.3
86.09703	0.5
87.04444	0.7
91.05477	0.6
95.04987	0.4
97.02885	2.8
98.97569	83.2
99.04433	0.6
99.51435	0.3
99.97894	0.4
101.00885	0.3
102.97005	0.5
104.68299	0.3
107.04969	0.5
109.02876	1.0
110.97549	3.7
112.99147	0.6
114.09174	0.8
116.98605	70.6
119.00157	0.5
119.01906	1.8
119.04933	1.6
121.06443	0.4
127.00701	0.4
127.03881	1.8
128.98593	8.5
129.02188	0.4
130.08601	0.6
131.00174	1.9
131.01895	0.9
133.03439	0.5
133.06447	0.6
134.99638	33.2
135.04340	0.4
136.00029	0.5
136.06235	0.7
137.05948	4.2
138.05406	0.4
138.06329	0.5
140.00180	2.9
140.07057	0.8
140.98592	1.1
143.00185	1.9
143.01903	2.2
144.02025	0.5
144.98087	1.1
145.01691	2.0
145.04938	1.5
146.99632	8.6
147.01405	0.4
147.03259	2.8
147.04411	3.5
149.01210	2.0
152.24971	0.3
152.98581	1.0
153.00670	3.3
155.01959	1.0
155.04625	1.9
157.01672	0.4
158.01228	1.9
158.99637	37.9
160.00005	0.5
160.09636	0.4
161.01221	4.2
161.02942	5.7
162.03120	0.7
162.99069	1.5
163.02744	3.6
163.03938	1.5
164.05135	0.4
165.00710	1.8
165.04317	3.9
167.02301	0.5
167.07059	1.2
170.99629	3.6
171.03241	3.8
173.02931	1.2
173.06570	1.0
174.06653	0.4
175.02759	1.2
176.02444	0.3
177.00690	57.8
177.56078	0.3
178.00986	0.7
179.02287	0.9
179.07014	1.1
181.00175	0.4
185.06531	1.0
186.04318	0.7
186.99123	0.8
189.00742	3.2
189.04317	16.4
191.02252	0.8
191.05861	0.6
191.07614	0.7
193.03795	1.1
195.01752	4.5
200.02351	3.5
201.00670	1.9
201.02492	0.5
201.04355	0.9
201.06068	0.4
203.04024	0.5
203.05829	0.7
203.07635	0.5
204.05507	0.5
205.00169	1.3
205.03773	0.4
207.01724	0.5
207.05353	4.1
212.06006	0.8
215.05814	0.5
217.00217	0.4
218.98436	0.4
219.01752	10.7
219.05183	0.7
219.07411	0.5
221.05031	1.4
223.01129	0.5
223.04858	0.5
223.07095	0.4
227.07120	0.4
231.05293	2.7
237.02797	25.4
238.03169	0.5
241.54321	0.4
242.03452	0.5
243.05356	0.4
245.04810	0.4
248.56326	0.3
249.06438	1.1
250.06996	0.4
253.04178	0.4
255.03770	1.6
257.08344	0.7
258.08768	0.7
259.08359	0.6
260.04349	1.0
265.06131	0.4
272.10101	0.5
275.09741	1.1
276.09738	0.5
291.07465	27.9
292.08731	1.5
293.10803	2.0
294.10895	0.7
303.04819	0.7
309.08533	100.0
310.08954	3.1
316.06989	0.5
320.98093	0.3
325.10507	0.6
327.09387	0.5
329.58487	0.4
332.06265	0.6
332.10144	8.1
335.06699	0.4
335.11688	1.5
336.12009	2.7
337.07883	0.4
338.60132	0.5
339.10449	0.6
347.11346	0.3
351.09576	1.1
403.09085	9.3
404.09143	0.6
421.10034	2.8
421.15048	0.5
423.02744	0.4
437.16806	0.4
447.08075	31.9
448.08356	1.3
465.08978	17.4
465.15756	1.2
466.09265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.05498	0.2
69.03410	0.5
70.06560	0.3
70.11956	0.3
70.12366	0.7
75.04472	0.2
78.04703	0.2
79.05459	0.2
81.03387	0.8
84.08130	0.2
85.02891	1.2
86.09673	0.4
87.00810	0.2
91.05481	1.3
91.43993	0.2
95.04929	0.6
95.06095	0.3
96.08114	0.2
97.02866	0.7
98.21367	0.3
99.04415	0.3
105.06964	0.2
106.02896	0.5
107.04939	0.8
109.02842	0.3
109.06479	0.5
114.09152	2.4
120.05680	0.2
120.08089	0.2
120.34722	0.2
121.06501	0.4
123.04435	1.3
124.03939	0.4
127.03890	0.4
130.08659	0.2
135.04396	0.2
136.05167	0.6
137.05957	3.1
138.06749	1.5
138.10225	0.4
145.02834	0.2
146.08060	0.2
147.04381	0.5
148.05168	9.2
149.05965	0.2
151.03906	1.1
153.01770	0.3
163.03894	0.2
165.05380	0.2
166.06215	0.6
167.06950	0.2
181.08569	100.0
182.08888	2.3
183.65434	0.2
201.05359	0.3
220.87616	0.2
229.05025	0.4
249.14865	0.2
250.07094	0.3
259.06085	0.3
269.10541	0.2
303.04941	4.9
464.15051	0.2
464.28961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	19.7
57.03411	1.5
57.07071	8.6
65.46378	1.2
67.05176	2.0
67.05499	20.9
69.03434	1.6
69.07063	34.1
71.08607	3.8
71.79541	1.7
79.05490	11.4
81.06596	2.1
81.07046	30.1
82.47133	1.4
83.04967	1.8
83.08609	20.1
85.06513	2.4
85.10155	3.3
90.56757	1.5
91.05453	6.0
93.07028	9.6
95.04928	2.1
95.08594	44.9
97.10152	11.3
105.07040	6.8
106.43423	1.4
106.94524	1.2
107.07979	1.7
107.08586	15.1
107.13162	1.4
109.06483	2.2
109.10142	16.7
111.08097	2.0
111.11713	8.0
119.08533	6.6
121.10145	11.3
123.08055	18.9
123.11679	8.3
125.09618	2.8
125.13211	1.9
131.08557	1.8
133.06491	8.9
133.10107	5.3
135.08043	9.1
135.11681	5.6
137.09604	20.9
137.13231	5.1
145.10115	2.4
147.11664	1.9
149.09579	5.1
149.13248	2.9
151.07527	16.8
151.11127	1.7
153.09087	4.1
157.10056	1.9
159.11739	2.9
161.13242	1.9
163.11165	1.8
165.05502	8.3
169.08583	100.0
173.13266	2.2
175.14694	1.9
177.09109	1.9
177.12764	2.5
181.08615	12.4
187.14824	2.2
191.10622	1.6
191.14238	1.4
201.12701	1.4
203.14355	1.6
219.10184	6.5
221.11745	4.7
225.04509	1.6
231.13672	2.1
237.11130	9.1
237.14836	4.3
249.14677	1.9
287.16309	5.8
293.20908	1.4
305.17810	2.6
305.21024	1.6
307.22778	3.0
319.22763	1.6
321.24033	1.7
349.27444	2.4
359.22125	3.3
363.28860	1.5
377.23279	1.8
389.30664	1.9
399.36166	4.7
401.37759	3.7
417.37112	9.9
427.35638	4.2
445.36899	6.9
463.31830	7.1
463.37701	2.8
478.13565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3775
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.11906	6.6
55.05510	46.3
57.07064	69.1
58.60073	5.3
65.03918	7.2
67.05494	21.3
69.07053	94.9
71.08623	58.3
74.23219	5.5
77.71744	5.1
79.01208	5.5
79.05470	20.9
81.07043	53.9
83.08607	60.5
85.10165	20.7
91.05451	25.4
93.07032	42.9
95.04945	7.5
95.08596	53.6
97.06479	7.5
97.10149	45.8
105.07004	31.4
107.08574	53.8
109.06483	20.4
109.10114	30.6
111.08062	12.2
111.11695	25.2
119.08566	46.8
121.06483	8.5
121.10113	25.4
123.08031	15.0
123.11662	16.8
125.13240	12.9
129.06920	6.6
131.08554	14.2
133.10115	27.9
135.05244	6.6
135.08012	37.1
135.11662	14.3
137.05942	10.9
137.09592	14.3
137.13283	6.5
143.08507	6.3
145.10094	23.5
147.07974	9.8
147.11658	23.8
149.09610	14.1
149.13284	9.5
151.07524	15.2
151.14841	8.1
159.11655	16.8
161.09598	9.6
161.13239	34.4
163.11169	8.3
165.12735	7.7
167.06967	8.0
171.11581	14.6
173.13322	8.1
175.11131	14.5
175.14868	9.8
177.09068	22.1
181.08580	26.7
187.14786	11.1
189.12744	18.4
189.16364	11.4
203.14291	13.5
221.11751	12.7
235.13324	9.0
237.11143	9.8
249.14653	10.6
259.20529	6.4
291.19519	7.4
307.29691	6.9
319.22653	9.8
333.24069	11.8
347.25961	7.8
357.34988	37.5
375.36124	10.7
385.34280	7.0
389.30417	11.8
399.36328	32.9
417.37192	25.2
427.35709	38.7
445.36676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03934	3.5
55.01870	4.1
55.05505	19.9
57.00537	0.7
57.03440	6.8
57.07069	3.5
64.86166	0.7
65.03932	3.7
67.05495	81.9
68.05821	1.3
69.03413	1.7
69.07058	25.5
71.01337	1.1
71.04981	6.4
77.03899	0.9
79.05482	53.3
80.05811	1.1
81.03407	5.6
81.07043	97.0
82.07368	1.6
83.04967	10.3
83.08603	16.4
83.09066	1.3
85.06514	5.2
91.05463	30.0
92.05793	1.2
93.07031	72.4
94.07384	1.6
95.04955	12.0
95.08593	27.3
97.06516	14.9
97.10159	3.9
98.20712	1.6
99.08075	4.2
105.04499	1.0
105.07014	12.3
107.04935	3.1
107.08575	36.6
108.08907	0.7
109.06517	4.9
109.10130	5.8
111.08057	7.9
113.05998	1.2
113.09640	1.7
116.59771	0.7
117.07000	10.1
119.08566	8.0
121.06480	3.4
121.10130	22.0
123.08086	1.2
123.11694	2.6
125.09618	2.5
125.17647	0.8
127.07572	1.0
129.06976	1.5
130.07724	0.8
130.75655	0.7
131.08546	12.4
133.10115	8.9
135.08052	2.7
135.11679	14.9
135.12735	0.7
137.09622	1.2
139.07494	1.0
139.11188	2.8
143.08527	1.2
144.09311	1.2
145.06577	0.7
145.10117	4.2
147.08008	1.2
147.11694	2.7
149.09573	1.3
149.13237	45.7
150.13628	1.1
151.11188	2.4
153.09134	1.2
157.10103	1.7
159.11674	19.4
159.12921	1.4
163.11192	2.4
167.14282	1.5
171.11711	1.6
173.13264	1.3
177.12703	9.1
181.12241	0.9
191.14320	0.8
195.13779	18.1
213.14870	3.3
219.13704	4.8
220.10547	0.8
227.12816	2.9
237.11319	1.2
251.16353	0.9
269.17468	1.0
353.24728	1.3
371.25955	1.1
389.27008	2.0
445.25281	1.0
445.29681	2.5
463.30594	100.0
464.30933	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	463.3046
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03935	3.5
55.01865	4.4
55.05503	17.6
57.03429	7.7
57.07067	3.9
61.87960	1.1
65.03931	2.6
67.05495	73.4
69.07060	30.7
71.04975	5.9
71.08620	1.3
71.80109	1.3
79.05482	46.0
79.86966	1.1
80.05805	1.3
81.03417	3.7
81.07046	98.6
82.07333	1.1
83.04964	7.8
83.08611	17.6
85.06538	5.8
86.79257	1.0
91.05467	28.8
93.07034	70.3
95.04955	11.3
95.08588	24.2
97.06524	11.7
97.10164	2.6
99.08092	4.6
105.07011	12.9
107.08575	38.0
109.06531	5.1
109.10146	8.2
111.08061	7.6
117.07001	11.2
119.08533	6.4
121.06498	2.8
121.10118	21.8
123.08082	1.9
123.11682	6.0
125.09649	1.3
127.07584	1.4
129.06990	1.6
131.08542	13.3
133.10103	12.0
135.08034	3.6
135.11682	11.1
139.11095	1.8
143.08542	1.7
145.10085	2.7
147.08017	1.4
147.11714	3.1
149.09662	1.7
149.13237	41.2
150.13560	1.3
151.11185	1.5
157.10147	1.7
159.11662	17.5
161.09636	1.3
161.13315	2.1
163.11290	1.5
165.05473	6.7
173.13303	1.7
177.12717	9.6
179.06937	1.3
191.10799	1.5
195.13788	17.5
198.18753	1.0
213.12946	1.2
213.14902	3.3
219.10161	4.3
221.11797	3.0
222.52232	1.0
229.12257	1.5
233.15530	2.0
237.11169	6.1
243.10207	1.1
243.89651	1.0
251.16449	1.6
265.76935	1.1
285.09802	1.3
287.16501	4.9
305.17535	1.7
335.25818	1.4
343.22876	1.7
353.24857	1.5
359.22198	3.6
371.26096	1.9
377.23395	1.6
389.26929	2.6
392.29749	1.1
445.29227	5.1
463.30591	100.0
464.30917	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	463.3046
Annotation	Dacryhainansterone
Peak:m/z	Relative Intensity
50.54991	1.4
53.03933	3.8
55.01872	2.9
55.05506	24.3
57.03417	9.0
57.07045	2.5
58.38410	1.5
65.03922	2.9
67.05490	67.1
68.05825	2.0
69.07054	24.0
69.53888	15.9
71.04982	4.5
79.05006	3.0
79.05476	53.7
81.03385	4.6
81.07039	74.5
82.07381	1.8
83.04964	4.9
83.08610	14.7
85.06520	3.9
90.05780	1.4
91.05460	68.1
92.05834	1.7
93.07028	54.2
95.04954	11.7
95.08585	40.1
97.06516	6.7
97.10104	3.8
98.21394	2.8
103.05441	3.6
105.07009	60.5
106.07388	1.6
107.04939	5.3
107.08575	31.3
109.06489	8.4
109.10143	15.4
111.08086	4.7
115.05386	2.7
117.06995	31.4
119.08555	41.1
121.06503	7.4
121.10111	18.2
123.08038	4.3
123.11678	3.0
125.09661	3.0
128.06177	5.0
129.06973	22.2
131.08537	49.9
133.06483	3.3
133.10092	28.3
135.08008	7.6
135.11720	9.4
137.09618	2.2
139.11157	2.8
141.06982	6.5
143.08551	20.3
144.09210	1.5
145.06490	4.4
145.10110	29.7
147.08044	6.7
147.11656	7.3
147.12808	1.7
149.09587	7.3
149.13242	10.5
151.11234	2.8
154.07712	1.6
155.08530	12.2
157.10089	13.1
159.08026	2.6
159.11668	15.7
161.09601	3.8
161.13228	2.6
163.11183	2.1
167.08565	3.8
169.10091	12.2
171.07974	1.7
171.11652	10.0
173.13235	6.2
177.05489	3.1
177.12691	4.4
181.10095	5.3
183.11694	6.9
185.13284	7.2
187.11163	3.4
187.14848	4.4
195.11679	4.0
195.13724	4.0
197.13223	6.1
199.14847	3.7
201.12746	2.2
207.11668	2.2
209.13280	5.3
211.14798	4.1
213.12657	2.3
217.15860	2.1
221.15306	1.8
223.14824	3.7
225.16269	2.9
227.14439	2.6
233.15424	2.9
237.16496	2.5
241.15953	2.5
243.17390	1.9
247.16928	2.6
259.17075	3.6
261.18503	3.6
273.18390	3.8
315.23230	1.8
325.21674	2.1
325.25269	6.0
335.23672	7.8
343.26147	13.8
344.27023	2.4
353.24677	36.1
354.24945	2.2
361.27502	1.7
371.25717	41.8
389.26804	48.4
417.29724	1.6
427.28220	6.0
445.29431	100.0
446.29651	8.0
463.30490	85.3
464.30801	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.0
55.01858	8.3
55.05507	32.6
57.03410	8.8
57.07058	6.5
65.03929	6.6
67.05497	91.2
69.03424	5.3
69.07066	34.3
69.72721	3.4
69.73136	15.2
71.04972	8.9
79.05483	70.0
80.05815	2.9
81.03407	9.6
81.07047	100.0
83.04974	9.0
83.08608	21.5
85.06525	8.2
91.04907	3.8
91.05469	65.2
92.05761	2.7
93.07033	83.5
94.07338	2.1
95.04961	18.4
95.08595	46.0
96.05255	2.3
97.06520	12.0
97.10161	5.7
98.82126	2.3
99.08077	2.9
103.05430	3.8
105.07023	59.2
107.04950	11.3
107.08575	44.8
109.06489	8.4
109.10143	22.8
111.08054	10.5
115.05384	5.1
117.06997	27.7
119.08572	35.6
119.84602	2.4
121.02755	2.2
121.06472	7.9
121.10120	30.3
123.04382	2.4
123.08006	5.3
123.11678	6.3
125.09622	3.0
129.07011	20.4
131.08546	49.4
133.09161	3.0
133.10114	33.0
135.07980	4.8
135.11667	20.9
136.11995	2.8
137.09572	4.0
141.06946	9.1
143.08534	14.9
145.06364	3.2
145.10123	28.3
147.08005	7.3
147.11632	7.9
149.09589	6.2
149.13261	23.4
151.11159	4.8
155.08507	7.3
157.10127	15.0
159.08072	2.7
159.11688	25.3
161.13300	3.6
163.11147	6.2
165.05469	19.9
167.08528	2.7
169.10075	10.8
171.11665	7.7
173.09584	2.9
173.13228	2.9
175.14828	4.0
177.12770	5.5
181.10129	3.4
183.11615	3.9
185.13226	6.3
187.14787	7.2
193.12199	3.5
195.11763	3.8
195.13762	10.8
197.13226	5.3
199.14764	3.5
209.13275	2.3
211.14845	5.3
217.15903	3.1
219.10139	12.4
219.13655	2.9
221.11694	10.1
227.12675	4.8
229.16074	2.7
233.15240	4.0
235.16853	2.6
237.11115	14.0
247.16957	4.4
253.14299	4.6
255.17545	2.7
259.17044	2.3
261.18439	4.2
287.16299	9.0
305.17487	4.2
325.25156	4.4
335.23648	7.3
343.22552	4.0
343.26248	7.9
353.24649	16.6
359.22125	7.4
371.25839	28.0
389.22391	2.5
389.26862	31.5
401.26678	2.3
445.29550	83.1
446.29626	2.8
463.30756	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	463.3048
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03918	5.5
53.19735	1.2
55.01847	2.9
55.05263	1.7
55.05506	21.0
57.03433	7.5
57.07060	4.7
65.03917	3.2
67.05496	78.4
67.90424	1.1
69.03413	2.0
69.07060	29.7
71.04989	6.9
77.03905	1.6
79.05480	52.5
81.03402	3.2
81.07043	94.3
83.04959	7.9
83.08607	18.4
85.06528	4.8
91.05468	40.9
93.07030	73.9
95.04953	12.5
95.08591	29.2
97.06523	11.2
97.10154	3.8
99.08054	2.5
105.03349	2.1
105.07017	32.9
107.04942	3.0
107.08583	37.2
109.06489	4.6
109.10136	8.8
111.08064	7.5
113.09647	1.6
115.05466	2.7
117.06996	17.2
119.08559	19.1
121.06474	4.5
121.10125	21.7
123.08023	1.6
123.11703	10.2
125.09635	2.2
128.06194	1.5
129.06981	10.1
131.08543	28.7
133.06549	2.0
133.10103	17.8
135.08032	4.5
135.11676	13.5
137.09572	1.9
139.11151	2.0
141.06978	4.4
141.09113	1.5
142.07753	1.6
143.08549	9.4
145.10080	10.8
147.08023	3.1
147.11638	3.7
149.09616	4.2
149.13229	32.1
151.11125	2.3
153.05498	3.0
155.08508	2.5
157.10141	7.9
159.11661	17.0
160.12019	1.8
161.09601	2.1
161.13098	1.6
163.11194	3.0
165.05450	27.3
167.08487	1.5
167.14326	1.7
169.10060	3.3
171.11707	2.5
173.09575	3.6
173.13231	2.2
177.05536	1.7
177.09129	4.2
177.12686	5.6
181.10074	2.2
183.11668	3.4
185.13249	1.9
192.69009	1.2
195.11844	3.4
195.13733	17.0
197.04399	1.6
197.13274	3.3
199.14813	1.8
211.14818	2.0
213.14842	3.8
215.14371	1.4
219.10133	19.7
221.11647	13.6
221.13362	1.5
227.14420	1.6
237.11162	26.5
241.15823	1.6
247.16898	1.6
287.16422	12.3
290.34988	1.4
297.18491	1.3
305.17429	8.0
325.25131	3.0
335.23694	5.0
343.22559	3.1
343.26364	3.1
353.24707	15.5
359.22131	10.6
371.25809	18.8
377.23303	3.6
389.26743	16.5
390.26993	1.9
427.28439	2.2
445.29514	42.8
446.29910	3.8
463.30530	100.0
464.31094	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	463.3046
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03938	3.8
55.01864	2.4
55.05502	17.2
57.03433	5.1
57.07063	2.0
59.24091	0.7
62.63149	0.7
65.03925	3.1
67.05491	72.1
68.05809	0.8
69.03423	1.1
69.06672	1.4
69.07054	26.3
70.82452	0.8
70.82804	2.0
71.01334	0.9
71.04971	5.5
72.79652	0.7
79.05480	48.9
81.03417	5.6
81.07040	94.9
82.07389	1.4
83.04971	7.8
83.08602	18.7
84.08919	0.7
85.02882	0.7
85.06516	4.0
87.84092	0.6
91.05462	31.5
93.07026	69.4
95.04945	10.5
95.08590	25.2
95.09191	1.5
97.06516	11.6
97.10157	3.2
99.08045	3.3
105.04443	0.7
105.07004	12.1
107.04908	1.1
107.08572	34.9
108.08972	0.9
109.06528	3.5
109.10127	6.6
111.08072	8.8
113.05992	0.9
113.09639	1.4
115.05469	1.3
117.06992	12.5
119.08550	6.7
121.06483	2.5
121.10127	18.1
123.08070	1.9
123.11679	3.6
125.09554	0.9
129.06992	2.6
131.08551	13.4
133.10107	16.1
135.08041	2.9
135.11665	11.1
139.11119	1.4
140.89500	0.6
141.06906	0.7
143.08551	2.2
144.09338	0.8
145.10091	2.9
147.08011	0.9
147.11649	2.7
149.09554	1.9
149.13232	36.3
151.11171	3.0
153.09189	0.7
155.08537	1.4
157.10146	1.6
159.11664	14.8
165.12837	0.8
165.54161	0.6
167.14326	1.3
171.11638	1.6
173.13240	1.5
173.17415	0.6
177.12691	8.9
195.11884	1.1
195.13770	23.2
213.13040	0.8
213.14752	3.6
227.12695	1.0
233.15343	0.7
251.16351	1.2
253.14375	2.2
267.16354	0.7
277.20776	0.7
335.23300	0.7
343.26505	1.4
353.24704	1.9
371.25812	3.9
389.26852	1.9
445.29648	7.0
463.30527	100.0
464.30984	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.0
55.01858	8.3
55.05507	32.6
57.03410	8.8
57.07058	6.5
65.03929	6.6
67.05497	91.2
69.03424	5.3
69.07066	34.3
69.72721	3.4
69.73136	15.2
71.04972	8.9
79.05483	70.0
80.05815	2.9
81.03407	9.6
81.07047	100.0
83.04974	9.0
83.08608	21.5
85.06525	8.2
91.04907	3.8
91.05469	65.2
92.05761	2.7
93.07033	83.5
94.07338	2.1
95.04961	18.4
95.08595	46.0
96.05255	2.3
97.06520	12.0
97.10161	5.7
98.82126	2.3
99.08077	2.9
103.05430	3.8
105.07023	59.2
107.04950	11.3
107.08575	44.8
109.06489	8.4
109.10143	22.8
111.08054	10.5
115.05384	5.1
117.06997	27.7
119.08572	35.6
119.84602	2.4
121.02755	2.2
121.06472	7.9
121.10120	30.3
123.04382	2.4
123.08006	5.3
123.11678	6.3
125.09622	3.0
129.07011	20.4
131.08546	49.4
133.09161	3.0
133.10114	33.0
135.07980	4.8
135.11667	20.9
136.11995	2.8
137.09572	4.0
141.06946	9.1
143.08534	14.9
145.06364	3.2
145.10123	28.3
147.08005	7.3
147.11632	7.9
149.09589	6.2
149.13261	23.4
151.11159	4.8
155.08507	7.3
157.10127	15.0
159.08072	2.7
159.11688	25.3
161.13300	3.6
163.11147	6.2
165.05469	19.9
167.08528	2.7
169.10075	10.8
171.11665	7.7
173.09584	2.9
173.13228	2.9
175.14828	4.0
177.12770	5.5
181.10129	3.4
183.11615	3.9
185.13226	6.3
187.14787	7.2
193.12199	3.5
195.11763	3.8
195.13762	10.8
197.13226	5.3
199.14764	3.5
209.13275	2.3
211.14845	5.3
217.15903	3.1
219.10139	12.4
219.13655	2.9
221.11694	10.1
227.12675	4.8
229.16074	2.7
233.15240	4.0
235.16853	2.6
237.11115	14.0
247.16957	4.4
253.14299	4.6
255.17545	2.7
259.17044	2.3
261.18439	4.2
287.16299	9.0
305.17487	4.2
325.25156	4.4
335.23648	7.3
343.22552	4.0
343.26248	7.9
353.24649	16.6
359.22125	7.4
371.25839	28.0
389.22391	2.5
389.26862	31.5
401.26678	2.3
445.29550	83.1
446.29626	2.8
463.30756	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	463.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05497	1.6
56.05031	4.3
57.03413	3.2
58.99290	1.3
58.99573	14.5
67.05490	0.9
68.05001	2.1
69.03410	1.5
69.07053	2.4
70.02946	12.7
70.06569	1.8
71.45271	0.9
72.08160	0.9
73.01114	0.7
74.00645	2.1
74.02428	1.4
74.81125	0.7
76.02219	21.3
78.92949	0.7
79.05472	3.1
80.05000	0.8
81.03402	1.6
81.07047	15.0
83.04983	0.8
83.06086	1.6
83.08595	0.8
84.04492	14.9
84.08130	1.0
85.01117	4.1
85.02865	1.6
86.00642	7.6
86.99046	8.6
87.02673	6.8
87.05578	9.8
88.02184	1.0
88.03989	4.6
94.06548	1.2
95.08595	5.8
96.04486	0.9
96.08127	1.3
97.01100	1.7
97.06504	3.4
98.02374	1.4
98.09669	7.9
99.00810	1.3
99.01408	0.7
99.08049	2.3
101.00589	1.2
104.01685	4.9
105.07005	2.1
108.08114	0.9
110.09660	2.0
111.08044	0.9
113.04210	5.9
113.07065	0.7
114.03768	0.8
115.05775	1.6
116.03425	1.6
122.05951	0.8
122.09579	3.5
123.08034	1.7
123.10377	1.2
124.03935	1.5
127.05780	2.0
129.06557	5.7
129.07382	1.3
130.03180	1.3
130.04982	4.1
130.06850	4.1
130.08540	0.9
131.02731	1.6
133.06065	15.2
136.03885	0.8
137.05925	0.8
139.05756	3.6
142.03209	3.0
142.04993	2.3
145.06833	1.6
146.05989	1.2
153.06604	0.9
154.08632	0.7
156.08405	30.7
157.06818	16.0
163.03893	7.9
170.02780	1.6
170.04440	2.8
173.03828	1.9
174.02171	8.4
174.05440	1.0
174.09470	19.1
181.06123	1.4
184.07777	1.7
185.05629	1.5
187.05434	1.5
187.07103	1.4
196.09708	2.2
199.07198	0.8
201.03259	1.7
202.01668	16.1
202.08885	1.4
210.11259	4.0
212.07076	1.2
213.12334	5.5
215.04715	1.0
217.02922	0.9
219.04330	10.6
233.05920	3.7
236.06961	5.6
242.08055	1.3
256.06281	1.6
260.09140	2.4
273.09003	2.0
278.10217	2.8
284.06964	1.1
285.12634	6.9
299.10568	9.7
302.08121	1.2
309.94250	0.9
313.12152	9.1
316.13205	100.0
317.13431	2.4
331.13110	13.4
365.11258	1.4
400.15042	1.3
445.17099	2.6
446.15823	1.8
463.18423	17.7
464.18622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	6.3
57.03426	3.7
58.99850	7.1
61.02915	3.7
67.05481	6.1
69.03408	10.3
71.04970	3.4
71.78755	3.4
71.79160	3.2
72.08131	3.5
73.02923	2.6
77.00893	12.8
81.03372	3.0
82.99866	3.5
84.08112	3.0
85.02892	24.1
85.06550	17.9
87.33503	2.2
94.92999	7.4
95.01936	4.2
95.04955	10.2
97.02869	8.2
98.97570	4.8
101.00864	13.4
103.02440	4.1
105.10316	2.7
114.09167	3.7
115.02422	6.1
117.03994	3.4
119.01910	100.0
127.03905	12.2
129.03981	4.7
131.01891	5.2
131.05522	17.6
132.99834	5.2
133.03493	17.7
134.99564	3.0
135.05032	3.9
137.02948	45.3
142.03481	3.9
143.01889	14.7
143.05516	27.3
144.99782	6.3
145.03470	9.1
145.04903	7.3
145.07063	2.9
147.05003	10.9
149.02924	2.8
149.06583	43.7
151.00858	12.2
151.04483	7.0
155.01877	3.5
159.05011	11.5
161.02959	56.5
161.06587	72.6
161.07927	5.2
163.00885	5.7
163.04439	4.3
163.08159	11.8
165.02393	3.2
167.55547	2.5
168.99889	3.9
169.12498	2.5
170.60837	2.5
171.01439	5.1
171.05002	15.2
172.99345	6.8
173.02971	17.8
173.06599	17.3
175.00906	12.0
177.00890	2.9
177.02422	7.6
177.06099	5.5
179.04002	3.9
184.08124	3.5
185.02922	3.6
185.06563	27.7
187.00844	17.7
187.04472	4.4
187.08156	8.3
189.02461	11.4
189.06042	39.6
189.09839	2.8
191.00403	5.8
191.03987	23.9
191.07680	7.1
193.01904	21.9
198.98520	15.7
199.00862	8.1
199.04535	4.7
201.00648	2.7
201.02480	2.8
202.88637	2.9
203.03987	6.3
203.07616	25.6
205.01939	18.5
205.09193	6.1
207.03679	2.7
207.07115	58.9
211.04410	4.2
212.07762	2.7
213.02444	4.5
213.05962	17.5
214.05612	2.5
215.00325	5.4
215.07655	7.0
215.21600	2.7
216.99763	5.5
217.01947	9.6
217.05545	5.0
218.99937	3.3
219.03532	9.7
223.02921	4.8
227.04025	4.2
227.07643	8.9
229.05540	7.9
231.03479	7.9
231.07054	45.1
231.09065	3.6
232.54153	3.2
237.02882	3.1
239.03973	4.3
243.07114	6.0
244.90266	6.1
245.05078	10.3
245.08656	3.3
247.02927	5.8
249.08141	13.1
251.02399	4.0
254.08624	2.6
257.05008	39.7
257.07910	2.8
257.08789	2.8
259.03018	8.8
259.06549	7.5
261.08127	7.4
263.05942	3.6
265.03925	6.3
271.06622	8.5
273.08029	35.0
275.06104	28.7
285.04669	7.7
285.08154	5.9
289.04251	5.5
289.07608	13.0
291.05780	4.7
291.09161	7.6
293.07153	4.5
299.06033	29.9
301.01575	2.9
301.07706	13.8
303.09119	17.5
307.05066	9.4
317.07132	45.8
319.08743	3.9
329.07153	8.2
331.08664	15.5
333.06650	5.7
341.06778	3.5
345.06723	7.7
347.08224	9.2
359.08234	9.1
375.07556	12.3
377.09244	4.8
387.07944	5.2
403.07315	14.1
419.09674	3.9
433.08163	6.3
463.13162	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	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01857	3.9
55.05504	28.4
56.67985	1.6
57.03434	9.7
57.07064	5.0
62.72546	1.9
65.03932	4.7
67.05494	62.4
69.03412	5.9
69.07063	28.3
69.56830	17.3
69.57231	4.1
71.01351	2.2
71.04989	7.6
75.85439	1.7
79.05482	58.0
81.03406	26.1
81.07043	57.4
81.33417	1.8
83.04957	11.0
83.08612	21.1
85.02880	2.4
85.06534	5.7
87.04438	2.0
91.05469	48.7
93.07034	65.8
95.04957	32.7
95.08595	50.7
97.02875	4.1
97.06509	8.6
97.10143	18.5
99.08077	3.3
105.07005	43.2
107.04958	9.4
107.08578	49.7
109.06510	5.8
109.10135	24.9
111.08072	5.9
115.05435	1.9
117.06995	16.8
119.04969	2.6
119.08558	53.4
119.09389	2.8
120.08900	1.9
121.06501	11.4
121.10117	28.6
123.08052	9.0
123.11696	9.9
125.09604	8.8
127.07551	2.3
128.06189	5.5
129.07019	15.1
131.08540	27.4
133.06494	5.9
133.10109	34.6
134.10493	2.2
135.08049	7.6
135.11679	29.3
137.09572	9.5
137.13214	3.7
139.11174	5.5
141.06985	3.4
142.07776	3.2
143.08546	15.9
145.06432	9.9
145.10106	38.5
147.08041	6.5
147.11649	22.2
149.09607	5.7
149.13234	13.6
151.11183	5.0
153.12759	2.9
155.08510	7.3
157.06429	2.9
157.10141	13.0
159.08066	3.8
159.11658	33.7
161.09616	4.9
161.13263	8.0
163.11165	9.5
163.14795	24.6
165.09161	4.0
167.08559	3.1
169.10133	7.9
170.10873	2.1
171.08080	3.8
171.10341	2.5
171.11671	15.3
172.12393	2.2
173.09627	7.9
173.13225	11.2
173.78276	1.8
175.09761	1.8
175.11180	7.8
175.14844	10.5
177.12772	6.1
177.16412	6.7
179.14357	2.1
181.10092	3.7
181.15891	15.2
181.26070	1.7
183.11705	6.2
184.12354	1.9
185.13229	8.5
187.11195	4.5
187.14824	13.4
188.15169	2.1
189.09233	2.8
189.11188	3.4
189.12730	4.6
189.16379	7.0
191.14290	4.4
191.17804	2.7
193.12248	9.4
195.13875	2.2
197.13263	4.2
199.11124	2.1
199.14774	17.6
201.12717	2.2
201.16368	46.6
203.14297	3.2
203.17943	2.7
205.15814	13.3
207.12048	2.0
207.13690	9.5
211.14944	3.4
213.12892	2.8
213.16302	13.3
215.17834	9.5
217.15906	5.6
219.17422	23.5
223.14964	3.4
223.16891	2.7
225.16428	5.0
227.17923	4.9
231.17435	3.2
237.18478	5.1
239.14272	2.4
243.17462	9.9
245.19055	2.1
249.14873	3.1
261.18530	8.5
273.15033	1.9
273.18423	1.9
323.23618	2.3
333.22189	3.7
341.24750	3.0
351.23062	9.1
369.24255	16.5
387.25095	6.4
389.32037	4.3
399.32373	2.2
405.26279	2.5
407.33084	31.6
408.33087	2.4
425.34122	43.9
443.27841	23.8
443.35110	23.1
444.28046	2.2
461.28860	100.0
461.36014	30.9
462.29254	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	461.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61871	3.2
55.01851	4.4
55.05510	37.0
57.07071	31.8
61.63906	2.7
65.03909	4.1
67.05505	32.4
69.07059	59.2
70.20213	3.0
70.38142	5.8
70.38494	12.5
71.04980	37.1
71.08628	17.1
78.44902	2.7
79.05476	15.0
80.82826	2.6
81.07049	100.0
83.08612	47.4
85.06533	2.7
85.10178	9.9
91.05478	11.2
93.07048	20.8
94.10343	3.1
95.08605	74.4
97.06538	3.4
97.10167	29.3
99.04432	11.9
99.08064	3.6
105.07021	16.7
107.08573	22.9
109.06506	16.0
109.10149	53.0
111.08120	3.5
111.11722	19.1
111.12378	2.9
119.08546	15.8
121.06577	2.9
121.10132	20.0
123.08040	5.4
123.11709	27.6
125.05977	82.7
125.09565	3.2
125.13283	8.1
127.03904	39.1
127.11234	3.1
133.10135	9.0
135.08032	7.5
135.11661	10.0
137.05968	80.0
137.09604	13.2
137.13245	13.9
139.11090	3.3
145.10117	9.9
147.11674	5.5
149.06015	5.8
149.09631	12.3
149.13220	8.1
151.07521	13.8
151.14775	7.7
154.96622	3.1
157.10147	3.6
159.11684	4.9
161.09500	3.1
161.13297	3.8
163.11156	13.3
163.14810	8.9
165.09111	93.6
165.16420	4.2
167.07024	50.8
171.11725	6.7
173.09631	10.7
173.13203	5.1
173.94168	2.6
175.11179	10.5
177.09103	11.3
177.16325	3.7
179.07021	10.3
183.11687	4.5
187.11140	6.5
189.12660	3.9
191.10646	10.7
200.75348	3.3
201.12807	4.4
203.10724	5.1
203.14319	3.8
205.12267	11.1
208.73564	3.3
213.12910	3.9
215.14343	5.5
217.12035	3.1
219.10086	5.8
219.13730	4.2
225.64346	3.2
229.15648	3.4
235.13235	5.1
317.31985	8.2
383.33228	4.5
397.34720	7.1
401.34213	14.8
407.32996	3.8
425.34033	8.4
443.28653	5.0
443.35129	27.5
461.29059	4.0
461.36200	13.5
482.82205	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	461.3619
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
55.01862	7.3
55.05505	33.9
57.07066	26.1
57.90841	3.0
63.37508	3.1
67.05496	32.0
67.67025	3.2
69.06725	5.6
69.07058	61.7
71.04980	30.9
71.08617	18.3
71.80211	3.5
73.26842	3.3
75.49252	2.8
79.05486	20.2
81.07043	93.0
81.07532	5.4
83.08604	34.7
85.06534	6.5
85.10177	10.5
91.05459	12.7
93.07021	22.0
93.74438	3.1
95.04939	4.9
95.08596	66.7
97.06510	4.7
97.10144	27.2
99.04440	17.2
105.06995	9.4
107.04971	5.6
107.08575	20.6
109.06497	15.3
109.10135	47.6
111.04430	4.8
111.08062	6.1
111.11702	19.1
119.08570	16.9
121.10099	18.2
123.08059	5.6
123.11677	27.8
125.05972	79.0
125.13246	8.4
127.03905	33.0
131.08540	8.7
133.10097	10.1
135.11681	13.9
137.05957	69.0
137.09578	8.0
137.13232	9.9
143.08482	6.6
145.10109	8.5
147.11629	5.9
149.09631	13.7
149.13234	6.1
151.07495	10.3
151.14801	8.0
157.10118	7.3
159.11671	8.7
161.13239	5.4
163.11194	14.6
163.14787	6.5
165.09100	100.0
165.16267	3.4
166.44691	3.7
167.07025	38.5
171.11638	5.4
173.09613	5.1
175.11240	7.4
177.09062	11.0
177.16353	5.5
179.06975	5.6
187.11162	5.5
189.12695	5.1
191.10654	9.6
191.17809	3.7
197.13275	5.7
199.11095	4.9
205.12180	14.3
219.13780	5.8
229.15891	3.9
243.13809	4.4
275.20001	4.4
317.31985	8.0
383.32715	4.9
397.34488	5.0
401.34036	14.3
425.33923	13.4
433.48483	3.5
443.28693	5.9
443.34991	26.5
461.29364	7.1
461.36319	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	461.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.05503	7.7
57.03412	0.9
57.07059	3.3
67.05495	13.6
69.03421	1.0
69.07058	10.5
71.04967	0.9
71.08618	1.4
71.80537	1.0
79.05481	5.3
81.07042	28.3
83.01307	0.6
83.04971	0.7
83.08607	4.9
85.02865	0.7
85.06535	1.2
85.10163	0.5
86.40211	0.5
91.05454	3.9
93.07032	6.0
95.04929	1.6
95.07991	1.1
95.08591	18.9
97.06495	0.9
97.10159	3.6
105.03422	0.7
105.07020	5.2
106.78601	0.6
107.08588	6.2
109.06484	1.2
109.10136	14.3
111.04437	0.8
111.08076	1.0
111.11703	1.7
117.06995	1.7
119.08568	7.0
121.06496	1.3
121.10121	5.4
122.07283	1.1
123.08069	1.1
123.11673	7.3
123.79404	0.5
125.09595	1.5
128.00749	0.5
129.06970	0.9
131.08530	2.8
133.10097	2.8
135.08029	4.0
135.11678	3.2
137.09602	10.0
137.13249	2.1
139.07515	1.0
143.08560	1.1
145.06400	1.2
145.10078	2.9
147.08029	0.8
147.11685	2.1
149.09595	12.9
149.13298	1.2
151.07527	2.4
151.11093	1.3
151.14731	1.1
153.09052	1.4
155.08499	1.0
157.10081	1.3
159.07979	0.8
159.11688	2.6
161.09560	1.3
163.07504	0.9
163.11151	11.0
163.14835	1.1
165.09093	100.0
166.09424	1.4
168.82547	0.5
171.11574	1.4
173.09590	3.0
173.13211	1.0
175.07562	0.7
175.11159	4.0
176.08304	0.8
177.09122	7.2
177.12717	1.3
179.10680	1.0
179.14194	0.6
187.11183	2.0
189.09062	1.8
189.12726	1.9
189.16473	0.8
190.09882	0.9
191.10632	7.4
197.13214	0.9
199.11212	0.6
201.12730	1.3
203.10585	2.7
203.14355	1.0
205.12216	8.9
215.14297	1.0
217.12218	1.3
219.13780	2.0
231.13806	0.7
233.15094	0.8
237.11089	0.9
263.16656	0.6
275.19913	0.7
289.21719	0.8
300.85117	0.7
303.15833	0.8
366.28708	0.6
369.24197	1.4
415.31470	1.4
415.36261	0.8
425.27188	0.5
425.28851	0.6
425.34082	4.9
443.28198	1.7
443.35071	16.8
444.36563	0.6
446.26523	0.6
461.28772	4.6
461.35184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
51.80345	0.9
52.81653	1.0
53.03933	3.3
55.01867	7.3
55.05504	26.4
55.62698	1.0
56.12536	0.9
57.03422	9.7
57.07067	1.3
57.84126	0.9
59.04984	1.1
59.30500	1.0
64.46105	1.1
65.03919	3.7
66.04683	1.0
67.05495	57.2
69.03413	4.5
69.07059	19.5
71.04980	4.1
72.52112	0.9
77.03963	1.3
79.05482	48.6
81.03403	5.8
81.07046	56.1
83.04970	4.4
83.08598	14.5
84.85796	1.0
85.06537	6.3
91.05466	61.4
92.05832	1.4
93.07030	42.1
94.07326	1.0
95.04961	16.0
95.08597	32.9
97.06528	6.1
97.10156	7.8
99.04451	1.5
99.08105	2.2
103.05450	3.4
105.07015	46.9
107.04930	13.7
107.08577	24.0
109.06496	10.9
109.10146	15.6
111.08051	3.7
115.05418	6.1
116.06237	1.9
117.07005	35.2
119.04916	2.6
119.08562	28.4
119.29115	1.2
120.45387	1.0
121.06471	11.9
121.10127	13.8
123.08026	6.7
123.11689	2.3
125.09600	6.4
128.06187	10.1
128.06944	1.2
129.06985	36.1
130.07741	2.3
131.04912	3.0
131.08543	53.5
133.06487	10.0
133.10109	19.3
135.08046	7.9
135.11668	7.0
137.09605	4.6
139.07503	1.3
141.06972	14.9
142.07741	4.8
143.08540	31.3
143.09610	2.2
144.09299	1.1
145.06464	14.2
145.10095	22.2
147.08031	12.1
147.11665	7.5
148.90506	1.0
149.09644	7.7
149.13211	3.2
151.11188	1.6
153.07024	2.3
154.07759	2.7
155.08554	23.8
156.09285	1.8
157.06535	5.0
157.10112	18.5
159.08035	8.6
159.11656	13.7
161.09616	6.0
161.13246	3.2
163.11154	4.2
165.07010	2.7
165.09146	2.5
166.07779	1.3
167.08528	10.3
168.09392	2.5
169.10097	16.8
171.08029	5.6
171.11673	14.7
173.09615	4.4
173.13260	4.0
175.09741	1.5
175.11180	4.7
175.14853	2.0
177.12703	1.7
178.07701	1.5
179.08545	3.8
181.10092	9.8
182.10780	1.3
183.08043	1.8
183.11670	11.6
185.09625	2.1
185.13205	9.7
187.11198	4.0
187.14755	3.1
189.11246	2.8
189.12802	1.2
189.16327	1.6
191.14186	1.3
192.09373	1.4
193.10120	4.4
193.12198	2.6
194.10970	1.4
195.11723	9.1
197.09636	3.0
197.13184	7.9
199.11157	3.1
199.14769	6.3
201.12721	4.3
201.16383	1.8
203.14278	2.3
205.12309	1.4
205.15773	1.2
207.11598	4.9
209.13275	8.2
211.11206	2.9
211.14825	4.8
213.12682	9.0
213.16362	2.8
215.14297	5.0
217.15761	5.0
219.13846	2.4
221.13336	5.7
221.15210	1.5
223.14853	7.6
225.12752	3.9
225.16350	3.0
227.14349	3.7
229.15912	3.0
231.13770	2.7
231.17421	2.3
233.13229	1.7
233.15317	2.5
235.14986	4.9
235.16914	1.1
237.16460	1.3
239.14316	4.7
239.17899	1.6
241.15988	2.9
243.13725	2.9
243.17477	2.0
245.15366	2.4
249.16562	1.7
253.15901	2.9
255.17529	1.8
257.15375	5.6
259.16922	4.5
267.17435	1.9
269.15253	1.6
271.16934	4.3
273.18481	2.1
275.16415	2.0
283.17007	1.2
285.18491	2.2
305.22614	2.0
309.18759	1.1
323.23538	8.1
333.22134	8.1
341.24658	13.7
351.23151	38.4
352.23441	2.2
359.25412	2.0
369.24185	65.2
370.24585	3.4
387.25256	37.2
388.25516	2.0
389.24451	1.2
405.26007	1.5
406.93729	1.1
407.25766	1.8
415.28247	3.4
417.26038	2.6
425.26871	4.8
443.21561	2.5
443.27875	79.5
444.27872	5.2
461.28900	100.0
462.29257	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	461.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98861	0.9
51.38799	0.9
53.03930	5.0
55.01850	3.5
55.05505	15.0
57.03416	3.8
57.07080	1.2
58.75135	1.0
65.03917	1.6
67.05132	1.8
67.05493	31.8
69.03434	1.5
69.07056	9.7
69.67162	3.1
69.67581	5.0
71.04964	3.2
79.05479	28.9
81.03404	33.9
81.07043	32.3
83.04963	5.1
83.08607	12.1
83.91242	1.0
91.05469	27.3
93.07030	27.7
95.04955	19.9
95.08598	12.7
97.06511	4.4
97.10161	6.4
98.21385	2.0
99.08074	1.5
105.07012	18.9
107.04954	8.2
107.08580	16.4
109.06487	5.0
109.10153	4.5
111.08066	3.6
115.05428	2.6
115.78862	1.0
117.07003	10.6
119.04939	1.6
119.08563	14.4
121.06467	8.3
121.10125	9.8
123.08049	3.4
123.11755	0.9
125.09621	4.1
128.06198	1.9
129.06981	10.6
131.08536	14.6
133.06462	5.0
133.10107	8.5
134.89285	0.9
135.08049	4.1
135.11673	4.9
137.09622	1.5
141.06987	1.9
142.07742	2.1
143.08542	6.0
145.06480	6.8
145.10100	7.0
147.08038	5.2
147.11684	4.2
149.09662	4.5
149.13251	10.7
151.11227	1.5
155.08569	2.5
157.06508	1.7
157.10100	8.5
159.08038	3.0
159.11682	6.7
159.12791	1.0
161.09569	1.8
161.13191	1.0
163.11188	2.7
167.08585	2.1
169.10149	3.8
171.08034	2.1
171.11748	3.0
173.09616	2.1
173.13228	1.3
175.11142	4.4
177.12733	1.7
179.08498	0.9
181.10040	1.4
183.11720	2.7
185.13194	1.3
187.11159	1.9
187.14789	2.1
189.09149	1.0
189.11232	2.8
193.12198	11.8
195.11789	2.4
195.13811	2.6
199.14737	3.1
201.12741	2.0
203.14111	1.0
207.11621	1.3
211.14809	1.1
213.12802	1.6
217.15872	5.0
227.12645	1.5
229.15959	1.4
231.13770	1.2
243.13885	1.3
249.14876	2.6
257.15347	1.3
295.51645	0.9
323.23779	1.5
341.24728	2.6
342.45773	1.1
343.22626	2.9
349.51617	1.0
351.23041	5.0
352.23541	1.1
361.23822	1.9
369.24197	16.8
387.25159	9.9
397.27905	1.0
405.26105	1.6
417.26276	5.3
443.27896	21.7
461.28912	100.0
462.28931	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	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44694	1.5
51.95446	1.6
53.03935	2.8
55.01859	5.4
55.05505	23.2
57.03432	8.0
57.07055	2.0
62.10682	1.6
65.03931	3.3
67.05493	54.5
69.03418	3.1
69.07058	18.5
70.84969	5.2
71.04984	6.3
73.06547	2.1
77.03912	1.7
79.05484	51.0
81.03394	9.0
81.07044	52.5
83.04968	7.1
83.08600	17.6
85.06528	3.7
91.05465	50.1
91.06033	2.3
93.07030	42.9
93.31985	1.5
95.04949	17.3
95.08593	31.0
97.06522	7.4
97.10155	8.0
103.05459	4.8
105.07017	45.9
107.04953	8.5
107.08575	20.5
109.06496	5.4
109.10141	17.0
111.08085	4.5
115.05444	4.2
117.06998	26.9
119.04929	2.8
119.08569	25.6
121.06509	12.0
121.10133	11.7
123.08036	7.7
123.11693	2.8
125.09616	6.6
128.06215	7.1
129.06995	32.2
131.04903	3.3
131.08549	39.4
133.06512	7.2
133.10126	15.1
135.08046	5.0
135.11673	8.7
137.09607	2.3
141.06961	11.8
142.07765	3.7
143.08549	26.3
145.06479	12.5
145.10107	20.7
147.08028	9.2
147.11678	8.8
149.09586	9.0
149.13243	4.1
151.07472	2.0
153.06979	3.9
155.08553	18.5
157.06444	3.7
157.10091	18.5
159.08035	5.3
159.11661	9.9
161.09598	3.1
163.11159	3.6
165.06958	2.1
167.08542	6.8
169.10106	12.0
170.10991	1.6
171.08005	3.6
171.11676	8.3
173.09648	4.6
173.11784	2.1
173.13229	5.2
175.11195	4.1
177.12727	3.8
179.08499	4.0
181.10040	9.1
182.10953	2.3
183.08249	2.3
183.11710	7.1
185.09558	1.8
185.13206	6.0
187.11174	3.4
187.14778	4.7
189.11163	2.8
191.14326	1.8
193.10143	4.5
193.12189	3.5
195.11726	8.7
197.13213	8.9
199.11060	2.9
199.14822	4.9
201.12692	3.4
207.11778	2.7
207.13777	1.9
209.13281	4.7
211.11218	2.2
211.14845	4.8
213.10950	2.0
213.12788	4.0
215.14296	7.7
217.15967	4.7
219.13783	1.8
221.13254	7.5
223.14818	6.3
225.12755	2.8
225.16539	3.0
227.14450	3.1
229.16077	2.5
231.17450	1.9
233.15302	2.5
233.97289	1.5
235.14796	3.2
237.16447	1.8
239.14366	5.0
239.17950	1.6
241.15938	2.7
253.15849	3.7
257.15311	5.1
259.16809	2.0
271.16913	4.9
275.16257	1.7
289.17905	2.6
315.20938	1.9
323.23688	6.0
333.21994	9.8
341.24796	6.6
351.23099	36.6
369.24197	35.6
387.25244	17.1
407.25800	2.7
415.28259	2.4
425.26691	4.2
429.69601	1.8
443.27911	65.9
461.28906	100.0
462.29102	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	461.2891
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03933	3.8
55.01873	5.2
55.05505	21.8
57.03426	6.7
65.03934	1.7
67.05498	32.8
69.03407	3.5
69.07065	9.9
70.13283	3.1
70.13694	2.1
71.04980	3.4
79.05485	34.2
79.55534	1.1
81.03410	19.1
81.07046	36.0
83.04986	5.0
83.08616	13.5
85.06517	3.0
91.05470	31.8
93.07028	28.8
94.22125	1.0
95.04955	22.7
95.08587	19.4
97.02898	1.5
97.06527	4.3
97.10168	11.0
98.20792	1.1
99.08070	2.4
103.05489	2.6
103.52892	1.1
105.03404	1.5
105.07019	23.9
107.04945	8.7
107.08581	16.7
109.06518	5.3
109.10149	8.2
111.04466	1.1
111.08078	4.0
115.05443	4.0
116.06219	1.1
117.06991	13.7
118.07293	1.0
119.04922	2.8
119.08566	13.0
121.06492	11.3
121.10134	8.8
123.08058	4.4
123.11719	1.0
125.09619	7.2
126.61207	1.1
128.06204	4.2
129.06990	15.3
131.04924	3.1
131.08551	19.5
133.06454	8.4
133.10104	8.3
135.08043	4.2
135.11670	5.0
137.09630	1.0
141.06976	6.7
142.07817	1.8
143.08516	11.7
143.10428	1.0
145.06477	14.0
145.10107	9.5
147.08043	8.5
147.11642	4.9
149.09612	5.9
149.13248	7.1
151.11255	0.9
155.08501	6.1
157.06480	2.2
157.10085	8.1
159.08012	5.5
159.11684	8.6
161.09592	2.8
161.13199	1.8
163.11156	2.2
167.08513	2.1
169.10106	5.1
171.08064	3.9
171.11644	5.6
173.09631	3.1
173.13268	2.0
175.11200	3.5
177.12715	4.9
179.08572	1.4
181.10080	2.5
183.08138	1.3
183.11684	2.7
185.09637	2.0
185.13235	2.9
187.11223	2.7
187.14862	1.6
189.09221	0.9
189.11198	3.3
189.12740	1.4
193.10571	1.2
193.12256	6.4
195.11681	2.6
195.13799	2.8
197.09610	1.0
197.13298	3.3
199.11238	1.2
199.14882	4.8
201.12630	1.5
205.12270	2.5
207.11766	1.8
207.13702	1.0
209.13324	2.1
211.11159	1.5
213.12665	1.4
215.14322	1.6
217.15805	6.4
225.12784	2.3
226.12570	0.9
227.12764	2.8
231.13890	2.0
235.16934	1.0
239.14487	1.9
249.14862	1.4
257.15408	3.7
259.17047	1.5
267.15747	1.4
271.16965	1.7
273.15192	1.5
273.18420	1.7
275.16428	2.9
323.23773	1.7
341.24811	3.3
351.23203	10.2
369.24225	26.0
387.25281	11.2
405.26038	2.3
407.25620	2.1
415.28580	1.3
417.26324	2.2
425.26563	2.7
443.27890	32.5
461.28943	100.0
462.29321	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34715	0.2
53.03922	0.3
55.05500	0.4
58.06571	0.3
63.45197	0.2
67.05486	0.2
68.33014	0.2
69.03406	0.7
70.06568	0.6
71.00194	0.6
71.00558	0.2
71.04968	0.4
72.08149	1.0
79.05467	0.8
81.03410	2.5
81.07024	0.4
83.04966	0.6
84.04482	0.3
84.08130	0.5
85.02888	1.8
86.09702	1.4
89.03900	4.1
91.05428	0.3
95.04942	0.4
95.66737	0.2
97.02863	0.6
99.04450	0.4
101.06023	0.6
105.07034	0.3
107.04968	1.7
109.02885	1.2
109.10094	0.3
114.09145	0.8
114.10291	0.3
116.07093	0.2
117.02533	0.4
117.03358	5.7
119.08582	0.3
121.02874	0.3
121.10075	0.3
122.06090	0.2
124.07610	0.3
127.03886	0.5
129.10257	0.2
130.08652	0.4
133.10123	0.4
135.04399	11.3
137.05968	0.5
137.08052	0.6
145.02827	10.6
147.04393	0.6
151.11168	0.2
158.97363	0.2
159.72939	0.2
163.03879	100.0
164.04207	1.3
167.14273	0.2
177.05473	0.8
181.03543	0.2
181.04958	2.8
190.12456	0.2
200.65169	0.2
200.96924	0.3
219.10031	0.2
234.98976	0.3
251.23099	0.3
258.14783	0.2
262.04175	0.4
263.04514	0.3
299.11188	0.3
307.08084	2.5
325.09137	5.6
368.99713	0.2
385.09485	0.4
461.14920	0.5
476.57074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92865	0.4
53.03921	0.5
55.01884	0.3
55.05489	0.4
57.03431	0.3
57.39286	0.3
58.06589	0.4
64.61321	0.4
64.63257	0.3
67.05495	0.3
69.03405	1.2
69.07056	0.3
69.51463	0.3
69.76855	2.0
70.06575	2.1
71.04969	0.6
72.08141	0.9
76.05234	0.4
79.05466	1.0
81.03386	1.3
83.04951	1.0
84.08121	0.5
85.02895	1.9
86.06033	0.4
86.09674	1.3
89.03893	3.9
91.05443	0.5
93.03407	0.3
95.04940	0.5
95.96069	0.3
97.02850	0.8
98.20769	0.5
101.06004	2.0
107.04929	2.1
109.02843	1.4
111.04416	0.5
117.03356	5.2
119.04903	0.6
119.07045	0.4
120.08106	0.4
124.07591	0.3
127.03919	0.7
129.10170	0.5
130.08643	0.6
131.04892	0.4
135.04378	14.1
137.05931	0.5
137.08041	1.3
145.02817	10.6
147.04361	1.5
163.03865	100.0
164.04205	1.4
177.05420	0.9
181.04933	2.5
201.68831	0.3
219.02910	0.8
220.03226	0.9
221.03337	0.9
227.04460	0.3
261.03836	1.4
262.04184	0.9
263.04373	1.9
275.04370	0.4
305.05496	0.9
307.08090	1.6
323.06812	0.3
325.09070	4.3
327.08380	0.4
329.09003	0.7
341.08813	0.5
349.94336	0.3
387.61438	0.4
395.10089	0.8
407.10068	0.4
452.24164	0.3
461.16125	0.4
461.24371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	13.5
57.07073	8.6
67.05489	26.2
69.07059	41.1
71.04974	7.9
71.08601	7.2
71.28810	16.3
74.95120	5.8
78.62594	7.1
79.05484	19.2
81.07036	100.0
83.08605	13.4
93.07053	33.7
95.08588	56.4
105.06985	20.1
107.08597	41.1
109.10129	54.5
119.08559	21.4
121.10120	38.8
123.11716	20.9
127.11180	18.2
131.08586	9.8
133.10127	19.8
135.11635	25.4
147.11697	25.4
149.13252	21.3
159.11636	10.3
161.13315	16.7
171.11629	7.7
189.16321	14.6
191.17709	7.6
215.18013	11.3
283.23981	8.1
289.94238	7.3
294.12289	7.3
328.73627	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	461.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13384	0.4
51.26548	0.4
53.03921	0.8
60.04521	0.4
60.47455	0.4
67.05481	0.6
69.03413	1.7
69.07046	0.8
69.54589	3.7
70.06577	0.9
71.04996	0.7
72.08133	0.8
72.25069	0.4
73.02843	0.4
78.04662	0.4
81.03422	2.5
81.07023	0.9
82.81120	0.5
83.68448	0.4
84.08125	0.8
85.02897	2.5
86.09698	8.0
88.71931	0.4
89.03893	5.0
91.05452	1.2
93.07058	0.7
95.06082	2.1
95.08591	0.4
97.02870	1.1
97.06474	0.6
98.20729	1.0
99.04428	0.6
105.07012	0.5
106.04169	0.5
107.04936	0.6
109.02863	1.4
117.03364	15.5
119.04906	0.7
119.08591	0.7
121.06468	0.5
123.08058	3.6
124.08379	1.9
127.03883	1.0
134.03606	1.0
135.04385	1.5
136.03900	0.8
137.05954	1.2
137.09584	0.6
138.10239	6.9
145.02829	45.7
146.03127	0.5
147.04384	1.4
149.05946	6.2
163.03868	2.0
165.09093	6.5
166.09438	5.0
167.06999	0.5
173.12807	1.2
177.05446	100.0
178.05775	1.5
186.05426	0.9
189.08884	0.5
195.06474	1.2
201.12346	2.0
215.13979	0.7
233.14970	0.6
234.90576	0.5
243.08528	0.5
261.04025	0.4
261.14435	1.9
263.12888	0.6
264.13077	2.3
265.34253	0.5
314.20566	0.5
321.09613	3.5
339.10767	5.0
412.41824	0.5
426.10223	0.5
461.14713	0.8
461.23969	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	460.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35963	4.7
54.68841	5.0
55.05500	17.5
57.07062	12.3
60.70118	4.4
67.05510	26.1
67.90749	4.8
69.07062	41.5
71.08620	5.1
71.11959	12.3
74.93275	4.2
79.05484	23.0
80.89952	5.3
81.06603	5.7
81.07054	100.0
83.08595	9.3
89.06017	8.0
91.05458	14.7
93.07031	26.4
95.08601	73.2
97.10133	6.6
105.07039	27.2
107.08578	49.2
109.06581	5.1
109.10125	44.7
111.11578	5.2
117.06990	8.9
119.08582	24.9
120.21942	5.4
121.10140	34.7
123.11695	22.3
131.08540	10.1
133.10092	16.5
135.11671	24.2
137.13274	11.0
145.10123	15.4
147.11652	15.0
149.13240	18.7
159.11668	16.0
161.13272	14.1
173.13300	11.3
175.14830	8.0
175.46422	5.0
177.16382	6.0
187.14822	7.6
189.16356	5.0
201.16364	10.4
201.95491	5.5
215.17889	10.2
229.19450	9.7
363.31131	11.5
407.36768	8.3
431.18094	6.5
460.22202	27.2
461.22928	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	460.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80716	5.0
55.05491	15.0
57.07058	10.3
58.93796	4.8
67.05486	29.6
69.07053	47.6
70.15919	26.3
74.78596	5.0
79.05476	13.3
81.06590	8.0
81.07043	100.0
83.08607	9.7
89.05975	4.9
91.05456	12.8
93.07030	42.6
95.08591	55.9
105.06993	36.7
105.14954	5.0
107.08572	37.7
109.10133	44.0
117.06967	7.3
119.08554	30.2
121.10129	34.0
123.11658	14.2
131.08545	10.4
133.10089	13.3
135.11684	26.7
137.13216	11.1
141.40240	5.1
143.08574	7.1
145.10110	23.3
147.11719	24.4
149.13206	14.4
157.10100	5.5
159.11670	19.1
161.13231	15.5
171.11697	6.2
173.13205	12.9
175.14801	9.3
179.34688	5.0
185.13242	6.0
189.16266	5.2
197.13174	5.2
199.14713	8.6
201.16353	8.9
215.17812	5.3
253.19502	5.1
257.22681	11.4
325.28729	7.5
407.36755	10.9
425.33899	6.2
460.22345	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	460.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.8
57.07071	17.1
58.66037	3.0
67.05497	33.7
69.07056	53.7
69.10587	3.1
71.04979	11.7
71.08607	3.5
71.80299	4.3
79.05490	24.6
81.07041	85.9
83.08607	10.5
85.06522	3.2
91.05473	32.0
93.07039	67.7
93.07598	2.6
95.04945	5.4
95.08600	100.0
96.44461	3.1
97.10144	7.1
97.23102	3.9
105.07022	33.4
107.08582	97.6
107.09316	5.4
109.06527	4.4
109.10144	69.9
111.08080	3.3
111.11713	7.1
115.67486	3.6
117.07006	5.0
119.08555	46.8
121.10130	64.5
123.11701	32.9
127.11185	6.7
131.08604	6.5
133.10089	28.6
135.11688	79.8
137.13239	11.6
145.10097	12.4
147.11678	21.5
149.13222	25.0
153.12746	11.8
159.11697	14.3
161.13261	17.2
163.14796	12.1
173.09605	3.6
173.13246	7.9
175.14830	14.3
177.16359	7.2
187.14793	10.0
189.16377	11.8
191.17908	25.9
201.16386	6.0
203.17979	4.5
203.77219	3.7
217.19591	4.2
229.19290	4.6
407.83469	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	460.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	13.6
55.05488	21.2
57.07050	17.4
57.26793	8.8
58.62402	8.5
59.04989	8.7
63.86847	8.9
65.51223	10.0
67.05478	41.5
69.07067	41.1
69.52119	66.8
69.52544	24.0
71.04968	14.4
78.41431	9.5
79.05489	26.5
81.07040	100.0
83.08594	23.0
91.05453	31.6
93.07024	86.0
95.08589	92.9
98.20718	14.9
105.07045	42.1
107.08578	82.4
109.10125	89.8
111.71143	8.1
119.08582	55.5
121.10121	64.8
123.11659	25.5
127.11184	10.2
131.08589	10.4
133.10098	45.0
135.11670	54.8
145.10103	23.5
147.11655	38.6
149.13249	33.0
151.11177	10.7
159.11617	23.4
161.13226	16.1
163.14786	13.1
170.82767	8.6
173.13260	18.6
175.14812	16.9
177.16385	9.7
189.16393	19.6
191.17776	8.7
201.16383	12.0
203.17934	15.0
363.31049	10.0
451.21350	8.8
460.22287	40.1
461.23102	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	460.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12803	0.3
53.03918	0.4
55.05474	0.4
57.03411	0.7
61.02897	0.4
64.90286	0.3
67.05477	0.6
69.03420	1.6
69.07042	0.5
70.06590	2.3
70.12954	1.8
71.04963	0.8
72.08134	0.9
73.02879	0.6
78.93416	0.3
79.05481	0.4
81.03378	1.1
81.07020	0.6
82.06573	0.4
82.27598	0.3
83.04948	0.7
84.04475	0.4
84.08108	0.9
85.02891	2.8
86.06026	0.4
86.09673	1.3
87.04450	0.4
89.05994	1.3
91.05444	0.5
91.50488	0.3
93.03400	0.3
93.07014	0.6
94.06555	2.3
95.04957	0.8
95.07332	0.4
95.08577	0.7
96.08095	1.0
97.02850	1.3
99.04439	0.4
105.07020	0.7
107.04920	0.7
108.08069	0.5
109.02815	1.0
109.06466	0.3
110.06035	0.7
111.04415	0.7
112.07547	0.5
114.05486	1.2
114.09121	0.8
119.04893	0.9
119.08542	0.4
120.08050	0.8
121.06475	0.6
122.06021	11.1
123.04404	0.7
124.07564	0.8
127.03869	1.3
130.08589	1.4
132.06506	0.7
134.05901	0.4
135.04395	0.6
135.06487	0.5
135.08008	0.6
136.03914	0.6
136.07521	0.9
137.02338	0.4
137.06013	0.4
138.05482	3.2
139.03856	1.1
140.06015	0.6
140.07042	7.8
141.01787	0.8
145.04878	0.4
147.04364	1.2
148.07431	0.5
150.05455	1.4
150.09094	0.5
151.03856	0.6
152.07056	2.8
159.07994	0.4
162.05453	0.5
163.03876	0.8
164.07034	0.7
165.05385	0.4
166.08595	1.0
167.07033	0.5
168.06525	0.6
170.04453	3.1
170.08228	0.4
177.05421	1.0
178.04973	1.9
178.08582	1.1
180.06573	1.7
180.10149	0.5
182.08061	0.8
187.07445	0.4
190.04999	0.3
195.02936	0.5
206.08066	0.5
207.06500	0.4
208.03093	0.4
208.05984	1.7
210.07582	1.8
219.02890	0.8
220.03113	0.7
224.09097	1.1
242.10257	0.5
252.08621	1.3
261.03918	1.0
262.04230	0.8
263.09219	0.4
265.32678	0.3
270.09689	18.2
271.09912	0.6
280.08160	0.8
281.10236	0.4
281.13873	0.4
284.65912	0.4
286.04181	0.5
298.09180	100.0
299.09488	3.4
303.04709	0.4
304.05295	0.8
307.15698	0.4
328.09122	0.4
331.56201	0.3
382.09698	0.6
394.09888	0.5
460.14438	47.9
461.14651	1.8
476.87842	0.4
489.99518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3828
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
50.83838	1.2
55.05499	12.2
57.03426	2.4
57.07072	7.5
57.67109	1.3
62.01061	1.3
65.03962	1.6
67.05495	24.9
69.03433	1.8
69.07056	19.0
69.33713	1.7
71.05000	1.5
71.08641	1.6
71.78893	2.5
78.20625	1.3
78.80472	1.3
79.05477	18.6
81.03415	5.2
81.07040	54.2
83.08601	10.5
85.06559	3.8
91.05457	18.7
91.05967	1.9
92.32690	1.3
93.07025	38.2
95.04969	6.0
95.08591	84.1
96.08942	2.4
97.06532	4.6
97.10160	6.8
99.08099	4.3
102.72310	1.5
105.07011	36.3
105.07688	2.0
107.04964	1.6
107.08581	53.1
108.08906	1.5
109.06544	4.5
109.10137	43.7
109.10863	2.4
110.10481	2.8
111.08115	5.6
111.11726	1.7
113.09637	2.4
117.07043	5.9
119.08562	45.8
119.09377	2.4
121.06513	2.4
121.10124	53.1
123.08088	4.9
123.11681	18.2
125.09646	3.9
129.07045	3.7
130.27831	1.4
131.08536	16.9
133.10115	32.3
135.08044	3.2
135.11659	32.9
135.12584	2.2
137.09657	5.0
137.13220	7.3
143.08566	5.7
145.06487	1.9
145.10106	23.1
147.08089	1.7
147.11674	28.5
149.09647	2.7
149.13239	20.9
149.14264	1.9
151.11220	3.1
151.14806	1.9
157.10062	6.5
159.08110	1.8
159.11665	21.1
161.09610	2.3
161.13245	27.3
161.14479	2.0
163.11212	3.0
163.14810	21.7
163.16154	1.6
165.12798	2.5
169.10182	2.3
171.11725	5.7
173.09647	2.3
173.13245	15.1
175.11230	2.6
175.14790	17.6
176.15329	1.4
177.12730	2.1
177.16377	11.7
179.14342	6.9
183.11774	2.3
185.13300	5.5
187.14809	16.9
189.16368	25.7
189.17946	1.8
191.14360	4.7
191.17909	59.3
193.12257	1.8
193.15923	6.3
199.14937	4.4
201.16405	13.8
203.14470	2.4
203.17924	27.2
205.15891	4.1
205.19502	8.2
207.17419	13.6
211.14845	2.5
213.16489	4.0
215.17894	13.9
217.15984	2.0
217.19475	9.4
219.10263	2.1
219.13863	2.4
219.17377	9.6
221.18961	14.8
223.17065	3.1
225.16684	1.5
227.18002	2.6
229.19565	3.0
231.21196	5.6
233.18915	10.8
237.18524	1.9
243.21185	2.1
245.22696	2.6
249.18532	2.8
251.20029	9.7
255.21133	1.3
261.22278	1.5
273.14996	1.6
283.24341	1.8
339.19717	1.5
357.20792	2.4
390.53082	1.7
391.21106	2.0
395.29315	3.1
405.31274	2.2
411.36176	26.1
413.34464	5.4
423.36548	13.8
429.37415	5.0
441.37741	27.7
459.28870	9.1
459.38562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3462
Annotation	Platanic acid
Peak:m/z	Relative Intensity
53.03924	2.1
55.05500	9.9
57.07063	4.0
65.03944	1.5
67.05495	15.0
69.03409	1.8
69.07049	12.4
69.58492	1.1
71.05003	2.3
71.79382	1.3
79.05483	11.2
81.03381	1.8
81.07042	29.8
83.04998	2.7
83.08597	6.0
85.06545	6.0
91.05459	17.0
93.07027	25.0
95.04955	3.6
95.08593	51.8
96.08933	1.8
97.06506	2.0
97.10148	3.1
99.08089	10.4
102.64253	1.1
105.07017	31.1
107.08576	42.1
108.08913	1.6
109.06522	4.2
109.10139	31.2
111.08048	9.4
117.06992	6.7
119.08564	48.2
121.06489	1.9
121.09243	2.0
121.10119	36.7
122.42863	1.3
123.08060	4.8
123.11696	12.2
125.09618	2.7
129.06975	2.7
131.08566	14.1
133.06477	2.9
133.10114	32.6
135.08067	3.9
135.11664	21.7
137.09605	4.6
137.13252	3.7
142.07727	1.6
143.08524	4.3
145.06473	1.6
145.10109	27.4
147.08009	6.2
147.11664	51.3
149.09604	4.9
149.13203	11.7
151.11186	3.7
156.09322	2.5
157.10147	8.5
159.11684	25.8
161.09599	4.7
161.13237	19.3
163.11130	7.6
163.14783	14.0
165.12814	2.0
169.10139	3.0
171.11676	7.9
173.13219	17.5
175.11186	4.4
175.14789	11.9
177.12686	3.7
177.16330	7.2
179.14310	2.0
183.11673	2.5
185.13193	7.0
187.14793	25.6
189.12766	4.2
189.16347	13.6
191.14310	5.7
191.17914	69.0
197.13298	2.7
198.13998	1.3
199.14809	8.4
201.16315	10.7
203.14328	10.3
203.17915	10.1
205.15833	19.4
205.19475	4.6
207.11760	1.6
207.17426	3.0
211.14853	1.8
213.16379	4.8
215.14346	1.8
215.17975	6.7
217.15858	17.1
217.19525	2.8
219.17346	2.7
221.19022	1.6
225.16350	2.4
227.17847	1.9
231.17426	1.5
233.15254	1.7
233.19041	3.9
235.16885	5.4
241.19403	2.3
253.19690	1.5
259.20523	1.7
267.20889	2.2
273.21964	1.6
285.22137	2.2
305.22583	1.4
311.23639	1.7
377.31918	4.0
383.88434	1.4
387.30328	2.5
395.33057	58.5
405.31366	17.7
405.82861	1.3
411.36108	4.1
413.34140	2.9
423.32336	18.7
423.36615	1.8
441.33524	100.0
442.34024	4.7
459.27316	3.0
459.33981	43.7
464.67590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01854	4.2
55.05508	19.0
56.82420	2.5
57.03443	3.1
57.07059	6.4
58.10444	2.4
67.05491	31.5
69.03423	3.3
69.07060	20.9
71.04970	3.9
71.78769	3.2
79.05486	32.5
81.03407	6.9
81.07043	48.0
82.10279	2.9
83.04984	6.2
83.08611	13.7
85.06535	5.9
91.05476	30.4
93.07031	39.4
95.04942	8.4
95.08592	48.0
96.08931	3.6
97.06488	5.5
97.10157	11.3
99.08092	18.0
103.05474	3.5
105.07014	69.5
107.08575	60.9
109.06502	8.3
109.10140	37.8
109.64689	2.6
110.10426	3.4
111.08070	7.9
115.05439	2.7
117.06984	16.5
119.04898	3.4
119.08563	79.7
121.06509	4.8
121.10126	60.1
123.08051	10.0
123.11703	13.2
123.56706	2.5
125.09612	9.3
125.78883	2.7
127.07574	3.2
129.06996	11.6
131.08559	29.3
133.06493	4.1
133.10104	92.2
134.10446	2.5
135.08000	7.3
135.11674	44.8
137.09618	7.5
143.08539	11.1
145.06488	5.4
145.10109	56.2
147.08031	8.4
147.11661	79.8
148.12149	3.2
149.09598	10.0
149.13225	19.3
151.07561	3.6
151.11177	3.0
155.08513	5.5
157.10114	11.0
158.10887	3.8
159.11685	43.2
161.09671	6.4
161.13234	100.0
163.11165	8.1
163.14803	13.9
165.09106	3.8
169.10150	6.5
171.11641	20.6
173.09674	7.1
173.13217	25.6
175.11192	7.7
175.14799	56.6
177.09154	3.0
177.12737	5.2
177.16333	16.1
179.14215	3.0
181.10181	4.5
183.11752	4.8
185.13272	13.5
187.11137	4.0
187.14777	26.0
189.11206	4.7
189.12726	8.2
189.16408	12.2
191.14287	14.0
193.12228	3.6
193.15860	19.4
195.11739	3.4
197.13264	6.4
199.14792	9.6
201.12756	6.6
201.16371	13.0
203.14320	13.3
203.17931	9.2
205.12161	3.5
205.15862	6.8
207.17477	3.0
208.81667	2.8
211.14876	6.5
213.12770	4.5
213.16357	9.0
215.14313	16.8
215.18001	7.5
217.15977	6.0
219.13760	21.4
221.15308	18.4
225.16377	3.2
227.12682	5.4
227.17818	3.0
229.15924	5.0
229.19441	3.4
231.13855	2.9
231.17419	16.3
233.15366	7.5
235.16890	4.0
237.14743	21.9
241.19478	6.6
245.15054	2.6
247.16907	2.9
253.19518	4.4
288.09967	2.8
335.27316	11.0
345.25812	10.2
349.21616	3.6
353.28256	19.6
363.26779	51.4
367.22601	8.6
370.53271	2.9
381.27838	48.9
385.23666	8.5
391.26266	11.4
395.29218	25.4
399.28864	24.7
405.27390	14.7
405.32187	6.0
409.27225	26.0
423.28763	18.9
423.32846	12.0
424.27908	4.4
441.25717	6.3
441.34308	34.2
459.27267	25.8
459.34634	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	459.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.7
55.01845	3.7
55.05505	29.8
56.43332	1.4
57.03392	4.9
57.07035	7.0
65.03924	2.1
67.05495	31.9
69.03398	4.1
69.07055	21.4
69.23626	1.6
71.04969	8.8
71.08584	4.0
73.06503	3.0
79.05479	31.9
81.03412	28.3
81.07043	46.3
82.07317	2.0
83.04926	3.9
83.08613	21.8
85.06492	3.0
91.05458	29.5
93.07026	34.6
95.04955	16.3
95.08593	62.9
96.08909	2.4
97.06494	3.5
97.10154	17.3
103.05405	1.5
105.07006	34.0
106.07262	2.5
107.04945	8.7
107.08578	47.5
109.06445	4.6
109.10144	35.7
110.10405	1.8
111.04376	1.6
111.08001	5.0
111.11636	2.5
115.05424	2.1
117.06988	16.1
119.04873	2.9
119.08563	36.2
120.08777	2.0
121.06496	7.9
121.10122	27.0
122.10370	2.2
123.04253	1.9
123.07974	5.9
123.11678	19.7
124.11978	2.0
125.05887	1.7
125.08823	2.1
125.09595	25.9
125.27299	1.8
127.11128	3.5
128.06143	1.9
129.06215	1.5
129.06960	15.7
131.04832	5.4
131.07646	1.8
131.08539	25.8
133.06355	5.3
133.10094	22.0
135.07973	6.1
135.10776	1.8
135.11647	17.8
137.09511	2.1
137.13193	15.0
139.11092	2.9
141.06895	3.8
142.07681	2.6
143.08539	14.5
145.06461	21.7
145.10101	28.5
147.04298	1.9
147.07895	5.0
147.11665	20.8
149.09531	3.8
149.13243	14.8
151.14769	11.4
153.09000	4.6
153.12729	18.1
155.08440	6.6
157.06361	4.7
157.10092	19.9
159.08006	3.8
159.11678	16.8
161.05890	2.7
161.09479	2.4
161.13251	12.4
163.11012	3.2
163.14801	9.9
165.09030	4.3
165.12660	3.9
167.08517	3.9
169.06418	2.2
169.10123	8.9
171.07928	5.8
171.11652	18.0
173.09607	3.8
173.11868	2.1
173.13235	22.8
175.11082	5.8
175.14838	12.9
177.12633	2.7
177.16382	3.9
179.14168	2.6
181.06299	2.2
181.09972	4.4
183.07899	1.9
183.11652	9.2
185.09531	2.8
185.13150	9.9
187.11037	2.1
187.14774	13.8
189.09004	2.3
189.11067	7.6
189.12650	3.6
189.16310	9.1
191.10564	2.2
191.14120	3.5
191.17865	2.0
193.12193	16.2
195.11545	6.9
197.13220	9.6
199.11032	4.1
199.13043	1.5
199.14760	11.6
201.12553	1.9
201.16348	21.0
203.17786	1.7
205.15857	2.7
207.11732	1.8
209.13020	4.7
211.11087	1.8
211.14632	5.1
213.12675	2.7
213.16330	14.8
215.14326	3.0
215.17908	74.8
217.12097	4.3
217.19440	3.5
219.13626	3.4
219.17303	3.1
221.13124	1.7
223.14655	4.7
223.16631	2.2
224.15269	1.9
225.12683	2.3
225.16179	7.0
227.14220	3.8
227.17909	22.3
229.12122	1.6
229.19345	2.8
231.13731	3.5
231.17236	2.5
233.15143	6.0
235.11034	1.6
237.12544	2.8
237.16068	4.7
239.14195	2.3
239.17825	7.6
241.19437	3.8
243.13571	3.6
245.15332	3.7
247.16907	8.5
251.17799	3.0
253.19383	4.6
255.13554	6.1
257.15039	2.0
259.16727	7.1
261.18466	100.0
265.19272	7.1
267.21085	7.6
269.15149	2.6
269.18796	2.0
269.22433	2.1
271.16904	3.2
271.20383	2.0
273.14603	13.2
273.18216	22.5
277.14288	2.9
277.19305	2.6
279.20844	4.9
281.15164	1.7
281.22305	4.8
285.18372	2.3
293.22299	4.2
295.20743	2.2
295.24081	10.6
297.25684	2.3
299.19687	1.8
311.16327	3.5
311.19775	6.3
313.21301	6.0
313.79813	1.9
315.22800	2.3
323.19693	2.3
325.21356	4.7
327.23010	2.5
337.28500	5.8
339.22818	7.5
341.20770	2.5
341.24451	7.6
349.21640	9.0
349.28683	9.1
351.30045	3.1
357.19922	1.8
357.24020	2.7
365.28220	4.5
367.22617	35.7
367.29678	10.9
368.22864	2.0
369.31387	11.9
371.21765	2.6
383.29391	22.4
385.23697	30.5
385.30341	6.8
395.29483	31.6
397.30875	11.7
403.24362	5.6
405.24008	3.6
411.28909	10.9
413.30472	11.1
415.31696	2.0
423.24423	2.4
429.29922	22.0
441.25500	6.9
441.29828	6.9
441.35605	2.7
459.26822	91.1
459.36957	6.9
460.27271	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	459.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03078	0.4
53.03921	1.5
53.62941	0.5
55.01866	4.9
55.04557	0.4
55.05502	17.8
57.03426	3.5
57.07046	1.2
57.62032	0.5
58.54423	0.4
59.04994	0.9
64.61766	0.5
65.03928	1.3
67.05126	1.0
67.05492	19.3
68.00661	0.4
69.03431	2.6
69.07060	6.6
70.69389	1.5
71.04970	2.2
71.14344	0.5
79.05483	22.4
80.05810	0.5
81.03407	16.4
81.07043	19.3
83.04975	3.2
83.08153	0.7
83.08607	9.5
85.02879	1.4
85.06533	1.2
87.04535	0.5
91.05465	14.8
93.07031	13.1
95.04951	9.7
95.08597	10.9
97.02856	0.7
97.06505	4.2
97.10155	12.9
99.08088	0.7
105.03442	0.5
105.07017	12.7
106.07341	0.8
107.04942	9.9
107.08577	12.0
108.08885	1.0
108.23868	0.5
109.02909	0.8
109.06499	4.7
109.10131	7.6
110.10506	0.6
110.60884	0.5
111.08076	2.9
113.05954	0.8
114.66399	0.4
115.05449	1.6
117.07014	5.7
119.04906	1.1
119.08556	9.7
120.08920	0.7
121.02722	0.5
121.06475	9.2
121.10135	5.1
122.10462	0.7
122.13503	0.5
123.04430	0.8
123.08038	5.1
123.11686	1.2
125.09617	9.9
126.09985	0.6
128.06206	1.1
129.06972	8.6
131.04910	3.8
131.08548	7.7
133.06468	4.8
133.10117	5.0
135.08046	3.8
135.11674	2.3
137.06024	0.9
137.09590	1.4
139.07520	0.6
141.06975	2.7
142.07764	1.5
143.08516	5.4
143.10687	0.8
144.05672	0.9
145.06462	19.9
145.10106	6.0
146.06892	0.6
147.04390	1.9
147.08040	5.4
147.11667	6.0
148.12085	0.5
149.09587	2.9
149.13249	0.6
151.07584	0.8
151.11194	0.6
153.06990	0.5
153.09094	3.2
153.12776	1.2
155.08514	3.1
157.06435	3.4
157.10088	5.2
159.07990	4.4
159.11658	2.0
161.05960	3.2
161.09557	2.8
161.13283	0.8
163.11165	1.9
165.06909	0.7
165.09106	1.6
165.12730	1.3
167.08560	1.8
169.06483	1.9
169.10101	3.0
171.08040	4.6
171.10266	0.5
171.11674	2.7
173.09573	2.4
173.13245	1.2
175.07506	1.1
175.11198	3.4
175.14828	0.9
177.12668	1.0
179.08583	0.7
179.10632	0.6
181.06474	0.8
181.10124	2.0
181.12198	0.5
183.08078	1.4
183.11699	1.8
185.09567	2.8
185.13239	2.0
187.11176	1.8
187.14778	1.5
189.11195	5.8
189.12744	1.5
192.18260	0.7
193.10315	0.7
193.12198	10.8
193.15858	0.8
195.08037	1.6
195.11772	2.5
196.08635	0.6
197.09610	1.7
197.13208	2.4
199.07550	0.6
199.11147	1.9
199.14786	0.7
201.12698	0.6
203.14284	0.6
203.17953	0.6
205.12184	1.0
205.15808	0.5
207.11722	0.6
209.09618	0.8
209.13283	1.2
211.11139	1.9
211.13255	1.3
213.12750	2.1
215.14371	2.6
217.12263	1.0
219.11719	0.7
223.11189	1.3
223.13101	0.6
225.12718	2.6
226.12808	0.6
227.14349	3.2
231.13771	1.9
233.15312	3.5
235.11235	0.8
237.12674	3.0
239.14326	1.1
241.14172	0.6
243.13785	1.0
245.15404	0.9
249.14890	1.2
251.14304	0.8
255.13725	3.8
257.15402	1.1
259.13324	1.3
269.15384	0.9
271.16895	1.4
273.14804	14.9
274.15073	0.7
281.15387	1.1
283.16940	1.1
287.16516	1.3
297.18704	0.6
299.16629	0.6
311.16412	1.2
313.18127	0.6
321.22150	1.1
331.20544	0.9
339.23074	3.8
349.21564	12.0
350.21854	0.9
357.24152	3.0
367.22614	30.3
368.23019	2.8
377.24533	0.7
385.23669	30.7
386.24048	2.0
395.26208	0.5
403.24722	6.4
405.24274	2.5
423.25360	1.6
441.26312	6.4
441.36145	1.6
459.27377	100.0
459.36694	4.5
460.27682	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	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01868	4.4
55.05498	5.5
56.96561	25.0
57.03428	8.7
57.93836	1.5
59.04987	2.3
61.02916	11.7
63.07222	1.5
69.03423	26.5
69.07055	1.7
70.06583	9.2
70.38361	7.3
71.04991	3.6
72.08138	9.1
73.02924	10.0
73.06538	5.6
79.05484	3.3
81.03404	10.8
83.04964	2.0
84.04494	2.6
84.08144	10.2
84.96018	6.1
85.02898	50.6
86.06062	3.6
86.09700	2.2
87.04465	5.8
88.99151	2.2
91.03967	2.5
91.05471	9.4
94.06594	2.6
95.08601	1.6
97.02877	35.1
97.07630	2.1
98.21278	2.0
98.97570	72.9
99.04444	4.4
100.00050	1.7
101.00873	4.6
101.02355	2.5
105.07055	1.8
107.04904	2.6
109.02866	7.1
110.07194	1.9
110.97559	9.5
112.99139	2.2
114.09151	8.2
114.10285	4.2
116.07084	2.6
116.98608	56.3
118.01119	6.5
119.01905	26.9
119.04930	15.3
121.06520	2.9
122.03666	3.4
122.06030	1.7
123.04428	2.8
127.02431	1.7
127.03909	17.1
128.02344	2.1
128.07094	2.0
128.98599	19.4
129.10220	5.5
130.08629	11.6
131.00183	3.7
131.01895	11.4
133.03468	1.7
133.06421	1.9
134.99637	34.1
135.04395	3.4
136.06224	2.2
137.02946	6.3
137.05962	90.0
138.06317	2.7
139.03915	2.5
140.00237	2.3
140.07043	9.5
142.01094	5.0
143.00198	3.1
143.01878	25.3
144.98157	1.7
145.01566	2.8
145.03450	6.7
145.04941	7.3
146.02345	1.8
146.04147	1.9
146.98511	2.7
146.99615	21.7
147.03326	3.1
147.04384	44.3
148.04781	3.0
149.01187	2.8
149.02992	2.5
151.07533	2.6
152.05675	3.3
153.00662	3.5
155.01906	6.3
155.04625	16.9
156.02632	6.1
157.03455	3.5
158.99634	40.7
160.02150	10.5
160.09705	7.0
161.01262	6.3
161.02937	74.9
161.05913	3.5
162.03093	2.6
162.99147	2.8
163.02673	4.0
163.03917	8.4
164.05208	7.8
165.00763	5.8
165.05515	2.7
166.07169	2.3
166.55452	3.1
167.07031	12.4
168.02661	2.4
168.98114	1.9
170.05273	2.3
170.99629	9.7
172.02089	2.4
173.01352	2.9
173.02968	15.8
173.06367	1.5
174.03752	3.4
176.09273	2.1
177.00697	57.0
177.02216	2.2
177.03984	2.6
177.05502	4.4
178.01151	3.3
179.02211	3.4
179.03845	2.4
179.06999	21.8
181.03455	6.4
182.03268	2.3
183.52890	1.9
184.02319	2.0
184.04384	7.5
185.02963	4.4
185.06590	2.6
186.03734	5.2
189.00726	17.3
189.02327	2.5
189.04294	6.8
190.95358	2.9
190.98621	3.6
191.02312	3.3
191.03912	2.7
195.01747	4.8
195.04988	22.8
196.02168	11.5
197.02953	4.1
197.08133	2.6
199.04492	6.3
200.02315	2.6
201.00754	7.5
202.03191	1.7
203.03986	26.3
204.05528	2.1
205.00136	3.1
205.03593	4.8
205.33122	2.0
207.01712	7.6
207.05260	2.8
208.04927	4.8
209.06464	1.9
212.05315	2.2
213.00710	3.1
213.06065	3.8
215.02228	2.0
215.07581	2.3
216.04704	1.9
217.03477	2.5
217.05443	9.0
218.04333	4.2
219.01711	31.4
219.04996	37.0
221.02966	3.8
221.05077	17.8
222.03722	5.7
223.01231	3.2
223.04485	11.4
224.04863	1.9
226.03261	2.1
227.06717	3.9
228.03781	2.4
231.01538	3.6
231.05029	5.9
233.06590	3.6
234.03595	2.2
235.02681	2.5
235.04732	2.4
236.05261	6.6
236.07346	9.0
237.02820	33.6
237.06064	48.0
238.06250	3.7
240.04790	4.1
241.03699	2.5
243.08159	2.2
244.04248	100.0
244.07977	10.1
245.04810	7.4
246.03767	3.2
246.06416	3.2
247.04483	9.1
248.05005	3.1
249.02792	5.0
249.06039	9.4
250.03322	2.1
251.09715	2.6
252.04852	4.1
252.07570	3.0
253.03667	3.2
255.03967	3.7
257.04971	5.4
259.04535	6.0
260.04953	2.5
261.03860	3.2
261.06110	12.8
262.05307	14.6
263.06009	12.3
264.04697	19.7
265.05261	3.6
267.07159	5.4
269.03568	2.0
272.06055	2.3
273.03036	2.3
273.06058	2.3
275.09772	2.2
276.05176	2.1
278.06592	2.4
279.03854	34.4
279.07126	34.3
280.07098	11.4
285.06644	2.8
287.05966	3.6
289.07767	4.4
291.03931	5.0
291.07394	11.6
293.10898	7.7
295.04776	3.0
296.06519	2.8
297.05130	2.7
297.08212	33.2
298.08475	3.6
300.04761	3.2
307.06546	11.7
308.06558	4.6
309.05017	4.1
309.08423	35.9
320.06985	3.2
321.08197	15.9
324.10303	6.0
325.06613	3.4
325.10431	65.6
330.93387	1.7
332.09515	6.9
333.07913	2.5
334.10931	26.0
335.11887	2.4
336.06976	4.7
339.09262	4.8
341.04999	1.8
341.10687	2.7
348.06827	63.4
349.07074	10.5
351.09473	8.4
357.05228	1.7
363.09271	28.5
364.09509	2.8
366.07861	8.6
379.10333	3.9
381.10303	86.0
382.10526	9.1
399.11340	88.9
400.11444	8.4
415.08893	5.2
417.06912	6.2
417.12280	9.8
422.13016	5.5
441.12546	6.3
441.19412	4.0
459.07751	3.4
459.13602	27.2
459.23889	8.4
460.13666	2.6
483.33423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.28044	0.4
55.01862	2.7
57.03430	2.3
61.02900	0.8
65.03924	1.7
67.05485	0.6
68.99431	0.4
68.99775	0.9
69.03402	1.1
69.51556	0.4
69.51807	1.2
69.52234	2.7
72.08140	0.4
73.02893	0.8
77.03919	0.5
79.05469	1.4
81.03411	3.1
81.07033	1.5
82.09304	0.4
83.01323	1.5
83.04961	1.2
85.02894	10.4
91.05473	2.9
93.02857	0.5
93.03393	6.8
95.01301	1.1
95.04958	2.6
97.02851	1.6
103.03940	2.6
103.05457	1.9
105.03366	1.5
105.07002	1.6
107.01279	1.0
107.04950	4.1
109.02860	6.9
109.06508	3.0
111.00771	0.9
111.04430	4.3
115.05401	1.2
116.84994	0.4
117.07013	0.7
119.04929	4.5
120.26947	0.4
121.02848	7.3
121.06482	1.4
123.00777	0.5
123.04410	3.3
125.02300	0.9
127.03891	1.4
131.04916	2.3
133.02817	1.4
133.06470	2.1
135.00826	0.6
135.04401	3.4
137.02310	1.3
137.05937	2.9
139.03851	3.4
140.40324	0.4
143.04861	1.1
145.02820	1.3
145.06461	1.2
147.04373	8.6
149.02328	3.3
149.05959	1.6
151.03899	2.4
153.01826	2.1
159.04376	3.7
161.02301	1.5
161.05963	4.1
162.03091	0.5
163.03880	4.7
165.01820	1.7
165.05408	1.3
171.03018	0.5
171.04398	1.1
173.02332	3.1
173.05910	1.3
175.00238	3.8
175.03873	1.9
177.01828	6.0
177.05458	4.1
179.03337	1.4
183.04337	0.6
187.03897	5.8
189.01804	8.1
189.05452	2.1
190.02487	0.6
191.03351	5.4
193.01329	0.6
193.04955	0.4
194.02121	0.4
195.02876	12.3
196.03084	0.4
199.03833	1.0
201.01765	1.4
201.05424	2.0
203.03325	2.0
205.01274	4.5
205.04913	5.0
207.02858	23.0
208.03354	0.5
209.04373	1.3
211.03854	0.9
213.05397	0.6
215.03391	3.6
217.01274	0.8
217.04979	1.5
219.02853	65.5
220.03185	0.9
220.67015	0.4
221.04424	1.6
223.02333	9.6
225.03906	16.0
226.04300	0.4
227.03329	1.1
229.04955	4.0
231.02939	1.9
232.03325	0.4
233.04408	22.4
235.02383	0.7
237.03922	1.8
237.62592	0.4
239.03458	0.7
243.02908	2.1
245.04442	3.0
247.06006	2.7
249.03885	4.3
251.05322	2.2
255.02863	0.9
257.04370	4.8
259.02341	1.5
259.05826	0.6
260.64868	0.4
261.03909	100.0
262.04239	1.4
265.07098	0.5
267.02823	0.4
273.03900	16.5
275.05396	2.5
279.06775	0.4
285.03903	13.4
287.05634	0.4
291.04935	11.2
297.07599	1.7
303.04959	28.8
309.07565	4.2
311.09213	0.5
315.08603	0.7
321.05960	19.0
325.07104	3.9
327.05383	0.6
327.08566	23.4
339.07907	28.9
340.08350	0.4
351.08115	0.5
363.08209	0.7
369.09668	0.5
381.09653	20.6
393.09659	18.3
405.09625	7.0
411.10443	1.3
423.10669	8.2
423.57410	0.5
441.11768	9.6
447.28473	0.4
459.12814	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	459.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05420	0.8
55.05482	1.0
56.96559	3.5
61.02927	0.9
65.55535	0.9
67.89162	0.9
69.03407	3.4
70.06577	2.2
71.78783	1.7
72.08138	1.9
73.02901	1.2
74.56026	1.0
81.03392	1.3
84.08115	1.2
85.02872	6.7
85.47217	0.8
85.67928	0.8
86.06057	1.7
94.06573	1.3
96.07508	1.1
96.08118	16.5
97.02872	1.5
98.97565	69.3
99.97882	0.9
100.18956	0.8
109.54226	0.9
110.97553	14.6
114.09155	55.2
115.09470	1.2
116.07084	4.2
116.98608	43.7
117.07446	1.6
118.08649	1.1
119.01881	1.1
127.03925	2.9
128.98596	20.1
134.99640	16.8
138.05495	5.1
140.00163	1.3
145.04930	2.0
146.99634	13.3
153.00702	2.3
158.99634	58.4
160.09689	4.7
160.27406	0.9
161.02937	2.3
165.00658	2.0
170.99625	19.0
172.08249	1.7
173.01289	1.3
177.00688	67.3
189.00682	38.9
191.02264	1.4
191.03856	1.2
195.01788	5.7
200.02269	3.0
200.04224	1.1
200.07625	6.3
201.00674	3.9
203.04051	1.4
207.01729	15.6
215.54819	1.0
216.05605	1.1
218.08704	2.8
219.01732	42.8
231.01802	6.6
231.04956	1.0
237.02797	10.6
237.05182	1.0
237.06149	1.1
245.04970	3.1
249.02794	20.3
253.58435	1.0
255.03876	2.5
257.95508	0.9
261.02783	2.7
268.57745	1.0
273.02838	1.2
273.08112	2.9
279.03845	100.0
280.04196	2.6
291.03918	7.1
295.14984	22.0
296.14932	1.3
297.04886	10.9
297.77429	1.0
300.09067	1.5
300.14548	2.2
309.04858	22.2
320.06638	1.7
322.16003	1.5
323.14441	4.8
327.06305	0.9
339.05927	5.4
341.15543	64.8
342.15897	1.6
343.15509	1.0
344.15512	1.6
369.07019	1.3
399.06894	1.2
417.07208	2.3
459.06848	3.8
459.12595	11.1
460.11951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
53.65710	0.7
55.05499	4.1
57.03432	0.6
58.06596	0.7
59.45531	0.6
61.02900	0.9
67.05493	1.0
69.03414	4.4
69.07044	0.8
69.30904	0.5
70.06550	1.3
70.81049	1.7
70.81400	0.8
71.04989	0.5
71.17223	0.6
72.08150	0.8
77.03868	0.7
79.05480	8.9
81.03385	2.6
81.07032	2.6
82.06548	0.7
83.06075	1.0
84.08116	3.0
85.02888	2.6
86.09684	2.4
91.05462	8.5
93.07027	27.6
95.04954	2.7
95.08603	1.3
97.02863	1.8
97.06503	0.8
99.04444	0.9
103.05447	0.9
105.07008	8.8
107.04904	1.0
107.08579	4.2
109.02852	2.1
109.06512	1.9
110.06036	0.6
110.07124	1.4
112.07584	6.1
114.09152	2.9
116.06194	1.1
119.08575	2.6
121.06483	2.1
121.10120	30.2
122.05983	0.7
122.10475	0.7
123.08065	1.8
123.11706	0.8
127.03887	1.6
127.68922	0.6
129.06972	0.8
130.08615	100.0
131.08499	4.4
133.10132	1.4
134.06024	0.7
134.10411	0.7
137.05957	0.9
139.11119	0.7
147.04356	0.9
149.09590	45.4
167.07127	0.6
175.03844	0.7
175.14828	1.1
184.20973	0.6
207.06537	1.4
210.14841	0.8
261.03946	0.6
283.10767	0.8
284.11469	0.7
292.13901	2.2
293.13770	1.0
311.14813	3.2
345.19907	0.7
356.13898	1.2
370.15540	1.0
382.11957	1.0
384.13275	1.2
398.15085	2.0
399.15686	3.9
400.16412	1.2
430.17566	0.8
440.16724	1.1
440.22659	6.8
458.17029	9.1
458.25021	3.5
459.18234	1.0
474.54593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22980	0.3
56.96555	1.0
56.98236	0.3
57.03420	0.5
61.02924	0.5
62.51718	0.3
64.77329	0.3
65.03935	0.3
67.05507	0.4
69.03421	0.8
69.07057	0.7
70.06568	2.3
70.54140	0.7
70.54527	0.7
71.04969	0.4
72.08146	0.8
79.05480	1.2
81.03405	0.7
81.07079	0.4
84.04497	0.7
84.08138	1.1
85.02888	2.3
85.06538	1.2
86.09689	0.5
91.05451	0.7
93.07044	1.4
94.06544	0.7
95.04947	0.6
96.08085	0.9
97.02885	1.0
98.06037	1.9
98.09645	0.3
98.97579	1.8
99.04435	0.6
102.82323	0.3
103.05447	5.7
105.92508	0.3
107.04921	1.6
109.02863	0.8
110.07162	0.3
110.97570	0.4
111.04463	0.3
113.05994	1.5
114.09152	7.7
114.10299	0.4
116.07082	0.4
116.10719	0.6
116.98608	0.9
117.05536	0.3
120.08088	100.0
121.08438	1.6
122.06033	1.0
123.04424	0.6
125.05995	0.3
127.03883	1.1
128.98586	0.5
129.10225	0.5
130.08600	0.5
131.04913	2.3
131.07027	1.7
134.99640	0.7
135.04306	0.3
136.07571	0.4
137.02319	0.5
137.06004	0.7
138.03656	0.5
138.05516	0.5
139.03877	1.3
140.07040	6.1
141.07410	0.7
147.04384	0.7
149.02348	0.3
149.05951	2.5
151.03819	0.4
158.08072	0.8
158.99651	0.6
159.04375	0.3
160.09618	0.8
163.03877	1.1
166.08614	56.7
167.07008	0.5
167.09006	0.5
174.11237	0.7
177.00648	0.8
177.05429	0.6
178.05774	0.4
184.04156	0.4
201.00703	0.6
219.03041	0.4
225.03925	0.6
227.06844	0.4
233.04350	0.4
237.02675	1.8
257.04413	0.6
261.03754	0.8
296.11191	0.4
305.08936	0.5
323.09985	0.9
337.08371	0.5
339.08215	0.4
340.19104	0.3
349.08035	0.4
351.09558	0.4
368.20053	0.5
421.34665	0.3
458.19717	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	457.367
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
51.50695	0.6
53.00282	0.6
53.03935	1.3
55.01850	0.6
55.05499	5.2
57.07055	1.9
57.25910	0.7
59.05002	0.7
65.03931	1.1
67.05493	8.1
69.03429	1.8
69.07058	8.9
69.81058	4.7
71.04984	11.5
72.24828	0.6
77.03893	0.6
79.05482	8.9
81.03426	0.7
81.07044	20.3
81.07530	1.1
83.04960	2.0
83.08595	5.1
85.02887	1.1
85.06520	0.9
91.05465	8.3
93.07026	17.3
95.04963	2.1
95.08591	24.9
97.06523	3.7
97.10172	2.4
99.08068	7.4
105.07005	14.5
107.08573	47.8
108.08904	1.2
109.06491	4.7
109.10132	23.2
111.04517	0.6
111.08053	2.5
111.11720	0.9
117.06994	2.2
119.08566	18.7
121.06494	2.2
121.10124	26.8
122.10513	0.7
123.08038	3.1
123.11691	10.4
125.09608	14.7
127.03923	0.7
127.07535	2.8
127.11156	4.2
129.07018	0.9
131.08525	5.8
133.10104	18.1
134.10513	0.9
135.08041	6.6
135.11671	19.8
137.09601	5.8
137.13234	2.7
139.11168	2.4
142.07780	1.0
143.08527	2.6
143.10681	2.9
145.10101	14.2
147.08015	0.9
147.11667	13.7
149.09587	18.3
149.13211	8.0
149.57593	0.6
150.10039	1.0
150.13574	0.6
151.11183	3.5
153.12683	0.8
157.10101	6.2
159.08025	0.6
159.11684	11.9
161.09608	1.5
161.13232	8.3
163.03983	0.6
163.11212	2.2
163.14818	6.8
165.12723	1.2
167.10715	1.1
169.10085	1.1
171.11710	4.7
173.09589	0.7
173.13266	6.7
175.11198	1.7
175.14787	6.7
177.12712	1.1
177.16347	2.7
179.14288	2.4
183.11662	1.4
185.13254	3.5
187.14766	7.4
188.15178	0.7
189.12712	1.1
189.16374	7.5
191.14322	1.8
191.17908	23.6
193.15898	0.9
197.13260	1.0
197.53601	0.5
199.14839	4.3
201.16351	8.4
203.14359	1.2
203.17923	9.1
205.15848	1.9
205.19495	1.0
207.17398	3.0
209.15393	1.4
211.14806	1.3
213.16350	5.1
215.14366	0.8
215.17944	3.5
217.15878	11.0
217.19461	4.4
219.17401	2.5
221.19064	0.7
225.16483	0.7
227.17947	2.0
229.15782	0.9
229.19527	2.0
231.17390	8.8
231.21030	0.8
233.15388	3.6
233.18884	1.2
235.16896	3.6
236.17410	0.6
239.18005	0.8
241.19324	1.1
243.17256	0.8
243.21124	1.0
245.18970	1.7
249.18454	4.8
253.19504	0.8
255.21071	1.7
257.18933	1.2
257.22626	2.4
259.20547	1.5
260.09930	2.1
271.20520	0.9
273.22141	1.0
275.23843	0.8
281.22672	1.2
283.20343	0.9
285.22113	1.5
297.25546	0.8
299.23550	0.8
301.25262	0.7
315.26816	1.8
335.27359	2.0
341.28363	3.2
351.30548	1.4
353.28433	1.6
359.29437	1.7
365.28503	0.6
367.29993	0.8
369.31580	2.7
403.33505	1.1
421.34616	22.9
422.34940	1.0
439.35696	52.5
440.36029	2.7
457.36713	100.0
458.16516	0.6
458.36917	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	457.3672
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
50.15720	0.7
51.36131	1.0
55.01851	0.9
55.05502	5.7
57.07050	1.7
65.03937	0.9
67.05499	9.5
69.03414	1.4
69.07052	7.9
69.72065	1.5
69.72475	5.2
71.04974	13.0
79.05479	9.6
81.03411	1.0
81.06593	1.5
81.07043	20.3
82.07372	1.5
83.04961	2.7
83.08577	4.5
84.08135	0.8
85.02939	1.7
85.06529	1.7
91.05467	8.5
93.07028	18.5
94.70294	0.8
95.04956	3.0
95.08591	29.5
96.08916	1.8
97.06527	5.1
97.10158	1.7
98.20661	0.9
99.04434	1.0
99.08073	7.8
105.07014	15.4
107.08576	35.1
108.08909	2.2
109.02901	1.1
109.06509	3.0
109.10138	23.5
109.10869	1.6
110.10476	1.2
111.08090	2.4
111.11671	1.0
117.07010	2.3
119.08555	17.7
120.08826	1.2
121.06484	1.7
121.09259	1.6
121.10128	30.5
122.10430	2.1
123.08068	2.3
123.11684	12.9
124.12019	1.4
125.05966	1.0
125.09604	10.5
127.07578	2.5
127.11166	3.2
129.06987	0.8
130.31114	0.7
130.50015	0.8
131.08565	6.7
133.10106	18.5
134.10429	1.3
135.08035	7.2
135.11671	23.1
137.09557	5.2
137.13220	2.9
139.11153	1.9
139.77126	0.9
142.07805	0.9
143.08542	2.5
143.10654	3.2
145.08983	0.9
145.10112	15.7
147.11656	13.3
148.11931	0.9
149.09589	12.8
149.13243	7.2
151.11157	4.1
155.08583	0.9
156.09360	1.2
157.10153	4.1
158.10550	0.9
159.11673	11.5
161.09593	1.4
161.13228	10.6
163.11110	1.9
163.14792	6.5
164.04192	0.9
165.09201	0.9
167.06985	1.2
169.10088	1.1
171.11642	4.7
173.09691	0.9
173.13223	6.3
175.11160	2.0
175.14857	5.3
177.16396	3.1
182.89140	0.8
183.11671	1.9
185.13229	2.5
187.14809	6.6
189.12746	1.1
189.16350	7.2
191.14317	1.9
191.17928	21.1
191.19676	1.1
192.18224	1.2
193.15915	1.1
197.13284	1.6
199.14810	4.0
201.16310	6.9
203.14304	1.3
203.17976	8.3
205.15825	1.8
205.19519	1.2
207.17488	1.8
209.15373	1.4
211.14772	2.0
213.16339	4.0
215.14233	1.4
215.17943	2.6
217.15877	9.6
217.19424	4.4
219.17525	2.3
219.20934	1.0
227.18016	1.4
229.15877	1.1
231.17384	8.3
233.15398	3.4
233.18965	1.4
235.16936	3.1
239.17815	1.0
241.19536	1.7
243.21008	1.1
245.18906	1.6
249.18518	3.6
257.22705	2.1
260.10132	1.4
267.21011	1.1
269.22360	1.4
271.24072	0.9
333.03885	0.8
341.28403	1.9
351.30588	1.3
353.28421	1.0
369.31427	2.7
411.36334	1.1
421.34650	15.6
439.35654	48.4
440.36044	2.5
457.36722	100.0
458.37082	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	457.3668
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
53.00286	0.9
53.03936	1.2
55.05493	5.6
57.07059	2.1
67.05493	7.9
69.03409	1.0
69.07064	8.1
69.59992	8.4
71.04976	13.1
79.05478	6.3
81.07041	22.0
81.07526	1.1
82.07392	1.1
82.89314	1.1
83.04922	2.1
83.08620	5.8
85.02888	0.8
85.06516	2.0
89.51102	0.9
90.51737	0.9
91.05452	9.2
93.07028	21.3
95.04969	2.3
95.08590	29.7
95.09187	1.8
96.08927	1.2
97.06518	3.6
97.10163	3.0
98.20696	1.3
99.08086	6.7
105.07011	13.7
107.08572	35.7
108.08936	1.6
108.67757	0.8
109.06494	2.5
109.10139	25.9
111.08060	2.8
111.11749	1.9
113.09635	1.6
115.51511	0.8
117.07020	1.8
119.08556	20.5
119.09389	1.3
121.06490	1.5
121.10119	29.8
122.10460	1.8
123.08048	3.5
123.11678	14.1
125.09615	8.5
127.07520	2.6
127.11162	3.0
131.08546	5.4
133.10094	18.8
134.10481	1.3
135.08060	7.1
135.11667	21.1
136.12057	1.1
137.09627	5.8
137.13240	4.2
139.11208	1.7
141.09076	2.6
143.08575	2.5
143.10637	5.0
145.10089	13.2
147.08018	1.6
147.11662	12.4
149.09601	14.4
149.13217	9.0
151.11165	2.9
151.14769	1.2
153.12755	1.3
157.10092	4.3
159.11650	12.8
161.09583	2.4
161.13232	9.9
161.52625	0.8
163.11244	1.4
163.14816	5.9
165.09091	1.9
167.10699	1.1
169.10161	1.4
171.10350	0.9
171.11652	5.2
173.09660	1.0
173.13217	6.2
175.11200	1.5
175.14842	4.9
177.16397	3.3
179.10728	0.9
179.14314	1.9
181.25137	0.9
183.10158	1.7
183.11632	1.9
184.75107	1.1
185.13231	2.5
187.10963	1.0
187.14781	7.0
189.16370	11.0
191.14453	2.1
191.17926	22.6
192.18254	1.1
199.14841	3.8
201.16353	8.2
203.14252	1.4
203.17897	9.5
205.15797	1.4
205.19632	1.2
207.17426	2.0
210.44630	1.1
213.16335	4.8
215.14468	1.4
215.17946	4.7
217.15826	9.4
217.19496	4.1
218.83362	1.2
219.17448	2.3
221.15462	1.1
227.18027	1.6
229.19571	1.5
231.17406	8.8
233.15283	4.4
233.18872	1.3
235.16841	5.2
241.19577	1.9
249.18445	5.4
257.22723	3.4
259.20551	1.6
273.22104	1.1
277.21704	1.1
295.20398	1.0
295.24097	1.0
299.23819	1.6
317.24899	1.3
335.27338	1.1
341.28360	2.6
351.30502	1.4
367.26175	1.4
369.31589	3.2
371.29453	1.8
421.34616	17.6
422.35181	2.0
439.35681	55.5
440.36154	4.0
457.36743	100.0
458.36917	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	457.367
Annotation	27-Desoxyphillyrigenin
Peak:m/z	Relative Intensity
50.09217	0.7
53.03923	1.8
55.05504	8.6
57.07074	3.9
61.70750	0.7
67.05489	13.9
69.03414	1.3
69.07056	12.1
71.04962	3.1
71.79865	1.0
77.03975	0.8
79.05478	12.5
81.07042	32.0
83.04958	4.4
83.08612	6.3
85.06522	2.5
91.05459	13.6
93.07026	29.7
95.04939	4.0
95.08593	37.2
96.08910	0.8
97.06502	7.3
97.10135	2.7
99.08086	4.2
99.56850	0.8
105.07008	24.3
106.07325	1.3
107.04897	1.0
107.08575	39.6
108.08875	1.5
109.06482	2.9
109.10144	26.0
111.08083	4.6
111.11698	1.3
117.07020	4.3
119.08562	35.6
120.08868	1.5
121.06464	1.8
121.09235	1.7
121.10124	32.4
123.08060	6.3
123.11680	15.5
125.09618	3.9
127.07543	1.1
128.06180	1.5
129.06969	2.1
131.08536	15.4
133.10106	24.7
135.08012	3.2
135.11667	28.6
137.09618	4.8
137.13234	4.0
139.11142	1.3
142.07741	1.6
143.08530	6.6
144.09344	1.1
145.10094	18.0
146.10544	0.8
147.08041	1.4
147.11650	19.5
149.09590	6.5
149.13217	8.9
151.11247	3.9
151.14803	1.0
153.09102	0.9
153.12700	1.2
155.08498	1.9
156.09198	0.8
157.10072	10.3
158.10658	1.1
159.08031	1.0
159.11658	15.1
161.09576	1.7
161.13225	12.2
163.11139	3.0
163.14803	8.0
163.92015	0.8
165.12689	1.7
169.10092	4.4
171.11652	10.6
173.09541	1.5
173.13234	13.2
174.13675	1.4
175.11122	2.6
175.14803	11.2
177.12732	1.2
177.16376	4.4
179.14297	1.8
181.10114	0.9
182.10892	1.2
183.11644	4.8
185.13268	6.8
187.11185	1.2
187.14778	11.9
188.15131	1.3
189.12703	2.6
189.16345	14.9
190.16716	1.0
191.14270	2.2
191.17931	10.8
195.11734	1.0
197.13162	2.9
199.14761	8.7
201.12704	1.5
201.16322	9.0
202.52815	0.8
203.14238	2.8
203.17967	6.7
205.15779	3.7
205.19478	1.1
207.13808	1.0
207.17393	9.7
209.13206	1.1
211.14777	3.1
213.16336	6.6
215.14282	1.5
215.17902	6.7
217.12186	1.2
217.15849	3.4
217.19359	2.0
219.13847	2.0
219.17291	1.7
221.15324	1.6
225.16383	2.7
227.17815	4.3
229.15932	1.2
229.19518	2.4
231.17406	2.8
233.15308	1.2
235.16840	1.6
237.16441	1.6
239.17830	1.7
241.19429	2.4
243.20943	1.0
249.18488	2.1
251.17955	1.0
253.19528	2.1
255.21048	1.2
261.18564	1.7
265.19531	1.5
267.20926	1.7
269.19031	1.1
269.22446	1.0
271.20425	1.0
279.20834	1.0
281.22400	1.5
283.24295	1.0
295.24164	1.3
297.25845	1.1
300.83438	0.9
307.24091	1.3
313.24960	1.0
321.25699	3.7
323.23758	1.4
323.27267	5.0
325.28986	1.7
341.28296	1.0
347.27231	1.9
349.71579	0.8
351.26813	1.0
353.04813	1.0
365.28253	3.4
367.26184	3.5
367.30176	1.4
369.27844	4.2
393.27277	1.5
393.31467	2.2
403.33707	1.7
409.31381	0.9
411.28619	3.1
411.32425	3.3
412.28931	1.3
413.26743	3.2
420.74615	1.0
421.30276	2.6
421.34622	4.3
439.30450	2.1
439.36560	17.2
457.36990	100.0
458.37250	6.6
461.52228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.367
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05500	8.9
57.07061	4.2
59.04971	1.2
62.73677	1.1
65.03941	2.9
67.05488	16.8
68.57400	1.0
69.07056	12.8
71.04980	12.5
71.29321	1.8
71.29632	1.4
72.56440	1.0
78.59286	1.1
79.05484	14.8
81.07041	35.1
83.04957	1.9
83.08595	7.7
85.06539	1.9
91.05454	15.6
93.07027	35.5
95.04962	4.6
95.08590	46.0
95.35715	1.0
96.08949	1.8
97.06532	4.4
97.10172	3.9
99.08083	7.9
105.07012	31.5
105.07699	1.6
107.08574	78.3
108.08894	1.7
109.06496	6.0
109.10136	33.4
109.10857	2.1
109.32898	1.2
110.10479	1.3
111.08057	4.6
117.07024	3.5
118.70586	1.1
119.06042	2.1
119.08547	37.2
120.08906	1.5
121.06519	4.1
121.10123	43.8
122.10459	1.8
123.08070	3.6
123.11679	18.0
125.09608	23.8
125.10468	1.6
127.07563	2.5
127.11210	2.8
129.06987	4.8
131.08549	17.4
133.10100	29.0
135.08037	7.7
135.11667	32.6
136.12016	2.0
137.09583	7.8
137.13217	5.9
139.11188	3.8
143.08575	6.6
143.10686	2.3
144.09358	1.3
145.10101	26.5
146.10559	1.8
147.08057	1.6
147.11664	21.8
149.09598	23.7
149.13216	15.2
151.11211	3.2
153.12759	2.2
155.08542	3.2
156.09297	1.7
157.10127	13.4
159.11658	19.8
160.12000	1.2
161.09615	2.9
161.13243	13.7
163.11163	2.9
163.14806	11.3
165.12755	3.0
167.14371	2.4
169.10197	4.7
171.11639	12.2
171.12813	1.2
173.09689	2.2
173.13232	19.6
175.11169	2.4
175.14775	13.5
177.09108	1.3
177.12817	2.4
177.16396	3.8
179.14308	1.6
183.11711	4.2
185.13194	8.3
186.13847	1.1
187.14790	15.7
188.15166	2.4
189.12698	1.7
189.16362	14.2
191.10460	1.8
191.14365	4.0
191.17917	22.9
191.19467	1.9
193.15970	2.1
195.11722	2.0
197.13333	5.2
199.14798	9.3
201.16330	12.6
202.16670	2.2
203.14371	2.1
203.17905	12.6
205.15889	4.4
207.17502	3.7
209.13220	1.2
211.14838	4.7
213.16324	11.7
215.14505	3.4
215.17920	37.8
216.18320	1.9
217.15894	10.7
217.19571	4.5
219.13809	2.0
219.17552	2.5
223.14937	2.4
225.16394	4.4
227.17880	10.5
229.15948	1.7
229.19594	2.2
231.13861	1.7
231.17441	8.7
233.15369	5.6
233.18947	2.5
235.17029	3.3
237.16562	1.5
239.17894	2.8
241.19664	2.9
243.17497	1.2
243.21118	1.7
245.15459	2.2
247.17120	3.6
249.18588	4.4
251.18059	1.3
253.19632	2.7
255.21255	1.8
257.22601	2.9
259.16986	2.5
259.20526	1.6
261.18469	32.3
262.18906	2.3
265.19635	1.9
267.21072	2.4
269.22766	1.9
273.18488	8.1
279.21085	1.8
281.22742	1.5
285.22153	1.6
293.22635	6.0
295.24078	6.6
309.22214	1.5
315.26828	1.9
335.27646	1.4
339.23392	4.4
341.24884	3.3
341.28549	2.8
349.29004	2.4
359.29248	1.7
365.28113	8.2
367.26208	1.8
367.30206	3.8
369.31491	3.0
383.29596	2.4
385.23755	1.5
393.27762	3.7
395.29285	1.9
403.33936	3.1
411.28629	6.1
421.34842	21.9
439.35828	50.7
440.36349	1.4
457.36905	100.0
458.37369	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	457.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.3
57.07063	2.0
59.63911	0.6
67.05498	9.1
69.03407	1.0
69.07056	11.3
71.04982	12.4
71.08609	0.8
79.05475	8.2
81.06596	1.2
81.07044	22.6
82.07378	1.4
83.04966	1.9
83.08591	4.2
85.06506	1.1
91.05461	6.9
93.07034	19.5
95.04951	2.5
95.08589	27.2
95.73630	0.8
97.06521	2.6
97.10149	3.2
99.08062	5.9
99.94172	0.7
104.04397	0.8
105.07000	14.5
107.08575	37.4
109.06506	2.6
109.10140	24.1
111.08074	2.5
111.11735	1.4
114.83662	0.9
117.06976	2.4
119.08564	18.7
121.10126	28.5
122.10449	0.9
123.08048	3.3
123.11687	14.2
124.12037	0.9
125.05914	1.6
125.09606	11.5
127.07555	1.5
127.11163	2.6
128.48392	0.7
131.08528	6.3
133.10109	20.2
135.08035	7.6
135.11665	23.5
136.11920	0.8
137.09610	5.2
137.13240	3.7
139.11182	2.8
143.08624	1.7
143.10660	3.4
145.08984	0.9
145.10103	14.1
147.11646	13.5
149.09587	14.3
149.13217	10.5
151.11179	3.3
153.12732	1.1
157.10133	4.6
158.10751	1.0
159.11667	12.0
161.09619	1.5
161.13220	9.6
163.11200	2.3
163.14766	6.3
166.97696	0.8
167.10692	1.3
167.14241	1.1
171.11642	3.2
171.37711	0.7
173.13220	5.6
175.11140	1.5
175.14777	6.8
177.12679	1.3
177.16397	3.4
179.14328	2.1
183.11646	1.0
185.13211	1.9
187.14789	7.9
189.16342	7.7
191.14291	1.4
191.17928	21.9
193.15848	1.3
199.14748	3.7
201.16338	7.3
203.14337	0.9
203.17938	8.1
205.06303	0.8
205.15898	1.6
207.17418	2.0
209.15350	1.1
211.14815	1.9
212.73758	0.8
213.16417	4.7
215.14343	1.5
215.17848	4.8
217.15886	6.9
217.19395	4.0
223.16864	1.0
227.17999	1.7
229.19481	1.4
229.48088	0.8
231.17366	8.5
231.20956	1.2
233.15337	2.8
233.18805	1.7
235.16937	3.2
240.97577	0.9
241.19456	1.9
243.21089	1.8
247.17006	1.7
249.18565	4.1
253.19276	1.0
255.21057	1.8
257.22495	1.9
267.21152	1.2
299.23654	1.3
323.27216	1.0
341.28485	2.5
351.30618	1.0
353.28140	0.8
359.29449	1.3
369.31592	2.6
371.29443	2.3
389.30353	0.9
403.33661	1.7
421.34528	17.2
422.34866	1.5
439.35660	53.4
440.36017	2.8
457.36710	100.0
458.36884	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	457.3669
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.44867	1.9
51.27935	2.1
53.03945	2.3
55.05503	15.2
57.07056	7.3
65.03941	2.1
66.03197	2.1
67.05494	23.2
67.50174	1.9
69.07055	19.4
70.60831	1.7
71.04974	3.0
71.08604	2.2
79.05478	15.1
81.07044	42.8
83.08603	15.5
85.06537	2.5
91.05438	15.3
93.07021	42.5
95.04958	2.8
95.08595	99.7
97.06528	4.9
97.10156	5.2
98.21529	3.8
99.08099	2.5
105.07011	33.7
107.08575	67.3
109.06494	3.7
109.10140	66.3
111.08095	5.2
111.11698	2.0
117.07034	2.3
119.08565	65.5
121.10128	59.3
121.10958	4.2
123.08082	3.6
123.11695	25.7
125.09609	3.8
131.08562	8.9
133.10114	51.8
135.11668	52.2
137.13275	7.6
139.07599	3.2
139.11226	2.0
143.08601	3.4
145.10101	20.1
147.11671	42.7
147.93974	2.0
149.09647	2.2
149.13239	26.2
151.11221	2.6
153.09154	7.8
157.10129	3.9
159.11664	13.9
161.13240	31.2
161.14510	2.8
163.14796	34.8
165.09132	3.1
167.10641	4.4
171.11694	2.5
173.13297	7.0
175.14803	21.9
177.16345	19.5
179.10593	2.3
185.13330	4.3
187.14806	17.6
189.16356	93.2
191.17921	84.6
199.14937	3.8
201.16344	15.1
202.58017	2.1
203.17909	88.8
204.18416	2.5
205.15836	2.1
205.19492	13.1
205.28036	2.2
207.17451	6.4
213.16443	3.0
215.17906	9.8
217.19485	16.7
221.19093	7.2
229.19466	4.8
231.17606	2.6
231.21030	13.5
233.15497	2.4
235.16847	14.2
247.16943	5.3
249.18474	31.8
257.22592	4.4
261.18631	2.5
271.24371	4.9
275.19968	2.4
393.35297	11.0
411.36255	58.1
421.34500	6.1
439.30505	2.8
439.35904	46.0
440.35950	2.3
457.36871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3672
Annotation	Bacosine
Peak:m/z	Relative Intensity
51.77575	1.3
53.03936	1.7
55.05499	11.1
57.07082	7.2
57.07305	1.3
67.05493	19.1
69.07059	20.2
71.08623	2.0
79.05492	11.1
81.07043	47.9
82.30299	1.2
83.08615	9.1
84.68568	1.2
85.06532	1.2
85.10172	1.6
91.05466	10.8
93.07027	25.6
95.04979	2.1
95.08595	93.9
97.06507	1.5
97.10153	6.8
105.07011	22.9
107.08578	49.0
109.06542	1.6
109.09396	2.6
109.10145	53.8
110.41821	1.8
111.08078	2.6
111.11756	2.4
119.08568	45.8
119.09396	2.5
121.10130	44.1
123.08054	1.5
123.11691	31.3
129.07036	1.4
131.08554	7.1
133.10107	36.7
135.08011	1.5
135.11678	39.9
137.13237	17.7
139.07591	2.1
145.10112	9.0
147.11671	32.2
149.09596	2.1
149.13246	19.3
151.14864	2.8
153.09047	7.0
157.10153	2.6
159.11685	10.5
161.13240	19.1
163.14792	25.8
165.09129	1.6
167.10709	3.5
171.11670	2.0
173.13223	8.3
175.11224	1.6
175.14806	17.6
177.16359	16.0
179.14259	2.6
179.17943	9.7
185.13211	1.8
187.14780	13.6
189.16367	70.1
191.17921	56.7
193.12338	2.3
199.14902	3.9
201.16362	15.9
203.17934	70.1
204.18225	2.1
205.15915	1.6
205.19501	8.7
207.17401	7.3
213.16388	9.6
215.17931	20.9
217.12283	5.7
217.15822	1.5
217.19490	8.1
219.13776	1.9
219.17461	3.6
221.15456	3.0
221.19006	4.7
223.16879	1.5
227.18069	2.3
229.19505	4.4
231.17534	3.5
231.20999	10.3
233.15405	1.5
233.19141	1.5
235.16922	12.0
241.19637	2.0
243.21210	2.6
247.16945	5.8
249.18460	21.8
257.22617	3.9
259.16904	7.0
261.18454	15.3
271.24161	2.6
275.20090	2.8
277.21753	2.0
289.21771	2.1
297.26022	1.6
349.21811	1.3
393.30780	2.0
393.35510	11.2
394.35574	1.4
397.30948	2.1
411.36249	41.2
412.36890	2.3
421.31015	1.6
439.35941	39.5
440.36093	1.9
457.36810	100.0
458.37088	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	457.3669
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
53.03917	1.5
55.01879	1.4
55.05497	7.5
57.07066	2.4
59.04980	1.6
61.88800	1.1
67.05481	10.8
69.07069	8.1
69.66002	1.4
70.55871	6.6
71.04990	18.8
77.03911	1.2
79.05488	8.2
81.07040	24.2
83.08608	4.9
85.06519	1.3
91.05462	9.0
93.07026	22.5
95.04964	2.7
95.08595	33.0
97.06486	2.4
97.10165	2.9
99.08057	11.0
105.07018	16.1
106.03359	1.4
107.08574	53.6
109.06507	1.8
109.10141	25.0
111.08078	1.5
117.07015	3.0
119.08566	22.2
121.10131	35.3
123.08036	2.8
123.11688	13.9
125.06007	1.6
125.09601	12.0
127.07580	3.8
127.11182	5.2
131.08620	8.4
133.10104	24.1
135.08005	10.0
135.11678	26.3
137.09641	7.1
137.13220	4.1
139.11154	2.4
143.08583	3.4
143.10678	5.7
145.10101	21.7
147.11659	16.4
149.09596	25.9
149.13219	10.0
151.11197	4.6
157.10144	6.5
159.11694	14.2
161.09579	4.5
161.13239	13.7
163.11163	2.2
163.14844	7.2
171.11711	5.6
173.13228	7.9
175.11243	1.9
175.14793	7.5
177.16365	2.5
179.14307	1.8
183.11737	1.8
185.13318	3.8
187.14755	8.2
189.16393	12.4
191.14331	2.7
191.17906	25.7
193.15829	1.5
197.13286	2.4
199.14844	4.7
201.16368	9.1
203.17957	10.7
205.15836	2.2
207.17403	1.6
213.16402	6.5
215.17986	4.8
217.15816	11.3
217.19530	5.5
219.17482	2.4
227.17862	3.3
229.19516	1.9
231.17398	13.6
233.15427	3.1
235.16972	4.8
239.17998	2.1
241.19646	1.8
245.19138	1.9
249.18387	7.0
253.19768	1.6
257.22668	1.9
273.21964	1.4
283.20511	2.0
285.22012	1.7
299.23724	2.1
323.47122	1.5
335.27188	2.5
341.28555	3.5
351.30432	2.0
369.31616	3.2
403.33301	2.2
421.34662	27.5
439.35739	75.4
440.36133	5.3
457.36780	100.0
458.37061	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	457.3672
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05504	5.9
56.19413	0.9
57.07073	2.0
67.05497	10.8
69.07059	9.4
70.97207	2.5
70.97532	1.0
74.27655	1.0
79.05479	8.6
81.06595	1.5
81.07047	22.4
83.08601	4.0
91.05447	5.9
93.02399	0.9
93.07034	18.6
95.08595	52.3
97.10143	2.9
105.07024	10.3
107.08579	40.7
109.06503	1.2
109.10146	27.2
111.08030	1.6
117.07108	1.3
119.08570	20.9
121.09245	1.5
121.10126	31.3
123.08045	1.2
123.11681	8.9
131.08568	2.3
133.10114	15.8
135.11673	20.6
137.13239	2.9
145.10083	3.4
147.11674	13.7
149.13242	17.2
151.11223	1.2
159.11667	4.0
161.13223	11.6
163.14798	30.6
171.11746	1.2
173.13260	3.9
175.14838	10.3
177.16374	11.1
178.47002	1.0
179.14268	2.8
187.14824	7.6
189.16350	17.1
191.17912	20.7
201.16371	5.5
203.17935	25.3
205.19461	5.4
207.17409	6.0
215.17964	4.2
217.19421	6.0
221.18970	2.6
229.19423	2.0
231.21059	8.7
233.18977	1.9
233.22574	1.3
235.16896	1.6
243.20959	1.4
247.16835	2.1
249.18436	3.0
297.25677	5.9
315.26749	3.4
337.82120	1.0
341.28229	1.1
393.35025	7.2
394.36136	1.1
411.36166	100.0
412.36462	4.7
439.35715	7.8
457.36246	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	457.3673
Annotation	30-Hydroxy-11-oxo-beta-amyrin
Peak:m/z	Relative Intensity
55.05499	17.9
57.07076	10.5
58.66343	2.0
67.05492	31.2
69.03410	4.8
69.07055	43.8
70.07413	2.2
71.04995	9.5
71.48406	4.5
79.05472	21.5
81.07043	65.4
82.07380	5.4
83.04964	6.9
83.08606	13.9
85.06549	5.8
91.05463	27.2
93.07032	48.2
95.04971	6.9
95.08592	79.8
95.09186	5.0
96.08931	4.8
97.06519	6.9
97.10162	5.0
99.08087	3.6
105.07011	36.6
105.07607	3.1
107.08576	94.8
108.08948	7.2
109.06533	8.5
109.10143	69.3
109.10864	4.4
110.10493	8.3
111.08085	8.1
111.11707	6.2
111.24432	2.7
113.09613	2.6
117.07015	6.9
119.08572	57.7
119.09406	4.1
120.08932	6.4
121.06517	8.4
121.10126	68.5
121.10959	4.1
122.10497	9.8
123.08121	7.9
123.11684	46.0
123.12498	3.3
124.12009	12.4
125.09605	13.8
127.11185	3.6
129.06982	2.3
131.08548	18.1
132.08931	2.5
133.06531	2.8
133.10112	48.6
134.10500	3.4
135.08055	8.4
135.10753	2.1
135.11681	51.6
136.12036	4.3
137.05986	3.2
137.09637	5.0
137.13289	9.4
139.07474	2.4
139.11229	3.1
143.08546	7.2
145.10086	26.9
147.08026	4.5
147.11662	31.1
148.12024	3.3
149.09613	19.1
149.13243	22.3
150.13647	2.8
151.07521	2.8
151.11168	3.3
153.09151	2.6
153.12804	3.0
157.10150	9.0
159.11665	25.4
160.11980	3.3
161.09654	2.6
161.13272	23.5
162.13583	2.5
163.14784	16.6
165.09149	9.3
167.10704	4.0
169.10110	4.2
171.11743	10.4
173.13266	19.2
175.14815	17.5
177.09105	3.9
177.16435	9.2
179.10748	2.8
179.14258	3.4
183.10176	3.3
183.11668	4.4
185.13245	8.6
187.14827	24.1
189.16386	16.1
191.10765	4.4
191.14243	2.6
191.17932	25.8
197.13339	3.8
199.14839	8.1
201.16350	14.2
203.14410	4.6
203.18039	13.9
204.18144	2.8
205.15901	3.0
207.17560	3.0
213.16415	7.2
215.18039	5.4
217.15915	7.7
217.19548	7.4
218.62173	2.5
219.17502	2.9
227.17944	4.3
231.17448	5.8
235.16899	5.9
241.19548	3.1
247.16959	5.5
249.18246	3.1
255.21144	5.7
257.22714	2.7
259.20563	3.2
267.21198	3.2
277.21686	2.6
287.23669	2.5
315.23175	6.2
315.26532	2.8
317.24786	7.4
343.26349	2.4
353.28726	2.7
371.29321	20.6
379.33426	4.4
383.29471	4.1
389.30460	4.0
411.35986	3.0
421.34583	18.2
429.37500	3.5
439.35721	87.1
440.36020	5.6
457.26938	5.1
457.36694	100.0
458.37329	4.1
479.88370	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	457.3671
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03934	2.3
55.05503	14.6
57.03429	2.5
57.07055	6.3
67.05496	28.4
69.03378	2.0
69.04604	1.6
69.07055	25.3
71.04996	8.6
71.79473	2.1
73.06541	2.1
76.59860	1.5
79.05476	25.6
81.07044	61.0
82.07355	1.9
83.04965	3.2
83.08606	15.0
85.06522	4.5
85.10181	2.7
91.05456	22.4
93.07030	49.4
95.04961	8.2
95.08596	100.0
96.31452	1.5
97.06498	3.8
97.10146	6.7
99.08068	4.9
105.07014	53.9
107.08582	83.3
108.08898	2.3
109.06509	6.3
109.10143	63.1
110.10500	2.3
111.08072	3.9
111.11720	2.0
113.09673	2.0
117.07010	7.7
119.08571	76.4
120.08920	2.0
121.06510	2.2
121.10130	75.2
123.08047	4.2
123.11685	27.2
125.09619	6.0
129.06978	5.4
131.08557	23.9
133.06551	2.7
133.10109	58.9
135.08017	6.5
135.11674	53.4
135.12721	2.2
136.11986	2.3
137.09602	13.2
137.13252	10.9
139.07501	1.7
139.11165	3.7
142.07751	2.1
143.08542	8.7
145.10112	31.2
146.10420	1.7
147.08055	2.1
147.11665	44.6
149.09596	5.9
149.13225	28.5
150.20598	1.8
151.11183	4.6
151.14784	5.1
153.09111	5.7
153.12698	5.7
156.09370	1.6
157.10075	11.5
159.08022	1.8
159.11681	25.0
160.12196	1.5
161.09630	3.7
161.13249	34.9
163.14790	35.3
165.09059	2.3
165.12794	2.8
167.10654	4.9
169.10161	4.8
171.11650	8.9
172.12404	1.7
173.09554	2.2
173.13231	26.2
175.11119	2.9
175.14806	30.4
177.12723	3.8
177.16354	20.1
179.14256	8.1
183.11705	4.2
185.13229	12.4
187.14804	42.3
188.15207	3.3
189.16350	71.9
190.16722	4.2
191.14294	3.5
191.17929	61.0
193.15866	3.4
195.11710	2.0
197.13210	5.1
197.15369	2.7
199.14763	10.2
201.12685	2.4
201.16370	30.3
203.14395	2.3
203.16118	3.6
203.17940	63.8
204.18414	3.1
205.15845	4.5
205.19592	8.0
207.13806	2.9
207.17441	7.0
209.13229	1.8
211.14774	3.1
213.16396	12.2
215.14249	2.6
215.17905	23.4
217.15811	7.1
217.19473	11.1
219.13786	3.6
219.17363	1.6
219.21346	2.2
221.15312	4.4
221.18935	4.7
223.16901	2.8
225.16350	2.8
227.17877	6.2
229.14270	2.7
229.19521	7.0
231.17502	4.3
231.21080	7.8
233.15417	4.1
233.18848	2.0
235.16885	13.0
239.17992	2.4
241.19490	3.9
243.17516	2.1
243.21034	2.9
245.22664	2.6
247.16916	6.6
249.18507	19.5
251.17728	2.5
253.19366	2.2
255.21028	2.3
257.22470	2.9
259.16888	6.9
261.18491	5.4
263.20087	1.9
269.22549	3.5
275.20172	2.6
293.22604	2.5
295.24194	6.4
341.24716	7.9
367.29916	17.8
368.30225	2.2
393.31110	6.2
393.35153	6.2
395.09348	2.0
395.29395	3.0
411.31958	9.2
411.36786	29.7
413.29880	2.5
421.30630	3.3
421.35532	2.3
423.27228	3.1
439.31204	13.8
439.35593	31.2
457.32458	43.9
457.36874	56.8
458.32983	4.9
458.38257	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	457.3668
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
50.94969	0.9
54.94423	0.9
55.05503	5.0
57.03426	1.1
57.07064	1.0
65.03895	1.1
67.05492	7.0
69.07065	6.6
71.04652	1.3
71.04985	13.0
74.82403	1.0
75.88888	0.9
79.05480	6.3
81.07040	16.8
83.04946	1.2
83.08588	2.5
85.06529	1.0
89.05978	1.0
91.05468	7.3
93.06482	1.7
93.07028	18.1
95.08587	24.6
97.06505	2.8
97.10145	1.5
99.08083	7.0
102.23587	1.1
105.07008	12.2
107.08572	31.0
109.06493	2.3
109.10122	20.5
111.08028	1.7
115.05489	0.9
117.06979	1.3
119.08553	14.0
121.06543	1.2
121.10124	30.4
123.08068	1.7
123.11687	14.8
125.09621	7.2
127.07519	3.2
127.11176	2.6
131.08540	6.5
133.10112	18.8
133.76498	0.8
135.08023	6.5
135.11667	20.8
137.09598	6.3
137.13228	3.3
139.11148	1.6
141.62930	1.0
143.08530	1.9
143.10643	3.8
145.10107	15.0
147.11652	12.5
147.56723	1.0
149.09595	13.5
149.13222	8.1
151.11145	3.6
151.14706	1.3
157.10066	6.0
159.11646	9.9
161.09599	1.6
161.13242	9.3
163.11205	1.6
163.14787	5.3
167.14362	1.0
171.11682	2.6
173.13220	5.6
175.11153	0.9
175.14798	6.1
177.16362	2.0
179.14270	2.2
185.13278	3.2
187.14767	6.6
189.16406	7.0
191.14262	1.9
191.17906	20.9
197.13307	1.7
199.14856	4.1
201.16313	8.4
203.17903	8.6
205.15817	2.3
207.17395	1.8
213.16374	3.9
215.14471	0.9
215.17961	4.0
217.15862	9.6
217.19421	4.5
219.17422	1.4
227.18015	1.1
229.15884	1.3
229.19383	1.1
231.17342	9.6
233.15297	4.6
233.18996	1.4
235.16933	4.0
243.20905	2.1
245.19060	1.1
249.18501	4.1
257.22522	1.3
281.22882	1.0
285.22031	1.2
299.23654	1.1
321.25851	1.2
323.27280	1.8
335.27460	1.0
341.28433	2.3
351.30548	1.8
353.28217	1.1
359.29449	1.1
365.28314	1.3
367.26270	2.1
369.27670	2.2
369.31653	2.5
413.26657	1.8
421.34573	24.8
422.34622	1.4
439.35657	60.5
440.35977	2.6
454.93607	1.0
457.36703	100.0
458.37048	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3669
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
55.05499	5.3
57.07063	2.0
59.63911	0.6
67.05498	9.1
69.03407	1.0
69.07056	11.3
71.04982	12.4
71.08609	0.8
79.05475	8.2
81.06596	1.2
81.07044	22.6
82.07378	1.4
83.04966	1.9
83.08591	4.2
85.06506	1.1
91.05461	6.9
93.07034	19.5
95.04951	2.5
95.08589	27.2
95.73630	0.8
97.06521	2.6
97.10149	3.2
99.08062	5.9
99.94172	0.7
104.04397	0.8
105.07000	14.5
107.08575	37.4
109.06506	2.6
109.10140	24.1
111.08074	2.5
111.11735	1.4
114.83662	0.9
117.06976	2.4
119.08564	18.7
121.10126	28.5
122.10449	0.9
123.08048	3.3
123.11687	14.2
124.12037	0.9
125.05914	1.6
125.09606	11.5
127.07555	1.5
127.11163	2.6
128.48392	0.7
131.08528	6.3
133.10109	20.2
135.08035	7.6
135.11665	23.5
136.11920	0.8
137.09610	5.2
137.13240	3.7
139.11182	2.8
143.08624	1.7
143.10660	3.4
145.08984	0.9
145.10103	14.1
147.11646	13.5
149.09587	14.3
149.13217	10.5
151.11179	3.3
153.12732	1.1
157.10133	4.6
158.10751	1.0
159.11667	12.0
161.09619	1.5
161.13220	9.6
163.11200	2.3
163.14766	6.3
166.97696	0.8
167.10692	1.3
167.14241	1.1
171.11642	3.2
171.37711	0.7
173.13220	5.6
175.11140	1.5
175.14777	6.8
177.12679	1.3
177.16397	3.4
179.14328	2.1
183.11646	1.0
185.13211	1.9
187.14789	7.9
189.16342	7.7
191.14291	1.4
191.17928	21.9
193.15848	1.3
199.14748	3.7
201.16338	7.3
203.14337	0.9
203.17938	8.1
205.06303	0.8
205.15898	1.6
207.17418	2.0
209.15350	1.1
211.14815	1.9
212.73758	0.8
213.16417	4.7
215.14343	1.5
215.17848	4.8
217.15886	6.9
217.19395	4.0
223.16864	1.0
227.17999	1.7
229.19481	1.4
229.48088	0.8
231.17366	8.5
231.20956	1.2
233.15337	2.8
233.18805	1.7
235.16937	3.2
240.97577	0.9
241.19456	1.9
243.21089	1.8
247.17006	1.7
249.18565	4.1
253.19276	1.0
255.21057	1.8
257.22495	1.9
267.21152	1.2
299.23654	1.3
323.27216	1.0
341.28485	2.5
351.30618	1.0
353.28140	0.8
359.29449	1.3
369.31592	2.6
371.29443	2.3
389.30353	0.9
403.33661	1.7
421.34528	17.2
422.34866	1.5
439.35660	53.4
440.36017	2.8
457.36710	100.0
458.36884	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	457.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94969	0.9
54.94423	0.9
55.05503	5.0
57.03426	1.1
57.07064	1.0
65.03895	1.1
67.05492	7.0
69.07065	6.6
71.04652	1.3
71.04985	13.0
74.82403	1.0
75.88888	0.9
79.05480	6.3
81.07040	16.8
83.04946	1.2
83.08588	2.5
85.06529	1.0
89.05978	1.0
91.05468	7.3
93.06482	1.7
93.07028	18.1
95.08587	24.6
97.06505	2.8
97.10145	1.5
99.08083	7.0
102.23587	1.1
105.07008	12.2
107.08572	31.0
109.06493	2.3
109.10122	20.5
111.08028	1.7
115.05489	0.9
117.06979	1.3
119.08553	14.0
121.06543	1.2
121.10124	30.4
123.08068	1.7
123.11687	14.8
125.09621	7.2
127.07519	3.2
127.11176	2.6
131.08540	6.5
133.10112	18.8
133.76498	0.8
135.08023	6.5
135.11667	20.8
137.09598	6.3
137.13228	3.3
139.11148	1.6
141.62930	1.0
143.08530	1.9
143.10643	3.8
145.10107	15.0
147.11652	12.5
147.56723	1.0
149.09595	13.5
149.13222	8.1
151.11145	3.6
151.14706	1.3
157.10066	6.0
159.11646	9.9
161.09599	1.6
161.13242	9.3
163.11205	1.6
163.14787	5.3
167.14362	1.0
171.11682	2.6
173.13220	5.6
175.11153	0.9
175.14798	6.1
177.16362	2.0
179.14270	2.2
185.13278	3.2
187.14767	6.6
189.16406	7.0
191.14262	1.9
191.17906	20.9
197.13307	1.7
199.14856	4.1
201.16313	8.4
203.17903	8.6
205.15817	2.3
207.17395	1.8
213.16374	3.9
215.14471	0.9
215.17961	4.0
217.15862	9.6
217.19421	4.5
219.17422	1.4
227.18015	1.1
229.15884	1.3
229.19383	1.1
231.17342	9.6
233.15297	4.6
233.18996	1.4
235.16933	4.0
243.20905	2.1
245.19060	1.1
249.18501	4.1
257.22522	1.3
281.22882	1.0
285.22031	1.2
299.23654	1.1
321.25851	1.2
323.27280	1.8
335.27460	1.0
341.28433	2.3
351.30548	1.8
353.28217	1.1
359.29449	1.1
365.28314	1.3
367.26270	2.1
369.27670	2.2
369.31653	2.5
413.26657	1.8
421.34573	24.8
422.34622	1.4
439.35657	60.5
440.35977	2.6
454.93607	1.0
457.36703	100.0
458.37048	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3306
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
55.05496	11.3
57.07053	9.4
67.05491	13.7
67.92066	1.8
68.79516	2.3
69.03404	2.7
69.07056	19.1
79.05483	13.2
81.07040	31.4
83.08617	9.9
85.06520	3.9
91.05452	12.6
93.07030	30.5
94.62255	2.1
95.04946	3.1
95.08595	45.7
96.08913	2.0
97.06555	2.1
97.10136	10.0
105.07021	32.4
107.08575	55.9
109.06480	3.6
109.10136	28.3
111.08043	3.7
114.41565	1.9
117.06955	7.4
119.08558	45.4
121.06493	5.4
121.10126	49.6
123.08041	7.2
123.11674	13.1
125.09598	2.4
129.06952	3.0
131.08565	29.4
133.10110	29.9
135.08040	9.1
135.11661	25.8
137.09628	5.2
137.13226	20.9
143.08507	9.2
144.09308	2.1
145.10112	42.5
147.11658	21.9
149.09587	24.5
149.13246	29.5
151.11188	3.1
151.14816	3.1
153.09099	5.8
155.08530	3.2
156.48657	2.0
157.10107	6.5
159.11665	23.5
159.13902	2.2
161.13252	20.3
163.11172	4.2
163.14787	18.8
167.10649	3.7
169.10077	3.7
171.11661	8.7
173.13232	21.3
173.15723	2.2
175.11148	2.2
175.14792	34.8
177.12764	2.5
177.16360	20.7
179.14302	3.8
181.12184	6.0
183.11711	3.8
185.13235	15.4
187.14787	94.5
188.15030	2.3
189.16344	16.1
191.14293	7.0
191.17931	6.4
193.15840	3.4
197.13289	4.8
197.15356	3.2
199.14757	8.2
201.12949	2.8
201.16341	36.4
203.14253	2.5
203.17929	13.7
205.15822	7.9
207.17474	3.9
211.14778	4.4
213.16315	10.9
215.17885	16.7
217.19449	2.6
219.17409	25.2
221.15327	3.8
223.14799	2.8
223.16910	3.9
225.16269	3.0
227.17870	6.0
229.19560	4.8
231.21129	2.2
233.15295	6.6
235.16904	2.3
239.17799	3.3
241.19386	2.7
255.20923	2.6
257.18848	2.3
261.18399	4.3
271.16882	2.9
281.22650	7.7
283.23926	2.4
295.24133	2.3
305.54077	2.6
327.23096	8.3
341.24420	2.9
351.30374	3.6
375.30429	8.6
393.31430	100.0
394.31659	3.4
395.32904	12.6
397.30972	26.8
411.32474	39.7
413.34131	2.5
421.30832	25.4
439.31717	32.3
457.32745	9.7
469.66672	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	457.3307
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03936	1.5
55.05496	11.6
57.07066	5.6
67.05504	10.2
69.07053	18.0
70.05685	6.7
77.03927	1.2
77.79346	1.0
79.05477	11.0
79.23640	1.3
79.34406	1.0
81.06590	2.0
81.07044	27.4
83.04938	2.0
83.08588	7.6
89.40819	1.1
91.05454	12.1
93.07027	28.0
93.55556	1.1
95.08589	44.1
97.06493	1.8
97.10152	4.7
98.20771	2.2
99.08050	2.3
105.06313	2.3
105.07011	35.0
107.08570	56.5
108.42545	1.2
109.06514	2.7
109.10134	26.1
111.08068	4.7
111.11703	1.5
117.06968	4.0
119.08562	58.7
120.08864	1.1
121.06490	2.5
121.10129	67.0
122.10443	1.8
123.08017	4.4
123.11689	8.8
125.09643	1.8
127.07503	1.4
129.06981	2.4
131.08530	17.1
133.10104	60.2
135.07982	6.9
135.10713	1.9
135.11668	17.9
137.09546	2.7
137.13226	8.6
139.07512	4.3
143.08521	4.3
145.10094	37.5
147.08035	1.7
147.11665	28.8
148.20911	1.2
149.09590	7.7
149.13234	17.7
151.11159	2.6
151.14801	3.2
153.09096	17.7
155.08493	1.2
157.10097	5.3
159.11674	15.6
161.09656	2.5
161.13231	34.1
163.11131	4.3
163.14796	30.0
163.21338	1.2
165.09073	4.7
167.10649	12.0
169.10071	2.3
171.11671	6.7
173.09633	1.5
173.13251	13.0
174.67108	1.2
175.11124	1.2
175.14796	29.2
177.12798	1.8
177.16360	24.6
179.10649	7.3
179.14316	1.4
181.12180	6.8
183.11656	1.7
185.13222	4.9
187.14786	100.0
188.15137	1.8
189.16351	92.3
190.16640	2.1
191.14229	3.4
191.16252	2.1
191.17912	22.0
193.12163	2.1
193.15820	1.7
195.13719	2.5
197.13281	1.7
199.14758	6.6
201.16354	43.8
203.14275	2.1
203.17915	32.0
205.15802	10.7
207.13754	3.7
207.17371	1.4
209.15376	3.9
211.14633	2.1
213.16347	10.5
215.17923	9.6
217.15775	2.7
217.19466	2.3
219.13802	3.4
219.17378	8.0
221.15308	8.9
223.16852	7.2
225.16414	1.8
227.17867	3.6
229.19481	6.0
231.21051	2.4
233.15311	2.2
235.16927	9.4
237.18459	9.1
239.17805	2.0
241.19455	3.5
245.15450	1.7
247.16844	7.3
249.14658	1.7
249.18558	2.3
255.21078	3.1
261.18408	3.7
273.18628	1.5
275.19910	2.8
319.23987	1.5
341.24542	2.2
351.30487	6.6
375.30350	9.4
377.31891	1.7
393.31384	42.3
394.31708	1.2
395.33206	1.7
397.30984	3.7
411.32501	70.2
412.32480	1.5
413.33759	2.2
421.30679	8.9
439.31543	15.5
457.32584	23.1
457.68710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3308
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
51.49712	1.3
55.05505	9.3
57.03429	1.2
57.07059	6.1
67.05489	10.2
69.07056	13.2
69.44672	16.2
71.04972	2.1
71.08613	1.9
71.72058	1.4
79.05490	8.5
81.07045	20.0
83.04980	1.2
83.08601	9.8
85.06526	1.6
91.05440	10.0
93.06439	1.0
93.07024	25.9
93.07573	2.4
95.08592	30.3
97.06522	2.1
97.10151	4.4
102.86372	1.3
105.07018	24.2
107.08575	50.2
109.06518	4.3
109.10140	23.0
111.08068	5.5
117.06996	4.8
119.08564	47.0
121.06485	1.5
121.10123	56.8
123.08076	5.1
123.11689	10.8
130.07793	1.8
131.08554	20.3
133.10103	42.0
135.08047	5.7
135.11670	14.9
137.09631	4.1
137.13242	12.0
138.24619	1.3
139.07547	3.7
143.08545	4.6
145.10103	40.2
147.08109	1.8
147.11665	25.1
149.09593	7.6
149.13242	17.4
151.11201	2.0
151.14775	1.8
153.09096	17.1
155.08559	1.5
157.10115	4.8
159.11659	14.1
161.09579	2.9
161.13217	18.6
163.11169	4.9
163.14798	26.0
165.09131	2.9
167.10667	14.1
171.11681	5.2
172.12447	1.5
173.13232	14.1
175.11087	1.4
175.14781	26.3
177.09085	2.3
177.12680	1.6
177.16367	16.8
179.10664	3.6
181.12233	4.8
183.11606	1.7
185.13240	5.3
187.14793	100.0
189.16354	65.5
190.16763	2.0
191.10677	2.1
191.14206	1.8
191.17970	5.4
193.12137	2.1
195.13719	1.5
197.15387	1.9
199.14827	3.9
201.12582	1.6
201.16359	53.9
203.14293	1.4
203.17924	14.9
205.15897	10.7
207.17360	3.2
209.15294	3.2
213.16367	6.3
215.17880	10.3
217.15840	2.5
217.19446	2.0
219.13890	2.2
219.17346	7.9
221.15329	8.5
223.14908	2.8
223.16934	8.2
225.16429	2.2
227.17931	4.1
229.19536	10.2
233.15405	2.2
235.16913	12.4
237.18463	11.5
241.19434	3.6
243.21027	1.7
245.15320	1.5
247.16957	6.9
249.18422	3.3
255.21191	2.1
261.18478	4.9
271.20276	1.7
275.20163	2.1
281.22519	2.3
319.24203	1.6
334.87927	1.6
337.25528	1.6
351.30475	6.5
375.30365	11.7
377.31940	1.5
393.31470	46.3
397.30911	2.5
411.32538	82.7
412.32751	2.5
421.30771	7.9
439.31445	8.1
457.31793	6.3
457.37338	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	457.3305
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
55.05507	16.6
57.07062	5.2
67.05503	12.4
69.03411	1.9
69.07053	21.0
69.52445	19.0
71.04990	3.0
79.05477	14.1
80.48396	2.0
81.07046	32.8
82.88212	2.0
83.04975	2.2
83.08598	8.7
85.06528	2.7
91.05462	19.0
93.07028	43.7
95.04955	2.9
95.08595	50.4
97.06506	5.3
97.10150	7.3
98.21450	4.6
99.08068	4.2
105.07011	40.5
107.08572	56.4
109.06485	4.4
109.10143	34.3
111.08067	8.5
113.06009	2.4
117.06988	7.2
119.08560	50.1
121.06496	3.2
121.10126	63.7
123.08031	9.5
123.11700	18.8
125.09589	3.1
126.10396	2.1
129.06976	5.6
131.08537	22.2
133.06453	2.4
133.10098	49.2
135.08017	12.9
135.11670	24.0
137.09596	6.1
137.13258	10.2
139.11102	2.3
143.08533	7.7
145.10106	46.5
147.10716	2.5
147.11687	26.1
149.09607	18.5
149.13228	21.3
151.07539	2.4
151.11191	3.2
151.14755	2.0
153.09067	10.2
156.09296	2.5
157.10092	8.7
158.10873	2.4
159.11678	20.0
161.09564	4.2
161.13229	21.9
163.11119	6.0
163.14795	25.8
165.09143	3.0
167.08504	2.9
167.10657	7.3
169.10095	4.7
171.11633	6.6
173.13252	18.4
175.11130	5.1
175.14818	32.3
176.43448	2.4
177.12726	2.4
177.16336	23.9
179.14238	2.4
181.12184	6.5
183.11676	2.2
185.13235	10.9
186.07356	2.2
187.14789	100.0
188.15121	3.2
189.12717	5.0
189.16365	50.1
191.14183	2.8
191.17950	12.1
193.15886	2.3
197.13226	3.4
199.14775	9.6
201.11000	2.6
201.12662	3.6
201.16347	40.3
203.14287	6.6
203.17941	21.0
205.15878	11.0
211.14732	3.2
213.16354	10.9
215.17888	13.8
217.15828	8.1
217.19318	2.7
219.13893	2.8
219.17403	12.7
221.15378	4.2
223.14853	3.3
223.16971	5.6
225.16322	3.1
227.17889	3.1
229.15739	2.6
229.19508	3.4
231.17535	2.8
233.15367	3.5
235.16856	7.1
237.18489	5.5
239.17830	3.7
241.19571	3.4
247.16840	4.8
249.18474	2.9
261.18393	5.3
270.28119	2.3
281.22482	2.8
283.23990	2.5
287.23480	2.5
309.22147	3.1
327.23117	3.6
333.25717	2.4
351.30533	2.8
365.17294	2.0
375.30280	6.6
393.26715	3.5
393.31473	52.5
395.33041	4.7
397.30963	10.3
411.32425	53.9
413.34079	4.3
421.30859	18.6
439.31842	67.2
457.32425	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	457.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01872	1.8
55.05507	11.2
57.03426	2.4
57.07067	3.9
65.03934	2.5
67.05495	19.2
69.03433	2.1
69.07054	18.8
71.04985	14.9
79.05476	16.2
81.07045	43.1
83.04963	2.0
83.08615	10.0
85.06555	1.5
89.06037	1.1
91.05463	21.2
93.07033	33.7
95.05024	1.5
95.08595	56.6
96.08931	1.7
96.44840	1.2
97.06515	3.3
97.10186	3.3
99.08080	8.7
104.40303	1.2
105.07012	36.8
107.08578	81.5
109.06496	7.4
109.10139	45.9
111.08089	4.4
111.11702	1.8
117.07002	8.9
119.08570	50.9
119.47215	1.0
120.08913	1.2
121.06521	4.6
121.09248	2.7
121.10127	51.6
123.08080	4.7
123.11678	21.0
125.06023	1.5
125.09618	24.5
127.07576	4.3
127.11192	5.0
127.55032	1.2
128.06194	1.5
129.07002	4.2
131.08531	22.3
133.10104	35.6
135.08057	7.3
135.11671	31.4
135.12610	1.9
137.09601	7.9
137.13237	9.2
139.11230	2.3
141.06935	1.2
142.07785	2.5
143.08551	9.9
143.10631	1.4
145.10104	37.9
145.11194	2.1
147.08099	2.5
147.11671	28.2
149.09593	25.9
149.10771	1.4
149.13234	17.3
151.11137	7.0
153.09242	1.6
153.12703	2.2
155.08578	3.6
156.09348	2.1
157.10117	13.5
159.08098	2.4
159.11674	25.7
161.09616	3.5
161.13231	18.0
163.11240	3.5
163.14799	9.8
165.12794	2.6
169.10168	5.3
171.11668	15.9
173.09641	2.5
173.13234	25.3
174.13931	1.5
175.11272	3.3
175.14801	18.6
177.12775	3.0
177.16403	5.9
179.14342	2.6
181.10100	2.3
183.11615	6.8
185.13248	10.5
187.11224	1.5
187.14809	21.7
188.15224	1.5
189.12727	1.9
189.16377	13.4
191.14362	3.6
191.17911	23.6
193.15921	2.3
195.11778	2.6
197.13191	6.6
199.14815	14.7
201.12727	1.4
201.16371	15.7
203.14368	2.3
203.17918	12.1
205.15909	3.8
205.19397	1.5
207.13669	1.5
207.17465	4.0
209.13321	2.4
211.14970	5.5
213.16373	18.1
215.14436	4.3
215.17911	60.5
216.18394	2.0
216.20473	1.3
217.12291	2.7
217.15874	12.4
217.19357	6.0
219.13779	1.4
219.17406	2.3
221.13344	1.8
221.15433	2.1
223.14894	3.5
223.16948	2.7
225.16357	7.1
227.17900	15.8
229.19545	2.5
231.17435	10.1
233.15375	5.9
233.19032	1.6
235.16942	4.4
237.16412	4.6
239.18034	4.8
241.19638	4.5
243.17551	1.4
243.21098	1.7
247.17010	4.3
249.18629	4.8
251.18044	2.6
253.19632	3.2
257.19086	1.4
257.22617	2.8
259.16864	5.9
261.18469	60.8
262.18994	2.3
265.19543	2.4
267.21143	4.7
269.19220	2.1
269.22626	1.4
271.16937	2.4
273.18451	13.2
277.19501	1.5
281.22778	2.6
283.31015	1.3
293.22491	8.2
295.24139	10.4
299.23782	1.7
309.22208	1.8
311.20343	1.6
315.26553	1.7
321.22168	1.4
321.26016	1.6
323.23853	1.8
335.27164	1.5
337.28973	1.7
339.23135	9.6
341.24762	7.2
347.27441	2.2
349.28967	2.9
365.28317	18.1
367.26300	2.7
367.30173	5.9
369.24258	2.0
369.31833	2.5
375.26813	2.1
383.29614	3.7
385.23834	4.1
393.27551	7.2
395.29684	3.4
411.28461	11.9
413.26425	2.2
421.34732	22.8
422.34842	1.4
439.35944	51.2
457.32211	4.7
457.36960	100.0
458.37512	2.6
482.94241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2942
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
53.03928	1.2
55.05499	6.6
56.29437	1.4
57.03419	2.0
57.07051	3.3
57.81836	1.1
59.94827	1.1
65.03973	1.7
67.05499	11.7
69.03434	1.8
69.07059	10.2
70.18556	7.3
71.04971	3.6
78.31525	1.0
79.05478	12.2
81.07047	23.2
83.04951	2.3
83.08610	5.7
85.06517	1.6
85.75145	1.3
91.05469	14.5
93.06489	2.1
93.07033	27.1
95.04955	3.4
95.08591	31.0
97.06515	3.8
97.10146	2.3
99.08072	5.9
103.95274	1.1
105.07018	31.7
107.08572	44.1
108.08921	1.2
109.06520	2.2
109.10138	19.2
111.08067	2.1
115.05394	1.4
117.06972	7.4
119.08555	38.4
121.06528	1.2
121.09252	1.6
121.10128	31.6
123.08073	2.3
123.11704	10.8
125.09602	2.6
127.07584	2.0
128.06148	2.2
129.06985	5.7
130.07742	2.1
131.08543	24.0
133.06461	1.6
133.10114	25.0
135.08052	3.4
135.10724	2.4
135.11676	22.8
137.09612	2.9
137.13222	2.7
141.06941	1.4
143.08536	12.7
144.09296	1.6
145.10109	26.9
147.08034	1.3
147.11674	18.9
149.09604	4.7
149.13225	13.7
151.07510	2.2
151.11076	2.7
155.08508	4.6
156.09291	1.8
157.10118	15.6
158.10851	6.1
159.11668	27.0
161.09619	2.4
161.13240	20.5
163.11174	2.4
163.14830	10.0
164.00003	1.2
165.12723	2.3
168.09274	1.3
169.10112	11.0
171.11668	19.4
173.09807	1.6
173.13239	59.1
174.13722	3.5
175.14772	15.4
177.12755	2.3
177.16415	3.1
179.14334	1.9
181.10071	2.4
183.11700	5.9
184.12482	1.7
185.13217	11.3
187.14830	18.7
189.12758	2.7
189.16389	8.5
191.10629	1.7
191.14417	2.5
191.17946	5.8
193.15945	2.5
195.11627	5.9
197.13190	9.4
199.14781	15.6
201.12730	1.2
201.16383	8.0
203.14346	1.8
203.17960	4.1
205.15904	4.2
207.11760	1.8
207.17413	4.2
209.13228	5.7
211.14830	8.0
213.16383	9.4
215.14296	1.6
215.17937	10.2
217.12199	2.4
217.15845	5.7
217.19357	2.0
219.13785	1.5
222.27724	1.3
223.14771	6.0
225.16347	12.9
227.14456	1.5
227.17912	16.7
229.15921	2.3
229.19492	1.9
231.13829	1.9
231.17339	2.0
233.15445	2.5
235.16896	1.9
237.16435	6.3
239.18015	9.2
241.19499	3.3
243.17540	2.1
249.16290	1.9
251.17975	4.1
253.19519	3.1
257.15308	2.3
257.19077	1.4
259.16852	3.0
261.18423	10.3
263.17896	2.6
265.19424	2.1
267.21158	1.9
269.15384	3.4
271.16837	4.6
271.19977	1.3
273.18484	17.3
277.19589	3.5
278.20306	1.7
279.20969	3.5
283.16974	4.0
285.18570	4.0
291.20987	4.6
293.22629	4.3
295.24106	2.6
319.24139	2.1
321.25983	2.0
323.23544	2.1
323.27222	1.6
332.24677	1.7
339.23035	2.0
341.24768	2.5
347.27316	23.6
349.28766	2.9
365.28357	18.1
367.26147	3.3
367.30023	3.8
369.27872	2.9
375.26773	2.3
393.27774	100.0
394.28223	4.2
395.29437	5.4
411.28827	82.3
412.28879	3.1
413.26340	2.2
421.30881	5.7
439.28305	10.1
439.35825	4.2
457.28995	11.2
457.37100	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32351	2.1
55.05501	11.5
57.03438	2.3
57.07061	5.3
67.05500	18.6
69.03411	4.0
69.07055	22.8
71.04972	8.2
71.08627	2.2
71.79848	2.5
72.54197	2.1
79.05482	14.7
81.07040	38.8
83.04935	4.1
83.08601	8.7
85.06538	3.3
91.05462	18.1
93.07029	31.5
95.04931	3.1
95.08594	58.1
96.79568	2.2
97.06501	5.3
97.10146	5.1
99.08092	7.4
105.07019	45.1
107.08575	49.1
109.06494	5.9
109.10149	35.4
111.08090	3.2
117.06985	8.3
119.08561	65.0
121.06528	3.4
121.10125	51.4
123.08029	4.3
123.11675	22.7
125.09612	9.7
129.06969	6.6
131.08539	28.7
133.10104	42.2
133.95007	2.2
135.08049	7.0
135.11653	22.6
136.11945	2.3
137.09554	3.9
137.13200	6.6
139.11208	3.4
143.08577	14.6
145.10091	44.8
147.08072	4.5
147.11636	31.6
149.09605	7.1
149.13251	14.7
151.11186	6.3
153.09074	7.3
155.08553	6.9
156.09331	4.1
157.10092	24.5
159.07997	3.7
159.11676	26.6
161.09610	4.8
161.13239	18.6
163.11137	5.0
163.13660	2.2
163.14761	12.1
165.09163	2.7
165.12766	4.5
169.10135	10.8
171.11678	24.5
173.09598	4.0
173.13234	28.3
175.11218	4.3
175.14810	21.4
177.12712	6.1
177.16359	7.1
179.10579	2.9
179.14282	3.0
183.11682	8.0
185.13246	13.3
187.14784	37.8
189.12698	2.9
189.16374	27.4
191.17903	14.3
192.31880	2.3
195.11708	3.5
197.13214	9.9
199.14790	16.3
201.12801	3.3
201.16402	24.0
203.14365	5.5
203.17979	14.3
205.12202	2.3
205.15889	8.3
209.13197	3.3
211.14835	7.6
213.16293	12.9
215.14464	4.9
215.17928	80.8
216.18246	4.7
217.12228	2.8
217.15863	6.0
217.19398	2.4
219.13812	4.8
219.17488	4.5
221.15326	3.6
222.88808	2.2
223.14845	3.4
223.16873	3.2
225.16368	10.5
227.17896	20.5
231.17430	4.0
233.15401	6.6
233.19044	2.9
235.16800	3.7
237.16339	3.0
239.18008	5.2
243.17471	2.3
243.21176	2.4
245.15349	4.4
247.16887	5.0
251.17972	3.6
253.19542	3.1
255.21132	2.3
257.58966	2.1
259.16986	8.2
261.18460	100.0
265.19547	3.6
267.20923	5.8
269.19064	2.9
271.16913	5.9
271.20569	3.2
273.18430	20.0
283.16937	2.8
287.19919	4.0
293.22592	20.1
295.20996	2.7
295.24130	12.1
307.23938	2.5
309.22076	4.0
311.19705	2.2
313.21466	3.2
321.21960	2.6
339.23114	17.3
341.24631	12.5
347.27155	2.7
349.28867	2.8
365.28366	27.6
367.25909	4.7
367.29910	12.1
369.27878	5.2
376.17426	2.3
378.36398	2.3
383.29367	6.0
385.23688	10.4
393.27271	4.8
393.32040	10.3
395.29218	4.3
403.29388	2.7
411.28186	22.1
411.32813	8.2
421.30383	4.3
421.35150	5.0
439.31390	7.6
439.35803	11.1
457.28860	10.8
457.32846	6.9
457.36865	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	457.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01830	1.2
55.05489	7.2
57.07063	3.7
59.04979	1.4
59.35759	1.1
61.09926	1.2
67.05497	13.2
69.07052	13.0
69.80411	10.2
71.04990	8.4
73.06577	1.3
79.05488	9.4
81.06598	2.2
81.07041	28.1
83.08624	7.1
91.05453	10.5
93.06483	2.2
93.07034	23.1
95.04941	2.6
95.07987	2.8
95.08591	43.2
96.08904	1.3
97.06525	2.8
97.10123	1.6
97.73846	1.6
99.08064	4.0
101.21584	1.2
105.07018	28.2
107.08578	38.7
107.09306	1.9
109.06473	2.2
109.10139	25.3
110.68749	1.3
111.08060	1.4
115.05396	1.4
117.06996	5.6
119.08565	45.9
120.08890	1.6
121.10126	27.9
123.08136	1.5
123.11689	19.6
125.09600	6.2
129.06976	5.9
131.08543	19.5
133.10097	23.7
135.08044	2.7
135.11673	18.9
137.09636	2.9
137.13239	7.0
139.11139	2.3
141.06961	2.4
142.07782	1.4
143.08572	11.7
143.10655	1.7
144.09309	2.0
145.10097	32.1
147.11688	19.7
149.09572	6.1
149.13246	13.0
151.07498	1.5
151.11151	5.5
153.09174	1.6
153.12688	1.9
153.78404	1.4
155.08534	4.7
156.09329	1.6
157.10100	16.5
159.11676	19.4
161.09547	1.7
161.13240	12.5
163.14796	5.0
165.12717	1.8
166.68347	1.4
167.14351	1.5
169.10080	5.9
171.11667	20.4
172.12009	1.7
173.13242	26.4
175.11208	1.7
175.14822	12.4
177.12663	2.1
179.14375	1.5
181.10158	2.6
183.11687	8.3
184.12399	1.6
185.13235	11.6
187.14835	10.9
189.09204	1.5
189.16388	8.8
191.14325	2.0
191.17920	9.6
191.79253	1.5
195.11668	3.5
197.13254	8.6
199.14803	13.2
201.16354	15.0
203.14159	1.4
203.17920	5.2
205.11961	1.4
205.15804	2.2
207.11708	1.8
209.13232	3.8
211.14798	5.7
213.16335	16.6
215.17917	91.4
216.18376	2.1
217.15828	4.9
217.19519	2.8
219.13774	3.5
219.17320	1.9
221.15289	2.2
223.14751	4.3
223.31888	1.5
225.16348	8.7
227.17912	21.5
229.15855	2.0
229.19485	1.4
231.13712	1.9
231.17384	5.1
233.15273	3.2
235.14833	2.0
237.16391	4.5
239.17946	6.6
241.19460	3.0
243.17313	2.3
245.15356	1.8
247.16800	4.6
248.93848	1.4
249.18588	2.2
251.17860	3.1
253.19568	2.2
259.16849	8.0
261.18466	100.0
262.18826	2.0
265.19238	3.0
267.21048	6.3
267.34329	1.5
269.18933	3.9
271.16858	4.2
273.18420	22.0
277.19366	1.6
279.21103	1.9
281.22650	2.0
283.16882	1.5
285.18512	2.8
293.22620	15.3
295.20892	2.0
295.24097	14.6
305.22681	2.0
309.22079	3.2
311.19922	2.2
313.21451	2.2
321.25705	5.7
323.23651	2.6
323.27200	3.2
325.21548	1.9
337.28882	2.0
339.23163	14.9
341.24667	15.0
347.27325	5.5
349.28857	2.3
351.22800	1.5
365.28281	25.1
367.25909	7.3
367.30145	10.4
369.27896	7.4
383.29398	5.8
385.23621	7.6
393.27863	12.6
393.77808	1.5
395.29419	4.0
411.28946	25.8
413.26459	9.7
413.31479	1.8
421.34454	5.0
429.30057	2.1
439.28354	6.9
439.35587	22.3
457.29431	15.2
457.36609	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51868	0.3
53.03941	0.4
55.05505	3.9
56.05029	0.7
61.02925	0.4
67.05498	1.0
67.11058	0.3
68.05025	1.1
69.03426	0.5
69.05805	0.7
69.07052	1.8
70.06585	8.6
71.07361	2.0
71.79726	0.6
72.08137	0.6
73.03395	0.3
78.63844	0.3
79.05493	0.8
81.03413	0.8
81.07057	1.0
81.51431	0.3
84.08118	0.6
85.02903	0.8
86.09694	100.0
87.10035	1.3
91.05463	0.8
93.07030	0.5
95.04939	0.5
95.08575	0.5
96.70734	0.3
97.02899	0.9
97.06555	0.4
97.07684	0.3
103.33360	0.3
105.07020	0.9
107.08578	0.7
109.02856	0.5
109.06534	1.1
109.10135	0.4
110.07108	0.3
114.09125	0.7
114.10307	0.5
115.05477	0.3
119.08581	0.6
120.08083	0.7
121.10144	0.9
122.06013	0.4
124.03945	2.2
127.03886	0.4
130.08574	0.7
131.07275	0.5
131.08588	0.4
133.10150	1.0
134.05992	11.5
135.06789	3.3
135.07788	0.5
135.11690	0.4
136.06201	0.5
138.12758	0.3
144.05737	0.3
145.10056	0.3
147.04424	0.3
147.11726	0.5
149.13271	0.3
154.79277	0.3
156.30167	0.3
158.09610	0.4
159.08069	0.3
159.11768	0.5
161.09605	0.5
163.03857	0.5
173.13181	0.5
174.09091	4.9
183.71301	0.3
186.09119	4.1
186.10664	0.5
187.14850	0.3
191.14337	0.5
203.11775	6.4
203.13577	0.5
209.15367	0.7
231.11324	0.9
247.14348	0.3
259.10730	0.5
277.10757	0.3
281.13693	0.3
301.69675	0.3
316.20145	7.2
317.20642	0.5
344.19644	27.5
345.19916	2.0
351.22037	0.3
367.42545	0.3
392.23834	0.3
457.28152	11.5
458.28159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
57.07067	13.6
58.06592	1.3
67.05496	2.4
68.04999	0.3
69.07056	2.5
70.06580	13.1
71.08624	8.1
72.16048	0.3
73.02881	1.2
79.05470	0.5
81.07040	2.4
83.08615	2.2
85.10172	2.6
87.04459	1.5
88.07615	17.6
93.07014	0.6
95.08594	3.6
97.10172	1.4
98.20664	0.6
102.09164	12.0
105.06995	0.5
106.08624	0.8
107.08553	0.9
109.10142	1.8
109.77345	0.2
112.99958	0.3
119.08563	0.6
121.10116	0.4
123.11668	0.4
125.09555	0.2
125.52509	0.3
131.08549	0.3
131.42712	0.2
133.10071	0.4
135.11661	0.8
137.13237	0.3
145.10100	0.5
147.11650	0.4
149.13226	0.3
156.17456	0.6
174.18561	0.3
189.16318	0.4
200.20067	46.7
201.16426	0.4
201.20409	0.9
218.21117	3.9
227.20012	0.8
228.23247	0.3
255.23225	0.3
256.26288	0.4
257.99442	0.3
264.12219	0.3
278.70599	0.3
283.26276	47.2
284.26627	1.6
317.72708	0.3
413.84305	0.3
444.58926	0.3
456.44055	100.0
457.44324	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93114	0.3
55.01845	0.5
55.05490	1.0
56.96546	0.3
57.03424	0.6
61.02898	0.4
67.05493	0.3
67.23843	0.3
68.05016	1.3
69.03426	2.0
69.92643	1.9
70.06591	2.7
71.04957	0.5
73.02882	0.5
79.05478	1.4
80.04984	0.3
81.03403	1.2
81.05786	2.0
83.04980	0.9
84.08131	1.5
85.02899	4.7
87.04451	0.3
88.03973	1.4
94.06562	1.9
95.04952	0.6
96.08117	15.9
97.02871	1.4
98.36184	0.3
99.04456	0.6
106.39166	0.3
107.04942	25.4
108.05258	0.4
109.02863	1.0
114.09155	57.5
115.09449	0.7
118.40849	0.3
127.03918	1.2
132.10172	0.4
138.05453	0.4
142.07468	0.6
142.08620	11.3
145.04877	0.6
160.09674	49.5
161.10022	0.5
163.03867	0.6
167.07043	0.4
248.12796	8.1
294.13315	100.0
295.13611	2.8
402.76736	0.3
410.17902	1.0
456.18552	14.2
457.18976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01844	0.5
55.05496	1.2
57.03421	0.9
58.17604	0.4
66.14581	0.4
69.03422	2.6
69.05810	0.5
70.06586	4.9
70.85220	0.4
71.04991	1.0
71.79012	0.8
72.05373	0.4
72.08162	1.0
73.02899	0.6
79.05453	0.9
80.04995	0.7
81.03413	5.3
81.05762	0.6
82.06567	1.2
83.04983	0.6
83.07344	1.5
84.04496	0.8
84.08138	4.4
85.02899	3.9
86.06055	0.7
86.09689	1.1
87.23953	0.5
89.03899	4.9
91.05494	0.8
94.06560	0.9
95.04937	0.5
96.08124	20.0
97.02879	1.7
97.06532	0.6
98.06030	0.6
98.09687	5.0
99.04436	0.9
107.04948	3.5
109.02876	2.7
110.07122	0.7
112.07623	0.7
114.09161	22.6
116.07068	0.5
117.03374	6.9
119.04929	0.7
119.07300	0.8
120.08098	1.6
121.02856	0.7
124.07597	0.6
126.05523	0.5
127.03908	1.7
130.08644	1.0
131.04926	0.6
132.10191	62.5
133.10524	0.7
135.04404	17.5
136.03960	0.6
136.06181	0.4
137.06003	0.6
142.08632	1.0
145.02838	12.7
147.04419	1.9
160.09688	5.6
163.03888	100.0
164.04248	2.0
165.05377	0.5
174.11200	1.0
178.04904	0.7
181.04927	1.3
252.97916	1.0
266.05804	0.4
276.97961	0.9
294.13040	8.3
294.16162	0.8
307.08163	2.7
315.13300	0.5
318.09805	0.5
325.09161	1.8
326.10025	0.6
406.76712	0.5
438.17542	1.4
456.18604	76.5
457.18839	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	455.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	16.7
57.07056	3.7
63.60131	2.5
64.36108	2.7
67.05492	18.3
69.07061	18.6
73.82870	2.1
79.05476	13.1
81.07040	30.1
83.08599	11.5
84.77439	2.5
91.05495	15.9
93.07036	32.2
95.04960	2.9
95.08592	52.1
97.10146	4.8
105.07016	48.5
107.08577	56.6
109.06499	3.2
109.10138	37.3
115.49422	2.6
117.07016	6.3
119.08556	67.2
121.10126	47.2
123.11692	16.3
131.08540	18.5
133.10118	63.3
135.11693	25.0
137.13248	4.2
143.08490	4.0
145.10106	28.7
147.11664	43.2
149.09590	2.8
149.13263	15.3
157.10101	11.5
159.11681	25.9
161.13229	25.6
163.14786	22.4
167.10805	2.8
169.10156	4.3
171.11667	9.5
173.13200	18.5
175.14813	35.7
177.16403	20.4
179.14384	4.2
185.13203	9.2
187.14789	32.4
189.16377	49.6
189.55676	2.8
191.17929	24.8
193.15837	5.7
195.11533	3.2
197.13278	3.2
198.35728	2.5
199.14799	8.3
201.16357	49.5
203.17929	100.0
205.12297	3.6
205.15889	4.8
207.17424	6.1
211.14734	4.4
213.16306	4.2
215.17896	16.7
217.19518	6.7
219.17445	3.3
221.15372	5.3
227.18034	6.0
229.19412	7.5
229.68831	2.7
233.15378	6.2
233.19055	3.5
235.16789	4.1
237.16560	2.9
239.17949	4.1
241.19586	3.8
247.17020	3.3
249.16290	2.8
255.21031	5.5
261.18396	3.5
267.20959	2.6
281.22598	3.4
287.20120	3.2
367.26181	3.0
391.29849	10.0
391.34042	5.3
409.30820	9.4
409.34906	8.1
419.29257	5.4
437.34644	47.9
455.30829	8.8
455.35226	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	455.3514
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.48391	3.0
51.39282	3.7
55.05505	17.1
57.07058	8.0
65.93000	4.1
67.05493	25.4
69.07055	21.6
71.01260	8.8
79.05474	13.4
81.07043	50.1
83.08628	13.4
85.06519	3.9
91.05471	24.6
93.07038	43.1
95.04963	4.8
95.08593	83.2
95.99639	2.9
97.10155	7.9
105.07014	49.3
107.08569	87.6
107.15710	3.2
109.06519	5.5
109.10136	50.2
111.08072	4.9
113.16084	2.8
116.45615	3.2
117.06976	7.8
119.08558	100.0
121.10132	59.5
123.08052	7.5
123.11691	22.7
129.06989	3.0
131.08527	22.1
133.10104	67.4
135.08083	3.6
135.11671	48.4
137.13226	7.5
139.07542	5.6
143.08513	8.5
144.09293	4.3
145.10101	50.0
147.11678	51.7
149.13228	29.3
151.07585	5.1
151.11124	4.5
151.84370	3.4
153.09131	5.3
157.10139	15.4
159.11674	46.1
161.13234	43.1
163.07521	8.9
163.14789	32.4
165.09090	4.6
165.12756	4.6
171.11716	10.4
173.09645	2.7
173.13251	29.5
175.14798	30.8
177.09077	6.1
177.16360	19.9
179.14276	9.2
185.13258	13.2
187.14783	44.5
189.16348	58.4
191.14354	6.0
191.17946	42.8
193.12184	3.5
197.13254	5.1
199.14813	13.5
201.16376	54.8
203.17944	62.6
205.15788	4.9
205.19478	4.2
207.17413	14.6
211.14790	5.2
213.16315	8.9
215.17879	16.7
217.19580	10.5
219.13994	3.4
219.17502	5.6
221.15268	4.6
221.18953	6.6
225.16217	3.7
227.17909	4.9
229.15932	6.2
229.19421	18.7
233.15395	10.8
235.16945	8.7
243.21007	7.1
247.16959	31.4
249.18517	6.8
251.16292	3.6
255.21111	3.7
261.18445	5.4
263.31940	4.1
269.22644	5.8
273.18188	3.9
275.20084	8.9
289.21701	4.1
315.23059	5.6
391.33777	18.3
409.34753	44.9
437.34186	62.4
455.35263	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3514
Annotation	3-Oxoolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
50.31243	1.1
53.03931	1.8
53.67666	1.1
55.01831	1.4
55.05505	12.5
57.07066	7.8
59.69693	1.1
65.03920	1.7
67.05498	15.6
69.03396	1.1
69.07062	14.3
69.51167	13.6
71.04977	2.9
71.08617	3.1
79.05486	12.3
80.26976	1.1
81.07050	40.2
83.02930	1.2
83.08614	14.1
85.06519	1.6
89.59881	1.1
91.05464	8.3
93.07031	30.7
95.04970	2.8
95.08597	41.3
95.09193	2.5
95.34429	1.2
97.06547	1.7
97.10162	7.1
105.07022	23.7
107.08583	46.1
107.54029	1.2
109.10148	25.4
111.08086	2.4
113.09647	1.5
117.07022	3.4
119.08572	26.4
121.09247	2.0
121.10134	41.3
123.11699	22.7
125.09612	4.7
125.50156	1.1
127.11201	7.0
129.07036	2.8
131.08565	12.5
133.10124	20.9
135.11676	27.0
137.09639	1.1
137.13217	6.5
139.11110	2.4
143.08548	4.6
145.10129	15.5
147.11658	18.0
149.13245	37.0
151.14836	3.0
153.09129	1.8
153.12727	33.1
157.10118	5.4
159.11667	12.6
161.13240	16.0
163.14813	14.1
165.09116	1.5
171.11664	5.0
173.13226	12.7
175.14803	19.3
177.09094	1.4
177.16379	13.5
179.14359	1.3
185.13280	5.1
187.14819	22.0
189.16367	17.4
191.10620	1.6
191.17853	2.8
193.15863	2.6
195.17418	1.5
199.14861	5.4
201.16371	21.1
203.17952	13.8
205.12312	1.9
205.15761	1.9
207.17474	2.2
213.16360	8.4
215.17946	8.7
217.19493	2.1
219.13802	2.9
221.18993	1.7
227.17964	3.4
229.19508	4.1
231.21080	1.3
233.15437	5.6
235.16969	1.7
239.18036	1.7
239.23720	2.0
241.19473	2.3
242.62228	1.2
247.16998	3.3
249.18559	1.3
255.20987	3.5
259.16916	2.8
261.18500	1.9
267.21359	1.6
269.17191	1.3
269.22687	1.6
281.22748	2.7
283.24249	1.4
287.20190	1.9
295.24332	1.5
327.23166	1.2
337.28864	14.8
341.24863	2.5
355.26349	2.4
381.27710	1.4
383.29465	8.4
391.33743	1.5
409.34836	12.7
437.34387	8.7
455.35269	100.0
456.35779	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	455.3514
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03919	0.9
55.05259	0.7
55.05498	7.3
55.21867	0.5
55.26746	0.5
57.07068	3.0
59.04957	0.6
60.58199	0.5
61.23501	0.5
62.62597	0.6
65.03923	0.6
67.05181	0.6
67.05492	7.7
69.07054	12.1
71.08609	1.1
71.49509	1.2
79.05484	7.9
81.07043	19.8
83.04939	1.1
83.08601	7.4
91.05460	7.6
93.07028	19.4
95.04932	1.6
95.08593	45.1
97.06499	1.0
97.10171	3.6
99.08065	0.8
105.07016	22.1
107.04926	0.5
107.08575	46.4
109.06493	0.8
109.10143	27.4
110.10441	0.5
111.08075	0.9
111.11649	0.7
117.07024	2.4
119.08566	33.1
121.06459	0.6
121.10128	40.6
122.10395	0.6
123.08025	1.7
123.11684	10.0
125.05976	0.7
125.09578	0.9
129.06960	1.1
131.08549	4.9
133.03061	0.5
133.06531	0.7
133.10109	37.1
133.68109	0.6
135.08009	1.5
135.11678	16.2
137.09631	1.2
137.13206	2.4
139.07478	0.7
139.29883	0.5
143.08501	1.3
144.09288	0.6
145.10104	11.9
147.11665	25.2
149.09569	0.9
149.13243	19.9
151.11058	1.2
151.14735	0.6
153.09076	4.2
155.08586	0.5
157.10130	2.4
159.11661	8.8
160.12352	0.6
161.13232	14.5
163.11151	1.0
163.13487	1.0
163.14803	16.9
165.09053	1.2
165.12804	0.7
165.16364	1.3
167.10667	1.9
171.11656	1.8
173.13234	5.8
174.13954	0.9
175.11345	0.6
175.14796	22.6
176.15164	0.6
177.12831	1.0
177.16359	35.3
181.12233	0.5
185.13219	1.8
187.14793	14.7
189.16356	37.3
191.14236	5.5
191.17934	9.2
193.12239	0.8
193.15829	1.0
199.14810	1.8
201.16342	8.0
203.17928	96.5
204.18230	1.5
205.15855	70.9
205.19484	6.0
206.16156	0.5
207.17462	2.7
211.14726	0.6
213.16318	1.7
215.17946	4.2
217.15808	1.6
217.19514	2.1
219.17424	3.9
221.18967	3.6
225.16296	0.6
227.17804	0.8
229.19458	0.7
231.17494	3.6
231.21021	1.2
233.19020	1.2
235.16910	4.1
241.19522	1.1
243.21062	0.8
245.18890	1.0
249.18480	19.8
255.21028	0.8
263.19928	0.6
269.22745	0.7
285.25610	0.6
295.24133	1.4
313.25235	1.9
339.26749	0.7
348.36505	0.6
377.32089	0.9
381.35245	1.9
391.33398	2.1
395.33066	11.4
409.34607	100.0
410.35007	4.5
411.36102	0.9
419.33133	0.6
425.34021	1.7
437.29602	0.5
437.34335	6.2
455.35190	44.0
456.35257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06840	1.8
55.05498	7.3
57.07058	1.7
64.09363	1.7
67.05483	11.5
69.07059	14.9
69.96978	1.7
70.99578	2.8
70.99911	2.9
79.05470	9.6
81.07046	20.8
82.78052	1.6
83.08598	9.6
91.05473	11.8
93.07037	24.3
95.04953	2.1
95.08596	41.4
97.10160	3.6
105.07019	34.3
107.07894	3.2
107.08578	36.1
109.10146	28.0
117.06979	3.1
119.08569	51.6
121.10136	34.1
123.11684	11.8
129.06982	2.1
131.08553	14.7
133.10110	54.3
135.11685	22.8
137.13179	2.5
143.08560	3.0
145.10104	16.9
147.11673	40.0
149.13255	14.5
157.10103	5.2
159.11687	16.2
161.13210	23.6
163.14830	19.1
171.11693	5.7
173.13159	8.0
175.14833	20.5
177.16362	18.3
185.13222	3.2
187.14799	16.7
189.16365	30.2
191.17932	26.2
193.15791	3.1
199.14838	3.5
201.16367	36.3
203.17937	100.0
204.18285	2.9
205.15906	4.6
205.19473	2.5
207.17439	5.5
213.16360	2.4
215.14478	1.6
215.17928	11.9
217.19478	7.4
219.17451	2.1
225.16373	2.4
229.19493	3.7
233.15471	4.0
241.19550	3.2
247.17023	2.7
281.22610	7.0
283.24164	2.2
327.23074	5.5
338.79526	2.2
391.33548	6.3
409.34601	7.7
437.34140	46.6
438.34283	2.4
455.35031	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	455.3514
Annotation	3-Oxoolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
53.03909	1.0
55.05499	7.8
55.46427	0.6
57.03411	0.9
57.07067	3.1
65.03905	0.9
67.05491	11.6
69.06689	0.7
69.07053	12.8
69.92953	0.6
70.92110	1.4
71.08590	0.8
79.05090	0.6
79.05479	8.1
81.07043	22.5
83.04955	0.8
83.08604	8.5
85.06478	0.9
91.05455	8.2
93.07026	19.4
95.04900	2.0
95.08591	48.1
96.08909	0.8
97.06464	0.8
97.10140	3.2
99.08070	0.8
105.07005	22.0
107.08575	47.1
109.06463	1.2
109.10142	25.5
110.10442	0.6
110.67300	0.6
111.08033	1.3
111.11700	0.7
117.06989	3.0
119.08560	35.2
121.06490	0.7
121.10123	41.0
123.08035	1.6
123.11691	10.0
124.17490	0.6
125.09566	0.8
129.06961	1.4
131.08543	5.7
133.10107	35.3
135.08049	0.8
135.11671	18.6
137.09569	1.2
137.13210	2.6
139.07443	0.7
139.11197	0.7
143.08530	1.7
144.09288	0.7
145.08951	0.9
145.10101	14.5
147.11665	25.8
149.09560	1.6
149.13234	18.2
151.11194	1.1
151.14795	0.8
153.09082	4.5
157.10114	2.6
159.10497	0.9
159.11681	9.0
161.09470	0.9
161.13245	16.8
163.11137	1.0
163.14795	14.1
165.09076	1.4
165.12737	0.7
165.16418	0.7
167.10655	2.3
171.11658	3.2
173.13240	6.1
174.13936	0.8
175.11256	0.8
175.14793	22.6
177.12732	1.7
177.16353	32.4
179.10670	1.0
183.11725	0.8
185.13205	2.6
187.14790	15.9
188.15323	1.1
189.12708	1.1
189.16356	35.7
190.16684	0.7
191.14217	1.2
191.17908	9.6
193.12325	0.7
193.15921	1.0
197.13287	0.8
199.14801	1.9
201.16339	9.5
203.17921	88.6
204.18259	1.7
205.15848	75.9
205.19521	4.3
206.16173	1.3
207.17354	3.1
213.16302	1.9
215.14333	0.8
215.17857	4.6
217.15895	2.2
217.19533	1.5
219.17401	3.6
219.21056	0.6
221.15247	0.7
221.19008	2.0
227.17912	1.2
229.19446	2.4
231.17372	4.4
231.21062	1.9
233.15314	0.8
233.19026	1.3
235.16913	3.1
241.19580	0.7
245.18913	1.1
249.18477	20.6
255.21059	0.9
257.22583	1.1
259.20508	0.8
260.98358	0.6
269.10611	1.0
271.24072	0.7
295.24164	1.6
313.25278	2.3
316.11829	1.1
381.35129	2.2
391.33539	2.8
409.34604	100.0
410.35007	4.2
425.34161	1.5
427.35709	1.6
431.59879	0.7
437.34256	6.5
455.35229	48.6
456.35657	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	455.3513
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
51.81549	2.2
55.05507	13.9
57.07063	7.4
67.05493	20.4
69.07060	21.8
69.70718	2.4
71.04865	5.0
79.05485	15.6
80.91335	2.4
81.07041	62.2
83.08594	13.9
91.05455	16.0
93.07028	34.6
95.08593	100.0
97.10139	4.4
99.08083	9.6
105.07010	42.2
107.08573	72.3
109.06537	2.4
109.10143	55.6
111.08077	4.3
117.07007	4.9
119.08569	61.6
121.10129	61.2
121.10970	4.0
123.08076	3.3
123.11682	36.3
131.08545	31.5
133.10114	68.9
133.11116	5.0
135.11676	45.5
135.12639	3.8
137.13211	26.5
137.14166	3.0
143.08546	6.4
145.10098	38.7
147.11665	51.6
149.13245	33.4
151.14801	3.1
157.10077	11.7
159.11659	37.1
161.13268	21.3
163.11156	3.0
163.14798	18.4
165.12759	3.2
171.11664	11.8
172.12366	2.9
173.13205	26.9
175.14821	20.9
177.16350	29.7
178.40923	2.4
185.13286	10.2
187.14798	27.9
189.16373	36.5
191.10568	4.3
191.14342	3.1
191.17920	75.5
197.13240	4.0
199.14821	8.3
201.16347	66.4
203.14345	2.7
203.17912	61.8
205.15776	18.1
205.19502	4.5
207.17444	2.7
213.16341	11.8
215.17912	15.5
217.12238	3.5
217.19501	10.7
219.17293	11.3
227.17909	5.3
229.19437	3.0
231.17430	3.0
233.15286	2.7
233.19077	2.4
239.17757	3.3
241.19583	6.3
243.21069	4.7
245.15337	2.9
247.16978	4.4
249.18524	6.2
253.19376	2.8
255.21051	3.4
259.17017	7.1
269.22495	3.2
287.20193	2.5
350.44644	2.5
363.78568	2.5
379.33426	3.7
383.29456	3.9
391.33649	9.5
397.30859	3.2
409.34616	57.1
425.33905	9.9
437.34094	28.2
455.35370	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	455.3514
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05503	15.6
57.07056	5.9
60.85451	2.2
67.05489	22.7
69.07051	27.4
71.19370	5.5
79.05480	20.3
81.07041	76.6
83.08600	11.3
85.06532	2.2
91.05481	11.5
93.07027	49.8
94.07384	3.0
95.04939	4.4
95.08593	100.0
97.06511	2.7
97.10179	4.5
105.07014	32.6
106.07288	2.7
107.08575	66.6
109.10136	50.4
111.08064	3.8
111.11705	4.1
117.07021	5.7
119.08565	43.4
121.10124	58.8
123.11692	23.1
125.09627	4.8
129.06973	3.0
131.08545	15.7
133.10117	40.7
134.10472	2.5
135.11678	41.0
137.13231	20.3
139.11153	15.8
143.08553	7.9
145.10092	27.5
147.11662	29.1
149.13231	47.6
151.11209	2.5
157.10110	10.4
159.11659	23.9
161.13235	19.0
163.14790	17.7
165.12724	3.9
169.10156	3.2
171.11641	13.5
173.09570	4.0
173.13246	17.2
175.14799	20.6
177.09154	3.3
177.16342	48.5
183.11633	5.2
185.13239	11.4
187.14766	21.6
189.16364	30.5
190.16635	2.4
191.10689	2.5
191.17973	9.8
195.17383	33.6
197.13179	4.2
199.14809	12.8
201.16350	29.0
203.17957	24.4
205.15907	2.4
207.17435	6.1
211.14830	4.7
213.16348	21.2
215.17935	20.5
217.19571	4.0
219.13893	3.0
219.17329	2.8
221.19008	4.7
225.16553	2.6
227.17905	3.9
229.15877	3.0
229.19507	6.7
231.20982	2.6
233.15511	4.5
235.16940	3.3
239.17909	4.7
240.18480	2.7
241.19383	10.5
243.21097	5.4
247.16870	9.8
249.18298	2.4
253.19565	4.8
255.20979	10.9
257.22757	2.6
259.16910	15.6
261.18448	2.6
267.21075	4.1
269.22589	7.0
273.18509	2.9
287.19919	6.7
289.21616	2.6
299.19962	3.0
301.21793	3.0
313.21472	6.6
391.33575	17.3
409.34705	46.0
419.32745	3.3
425.34143	6.0
437.34113	48.1
438.34277	3.3
455.35709	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	455.3515
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
51.84789	0.7
53.03933	1.4
55.05296	0.7
55.05508	6.5
57.03428	1.5
57.07059	4.3
59.04994	0.9
63.45786	0.7
67.00161	0.7
67.05497	20.5
69.03407	0.8
69.07062	22.7
70.71139	2.9
71.04995	1.9
71.08621	0.7
78.09821	0.7
79.05488	13.9
81.07047	48.2
83.04963	1.7
83.08616	7.6
85.06557	0.8
91.05461	14.3
93.07034	31.3
95.04969	2.3
95.08594	46.6
97.06567	3.8
97.10152	3.7
103.05437	0.9
105.07023	24.0
107.04958	0.7
107.08584	46.2
107.72603	0.7
109.06497	2.6
109.10140	43.5
111.08077	1.9
111.11691	1.0
117.07011	4.8
119.08569	28.0
121.06497	2.0
121.10128	38.6
123.08096	1.6
123.11690	68.8
124.12111	0.9
125.05980	1.3
125.09624	1.7
126.31054	0.7
129.06981	1.9
131.08560	11.2
133.10109	28.2
135.08031	2.7
135.11681	34.8
137.09596	1.1
137.13242	8.5
139.07555	2.4
139.11169	1.8
141.06949	0.9
142.07776	1.0
143.08528	5.3
145.10107	16.7
147.08057	1.5
147.11664	18.4
149.09605	2.8
149.13251	11.7
151.07524	1.0
151.11198	2.2
151.14764	1.2
153.09029	1.8
153.12766	1.0
155.08540	1.4
157.10106	6.3
159.08055	2.2
159.11681	16.3
161.09541	1.7
161.13228	15.2
163.07512	1.8
163.14786	12.3
165.09097	2.3
166.11064	0.8
167.14288	0.9
169.10150	1.7
171.11685	5.7
173.09685	1.1
173.13246	13.5
173.14604	1.4
175.11235	1.6
175.14801	10.4
177.09128	3.3
177.12755	1.5
177.16364	3.9
179.10712	1.8
179.14323	2.7
183.11729	2.5
185.13240	6.7
186.14038	0.8
187.11220	1.3
187.14799	13.8
189.12689	1.0
189.16367	11.4
191.10699	5.2
191.14302	1.0
191.17921	10.7
193.12262	0.9
197.13293	2.1
199.14790	4.9
201.12743	1.3
201.16371	10.0
203.14247	1.7
203.17929	14.1
205.12209	2.1
205.15866	1.0
207.13904	1.0
207.17451	1.5
211.14853	1.7
213.16270	4.3
215.14455	1.8
215.17874	6.1
217.12241	1.3
217.15926	1.9
217.19490	4.1
219.13734	3.5
221.15318	1.9
225.16293	1.4
227.17981	2.8
229.15831	2.3
229.19504	2.7
231.13785	1.4
231.17523	1.2
233.15355	3.4
235.16972	1.7
239.17802	1.4
241.19519	2.1
243.21028	1.9
245.15300	1.1
247.16920	14.2
247.19504	1.1
247.20544	1.0
253.19452	1.9
255.21025	4.5
259.16946	2.4
261.18588	1.1
265.19547	1.0
267.21118	1.8
269.22452	1.1
271.20532	1.0
275.20251	1.4
285.22162	1.3
297.22134	1.0
299.20132	1.6
301.21783	2.1
313.21680	2.6
315.23083	7.5
329.24442	0.9
369.27869	2.8
387.28967	3.5
391.33673	1.7
395.33243	2.2
399.29034	1.8
409.34573	8.3
419.33054	4.5
437.34122	26.4
437.40308	1.3
438.33987	1.0
455.35168	100.0
456.35229	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	455.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91552	1.0
55.05505	8.0
57.07065	7.9
65.03908	1.3
66.65825	1.1
67.05493	21.4
69.07060	15.2
69.74678	6.5
69.75100	2.8
71.08606	1.9
72.71609	1.2
79.05473	12.4
81.07043	73.6
83.08611	9.0
91.05471	7.6
93.07034	14.5
95.08591	100.0
97.10130	6.8
98.20734	2.6
103.05481	1.3
105.07005	13.3
107.08578	18.4
109.10138	44.6
117.06997	4.6
117.91016	1.1
119.08574	18.1
121.10120	13.7
123.11694	36.6
128.06198	1.8
129.06975	4.4
131.08537	8.4
133.10091	14.1
135.11682	14.6
137.13234	56.6
140.65121	1.2
142.07701	1.6
143.08514	6.8
145.10100	15.8
147.08005	1.4
147.11664	11.3
149.13237	9.1
151.14769	4.6
155.08499	2.9
157.10141	6.3
159.11673	10.9
161.13225	7.6
163.14732	5.6
169.10045	6.1
171.11682	10.1
173.13205	9.3
175.14787	5.5
177.09004	1.2
177.16359	2.8
179.17876	9.8
183.11682	4.5
185.13228	8.2
187.14830	8.5
189.12700	1.7
189.16389	7.5
191.10623	1.5
191.14352	2.1
191.17937	17.8
197.13255	5.6
199.14838	6.8
201.12704	1.3
201.16350	9.5
203.14255	1.3
203.17955	8.6
205.15834	1.6
205.19508	6.5
211.14801	8.9
213.16348	9.7
215.14456	1.4
215.17868	2.1
217.12189	1.8
217.15892	2.6
217.19406	6.2
219.13698	1.4
219.17339	6.6
225.16222	2.0
227.17894	1.8
229.15881	3.9
229.19234	1.7
231.17366	2.9
233.15260	1.8
239.17947	3.9
241.19612	6.2
243.13777	3.0
245.15422	2.3
247.16931	3.7
253.19461	3.1
255.20976	1.5
257.15338	4.0
257.18970	2.0
257.22757	1.5
259.16962	2.0
259.20474	3.7
267.21039	3.8
271.20612	1.7
275.16391	6.0
283.45554	1.2
285.18646	2.2
285.21652	1.4
287.19968	1.9
299.20071	1.4
351.30563	1.4
391.33627	9.2
397.30737	1.6
409.34586	24.1
425.33762	1.7
437.34097	11.1
455.29770	1.5
455.35300	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	455.351
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
53.03933	3.5
55.05494	10.0
57.07058	4.4
66.92084	1.5
67.05496	25.2
69.07057	23.2
69.67796	11.3
69.68201	3.5
73.08096	1.8
73.85233	1.6
77.03960	1.5
79.05483	12.9
81.07043	59.0
81.07532	2.8
83.04961	1.9
83.08600	7.4
83.30099	1.3
85.06539	2.1
91.05441	14.9
93.07024	35.9
93.23676	1.4
95.04951	3.8
95.08592	48.2
97.06486	3.6
97.10152	3.1
98.21404	2.0
105.07013	27.0
107.04953	1.4
107.08577	43.4
109.06508	3.3
109.10138	54.0
111.04423	2.1
111.08070	2.9
111.11704	1.5
117.07022	5.3
119.08561	34.1
121.06468	3.3
121.10128	40.1
123.08059	3.4
123.11685	69.3
125.06011	1.7
129.07013	2.1
131.08540	10.5
133.10117	30.0
135.11671	31.8
137.13229	11.4
139.07509	2.3
141.65915	1.5
142.07770	1.6
143.08546	5.1
145.10103	18.6
147.11644	18.5
149.13249	13.3
151.11147	3.0
153.61887	1.5
155.08510	1.8
157.10072	7.4
158.10818	2.0
159.11636	20.3
161.09583	2.5
161.13234	16.6
163.07532	2.4
163.14801	10.0
169.10101	2.0
171.11636	7.5
173.13184	9.8
175.14795	7.4
177.09056	3.4
177.16360	3.9
179.10611	1.7
179.14247	2.2
183.11670	2.6
185.13286	5.6
187.11172	2.1
187.14777	14.1
189.16331	11.3
191.10669	5.7
191.17963	10.6
197.13202	2.4
199.14851	4.9
201.16357	10.3
203.14331	1.7
203.17935	14.7
205.12189	2.1
205.15889	1.9
213.16400	4.1
215.14523	1.8
215.17906	4.1
217.19489	4.1
219.13843	3.6
221.15369	3.0
225.16475	2.0
227.17905	4.1
229.19550	3.0
231.13727	2.3
233.15320	2.7
235.17068	1.9
241.19562	2.6
243.17485	1.5
243.21187	2.6
245.15172	2.4
247.16879	15.3
253.19452	2.0
255.21033	3.2
259.16934	1.5
269.22531	1.9
281.22791	1.4
285.21918	1.5
297.22101	2.1
299.20346	2.1
313.21585	2.8
315.23221	6.3
369.27805	6.4
387.28778	4.7
395.32993	1.7
409.34576	10.5
419.33218	5.0
437.34097	25.3
455.35129	100.0
456.35367	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	455.3513
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
55.05503	11.6
57.03426	1.8
57.07071	6.1
61.08053	1.8
65.03907	1.6
67.05489	30.8
69.07059	33.9
69.07425	2.6
71.58321	2.7
79.05483	18.1
81.07044	69.5
83.08610	8.9
85.06541	2.7
88.08271	1.5
91.05461	18.3
93.07032	40.6
95.04977	3.6
95.08593	63.3
97.06532	4.9
97.10164	8.1
105.07008	29.6
107.08577	61.4
109.06516	3.1
109.10139	65.0
109.10861	3.5
109.47729	1.5
111.08083	3.6
111.11746	1.9
111.36748	1.5
117.07025	5.9
119.08566	45.8
119.09386	3.5
121.06499	3.7
121.10126	52.6
123.08107	3.9
123.11691	83.5
125.05952	2.2
131.08560	15.2
133.10112	36.4
135.08090	4.1
135.11671	45.5
137.13217	12.8
139.11208	1.9
139.28940	1.9
143.08562	6.1
145.10103	23.6
147.11673	21.9
149.09639	2.0
149.13220	14.3
151.07530	2.7
151.14806	2.5
153.09184	2.7
153.12671	2.1
157.10088	9.8
159.11665	25.3
161.09711	2.4
161.13231	21.6
163.07565	5.7
163.14781	18.0
165.09149	3.0
169.10136	2.9
171.11646	9.4
173.13203	15.9
173.14471	2.1
175.11273	1.9
175.14796	14.3
177.09134	4.6
177.16440	5.3
179.10620	4.2
179.14322	2.5
183.11676	4.2
185.13248	7.4
187.14786	20.6
189.16319	15.3
191.10703	5.0
191.17923	12.9
193.12248	1.7
197.13300	2.9
199.14871	5.5
201.12895	1.8
201.16321	13.3
203.10725	2.2
203.14212	1.8
203.17894	16.2
205.12325	2.3
205.15961	3.0
207.17343	1.6
211.14799	3.9
213.16373	5.3
215.14180	1.7
215.17944	6.1
217.19499	5.0
219.13765	4.3
221.15369	2.9
227.17989	4.8
229.15900	2.3
229.19714	3.5
231.13737	2.1
232.80298	1.6
233.15373	4.1
235.16982	2.3
241.15936	1.6
241.19560	3.8
243.21016	2.0
245.15297	3.4
247.16942	18.1
253.19466	2.6
255.21036	2.9
259.16962	2.8
275.20117	1.9
281.05661	1.9
299.20062	4.3
301.21680	2.2
313.21561	2.3
315.23135	7.1
351.26852	2.3
369.27939	11.5
387.28653	4.8
391.33649	2.9
395.32910	4.2
409.34744	9.1
419.33041	3.9
437.34122	27.8
438.34381	2.5
455.35165	100.0
456.35541	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	455.3509
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
50.96510	1.6
53.03928	2.1
55.05492	9.3
57.03406	2.3
57.07058	6.3
59.04980	2.0
65.03934	1.6
67.05493	22.7
69.07055	25.2
71.24326	2.9
79.05486	16.3
81.07040	53.8
83.08633	7.5
91.05465	15.5
93.07027	34.5
95.04968	2.9
95.07991	3.1
95.08591	53.4
97.06531	3.3
97.10152	3.6
105.07018	27.3
107.08573	46.4
108.64082	1.8
109.06494	3.7
109.10134	49.5
111.04406	1.6
111.08057	2.9
117.06994	4.8
119.08554	36.8
121.06530	1.9
121.10117	41.1
123.08044	3.1
123.11688	73.4
125.09611	1.7
129.38078	1.8
131.08540	14.8
131.68010	1.6
133.10104	30.8
135.08035	3.1
135.11667	36.1
137.13226	11.1
139.07639	2.0
139.11110	1.7
143.08537	5.5
145.10068	18.3
147.11655	18.7
149.09579	1.8
149.13239	15.3
151.11168	3.3
155.08536	1.7
157.10117	6.7
157.28065	1.5
159.08000	1.8
159.11668	18.1
161.09605	2.7
161.13252	15.5
163.07471	2.3
163.11160	2.7
163.14827	9.3
165.09154	2.4
171.11690	6.9
173.13242	10.5
175.14772	9.7
177.09077	3.3
177.16368	6.4
179.10641	2.3
179.14302	2.7
183.11688	4.4
185.13235	6.4
187.14771	15.5
189.16362	11.2
191.10701	7.1
191.14316	2.2
191.17905	10.8
197.13243	3.0
199.14754	7.7
201.16354	11.7
203.17914	13.3
205.12300	1.8
207.13992	1.6
211.14923	2.0
213.16422	4.2
215.14120	1.7
215.17883	4.2
217.19412	3.7
219.13799	3.5
221.15364	2.3
221.19124	2.0
225.16380	2.1
227.17877	2.1
228.56706	1.5
229.19492	4.3
231.13876	2.7
233.15359	2.5
235.16870	2.6
239.17744	2.0
241.19566	4.2
245.15340	4.3
247.16910	14.6
250.86923	1.8
255.21017	3.4
261.18555	1.9
263.69073	1.8
275.19949	1.7
299.20331	1.9
313.21573	2.8
315.22989	7.7
369.27887	4.1
377.31958	1.9
395.33102	2.9
409.34503	9.3
419.33191	5.4
437.28540	2.2
437.34167	26.1
455.35172	100.0
456.36026	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	455.3512
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
51.02366	1.1
53.03930	1.7
55.01854	0.9
55.05494	12.5
57.03422	2.3
57.07056	6.8
65.03905	1.9
67.05492	25.1
69.03396	0.9
69.07056	26.0
70.89044	1.0
71.04990	1.6
71.23678	2.7
79.05478	17.3
81.07041	55.3
83.04947	2.7
83.08603	8.0
85.06539	1.4
91.05458	16.7
93.07028	40.1
95.04942	4.0
95.08589	54.5
97.02946	1.0
97.06513	4.0
97.10140	3.3
105.07008	28.3
107.08574	50.2
109.06505	4.2
109.10139	59.1
111.08071	3.1
111.11712	0.9
117.06989	4.6
119.08562	38.6
121.06486	1.5
121.10126	50.3
123.04491	0.9
123.08038	3.2
123.11683	77.2
124.12045	1.6
129.06969	3.2
131.08551	11.9
133.10106	31.4
135.08055	2.6
135.11674	38.8
137.09563	1.8
137.13217	12.2
139.07513	1.8
139.11169	1.8
142.07738	1.2
143.08528	6.4
144.09264	1.2
145.10110	21.2
147.07980	2.2
147.11664	21.0
149.09631	1.5
149.13234	15.9
151.11211	1.6
151.14790	2.8
153.09111	2.2
153.12741	1.3
155.08527	1.1
156.09343	1.3
157.10098	8.0
159.08064	1.4
159.11662	19.0
161.09621	2.6
161.13237	16.7
163.07549	3.7
163.14780	12.7
165.09050	2.3
165.12825	1.4
169.10080	3.1
171.11629	6.7
173.09663	1.9
173.13237	12.9
175.11150	1.4
175.14798	11.9
177.09084	2.5
177.12697	1.9
177.16327	4.7
179.10645	3.3
179.14340	1.8
183.11670	2.3
184.12340	1.3
185.13171	6.9
187.14786	17.4
189.09106	1.2
189.16362	12.8
191.10626	5.2
191.14279	1.6
191.17908	11.2
193.12129	1.6
193.19502	1.6
195.49820	0.9
197.13200	2.6
199.10857	1.2
199.14801	4.9
201.12665	1.3
201.16360	11.9
203.10593	1.4
203.14294	2.5
203.17923	14.1
205.12222	2.0
205.15762	1.2
207.17342	1.1
211.14806	3.1
213.16322	5.5
215.14360	1.7
215.17950	4.7
217.16031	1.7
217.19472	3.4
219.13745	3.5
219.20981	1.3
221.15317	3.5
221.18874	1.6
227.17989	3.2
229.15823	1.4
229.19600	2.9
231.13760	1.8
233.15396	4.3
235.16895	2.2
239.17928	1.4
241.15968	1.0
241.19601	1.9
243.13614	1.0
243.21005	1.9
245.15327	5.4
247.16890	16.4
255.21075	3.5
257.19138	1.1
257.22540	1.2
261.18506	1.7
267.21033	1.1
269.22736	1.4
275.20248	1.5
285.18564	1.8
287.20029	1.5
297.21884	1.2
299.20074	1.9
301.21631	2.8
303.23093	1.3
313.21664	3.5
315.23114	6.3
323.27567	1.1
369.27872	10.4
377.32285	1.5
381.28076	1.8
387.28839	2.2
391.33548	2.3
395.33188	5.0
409.34497	9.5
419.32974	4.8
437.34061	25.6
438.34460	2.0
455.35132	100.0
456.35446	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	455.3513
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
53.03931	1.6
55.05498	8.0
56.34788	0.7
57.03413	2.0
57.07061	5.3
65.03911	1.8
67.05492	20.3
69.03398	0.9
69.07054	21.2
71.04964	1.7
71.24574	1.9
77.03893	0.8
79.05476	15.0
81.07039	51.1
83.04951	1.5
83.08607	7.7
85.02914	1.4
85.06510	1.2
90.79666	0.7
91.05457	12.9
93.07029	33.7
95.04949	3.4
95.08589	52.6
97.02859	1.0
97.06500	4.0
97.10146	3.6
99.02726	0.9
99.08090	1.1
103.05448	0.9
105.07008	23.5
107.08575	43.3
109.06528	2.9
109.10135	45.4
109.42648	0.8
111.08041	3.8
111.11714	1.0
117.06976	4.8
119.08557	33.1
121.06497	1.7
121.10120	37.5
123.04356	1.1
123.08066	3.2
123.11684	68.2
125.06001	1.1
125.09612	2.0
127.11224	0.9
128.06209	1.0
129.06995	2.0
131.08554	11.5
133.10104	29.4
135.08057	2.2
135.11662	35.2
137.09631	1.8
137.13232	8.0
139.07478	0.8
139.11165	1.2
142.07729	1.4
143.08574	4.6
145.10094	17.6
147.08017	1.8
147.11653	19.7
149.09607	1.8
149.13243	14.4
151.07532	1.6
151.11160	2.1
151.14760	1.2
153.09027	1.0
153.12718	1.4
155.08511	1.4
156.09416	0.7
157.10107	5.7
158.10834	1.2
159.08096	1.2
159.11668	18.1
161.09637	2.6
161.13231	16.3
163.07536	2.5
163.11183	1.1
163.14796	11.1
165.09157	2.1
165.12802	1.0
167.10623	1.1
169.10091	2.6
171.11609	7.5
172.12503	1.3
173.09544	1.4
173.13226	10.9
175.11243	1.6
175.14789	9.9
177.09070	3.2
177.12654	1.4
177.16338	5.3
179.10666	2.1
179.14297	2.3
182.83546	0.7
183.11670	1.6
185.13240	6.0
187.14793	13.9
189.09100	1.3
189.12743	1.4
189.16347	12.9
191.10622	4.9
191.17896	10.7
191.19463	1.0
193.15862	1.0
197.13243	3.2
199.14771	5.5
201.12807	1.5
201.16335	12.0
203.14359	1.0
203.17917	13.8
205.12251	2.7
205.15790	1.1
207.13713	1.2
207.17465	1.8
211.14832	1.7
213.16319	4.3
215.14366	1.6
215.17931	5.6
217.12206	1.1
217.15814	1.6
217.19447	2.4
219.13789	3.4
221.15373	2.1
223.14763	0.9
225.16333	1.7
227.17960	2.9
229.12157	1.2
229.15897	2.0
229.19453	2.7
231.13771	2.4
231.17307	1.5
233.15392	4.8
235.16919	2.1
237.16150	0.9
239.17856	1.7
241.19472	3.3
243.17343	1.4
243.21111	0.9
245.15382	2.3
247.16878	16.0
249.18401	1.3
253.19592	1.1
255.21062	2.4
257.22717	1.5
259.17154	1.1
261.18500	1.2
265.19525	0.9
267.21103	1.5
273.18622	1.0
275.20151	1.5
281.22470	1.0
284.21231	0.8
297.22058	1.3
301.21576	1.2
313.21664	3.1
315.23041	7.7
323.27368	1.0
369.27792	6.0
377.32104	1.3
381.27600	1.5
387.28839	2.9
391.33609	1.5
395.33142	2.7
409.34540	8.1
419.33087	4.4
437.34113	25.4
455.35147	100.0
456.35602	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3513
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
52.25546	1.2
53.03932	2.3
55.05504	10.1
57.03427	2.1
57.07057	5.8
57.66734	1.1
58.11681	1.2
67.05495	19.6
67.29344	1.0
69.07059	20.0
69.52349	2.1
69.52750	11.2
79.05481	15.0
81.07041	56.5
83.04977	1.7
83.08602	8.5
85.06514	1.3
91.05460	13.1
93.07029	34.0
95.04955	4.7
95.08591	51.1
97.06525	2.7
97.10124	3.6
98.21457	2.5
105.07011	27.5
107.08577	45.4
109.06498	2.7
109.09399	2.6
109.10141	44.2
111.08068	3.5
111.11754	1.3
117.07007	5.6
119.08566	32.2
121.06486	1.5
121.10125	43.0
123.08039	1.9
123.11685	69.8
125.09629	1.6
129.06947	2.1
131.08530	10.8
133.10106	30.6
135.08037	3.0
135.11674	33.4
137.13219	9.2
139.07576	2.4
139.11121	1.7
143.08553	5.6
145.10089	18.0
147.08063	2.7
147.11656	19.6
149.09747	2.4
149.13242	13.4
151.11143	2.6
151.14746	2.2
155.08537	2.1
157.10110	7.7
159.08023	1.2
159.11647	19.7
161.09601	1.9
161.13249	18.8
163.07529	2.0
163.11095	1.9
163.14792	8.5
165.09042	1.3
167.10779	1.2
169.10129	3.0
171.11710	5.3
173.09581	1.2
173.13243	13.7
175.14803	8.8
177.09058	2.7
177.16383	5.3
179.10715	1.9
179.14273	2.3
183.11656	2.3
185.13245	6.8
187.14789	18.9
189.16380	10.6
191.10707	5.2
191.14256	1.6
191.17946	9.6
193.12146	1.5
197.13287	1.7
199.14830	4.9
201.12726	2.1
201.16360	10.5
203.14268	1.7
203.17972	14.5
205.12239	3.3
205.15877	3.4
207.17493	2.9
213.16411	3.6
215.14418	1.5
215.17943	3.6
217.16064	1.5
217.19490	3.4
219.13855	4.0
219.21039	1.7
221.15292	2.7
227.17914	2.5
229.15944	1.7
229.19521	1.9
231.13718	1.7
233.15382	3.7
235.16847	2.5
239.17953	1.5
241.19701	2.2
243.21106	1.8
245.15376	2.8
247.16893	13.4
255.21083	3.4
259.16827	1.8
269.22589	1.9
279.21277	1.2
295.24289	1.3
297.22153	1.8
313.21683	3.1
315.23233	4.7
323.27142	1.6
369.27823	2.0
387.29031	2.4
391.33377	2.4
409.34702	10.4
419.33109	5.2
437.34116	26.1
438.34940	1.7
455.35165	100.0
456.35419	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	455.3512
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
51.40858	1.8
53.03936	3.7
55.05498	8.5
57.07065	6.3
65.03938	2.6
67.05498	25.6
69.07062	24.8
69.76263	8.8
69.76688	7.9
73.56045	1.8
79.05486	15.3
81.07045	59.8
83.04969	3.7
83.08579	9.5
91.05452	18.1
93.07034	35.2
93.88910	1.9
95.04965	3.2
95.08595	58.2
95.58235	2.1
97.06519	4.2
97.10169	1.8
105.07006	24.8
107.08575	53.6
109.10149	53.8
111.08027	2.9
117.07024	4.9
119.08566	41.7
121.06447	2.1
121.10123	44.4
123.07990	1.8
123.11688	81.8
124.23658	1.9
129.07018	2.5
131.08566	10.6
133.10121	29.1
135.08075	2.4
135.11676	41.0
137.09641	2.3
137.13268	9.3
139.11185	2.1
143.08540	6.1
145.10106	16.6
147.11667	18.8
149.09618	3.4
149.13213	13.8
151.11192	3.5
153.09073	2.2
153.71872	2.1
157.10130	6.2
158.21983	2.4
159.11662	17.8
161.13248	16.4
163.07481	2.3
163.14812	11.4
165.09010	2.9
171.11690	8.0
173.09546	2.4
173.13240	15.7
175.11247	2.9
175.14819	9.2
177.16382	5.0
179.10715	3.4
185.13286	7.5
187.14758	15.1
189.16371	15.2
191.10675	5.4
191.17914	11.4
197.13301	2.4
199.14807	4.9
201.16370	10.5
203.14273	2.4
203.17938	12.0
213.16359	3.7
215.17967	5.0
217.19383	2.9
219.13849	4.1
229.15692	3.1
229.19496	3.2
231.13762	3.2
233.15396	3.1
235.16948	2.7
237.19571	2.2
241.19518	3.5
243.21223	4.0
245.15359	3.8
247.16885	17.1
255.21107	4.1
313.21484	3.4
315.23215	8.4
369.27927	5.8
387.29092	3.5
395.33231	2.7
409.34497	9.6
419.33139	4.0
426.77576	2.1
430.30811	2.1
437.34027	20.5
455.35193	100.0
456.35638	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3512
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
53.03938	2.0
55.05506	7.6
57.07053	4.3
63.65458	1.5
65.03929	1.5
67.05498	19.2
69.07058	19.8
71.04357	4.3
71.04976	1.9
72.65463	1.3
79.05480	16.0
81.07044	53.3
83.04934	1.9
83.08610	9.1
85.06528	1.8
86.63693	1.4
88.58589	1.4
91.05470	13.2
93.07034	33.9
95.04918	2.1
95.08594	51.2
96.08903	1.6
97.06508	2.8
97.10140	3.7
102.38657	1.2
105.07014	24.4
107.08582	46.1
109.06472	2.2
109.10144	44.0
111.08045	2.6
111.11701	1.9
117.07005	3.6
119.08566	38.3
121.06475	2.2
121.10129	40.4
123.08061	3.2
123.11687	73.5
125.06011	1.3
128.15489	1.3
129.06963	2.9
131.08533	9.6
133.10106	29.0
135.08012	2.8
135.11670	36.8
135.69106	1.2
137.09625	1.7
137.13199	9.8
143.08548	6.0
145.10101	16.5
147.11658	16.6
149.09581	3.1
149.13222	13.1
151.11180	1.6
153.09009	1.8
157.10069	6.1
159.11673	18.0
161.09674	1.6
161.13239	16.8
163.11133	1.8
163.14827	9.7
165.09053	1.7
167.10689	1.6
171.11636	6.9
173.13193	12.5
175.11249	1.8
175.14790	8.6
177.09117	3.6
177.16374	5.5
179.14284	2.0
183.11665	3.2
185.13202	6.8
187.14766	16.3
189.16371	11.0
191.10660	6.8
191.17902	11.8
197.13234	2.1
199.14879	4.2
201.16348	11.3
203.14258	2.6
203.17935	13.8
205.12207	1.3
205.15746	1.6
207.13751	1.7
211.14656	3.0
213.16336	4.0
215.14159	1.5
215.17921	4.0
217.15865	2.6
217.19469	4.5
219.13786	2.9
221.15364	3.1
227.14241	1.7
227.17883	2.7
231.13745	2.5
233.15395	4.4
235.17015	2.3
241.19466	2.9
243.21165	2.7
245.15266	1.5
247.16899	14.0
253.19800	1.3
255.21069	3.2
267.21103	1.8
297.22333	1.9
301.21503	1.7
313.21338	2.1
315.23077	6.7
355.26355	1.7
369.27808	3.6
377.32324	2.0
382.78955	1.5
387.28903	2.0
391.33539	2.0
392.64340	1.6
395.33191	1.9
409.34564	8.0
419.33075	4.8
437.34058	24.0
438.34372	1.6
455.35132	100.0
456.35510	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	455.3514
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
53.03947	1.8
55.05503	10.9
55.75368	0.9
57.03419	2.1
57.07060	6.0
59.04988	1.3
65.03911	2.5
65.12968	0.9
67.05492	21.5
69.03410	1.0
69.07061	22.6
70.97366	2.2
70.97737	2.2
71.04968	1.9
79.05478	16.9
81.07046	56.7
83.04987	2.8
83.08605	7.8
85.06506	1.3
87.85294	1.1
91.05469	16.2
93.06425	1.2
93.07034	35.1
95.04964	3.5
95.08595	54.8
97.06516	4.0
97.10170	4.1
105.07021	28.7
106.03797	1.0
107.08582	48.8
109.06490	2.7
109.09391	2.5
109.10146	50.9
111.08070	4.1
111.11668	1.5
117.07022	3.6
119.08576	38.9
121.06511	1.3
121.09252	2.5
121.10129	45.5
123.08063	1.9
123.11697	73.3
125.09613	1.5
129.07013	2.4
130.07735	1.1
131.08546	13.7
133.06613	1.1
133.10109	33.3
135.08047	3.2
135.11673	35.8
137.09624	1.7
137.13228	10.4
139.07498	2.6
139.11192	1.5
142.07787	1.6
143.08554	4.9
144.09294	1.4
145.10098	19.6
147.08171	1.2
147.11671	21.4
149.09601	3.4
149.13242	12.5
151.07533	1.2
151.11143	2.3
153.12718	1.3
155.08578	1.7
157.10118	7.1
159.08057	1.4
159.11688	20.7
161.09613	2.1
161.13254	18.1
163.07559	2.1
163.11237	1.2
163.14815	14.5
165.09151	1.6
165.12852	1.2
169.10170	3.1
171.11682	6.3
172.12538	1.6
173.13228	14.1
175.11244	1.7
175.14813	10.4
177.09068	3.2
177.12753	1.9
177.16391	5.9
179.10663	2.7
179.14270	1.9
183.11667	2.6
185.13214	7.1
187.11234	1.4
187.14793	16.9
189.09129	1.1
189.16331	11.7
191.10703	4.2
191.17915	10.4
195.11549	1.4
197.13298	2.9
199.14842	6.5
201.12761	1.9
201.16388	10.6
203.10628	1.2
203.17926	14.1
205.12224	2.0
207.17381	1.5
211.14738	2.4
213.16457	4.5
215.14371	1.9
215.17921	3.7
217.15935	1.4
217.19545	2.9
219.13818	2.7
221.15341	2.2
223.14822	1.2
225.16292	1.4
227.17902	2.6
229.15837	2.5
229.19397	2.6
233.15350	4.5
235.16885	2.1
239.18016	1.9
241.19589	2.6
243.21114	2.0
245.15358	3.7
245.19035	1.3
247.16933	17.4
251.18050	1.4
253.19388	1.4
255.21066	4.8
267.21313	1.2
269.19000	1.5
269.22656	1.5
295.24118	1.6
297.22116	1.5
301.21838	1.5
303.23108	1.7
313.21664	3.9
315.23090	5.7
369.27863	5.4
377.32455	1.6
381.27853	1.6
384.68015	1.3
387.28867	3.0
391.33615	1.8
395.33163	1.9
409.34616	9.3
419.33066	4.5
437.34055	25.6
438.34744	1.6
455.35178	100.0
456.35471	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	455.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.05504	14.8
55.14474	1.2
57.07051	5.2
65.03935	1.9
67.05492	15.6
69.07062	22.8
71.08620	1.5
77.03894	1.4
79.05476	13.2
81.07045	30.2
83.08607	22.8
91.05461	18.1
93.07024	41.3
95.04955	2.2
95.08594	71.7
97.10138	4.1
101.99647	1.1
104.72821	1.2
104.87732	1.2
105.07018	37.9
107.08578	64.0
109.06498	2.6
109.09386	2.3
109.10137	40.0
109.51621	1.0
111.08024	2.0
111.11755	1.4
115.86193	1.1
117.06997	4.3
119.08566	66.8
121.10125	100.0
122.10504	1.4
123.08049	2.6
123.11687	13.9
125.05876	1.2
125.09638	1.6
129.07019	1.3
131.08566	11.9
133.10104	48.4
135.11673	33.6
137.09654	1.3
137.13237	6.4
143.08511	3.6
145.10109	17.0
147.11662	31.1
149.09578	1.6
149.13245	21.7
151.14830	1.4
153.09068	2.9
153.12747	1.6
155.08508	1.5
157.10110	4.7
159.08159	1.1
159.11681	17.2
161.13249	19.7
163.11153	1.5
163.14809	19.7
165.12718	2.4
167.10605	1.2
169.10080	2.6
171.11615	5.3
173.09624	1.5
173.13229	16.2
175.11298	1.1
175.14799	55.3
177.16357	70.4
178.16757	1.3
179.14214	1.3
183.11665	1.6
185.13255	5.4
187.11198	2.4
187.14793	20.7
189.16359	69.2
190.16808	1.4
191.14243	2.5
191.17914	9.9
193.15858	3.4
197.13228	2.7
199.11073	1.6
199.14722	7.6
201.16342	19.3
203.17923	45.7
205.12180	2.0
205.15791	5.5
205.19464	1.2
207.13675	1.4
207.17422	9.0
211.14809	2.6
211.27168	1.2
213.12897	1.3
213.16351	6.3
215.14285	3.5
215.17935	9.7
217.15840	3.6
217.19350	2.0
219.13797	2.2
219.17419	2.1
221.15385	2.2
221.18929	1.3
225.16376	3.1
227.17952	4.6
229.15948	1.4
229.19490	2.8
229.94016	1.8
231.13829	2.3
231.17351	1.9
233.15349	6.2
235.16887	6.1
239.18050	1.5
241.19492	7.7
243.21104	3.0
247.16902	4.4
249.18498	7.5
253.19452	1.4
255.21019	3.6
257.22580	2.2
259.16937	3.4
261.14716	2.5
261.18555	2.3
263.16312	5.7
267.08148	1.4
267.20901	3.3
269.19131	1.2
269.22433	2.4
275.19824	1.4
277.14221	3.1
279.15692	2.5
281.22379	1.7
283.24118	1.3
287.19977	3.6
301.21548	2.4
307.24246	1.9
309.25458	2.3
315.19464	1.6
327.22986	2.4
339.23401	1.6
347.22076	1.6
353.24500	1.4
355.26224	2.1
363.30341	4.6
365.31870	3.1
373.28961	2.1
381.23962	1.5
383.29410	2.1
391.29245	1.7
391.33951	6.6
409.29929	18.1
409.34695	15.4
411.32492	16.7
419.29141	2.6
437.30042	12.0
437.34296	13.5
455.30585	50.4
456.31488	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	455.3151
Annotation	Wilforic acid
Peak:m/z	Relative Intensity
55.05500	3.6
57.07051	1.6
65.03943	0.6
67.05495	5.3
69.07066	4.1
69.51756	5.3
78.51672	0.5
79.05475	3.5
81.07043	9.1
83.08601	6.5
91.05448	4.7
93.07034	9.0
93.87408	0.6
95.04970	1.1
95.08591	12.3
97.10128	1.2
98.20625	0.9
105.07011	14.8
107.08576	16.5
109.10140	9.5
111.08000	0.7
113.23609	0.5
117.06951	3.1
119.08565	18.5
121.10129	13.4
122.10464	0.6
123.08056	0.7
123.11691	4.8
125.09652	0.6
129.07069	0.9
131.08551	6.7
133.06485	0.5
133.10109	15.6
135.08093	0.6
135.11668	14.5
137.13254	2.7
143.08530	2.6
145.10094	6.5
147.11658	10.9
149.09576	0.6
149.13225	5.9
150.19508	0.5
151.07532	0.7
151.14819	0.9
153.12724	1.0
155.08507	0.9
156.09351	0.6
157.10089	3.4
158.10759	0.7
159.11684	6.4
161.09607	0.7
161.13225	6.2
163.14806	6.6
169.10085	2.2
170.15401	0.5
171.11655	5.4
173.13232	10.1
175.14799	11.1
177.16356	5.8
183.11703	2.1
185.13202	4.4
187.14783	9.7
189.14650	1.1
189.16359	21.3
191.10634	0.6
191.17923	2.3
197.13246	1.5
199.14735	2.1
201.16360	5.4
203.17958	4.3
205.12268	0.7
207.17401	0.8
211.14752	1.3
213.16327	2.6
215.17909	8.9
219.13705	3.4
223.14778	1.1
225.16377	1.9
227.17905	12.4
229.19522	0.9
231.13870	0.6
233.15392	1.2
239.17950	3.7
241.19443	3.5
245.15288	0.6
247.16936	1.0
251.17967	0.8
253.19560	0.9
255.21071	0.8
257.93008	0.6
259.16928	1.2
265.19492	1.1
267.21072	1.5
271.16919	2.0
273.18457	1.1
279.21027	0.8
281.22549	1.0
285.18478	1.4
287.20093	0.7
293.22470	1.3
307.24216	3.2
339.23141	1.2
353.24869	3.2
363.30389	11.1
365.89069	0.6
391.29538	1.3
395.29498	0.8
409.30936	100.0
410.31299	6.2
413.84265	0.6
437.34439	1.2
455.36096	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3152
Annotation	Wilforic acid
Peak:m/z	Relative Intensity
50.94401	1.0
53.03922	1.9
55.05495	9.5
57.07043	2.3
65.03914	1.9
67.05193	1.1
67.05493	11.9
69.07053	13.6
69.83937	6.6
71.08601	1.1
79.05481	12.2
81.06606	2.0
81.07041	22.6
83.08605	15.2
86.29300	1.0
91.04926	1.2
91.05459	16.4
92.95425	1.0
93.07026	35.1
95.04920	2.2
95.08591	50.4
96.08851	1.2
97.10123	3.3
99.08041	1.0
99.96734	0.9
103.05376	1.1
105.06340	1.2
105.07010	28.8
107.08572	51.1
109.06464	2.3
109.10141	29.9
109.22877	0.9
111.08020	2.7
115.01768	0.9
117.06953	3.5
119.08559	57.2
121.10123	100.0
123.08022	2.0
123.11710	10.1
129.06972	1.6
131.07562	1.2
131.08537	11.4
131.57364	1.0
133.10107	42.4
135.11671	26.0
137.13184	3.0
139.11194	0.9
143.08496	2.3
144.09125	1.2
145.10109	13.9
147.11650	19.6
149.13242	16.4
151.11290	1.1
153.09044	1.4
155.08394	1.1
157.10074	3.4
159.08073	1.5
159.11650	12.2
161.09537	1.0
161.13219	17.3
163.07503	1.5
163.11143	1.1
163.14828	11.7
165.09090	1.0
169.10080	1.8
171.11696	6.2
173.09554	1.4
173.13242	14.7
175.14793	48.1
176.15161	1.9
177.16357	80.5
178.16681	2.4
179.14201	1.4
183.11537	1.9
185.09474	1.2
185.13165	4.2
187.11098	2.2
187.14784	18.1
189.16354	52.9
190.16628	1.6
191.14273	1.8
191.17966	5.7
193.15775	3.6
197.13164	3.2
199.11067	1.3
199.14786	6.1
201.12578	1.3
201.16327	12.2
203.14200	1.0
203.16150	1.5
203.17924	19.0
205.12062	1.5
205.15735	3.2
207.13670	2.3
207.17302	3.7
211.14751	1.8
213.12802	1.4
213.16260	4.5
215.14192	4.4
215.17953	8.0
217.12173	1.5
217.15767	3.9
217.19368	1.1
219.13522	1.2
219.17346	1.7
221.15276	1.5
225.12695	1.1
225.16351	1.7
227.14142	1.7
227.17822	6.6
229.15814	2.0
229.19464	1.9
231.13817	1.8
233.15314	5.0
235.16772	3.5
237.16322	1.6
239.17889	1.6
241.19472	5.9
243.20998	2.9
245.15260	1.7
247.16768	2.4
249.18343	1.9
255.20894	2.6
257.22565	1.6
259.16907	1.6
261.14783	2.3
263.16327	5.1
267.20947	2.0
269.18906	1.4
275.16278	2.4
277.14249	3.4
279.15750	3.0
285.18405	1.3
287.19965	2.9
299.19904	1.6
301.09552	1.1
301.21500	1.7
303.19330	1.2
307.23972	1.6
321.25638	1.5
329.20877	1.4
339.23212	1.3
355.22440	1.2
363.30505	6.4
365.31735	1.6
373.28720	2.0
381.24213	2.2
385.23376	1.9
391.29407	5.2
391.33679	2.5
409.30634	32.5
410.30792	1.6
411.32639	7.4
419.28955	2.5
437.29800	21.2
437.35077	1.2
455.31168	78.6
456.31528	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	455.315
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03926	4.6
55.05500	16.1
56.55398	3.1
57.07065	15.0
62.06075	12.2
67.05492	35.5
69.03437	4.1
69.07050	25.5
71.08626	7.2
72.54485	3.5
79.05471	27.5
81.07047	58.6
83.08615	20.8
85.06557	4.5
85.10149	3.7
86.97531	3.0
91.05469	29.4
93.07027	58.9
93.07578	5.4
95.04955	4.5
95.08590	96.3
97.06514	5.7
97.10162	7.6
98.20616	5.1
105.07026	65.2
105.55377	3.1
107.08579	100.0
109.06519	7.1
109.10140	66.2
111.08045	2.9
117.06992	12.5
119.08562	77.9
119.96264	3.4
121.06483	4.2
121.10133	85.0
123.08085	9.7
123.11684	32.9
125.09595	6.9
129.06979	11.1
131.08554	40.2
133.10101	60.3
135.08063	16.0
135.11674	48.6
137.09610	15.6
137.13242	21.3
143.08575	10.6
145.10098	60.4
147.11671	55.7
149.09599	13.8
149.13196	26.1
151.11154	8.6
155.08479	6.0
156.09216	3.3
157.10089	25.3
158.10834	3.5
159.11665	43.1
161.09631	4.3
161.13239	40.5
163.11162	20.7
163.14772	25.9
165.12752	8.6
166.78012	3.7
169.10152	15.0
170.10931	5.0
171.11665	24.7
172.12450	4.1
173.13231	41.8
175.11171	6.8
175.14809	46.6
177.12740	4.8
177.16382	29.5
179.10628	4.2
179.17964	3.8
182.10844	3.0
183.11693	14.1
185.13196	19.2
187.14793	46.6
189.12737	6.4
189.16368	38.1
191.14360	6.6
191.17889	8.5
193.12300	6.8
193.15994	4.4
195.11681	4.5
197.13248	12.5
199.14835	20.1
201.12735	3.2
201.16339	28.9
203.14326	12.2
203.17928	45.9
205.12299	4.3
205.15843	90.1
205.19386	5.3
207.13754	3.4
207.17505	6.7
209.13237	5.1
211.14795	12.3
213.16336	16.4
215.14461	5.6
215.17931	13.9
217.12405	5.3
217.15884	7.5
219.13815	8.4
221.15416	3.7
225.16399	9.8
227.17966	14.7
229.15906	7.9
229.19420	7.7
231.17390	5.7
233.15237	4.3
235.16852	6.8
237.16281	6.2
239.17892	13.5
241.19362	18.0
243.17390	11.0
243.21022	6.3
247.17073	4.2
249.16318	6.2
253.19514	11.0
255.21069	9.7
261.18469	10.4
267.20840	5.1
269.22849	3.8
273.18375	9.9
277.19464	5.6
279.20929	3.4
285.18536	4.4
285.25681	4.3
287.20020	5.1
293.22653	5.3
295.24091	5.2
299.20016	6.1
313.24942	4.8
314.27686	39.6
339.23221	6.2
341.25168	3.7
363.30417	10.7
373.28958	14.7
391.29807	51.2
394.24533	4.5
407.29575	9.1
409.30261	65.3
409.34930	24.7
419.29175	28.8
427.35544	10.9
437.29996	59.9
438.30609	4.6
455.30792	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77605	2.0
53.03930	2.9
55.05499	12.2
57.07054	4.8
65.03947	2.0
67.05498	18.4
69.07057	15.0
69.80553	10.1
69.80978	6.7
79.05466	14.0
81.07045	32.1
83.04981	2.9
83.08609	16.4
85.06532	4.0
91.05456	18.3
93.07030	32.5
95.04955	4.3
95.07996	2.8
95.08594	49.7
95.20573	2.2
97.10149	4.0
97.94680	2.0
98.20679	3.1
99.08060	3.6
101.75207	2.0
101.83174	2.3
105.07021	36.7
107.08576	51.2
109.06473	3.8
109.10140	37.4
117.06976	9.7
119.07720	4.3
119.08559	57.4
120.08891	1.9
121.06551	2.1
121.10127	47.1
123.11688	21.3
125.09598	4.1
129.07002	2.5
131.08548	20.0
133.09158	3.8
133.10104	49.3
135.08020	2.3
135.11671	37.0
137.13237	11.6
139.11125	2.4
141.85486	1.9
143.08513	10.6
145.10107	30.8
147.11661	27.1
149.05887	2.1
149.09612	3.0
149.13228	18.7
151.14832	3.6
155.08528	3.6
157.10153	12.4
158.10878	1.9
159.11690	21.9
161.09572	2.5
161.13235	18.5
163.14772	17.2
165.12653	2.1
169.10085	4.8
171.11671	12.8
173.13257	24.0
175.11191	3.5
175.13405	2.5
175.14815	33.0
177.12718	5.0
177.16350	16.2
183.11659	5.9
185.13191	9.7
187.14795	31.9
189.12747	4.5
189.16351	48.4
191.17883	11.7
193.12279	2.4
193.15950	2.9
195.11720	2.4
195.13892	2.0
197.13193	4.9
199.14763	11.3
201.16380	21.4
203.14328	3.0
203.17929	24.6
205.15874	7.9
207.17390	3.4
211.14801	3.9
213.12691	4.3
213.16315	9.4
215.17923	14.8
217.15791	3.5
219.13829	7.0
219.17296	4.4
223.13110	4.1
223.15051	2.3
225.16293	3.9
227.14284	2.3
227.17938	14.8
229.19498	3.0
231.13719	3.7
231.17390	2.2
233.15265	5.7
235.16881	3.2
237.16394	3.0
239.17923	6.5
241.19429	5.9
243.21120	2.4
247.16994	4.2
249.18394	3.0
253.19516	2.9
259.17111	3.7
263.16351	5.3
267.21002	4.7
273.18478	3.6
279.21033	2.7
285.18274	2.4
289.19318	4.3
293.22617	3.2
307.24072	3.0
315.19873	2.1
325.21448	2.3
335.19910	2.5
339.22861	3.6
345.25717	9.7
357.24353	2.4
363.26910	2.9
363.30515	14.9
391.25824	3.2
391.29889	3.4
409.31061	100.0
410.31448	8.7
411.32761	2.8
419.29089	4.2
432.19431	2.2
437.29404	14.9
455.31308	28.0
455.35721	14.7
473.29697	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	455.3149
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03930	1.0
55.05492	6.7
57.07050	1.9
67.05179	0.8
67.05489	10.5
69.07059	7.9
70.06297	2.7
70.06709	1.3
71.01583	0.7
71.04973	1.2
79.05470	8.7
81.07041	24.4
83.04951	1.0
83.08584	4.4
85.06517	1.0
91.05458	10.8
93.07024	17.4
95.04930	2.2
95.08593	23.7
97.06492	1.6
97.10142	2.1
98.21410	1.3
99.08056	2.9
103.05430	1.2
105.06316	1.1
105.07007	15.4
107.08576	25.8
109.06448	2.7
109.10141	16.0
111.08019	1.1
117.07008	4.0
119.07719	1.3
119.08554	23.8
121.06418	1.5
121.09245	1.2
121.10118	22.4
123.08001	1.9
123.10850	1.0
123.11693	11.6
125.09579	1.7
129.06956	2.5
131.08534	12.1
133.09148	1.4
133.10103	21.9
135.08005	3.0
135.11662	23.4
137.09563	2.3
137.13206	2.9
141.06943	1.4
142.07729	1.2
143.08524	5.9
145.06505	1.0
145.10103	16.4
147.08051	1.9
147.11667	13.3
149.09561	1.6
149.13231	9.1
151.11145	2.7
155.08479	2.3
157.10120	7.2
158.10667	0.8
159.07971	1.5
159.10538	1.0
159.11687	12.2
160.11980	1.1
161.09674	1.9
161.12033	1.4
161.13235	12.6
163.11130	3.9
163.14801	6.0
167.08565	0.8
169.10071	4.7
171.11661	10.1
172.12354	0.8
173.09561	2.0
173.13228	11.1
175.11148	2.6
175.13628	0.7
175.14824	8.1
177.12657	3.3
177.16386	4.0
179.14258	1.9
181.10103	1.8
182.10902	0.9
183.11678	5.7
185.11754	0.8
185.13264	10.4
187.11122	2.1
187.14778	10.8
189.12679	3.1
189.16364	6.9
191.10527	1.2
191.14258	3.1
191.17853	1.8
193.10139	0.9
193.12224	1.1
193.15857	0.7
195.11591	2.7
196.12396	0.8
197.13274	5.2
199.11154	1.0
199.14758	7.8
201.12677	1.9
201.16365	9.3
203.14255	2.6
203.17882	4.6
205.12071	1.3
205.15782	3.1
207.17526	1.0
209.13162	2.6
211.14821	3.8
213.16293	3.9
215.14243	1.9
215.17928	4.4
217.12183	1.1
217.15846	1.7
219.13759	1.2
219.17311	2.1
221.13206	0.9
223.14771	3.6
224.15588	0.7
225.16357	3.1
227.14235	1.3
227.17848	3.9
229.12158	1.3
229.15842	2.2
229.19394	1.7
231.17406	1.3
233.15285	1.3
237.16310	3.3
239.17918	3.3
241.15782	1.4
241.19580	1.4
243.17477	0.8
245.15327	1.4
245.18895	2.1
247.16800	1.6
249.16521	1.1
251.17863	1.9
253.19363	2.6
255.17241	1.4
255.20988	1.3
257.15237	1.0
257.18906	2.0
263.17816	1.3
265.19403	2.3
269.15732	0.9
269.18890	3.6
271.20401	1.1
275.16107	0.9
277.19611	1.2
281.18646	1.0
283.16821	2.3
283.20309	1.7
285.18478	1.3
291.20947	1.9
293.22604	1.6
295.20508	1.2
297.18384	2.0
301.17850	2.0
309.21948	1.2
315.19391	1.1
315.99014	0.9
317.22327	1.3
321.22049	1.3
327.19153	1.3
335.23361	1.7
339.22961	1.0
349.21960	1.0
351.26639	2.1
355.22583	1.1
361.28625	0.9
363.30356	1.2
367.22791	1.1
373.28909	5.8
379.30078	1.4
381.23856	1.6
391.29840	15.3
407.29282	1.3
409.30600	7.7
419.29361	9.7
425.30255	1.3
437.30292	55.1
438.30658	3.4
455.31293	100.0
456.31659	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	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	0.2
70.87292	0.5
84.08141	0.2
94.93004	1.7
112.89587	100.0
114.10263	0.2
114.89352	0.8
119.01869	0.2
126.71396	0.1
128.06273	0.1
137.01935	0.2
162.01773	0.1
172.90663	0.1
173.02937	0.2
190.91901	0.2
202.89017	0.4
203.04050	0.2
208.97212	0.4
230.92548	0.2
232.92804	0.1
236.01083	0.2
244.90123	1.4
248.89728	0.3
250.89313	0.3
252.00357	0.2
274.94006	0.3
288.88995	0.4
292.94962	0.2
324.85254	0.2
334.92383	0.4
344.85657	0.3
346.92435	0.3
381.07858	1.7
455.11554	40.8
456.11911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01857	0.6
55.05504	18.0
57.07069	8.2
58.54966	0.5
67.05495	12.3
69.03394	0.5
69.07059	33.0
70.07398	0.6
70.97370	1.0
70.97743	1.2
71.04960	0.7
71.08624	3.8
71.45188	0.4
73.81621	0.5
79.05476	4.6
81.05772	1.2
81.07044	25.8
82.06545	1.5
82.07355	0.9
83.04942	1.6
83.08608	19.1
84.08926	0.6
85.06518	1.0
85.10136	1.7
91.05456	3.1
93.07034	6.5
93.89811	0.5
94.06538	0.7
95.04948	1.2
95.08592	29.1
96.08125	2.6
96.08906	0.8
97.06487	0.7
97.10157	11.0
99.08058	0.8
105.07023	5.5
106.07332	0.7
107.08573	9.8
108.08890	1.0
109.06496	0.6
109.10138	19.4
111.08038	0.8
111.11705	7.0
112.07589	0.9
114.09152	60.7
115.09505	1.2
117.05874	0.5
117.07018	1.3
119.08560	11.3
120.08901	1.0
121.10122	7.7
122.10458	1.3
123.08033	1.5
123.11690	10.0
125.09584	0.8
125.13234	2.2
128.07051	2.2
131.08563	2.9
132.08797	0.5
133.10089	6.7
135.11684	6.2
137.09650	0.7
137.13216	3.5
139.14806	0.7
143.08456	1.0
145.10115	6.5
146.10387	0.7
147.11679	4.8
148.11966	0.8
149.09523	0.7
149.13214	3.1
151.07591	0.7
151.14749	1.3
153.12775	0.8
157.10107	2.1
158.08112	8.6
159.11662	5.7
160.09668	100.0
161.09966	1.6
161.13222	3.3
163.07542	0.9
163.11154	0.7
163.14813	3.4
171.11639	2.1
173.13243	3.6
175.14809	3.5
177.12743	0.6
177.16350	1.6
178.16656	0.7
183.11751	1.1
185.13252	2.0
187.14787	5.4
189.16333	4.6
190.16663	1.2
191.17928	5.6
199.14856	1.6
201.16312	4.3
202.16747	1.6
203.14310	0.7
203.17921	3.8
204.18335	0.6
205.15869	1.1
206.16141	1.1
213.16382	1.5
214.16771	0.8
215.14174	0.8
215.17844	0.8
217.16116	0.5
217.19553	0.7
219.13593	0.8
219.17444	0.6
227.17839	0.7
229.15887	1.0
229.19548	0.9
233.15337	0.7
240.18201	0.5
241.19472	0.7
245.15256	1.1
247.16930	2.3
259.16949	1.1
261.18655	0.6
267.20947	0.5
269.22583	1.1
369.28119	0.7
375.27075	0.5
391.33826	1.0
408.33347	3.7
409.34814	3.3
427.58328	0.6
436.32858	1.6
437.34680	5.2
454.34167	2.4
454.38901	62.1
455.34811	2.5
455.39496	2.6
472.18570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.63421	0.7
55.05489	2.1
57.03429	3.2
57.06791	1.1
57.07067	21.4
62.06081	24.3
67.05489	4.4
69.07049	2.9
71.08242	0.8
71.08617	12.9
71.18697	1.5
79.05454	1.7
80.88903	0.7
81.07040	6.3
83.08606	4.2
85.10172	7.7
89.06003	0.8
92.30680	0.8
93.07022	2.0
95.08588	10.4
97.10157	2.9
98.98449	5.3
105.06975	1.3
107.08568	2.8
109.10162	4.4
116.53580	0.7
119.08546	1.7
121.10126	1.6
123.11685	2.1
124.01585	1.2
131.08560	0.9
133.10112	1.3
135.11674	1.4
142.02614	1.5
145.10110	1.7
147.11635	1.3
149.13158	0.8
155.01024	6.2
159.11610	1.2
161.13177	0.9
173.13184	0.9
175.14803	1.0
185.13223	1.0
187.14711	0.7
198.05275	2.1
199.14653	0.8
216.06305	3.5
216.18109	0.8
237.22266	0.8
239.23654	1.6
282.27896	12.7
313.27322	100.0
314.27609	1.4
393.23898	8.0
408.33578	1.2
436.28369	4.8
437.30661	0.9
454.28641	1.5
454.33948	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	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01855	10.8
55.05497	2.9
57.03428	1.7
57.07057	5.8
60.04494	1.5
61.10091	1.3
67.05491	4.0
69.03419	13.6
69.07042	9.1
70.02943	6.6
70.06563	8.1
71.04981	3.3
71.78456	2.0
72.04505	24.8
73.02913	11.8
73.06548	3.8
74.02458	1.3
81.03401	20.1
81.07035	1.8
83.04984	7.6
84.08133	2.8
85.02888	16.0
85.06526	8.8
86.09697	7.4
87.08094	5.7
90.05540	52.5
95.04951	7.3
96.08095	4.5
97.02867	13.8
98.02398	19.4
98.09648	1.3
99.04430	6.7
100.03961	8.8
101.06015	3.1
102.03777	1.6
103.03907	1.7
103.07577	3.8
107.04952	2.2
109.02859	33.1
110.06057	2.0
112.07569	2.4
113.05975	6.3
114.09161	5.7
114.10224	1.6
115.03930	1.8
116.03432	23.3
116.07070	3.3
116.10726	4.3
117.03308	1.7
119.04935	2.2
121.08398	1.5
124.07563	25.5
126.05508	2.6
127.03893	22.5
128.10701	2.0
130.08621	6.8
131.07082	2.0
132.06554	8.0
132.10202	2.4
136.07552	1.6
138.05481	3.2
139.03835	1.7
142.08611	23.1
142.09630	1.6
145.02831	2.6
145.04951	6.4
146.08095	2.3
147.04372	7.4
149.07347	2.5
152.07111	1.4
156.10172	2.6
158.04488	1.5
160.07814	1.3
160.09671	5.9
163.03874	6.2
164.07028	1.9
166.08627	5.8
172.06067	1.4
172.09663	4.6
174.11258	7.0
177.05426	6.5
180.06441	2.7
181.04970	2.4
181.44569	1.5
184.09662	35.9
187.06052	3.5
198.07599	4.7
199.06046	6.8
202.10712	100.0
203.11357	3.2
211.09613	10.2
216.08669	5.6
217.07083	5.8
220.11758	32.6
230.10193	13.0
234.09671	13.4
244.11833	2.1
257.29697	1.3
258.67615	1.3
262.12860	21.6
271.11758	3.0
292.11581	1.6
306.15427	1.8
310.12735	11.0
324.16479	2.5
328.13864	73.3
329.14209	2.0
337.50281	1.4
346.14923	18.8
364.15961	47.1
383.12695	1.8
418.20804	2.9
436.21692	3.5
437.15652	4.1
454.21362	8.2
455.16376	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	454.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05515	1.8
57.03424	0.5
63.02364	0.5
64.31351	0.3
67.05494	0.4
69.03420	2.1
69.07052	0.6
69.70250	2.8
70.06586	7.6
71.04958	0.6
73.02879	0.4
73.93087	0.3
79.05456	0.5
81.03408	4.8
81.05779	0.4
82.06551	0.3
83.07355	1.0
84.08132	0.5
85.02900	2.2
85.62003	0.3
86.09663	0.7
89.03908	3.5
90.97800	0.4
96.08118	9.1
97.02876	0.6
98.09681	13.0
99.04433	0.4
104.62840	0.4
105.06979	0.4
107.04983	0.5
109.02845	1.9
114.09160	1.4
116.10712	97.4
117.03356	15.1
117.11051	1.3
127.03876	0.7
130.08630	8.6
134.03638	0.9
135.04402	3.8
137.05965	0.6
145.02826	52.8
146.03157	1.2
147.04422	0.5
149.05952	5.6
163.03883	11.6
177.05446	75.3
178.05768	1.2
186.05475	1.0
195.06467	0.8
230.07947	0.4
274.10699	0.4
278.15866	1.8
292.14044	1.8
321.09592	2.1
322.91782	0.4
325.08957	0.6
339.10724	1.2
339.33255	0.4
351.30151	0.3
454.20673	100.0
455.20898	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	454.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10334	0.4
55.01859	0.4
55.05487	1.3
57.03429	0.7
65.03909	0.6
66.58620	0.4
67.05492	0.7
68.04993	0.4
69.03406	1.5
69.07053	0.4
70.06590	3.0
71.05027	1.3
72.08138	0.8
77.53320	0.3
79.05466	1.3
79.44188	0.4
81.03394	1.6
81.07031	0.7
83.04937	0.5
84.08117	1.6
84.72550	0.3
85.02895	2.1
86.06059	0.6
86.09688	1.3
89.03895	6.8
91.05467	2.1
93.07037	0.6
94.06572	0.5
95.04942	0.7
95.08582	0.7
96.08143	0.5
97.02855	1.3
98.06045	1.0
98.09669	0.4
99.04438	0.8
107.04929	0.9
109.02850	1.6
109.06496	0.5
112.07586	2.2
114.09114	2.0
114.10232	0.5
114.88671	0.4
116.07099	5.1
116.10737	1.9
117.03362	20.2
117.57592	0.4
118.06510	1.8
119.04916	3.6
122.06004	0.6
127.03893	1.4
128.07033	0.7
130.08620	34.9
131.04942	0.4
131.08900	1.1
134.03601	1.1
135.04396	6.1
136.03844	0.5
137.05933	0.7
138.05473	2.0
140.06973	0.4
144.08063	0.6
145.02823	51.6
146.03168	0.5
146.05981	4.0
146.08092	1.9
147.04393	10.1
149.05969	6.7
152.05692	1.2
161.05859	0.4
163.03873	20.4
163.07530	0.9
164.04227	0.8
164.07048	0.5
167.07011	0.8
174.05518	1.5
177.05440	100.0
178.05907	2.3
186.05473	1.7
188.07074	3.2
190.09456	0.5
195.06482	0.6
216.07483	0.5
230.08080	1.6
246.36826	0.5
292.10794	0.5
292.13898	8.7
303.26459	0.5
315.03589	0.4
321.09656	0.8
325.09033	0.5
339.10812	1.2
339.96286	0.4
422.24762	1.4
454.21201	1.4
455.19223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01876	0.4
55.05501	1.8
61.08289	0.2
69.03407	1.1
70.06580	0.4
70.84746	0.8
71.04977	0.2
72.08153	0.3
76.86744	0.2
79.05485	0.7
81.03395	1.1
81.07047	0.3
84.08121	1.4
85.02899	1.8
87.04432	0.3
89.03905	4.5
91.05463	1.1
95.08572	0.3
97.02883	0.6
97.98166	0.2
98.06036	0.5
99.04428	0.6
105.07030	0.2
107.04932	1.3
109.02850	0.4
110.06053	0.2
112.07597	3.7
114.09167	0.4
116.07087	0.5
116.10706	0.7
117.03371	6.7
119.04914	2.2
125.72533	0.2
127.03917	0.6
130.08623	100.0
131.08968	1.8
135.04401	11.3
145.02829	11.7
146.06020	0.6
146.08116	1.5
147.04390	9.4
149.05930	0.6
152.05627	0.3
163.03880	50.9
164.04210	1.3
177.05450	8.7
178.05850	0.3
181.04984	0.2
188.07027	0.4
241.99289	0.2
262.11969	0.2
292.13870	28.0
293.14130	0.9
307.08078	0.5
325.09244	1.5
394.13937	0.2
454.16632	1.0
454.22052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81183	0.3
55.05503	2.4
58.10364	0.3
69.03423	0.7
69.77969	1.6
69.78384	0.5
75.40714	0.3
76.03848	0.2
79.05489	0.9
80.61347	0.3
81.03421	1.0
82.06561	0.3
84.08135	1.7
85.02895	1.4
88.98710	0.2
89.03909	6.1
97.02888	0.8
99.04488	0.6
107.04961	1.9
112.07597	4.4
116.10696	0.7
116.68369	0.3
117.03364	6.3
117.04174	0.4
123.91786	0.3
127.03899	0.4
130.08627	100.0
131.08952	2.2
135.04402	15.5
138.46700	0.3
144.86961	0.3
145.01675	0.6
145.02829	10.5
163.03889	74.8
164.04272	1.6
177.05409	0.5
181.04929	0.5
204.46587	0.2
292.13879	31.6
293.14105	1.3
307.08075	0.7
325.09183	2.0
454.16495	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	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.63997	2.1
53.03934	2.9
54.63594	2.2
55.05502	11.3
56.44473	2.4
57.07069	4.9
66.79539	2.4
67.05247	2.0
67.05497	22.4
67.08862	2.2
69.06791	2.0
69.07063	22.7
70.39926	7.8
70.40348	5.3
71.04964	3.3
71.30840	2.5
74.40081	2.3
77.55855	2.3
79.05482	23.5
81.07046	53.0
83.08588	10.1
91.05448	17.9
93.07030	60.5
95.04954	4.1
95.08600	72.2
96.02923	2.2
97.06516	5.8
97.10136	4.4
99.08080	6.4
105.07022	68.8
107.08583	75.0
109.06454	2.4
109.10149	47.1
111.08059	3.8
117.06980	7.4
117.62862	2.4
118.68593	2.3
119.08564	87.5
121.09249	4.3
121.10130	88.2
123.08064	5.1
123.11688	32.1
125.09644	3.7
129.06981	3.7
131.08543	43.2
133.10112	65.6
135.08063	4.5
135.11670	41.1
137.13226	9.0
142.07816	2.9
143.08546	12.9
144.09366	5.5
145.10103	61.0
147.11668	32.6
149.09621	6.3
149.13239	25.4
151.11220	2.8
157.10138	12.6
158.10861	2.8
159.11678	47.2
161.13245	27.0
163.11183	3.2
163.14790	15.3
165.12808	3.5
169.10109	3.9
171.11662	13.4
173.09651	2.1
173.13248	38.2
175.14803	94.0
177.08971	3.1
177.12776	3.7
177.16351	34.3
183.11702	2.5
185.13272	16.4
187.14810	68.8
188.15114	2.7
189.16379	33.2
191.14255	4.8
191.17975	9.4
193.15843	7.1
197.13228	4.0
199.14813	11.7
201.16354	100.0
203.14252	3.3
203.17958	17.3
205.12242	4.6
205.15875	6.7
205.19740	2.6
207.17413	4.7
209.13257	3.0
211.14880	3.2
213.16338	19.1
215.17960	17.8
217.15811	3.8
217.19389	2.9
219.13702	5.5
219.17339	12.8
225.16449	4.0
227.17903	7.5
229.19444	6.0
231.17429	7.0
233.15346	9.0
233.19002	9.2
237.14700	3.0
239.17918	3.6
247.16930	4.8
253.19571	5.0
255.20879	4.0
259.16910	6.4
271.16916	3.0
273.18405	3.2
281.22684	6.3
291.05920	2.2
309.25781	12.5
311.27246	9.4
327.23102	4.7
341.24689	3.5
355.26208	18.7
383.29385	7.1
389.32022	12.4
391.33685	3.8
407.28101	4.3
407.33020	40.3
409.30542	7.9
409.34857	7.8
417.31577	2.5
435.28131	2.6
435.32709	27.7
453.33609	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	453.3357
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03936	2.0
55.05498	11.0
57.07069	5.0
58.37728	1.4
58.55997	1.5
66.93798	1.8
67.05492	15.3
69.03425	1.8
69.07064	21.6
69.59602	13.3
71.04974	2.4
77.03887	1.5
79.05483	15.0
81.07047	46.2
81.07532	2.6
83.04954	3.5
83.08593	10.1
91.05469	17.4
93.06555	1.0
93.07030	47.5
95.04953	3.8
95.08596	59.1
97.06525	5.6
97.10152	3.6
97.84557	1.3
99.08089	5.1
105.07014	59.1
107.08578	65.6
109.06541	4.2
109.10141	39.2
111.08047	2.8
117.06989	7.2
119.08567	72.1
121.06499	2.1
121.10124	72.6
123.08071	6.1
123.11684	22.2
125.09647	1.9
129.06984	2.9
131.08543	30.0
131.09431	2.2
133.10112	53.1
135.08037	3.7
135.11690	31.4
137.09622	4.6
137.13252	5.7
141.06891	2.0
143.08543	10.7
144.09312	3.0
145.10109	37.8
147.08081	2.7
147.11670	33.1
149.09554	9.9
149.13235	21.2
151.11163	23.8
153.09065	2.8
155.08618	1.8
157.10077	17.7
158.10851	1.3
159.11671	41.0
160.12157	2.0
161.09698	1.5
161.13235	23.2
163.11172	5.2
163.14795	21.7
165.09102	2.0
165.12726	2.2
169.10127	4.3
170.10913	1.7
171.11658	17.0
173.13232	31.3
174.13934	3.2
175.11266	2.8
175.14798	88.8
176.15273	3.3
177.12802	2.8
177.16368	50.2
183.11676	3.8
185.13226	15.0
187.11292	1.6
187.14798	49.8
188.15158	3.4
189.12672	2.1
189.16364	45.1
189.17998	2.7
190.16710	2.1
191.14328	5.4
191.17892	7.1
193.15880	12.3
197.13271	5.8
199.14798	13.6
201.16359	64.3
202.16820	1.7
203.14313	4.2
203.17923	37.7
204.18318	1.4
205.12253	3.1
205.15825	13.6
205.19524	1.9
207.17477	3.4
211.14828	5.3
213.16370	25.2
215.14565	3.2
215.17940	29.7
217.15892	4.8
217.19496	6.5
219.13808	3.7
219.17337	8.6
221.15352	3.7
221.18808	1.7
223.14970	2.1
225.16377	2.9
227.17955	10.9
229.15834	8.3
229.19487	3.7
231.13794	2.2
231.17395	23.1
233.15410	3.6
233.18956	6.3
235.16913	4.1
239.17836	2.9
241.19493	7.7
245.15401	2.6
247.16962	3.9
249.18437	10.0
251.18031	1.8
253.19467	4.1
255.21107	2.6
257.22745	2.1
259.16986	3.3
261.18530	3.7
265.19553	1.7
267.21033	2.2
281.22610	2.5
293.22421	2.1
295.24261	1.7
309.25903	5.8
311.27380	2.9
327.23260	2.0
333.25897	2.6
341.24765	2.2
355.26303	10.4
379.33487	3.0
383.29288	9.3
389.31964	20.2
390.32361	1.7
407.33093	56.3
408.33514	4.6
409.30588	4.6
409.34897	5.1
417.31631	2.5
425.34229	6.8
435.32565	100.0
436.33090	9.8
453.33655	75.1
454.34125	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	453.3356
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
50.43625	1.6
53.71670	1.7
55.05502	10.7
57.07045	6.1
67.05499	12.2
69.03410	1.7
69.07064	14.4
70.11739	3.8
70.12151	6.5
71.04981	2.3
71.08611	4.2
72.82938	1.7
74.83006	1.6
79.05479	16.5
81.06607	2.4
81.07047	35.4
83.08589	10.7
86.91665	1.8
89.05993	8.2
91.05469	12.4
93.07031	33.9
95.04970	4.0
95.07989	2.9
95.08586	41.4
97.06493	3.8
97.10144	2.6
98.21537	2.3
99.08082	1.9
105.06332	2.4
105.07015	38.6
107.08582	44.7
109.06481	7.5
109.10142	33.4
112.59658	1.7
113.06035	1.8
113.81107	1.6
117.06977	4.3
119.08559	49.5
121.06412	2.5
121.10134	45.2
123.08014	5.1
123.11691	11.6
124.84280	1.7
131.08551	16.6
133.08559	4.0
133.10106	48.8
135.08023	5.1
135.11658	23.9
137.09535	2.9
140.92001	1.9
143.08511	4.5
145.10110	20.8
147.08020	2.1
147.11668	35.6
149.09596	14.4
149.13240	14.0
151.11162	100.0
153.09041	4.5
156.09344	2.3
157.10112	7.5
159.11691	22.1
161.09583	2.5
161.13245	19.5
163.11136	4.1
163.14821	10.5
165.09015	2.1
165.12733	2.4
167.10632	2.3
171.11673	8.9
173.13203	11.2
175.11053	2.5
175.14804	30.5
177.12746	5.6
177.16350	16.2
183.11723	2.6
185.13199	5.3
185.46516	1.9
187.14799	23.0
189.16379	57.5
190.16667	1.7
191.17978	3.9
193.12048	1.7
193.15816	13.0
199.14827	6.5
201.16383	22.8
203.14230	3.6
203.17932	72.7
205.15837	5.9
205.19557	3.3
211.14828	1.9
213.16360	10.5
215.17903	15.7
217.15846	4.4
219.17363	5.3
221.18860	3.0
227.17847	4.2
229.15796	1.9
229.19359	2.4
231.17389	6.8
235.16943	10.4
239.14793	6.2
240.15138	3.8
241.19461	3.4
247.16937	2.1
249.18462	27.7
257.22485	5.3
259.17001	2.5
309.25317	2.1
334.68375	2.0
352.79388	1.8
379.33673	2.3
389.32083	17.9
407.33044	44.3
408.33655	2.4
425.34033	6.0
435.32544	40.2
453.33542	72.6
454.34109	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	453.3355
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03935	1.8
55.05499	12.0
56.81115	1.5
57.07062	7.7
59.04986	2.2
61.31421	1.9
65.52761	1.5
67.05493	25.3
69.03422	2.0
69.07051	16.5
71.04978	3.2
71.32691	4.3
77.84019	1.6
79.05473	22.9
81.07040	59.0
83.04960	2.6
83.08604	9.5
84.25918	1.4
85.06524	6.0
91.05468	22.4
93.06433	1.9
93.07026	45.3
95.04967	5.5
95.08590	70.8
96.08912	2.2
97.06496	4.2
97.10135	3.0
99.08062	2.8
105.07011	56.9
107.08573	65.8
109.06502	6.7
109.10139	46.5
111.08076	4.4
113.09625	5.3
115.05426	1.6
117.07015	10.7
119.08554	75.3
121.06516	2.6
121.09248	3.3
121.10120	62.4
123.08057	8.5
123.11687	19.0
125.09612	24.4
126.31202	1.6
129.06992	5.6
130.07797	2.0
131.08537	40.5
133.10106	82.1
134.10463	1.7
135.11664	30.8
137.09550	12.3
137.13216	5.4
141.06947	1.5
142.07779	1.9
143.08543	10.6
144.09315	5.1
145.10098	62.8
146.10628	2.5
147.11664	36.1
149.09579	11.1
149.13220	18.2
151.11157	24.6
151.14755	3.5
156.09332	2.9
157.10088	15.4
158.10918	4.4
159.11670	63.9
161.13234	26.8
163.07507	2.2
163.11163	4.3
163.14775	12.2
165.12761	3.1
165.16478	1.4
169.10136	3.2
171.11656	16.7
172.12389	2.5
173.13237	42.4
175.14792	77.2
177.12807	2.6
177.16351	23.1
183.11673	5.6
184.12468	2.9
185.13248	13.0
186.14050	2.0
187.14783	69.9
188.15152	2.8
189.16347	32.2
191.10762	1.6
191.14253	4.4
191.17912	3.5
193.15811	20.1
195.11728	1.7
197.13300	4.1
199.14740	20.2
201.16348	100.0
202.16702	3.3
203.14340	2.0
203.17929	17.8
205.12190	2.2
205.15852	10.4
209.13194	1.9
211.14755	4.5
213.16339	20.2
214.17004	2.4
215.14375	2.2
215.17917	30.6
217.15868	8.8
219.13838	2.6
219.17398	10.4
221.15274	3.0
225.16406	2.6
227.17938	6.2
229.15915	2.7
229.19467	5.6
231.17445	6.5
233.15338	4.8
233.18904	7.6
239.17880	2.7
241.19524	3.6
243.20940	2.2
247.16824	2.5
253.19597	2.3
255.21085	4.0
257.22772	2.3
259.17010	2.0
269.22601	5.6
271.16818	2.3
281.22513	3.4
295.24173	14.3
297.18207	1.6
327.23163	1.9
341.24765	13.9
389.31982	12.6
407.27640	2.9
407.33023	54.0
408.33441	4.5
409.34909	2.2
411.32568	2.1
417.31509	2.1
435.32553	40.7
436.32639	3.7
453.33572	95.3
454.33615	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03940	3.6
55.05491	14.8
55.87940	1.9
57.07055	7.7
62.06052	4.4
67.05495	17.0
69.07056	18.3
69.80338	15.3
70.80365	1.9
71.08619	3.0
79.05490	20.4
81.06587	3.7
81.07042	48.1
83.08610	13.7
85.10194	2.6
91.05467	23.0
93.07031	54.4
95.04954	5.3
95.08593	67.5
97.06502	2.4
97.10142	3.0
105.07018	65.3
107.08574	63.4
109.06497	2.7
109.10146	50.0
111.08067	2.5
117.06995	5.8
119.07712	4.7
119.08562	85.7
121.10126	100.0
123.08044	4.6
123.11681	21.6
125.09605	3.3
129.07024	1.9
131.08543	21.2
133.10110	69.5
135.07997	4.6
135.11681	38.0
137.09622	5.5
137.13234	4.7
143.08546	9.0
144.09311	2.3
145.10112	29.7
145.22339	2.1
147.08022	2.7
147.11670	48.8
149.09593	57.8
149.13229	23.0
151.11154	25.8
153.09113	6.1
157.10106	12.4
158.10915	2.8
159.11673	26.2
161.09637	2.9
161.13222	26.7
163.11145	7.7
163.14755	16.5
165.09079	2.1
167.10756	3.2
169.10178	3.5
171.11674	11.3
172.12267	2.2
173.13239	21.9
175.14792	57.5
177.12740	4.9
177.16347	34.2
179.14291	2.7
183.11681	4.8
185.13287	9.8
187.14792	35.4
189.14656	4.9
189.16353	87.1
191.14236	3.0
191.17941	7.5
193.12201	2.2
193.15903	14.6
195.11630	2.3
197.13318	4.5
199.14774	9.8
201.16354	41.7
203.14392	4.1
203.17918	92.2
204.18233	3.1
205.12315	2.5
205.15848	10.4
205.19472	5.9
207.17485	5.0
211.14830	2.5
213.16386	14.9
215.17943	21.8
217.15926	10.5
217.19479	2.8
219.17363	6.9
221.15277	2.7
221.19023	4.1
225.16370	3.5
227.17979	7.4
231.17471	10.8
231.21111	2.2
233.18950	3.6
235.16899	15.6
235.36101	2.1
239.17975	3.1
241.19563	4.2
243.21114	2.2
245.18921	2.2
247.16870	2.7
249.18474	33.6
257.22607	5.3
259.17123	2.9
261.18436	4.1
267.21072	3.3
291.21011	2.0
311.27347	3.0
313.27408	13.9
355.26315	5.2
357.73785	2.1
379.33502	4.6
389.32059	23.0
407.33069	71.6
408.33270	3.6
425.34070	8.7
435.32538	51.5
453.27621	3.8
453.33575	61.8
454.33887	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	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05492	15.6
57.07050	14.0
64.18857	5.2
66.83368	4.8
67.05490	32.5
69.07050	35.1
71.26192	11.4
71.26303	4.4
72.49659	4.7
79.05457	20.5
81.07042	69.5
83.04974	9.0
83.08590	13.5
85.06519	10.5
89.06011	24.5
91.05450	29.1
93.07013	48.6
95.04930	12.4
95.08587	67.9
97.10126	13.6
97.79111	5.3
105.07012	70.6
107.08569	76.8
109.06499	10.7
109.10149	64.1
111.08055	10.1
113.09592	8.5
117.06980	17.5
119.08558	80.2
121.10136	53.7
121.33754	4.7
123.08056	7.8
123.11691	35.5
125.09588	5.6
129.06946	11.4
131.08527	51.4
133.08575	8.5
133.10110	93.4
135.08044	6.0
135.11678	39.6
137.09570	12.7
143.08504	8.8
145.10115	72.1
147.11684	50.3
149.09605	9.6
149.13249	25.1
151.11171	15.3
155.08557	5.2
157.10089	27.4
159.11650	69.5
161.13295	30.7
163.14748	18.2
171.11650	21.8
173.13248	43.3
175.14804	65.2
177.16350	16.2
183.11674	6.6
185.13176	24.6
187.14786	90.6
189.16342	43.2
193.15817	21.4
199.14787	25.2
201.16347	96.9
203.17915	18.1
205.15764	6.2
213.16307	24.3
215.17949	49.5
219.17374	12.4
227.17923	9.3
229.19446	5.7
231.17551	7.2
233.15350	11.5
233.19124	5.6
239.14893	15.2
240.15137	9.3
253.19527	8.3
255.21060	7.0
259.16669	8.4
261.18527	6.4
273.18481	5.2
295.24124	7.4
297.25452	5.7
298.33878	6.0
311.27155	6.3
327.22983	6.5
341.24646	7.4
376.92493	5.2
389.31842	17.5
407.33020	51.7
435.32535	66.0
453.33618	100.0
462.56754	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	453.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	16.7
57.07063	5.1
65.31039	2.4
67.05499	26.5
68.27496	2.9
69.07050	21.7
70.97357	4.4
70.97709	3.9
71.04976	2.8
77.86018	2.6
79.05486	26.0
81.06585	4.9
81.07045	65.1
83.08606	16.4
89.75235	2.3
91.05468	29.4
93.07033	73.6
95.04953	4.2
95.08596	84.8
97.06515	5.0
97.10160	6.7
99.08081	6.6
105.07018	77.8
107.08579	84.0
109.06529	7.0
109.10145	59.4
111.08053	4.0
111.11729	2.5
117.07041	14.5
119.08566	99.7
120.05637	3.0
121.10123	97.4
123.08047	6.9
123.11688	35.8
125.09577	3.3
129.06996	8.3
130.07797	2.8
131.08551	43.6
133.10103	73.7
135.08080	6.7
135.11673	47.3
135.12624	4.0
137.13248	9.1
143.08525	12.6
144.09326	5.4
145.10103	68.1
145.11206	4.9
147.11667	39.8
149.05998	2.8
149.09648	5.6
149.13246	28.2
151.11162	4.4
155.08502	3.8
156.09396	2.5
157.10123	17.8
159.11682	57.5
161.09576	3.4
161.13235	34.0
163.07599	2.8
163.11150	6.9
163.14775	16.5
169.10109	5.8
171.11665	16.4
171.46675	2.4
172.12419	3.9
173.13243	44.2
175.14806	85.9
177.16354	33.9
181.10072	3.9
183.11699	7.2
185.13242	26.0
187.14787	83.2
188.15118	2.7
189.16359	38.5
191.14294	5.3
191.17949	9.4
193.15889	10.4
197.13301	8.0
199.14767	19.4
201.16371	100.0
203.17921	23.3
205.12109	4.4
205.15852	7.1
205.19409	2.5
210.87881	3.0
211.14815	5.1
213.16356	14.3
215.17931	21.4
217.15999	5.9
217.19551	3.9
219.13774	4.6
219.17455	13.6
221.15379	3.7
223.14842	6.1
225.16417	5.6
227.17946	8.4
229.19548	7.1
231.17484	7.9
233.15317	6.4
233.18999	6.1
239.17914	4.8
241.19612	4.0
247.16920	3.5
251.17723	4.2
253.19518	4.1
259.16895	3.7
261.18488	2.7
267.21042	2.8
281.22598	6.1
285.18643	2.8
309.25781	11.0
311.27289	7.9
327.23019	3.0
337.28738	2.6
341.24670	4.7
355.26352	17.8
383.29456	6.2
389.31985	15.7
391.33731	6.0
407.33157	38.4
409.35168	13.1
435.32806	26.6
453.33804	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	453.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65196	0.7
53.03924	1.2
53.28585	0.6
53.59737	0.5
55.05503	8.0
56.62530	0.7
57.07069	9.5
62.87894	0.6
65.03913	1.2
67.05495	22.2
69.07055	15.0
69.81846	4.2
71.08609	1.4
79.05484	8.9
81.07044	73.6
83.04980	0.8
83.08608	10.7
91.05457	7.0
93.07030	14.3
93.07580	1.2
95.04974	2.1
95.08592	100.0
95.40514	0.6
96.08904	1.2
97.06531	1.1
97.10143	4.1
98.21344	0.7
105.07011	11.4
107.08581	16.2
108.08910	0.7
109.02551	0.6
109.06493	1.1
109.10146	37.8
110.54109	0.6
111.11709	1.9
117.07015	3.1
119.08556	13.3
121.06507	0.8
121.10133	13.4
123.08075	0.9
123.11692	36.4
124.12046	0.9
125.09612	0.9
128.06194	0.9
129.07004	2.6
131.08546	8.2
133.10110	9.0
135.08063	0.6
135.11671	8.4
137.13235	61.7
138.13588	1.2
141.06984	1.7
142.07704	0.9
143.08554	7.7
145.10117	10.7
147.08040	1.1
147.11674	6.1
149.13240	6.5
151.11275	0.6
151.14798	5.2
152.06149	0.6
154.07814	1.0
155.08553	2.8
156.09274	0.9
157.10129	6.2
159.11658	9.0
161.09604	1.6
161.13231	5.3
163.14789	2.9
167.08580	2.0
168.09355	1.3
169.10077	6.1
170.10898	0.8
171.11667	7.5
173.09692	1.3
173.13229	7.0
175.11227	1.5
175.14818	5.5
177.16403	2.7
179.17917	12.9
181.10088	3.3
183.11668	4.9
185.13248	6.6
187.11195	1.6
187.14804	7.0
189.12772	1.8
189.16367	3.7
191.14240	0.9
191.17944	3.8
193.19571	1.7
195.11685	3.4
196.12369	0.8
197.13258	4.4
199.11203	0.7
199.14810	7.7
201.12749	1.5
201.16388	6.4
203.14413	1.5
203.17931	2.9
205.12292	0.8
205.15988	0.9
205.19597	1.7
209.13223	4.6
211.14796	4.8
213.12833	2.9
213.16295	3.6
214.17148	1.3
215.14357	2.1
215.17896	5.9
217.15887	2.6
217.19434	0.7
219.13980	0.6
219.17496	1.3
221.15413	0.8
223.14940	2.5
225.16393	1.5
227.14278	6.5
227.17982	1.5
229.15904	6.3
229.19492	1.3
231.13786	0.9
237.16344	3.8
239.17972	4.0
241.16010	1.0
241.19527	1.4
243.13872	0.7
243.21024	0.7
245.15518	1.5
251.18047	2.1
253.19490	1.5
255.13757	1.5
255.17439	2.3
255.21237	1.1
257.15683	0.7
257.16574	0.8
257.19077	4.6
259.13303	1.1
265.19547	2.1
267.21155	1.1
269.19046	2.2
271.20731	1.8
273.14798	5.9
273.17465	0.6
281.22610	0.9
283.17319	1.0
283.20630	3.3
285.18579	0.9
297.18460	0.7
301.18076	1.8
311.20175	0.8
389.32333	4.2
407.33371	17.7
408.34064	0.7
421.31314	0.7
435.32843	6.6
453.33804	32.2
454.34045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03931	1.4
55.05502	7.1
57.07060	2.9
59.04988	1.3
62.54509	1.0
67.05489	13.7
69.03423	1.2
69.07045	8.1
71.03836	3.5
71.05003	1.2
72.13025	0.9
77.69545	1.0
79.05484	12.6
80.51115	1.1
81.07039	39.3
83.04961	1.5
83.08581	6.2
85.06504	1.0
85.84628	1.0
91.05463	10.6
93.07018	25.8
95.08582	30.4
97.10149	2.2
98.82717	1.3
99.08039	1.0
105.07008	32.0
107.08572	45.1
109.06516	2.2
109.10136	47.4
111.08067	3.7
113.09637	2.3
117.06958	5.3
119.08555	40.2
119.09394	2.2
120.08911	1.5
121.09240	2.0
121.10118	41.6
123.08056	1.7
123.11683	8.2
125.09588	2.8
129.06982	3.3
131.08534	22.0
131.09430	1.9
133.10103	42.7
135.11667	21.3
137.09624	6.5
137.13199	2.0
142.07773	1.2
143.08545	6.5
144.09338	2.0
145.10101	29.9
147.11662	17.3
149.09615	4.0
149.13222	9.4
151.11165	3.2
151.14835	1.4
155.08452	1.5
156.09256	1.4
157.10112	7.3
159.11659	32.7
159.12933	2.2
161.13246	15.7
163.11082	1.5
163.14774	5.8
165.12657	1.9
169.10120	2.4
171.11679	10.3
172.12436	1.3
173.13231	19.2
175.14796	30.3
177.12842	2.4
177.16370	9.5
179.14336	1.2
183.11655	2.5
185.13194	12.2
187.14789	27.5
189.16318	16.7
191.10590	1.2
191.14203	1.4
191.17892	3.4
191.36766	1.1
193.15897	8.0
197.13155	2.0
199.14792	12.5
201.16331	31.3
201.18105	1.8
203.17888	10.1
205.12204	1.9
205.15849	3.2
211.14761	4.1
213.16306	9.1
214.17065	2.3
215.17947	14.4
217.15837	1.8
217.19507	1.3
219.13800	2.4
219.17424	11.0
221.15335	1.9
225.16306	3.3
227.17918	4.1
229.19550	2.0
231.17377	5.0
233.15388	4.1
233.19049	2.6
235.16837	1.8
239.17894	3.5
241.19542	3.3
243.21205	1.9
245.15311	2.2
247.16835	2.6
253.19438	3.0
255.21056	3.6
259.16888	5.0
261.18536	1.5
267.20990	2.2
269.22693	1.9
271.17102	2.6
295.24133	26.5
297.25650	2.0
323.23672	2.0
327.22754	1.8
341.24695	27.3
369.27850	1.5
389.31906	6.0
397.27457	1.5
407.33038	29.9
408.32809	1.2
417.31485	1.3
423.32550	3.0
435.32611	21.1
453.33572	100.0
454.33948	5.1
464.08670	1.2
470.89203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03944	1.8
55.05505	10.9
57.07058	6.6
67.05494	15.9
69.07051	14.4
69.56431	8.7
69.56860	5.1
71.08604	1.9
77.86568	1.3
79.05483	11.2
81.07041	25.5
83.08584	9.4
85.06533	2.4
86.79787	1.5
91.05452	16.8
93.07032	30.8
95.08595	47.9
97.06522	2.2
97.10155	3.9
99.08068	9.7
103.05410	1.7
105.07013	35.8
107.08577	57.0
109.06527	2.0
109.10146	60.8
111.08051	1.7
117.07014	6.2
117.56219	1.6
119.08562	72.3
120.08913	1.6
121.10118	48.8
121.10956	2.8
123.08038	16.3
123.11694	10.1
125.09623	2.2
129.07018	3.4
130.07742	2.4
131.08546	28.9
133.10114	49.5
135.08029	5.8
135.11674	24.7
137.09598	1.7
137.13240	1.8
137.19324	1.4
142.07741	1.6
143.08546	6.1
143.74649	1.5
144.09268	3.1
145.10098	59.4
146.10454	1.7
147.11662	42.8
149.09598	4.3
149.13248	13.6
151.11191	1.6
155.08566	1.8
156.09355	1.6
157.10104	12.8
158.10904	4.1
159.11685	46.9
161.13234	21.5
163.11192	7.5
163.14789	11.9
169.10127	4.6
171.11655	12.5
172.12401	4.0
173.13234	29.0
175.11186	5.0
175.14795	32.0
177.11330	1.5
177.12782	6.9
177.16364	26.2
182.10835	2.3
183.11684	6.6
185.13214	15.8
186.14026	2.6
187.14789	57.5
188.15216	1.9
189.12646	2.1
189.16353	41.1
189.18005	2.8
190.13510	9.0
191.17941	6.0
193.15839	1.5
193.75285	1.5
195.13821	4.3
197.13248	4.2
199.14813	12.0
201.16360	100.0
202.16733	3.5
203.14326	5.0
203.17924	20.0
205.13910	3.3
205.15848	65.3
205.19513	2.4
206.16217	2.5
207.17334	7.4
209.13229	2.4
211.14813	3.5
213.16341	17.0
215.14272	2.8
215.17889	15.9
217.19403	3.5
219.17389	11.9
225.16414	3.2
227.17976	8.7
229.15871	1.9
229.19493	5.3
231.17474	2.6
233.18996	3.9
235.16893	2.4
239.17963	2.1
241.19405	3.7
243.20850	2.3
245.15260	2.4
245.19214	2.4
247.16895	10.3
255.21085	2.2
267.21091	3.6
319.23993	2.3
335.27225	4.2
347.27405	1.7
365.28314	2.6
389.31931	10.7
407.33090	66.4
408.33466	4.9
409.34494	4.3
423.32523	9.9
425.34097	5.3
435.32599	23.2
446.13937	1.8
451.87781	1.6
453.33618	72.4
454.33765	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	453.3355
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05505	12.8
57.07066	6.4
61.44168	1.7
67.05485	15.0
69.07061	19.3
70.83323	5.9
70.83673	2.2
75.30041	2.1
79.05469	14.0
81.07041	31.1
83.08588	8.1
91.05457	19.1
93.07028	31.1
95.04965	3.1
95.08591	51.1
97.10155	4.9
105.07007	48.7
107.08577	65.4
109.10134	30.2
111.08059	2.6
117.07005	5.9
119.08561	100.0
121.10126	47.6
123.08073	4.4
123.11684	13.4
129.06984	3.9
131.08548	35.6
133.10106	60.7
135.08058	4.2
135.11667	34.5
137.09595	2.4
137.13231	7.1
142.07788	2.1
143.08571	11.5
144.09320	3.7
145.10104	70.0
147.11665	40.7
149.09648	2.2
149.13243	16.2
151.11165	2.3
151.14790	2.6
156.09471	2.4
157.10094	13.4
158.10834	3.6
159.11682	56.6
160.12390	1.9
161.13228	31.8
163.11183	14.0
163.14777	18.4
169.10028	3.4
171.11662	12.4
173.13255	33.6
174.13930	2.6
175.11194	2.1
175.14792	28.7
177.12749	4.3
177.16365	25.5
181.10181	2.4
183.11612	4.5
184.12561	2.4
185.13219	12.1
186.13994	3.7
187.14799	61.8
189.16360	80.4
191.17937	10.4
197.13223	3.5
199.14790	12.9
201.16359	96.4
203.14197	2.6
203.17920	33.4
205.13911	4.5
205.15845	79.6
206.16188	2.0
207.17419	8.5
211.14873	4.7
213.16328	16.8
215.14542	2.3
215.17989	9.1
217.15924	4.2
217.19547	3.4
219.17442	5.5
223.16852	4.9
227.17958	7.0
229.15895	4.0
229.19513	2.9
231.17360	4.4
239.17920	3.6
247.16838	18.6
253.19345	2.9
257.22638	1.9
267.21158	2.5
295.23996	2.2
389.31882	8.6
407.28256	3.6
407.33072	45.8
408.33716	2.8
409.34793	2.7
425.34021	3.9
435.32526	25.1
436.32245	2.3
453.33514	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01845	1.0
55.05498	10.4
57.03414	1.1
57.07056	3.1
65.03906	1.1
67.05493	17.9
69.03397	3.2
69.07054	12.3
69.57260	10.0
71.04971	2.8
71.11855	0.9
77.03888	1.3
79.05479	18.8
81.07041	33.4
83.04971	4.0
83.08595	7.9
85.06531	12.0
91.05455	22.3
93.07027	40.9
93.29923	1.0
95.04965	5.7
95.08591	33.1
97.06499	7.3
97.10151	2.5
99.08073	2.5
100.12402	1.1
103.05444	1.8
105.07007	40.9
107.08573	49.7
109.06490	3.9
109.10136	38.7
111.08057	3.0
115.05441	1.5
117.06982	7.0
119.08562	52.9
121.06489	4.1
121.10123	100.0
122.10424	1.6
123.08051	12.3
123.11680	19.9
125.08745	1.2
125.09619	2.9
128.06175	1.9
129.06979	6.1
130.07765	1.2
131.08549	28.0
133.06470	3.7
133.10107	47.6
135.08047	9.1
135.11668	61.0
137.09602	9.7
137.13240	4.1
141.06941	2.1
142.07726	3.0
143.08540	18.5
144.09279	2.1
145.10095	36.6
147.08020	22.4
147.09149	2.1
147.11649	30.8
149.09592	24.8
149.13217	10.1
151.11130	3.0
153.09052	1.9
155.08452	5.2
156.09325	5.0
157.10107	23.7
158.10828	1.4
159.08028	2.1
159.11671	30.4
161.09618	10.0
161.13231	21.2
163.11156	5.5
163.14818	12.9
165.09071	9.3
165.12749	2.7
165.16260	1.7
169.10139	7.9
170.10869	2.4
171.11673	22.9
173.09555	2.7
173.11836	1.6
173.13245	21.4
173.14648	0.9
175.11174	11.2
175.14784	16.6
177.11240	1.6
177.12703	11.0
177.16321	6.6
179.10614	7.6
181.10011	2.1
182.10857	1.5
183.11644	13.9
185.13228	26.2
187.11140	3.7
187.14781	18.2
189.12727	13.9
189.16365	17.0
191.10698	1.1
191.14304	4.5
191.17876	1.7
193.12234	2.5
193.15891	1.5
195.11658	3.7
195.13751	1.8
196.12520	1.3
197.13170	9.8
198.13945	1.4
199.11063	1.5
199.14796	22.7
199.16464	2.0
201.12755	3.5
201.16365	15.5
203.10532	1.1
203.14301	11.6
203.17905	8.0
205.12253	2.0
205.15819	8.2
207.17473	1.7
209.13225	1.8
211.14796	5.5
213.12691	3.9
213.16325	12.3
214.16803	1.1
215.14305	9.8
215.17841	6.0
217.12192	2.3
217.15863	11.7
219.13765	2.1
219.17441	3.0
221.13382	1.8
221.15346	1.2
223.13029	7.4
223.15092	1.5
225.12665	1.4
225.16298	5.1
227.17845	5.9
229.15855	3.7
229.19501	3.2
231.13805	2.1
231.17358	8.9
233.15335	4.4
233.18924	1.8
235.13194	2.9
237.16342	3.1
239.17940	4.7
241.19467	3.8
243.13753	1.7
243.17448	7.3
243.21066	1.2
245.15428	1.9
245.19037	3.1
251.17889	3.3
253.19513	4.3
255.17380	2.8
255.21089	2.0
257.16165	1.1
257.18903	7.1
259.20401	1.4
265.19339	2.5
267.21002	2.5
269.18829	3.0
271.20462	3.6
277.19327	1.6
283.20367	2.0
286.01657	1.0
293.22507	1.9
297.18430	1.2
307.23956	1.3
309.22064	2.0
339.22968	2.5
347.27264	3.9
355.22504	2.5
357.24329	2.9
361.28818	1.9
365.28333	6.4
371.27338	3.4
379.29974	12.0
381.31500	1.6
389.28268	20.4
389.32776	1.7
391.29718	1.2
407.29251	89.9
408.29807	3.3
417.27893	5.1
425.30432	28.7
435.28174	13.3
444.41858	1.1
453.29236	41.4
454.29922	1.2
471.30951	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	453.2993
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
55.05489	2.5
57.07047	0.9
67.05482	3.9
69.07057	4.6
70.92596	2.2
79.05472	3.1
81.07047	7.4
83.08618	4.1
91.05472	5.6
91.54942	0.6
93.07039	8.5
95.04919	0.7
95.08598	9.5
105.06999	9.6
107.08575	11.4
109.10138	6.8
117.07024	3.9
119.08565	14.6
121.10122	11.2
123.11691	2.8
125.06017	0.7
129.06973	2.4
131.08539	10.2
133.10109	10.4
135.11664	6.3
137.13211	1.4
142.07858	1.0
143.08537	6.6
145.10085	14.2
147.08009	0.7
147.11658	7.4
149.05934	0.9
149.13257	4.3
151.11131	2.4
154.84727	0.6
155.08521	1.9
157.10085	6.2
159.11673	7.3
161.13237	5.2
163.11166	0.9
163.14812	5.8
169.10075	3.2
170.10883	0.9
171.11671	9.5
172.12497	1.5
173.09566	0.7
173.13223	11.2
175.14804	6.4
177.16344	2.9
181.10062	1.5
183.11650	4.7
185.13245	7.2
187.14798	18.0
189.16388	9.3
191.10606	1.5
191.17909	2.2
193.10242	0.7
193.15887	0.7
195.11620	1.4
197.13251	1.9
199.14777	8.3
200.15698	1.4
201.12679	0.7
201.16339	6.2
203.17903	1.5
207.13875	0.8
209.13098	2.1
211.14839	6.6
213.16342	4.2
215.17940	9.0
217.12157	1.6
219.13716	1.2
221.13200	0.9
223.14751	1.9
224.15565	1.2
225.16316	4.2
227.17870	2.5
233.15349	1.2
235.14764	2.0
237.16365	5.1
239.17923	7.8
240.18584	0.6
241.19547	1.2
245.15585	1.2
247.14641	0.7
253.19505	1.2
257.15286	4.1
263.17892	1.4
265.19516	3.6
267.21036	0.8
271.16928	3.1
277.19489	2.0
283.16791	4.1
285.18289	0.9
291.21039	1.6
293.22693	0.7
305.22583	5.4
319.24033	1.5
331.23865	1.2
346.26474	1.4
347.27283	0.8
351.23203	2.8
361.28842	14.7
362.29089	1.2
377.24774	3.8
398.77771	0.8
407.29349	100.0
408.29868	4.1
409.31113	2.8
435.32877	1.4
453.15356	5.0
453.29550	20.5
454.15543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73552	0.4
53.50416	0.4
55.02985	1.0
55.05505	3.4
60.05627	1.1
65.03951	0.5
69.80525	2.0
69.80947	1.2
70.06577	1.6
72.07761	0.8
72.08147	13.1
79.43591	0.4
81.03385	0.4
82.02934	1.0
82.06553	0.8
83.08613	1.7
86.09682	0.4
89.03916	2.0
91.05457	3.1
92.53785	0.5
95.04979	0.4
97.07643	7.7
98.02418	0.9
98.06008	0.6
100.07640	0.5
100.11237	11.6
101.34801	0.4
110.02388	37.0
111.04432	0.8
112.08672	0.5
112.91097	0.4
114.10275	46.9
115.08671	1.4
117.03377	7.7
119.04932	8.1
121.06508	0.7
128.07018	1.0
131.12912	1.4
134.03654	0.5
135.04413	0.9
139.08598	0.7
145.02831	24.0
145.71965	0.4
147.04390	35.8
149.05992	2.9
151.08647	1.5
152.07048	23.8
163.03908	1.4
169.09709	2.2
175.07501	2.5
177.05450	33.9
182.15353	4.4
183.08105	0.6
186.05447	0.6
194.09247	2.7
202.53929	0.5
209.16443	4.6
210.14836	3.1
211.07578	1.4
211.11884	9.2
217.13368	2.1
218.11630	2.0
226.19141	1.3
227.17567	0.6
243.10213	2.0
247.14383	1.2
248.12677	1.3
259.15555	1.7
260.13992	1.7
275.75589	0.4
277.16528	8.6
289.16592	1.7
290.14923	1.0
307.17520	5.5
326.27863	0.7
336.22708	0.6
394.16495	0.7
435.33246	3.9
436.18323	0.5
446.82764	0.4
453.21292	100.0
453.34253	20.2
454.21591	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	453.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62962	0.5
55.05486	0.8
56.96553	4.3
57.03425	0.6
60.05635	5.0
64.91337	0.4
69.03396	1.5
69.07035	0.6
70.06560	1.9
71.03831	1.5
72.08144	10.4
73.02899	0.6
73.06390	0.6
79.05459	0.6
81.03375	0.8
82.06547	0.5
84.04495	0.6
84.08091	0.7
84.95995	1.2
85.02891	4.0
86.07169	2.3
86.09641	0.5
87.07939	2.0
91.05460	0.9
94.06546	2.9
95.08585	0.5
97.02856	2.1
97.07619	1.8
98.01395	0.5
98.06023	2.4
98.97563	7.2
100.08720	0.7
101.09417	0.6
109.02872	1.0
110.06008	0.8
114.09101	0.8
114.09429	0.6
114.10279	10.3
115.08680	1.0
116.98619	6.8
119.04905	1.7
120.08051	0.7
121.06497	1.3
122.06009	1.1
127.03896	2.0
128.98586	1.1
129.05344	0.5
129.06941	1.0
129.11362	0.5
130.06468	1.5
130.08611	1.5
130.12071	0.5
131.00174	0.7
131.04865	0.8
131.12906	25.2
134.99638	5.0
135.04384	1.0
137.05916	1.4
139.03831	0.7
140.07042	3.9
144.08063	0.6
145.04924	0.5
146.99609	1.3
147.03246	1.7
147.04375	13.1
152.07051	14.4
153.00722	0.8
154.06445	1.7
155.04761	0.8
156.08044	1.4
157.06444	1.2
157.08781	0.8
157.10849	2.8
158.09586	0.5
158.99623	1.6
159.03305	1.0
161.01147	0.5
161.04788	0.6
161.05984	0.7
163.03885	2.6
165.00589	0.5
165.04370	0.7
165.07841	7.2
166.08560	1.3
167.07013	1.5
170.08350	0.8
172.07584	2.2
177.00665	3.4
177.04234	1.2
178.08604	22.9
184.07549	4.3
185.10728	1.4
186.09091	2.0
188.07001	0.7
189.00662	1.4
190.08623	1.4
192.06528	9.3
192.10170	1.6
193.09766	1.0
195.01785	1.0
195.09062	1.3
198.07803	1.1
202.08578	1.8
203.08133	1.5
204.10216	2.4
205.03810	2.2
206.11702	1.1
212.09482	0.6
213.10197	14.9
214.08618	1.0
214.10559	1.1
215.11787	3.0
216.10208	5.8
217.11325	0.6
217.13307	1.9
218.10460	2.2
219.01711	2.7
219.11238	2.4
223.04909	2.3
229.03714	1.0
229.09650	0.9
230.08066	1.4
231.05118	0.6
232.09735	6.3
232.11971	1.2
237.02774	3.1
241.09642	2.7
242.08060	2.1
243.08925	1.1
244.09671	1.0
245.09178	0.8
245.12808	15.2
247.04912	1.9
247.14391	5.3
258.09973	1.8
259.10638	1.2
260.13876	1.1
262.10648	1.0
265.05948	2.0
273.12308	46.1
274.12628	2.3
277.16541	4.1
278.17142	0.6
279.07275	0.5
289.05954	3.1
291.13348	100.0
292.13712	5.9
307.06927	0.5
309.08438	0.9
316.98337	0.5
319.07208	0.8
321.08447	0.7
337.08017	0.7
351.09641	0.6
409.09982	0.6
435.18552	1.5
453.05325	2.8
453.14063	3.5
453.18823	69.0
454.19250	5.0
454.93588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05510	4.2
57.03431	0.6
63.55500	0.7
67.05496	7.5
68.05016	1.9
69.03413	0.7
69.07051	4.7
70.06576	3.6
71.04967	0.9
79.05487	7.9
80.05018	1.5
81.03379	0.9
81.05784	3.7
81.07053	8.4
82.06577	1.3
83.04987	2.7
83.08617	1.3
84.08129	2.1
85.02898	0.9
87.16182	0.5
88.03981	1.3
91.05466	4.7
93.07036	5.6
94.06556	5.0
95.04956	2.3
95.08591	5.6
96.08119	28.2
97.06535	1.9
97.10172	0.8
105.07017	4.7
106.07378	0.6
107.08582	4.3
109.06492	1.0
109.10164	3.3
114.09154	100.0
115.09475	0.9
117.07014	2.0
119.08559	4.3
120.08857	0.6
121.10093	3.5
123.08031	0.6
123.11700	1.1
129.07045	1.2
131.08565	2.3
133.10135	3.1
135.08037	0.8
135.11694	1.6
140.07050	12.6
140.08133	0.7
142.07640	0.9
142.08621	9.8
143.08524	1.3
145.10139	2.5
146.10422	0.7
147.11659	1.5
149.09587	0.8
149.13193	0.6
155.08443	0.8
157.10107	1.4
158.08029	0.9
159.11690	2.2
160.09673	88.9
161.09789	0.7
161.13242	0.9
163.11215	0.9
169.10094	1.0
171.11783	1.3
173.13181	1.1
175.14798	0.7
183.11621	0.6
185.13316	0.8
187.14816	1.1
192.72067	0.6
193.12311	0.6
201.16234	0.6
211.14723	0.7
219.10251	0.6
221.15436	0.6
239.17969	0.9
257.19019	0.8
260.88712	0.5
261.67944	0.6
275.20032	1.2
284.18430	1.1
294.20724	0.7
308.22104	3.9
340.21133	8.2
354.22708	34.0
355.22971	1.5
372.28940	0.9
388.28470	5.5
406.29395	1.8
416.27829	1.8
434.28931	21.2
435.28915	0.7
452.30063	6.8
453.33649	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	452.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01853	1.0
55.05497	4.5
57.07084	0.5
59.67959	0.4
67.05488	4.8
68.05022	2.7
69.03412	0.4
69.07055	4.8
69.71060	0.5
70.06580	3.6
70.18291	0.4
71.04967	0.6
71.79591	0.7
79.05485	6.5
80.04982	1.0
81.03400	0.8
81.05772	3.4
81.07048	5.2
82.06574	1.0
83.04964	2.4
83.08604	0.8
84.04482	1.0
84.08121	2.1
85.02896	0.5
88.03963	0.4
90.44524	0.4
91.05449	3.5
93.07034	3.8
94.06543	5.5
95.04950	1.4
95.07330	0.8
95.08599	2.4
96.08115	30.7
97.06511	0.9
97.10158	0.6
105.07037	3.2
107.04875	0.7
107.08556	2.7
109.06461	0.7
109.10136	2.7
110.84438	0.4
111.08089	0.7
112.07587	1.1
114.09147	100.0
115.09464	0.9
117.06990	1.2
119.08539	3.2
121.10130	2.0
123.08096	0.5
123.11700	0.7
124.78342	0.4
125.09600	0.6
126.05502	0.5
127.03889	0.5
128.07013	0.5
129.06970	0.9
131.08575	2.1
133.10109	1.9
135.11696	1.0
137.05914	0.4
137.09621	0.5
140.07040	17.2
142.08621	8.1
143.08478	0.8
145.10085	1.7
147.11652	1.3
149.09604	1.2
149.13161	0.5
157.10107	0.6
159.11644	1.5
160.09663	80.3
161.09927	0.4
161.13246	0.8
163.11157	0.9
171.11699	0.5
173.13243	1.4
183.11678	0.5
187.14804	0.5
189.12653	0.4
194.58136	0.4
204.08609	1.0
275.19925	0.9
284.18512	5.4
308.22107	2.2
312.17914	0.7
336.21533	0.6
338.23026	1.4
340.21243	4.9
352.21265	0.6
354.22678	14.4
372.28702	0.9
388.28424	7.4
390.29901	0.7
406.29303	2.0
416.27911	2.5
434.28949	38.6
435.28745	0.8
452.29974	4.7
453.33447	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01877	0.3
56.23924	0.3
57.03422	0.3
61.74687	0.2
65.03927	0.5
68.05030	0.3
69.03428	1.3
70.00724	1.7
70.06568	0.4
71.04978	0.6
79.01856	0.4
80.05015	1.4
81.03406	7.0
85.02900	2.4
91.05466	5.4
95.01319	2.9
97.02888	3.7
99.04436	1.5
108.04473	3.5
109.02858	3.6
109.06496	0.4
110.06037	0.9
111.28797	0.3
113.07151	0.4
114.09145	0.4
119.04931	3.1
124.03940	0.6
126.05508	1.1
127.03904	2.5
130.08607	0.7
136.03920	100.0
137.04259	1.0
137.05962	16.3
145.02818	0.3
145.04883	0.5
146.78880	0.3
154.04968	43.7
155.05278	0.4
161.73515	0.2
272.09161	1.6
280.08124	15.2
290.10135	0.9
298.09180	23.7
299.09540	0.6
434.08664	0.4
434.14471	7.9
435.14331	0.4
452.15393	6.4
453.15204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3202
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05490	12.3
57.07054	5.1
64.18596	1.7
67.05488	16.7
69.07061	21.0
71.04977	2.2
71.08625	4.9
71.80853	3.1
79.05478	17.1
80.65432	1.9
81.07047	37.5
83.04977	6.5
83.08607	12.5
89.06040	2.8
91.05471	20.1
93.07030	29.4
93.07572	2.5
95.04957	4.9
95.08591	40.6
95.09190	2.7
97.06539	5.9
97.10149	5.8
99.04448	4.3
105.07009	46.7
105.97096	1.9
107.04948	2.2
107.08580	42.8
107.09315	2.1
108.08954	1.8
109.06499	4.4
109.10140	36.2
111.04427	2.6
111.08119	2.5
112.02035	2.0
115.05453	2.5
117.06995	11.3
119.08566	52.1
119.09399	3.0
121.06494	6.8
121.10126	46.8
121.10964	3.1
123.08014	4.3
123.11665	12.9
125.05984	9.0
125.09554	3.8
127.03889	4.2
128.06190	2.8
129.07016	6.3
131.08543	50.2
131.29497	2.0
133.06461	2.9
133.10115	36.5
135.08031	4.1
135.11670	21.9
137.05911	2.7
137.09596	6.1
137.13258	2.6
139.03845	2.3
142.07768	3.8
143.08542	15.9
145.10100	66.8
146.10638	2.1
147.08025	9.8
147.11655	27.2
149.09636	8.8
149.13243	11.0
153.05473	3.4
155.08560	4.3
156.09300	2.9
157.10117	18.0
158.10970	3.2
159.11647	33.3
161.09647	11.1
161.13226	17.4
163.11176	4.3
163.14821	9.3
165.09157	5.0
169.10146	5.8
171.11674	17.1
173.09593	4.3
173.13229	24.0
174.14052	1.9
175.11223	6.8
175.14810	44.0
177.12846	3.6
177.16331	9.5
179.10550	4.5
182.10965	2.5
183.11668	5.4
185.09668	3.0
185.13239	12.8
185.62143	1.9
187.11330	3.3
187.14789	37.6
189.12720	3.6
189.16339	21.9
190.53464	1.8
191.10738	3.3
191.14413	2.2
191.18007	4.0
193.15843	4.3
195.11710	4.1
197.13327	6.2
199.14740	14.2
201.12677	3.7
201.16336	15.0
203.14255	2.7
203.17967	6.1
205.15791	2.4
209.13347	3.3
211.14883	4.3
213.12807	2.9
213.16367	13.3
215.14354	2.6
215.17999	6.9
217.15831	25.7
217.17451	2.1
221.15448	3.3
223.09575	2.1
223.14799	3.7
225.16335	4.5
227.18015	7.5
229.15826	24.3
229.19537	2.5
231.13893	3.0
231.17448	16.4
233.15407	4.7
235.16962	3.5
239.17976	3.7
241.19510	2.4
243.17462	2.5
253.19748	2.7
255.17450	4.6
257.18964	4.6
259.16962	2.7
267.17349	2.8
269.19119	7.9
271.16882	3.4
273.18506	4.4
281.19055	7.4
281.22263	2.3
283.20764	3.0
321.22104	2.1
377.32031	3.9
379.26285	3.8
381.24219	2.2
387.30505	7.4
405.31476	66.6
406.32294	4.6
415.31909	8.1
423.32721	13.7
433.31149	20.8
451.32086	100.0
452.32355	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	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.01853	1.8
55.05503	13.8
57.07064	5.6
67.05496	18.4
68.05826	1.9
69.07064	14.8
69.45150	1.8
71.04969	2.4
71.05201	1.7
71.05560	4.0
77.03902	1.7
79.05482	18.7
81.07041	35.4
83.04969	2.0
83.08604	11.6
85.06525	2.8
85.18977	1.7
91.05462	19.8
93.07024	30.2
95.04971	5.6
95.08593	44.0
97.06535	4.6
97.10171	5.3
104.87411	1.8
105.07016	40.4
107.08574	41.9
109.06491	3.6
109.10136	25.7
111.08148	1.8
114.10291	3.7
117.07014	10.6
119.08558	46.6
121.10120	45.9
121.10945	3.1
123.08136	2.4
123.11669	12.1
125.09647	5.1
128.06227	2.3
129.06966	9.3
131.08543	26.0
133.06473	2.8
133.10100	44.5
135.08015	4.3
135.11678	21.7
137.13243	2.7
141.06972	3.3
142.07750	2.5
143.08510	15.4
145.10110	31.0
147.08051	3.3
147.11664	26.2
149.09615	5.1
149.13202	11.6
151.11200	2.7
155.08553	6.4
156.09338	3.8
157.10121	26.0
158.10838	2.0
159.11679	22.8
160.12448	3.0
161.09573	3.6
161.13243	16.9
163.11154	3.6
163.14842	8.7
165.09085	3.2
167.08516	3.2
169.10110	10.6
170.10918	3.3
171.11670	30.1
172.12405	2.6
173.13231	20.5
175.11205	3.6
175.14786	21.9
177.12779	3.1
177.16359	19.4
179.14224	2.3
181.10143	4.3
182.10838	2.7
183.11702	11.2
185.13213	17.2
187.14784	24.9
189.16359	50.9
191.14323	3.5
191.17946	2.7
193.15907	9.6
195.11755	7.7
197.13228	10.7
199.14799	26.4
201.12822	3.8
201.16351	21.4
203.14493	3.0
203.17979	7.8
205.15919	8.0
207.11824	2.9
207.17409	20.0
209.13280	4.9
211.14874	6.5
213.16335	47.3
215.14392	4.3
215.17908	16.9
221.13402	2.6
223.14803	6.1
225.16443	8.1
227.18013	7.6
229.15930	3.0
231.13829	2.0
231.17511	3.6
233.15370	2.2
233.60123	2.1
235.14886	3.3
237.16393	5.0
239.18018	7.2
245.15451	7.6
251.17911	4.1
253.19638	4.0
259.17120	2.7
265.19431	4.2
267.21198	3.6
271.17096	2.3
277.19656	3.1
293.22571	3.6
297.18600	3.0
303.20547	2.5
305.22571	2.0
323.20206	3.1
331.24289	2.5
351.23370	2.3
353.24484	1.9
359.22232	4.7
377.24515	3.7
377.32159	4.7
387.30441	26.3
393.28024	2.0
405.31665	29.6
407.33273	2.9
409.27194	3.3
423.32678	20.1
433.26154	2.5
433.31000	65.6
434.31561	2.9
451.32144	100.0
452.32831	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	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03941	1.4
55.05501	8.0
57.07072	4.1
61.41930	0.6
63.51965	0.7
65.03925	1.9
67.05495	16.8
69.03410	3.5
69.07058	13.2
70.39245	3.6
77.03945	1.3
79.05479	20.3
81.07046	30.6
83.04973	3.2
83.08609	6.3
86.17265	0.8
91.05467	22.2
93.07033	44.9
95.04958	5.3
95.08595	38.3
97.06507	7.7
97.10142	2.9
103.05473	2.1
105.07016	46.9
107.08578	51.7
109.06485	5.3
109.10144	28.1
111.08060	1.8
115.05412	1.7
117.07004	5.4
119.08566	71.3
121.06499	2.1
121.10127	100.0
122.10458	1.2
123.08050	10.6
123.11684	14.4
125.09602	4.7
128.06226	1.5
129.06975	3.5
130.07767	1.4
131.08548	24.2
133.10112	44.4
135.08076	4.9
135.11673	43.4
137.09602	9.1
137.13239	3.8
142.07784	2.4
143.08527	7.0
144.09332	1.4
145.10104	29.7
147.08029	11.5
147.11667	22.8
149.09589	9.3
149.13239	10.8
151.07492	1.5
151.11087	0.8
153.09058	7.7
155.08543	2.2
156.09326	2.1
157.10121	10.8
158.10887	2.2
159.11668	20.9
161.09598	5.4
161.13237	19.6
163.11142	1.8
163.14792	12.9
165.09097	39.0
165.12614	1.0
165.16223	0.8
169.10109	3.9
170.10918	1.6
171.11662	10.4
173.13242	20.8
175.11230	2.4
175.14803	30.7
177.12791	1.2
177.16368	11.7
179.10646	20.3
181.10057	1.8
183.11690	3.0
184.12463	1.6
185.13228	10.8
187.11160	1.2
187.14793	36.3
188.15042	1.1
189.12752	2.4
189.16360	21.9
191.14244	2.7
191.18015	1.9
193.15858	2.6
195.11595	1.3
196.12552	1.1
197.13200	2.9
199.14787	15.3
201.16350	20.0
201.28143	0.9
203.14325	3.5
203.17929	10.4
205.12209	4.7
205.15813	1.9
207.13826	1.3
209.13293	1.7
209.15224	1.1
211.14859	2.8
211.65042	0.8
213.16350	10.4
215.14314	3.0
215.17903	12.9
217.15811	7.6
217.19493	2.9
219.13785	2.2
219.17326	1.6
221.15216	1.6
223.14877	1.1
225.16362	3.0
227.17966	3.3
229.15846	3.2
229.19452	2.6
231.17415	7.5
233.15416	2.6
233.19115	0.9
237.16389	0.9
239.17955	2.5
241.19507	3.5
243.17363	1.3
243.20987	4.1
247.16945	1.1
253.19608	1.5
255.21069	3.2
257.22626	8.2
259.16910	2.0
261.18588	1.3
265.19482	0.9
267.20990	1.3
269.22647	2.4
271.24170	2.4
273.18607	0.9
293.22690	1.9
299.20389	0.9
307.24176	2.5
309.25775	3.6
311.20151	0.9
321.25818	1.5
323.23471	1.2
327.23166	1.0
339.23102	2.2
355.26321	2.1
377.32224	2.9
379.33554	1.8
387.30246	4.7
389.32056	1.7
405.31442	26.2
407.33124	4.4
409.31046	1.3
415.30087	0.9
423.32492	29.1
424.33066	2.0
433.30981	5.9
451.32037	44.4
452.32269	1.7
469.33072	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	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.04714	1.6
51.42477	1.9
55.05500	17.9
57.03420	1.9
57.07068	4.0
65.03936	1.9
67.05496	22.2
69.07056	23.0
71.79552	3.3
71.79942	2.3
73.02555	2.3
79.05481	19.5
81.07041	35.1
83.04940	2.0
83.08606	19.5
91.05473	22.3
93.07027	43.0
95.04955	5.6
95.08593	54.7
95.09187	3.0
97.10157	5.5
105.07014	61.3
107.08577	68.7
109.06490	3.5
109.10144	43.2
111.08058	1.9
117.07008	7.6
119.08563	66.6
121.06474	1.9
121.10121	54.6
121.10961	3.9
123.08004	2.5
123.11678	22.4
125.09423	1.9
129.06984	6.9
131.08533	17.2
133.06508	2.4
133.10112	65.6
133.11124	3.3
135.08063	3.0
135.11665	58.7
137.13248	6.3
141.06972	6.5
142.07732	5.1
143.08539	17.4
145.10100	24.6
147.11647	39.5
149.13260	30.7
151.14774	2.7
154.07796	3.5
155.08498	16.6
157.10117	14.3
159.08052	2.3
159.11652	18.9
161.09581	2.2
161.13235	31.4
163.14792	27.3
167.08513	2.6
168.09363	2.7
169.10098	14.9
171.11656	14.1
173.13269	13.3
175.11191	2.2
175.14793	21.8
177.16347	36.8
181.10147	7.8
182.10924	2.6
183.11646	16.4
183.12982	1.8
185.09578	2.3
185.13246	10.5
187.11206	5.5
187.14767	12.7
189.16350	52.8
191.17906	26.2
194.10880	3.0
195.11674	5.9
197.13220	21.5
199.11145	4.8
199.14798	10.1
201.12688	9.1
201.16324	12.7
203.17926	89.8
205.19521	3.3
209.13254	8.5
211.14813	7.5
211.36249	2.1
213.12729	4.0
213.16376	5.2
215.14267	17.6
215.17894	4.6
217.19537	14.8
221.13222	2.9
223.14836	3.6
225.16338	4.2
227.14304	7.1
227.17906	3.9
229.15872	5.0
235.14850	3.8
237.16385	5.2
239.17892	2.0
241.15993	2.8
241.19611	2.5
243.13768	6.6
243.17369	3.3
251.17848	3.3
255.17555	2.1
265.19534	2.6
267.21066	2.1
271.16876	2.3
273.14853	5.1
277.19513	6.9
283.20584	3.7
295.20520	11.8
323.20187	4.3
341.21014	6.0
355.22629	3.0
381.24414	4.7
387.30475	5.3
395.25836	3.1
404.42679	2.0
405.31415	21.4
433.31186	14.7
451.32068	100.0
452.32590	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	451.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01867	4.7
55.05505	16.8
57.03429	5.5
57.07063	6.8
61.02929	7.0
64.18616	2.9
67.05493	30.1
69.03422	18.3
69.07059	32.7
70.06588	3.0
70.28154	2.4
70.90154	8.4
71.04979	6.7
78.45546	2.4
79.05481	18.9
81.03432	7.4
81.07041	59.6
83.04985	6.4
83.08589	12.1
85.02890	40.6
86.66776	2.3
91.05465	25.9
93.07031	35.0
93.07559	2.7
95.04993	9.4
95.08591	50.8
97.02907	11.5
97.06519	4.2
97.10185	5.4
99.04455	3.6
99.08109	3.1
105.07004	59.3
107.04979	3.8
107.08581	48.6
109.02865	6.1
109.06546	4.7
109.10133	39.8
117.07029	9.5
119.08564	70.7
119.09374	4.7
121.06484	3.3
121.10132	50.0
121.10943	3.6
123.08122	4.8
123.11698	27.5
127.03941	8.8
129.06992	4.0
131.08549	26.3
133.10103	45.8
133.10997	3.4
135.08090	6.0
135.11684	31.3
136.72533	2.8
137.09622	4.1
137.13292	7.5
141.06989	3.3
143.08521	13.6
145.05002	6.2
145.10110	35.6
145.11159	2.4
147.08121	2.4
147.11656	62.0
149.09653	5.8
149.13223	24.5
151.11194	3.5
155.08607	5.2
156.09308	3.0
157.10072	18.2
159.11653	32.2
161.09619	5.0
161.13246	25.7
163.11215	7.5
163.14760	22.4
167.08536	2.9
169.10193	8.5
171.11696	20.7
173.13228	32.5
175.14803	30.7
177.16345	18.1
179.14366	5.4
183.11754	8.6
185.13269	12.3
187.13228	4.2
187.14792	25.0
189.12825	2.9
189.16344	18.1
191.14351	5.8
191.18065	3.5
195.11816	5.1
197.13301	8.7
199.11307	2.9
199.14799	19.6
201.16380	24.1
203.14345	3.0
203.18044	5.2
205.15999	4.3
211.14896	7.6
213.12926	2.9
213.16298	14.7
215.17967	18.5
217.15994	3.0
217.19595	4.3
223.14998	3.1
225.16487	6.5
227.12799	7.1
227.18022	7.9
229.19498	6.8
231.17508	5.6
237.16237	4.1
239.18024	3.6
241.19521	3.6
255.21202	3.6
271.24167	60.7
273.25943	7.9
281.22961	2.8
289.25381	9.7
305.22751	3.4
307.24191	2.9
349.25162	3.7
379.26602	2.9
387.30582	8.8
397.27530	2.9
405.31641	36.3
421.31116	4.1
423.32703	9.5
433.31012	46.0
451.32242	100.0
451.38358	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.30024	1.5
55.01869	6.7
55.05502	9.0
57.03423	6.9
57.07050	1.6
60.71916	1.4
61.02915	9.0
67.05494	7.2
69.03418	37.3
69.07044	7.3
70.06590	3.2
70.48422	1.3
71.04966	5.2
71.16098	2.6
71.16403	1.8
72.08128	1.8
73.02903	5.8
79.05487	8.8
81.03408	21.5
81.07033	9.1
83.04964	10.2
83.08612	1.8
84.08141	4.0
85.02892	51.9
85.06525	5.7
86.09704	2.6
87.04459	5.9
91.03951	3.8
91.05470	9.9
93.07015	10.0
95.04953	35.2
95.08588	5.4
97.02871	25.5
97.06514	3.9
99.04451	5.1
105.07002	15.0
107.04942	5.2
107.08584	8.2
109.02881	8.6
109.06501	13.1
109.10133	8.6
110.06039	1.4
111.04408	14.0
112.07590	8.4
113.05975	1.8
113.36440	1.3
115.03921	2.2
117.07005	4.7
119.04854	1.4
119.08554	13.8
121.06496	14.0
121.10133	13.6
123.04412	2.2
123.08050	3.2
123.11710	2.0
125.05959	11.6
127.03904	13.4
128.06213	2.9
129.07011	4.6
130.08618	100.0
131.08530	11.6
133.02853	4.3
133.06483	1.3
133.10071	10.2
135.04387	3.1
135.08052	5.4
135.11679	1.8
135.89549	1.2
136.03902	2.0
137.05952	34.9
137.09578	6.5
139.07535	5.6
141.06911	2.8
142.07799	4.3
143.08553	7.6
145.04922	5.1
145.06441	2.4
145.10120	14.1
147.04356	3.7
147.07985	4.5
147.11679	6.0
149.05965	6.0
149.09682	1.9
151.07568	3.9
151.11113	7.6
154.07715	1.7
155.08496	5.0
156.09361	4.7
157.10107	19.2
158.10880	2.6
159.08057	5.4
159.11688	6.7
161.02353	2.0
161.05968	3.3
161.09616	5.6
161.13263	1.7
163.03923	4.5
165.06961	2.2
167.07036	3.6
167.08514	3.5
168.09326	2.6
169.10092	16.5
170.07230	1.9
170.10876	2.8
171.08066	2.0
171.11656	10.8
173.09573	8.4
173.13226	18.8
175.07527	2.0
175.11157	3.5
177.09099	2.9
179.08549	3.3
181.10066	8.1
182.10834	1.7
183.11652	9.7
185.09610	15.8
185.13263	2.9
187.11171	20.4
187.14818	4.4
189.09056	2.1
189.12799	2.4
193.10057	4.7
195.11668	6.0
196.08775	1.7
196.12457	1.8
197.09595	8.9
197.13318	8.3
199.11115	4.3
199.14874	2.0
201.12701	3.8
207.11710	1.5
208.12477	2.3
209.13110	1.9
210.14058	2.5
211.11171	6.7
211.14920	6.9
213.12729	3.8
213.16316	8.2
215.10619	12.7
223.14702	7.6
225.12737	6.6
225.16264	8.4
229.16023	1.7
235.14746	2.6
240.15038	7.2
241.15825	65.6
242.16116	1.6
253.15833	14.4
259.16901	5.1
271.16876	90.9
272.17258	3.2
285.10986	1.8
289.17957	19.9
330.62054	1.5
347.14890	1.5
382.30054	1.4
433.16739	1.9
433.22095	6.5
451.17261	1.2
451.23206	17.7
452.15466	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	451.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83561	1.3
53.03931	6.8
55.01852	5.8
55.05492	5.9
57.03423	7.6
57.07064	2.1
59.04992	1.5
61.02911	10.4
65.03937	1.4
67.05496	8.3
69.03413	34.6
69.07046	7.7
70.06573	1.7
71.04972	4.5
71.79113	2.7
72.08126	3.4
73.02892	5.1
79.05482	8.9
81.03395	24.1
81.07038	10.3
83.04970	9.0
83.08582	2.1
84.08106	1.9
85.02368	2.6
85.02888	52.1
85.06529	8.5
86.09692	4.4
87.04446	5.6
90.67451	1.2
91.03936	3.1
91.05461	11.1
93.07030	11.1
95.04385	2.3
95.04955	36.9
95.08570	5.8
97.02879	23.3
97.06502	4.0
99.04420	5.3
101.73025	1.6
105.07018	13.6
107.04937	3.1
107.08575	9.2
109.02872	9.5
109.06506	18.2
109.10133	9.2
110.45458	1.3
111.04425	13.6
111.08059	2.5
113.05963	1.5
113.07083	1.3
117.06993	4.6
119.04917	1.6
119.08561	17.9
120.08076	3.2
121.06481	13.3
121.10113	13.1
122.07130	1.6
123.04414	2.1
123.08025	4.7
123.11676	2.3
125.05949	11.0
125.09628	2.0
127.03903	13.7
127.11132	1.3
128.06175	1.8
129.06952	4.6
130.07748	2.4
130.08612	6.8
131.08543	11.6
131.09448	1.8
133.06456	2.8
133.10100	11.1
135.08015	6.2
135.11649	2.8
136.03903	3.7
137.02335	1.8
137.05966	15.9
137.09589	7.0
139.07529	5.6
141.06953	1.6
142.07738	5.6
143.08522	8.4
145.04916	4.2
145.10100	12.7
147.04356	2.4
147.07994	3.7
147.11659	4.9
149.05992	3.2
149.09579	3.0
149.13271	1.7
151.07507	3.1
151.11177	9.3
153.07011	2.1
153.09125	1.6
155.08527	3.4
156.09346	5.0
157.06380	1.5
157.10100	22.6
158.10788	2.5
159.07994	7.1
159.11687	7.2
161.05957	3.6
161.09622	3.8
161.13287	1.8
163.03917	2.9
165.06931	3.6
165.09079	1.9
166.07704	2.5
167.07040	2.6
167.08490	3.3
168.09322	4.1
169.10100	17.7
170.10791	2.9
171.08041	3.2
171.11649	10.8
172.08818	1.4
173.09615	11.6
173.13211	18.6
174.13702	1.5
175.11131	4.6
177.05414	2.4
177.09120	2.2
178.04984	6.2
180.09344	2.2
181.10109	9.9
182.10904	2.9
183.07959	1.5
183.11711	9.8
183.13249	1.6
185.09596	17.7
185.13158	4.2
187.11145	21.1
187.14764	2.7
189.12697	1.7
191.08102	5.0
193.10095	5.8
194.10844	2.3
195.08044	1.8
195.11710	7.9
196.08809	1.7
196.12547	3.2
197.09554	7.6
197.13210	7.2
199.11186	5.5
201.12727	3.2
205.12175	1.4
206.04462	8.3
208.12500	2.4
209.13136	1.9
211.11198	6.8
211.14775	6.8
213.12708	5.1
213.16359	6.6
215.10641	7.5
220.12395	2.3
223.11266	3.4
223.14796	9.5
223.60016	1.5
225.12770	5.0
225.16335	10.1
227.14236	1.4
235.14754	2.6
235.16856	1.4
237.18492	2.7
238.13684	1.5
240.15021	5.2
241.15829	75.2
243.17397	2.6
253.15831	14.8
259.16867	5.7
271.16885	100.0
272.17258	2.6
289.17969	13.3
300.99194	1.3
307.12680	3.9
330.09848	2.5
433.22354	7.3
451.17188	3.2
451.23117	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	451.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01851	1.3
55.05502	0.9
57.03409	0.7
61.02912	0.6
62.26386	0.4
65.03932	0.5
67.05486	0.8
69.03436	1.9
69.07065	0.9
69.65935	3.3
69.66293	0.5
70.06573	0.7
71.04977	0.5
73.02904	0.4
79.05473	1.3
81.03406	2.0
81.05778	0.4
81.07049	1.6
83.08589	0.5
84.04477	1.4
85.02901	3.8
85.06511	0.7
86.09688	0.5
87.04417	0.5
91.05481	2.6
92.05093	0.3
92.05716	0.4
93.07014	1.4
94.06576	0.6
95.04942	1.1
95.08591	0.9
96.08176	0.8
97.02884	2.0
97.06541	0.8
98.20688	0.7
99.04432	0.7
100.11236	0.7
103.05391	0.3
104.04937	0.5
105.07008	1.3
106.02897	0.8
106.06543	0.9
107.04935	0.7
107.08585	1.1
108.08123	0.5
109.02864	1.6
109.06526	0.8
109.10110	0.7
117.06990	0.4
118.06524	2.4
119.07335	0.3
119.08556	1.0
120.08095	12.6
121.10144	0.5
122.05994	0.7
122.09698	0.5
124.03931	1.5
124.07569	7.5
125.04299	0.9
126.05454	0.5
126.09118	0.7
127.03891	2.1
131.08598	0.5
133.10022	0.3
134.05984	4.3
135.04468	0.4
136.07550	2.3
137.05951	4.2
137.47385	0.3
138.05452	1.1
138.09100	0.7
143.08560	0.4
145.04935	0.6
145.10071	0.7
146.05893	2.4
147.06769	2.6
148.07555	10.2
149.13243	0.4
150.09111	0.9
152.07013	1.2
153.01825	0.8
154.12291	0.9
157.10176	0.3
157.40070	0.4
159.11615	0.4
161.05975	0.6
163.03850	1.4
164.07050	59.3
165.05438	1.3
165.07472	1.1
166.05876	0.7
166.08658	2.4
167.07088	0.5
173.13277	0.4
175.07513	0.4
180.06612	0.4
201.05385	0.4
214.10989	0.9
215.15450	2.1
216.10280	1.9
225.00314	0.4
226.12291	0.7
228.10184	0.5
229.13321	1.0
243.14917	7.3
245.16518	3.3
250.06903	0.4
253.13336	1.4
254.11700	1.1
259.09409	0.5
268.08115	0.4
269.08514	0.5
271.14386	21.7
272.14880	0.6
281.18588	0.7
287.05536	0.4
289.15436	100.0
290.15826	3.1
305.05435	0.5
305.27570	0.4
393.07385	0.3
415.15778	0.8
451.20898	3.2
451.32458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.5
53.03949	0.5
55.02970	1.0
55.05503	3.9
56.96554	0.6
57.03428	0.6
60.05640	11.0
61.02904	1.4
69.03429	2.4
70.06580	2.8
70.33582	0.5
71.04980	0.9
71.78993	0.7
72.08149	28.3
73.02909	0.6
73.06532	2.0
81.03406	1.2
81.04549	0.6
81.07037	1.4
85.02897	4.3
90.79758	0.5
91.05465	2.5
95.06051	1.2
97.02901	1.8
97.07635	7.6
98.06042	8.2
98.97580	1.3
99.00816	2.3
103.03903	0.7
106.02913	0.6
109.02877	0.7
110.02434	2.6
110.03114	0.5
111.00774	0.6
111.05555	5.2
114.10281	21.1
115.08669	5.0
116.03458	1.0
116.07062	0.7
116.98614	0.7
119.04936	8.1
121.02920	0.5
123.04421	0.6
123.05563	3.2
124.03931	2.1
127.03910	5.2
128.03441	1.9
131.04933	2.6
131.12915	29.0
133.06502	2.5
134.99687	0.5
136.03952	0.5
136.07568	0.7
137.05977	1.4
138.05508	3.2
139.00287	1.1
140.08176	1.9
141.06583	7.0
146.05991	1.7
147.04395	76.6
149.05972	1.4
151.07455	0.8
152.06976	2.9
157.06485	2.8
157.10820	1.5
159.04352	0.9
162.52438	0.5
163.03893	1.2
164.07057	0.7
169.09671	1.1
170.08113	7.8
177.05513	3.6
185.06000	2.7
187.03851	1.3
187.07581	0.8
194.09251	0.6
197.91853	0.6
201.02307	1.0
201.05376	0.6
203.07013	0.7
205.04929	1.7
210.07602	1.0
213.05484	2.0
217.13353	6.9
218.11736	8.5
221.12941	1.1
227.10390	0.7
229.05057	0.9
231.06494	0.9
237.02788	0.8
239.13869	2.8
241.15474	1.3
252.09900	0.7
260.13925	3.5
261.79337	0.5
268.08057	0.8
269.08392	1.2
271.16537	9.8
277.16647	5.4
289.17630	2.2
356.10977	0.9
373.13940	2.9
374.12369	6.5
391.14749	1.0
392.13321	0.6
398.13364	0.5
416.14606	4.3
433.17133	8.1
433.21942	1.8
434.15598	1.0
449.32733	0.6
451.18143	100.0
452.11914	1.3
452.18594	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	451.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.96561	4.9
57.62761	0.6
57.65480	0.6
60.05650	0.7
61.02926	1.2
69.03420	5.1
69.87057	4.2
70.06583	0.9
72.08133	2.2
73.02910	1.3
81.03407	1.8
84.96021	0.8
85.02891	8.0
86.09657	0.8
87.04443	0.8
91.05452	0.6
97.02874	3.1
98.06037	1.0
98.20760	0.9
98.97568	10.3
99.04441	0.8
108.21135	0.5
109.02885	1.5
110.97543	0.6
111.05527	0.6
114.09161	1.1
114.10285	1.6
116.98615	6.1
119.04932	1.4
121.06536	1.1
122.03666	0.6
123.04408	0.9
127.03905	7.1
128.98567	1.6
130.08643	1.4
131.12900	1.9
134.99652	4.0
135.04388	0.8
137.05957	1.8
139.03877	0.8
140.07007	1.4
141.06580	0.8
144.16713	0.6
145.04982	1.1
146.08093	0.8
146.99652	1.9
147.03357	1.1
147.04355	4.9
155.04607	1.0
158.99666	3.1
160.00128	0.6
160.09708	0.7
161.01192	1.2
161.02968	0.9
163.02667	1.0
163.03903	2.4
165.00673	1.0
165.04326	0.9
165.05606	0.6
167.06982	1.1
173.02979	0.8
173.06593	0.6
175.02750	0.7
177.00702	5.0
186.04419	0.9
189.00684	2.0
189.04231	1.7
195.01881	0.9
201.00754	0.7
204.05392	1.0
219.01758	2.9
227.06741	0.6
231.05548	0.7
237.00569	1.1
237.02690	7.0
237.04538	0.6
242.55107	0.6
276.69571	0.6
280.06888	0.8
291.07413	1.5
293.10684	1.2
295.10587	1.5
309.08539	4.4
325.10486	1.7
391.02481	2.0
415.09073	1.0
451.04810	100.0
451.17413	4.8
452.05164	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	451.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12187	2.0
77.37867	0.4
80.19390	0.4
81.99646	0.4
83.60124	0.4
86.93731	0.5
93.52379	0.4
114.09165	1.4
160.09700	2.5
364.85403	0.5
391.02481	0.5
450.55838	0.4
451.04800	100.0
452.05112	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12655	0.5
53.92535	0.5
56.96549	4.2
61.48334	0.5
69.03407	0.7
69.54102	2.4
69.54541	2.9
70.98090	0.9
84.08149	0.6
85.02897	1.3
95.06079	0.6
98.97553	3.7
112.99115	0.5
116.98610	2.4
119.01913	0.7
122.45554	0.5
127.03899	0.7
128.98582	1.5
130.08649	1.2
131.00139	0.6
134.99606	0.9
146.99696	1.0
158.99619	1.6
161.01265	0.6
161.02875	0.7
170.05116	0.8
172.97517	0.6
173.01048	0.6
174.99124	1.2
177.00742	1.2
186.99152	0.8
188.97034	0.7
189.00711	0.8
190.98613	1.4
193.00320	0.7
205.00180	1.5
207.01765	0.8
208.99731	0.9
215.07777	0.6
219.01801	0.9
230.98097	0.6
232.99591	1.2
237.02827	1.8
248.99196	1.4
251.08217	0.6
263.00549	1.0
267.00250	0.7
277.05823	0.6
281.01913	1.1
295.07065	2.1
305.01849	0.7
305.10745	1.5
321.10333	0.7
339.09473	0.7
358.99237	0.6
377.00287	1.5
391.02460	1.0
451.04764	100.0
452.04889	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	450.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53077	0.6
52.68155	0.7
53.03931	1.1
55.01854	2.1
55.05496	1.3
57.03436	6.7
58.06594	2.2
61.02917	9.3
65.03925	1.7
69.03423	16.6
69.98239	4.3
70.06577	2.9
71.01330	0.9
71.04980	3.0
72.08147	2.3
73.02898	4.7
77.08543	0.6
81.03407	7.2
81.04559	0.7
81.07034	1.2
84.04475	1.4
84.08125	1.9
85.02893	100.0
85.06498	0.7
86.03242	1.5
86.09684	1.7
87.04451	2.2
89.06020	1.6
90.39996	0.6
91.03945	5.2
91.05467	82.7
92.05804	1.5
95.04958	1.3
96.08135	0.8
97.02879	41.7
98.03191	0.8
99.04435	5.0
101.02370	0.8
103.03927	1.1
107.04951	2.6
109.02876	8.2
114.09151	11.4
115.03928	4.7
116.07050	0.8
117.06988	0.9
119.04923	1.4
121.02916	0.6
121.06462	1.5
123.04366	1.1
124.03954	0.9
124.07589	1.0
125.07092	0.7
127.03899	26.4
128.07095	1.2
130.08644	1.5
137.05946	7.4
143.08087	1.3
145.04938	46.7
146.05260	1.0
147.04379	3.2
151.04039	0.8
157.06506	1.2
161.04463	2.6
161.05853	0.8
163.03926	1.0
163.06009	19.8
165.05521	0.7
167.07043	7.6
171.08096	1.1
174.11275	1.4
175.07576	1.0
177.05458	1.0
180.08601	0.6
205.08618	0.7
217.08583	3.6
235.09613	2.3
249.58911	0.7
253.10745	2.8
259.11188	1.1
268.08298	0.9
271.12158	1.1
287.05463	5.8
288.05768	10.9
288.12167	1.4
289.06387	0.8
289.09335	1.0
295.59470	0.7
325.11374	2.8
432.21466	0.8
450.20758	1.9
450.26978	4.4
451.17505	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01844	1.2
55.05494	0.8
56.96556	1.2
57.03416	1.5
57.33651	0.4
59.05006	0.5
60.05629	1.1
61.02914	0.9
68.05022	1.0
69.03036	0.4
69.03419	8.0
69.07039	0.7
70.06575	1.9
71.04972	1.4
71.72466	0.6
71.72847	0.8
72.08143	3.9
73.02886	0.9
74.06075	0.5
76.77237	0.4
78.03432	1.6
79.38615	0.4
80.04990	1.6
81.03406	12.5
83.04961	0.8
84.04482	0.8
84.08130	0.5
85.02897	8.6
86.06072	1.0
86.09709	0.9
87.04428	0.9
88.03942	0.5
91.03948	0.6
91.05450	0.7
95.01318	3.4
96.04472	1.1
96.08124	0.5
97.02876	8.4
97.07617	0.7
98.06042	0.8
98.97563	1.6
99.04434	3.1
103.03935	0.6
104.36078	0.4
106.02898	9.3
107.04943	0.8
108.04475	3.0
109.02866	5.6
110.06013	0.8
111.04377	0.8
111.05541	1.8
114.09151	2.9
114.10281	2.0
116.07100	0.6
116.98608	2.0
119.04931	0.8
121.06513	0.6
123.04462	0.7
123.05541	1.3
124.03933	26.6
125.04236	0.5
126.05491	1.2
127.03896	4.7
128.98648	0.8
129.05492	0.6
129.10289	0.6
130.08585	0.8
131.05000	0.5
131.12898	4.4
133.02798	0.6
134.99678	0.5
135.04370	0.7
136.03917	100.0
137.04271	1.2
137.05957	2.3
138.05493	1.6
139.03857	0.5
140.07039	0.6
141.06596	2.2
145.04947	1.3
147.04393	4.7
147.05447	0.6
147.29990	0.4
151.07545	2.4
154.04970	38.0
157.06409	0.4
160.09641	0.8
161.01109	0.7
163.03889	2.1
164.07031	0.5
167.07018	14.2
173.70537	0.4
177.00676	0.6
177.05470	0.8
179.07040	0.5
183.08627	0.6
207.06482	1.2
219.01631	0.9
221.12805	0.8
235.05948	0.7
237.02792	1.3
239.13858	0.5
250.07101	2.7
268.08136	15.5
271.16522	3.1
280.08142	13.1
281.08493	0.6
288.10776	1.1
289.17480	0.8
298.09174	22.9
299.09286	0.6
319.06958	0.6
432.18396	0.6
433.16919	0.6
433.22198	0.8
450.15237	3.0
450.20782	0.5
450.25092	0.6
451.04816	0.7
451.12155	0.7
451.17792	4.7
451.22278	0.7
461.58008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73297	1.6
51.18843	1.6
53.03930	5.6
55.01860	5.4
55.05506	26.5
57.03424	15.4
57.07051	2.6
59.04995	1.7
61.02921	4.6
65.03906	3.1
65.05228	1.6
67.05493	49.1
69.03422	13.1
69.07061	23.6
70.71819	1.6
71.04974	7.5
72.08097	1.6
73.02872	2.8
79.05479	42.0
81.03413	23.3
81.07045	82.2
83.04980	11.7
83.08604	18.6
85.02896	22.1
85.06527	6.4
85.54062	1.9
87.04475	2.7
88.96024	1.6
91.05463	42.6
91.06031	2.5
93.07028	36.8
95.04380	3.4
95.04956	39.3
95.08592	48.2
97.02879	9.3
97.06512	6.1
97.10146	14.4
99.04457	3.4
99.08086	2.3
103.05447	2.5
105.07014	50.3
106.07317	1.8
107.04926	14.1
107.08585	36.1
109.02897	2.5
109.06511	12.2
109.10141	19.9
111.04427	3.0
111.08060	6.7
111.11679	2.1
115.05451	2.1
117.06995	15.6
119.04938	3.0
119.08563	38.1
121.06487	16.9
121.10127	24.4
123.08035	8.0
123.11681	12.6
125.05910	3.4
125.09637	9.3
127.03915	5.5
128.06224	3.0
129.06976	14.1
131.04930	3.5
131.08540	25.9
133.06482	4.0
133.10126	18.8
135.08011	10.2
135.11681	14.2
137.05994	2.4
137.09586	3.8
137.13235	1.9
138.68925	2.1
139.03902	2.4
142.07767	3.2
143.08559	15.1
145.04955	3.0
145.06453	5.6
145.10083	25.7
147.08000	6.5
147.11664	26.8
149.09596	5.2
149.13213	5.2
151.07532	3.4
151.11191	2.8
153.05482	3.2
153.09091	2.8
155.08501	4.2
157.10081	14.5
159.08020	3.3
159.11678	15.2
161.09628	4.5
161.13185	10.0
161.14401	1.9
163.07487	3.9
163.11176	8.3
163.14731	2.9
165.05479	10.1
165.12689	8.5
169.10129	7.6
171.06548	2.7
171.08026	4.4
171.11702	7.8
173.09639	2.4
173.13162	9.1
175.11200	6.5
175.14807	8.3
176.91579	2.4
177.09125	2.9
177.12646	2.6
181.10045	3.2
181.12202	1.8
183.11699	3.9
185.13194	9.5
187.11142	3.4
187.14813	9.6
189.09076	1.9
189.11229	6.7
189.12759	3.2
189.16374	4.9
193.12190	12.2
193.15840	1.8
195.11700	2.2
197.13310	4.2
199.14818	5.7
201.12738	4.4
201.16386	6.0
203.14371	4.2
205.08551	12.1
205.12254	3.9
205.15964	5.3
207.11755	2.0
207.13756	2.7
211.14828	2.5
213.16418	4.7
215.14397	2.6
215.17921	3.7
219.13853	3.2
221.11707	6.0
223.09615	16.4
223.13141	2.3
227.12708	4.7
227.17880	2.6
229.19478	11.4
231.13628	2.6
233.15462	2.1
239.16385	5.6
245.15375	1.9
247.16962	2.9
249.14799	2.0
259.17105	3.7
261.11304	2.2
261.14587	2.6
267.15802	9.6
269.22650	14.7
271.24246	3.1
287.05478	19.1
287.16394	7.8
287.23575	9.4
294.09100	1.7
297.21930	1.7
303.04953	5.5
305.17618	2.5
311.23752	3.2
329.24753	5.4
339.23169	15.0
345.20596	9.3
357.24194	53.7
358.24542	1.8
363.21747	2.8
375.25269	14.7
395.25403	2.1
405.26230	3.3
413.26816	6.0
431.27853	59.9
432.28223	3.1
449.28952	100.0
450.29211	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	449.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02546	0.8
56.96303	0.9
56.96558	14.7
57.03402	1.6
58.99834	0.8
61.02911	1.3
65.00319	0.7
69.03419	4.4
69.69373	2.1
69.69782	5.8
70.06581	2.1
70.98110	1.5
71.04979	0.9
73.02896	1.5
74.97578	1.1
77.00877	1.5
81.03391	0.9
82.99853	1.9
84.04474	1.0
84.08112	0.8
84.96027	0.8
85.02892	7.3
86.06056	1.0
86.09689	1.6
87.04434	1.2
88.99142	1.7
90.49730	0.9
91.05482	1.1
97.02892	4.7
97.25617	0.7
98.06016	1.1
98.97566	10.4
101.00852	8.9
105.00348	1.0
106.02910	1.7
107.00233	1.0
107.04942	1.5
109.02843	1.4
113.00851	1.4
113.85909	0.8
114.09135	2.0
115.02419	2.1
115.03931	0.9
115.09458	1.0
116.98597	6.6
119.01062	1.8
119.01904	33.3
119.04915	1.6
124.03945	3.7
125.04254	1.3
127.03898	2.3
128.07089	0.8
128.98587	2.0
129.03911	1.0
130.08650	1.4
130.54869	0.7
131.01883	15.3
131.05556	4.2
133.03499	5.5
134.99626	3.5
135.04361	1.0
137.02919	4.8
137.05933	2.8
139.03880	0.8
140.07036	1.9
140.98560	0.8
143.01881	46.2
144.01999	0.8
145.03467	6.1
145.04987	1.0
146.08107	2.2
146.99605	4.9
147.01379	1.2
147.03285	1.3
147.05107	2.0
149.02956	1.8
149.06578	13.0
155.01869	13.8
155.05652	1.0
156.02647	2.4
157.03429	2.8
158.99649	4.7
159.04980	3.5
161.02937	97.1
162.03113	2.6
163.03957	2.8
164.05128	1.3
165.00673	6.2
167.06987	1.2
169.07053	1.0
171.05034	2.0
172.97592	1.8
173.02948	23.2
173.05136	1.5
173.06564	22.5
175.04483	1.3
177.00731	5.0
177.02205	1.0
177.06070	4.7
179.03900	1.8
179.06956	1.7
183.01680	1.4
184.04559	2.8
185.02966	1.7
185.06554	20.8
186.99078	4.9
187.04454	0.9
187.06639	0.8
187.08104	4.5
189.04355	1.6
189.06042	1.2
190.98607	6.9
191.07610	9.1
197.06607	2.8
199.08080	2.1
201.06000	1.3
203.04027	4.7
203.05659	1.1
203.07616	17.8
205.00163	11.6
205.03848	1.0
208.99693	2.3
209.06595	1.4
214.95367	3.1
215.07622	11.1
217.09244	1.0
218.98079	3.5
219.01671	1.5
219.07112	1.4
221.02945	1.6
221.05034	16.8
223.01295	5.2
223.04704	1.5
227.07513	1.7
230.98087	1.6
232.96388	8.7
232.99725	2.2
233.08649	3.8
236.99138	1.3
237.02750	3.3
244.96419	1.7
247.01273	1.4
248.99037	4.4
250.97467	1.7
251.00728	4.0
257.08652	3.3
258.97925	0.9
268.07877	1.0
269.08350	1.5
274.97507	1.3
275.09732	26.1
286.97299	1.2
287.06061	0.9
293.10767	100.0
294.11029	4.0
309.08435	3.7
316.12460	3.2
317.01810	2.3
323.08841	0.9
334.99210	1.2
345.01361	1.7
361.00717	1.8
387.11295	2.0
389.00256	8.3
389.04633	1.4
405.12329	2.8
407.05362	5.1
425.06210	1.3
431.10321	32.5
449.11310	41.6
449.21564	4.0
450.11612	2.2
464.66766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
52.89783	0.3
53.03930	0.4
53.79515	0.2
55.01859	0.5
55.05485	0.4
57.03424	3.2
61.02895	0.4
64.59897	0.3
65.03925	0.3
67.05483	0.5
68.99773	0.5
69.03410	0.7
69.07050	0.2
70.06590	0.5
71.04983	26.3
71.79414	0.6
72.08132	0.7
73.02911	0.5
75.04458	1.1
79.05481	0.5
81.03397	0.6
81.07047	0.4
83.04942	0.5
85.02892	25.2
87.04449	0.4
91.05450	0.6
93.07015	0.4
94.06525	0.3
95.04949	0.4
97.02895	0.4
100.17504	0.3
105.07047	0.3
106.02930	0.6
107.04937	0.3
107.08533	0.4
109.02879	0.6
111.00778	0.9
111.04403	0.3
114.10310	0.3
119.08573	0.3
120.08092	0.5
121.02847	1.0
121.10120	0.4
122.06017	0.9
123.04390	0.3
124.03967	0.7
124.07590	0.4
125.04246	0.4
129.05466	6.2
131.04878	0.3
135.04323	0.3
136.07552	4.2
137.02313	4.1
137.05919	0.5
140.96806	0.2
145.02820	0.3
145.06465	0.4
147.04370	0.5
147.06493	1.1
147.07996	0.3
149.02313	0.6
152.07025	0.7
153.01811	3.6
161.05954	0.6
161.62378	0.3
163.03917	1.2
164.04204	0.4
164.07048	3.9
165.01807	1.9
165.05484	0.4
166.08656	0.7
173.06013	0.5
177.05443	0.4
179.03241	0.3
182.08093	0.5
183.02859	0.8
183.04330	0.4
187.03804	0.3
201.05431	1.2
207.02861	0.3
216.01109	0.5
223.09637	0.3
229.04945	4.2
238.45816	0.3
247.06001	0.5
257.04428	2.7
263.47897	0.3
268.08096	0.4
269.15491	0.4
274.04657	1.1
285.04028	1.4
287.05380	1.9
287.10422	0.3
287.13681	1.4
303.04950	100.0
304.05273	2.3
315.04764	0.5
319.03781	0.3
345.06061	1.0
413.08569	0.4
430.46313	0.3
449.10455	0.9
449.15619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99236	0.1
53.03923	0.4
54.04932	0.1
55.01849	0.4
57.03426	0.8
61.02648	0.1
61.02920	1.6
65.03936	0.2
67.01854	0.1
68.99785	0.5
69.03419	3.2
71.04970	0.5
73.02905	0.5
73.38500	0.1
79.05473	0.1
81.02983	0.2
81.03405	1.5
83.01320	0.2
85.02893	9.6
85.09281	0.1
87.04434	0.4
91.03956	0.6
91.33864	0.1
95.04921	0.2
97.02876	3.3
99.04429	0.5
100.36653	0.1
103.05444	0.1
105.03378	0.3
106.18201	0.1
107.04963	0.4
109.02872	1.2
111.00768	0.8
111.04400	0.1
117.07010	0.1
121.02850	2.8
127.03014	0.1
127.03914	2.2
133.02809	0.5
135.68095	0.1
137.02299	0.9
141.06973	0.1
145.04921	1.5
145.06383	0.3
147.04408	0.6
153.01807	4.2
154.02115	0.1
157.06459	0.4
161.06024	0.1
165.01788	1.6
168.30464	0.1
171.04355	0.3
175.03915	0.2
183.02859	0.9
185.05939	0.6
189.05225	0.1
200.07712	0.1
203.03346	0.2
203.06981	0.2
213.05426	1.3
229.05046	0.1
231.06465	0.7
241.04915	1.0
258.05200	1.4
259.06015	0.5
269.04358	0.2
286.22852	0.1
287.05457	100.0
288.05777	3.1
329.06525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.00544	0.1
53.03929	0.5
55.01853	0.6
57.03424	1.0
59.04987	0.2
61.02920	1.3
63.78270	0.1
66.26206	0.2
68.99770	0.6
69.03415	3.8
70.95811	0.5
71.04975	1.7
73.02879	0.4
81.03404	1.8
85.02891	10.7
87.04434	0.4
91.03918	0.6
93.04618	0.2
97.02875	3.1
99.04404	0.5
105.03378	0.4
107.04945	0.4
109.02850	1.0
111.00793	0.8
115.75571	0.2
118.85399	0.2
121.02843	2.5
127.03893	1.6
129.05432	0.4
133.02802	0.3
135.04343	0.3
137.02312	1.5
141.06969	0.2
145.04935	1.6
145.06415	0.2
147.04413	0.5
153.01804	4.3
157.06490	0.4
161.06042	0.2
165.01816	1.9
171.04433	0.3
177.09094	0.2
183.02884	1.0
185.05931	0.6
193.08617	0.2
197.05899	0.2
201.05440	0.3
203.07077	0.2
213.05420	1.3
231.06529	0.6
238.21313	0.2
241.04921	1.0
257.04376	0.3
258.05225	1.1
259.06036	0.4
269.04312	0.3
272.76382	0.2
287.05444	100.0
288.05777	3.2
299.05496	0.3
300.30481	0.2
303.04919	4.8
304.05396	0.3
315.04932	1.4
327.04971	0.4
341.06424	0.3
345.06036	2.0
369.05905	0.7
395.07584	0.6
413.08624	1.5
431.09589	0.8
449.10840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03935	0.3
55.01871	0.2
56.58603	0.1
57.03437	0.5
61.02921	6.2
67.01866	0.1
68.99791	0.5
69.03419	0.9
70.31667	0.4
71.01340	0.1
73.02914	1.6
79.05486	0.1
81.03403	0.5
83.01302	0.1
85.02897	5.7
91.03947	3.3
91.04376	0.1
95.04948	0.2
97.02886	3.2
99.04436	0.3
103.39825	0.1
105.03397	0.4
106.90982	0.1
107.04929	0.5
109.02851	0.5
111.00798	0.8
111.04454	0.2
115.03919	0.3
117.05480	0.1
121.02853	2.8
121.03754	0.1
123.04429	0.1
124.03875	0.1
127.03907	1.1
129.07021	0.1
133.02832	0.5
135.04411	0.1
137.02348	1.0
145.04950	0.6
145.06444	0.3
147.04344	0.6
153.01808	3.8
157.06470	0.5
161.05971	0.1
165.01822	1.8
166.02544	0.1
171.02843	0.1
171.04355	0.2
183.02882	0.9
185.05980	0.5
186.24467	0.1
189.05411	0.1
197.05962	0.2
199.03757	0.1
203.07037	0.2
213.05469	1.2
216.04243	0.1
223.32112	0.1
229.04901	0.1
231.06473	0.6
241.04929	0.9
256.76849	0.1
258.05237	1.2
259.06033	0.5
269.04459	0.3
286.04752	0.1
287.05469	100.0
288.05820	3.8
299.05484	0.5
325.07019	0.2
329.06464	0.4
353.06531	0.4
395.07446	0.2
431.09650	0.1
449.10867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01863	1.2
55.05492	1.3
56.96558	4.0
57.03417	2.5
58.88063	0.8
59.04992	1.2
61.02905	1.9
61.71250	0.8
67.05477	0.9
69.03426	10.5
69.07060	0.9
70.06576	3.6
71.04974	1.8
71.79082	1.0
72.08138	2.3
73.02896	1.7
74.06062	1.3
78.03442	2.4
79.05477	1.9
80.05001	1.4
81.03403	7.2
82.06549	0.9
83.04964	2.0
83.06081	1.1
84.04479	3.3
84.08146	2.5
85.02895	14.5
86.03208	1.0
86.06038	0.7
86.09685	2.6
87.04474	0.8
88.03960	1.8
88.12363	0.8
91.05415	1.6
93.07040	1.8
94.06537	1.1
95.04926	1.2
96.04458	2.4
96.08142	1.7
97.02895	7.3
98.06049	2.0
98.97578	3.8
99.04425	2.1
103.03960	1.0
103.05466	5.9
106.02910	17.9
107.04945	18.8
108.05206	0.8
108.08112	1.9
109.02854	5.3
110.07156	1.9
111.04412	1.3
112.07580	2.6
112.08669	1.1
113.05920	0.8
114.09167	5.8
115.05457	1.9
116.07010	1.2
116.98614	2.5
119.04921	1.0
120.08092	100.0
121.02872	1.6
121.06593	1.0
121.07742	0.9
121.08510	6.3
122.05999	1.1
124.03937	42.2
124.07561	1.2
125.04260	1.7
126.05499	1.1
127.03886	6.4
128.98589	1.0
130.04953	1.0
130.08626	10.8
131.04907	3.2
134.06047	0.9
134.99649	1.5
135.04381	1.4
136.03911	1.9
137.05954	3.6
138.05432	1.5
139.03947	1.6
140.07021	5.9
143.04909	2.1
145.04961	2.5
145.06413	1.8
146.99635	1.8
147.04359	1.1
149.05949	2.5
151.07559	1.7
152.07051	1.7
154.04880	0.9
155.08530	7.5
158.99605	1.7
160.05290	0.9
161.01170	1.4
163.03873	5.8
163.07690	0.9
164.04181	1.4
165.00688	0.8
165.05524	1.3
166.08618	59.5
167.06981	2.1
167.08984	2.7
170.97131	0.8
172.08797	10.0
175.07527	4.0
177.00677	2.0
181.04890	0.9
184.08817	1.1
186.93250	1.0
187.11163	14.0
195.01657	1.0
200.08310	5.2
209.09692	1.9
215.10661	2.4
219.01782	1.9
232.06081	1.5
237.02763	2.8
237.09048	3.2
244.13382	4.2
246.14531	1.3
250.07079	8.0
259.11932	2.8
268.08136	22.2
269.08722	1.3
269.11710	7.6
286.09335	12.2
286.12271	1.2
286.14255	3.8
300.15756	1.3
302.12524	1.0
309.08170	1.1
319.07361	0.9
325.09949	0.9
328.19904	2.6
403.17581	1.2
430.13269	1.9
430.18564	2.9
448.19531	46.0
449.14182	1.7
449.20020	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	448.1958
Annotation	Naamidine G
Peak:m/z	Relative Intensity
50.98205	0.4
53.03929	1.0
55.01853	0.8
57.03419	0.8
61.02918	1.3
68.02216	0.5
69.03428	5.1
70.02393	1.6
70.02807	0.8
70.06573	1.0
71.03294	0.5
71.04964	0.7
79.05515	0.6
81.03387	1.8
84.08078	0.5
85.02888	6.4
86.09695	1.4
87.04434	0.6
91.03924	0.8
91.05457	0.7
95.04961	1.7
96.08109	4.1
97.02869	3.1
99.04424	0.7
103.05479	0.5
107.04932	77.1
108.05276	0.9
109.02855	1.3
111.10434	1.7
114.09148	0.8
115.03888	0.5
115.05424	4.0
117.06990	1.7
119.04945	1.0
121.06468	2.4
122.03627	0.6
127.03896	1.4
131.04915	2.3
132.04459	0.6
133.06477	0.5
137.05949	9.3
143.04901	10.0
144.05649	0.6
145.06458	8.3
151.07527	2.0
155.05954	0.7
155.08508	1.8
160.05179	3.7
163.03925	0.7
163.06335	0.6
163.07494	2.5
165.06995	0.5
172.08783	2.8
175.07507	18.3
178.08624	3.8
179.07074	0.5
179.08609	0.6
181.10181	0.9
187.11098	3.2
189.21510	0.5
191.08545	2.1
194.07268	2.2
195.08014	0.9
200.08260	1.1
209.09608	7.3
215.10713	0.6
219.08055	1.8
223.07597	0.7
232.13286	0.6
237.09059	11.6
238.09770	0.6
244.13280	1.2
254.09322	1.6
259.11957	1.4
269.11691	34.3
270.12164	0.9
286.14334	17.7
287.14594	0.5
302.12576	0.7
307.16449	0.6
384.51111	0.5
420.24881	1.9
430.18448	0.7
431.17007	0.7
448.19574	100.0
449.20062	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	448.1959
Annotation	Naamidine G
Peak:m/z	Relative Intensity
53.03936	0.6
57.03431	0.5
60.08429	0.4
61.02917	0.9
69.03415	2.0
69.97102	2.7
70.06580	0.5
73.02905	0.5
79.05470	1.1
81.03412	1.2
83.69670	0.4
85.02892	4.4
91.05454	1.4
95.04942	1.1
97.02873	2.2
103.05450	0.9
107.04940	85.3
108.05268	1.1
109.02848	0.7
114.99764	0.4
115.05438	8.7
117.06988	1.0
119.04967	0.7
121.02896	0.9
121.06481	4.5
127.03883	0.6
127.66582	0.5
131.04898	1.7
135.04453	0.4
137.05966	10.9
137.34438	0.4
143.04900	17.2
145.06473	10.1
147.04364	0.9
147.08109	0.7
149.05899	0.6
151.07562	0.7
160.05208	0.8
161.05931	0.6
163.03859	2.6
163.06271	0.7
163.07568	1.3
163.59348	0.4
168.78796	0.4
175.07523	9.5
177.05371	0.6
178.08607	7.3
181.06482	0.9
187.11163	0.6
191.08563	1.5
192.42650	0.5
194.07269	1.7
195.08072	0.7
208.38600	0.5
209.09561	8.0
211.11195	0.5
219.07997	1.5
237.09061	8.0
239.07126	1.0
240.07726	0.5
245.38602	0.6
251.10909	0.8
254.09267	1.0
269.11700	28.9
270.11966	0.6
277.46448	0.5
284.12820	1.6
286.14337	39.8
287.14639	1.3
448.19626	100.0
449.19949	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	447.3829
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
54.98871	2.5
55.05499	38.8
57.07064	60.8
67.05504	5.2
69.07057	93.6
71.08620	52.9
80.76391	3.3
81.07055	15.6
83.08603	68.3
85.10162	34.3
91.29424	3.0
93.07033	4.0
95.08598	12.2
97.10163	59.0
99.11695	4.7
105.06985	3.7
107.08588	13.4
108.78414	2.8
109.10155	7.4
111.08136	4.7
111.11703	40.7
121.06521	6.6
123.08056	5.0
123.11704	3.3
125.13279	18.4
131.08569	3.4
135.08052	19.4
137.09575	9.7
139.07515	20.4
139.14764	4.8
149.02350	4.7
149.09584	9.3
151.07547	13.3
153.09099	11.6
157.10072	3.1
163.07570	5.5
163.11165	9.3
165.07727	3.7
165.09108	76.8
166.06152	4.4
167.06978	3.9
169.08604	10.4
169.10059	3.6
173.09613	5.4
177.09094	12.2
179.10683	4.8
181.08537	22.5
191.10645	12.2
205.12213	13.8
229.85257	3.8
243.77402	3.1
351.83075	3.5
370.24921	3.3
429.37204	28.6
447.38263	100.0
448.38171	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	448.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01863	5.9
55.05495	1.4
56.86797	0.7
57.03419	2.5
60.04511	0.7
61.02892	1.5
65.03921	1.0
69.03078	1.3
69.03420	12.2
69.07059	0.8
70.06594	5.6
71.04971	3.0
71.78459	0.8
72.08135	2.4
73.02905	3.1
78.03431	7.3
79.05508	0.9
80.05014	1.6
81.03409	15.7
84.08120	1.4
85.02384	0.9
85.02892	16.4
86.06026	0.9
86.09683	2.0
87.04510	0.8
94.06554	0.7
95.04965	0.8
96.04488	4.1
96.08132	1.0
97.02878	15.8
99.04444	20.1
106.02902	40.4
106.06538	1.4
107.04943	14.0
108.08097	2.2
109.02148	1.6
109.02864	23.1
114.09151	9.8
115.03902	1.8
116.07088	4.4
119.04964	1.2
123.04452	1.0
124.03934	100.0
124.07563	2.5
125.04284	0.9
127.03896	39.8
128.04263	0.8
129.10179	0.9
130.08672	3.9
136.03908	2.3
137.05949	2.4
138.05557	0.9
143.04895	2.3
145.04959	6.2
145.06482	1.8
147.04399	0.9
149.02341	1.5
152.07048	3.0
155.08530	6.5
160.05220	0.9
163.03867	4.0
163.07520	0.8
164.04237	1.0
165.05464	1.0
167.06984	1.5
170.08162	1.3
172.08812	9.9
175.07507	3.4
177.00659	1.0
177.05435	1.0
182.07309	0.8
187.11156	13.0
189.05417	0.9
197.09644	1.0
200.08315	3.8
209.09563	2.1
215.10577	2.0
219.01753	0.9
227.10765	1.1
232.05981	1.0
237.02760	1.1
237.09158	2.3
244.13284	4.4
250.04555	1.5
250.07080	20.8
259.11838	2.0
268.08127	42.2
269.11749	5.5
286.09192	42.1
286.13870	3.6
287.05621	0.8
362.02652	1.4
394.11407	2.2
412.12140	1.7
412.17224	0.9
430.13428	2.7
430.18600	2.0
448.19513	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	447.2738
Annotation	CJ 13103
Peak:m/z	Relative Intensity
53.03929	3.8
55.01868	4.8
55.05506	17.7
57.03438	6.1
57.07065	1.3
65.03936	1.9
65.54747	0.9
67.05496	32.8
69.03420	3.4
69.07056	10.8
71.01325	1.5
71.04966	2.7
74.08147	1.0
77.48550	0.9
79.05482	32.8
81.03408	35.1
81.07049	25.1
82.96685	1.1
83.04958	6.0
83.08601	11.2
85.06533	2.0
85.10242	0.9
86.51174	1.0
91.05469	28.5
93.07027	31.6
95.04962	24.5
95.08600	14.1
97.02896	2.0
97.06525	5.9
97.10159	11.5
99.04462	1.1
99.08079	1.6
99.71655	0.9
103.05445	1.8
105.07021	20.6
107.04939	7.6
107.08578	19.0
109.06506	5.0
109.10144	6.7
111.08079	5.6
115.05419	2.0
117.07002	9.6
119.04905	1.4
119.08571	14.2
121.06483	11.6
121.10139	9.7
123.08045	4.2
125.09622	5.8
128.06195	3.2
129.06976	10.6
131.04900	3.1
131.08545	11.5
133.06471	6.8
133.10106	6.2
135.08046	3.7
135.11690	19.5
136.77110	1.1
137.09575	2.8
141.06985	5.1
142.07756	1.6
143.08556	6.9
145.06482	9.6
145.10115	12.0
147.08020	7.6
147.11655	4.0
149.02342	1.5
149.09572	5.6
151.03874	1.1
153.12764	1.1
155.08585	3.9
157.06485	1.7
157.10095	8.2
159.08043	3.4
159.11661	4.8
161.09587	2.6
163.11172	8.5
164.26231	1.1
165.05431	1.0
167.08600	2.5
169.10118	3.6
171.08043	2.3
171.11635	2.9
173.09702	1.5
173.13228	1.8
175.11171	4.9
175.14812	1.3
177.12759	1.7
179.08556	1.6
181.10106	1.6
181.12144	2.3
183.11682	5.1
185.09625	1.2
185.13196	5.9
187.11186	3.1
189.11235	4.2
193.12221	11.9
195.11668	1.5
197.13164	1.8
199.11165	1.1
201.12715	2.0
203.10625	1.8
203.14343	3.3
205.12122	2.3
209.13310	1.5
213.12752	2.9
219.10081	1.2
223.13095	1.1
227.12611	2.3
229.12282	1.6
229.50883	1.5
231.13759	2.3
239.14249	1.3
249.14893	2.7
257.15247	2.4
261.14874	2.8
265.15912	1.1
267.15918	2.0
287.16489	1.4
319.20587	2.1
324.78610	1.1
327.23239	2.4
329.21060	4.7
337.21686	7.0
347.22141	1.3
355.22672	22.7
355.26761	2.1
373.23746	7.1
391.24832	1.6
403.24701	5.9
411.25128	2.0
429.26331	21.4
430.26572	1.3
447.27365	100.0
448.27914	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	447.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.9
55.05504	26.1
57.03428	36.3
57.07059	9.7
67.05490	13.7
69.07057	27.7
70.14728	1.8
70.15146	3.7
71.04964	1.1
71.08633	5.1
71.08962	0.9
73.02932	0.9
79.05484	8.7
81.07042	17.0
82.00013	0.9
83.08153	1.7
83.08608	21.4
85.06581	0.8
85.10149	1.1
85.62475	0.9
91.05490	4.9
93.07037	11.1
93.54347	0.9
95.08595	10.4
97.06502	2.8
97.10151	12.4
98.97803	2.4
98.98451	47.3
105.07011	4.1
107.08593	8.5
109.10151	5.0
111.08071	1.5
111.11707	3.0
112.99997	25.3
116.99460	1.6
117.06951	0.9
118.34833	0.9
119.08559	2.5
121.10137	7.2
123.11690	4.5
131.08516	2.7
133.10063	3.2
135.11662	6.5
136.99973	46.7
137.13272	1.3
145.10045	1.5
147.11696	2.3
148.55069	0.8
149.02220	1.0
149.13234	3.8
155.01027	37.8
159.11652	1.7
161.13303	1.4
163.14772	1.5
169.02594	17.8
178.02621	1.5
187.03624	1.9
193.02608	8.5
211.03653	6.5
219.21001	1.6
237.22142	9.1
243.21049	2.5
243.58772	1.0
261.22083	7.0
262.22482	1.3
311.25772	40.9
317.24896	1.9
335.25763	11.9
385.38788	1.3
447.24979	100.0
447.42023	6.9
448.25638	4.5
462.68954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01870	2.4
55.05505	14.7
57.03428	16.2
57.07056	4.4
67.05492	38.3
69.03405	1.1
69.07056	16.4
69.70398	5.4
69.70825	3.4
71.04980	2.7
75.08000	1.0
79.05480	20.0
81.07043	42.2
82.07367	1.8
83.04978	2.3
83.08617	9.8
85.06519	2.2
89.42410	1.0
91.05465	11.1
92.87525	1.1
93.07027	25.5
95.04958	2.5
95.08594	33.5
97.06522	2.2
97.10168	4.9
97.72449	1.1
98.90499	1.1
98.98445	9.6
105.03372	2.3
105.07024	10.6
107.08582	18.7
109.06507	1.3
109.10136	13.2
111.08158	1.1
112.99998	58.3
114.57330	1.0
117.07008	4.6
117.45744	1.1
119.08580	7.2
121.06541	1.2
121.10126	11.1
123.08035	1.7
123.11681	5.0
131.08540	7.7
133.10095	5.8
135.08067	1.5
135.11673	8.1
136.99953	7.2
137.09663	1.6
137.13217	1.4
145.10101	6.0
147.11665	4.7
149.06041	1.1
149.09604	2.0
149.13217	4.4
155.01015	8.8
157.10187	1.3
159.07933	1.4
159.11655	4.1
161.13226	3.1
163.14816	3.0
164.99585	1.1
165.05472	4.0
169.02591	19.8
173.13248	2.9
177.09158	1.6
179.03389	2.1
187.03630	6.9
187.14810	1.9
190.63277	1.2
193.02644	1.7
203.14336	1.7
205.08543	6.7
215.17818	1.4
219.10240	5.2
223.09610	9.2
237.11140	3.7
237.22211	1.4
238.11484	1.7
243.21059	7.3
257.07993	3.5
261.22119	14.0
271.13287	1.4
289.14178	3.7
294.63162	1.3
307.15445	7.4
311.25723	6.2
317.24796	6.8
335.25763	100.0
336.26166	3.6
343.18936	2.7
391.18668	1.4
429.26511	7.2
447.24884	17.4
447.31238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60024	0.3
55.05497	0.7
57.03435	0.4
60.04504	0.3
66.80753	0.3
67.05477	0.4
69.03411	1.4
70.06569	0.9
70.97223	0.9
71.04955	0.5
72.08141	3.4
74.06055	0.4
79.05464	0.8
81.03416	2.5
84.04504	0.7
84.08120	0.4
85.02889	2.5
86.09687	3.2
89.03893	4.2
91.05797	0.5
95.04948	0.6
97.02865	0.7
99.04475	0.6
107.04939	4.7
109.02847	1.8
109.58692	0.3
114.05486	0.5
114.09151	1.0
115.05337	0.4
117.03355	5.1
119.04967	0.5
120.08079	0.4
121.02840	0.8
121.06415	0.4
122.06042	0.4
123.04405	0.6
127.03896	0.8
130.08669	0.3
135.04391	14.3
136.04800	0.5
136.07500	0.7
137.05962	0.8
143.04918	0.4
145.02824	9.2
145.04787	0.3
145.06522	0.4
147.04388	0.9
149.02336	0.4
150.05368	0.3
151.03773	0.4
152.07033	0.7
155.08539	0.6
161.05942	0.6
163.03877	100.0
164.04190	1.6
164.07108	0.5
167.05565	0.4
167.07010	0.5
172.08813	1.0
173.12823	1.2
175.07509	0.7
178.08676	0.4
181.04956	2.4
187.11067	1.7
200.08322	0.4
201.12325	0.8
203.07069	0.5
209.09286	0.3
215.03406	0.3
215.10580	0.5
220.09756	0.4
233.14941	0.4
247.12885	1.1
269.11639	0.7
271.06076	0.5
286.14349	0.8
286.85715	0.3
299.05481	0.8
307.07993	2.9
325.09119	4.2
327.04901	3.7
348.15448	1.0
359.02524	0.3
361.02594	0.6
405.09973	0.3
447.10510	0.7
447.17038	0.5
447.23315	0.6
448.19626	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	445.3672
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03940	1.4
55.01860	1.4
55.05504	7.0
57.03423	1.1
57.07060	2.3
67.05497	8.9
69.03402	1.7
69.07059	17.9
71.04981	1.4
71.79651	0.9
79.05479	7.5
81.03405	1.9
81.07046	20.1
83.04959	2.2
83.08593	6.0
85.06517	2.3
91.05449	11.0
93.07027	23.9
95.04952	1.1
95.08592	28.9
96.08897	0.9
97.02875	1.6
97.06521	3.3
97.10158	7.3
105.07021	17.1
106.07379	0.9
107.08578	39.7
108.08965	1.0
109.06500	1.1
109.10142	20.0
111.08058	1.6
111.11672	1.2
113.09616	0.9
117.06985	2.4
118.60526	0.8
119.08559	21.1
120.08908	1.0
121.06441	1.0
121.10129	27.9
122.10483	1.0
123.08023	2.6
123.11694	6.5
125.09614	3.0
127.03888	1.0
129.06949	1.3
131.08551	6.4
133.10106	16.9
135.08069	1.3
135.11670	22.1
137.09518	1.5
137.13261	1.5
137.94818	0.8
139.11156	7.4
143.08537	3.4
144.09370	0.8
144.34566	0.9
145.10109	13.8
147.11670	12.3
149.09636	1.0
149.13248	6.4
151.03200	0.9
153.09077	0.8
153.12717	4.8
155.08569	1.2
157.10094	4.5
158.10808	1.2
159.11676	18.1
161.09528	0.8
161.13243	10.3
163.11250	1.9
163.14804	25.9
163.16174	1.4
164.15157	1.4
165.05466	2.9
165.09143	1.2
165.16408	1.1
169.10060	1.6
171.11650	3.2
173.13251	7.2
175.14799	6.1
176.15147	1.2
177.16313	4.1
179.14276	2.1
181.15855	22.3
182.47203	0.8
183.11650	1.9
185.13199	3.5
187.14790	12.5
189.16399	4.4
191.10674	0.9
191.14336	2.2
191.17911	6.4
197.13237	2.3
199.14868	1.9
201.16362	31.4
202.16682	1.6
203.17931	29.4
204.18265	1.6
205.15819	1.9
207.17329	1.0
211.14676	1.6
213.16371	5.1
215.17932	4.4
219.10153	2.8
219.17424	39.9
220.17656	1.5
221.11589	1.0
221.18929	1.5
225.16371	1.8
227.12753	1.6
227.17889	7.7
229.19537	3.7
232.10774	0.9
237.11247	2.3
237.18468	19.3
239.17947	1.7
241.19548	2.2
243.20940	1.0
247.20523	3.6
253.19633	2.5
255.21141	1.1
263.20053	0.8
265.21689	1.3
267.20993	2.7
271.24692	0.8
281.22559	3.0
283.24213	3.7
287.16315	3.1
313.25192	0.9
359.02985	1.0
359.21997	2.3
362.90729	0.8
389.13434	0.8
391.33453	13.0
409.34610	100.0
410.34976	9.7
427.35672	23.6
427.41196	1.7
428.35947	3.2
428.41092	0.9
445.20288	2.4
445.29669	4.5
445.36627	21.7
446.30539	1.1
446.36911	2.8
458.48029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.5
57.07054	1.0
67.05496	4.1
69.07055	2.8
71.04974	0.4
71.79758	0.3
79.05450	0.8
81.07043	3.8
83.04953	0.5
83.08594	0.9
91.05447	0.9
93.07038	1.3
95.04942	0.3
95.08590	2.7
96.08872	0.3
97.10164	0.9
105.07051	0.6
107.08586	1.6
109.06462	0.4
109.10151	4.7
111.11668	0.4
112.99846	0.3
119.08577	2.9
121.06507	0.4
121.10101	0.6
122.07291	1.9
123.08064	0.5
123.10886	0.3
123.11674	1.5
133.10110	0.6
135.08003	0.4
135.11659	0.7
137.09595	9.7
138.09933	0.5
145.10109	0.3
147.07970	0.3
147.11685	0.3
149.09625	0.5
153.09122	0.3
163.11218	0.3
165.05473	2.0
165.09091	100.0
166.09410	3.1
166.10669	0.3
173.09525	0.5
177.09065	0.6
191.10597	0.5
205.08572	0.3
219.10083	1.5
220.18727	0.3
221.11693	1.0
232.12463	0.3
237.11151	2.6
287.16415	1.9
289.14175	0.3
291.83746	0.3
305.17606	0.4
359.22144	2.4
377.23309	0.5
427.24655	0.3
427.35587	0.8
445.20163	0.5
445.36053	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	445.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.0
57.07045	0.7
58.05621	0.2
66.42817	0.2
66.84946	0.2
67.05476	0.6
69.07063	3.0
71.08602	0.3
81.07019	1.1
83.08612	1.5
93.07045	0.4
94.08628	0.2
95.08575	0.9
97.10114	0.7
107.08566	0.4
109.10101	0.4
111.11671	0.5
121.06517	0.3
123.11676	0.4
124.74902	0.2
131.08525	0.3
133.10039	0.2
135.08072	0.2
135.11600	0.3
136.08791	0.2
137.09566	0.7
139.07506	0.3
147.11681	0.2
149.09583	1.3
149.47537	0.2
163.11128	0.7
164.08333	0.3
165.09088	11.5
173.09380	0.2
175.11172	0.2
177.09062	1.0
189.09125	0.4
191.10532	0.8
203.10574	0.8
203.14258	0.3
205.12233	1.3
219.13799	0.3
221.10640	0.2
231.13739	0.4
288.11588	0.2
308.11694	0.3
310.13351	0.2
320.11856	0.3
345.27692	0.4
346.13113	0.3
347.13571	0.3
358.12140	0.2
359.13071	0.4
360.14813	0.5
361.15079	0.2
370.13245	0.2
371.12921	0.7
372.13577	1.3
373.14328	1.8
374.15231	0.9
375.16205	0.4
376.17401	0.3
384.14880	0.6
385.14499	0.9
386.15347	1.7
387.16006	6.0
388.16721	1.9
389.17712	1.4
399.16406	0.3
400.12405	0.5
400.16794	0.7
401.13480	1.2
401.18051	4.1
402.18506	3.0
403.19089	2.5
414.14557	1.2
415.15094	7.8
416.15250	3.4
416.19980	1.3
417.16354	1.8
417.20557	3.3
418.21396	1.7
427.35669	2.3
428.36203	0.9
429.16742	5.2
430.17554	11.4
431.18195	5.0
444.18854	1.1
445.19925	100.0
446.20572	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
53.03944	1.7
55.01862	1.9
55.05230	0.5
55.05500	9.9
55.10913	0.4
57.03427	2.0
57.07053	1.2
62.52532	0.5
65.03925	1.7
67.05492	28.5
69.03423	1.2
69.07056	10.3
71.04968	2.7
71.79543	0.7
71.79943	0.8
73.06532	0.5
77.03880	0.5
79.05479	23.1
81.03400	1.4
81.07044	26.3
83.04945	2.4
83.08609	5.0
85.02887	0.6
85.06520	1.8
86.12613	0.5
91.05461	33.2
93.07028	22.6
93.07635	0.5
95.04964	5.0
95.07986	0.9
95.08592	16.1
95.09185	0.9
97.06499	3.4
97.10142	2.7
99.08058	0.7
103.05449	1.6
105.03354	0.8
105.04527	0.6
105.07012	30.3
107.04955	3.2
107.08576	11.1
109.06505	3.6
109.10143	6.6
111.08064	1.1
115.05437	1.6
116.06222	0.8
117.06999	14.6
119.08561	18.8
121.06490	2.8
121.10133	8.1
123.08061	2.1
123.11683	1.4
125.09586	1.1
128.06206	3.0
129.06985	10.9
129.07947	0.7
131.08548	23.3
133.06496	2.2
133.10098	10.3
135.08011	2.3
135.11688	4.8
137.09619	1.9
139.11111	0.5
141.06966	4.3
142.07745	1.3
143.08533	11.4
145.06476	1.7
145.08958	0.8
145.10097	15.7
147.08043	2.3
147.11676	5.0
149.09578	2.5
149.13268	1.2
151.11081	0.5
153.05597	0.5
153.06938	0.7
154.07765	0.7
155.08522	5.0
155.24435	0.5
156.09331	1.0
157.06517	0.9
157.10097	6.8
159.08009	1.3
159.11676	8.0
160.12010	0.5
161.09608	1.3
161.13181	2.4
163.07509	0.7
163.11174	1.4
165.05482	0.7
165.06873	0.6
165.09105	1.4
167.05551	0.7
167.08585	2.0
169.10095	4.7
171.08107	0.8
171.11676	5.7
173.09586	1.5
173.13232	3.8
175.11166	1.2
175.14772	1.2
177.12720	1.0
181.10136	1.8
183.11658	3.3
185.09668	0.6
185.13231	4.1
187.11227	0.9
187.14780	2.3
189.16357	0.8
191.08562	0.5
193.12195	0.5
195.11671	2.5
197.13206	3.1
199.11122	1.0
199.14812	2.1
201.12677	1.3
201.16362	0.6
203.14368	0.6
205.12210	0.5
205.15784	0.6
209.13278	2.6
211.14854	2.9
213.16397	0.7
214.64270	0.5
215.14333	1.3
217.15839	0.7
219.10101	1.1
219.13734	0.8
221.13329	0.7
221.15474	0.5
223.14790	1.6
225.16306	1.3
227.14330	1.1
231.13754	0.7
233.15379	1.3
235.14709	0.9
237.11046	0.7
237.16322	1.0
241.16025	0.7
243.17363	0.7
245.15234	0.9
247.17033	1.7
255.17520	1.3
259.16983	1.6
259.20654	0.9
261.18478	1.4
269.19046	0.7
271.16937	1.0
273.18594	0.9
287.16382	1.8
287.19614	0.6
305.17596	0.5
307.24298	0.5
324.18341	0.5
325.21777	0.6
325.25244	1.9
327.15686	0.5
333.24301	1.3
335.23578	3.1
343.19424	0.6
343.26312	3.7
353.24680	9.7
359.02921	0.8
359.22079	1.5
371.25763	11.7
389.26797	12.0
409.27798	0.9
427.28357	2.7
445.29437	100.0
446.29926	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	445.2942
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
52.68227	0.7
52.69775	0.6
53.03936	2.1
55.01859	2.5
55.05499	10.2
57.03416	2.0
57.07050	1.2
59.54877	0.6
61.65960	0.7
65.03937	1.6
67.05493	29.5
68.45836	0.6
69.03407	1.4
69.07056	10.3
69.66330	0.7
71.04972	2.3
77.03912	0.6
79.05477	25.5
81.03400	2.5
81.07041	27.1
82.07395	0.7
83.04961	1.9
83.08605	5.6
85.02875	0.7
85.06527	1.8
90.14729	0.7
91.05457	32.9
93.07026	26.9
95.04958	5.9
95.08591	20.0
96.08921	0.7
97.06526	3.4
97.10142	2.6
99.08096	1.6
103.05445	1.5
105.03384	0.8
105.07011	35.8
107.04939	3.9
107.08575	13.6
109.06525	4.0
109.10140	9.0
111.08040	1.2
113.06009	0.9
115.05441	2.2
117.07000	17.4
119.04865	1.0
119.08560	23.3
121.06493	2.7
121.10130	9.3
123.08064	2.3
123.11704	2.1
125.09647	1.7
128.06218	2.9
129.06979	11.9
130.07785	1.7
131.08540	25.7
133.06480	2.8
133.09149	1.3
133.10094	13.2
135.08014	3.2
135.11638	4.3
137.09552	1.7
141.06949	3.9
142.07761	1.4
143.08540	11.1
144.09247	0.9
145.06496	1.8
145.10115	16.4
145.11226	1.4
147.08026	2.6
147.11652	5.9
149.09616	1.8
149.13246	2.3
151.11156	1.5
154.07758	0.7
155.08543	6.3
157.06551	0.7
157.10089	8.4
159.08023	1.3
159.11647	7.7
161.09628	1.5
161.13228	8.7
163.11177	1.0
165.05476	1.4
167.08557	1.9
168.09319	0.7
169.10109	4.9
170.10577	0.7
171.11662	6.3
173.09601	1.5
173.13246	2.7
175.11168	1.5
175.14822	2.3
177.12758	0.9
179.07027	1.0
179.10759	0.8
181.10158	2.9
183.11697	3.0
185.09630	0.9
185.13191	3.7
187.14845	3.4
189.16347	1.2
191.14330	1.3
193.10399	0.8
193.12158	0.8
193.15955	1.0
195.11725	3.6
196.12439	0.8
197.13214	3.9
199.11195	0.8
199.14845	2.7
201.12691	1.2
201.16440	1.3
205.15889	0.9
207.13818	1.9
209.13287	2.5
211.14850	2.2
213.12756	1.6
213.16359	1.2
215.14204	1.3
215.18047	0.7
217.12206	0.8
217.15977	0.8
219.10208	1.0
219.13693	1.7
223.14803	2.1
225.16438	1.4
233.15338	0.8
235.16925	0.8
237.11174	1.6
241.15825	1.0
245.15500	0.9
245.18993	0.7
247.16930	2.8
255.17404	1.4
259.16977	1.5
261.18469	1.5
271.17068	0.7
273.18503	1.4
287.16531	2.1
325.25244	2.0
335.23712	4.8
343.26108	3.9
353.24683	11.9
353.28699	1.1
354.25226	0.8
359.02621	0.7
359.21967	1.5
363.26862	0.7
371.25781	12.6
377.19891	0.8
381.27856	3.2
389.26767	12.8
399.29507	0.9
409.27328	1.8
427.28391	2.6
445.29459	100.0
446.30002	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	445.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05495	0.3
56.05016	0.5
59.20033	0.4
65.03940	0.4
67.05496	0.4
69.07047	1.3
70.02951	0.5
70.06593	3.0
71.78999	0.3
71.79435	0.4
72.04496	0.5
72.08153	2.9
73.04729	0.9
74.00648	0.4
76.03987	1.6
79.05470	0.4
80.05001	0.5
81.07049	0.5
83.04988	0.3
84.04494	6.9
85.02871	1.0
85.04037	1.6
86.09695	1.8
90.07436	0.4
91.05766	1.5
92.01727	0.4
93.05779	0.7
93.07012	1.1
94.06535	1.5
97.02821	0.4
97.06502	0.4
99.02656	1.5
99.04442	0.5
99.05558	0.8
106.06518	0.4
107.08586	0.6
108.08141	1.8
109.08865	0.6
110.06033	1.0
110.09634	0.9
111.02667	0.7
112.03962	0.4
113.03506	0.5
113.04218	0.5
114.05486	0.5
114.09180	0.5
116.07070	0.4
118.06536	0.9
119.07293	1.2
119.08543	0.4
121.02821	0.4
122.06014	5.4
124.02126	0.4
124.07575	0.5
125.02916	0.8
126.03722	1.5
127.02122	0.5
127.04559	0.5
129.06575	0.5
129.10106	0.4
130.04965	3.6
130.08690	0.4
131.04524	1.0
131.17706	0.3
135.02571	0.6
135.11676	0.5
136.07539	1.2
137.04195	0.5
137.08340	36.4
138.09142	9.1
140.10675	1.3
142.06842	0.9
145.06062	0.9
152.05272	4.8
153.05467	0.6
153.06677	0.3
154.05019	0.5
159.02187	0.5
160.00705	0.5
161.05902	0.4
163.03828	0.7
165.05473	1.3
167.05560	0.8
168.04689	0.5
170.06326	100.0
171.06676	2.2
171.14857	0.5
172.07864	1.6
177.03270	4.7
177.05464	0.6
177.09099	0.8
179.06895	0.4
180.04694	0.5
181.06177	0.4
185.03786	2.0
196.07899	8.9
197.08136	0.4
199.14418	0.5
205.08549	0.7
206.06313	0.9
207.06374	0.4
213.10564	1.6
213.12434	0.6
219.10112	1.3
221.11676	0.6
223.09000	2.8
224.05154	0.7
224.07367	12.1
224.09491	0.8
229.12158	0.3
231.04314	5.5
237.11200	1.7
238.08575	0.5
241.10019	6.3
247.12920	0.7
279.11539	2.7
283.13641	0.7
287.16248	2.0
288.06384	0.8
312.08517	0.5
316.13239	12.0
317.13712	0.7
343.18866	0.7
352.13272	1.0
359.02780	1.0
359.18143	0.5
359.22064	1.4
370.14264	1.4
445.17227	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	445.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08272	2.6
58.30504	2.4
67.07655	2.7
68.62079	2.3
69.03424	4.9
70.06577	3.7
70.15823	5.8
70.16212	7.3
85.02888	11.5
86.06061	5.1
87.04455	2.5
96.08092	3.0
97.02840	2.4
102.96907	2.9
111.73199	2.4
114.09174	13.6
127.03882	4.1
138.05484	44.1
160.09691	8.5
163.02678	3.0
170.32489	2.7
185.60986	3.1
245.04906	3.6
246.05077	3.0
295.14886	3.9
341.15637	5.6
367.10114	3.4
398.76709	2.7
410.09964	2.6
445.10974	100.0
445.18222	19.7
446.10669	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	445.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70304	0.4
53.03926	0.6
54.18016	0.5
55.01859	0.6
55.05491	1.0
57.03431	0.8
62.36101	0.5
64.02981	0.4
67.05466	0.6
69.03407	2.6
69.07053	1.8
70.06583	3.9
71.04981	0.9
72.08153	2.9
73.02904	0.5
73.04767	0.6
79.05466	1.4
81.03399	2.7
83.04955	1.1
84.04513	1.0
84.08120	1.5
85.02892	3.0
85.06528	1.9
86.09698	7.0
89.03907	5.0
91.05779	1.9
93.07023	1.2
95.04945	1.2
97.02862	2.1
97.06507	2.1
98.21439	1.2
99.04442	0.8
105.07001	1.0
107.04936	1.8
107.08572	1.4
109.02859	1.9
109.10156	0.6
117.03355	7.3
119.04915	1.1
120.08032	0.5
121.02870	1.1
121.06467	0.9
123.04395	0.7
127.03873	1.6
130.08582	2.0
131.08557	0.6
133.10159	1.1
135.04396	14.9
135.08052	0.9
137.05980	1.2
137.09563	0.5
143.11734	0.7
145.02840	13.7
147.04361	2.0
149.05972	0.9
151.03806	0.6
153.05461	0.9
163.03882	100.0
163.11198	0.9
164.04225	2.4
165.05450	0.7
165.99158	0.5
167.05515	1.2
167.06960	1.2
175.03969	0.6
177.05443	9.5
177.09039	0.6
181.04907	3.3
185.12843	0.6
201.05405	1.0
207.06570	1.1
215.14055	0.6
230.94769	0.5
243.13411	0.7
247.13251	1.1
251.09280	0.6
258.66867	0.5
261.14709	0.5
265.14258	2.7
267.12210	1.7
283.10776	0.7
304.03571	0.4
307.08173	1.1
325.09113	4.9
339.10886	0.6
359.02832	2.0
359.18134	0.6
359.22220	0.6
445.20413	1.4
445.25632	0.7
451.36063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74298	0.4
52.29390	0.6
53.40372	0.5
54.96598	0.5
55.05494	0.7
57.03412	0.6
66.57855	0.5
67.05486	0.8
69.03416	0.6
69.07055	1.4
70.06593	0.6
71.04972	0.6
72.08113	0.6
79.05464	0.8
81.03422	0.6
81.07037	2.3
83.08616	0.5
85.02853	0.6
91.05415	0.9
93.07022	1.7
95.08598	1.8
96.08913	0.6
97.02851	0.5
97.06522	1.0
104.99173	0.5
105.07019	1.7
107.08579	1.4
108.08891	0.7
109.02843	0.6
109.10153	1.4
119.08559	1.0
121.06501	0.6
121.10139	0.7
123.11665	0.7
125.09625	0.6
133.10170	1.0
134.10428	0.6
135.08037	0.7
135.11676	1.1
140.04939	1.1
143.08563	0.8
145.05029	0.6
145.06512	0.7
145.10075	1.7
147.11630	0.7
154.06474	1.0
155.06006	11.7
156.08022	0.6
159.11580	0.8
167.05998	2.8
168.06828	2.1
169.07582	20.6
170.05971	1.5
170.07953	0.7
179.06021	7.0
181.07616	1.9
182.05995	1.4
182.08377	1.2
183.05521	11.2
183.09134	1.2
184.07639	0.8
185.07100	5.2
193.07582	6.7
194.04562	0.7
194.06116	1.2
195.05510	14.3
195.09145	0.8
196.06258	8.3
197.07069	18.8
197.13351	0.6
198.05444	3.6
198.07037	0.5
198.13747	0.7
199.05023	0.5
201.06575	1.6
202.16788	0.5
205.07854	0.6
207.05490	4.7
208.06282	1.0
209.07098	2.2
210.07768	1.3
211.05074	1.0
211.08569	3.5
213.06541	14.1
214.07150	0.7
221.07074	12.8
222.07722	0.9
223.05060	1.1
225.06555	31.6
226.06934	1.1
229.06052	14.0
229.88280	0.6
230.06541	0.6
233.52373	0.6
237.06583	3.2
238.07362	2.9
239.04381	2.2
239.08107	16.8
241.06003	2.9
243.07631	5.6
249.06584	5.7
250.07162	0.8
253.06026	2.7
255.07596	1.6
256.08328	0.8
257.05588	4.2
265.06131	1.7
266.06696	1.1
267.07608	11.8
269.05591	3.0
271.07095	25.5
277.06052	9.3
277.08881	0.9
283.07037	0.9
285.08673	17.8
286.08997	1.0
295.07098	26.6
296.07559	0.7
313.08130	21.8
314.08423	1.0
331.09186	4.1
338.14914	3.9
358.20822	0.6
362.14810	0.5
380.15970	7.1
381.16379	0.7
384.15491	26.6
385.15857	1.5
398.17056	15.0
399.17722	0.7
408.15677	0.7
408.33310	0.8
426.16516	26.4
426.34351	1.1
427.16824	2.0
444.17603	100.0
444.27936	2.3
444.34686	5.2
445.17917	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	443.3877
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05499	21.6
55.49006	2.8
55.67593	2.8
57.07057	8.9
59.06104	3.6
66.19009	2.6
67.05491	36.7
69.07053	60.3
71.04977	3.9
77.08484	3.1
79.05485	21.6
79.05885	4.3
81.07043	97.3
83.08588	18.5
85.06508	6.0
87.04438	5.2
91.05460	14.3
93.07028	42.2
95.04919	4.3
95.08595	100.0
96.08923	3.8
97.10162	9.0
98.21479	5.0
99.08075	8.9
105.07029	29.9
107.08577	66.0
107.09282	2.2
109.10143	71.6
111.08118	5.2
111.11702	16.9
117.07001	6.0
119.08579	32.7
121.10124	58.7
123.11684	37.8
125.09604	4.3
127.11173	4.9
131.08542	9.7
133.10094	32.6
135.08124	3.7
135.11679	42.6
137.09512	3.2
137.13229	27.8
139.11165	6.7
145.10104	16.0
147.11652	29.0
149.13242	46.3
159.11691	14.1
161.13199	18.4
163.14803	15.5
165.09093	7.0
171.11690	4.3
171.52158	3.0
173.13274	9.1
175.14815	18.4
177.16425	16.9
187.14816	9.5
189.16290	14.0
191.10632	7.1
191.12248	3.0
191.17906	31.0
195.17418	3.8
201.16409	7.9
203.17924	21.0
205.19438	8.7
207.17311	3.8
215.17914	9.5
217.19493	16.0
219.10139	4.5
229.19441	7.4
229.52721	4.1
231.21037	6.7
233.18971	4.0
237.11169	8.0
237.18579	3.5
247.20560	4.2
251.19882	4.1
257.22537	4.0
271.24277	4.4
339.19363	4.2
357.16690	3.0
357.20499	16.5
375.21640	5.9
407.36856	16.0
425.37775	37.3
443.18420	5.2
443.33148	5.3
443.38589	37.5
444.19318	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	443.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12514	2.3
53.03934	4.7
55.05500	17.3
57.07079	10.2
59.04989	2.7
65.03934	3.0
67.05499	33.1
69.07059	53.0
69.56918	22.0
71.04981	15.9
73.20383	2.3
74.26430	2.0
77.15289	2.0
79.05488	21.3
81.07048	76.6
83.08604	13.4
85.06519	5.1
87.04487	2.4
91.05463	14.3
91.28436	2.0
93.07034	59.4
93.21143	2.0
95.04967	5.7
95.08595	100.0
96.20353	2.0
97.06562	2.6
97.10165	7.1
99.08064	6.6
105.07014	36.1
107.08578	83.0
108.08897	2.2
109.06529	4.7
109.10142	91.9
110.10479	3.4
111.08044	3.6
111.11696	8.4
119.08558	48.6
121.10126	67.8
121.10962	4.3
122.10468	2.4
123.08086	3.6
123.11681	28.4
125.09661	4.8
127.11179	23.0
131.08578	12.2
133.10110	46.6
135.08058	3.3
135.11676	63.5
136.11955	2.1
137.13234	16.3
139.11160	3.2
143.08516	3.7
145.10089	12.6
147.11678	35.0
149.09624	3.5
149.13248	43.7
151.14821	2.5
153.12721	10.5
157.10114	4.2
159.11694	18.4
161.13232	26.3
163.11194	3.8
163.14786	23.2
165.12744	2.7
167.14331	2.9
171.11713	4.0
173.09654	4.3
173.13258	13.8
175.11209	5.8
175.14825	19.8
177.09013	2.2
177.16360	15.8
185.13174	2.5
187.11137	2.5
187.14838	9.3
189.16345	18.1
191.17914	48.3
193.15843	3.5
195.17407	3.0
199.14839	2.4
201.16335	11.6
203.17928	23.3
204.46062	2.2
205.16064	2.5
205.19556	4.5
207.17447	4.0
215.17975	8.6
217.19461	27.9
219.10167	13.5
219.17456	4.1
221.18958	4.7
229.19537	6.6
231.21126	6.0
233.18906	4.9
235.20656	5.6
237.11145	12.1
243.20999	2.7
257.22672	5.1
259.24323	5.8
271.24002	2.5
273.49393	2.2
277.25461	2.5
285.25720	4.7
315.26584	2.3
339.19589	9.1
357.20575	29.9
375.21674	12.6
379.25821	2.4
407.37256	4.6
409.17487	2.5
425.32883	3.5
425.37885	59.5
426.37671	4.3
443.18500	6.7
443.27878	5.0
443.34219	46.3
443.39883	5.5
444.19656	2.4
444.34998	5.2
453.15561	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	443.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75664	3.0
55.05506	17.8
57.07074	11.1
65.03951	4.8
67.05490	30.1
69.07057	47.4
69.07365	4.0
70.98382	6.4
70.98753	7.6
71.04980	6.7
79.05487	20.0
81.07043	86.8
82.07361	3.5
83.08622	15.2
85.06542	4.1
87.04453	5.9
91.05449	16.7
93.07031	49.6
95.04976	3.5
95.08588	100.0
97.10184	7.3
97.57235	3.5
105.07017	23.2
107.08573	58.6
107.09204	3.9
109.06533	4.4
109.10138	61.1
109.10838	4.5
111.08093	5.1
111.11726	6.2
113.09673	4.3
119.08588	24.8
121.10124	52.1
123.08074	3.8
123.11696	28.9
125.09670	11.3
127.11194	6.5
131.08539	7.7
133.10104	27.0
135.11658	33.7
137.09665	5.2
137.13293	16.1
139.11186	5.7
143.10649	7.8
145.10158	12.8
147.11674	27.5
149.13239	59.5
150.13559	3.8
151.07541	7.1
151.11189	5.7
153.12674	4.1
157.10156	6.1
159.11641	18.2
161.13272	13.2
163.14845	12.0
165.12808	3.8
173.13303	8.0
175.11163	4.0
175.14911	9.7
177.16460	10.2
187.14915	10.8
189.16391	10.2
191.17958	8.5
195.17480	4.2
198.81116	3.7
201.16399	7.0
203.17995	11.2
205.09047	3.9
215.17953	8.2
217.19576	8.6
219.10234	9.3
229.19556	7.3
231.21167	3.3
233.19064	6.9
237.11209	6.0
251.20108	4.6
255.29948	3.9
257.22705	4.6
289.25436	3.5
339.19623	10.9
357.20502	29.3
359.14725	3.6
375.21652	10.4
385.14120	3.6
389.24380	3.9
399.16351	4.1
407.36963	4.3
415.18945	5.0
425.37796	19.1
428.16180	7.8
429.16931	6.9
436.12567	3.6
443.18378	47.2
443.27908	4.3
443.33832	9.3
443.38840	13.5
444.18793	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	443.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.05499	13.9
55.42246	1.3
57.07065	7.2
58.03029	1.4
61.26464	1.7
64.31168	1.7
67.05495	21.3
69.03395	2.0
69.07057	22.8
69.68062	12.6
71.08566	1.3
79.05480	17.3
81.07043	57.2
82.07304	1.3
83.04942	2.8
83.08608	13.2
85.06522	2.9
91.05456	16.0
91.43430	1.3
93.07024	40.8
95.04922	2.2
95.08593	100.0
96.08918	1.8
97.06524	2.7
97.10157	8.9
98.21449	3.0
99.08077	1.7
100.25437	1.3
105.07018	35.2
107.08575	67.6
109.06456	3.5
109.10140	65.0
111.08035	2.5
111.11689	3.9
116.13029	1.4
117.07005	2.6
119.07709	2.8
119.08561	44.3
121.10127	61.8
123.08044	5.4
123.11687	26.8
125.09616	9.5
127.07510	1.7
128.06241	1.5
129.06966	2.8
131.08530	9.3
133.10109	39.3
134.10356	2.0
135.08028	4.4
135.11665	36.5
136.12003	2.2
137.09552	3.0
137.13239	13.9
139.11160	4.7
143.08557	3.2
145.10109	19.0
147.11670	30.3
149.09560	2.3
149.13226	24.8
151.11185	2.2
151.14806	3.5
157.10114	4.6
159.11671	12.9
161.09599	2.1
161.13243	23.4
163.07460	1.6
163.11119	2.2
163.14792	30.1
165.09129	2.6
165.12717	3.7
165.16289	1.9
169.10065	2.6
171.11633	3.2
173.09578	2.3
173.13225	10.7
175.11215	3.2
175.14799	22.9
177.12848	1.9
177.16351	29.0
178.16698	2.3
179.14339	5.1
179.17839	1.8
183.11586	3.4
185.13202	4.4
187.14780	18.9
189.16359	24.6
191.14340	2.4
191.17924	63.3
193.15871	3.0
199.14755	4.6
201.16351	11.5
203.14262	5.8
203.17917	36.0
205.15892	10.0
205.19522	9.1
207.17429	9.1
207.20920	1.6
213.16389	4.6
215.17924	8.9
217.19490	39.3
218.19881	1.9
219.10158	4.4
219.17303	2.1
221.15289	1.8
221.18907	11.6
223.16924	2.1
227.14037	1.8
227.17845	4.9
229.19513	4.7
231.21085	4.0
233.18993	4.2
235.20518	25.1
237.11188	5.6
241.19533	2.7
243.21155	2.3
245.22571	4.8
247.20476	3.8
257.22598	2.2
261.22025	1.9
263.23648	2.4
281.22665	2.2
286.24939	1.5
327.23145	2.2
339.19495	4.9
357.20667	12.2
373.27362	1.7
375.21533	3.4
383.32898	7.8
395.36707	10.1
397.30774	4.0
407.32269	2.7
407.37402	6.7
413.38147	11.2
419.25534	1.6
425.32813	2.6
425.38327	26.7
443.27115	1.8
443.29327	2.1
443.34732	23.1
444.35370	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.388
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03931	2.3
54.12026	1.4
55.05505	13.9
55.20427	1.5
57.03419	4.5
57.07072	8.5
58.96909	1.5
59.04984	1.5
62.17674	1.5
65.03955	1.7
67.05494	27.7
69.03416	3.9
69.07057	30.6
71.01340	4.9
71.04996	1.9
71.12983	4.5
73.02901	6.4
79.05473	13.9
81.03410	25.7
81.07044	55.0
83.04970	2.0
83.08609	18.6
85.02899	14.4
85.06544	4.5
87.62582	1.7
91.05467	16.5
93.07035	38.0
95.04946	9.7
95.08596	100.0
96.08893	2.4
97.02877	3.1
97.06530	2.4
97.10154	10.8
101.02395	2.1
105.07020	33.1
107.08581	65.6
108.08919	1.7
109.06524	3.6
109.10143	65.6
111.08063	4.9
111.11707	5.9
113.00031	2.1
113.02328	3.6
117.07022	2.3
118.77569	1.9
119.08563	37.2
121.10130	61.3
123.08085	3.5
123.11694	24.3
125.09605	8.5
127.11188	2.2
129.06955	3.1
131.03378	4.7
131.08556	7.8
133.10115	36.8
135.08006	2.8
135.11681	39.7
137.09654	3.1
137.13260	6.7
139.11156	7.3
141.01830	3.9
145.10126	10.6
147.07860	1.8
147.11667	26.5
149.09633	2.4
149.13239	22.6
151.11191	1.5
157.10086	3.2
159.02888	1.7
159.11678	10.3
161.13235	24.3
163.07553	1.5
163.11166	2.8
163.14801	32.8
165.09076	3.5
165.12755	2.6
169.02641	2.3
171.11589	2.2
173.09604	2.9
173.13249	7.4
175.11211	6.0
175.14804	14.3
177.12778	2.2
177.16365	16.7
179.14336	2.0
185.13271	2.0
187.14865	3.3
189.16354	12.0
191.10617	2.4
191.17926	97.6
192.18353	2.0
193.12248	11.8
201.16342	3.7
203.17929	23.2
205.19617	7.7
207.17390	4.5
215.17955	7.0
217.19504	37.4
218.19780	2.6
219.10181	6.4
219.17416	2.8
221.18930	11.7
227.17744	1.7
229.19450	4.0
231.21126	5.7
233.19016	5.6
235.13211	3.2
235.20532	33.1
237.11269	10.1
241.19250	2.0
243.21133	2.2
245.22606	2.6
249.22119	3.7
257.22748	2.3
261.22263	1.7
263.23642	3.0
267.15942	7.0
303.15784	1.7
309.16562	2.1
329.28418	7.0
339.19565	7.2
357.20627	18.1
358.20593	2.5
375.21613	7.4
395.36560	4.8
407.36563	6.5
413.37689	8.0
425.32993	2.3
425.37921	38.3
426.38483	3.0
443.18869	6.3
443.27957	3.7
443.33768	6.0
443.39282	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	443.388
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05507	20.0
57.07059	11.9
57.53585	3.5
63.66459	3.5
67.05496	30.6
69.07066	45.5
71.05014	5.0
71.79733	4.6
71.80120	8.8
79.05473	13.2
81.07046	69.6
83.08618	13.9
87.04478	5.0
91.05486	16.2
93.07031	42.2
95.04943	6.8
95.08592	100.0
97.06489	4.6
97.10146	7.4
99.08074	5.8
105.07003	36.6
107.08585	72.1
109.10144	76.2
111.08062	4.0
111.11687	4.5
117.06980	4.7
119.08549	38.6
121.10139	58.3
123.11690	45.6
127.11173	14.7
131.74805	4.6
133.10097	33.3
135.11684	55.0
137.09589	4.5
137.13235	17.2
144.09146	3.9
145.10110	17.2
147.11639	30.5
149.13231	31.6
153.12709	11.5
159.11678	22.7
161.13242	23.6
163.14798	17.6
167.14262	4.7
173.13254	11.7
175.14857	13.7
177.16385	15.9
187.14868	11.0
189.16341	17.1
191.17859	20.3
195.17418	10.4
201.16359	11.0
203.18010	14.8
213.16525	4.2
215.17863	7.8
217.19579	9.1
219.10138	13.4
227.17979	4.4
229.19481	17.2
231.21004	10.1
231.32924	4.5
233.19069	5.4
237.11211	14.9
241.19409	4.4
247.20645	6.7
271.23856	3.7
285.25806	4.6
301.48309	4.1
339.19510	11.7
357.20465	38.9
375.21646	14.9
407.36911	8.2
425.37738	56.2
431.01077	4.2
443.28137	6.6
443.33359	12.2
443.38736	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	443.3879
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03935	4.2
53.29921	2.1
55.05505	24.6
57.07051	6.2
59.04998	9.9
67.05492	42.1
69.03392	2.8
69.07060	100.0
70.01420	13.9
71.04991	13.5
71.08588	3.9
79.05486	23.5
81.07046	96.5
83.04989	2.0
83.08603	14.2
85.06533	3.7
87.04456	2.8
89.01094	1.9
91.05469	21.3
93.07031	71.9
95.04963	4.3
95.08595	95.1
96.08921	2.2
97.06519	5.2
97.10139	8.8
99.08081	6.3
105.07015	36.9
107.08583	82.5
109.06503	4.3
109.10146	98.5
111.08041	2.7
111.11714	39.2
117.06976	3.7
119.08572	33.3
121.10130	58.9
121.88065	2.1
123.11699	32.5
125.09615	5.7
126.07672	2.0
127.11176	23.3
131.08531	7.6
133.10117	26.2
135.11670	65.2
137.09679	2.7
137.13217	13.3
139.11171	9.7
141.12686	3.9
145.10094	15.2
147.11662	24.9
149.13245	52.5
153.12729	13.2
159.11682	17.0
161.13222	21.9
163.14818	15.8
167.14316	3.7
167.59685	2.1
171.11644	3.0
173.09639	2.0
173.13219	9.8
175.14809	16.1
177.16371	23.9
179.14233	2.2
187.14763	11.1
189.16391	12.9
191.17952	9.0
195.17386	9.4
199.14726	3.3
201.16394	8.3
203.17929	12.6
213.16380	3.6
215.18047	10.9
217.19485	9.8
219.10164	2.7
229.19522	5.1
231.21005	6.1
237.11060	2.9
255.21083	3.0
257.22531	4.0
259.24197	6.6
271.24112	7.2
275.23651	3.1
285.25702	5.5
303.26779	2.0
315.26813	2.3
339.30246	3.6
357.20590	7.6
357.31381	5.5
407.36728	6.4
425.37918	23.9
443.39175	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	443.3877
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03940	3.2
55.05503	15.5
56.12156	2.4
57.07059	7.5
59.05000	2.0
67.05492	35.7
69.07056	50.6
70.39856	7.8
71.04972	7.7
71.08623	3.4
79.05473	18.1
81.07043	93.5
83.08609	18.2
85.06535	3.5
91.05454	10.8
93.07028	42.5
95.04960	2.8
95.08587	100.0
97.06558	2.7
97.10153	10.9
99.08094	6.0
100.94885	2.2
105.07009	30.0
107.08580	52.3
109.06490	7.1
109.10137	89.2
111.08078	3.8
111.11722	9.8
119.08556	26.7
121.10130	35.3
123.11684	36.2
125.09594	11.2
127.11153	18.2
131.08546	9.0
133.10097	22.6
135.11682	36.6
137.09633	5.9
137.13219	21.5
143.08568	3.8
143.10620	2.7
145.10091	13.2
147.11671	26.8
149.09555	2.7
149.13234	24.0
150.75914	2.2
151.11131	4.0
151.14818	3.0
155.10626	6.2
159.11719	11.4
161.13222	14.6
163.11275	2.7
163.14818	18.4
165.09152	3.1
165.12750	8.0
173.13289	9.6
174.71437	2.2
175.14803	10.1
177.16344	13.3
179.17982	3.0
183.13783	5.9
185.13309	4.5
187.14780	11.3
189.16364	9.3
191.17937	13.2
193.15927	5.3
201.16307	4.8
203.17949	8.8
205.19528	2.7
207.13696	2.2
215.17972	4.5
217.19427	3.3
227.17880	2.8
229.19499	4.1
243.21024	3.0
255.21025	3.1
257.22522	6.0
275.23654	4.1
283.24216	2.6
285.25659	3.1
339.19510	5.6
339.30435	6.9
357.20538	13.6
357.31335	5.8
375.21863	2.7
407.36429	6.4
425.37741	39.0
443.33624	3.5
443.38840	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	443.3876
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05506	11.8
56.98116	1.3
57.07074	6.9
57.38561	1.3
65.03964	1.7
67.05494	27.2
69.07059	34.2
69.60452	5.0
69.60879	9.4
71.04974	4.6
79.05482	18.9
81.07043	100.0
82.07383	1.7
83.04971	2.0
83.08609	13.7
85.06527	3.4
91.05460	13.0
93.06435	1.7
93.07030	33.8
93.07577	2.8
94.44627	1.4
95.04968	1.8
95.08593	78.3
97.06497	1.9
97.10145	8.0
98.20703	2.2
99.08086	3.9
105.07012	19.7
107.08575	47.5
109.10142	46.3
111.08070	2.1
111.11692	3.2
113.09650	2.3
117.06999	5.1
119.08556	21.3
121.10133	43.9
123.11691	20.0
125.09607	4.2
127.11181	4.7
131.08556	7.1
133.10103	22.8
135.11678	29.0
137.09550	1.7
137.13248	16.0
145.10117	10.7
145.31778	1.5
147.11674	17.7
149.13234	35.0
151.14761	2.6
153.12767	1.5
157.10094	2.0
159.11684	13.5
161.13243	13.2
163.14772	11.0
165.12769	1.9
173.13258	10.6
175.14793	11.7
177.16367	28.7
185.13246	2.9
187.14830	8.6
189.16380	8.0
191.17909	9.8
195.17416	3.4
199.14827	2.0
201.16356	5.1
203.17908	7.5
205.19511	5.8
213.16327	1.9
215.17914	11.0
217.19470	7.9
219.10103	1.8
229.19560	4.7
231.21034	4.4
233.18996	7.8
237.11183	2.2
243.21008	2.3
251.20039	5.8
257.22665	3.5
271.24185	2.0
273.36911	1.5
279.23074	2.0
283.24130	2.7
289.25116	1.6
293.24603	1.5
343.29904	2.8
357.20511	5.5
361.30838	3.0
375.32239	1.9
407.36472	7.1
425.37796	24.4
426.38144	1.8
443.33151	2.3
443.38821	24.1
444.39017	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	443.3878
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
50.30917	2.3
55.05497	19.3
57.07069	5.4
59.04990	2.3
61.49918	2.1
67.05495	33.1
69.07059	47.4
69.66034	15.2
69.66442	4.2
71.04999	13.3
71.05305	2.9
79.05476	20.2
81.07043	84.0
83.08224	2.1
83.08610	20.4
85.06533	4.8
91.05464	17.8
93.07026	59.7
95.07989	5.0
95.08594	100.0
96.08926	3.0
97.06503	2.8
97.10155	17.3
98.20653	2.3
99.08072	4.3
105.06998	31.7
107.08577	71.1
108.08922	2.5
109.06490	4.6
109.09385	5.1
109.10136	87.7
111.08055	3.9
111.11700	10.0
117.06997	3.7
119.08565	39.4
121.10123	67.3
123.03728	2.1
123.11688	44.8
125.09597	2.8
125.13199	2.9
127.11169	15.2
131.08560	15.2
131.09390	2.8
133.10097	32.9
135.11670	54.8
137.13203	11.9
139.11122	3.4
145.10092	18.6
147.11658	32.1
149.13237	31.5
151.11115	4.7
153.12720	10.1
159.11691	18.5
161.13235	23.5
163.14777	19.5
171.11734	3.1
173.13213	14.3
175.14812	17.1
177.16376	25.8
179.17978	3.4
187.14793	16.6
189.16386	14.4
191.17876	21.9
193.15874	2.6
195.17416	5.8
195.43150	2.4
199.14825	2.5
201.16319	17.1
203.17938	30.5
207.17365	3.9
211.92902	2.4
215.17867	9.8
217.19513	13.9
227.17949	4.5
229.19490	12.3
231.20972	7.1
235.20699	3.2
243.20972	4.1
249.01718	2.8
257.22656	4.6
259.24243	3.9
263.23755	2.6
269.22430	3.0
285.25656	6.7
303.26917	3.0
325.28812	3.8
339.30420	3.4
343.29660	3.1
357.20496	5.7
407.36707	26.7
425.37729	62.2
443.18893	2.3
443.33377	2.2
443.38794	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	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.01855	6.1
55.05491	21.3
55.05727	4.7
57.03419	4.5
57.06815	4.1
57.07064	27.0
67.05486	33.6
69.07064	46.5
71.08626	4.4
71.10320	4.2
71.79755	6.6
79.05478	23.7
81.07044	57.2
83.08598	21.1
85.06530	15.1
87.04445	49.4
88.04785	10.5
91.05442	31.0
93.07023	53.7
95.04978	10.7
95.08598	100.0
96.08889	8.4
97.06502	6.5
97.10153	13.7
99.08071	56.9
105.07023	55.3
107.08572	96.1
109.06510	8.8
109.10138	74.6
111.08072	13.1
117.07022	9.3
119.08570	86.2
121.06475	6.9
121.10139	95.6
123.08051	13.1
123.11680	25.6
127.07529	24.1
131.08554	30.2
133.10118	77.5
133.11024	8.9
135.08003	12.6
135.11664	59.3
137.09639	13.1
137.13231	8.5
143.08551	8.5
145.10097	47.3
146.10342	5.8
147.08035	8.1
147.11661	54.6
149.09607	13.2
149.13264	35.9
155.08569	5.2
157.10136	20.0
159.11665	35.9
161.09599	6.7
161.13206	22.5
163.11220	17.4
163.14822	18.1
165.09096	18.8
165.12720	7.0
169.10120	9.1
171.11722	21.5
173.09621	13.2
173.13257	31.6
175.11195	19.7
175.14842	18.9
177.09077	8.3
177.12720	7.1
177.16379	18.8
179.14308	5.0
183.11670	6.8
185.13284	24.8
187.14806	33.9
189.12791	8.3
189.16379	21.3
191.14244	8.7
191.17902	31.4
197.13199	6.4
199.11031	6.1
199.14780	25.8
201.12605	7.2
201.16360	36.0
203.14301	7.4
203.17857	24.5
205.15883	20.3
207.13670	4.5
211.14789	7.5
213.16383	12.9
215.17894	14.8
217.15869	8.2
217.19505	6.2
219.10168	33.7
219.17369	12.2
223.14822	6.9
223.16983	11.6
227.10754	6.5
227.17949	9.1
229.19540	5.8
231.17377	10.5
231.21170	5.4
233.18916	6.1
235.09566	7.6
235.14859	5.1
237.11044	37.9
241.19603	7.4
249.18509	9.6
339.19635	23.4
341.21017	6.1
351.19345	6.2
357.20566	75.8
358.20840	9.7
375.21854	31.5
389.24731	7.5
389.31952	8.1
395.33032	5.5
397.34805	10.7
407.25760	5.2
407.32956	39.8
425.26758	7.4
425.28082	8.1
425.34143	76.3
443.18484	16.0
443.27768	11.6
443.34625	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	443.3515
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05505	8.0
56.05836	0.7
57.03408	1.0
57.07068	5.0
63.00024	0.5
67.05495	12.4
69.03436	0.6
69.07059	12.5
71.04968	0.7
71.08593	1.2
71.79599	0.8
79.05474	4.0
81.03402	0.5
81.07047	29.3
81.07530	1.4
83.04951	1.3
83.08608	5.0
84.18441	0.6
85.06514	1.4
85.10170	1.0
87.97698	0.6
91.05475	4.2
93.07040	6.1
95.04946	1.8
95.08591	23.1
96.25018	0.6
97.06502	0.8
97.10149	3.5
99.08077	1.2
105.07021	4.9
107.06579	0.6
107.08572	9.3
109.06485	1.4
109.10142	17.9
111.08067	0.7
111.11686	1.8
111.80876	0.6
117.06970	1.0
119.08568	8.4
121.06497	0.8
121.10126	8.1
122.07253	1.0
123.08033	1.5
123.11691	7.9
125.09598	1.4
129.06874	0.7
131.08478	2.7
133.10126	5.2
135.08052	3.3
135.11687	4.9
137.09616	10.2
137.13214	3.0
139.07536	0.8
143.08533	1.4
145.10080	3.9
147.11664	3.8
149.09592	15.0
149.13226	2.8
151.07568	1.4
151.11169	0.9
151.14851	1.0
152.08025	0.6
153.09074	1.6
157.10097	1.7
158.10919	0.7
159.11690	4.5
161.09612	1.3
161.13208	1.8
162.06766	0.7
163.07513	0.7
163.11156	11.2
163.14769	2.1
165.09091	100.0
166.09441	1.3
171.11613	1.4
173.09610	2.6
173.13200	2.2
175.11169	4.7
175.14764	1.7
176.08383	0.8
177.09071	9.8
177.12770	1.8
179.10686	1.0
179.14304	0.7
185.13235	1.0
186.10387	0.8
187.11215	1.1
187.14801	1.8
188.11845	0.6
189.09059	1.6
189.12711	4.0
189.16365	1.8
190.09880	1.3
191.10654	6.6
191.17932	2.4
199.11110	1.5
201.12703	2.2
201.16348	1.6
203.10652	1.9
203.14297	1.8
203.17969	1.5
205.12207	10.8
205.16023	0.7
213.12747	0.9
215.14191	0.8
217.08719	0.7
217.12146	0.7
219.10162	2.9
219.13785	2.5
231.13811	0.8
233.15407	1.3
237.11191	2.8
247.16949	0.7
267.13907	0.6
275.19904	0.7
291.26709	1.3
301.25037	0.6
315.15829	0.7
339.19427	2.5
341.20984	0.8
357.20621	5.9
365.45761	0.7
375.21658	2.3
389.24899	0.9
407.33047	1.4
415.31863	2.7
415.36630	1.2
425.33997	6.6
443.18771	0.7
443.28677	1.4
443.35101	24.2
444.35275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	2.6
55.04239	2.8
55.05494	0.5
57.03423	0.7
61.02914	0.9
69.03408	1.9
69.07063	1.0
70.02950	0.6
70.06581	1.2
70.13550	1.3
70.13943	0.7
71.04979	0.6
73.02884	0.5
80.05005	1.1
81.03425	0.7
81.04531	20.3
82.05315	9.0
85.02891	3.3
87.04424	0.7
91.05460	0.6
95.08598	0.4
97.02872	2.0
98.97550	0.9
99.04416	0.5
108.05579	0.8
110.07155	0.8
114.03775	0.5
114.09164	0.6
115.23946	0.5
116.07080	0.5
122.07136	100.0
123.07918	93.6
124.08266	0.8
127.03893	0.8
136.06194	1.5
136.07669	0.6
137.05939	0.6
139.03891	0.6
141.03513	0.5
144.04770	1.6
150.05452	2.0
154.14780	0.5
160.04294	2.3
163.03882	0.6
165.07692	4.3
172.04250	1.4
172.05591	0.5
175.11084	0.5
212.20645	0.4
219.10165	1.2
237.11250	1.3
281.10645	56.5
282.10953	1.5
285.96143	0.4
293.38455	0.5
323.11755	0.7
339.19528	0.8
357.20529	3.0
375.21490	0.7
391.73166	0.4
395.11069	0.8
419.76620	0.5
425.26636	0.6
443.15897	94.7
444.16360	2.4
468.73624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1911
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
51.27782	1.4
53.03922	1.7
55.05501	2.7
57.03434	2.4
57.07043	2.2
57.25189	1.6
67.05488	4.5
69.03396	5.7
69.07043	2.8
69.57440	14.4
69.57846	3.2
70.06597	2.3
72.08156	3.7
79.05474	6.7
81.07033	3.7
83.04956	3.1
83.23901	1.8
85.02878	6.5
86.09684	7.0
91.05467	7.7
93.07021	6.9
95.04966	3.7
95.08585	3.6
97.02879	3.4
97.06498	4.0
105.07019	14.2
106.16357	1.8
107.08602	9.0
109.06474	2.9
109.10197	2.1
109.85844	1.7
111.04420	5.7
117.06981	2.8
119.04905	2.0
119.08556	7.1
121.06454	3.5
121.10094	2.5
123.07997	2.4
127.03870	2.4
127.86253	2.0
128.10690	3.5
129.07043	2.1
131.08539	5.8
133.06485	2.5
133.10118	13.2
135.08038	100.0
142.07765	2.9
143.08522	2.3
144.09404	1.9
145.10097	3.3
147.04372	3.2
147.08023	4.5
147.11671	4.2
149.05933	2.8
149.09624	2.3
151.07565	2.4
153.07034	2.1
156.09320	5.9
157.10089	2.9
158.07339	3.2
159.08044	6.2
159.11676	12.1
161.09483	2.6
169.10074	4.6
171.08009	3.8
171.11691	3.9
172.08832	10.0
173.09589	21.2
175.07594	3.2
175.11157	4.4
177.09175	1.8
185.09613	2.9
187.07553	2.2
187.11151	46.1
199.11176	9.6
203.10616	11.9
212.23814	1.8
215.10654	30.0
217.12234	6.9
219.10175	4.0
227.10611	6.2
233.11708	62.5
234.12035	2.8
237.11182	5.4
245.11717	31.0
263.12741	37.7
330.18353	1.8
339.19528	3.5
342.31699	1.7
357.20413	10.9
375.21564	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	442.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68409	0.3
51.44353	0.3
55.01854	1.3
55.05488	0.5
57.03412	1.1
58.06593	1.7
59.07358	0.8
60.08153	9.6
65.03941	0.7
67.05470	0.5
68.99768	0.3
69.03429	1.9
69.07040	0.3
69.90189	2.0
70.06580	2.5
70.14285	0.3
71.04965	0.7
72.08135	4.0
73.02906	1.7
78.04681	0.5
79.05467	0.8
80.05814	0.5
81.03403	4.1
81.07033	0.3
82.03733	0.5
83.01342	0.4
83.04958	0.7
84.04488	0.3
84.08150	0.6
85.02892	4.8
86.03236	0.7
86.09679	1.4
87.04426	0.7
89.03892	1.7
90.09173	0.6
91.05444	1.4
92.05822	0.5
93.03401	2.3
93.07038	0.4
94.03728	1.1
95.04939	0.8
97.02883	2.0
97.06539	0.4
97.07651	0.7
98.07934	0.3
98.20679	0.7
99.04439	0.9
103.03941	0.4
103.05436	0.4
104.05746	0.3
104.10723	27.7
105.03384	0.8
105.07001	1.2
105.11058	0.3
106.07329	0.5
107.04937	2.7
108.05264	1.4
109.02863	4.5
109.06492	0.3
110.02370	1.1
110.03131	0.6
111.02733	0.4
111.04430	1.1
113.05936	0.3
113.09599	0.3
114.09136	1.4
114.10259	1.1
115.05430	0.8
116.07063	0.4
117.03359	5.4
117.06970	0.3
117.54914	0.3
119.04921	1.5
120.05234	0.4
121.02842	2.9
121.06481	0.9
122.03173	1.5
122.06879	0.4
123.04389	1.3
124.04758	0.5
124.07573	0.7
127.03897	1.3
128.06216	0.4
130.04874	0.4
130.08578	1.7
131.04913	1.0
131.12952	0.5
132.05237	0.5
132.10257	0.3
133.06462	1.8
134.03592	1.3
134.06798	1.1
135.04414	2.6
136.04681	1.5
137.05966	0.8
139.03874	0.6
141.05492	0.4
145.02818	22.6
145.06483	0.6
146.03154	1.0
146.06824	1.0
147.04407	3.9
148.04724	2.2
149.02295	0.6
149.05922	2.3
150.02646	0.3
150.06322	0.4
151.03841	1.2
152.07066	3.1
153.01813	0.6
153.07314	0.4
154.02115	0.4
158.11766	0.5
159.04417	1.8
160.04761	1.2
161.02316	0.7
161.05972	1.9
162.06271	1.6
163.03874	2.3
164.04250	0.7
164.07106	0.4
165.01790	0.7
165.05476	0.4
166.02098	0.3
170.08104	0.4
171.04402	0.4
172.04680	0.4
173.05948	0.8
174.06277	0.9
175.00237	0.5
175.03851	0.6
176.04268	0.5
177.02046	1.8
177.05438	33.8
178.02159	1.1
178.05800	1.6
181.04898	0.4
183.02922	0.6
186.05469	0.4
187.03807	1.7
188.04198	1.5
189.01813	3.0
189.05460	1.0
190.02135	2.3
190.05807	0.7
191.03362	0.9
192.03665	1.0
194.05414	0.4
194.09244	0.7
195.02853	2.9
195.06606	0.3
195.09537	0.6
196.03154	1.6
196.89297	0.3
201.05424	1.4
202.05750	2.8
203.03430	1.0
204.03751	1.4
205.01273	1.5
205.04904	0.7
206.01672	0.9
206.05305	0.6
207.02863	3.8
208.03157	2.9
215.03363	1.1
216.03741	1.3
217.04897	0.4
218.05275	0.8
219.02861	2.1
220.03246	2.0
221.04597	0.6
222.04753	0.7
223.02333	2.5
224.02657	2.1
225.03891	2.4
226.04202	2.0
227.03392	0.4
228.03770	0.5
229.04941	1.7
230.05197	3.9
231.02905	2.8
232.03174	4.0
233.04356	1.2
234.04657	1.5
243.02777	0.5
244.03189	1.5
245.04356	0.6
246.04773	0.9
247.05913	0.5
248.06184	0.8
248.14943	0.5
249.03925	2.1
250.04173	2.0
251.06929	0.5
252.07468	0.6
255.02892	0.4
256.03207	0.5
257.04520	1.6
258.04803	4.0
259.05234	0.5
261.03946	3.6
262.04260	5.0
263.04263	0.4
272.06268	0.4
273.03860	3.6
274.04202	5.7
275.05167	0.4
276.05771	0.7
282.04868	0.4
285.03918	3.9
286.04242	10.9
286.07440	0.6
287.04590	1.1
290.77896	0.4
291.04874	2.9
292.05231	3.5
298.04166	0.4
298.07581	0.6
300.05774	0.8
303.04956	2.7
304.05280	5.8
305.05664	0.6
310.08078	2.0
316.05283	1.1
321.06015	3.5
321.09686	1.2
322.06317	6.4
325.07083	0.6
326.07346	1.4
327.08450	1.1
328.05212	1.9
328.08954	4.1
345.05832	0.5
346.06418	1.5
363.06958	1.7
364.07373	13.5
365.07578	1.3
376.07281	0.7
382.09784	0.9
393.09451	0.5
394.09583	7.9
395.09622	0.9
406.08719	2.1
424.09930	3.7
425.10468	0.4
427.18552	1.9
442.11810	7.4
442.20703	100.0
443.11057	0.9
443.20978	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03940	3.0
55.05504	16.6
57.03412	5.9
57.07069	5.4
60.55780	2.4
65.03941	2.0
67.05170	3.1
67.05495	33.4
69.03412	5.1
69.07056	23.5
69.60223	21.1
71.04984	11.0
73.02888	2.9
75.04469	2.3
79.05474	23.6
81.07043	57.3
82.07355	3.5
83.04964	6.0
83.08611	14.0
85.02891	18.4
85.06516	13.0
91.05472	27.5
93.07030	63.0
95.04963	14.2
95.08591	100.0
97.02857	4.7
97.06495	4.3
97.10146	8.0
99.08060	5.6
103.05433	2.5
105.06320	3.5
105.07009	49.4
107.04927	2.0
107.08575	83.8
108.08891	2.3
109.06473	8.8
109.10138	65.6
110.10487	2.9
111.04438	2.9
111.08057	8.0
111.11692	3.0
113.09619	3.5
115.03902	4.9
117.06995	8.1
119.07726	3.4
119.08566	64.7
121.06487	3.6
121.10125	66.5
123.08049	7.6
123.11681	27.3
125.09612	6.1
127.11156	3.6
128.06183	2.8
129.05455	4.8
129.06966	5.3
131.08548	27.3
133.04913	3.9
133.09158	3.5
133.10114	52.9
134.10484	3.9
135.08035	5.4
135.10736	4.0
135.11681	49.6
136.11913	3.9
137.09576	5.3
137.13258	10.1
143.08551	7.9
145.04990	2.8
145.06453	4.4
145.10104	35.8
147.04459	2.3
147.06432	4.7
147.08076	3.3
147.11668	39.5
149.09584	5.2
149.12224	3.3
149.13245	27.1
150.09941	2.2
151.11197	5.9
151.14771	3.1
155.08507	4.8
157.10126	12.8
159.08006	5.7
159.11678	34.2
160.12029	2.6
161.09625	3.0
161.13226	40.4
163.11168	3.4
163.14801	28.9
165.09126	3.8
165.12628	3.0
165.16528	2.3
169.10098	5.4
171.11667	10.0
173.13229	24.5
175.14798	31.5
177.12671	3.4
177.16356	18.2
179.14319	3.8
183.11632	5.1
185.13255	10.1
187.14787	23.4
188.15268	3.3
189.12770	2.8
189.16348	26.2
191.14299	8.1
191.17920	59.3
193.15880	4.7
197.13171	5.8
199.14766	10.2
201.12624	3.2
201.16368	25.9
203.14301	6.7
203.17932	25.9
205.15904	11.7
205.19511	10.1
207.17401	11.2
211.14835	2.7
213.16307	8.2
215.14417	3.1
215.17905	30.4
217.15843	5.9
217.19513	14.8
219.17398	9.2
221.19038	3.6
227.14427	3.2
227.17905	5.8
229.19466	5.8
231.17384	2.7
231.21019	4.2
233.18982	21.4
235.20171	2.4
241.19505	2.8
243.20993	4.0
245.22658	3.0
247.20688	3.3
257.22632	5.7
271.20792	2.6
271.24124	2.9
287.23639	2.8
297.25623	2.6
315.26840	2.8
349.21396	3.7
363.01120	2.1
369.27893	3.6
395.36932	3.6
405.35046	9.6
423.36478	72.5
424.36566	3.2
441.37955	72.9
442.30392	2.3
442.37738	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	441.3721
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03935	1.6
55.05494	5.9
57.07068	5.2
59.04977	1.1
60.35708	0.8
67.05495	15.2
69.07059	12.8
70.03795	3.6
71.04977	1.2
79.05482	10.9
81.07044	34.6
83.04961	2.5
83.08598	7.4
85.06517	1.9
88.62446	0.7
91.05452	10.8
93.07029	25.2
93.48097	0.8
94.07360	1.0
95.04935	2.8
95.08596	51.0
95.48112	0.8
96.08923	1.9
97.06535	3.0
97.10165	3.2
98.21420	1.5
99.08062	2.3
105.07017	23.9
107.08578	38.7
108.08923	1.1
109.06506	2.5
109.10139	34.6
111.08089	4.7
111.11664	1.4
113.05956	0.9
117.06996	4.6
119.08564	34.9
120.08902	0.8
121.06503	1.6
121.10129	29.9
123.08054	3.7
123.11687	12.9
123.12502	1.2
125.09592	5.6
127.11189	1.2
128.06221	0.9
129.07013	1.8
131.08548	12.5
133.10112	24.6
135.08073	4.0
135.11671	26.2
136.12001	1.2
137.09601	2.8
137.13240	12.2
137.14188	1.5
139.07600	1.0
141.06984	1.2
143.08549	5.2
145.10110	19.0
146.10579	1.1
147.11665	17.0
149.09610	3.3
149.13243	14.2
151.11122	4.4
151.14803	2.2
155.08559	2.4
157.10059	5.8
158.10883	0.9
159.08081	1.1
159.11668	17.3
161.09621	3.5
161.13222	15.8
163.11160	3.1
163.14801	13.7
165.12724	1.9
165.16391	1.4
169.10118	3.3
170.10738	1.2
171.11670	6.7
172.12325	1.2
173.09627	1.9
173.13228	13.9
175.11212	1.4
175.14792	16.0
177.12730	2.4
177.16370	8.6
179.14313	2.7
179.17975	1.2
183.11728	3.0
185.13261	5.6
187.14783	17.3
188.15257	1.0
189.12747	1.3
189.16354	23.7
190.16710	1.7
191.14313	2.3
191.17931	10.4
193.12187	1.2
193.15881	1.3
195.11720	1.2
197.13300	3.0
199.14836	5.7
201.12698	1.8
201.16380	10.8
203.14270	3.0
203.17920	15.2
205.15828	5.6
205.19560	3.3
207.17436	12.2
209.13315	1.5
211.14883	2.1
213.16385	4.4
215.14313	1.9
215.17952	8.7
216.18297	1.2
217.15898	2.5
217.19495	5.0
219.10091	1.2
219.13788	2.9
219.17413	6.5
223.14638	1.0
225.16354	1.9
227.17899	3.4
229.19492	4.6
231.17531	1.5
233.15388	3.5
233.19043	2.6
235.16969	2.9
237.14854	2.7
239.18037	1.4
241.19499	2.4
243.21049	3.6
245.18971	1.3
247.16946	2.2
253.19591	2.0
255.20975	1.3
257.22681	2.4
259.16913	2.1
269.22607	2.0
271.20551	1.0
271.24249	1.5
273.18420	1.4
283.24170	1.1
289.21710	1.2
295.23846	0.9
297.25784	1.6
315.26813	1.8
377.27975	1.1
377.32056	1.5
395.28622	4.4
395.33118	3.3
405.31262	2.6
405.35648	1.9
423.31760	11.5
423.36649	4.8
441.37839	100.0
442.38226	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	441.3719
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03917	1.2
55.01836	1.1
55.05505	6.5
57.07048	2.6
67.05489	19.4
69.03414	1.2
69.07060	11.0
70.07402	0.9
70.39024	3.4
70.39449	1.8
71.04965	1.9
79.05476	7.7
81.07044	21.8
81.25087	1.0
83.04964	1.0
83.08614	4.7
83.09062	0.9
83.27489	0.9
85.02921	1.8
85.06530	1.5
91.05474	7.3
93.06499	1.2
93.07037	16.5
94.07366	1.2
95.04951	2.1
95.08592	30.1
96.08920	1.3
97.06521	2.4
97.10146	2.4
98.20746	1.5
99.08044	1.0
103.05416	1.0
105.07016	20.1
106.07324	1.7
107.08575	32.6
109.06486	2.1
109.10137	100.0
110.10491	2.9
111.08044	2.4
111.11712	1.3
117.06961	3.5
119.08556	25.3
120.08891	2.1
121.10130	22.8
122.10473	1.2
123.08056	2.9
123.11695	9.3
129.06992	1.8
130.98756	1.1
131.08565	7.5
133.10112	21.0
135.08035	2.4
135.11659	14.9
137.09621	2.0
137.13231	4.0
143.08556	5.5
145.06381	1.4
145.10109	12.3
146.10370	0.9
147.11678	15.0
149.09616	1.9
149.13225	10.9
151.11156	3.1
151.14803	3.2
155.08479	1.4
157.10118	7.2
159.08197	1.1
159.11681	11.5
161.09563	2.1
161.13264	9.8
163.11252	1.0
163.14760	8.0
165.08997	1.0
169.10219	1.0
171.07973	1.3
171.11703	5.2
173.13232	9.4
175.14769	12.2
177.12714	1.4
177.16342	9.3
179.14288	1.4
183.11717	2.5
185.13214	4.4
187.14816	8.5
189.09299	1.1
189.16371	20.1
190.16838	1.2
191.14243	1.6
191.17957	9.9
193.15887	4.4
199.14792	5.2
201.12779	1.1
201.16374	10.9
203.14279	2.3
203.17934	13.2
205.15884	3.3
207.17407	1.6
211.14757	1.6
211.76593	1.2
213.16426	4.9
215.17897	9.9
217.15787	1.3
217.19463	3.7
219.17418	1.5
223.14835	1.2
223.16971	1.6
225.16200	1.2
227.14302	1.2
227.17891	17.4
229.19545	2.8
231.21042	1.2
239.17934	2.3
241.19423	3.0
243.21001	2.1
255.20909	1.9
257.22723	1.3
259.16812	1.9
261.18536	1.8
267.54102	1.0
267.65439	1.0
271.20615	1.4
273.18436	13.2
301.21634	1.2
332.20041	1.0
369.27853	1.3
377.31873	3.9
395.28680	1.1
395.33200	7.9
405.31055	1.6
405.35587	2.3
413.34137	8.5
423.32074	7.2
423.36209	11.1
441.26212	2.3
441.32568	14.8
441.38205	46.7
442.33575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3721
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.15849	0.5
55.05507	2.4
57.07061	2.1
62.10934	0.4
67.05500	4.7
69.03414	0.7
69.07059	6.1
71.25756	1.1
76.18628	0.5
77.60259	0.5
79.05481	2.1
81.06594	0.8
81.07045	10.2
83.04955	1.8
83.08612	2.2
85.06500	0.6
87.04416	0.7
91.05479	2.0
93.07037	5.9
95.04957	1.2
95.07990	0.9
95.08598	16.4
97.06524	0.8
99.08054	0.5
102.58840	0.5
105.07005	5.1
107.08578	10.2
109.06532	1.6
109.10136	10.1
111.08056	0.9
111.11729	1.0
117.07104	0.6
119.08559	6.1
121.06462	1.0
121.10126	9.5
123.08067	1.6
123.11701	5.7
125.09618	2.5
125.13306	0.7
131.08557	2.0
133.10110	6.8
135.08017	3.7
135.11658	8.6
137.09581	0.6
137.13219	3.6
143.08539	0.5
145.10126	2.6
146.10753	0.4
147.11670	4.2
149.09593	10.1
149.13231	3.1
151.14813	0.8
157.10204	0.6
159.11632	2.5
161.09624	0.7
161.13240	3.3
163.11179	1.9
163.14793	0.8
170.72589	0.6
171.11699	0.9
173.13242	2.4
175.11093	0.9
175.14804	2.8
177.12796	0.9
177.16368	2.2
185.13254	0.6
187.14806	2.0
189.16339	3.7
191.17953	0.9
199.14854	0.6
201.16267	1.2
203.17987	1.6
205.19461	0.9
206.77617	0.6
213.16409	0.7
215.17882	1.1
217.15776	0.5
217.19427	0.6
227.17973	0.6
233.18996	2.0
235.16895	3.0
235.49049	0.5
241.19572	0.8
247.20529	0.6
255.21017	0.8
269.22726	0.9
273.22266	0.8
285.22095	0.7
287.23599	2.7
342.98071	0.6
423.36661	2.4
441.37256	100.0
442.37622	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03948	1.8
55.01866	1.4
55.05499	13.3
55.05724	1.4
57.07069	7.1
59.05007	2.0
65.03959	1.4
67.05491	21.3
69.07058	19.3
69.07415	1.7
69.63784	1.3
70.99286	3.9
71.05002	3.2
71.08638	4.2
79.05487	15.3
81.07047	51.5
83.04978	1.5
83.08611	9.8
85.06538	9.9
85.10186	2.5
89.06055	4.5
91.05459	15.5
93.07033	44.9
95.04968	2.2
95.08597	98.1
97.06553	4.4
97.10157	8.1
99.08101	2.9
99.19446	1.3
105.07020	42.8
105.07678	2.8
107.08581	68.9
109.06525	2.6
109.10143	63.3
109.83552	1.2
111.08067	6.6
111.11721	2.7
113.09679	4.4
117.07062	3.9
119.08567	54.6
120.09008	1.5
121.06559	4.5
121.10126	61.7
122.10506	1.8
123.08139	3.5
123.11695	21.9
125.09628	6.9
129.07027	2.4
131.08548	14.3
133.08597	3.5
133.09093	2.3
133.10110	39.3
135.11678	52.6
136.12128	1.5
137.09648	3.2
137.13235	10.6
139.11186	2.6
143.08617	5.7
145.10097	25.8
147.11668	30.7
149.09729	1.8
149.13242	29.0
151.11241	3.9
151.14864	3.0
153.12741	1.7
157.10153	4.8
159.11670	31.1
160.12363	2.0
161.13237	37.0
163.11212	2.1
163.14803	32.7
165.09138	3.9
165.12767	3.4
169.10100	1.7
171.11769	5.3
173.13254	26.0
175.11386	1.6
175.14795	35.5
177.12776	3.0
177.16371	18.3
179.14392	4.5
179.17972	1.6
183.11748	1.6
185.13380	5.1
187.14798	21.5
187.16277	1.9
189.16356	27.8
191.14368	9.4
191.17928	65.0
193.15939	5.1
197.13387	2.2
199.14925	4.5
201.16345	24.3
203.14485	2.2
203.17929	25.5
205.16008	5.9
205.19463	11.2
205.21101	1.2
207.17407	9.0
209.11780	1.6
213.16286	7.2
215.14525	1.5
215.17926	29.9
217.19485	14.1
219.17366	10.8
219.21080	1.9
221.19093	3.7
227.18100	4.2
229.19678	6.0
231.17561	4.1
231.21211	4.6
233.15350	3.0
233.18951	25.6
241.19682	2.9
243.21254	5.4
245.19128	2.4
245.22755	2.4
247.20750	4.1
253.19681	1.5
255.21179	3.2
257.22824	4.2
259.20737	2.3
261.22296	3.6
269.22751	3.5
271.24362	3.1
283.24399	1.8
287.23871	1.9
289.25345	1.8
295.24246	1.6
297.26047	1.8
303.27209	1.3
311.27411	2.8
315.18060	3.2
327.27252	2.4
353.28577	1.9
367.25955	1.4
395.36954	8.5
397.34930	2.0
405.35114	7.4
411.36771	1.8
413.37885	2.5
423.36429	86.7
424.36844	4.3
441.37592	100.0
442.37778	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	441.3722
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05508	10.1
57.03436	1.3
57.07071	7.0
59.05003	1.4
67.05499	19.0
68.74678	1.3
69.07066	16.5
69.71754	8.8
69.72165	2.7
71.05001	1.7
71.08627	1.7
79.05471	12.8
81.07045	55.1
83.08620	9.1
85.06561	5.5
86.14400	1.5
91.04948	2.4
91.05453	10.7
93.07030	32.5
95.04964	1.3
95.08595	100.0
96.08926	2.3
97.06548	3.9
97.09641	1.3
97.10150	7.3
100.10733	1.7
105.07020	27.8
105.07701	1.7
107.08578	46.8
108.62638	1.3
109.06520	2.5
109.09403	3.2
109.10142	52.8
111.08092	4.4
111.11697	2.5
113.09659	2.6
117.07038	3.3
119.08569	38.4
119.09364	2.5
120.00013	1.3
121.06548	1.9
121.10130	44.9
123.08080	2.9
123.11686	28.6
125.09661	3.9
129.07005	2.1
131.08542	12.0
131.51555	1.3
133.10123	25.5
135.08089	1.9
135.11667	35.4
137.13240	22.3
139.11198	1.2
143.08572	3.0
144.09328	1.4
145.10115	19.3
145.11189	2.0
147.11678	22.5
147.12692	1.6
149.09647	1.2
149.13243	23.8
151.14818	3.0
155.08557	1.5
157.10190	4.4
159.11685	22.1
159.12906	1.7
161.13243	25.7
161.14481	2.1
163.11227	2.2
163.14799	22.2
163.15926	1.9
165.12796	2.3
169.10167	1.5
171.11763	4.3
173.13235	17.1
175.14803	23.3
177.12779	3.5
177.16336	13.6
179.14362	3.5
179.18047	5.9
183.11703	1.8
184.97206	1.6
185.13324	3.2
187.14783	11.4
189.16362	20.9
191.14371	4.1
191.17900	32.7
193.15816	3.2
197.13324	1.7
199.14818	6.0
201.16348	13.1
203.14351	1.6
203.17928	16.9
205.15987	4.2
205.19411	6.5
207.17509	5.6
213.16473	4.5
215.14503	2.3
215.17924	19.5
217.15993	1.7
217.19496	7.9
217.68036	1.4
219.13794	1.9
219.17482	3.9
221.19119	1.8
225.16425	1.6
227.17928	6.4
229.19592	5.7
231.17528	2.8
231.21202	4.1
233.15433	1.4
233.18964	17.4
241.19394	1.5
243.17534	4.7
243.21031	3.2
245.19150	5.0
247.20729	2.8
255.21097	2.3
257.22546	2.6
259.24332	1.7
261.22232	1.7
271.24197	2.9
295.38858	1.5
301.25439	1.5
311.27454	2.0
365.31931	1.9
395.36804	15.8
397.34744	1.7
405.35211	7.8
413.37930	4.4
423.36304	60.1
424.36911	2.3
441.37524	68.9
442.37750	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	441.3354
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
52.60718	2.0
53.37624	2.0
55.05495	10.6
57.07050	4.5
67.05493	20.8
69.07063	26.1
69.85802	15.7
78.74120	2.2
79.05470	22.5
81.06596	3.4
81.07047	54.3
83.08600	13.3
85.06535	2.1
88.24503	1.8
91.05461	26.1
93.07027	41.2
95.04953	2.7
95.08591	76.3
97.06535	2.3
97.10133	5.2
99.07975	2.2
105.07017	56.2
107.08575	68.3
108.08904	2.7
109.10137	47.6
111.08060	2.2
117.07010	5.6
119.08566	70.1
120.08839	3.0
121.06476	2.3
121.10125	66.7
122.10433	2.0
123.08035	6.2
123.11685	16.9
125.09637	5.5
131.08546	18.2
133.10112	54.8
135.08061	4.1
135.11662	48.5
137.09637	2.9
137.13226	5.4
139.11169	3.0
143.08516	7.3
145.10106	32.2
146.10428	2.7
147.11676	42.2
149.09618	3.0
149.13232	32.6
151.11194	3.5
153.09087	3.9
157.10094	6.3
158.10851	3.5
159.08002	2.5
159.11661	22.1
161.09485	2.5
161.13239	25.6
163.07486	3.5
163.11096	3.3
163.14793	25.9
165.09135	3.3
169.10150	2.6
171.11697	9.7
173.09581	2.5
173.13234	22.9
175.14789	43.0
177.09050	4.4
177.16374	42.5
179.10675	2.9
183.11758	4.3
185.13275	7.8
187.14789	52.5
189.12782	3.0
189.16357	47.1
191.10519	3.4
191.14272	15.1
191.16173	2.9
191.17874	19.6
193.15848	4.5
197.13237	4.9
199.14816	5.5
201.12711	4.4
201.16403	18.2
203.14136	3.3
203.17914	77.6
204.18230	3.0
205.15894	9.3
205.19536	3.9
207.17506	2.4
211.14909	2.8
213.16324	5.9
215.14278	3.2
215.17972	9.2
217.15834	4.0
217.19475	3.2
219.13718	18.8
219.17369	2.1
221.15224	4.3
225.16434	3.9
227.17860	4.1
229.19507	7.8
231.17432	3.0
231.20988	4.8
233.15317	13.5
237.14784	20.0
243.21092	3.1
245.15320	2.7
247.16936	3.3
251.16347	10.4
257.22675	3.6
259.16959	2.2
261.18597	3.6
271.24249	3.5
275.20157	2.6
277.17969	2.8
344.57529	2.4
377.04117	2.3
377.31985	7.1
379.33633	3.9
395.33035	9.8
397.34668	3.9
405.31369	7.2
423.32550	34.0
424.32562	3.3
441.19363	7.4
441.33560	100.0
442.34039	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	441.3356
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03919	1.4
55.05504	4.4
57.07047	1.3
67.05492	9.6
69.07053	10.7
69.95504	3.7
69.95913	2.4
71.04964	1.2
72.54281	0.9
74.81731	1.0
79.05476	7.2
81.07047	20.0
83.08601	4.9
90.28909	0.9
91.05460	13.6
93.07027	20.2
95.04958	2.9
95.08594	34.1
97.10146	1.9
99.08086	1.5
105.07012	30.9
106.09274	0.9
107.08577	30.3
109.06504	1.0
109.10137	15.2
111.11710	1.0
117.06956	1.8
119.08563	37.1
121.10124	32.7
123.08057	4.7
123.11684	7.8
125.09652	1.6
129.07027	1.1
131.08519	7.0
131.90074	1.0
133.10107	43.2
135.11684	14.6
137.13231	3.1
139.07484	1.1
143.08539	1.9
145.10104	10.2
147.11665	27.5
149.09613	2.2
149.13232	16.0
150.13649	1.2
153.09137	1.6
157.10127	3.0
158.10838	1.4
159.11693	8.6
161.13239	9.4
163.11180	1.7
163.14807	17.6
167.10739	1.4
171.11635	2.5
173.13249	13.8
175.11195	1.0
175.14793	21.3
175.16142	1.5
177.09082	2.0
177.16356	17.3
179.10721	1.1
179.14459	1.2
181.12152	1.6
183.11697	1.1
185.13254	1.5
187.14792	21.8
188.15181	1.2
189.12849	2.5
189.16356	100.0
190.16754	3.2
191.10645	1.3
191.14348	4.4
191.17908	18.4
193.15924	1.0
199.14806	1.8
201.16356	4.7
203.17921	42.4
204.18333	1.9
205.15860	4.0
209.15544	1.3
211.14786	1.5
213.16354	1.4
215.17967	2.6
219.13525	1.2
219.17372	1.2
223.16998	2.2
231.17256	1.4
231.21103	1.7
233.15340	4.8
235.16850	0.9
239.18007	1.0
241.19409	1.2
247.17030	1.7
369.28085	1.1
381.31488	2.8
405.31424	2.0
413.33917	1.3
423.28156	1.0
423.32556	11.1
434.31583	1.0
441.33615	44.7
442.33826	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	441.3359
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03932	2.9
55.05501	10.8
57.07051	4.2
65.03922	1.4
67.05492	14.9
69.07053	13.5
70.40153	4.0
70.40541	2.3
79.05483	21.0
81.07048	27.5
83.04967	4.1
83.08595	7.5
85.02908	2.9
85.06520	4.1
91.05458	23.0
93.07030	43.5
95.04969	3.7
95.08590	38.9
97.06527	3.3
97.10147	2.9
99.08080	20.6
101.06003	2.1
102.02807	1.1
105.07011	49.6
107.04868	1.3
107.08578	100.0
108.08919	1.2
109.06503	5.1
109.09389	1.7
109.10143	24.8
111.08060	2.9
112.52335	1.1
113.05965	1.6
117.06989	7.2
119.08563	92.5
121.06486	2.0
121.10125	46.5
122.10487	1.5
123.08044	7.5
123.11680	11.5
125.05919	1.5
125.09608	3.7
127.07564	1.8
129.06996	2.0
131.08542	33.5
133.10107	59.3
134.10429	1.4
135.08029	18.5
135.11664	42.7
137.09605	4.7
137.13252	6.7
139.11148	1.5
143.08522	10.2
144.09406	2.2
145.10100	34.1
146.10645	1.5
147.08037	3.9
147.11659	60.3
148.11990	2.6
149.09621	6.5
149.13219	19.1
151.07512	10.5
151.11125	3.1
151.14838	1.9
155.08496	2.2
156.09319	2.3
157.10107	11.9
158.10770	2.0
159.08118	2.0
159.11671	27.5
160.12061	1.3
161.09587	7.5
161.13226	33.3
163.11159	12.1
163.14786	18.2
165.09007	1.7
165.12749	2.1
167.10696	1.6
169.10120	4.0
170.10895	2.1
171.11693	8.0
172.12468	1.3
173.09554	3.3
173.13235	26.1
174.50157	1.3
175.11168	8.5
175.14810	22.9
177.12711	3.1
177.16379	10.4
179.14294	8.7
183.11667	5.2
185.13229	14.2
187.11194	3.7
187.14781	47.7
188.15227	1.6
189.12720	3.5
189.16344	24.7
191.10612	2.5
191.14275	8.7
191.17865	6.4
193.12224	2.2
193.15775	1.6
195.11574	1.9
197.13203	4.2
199.14836	9.3
201.12740	4.1
201.16360	34.9
202.16721	1.7
203.14288	14.3
203.15897	1.6
203.16289	1.6
203.17944	14.2
204.18274	1.3
205.15874	12.5
207.13820	1.8
207.17401	2.4
209.13182	2.5
211.14780	5.1
213.16383	5.1
215.14316	3.9
215.17871	6.4
217.15848	8.6
219.13747	6.9
219.17410	4.6
221.15381	5.5
223.14783	1.8
225.16328	2.7
227.17862	2.5
229.15858	7.3
229.19402	2.6
231.17387	5.1
232.28500	1.2
233.15393	3.6
235.16972	3.5
237.14647	6.7
241.19502	3.1
243.17404	6.8
245.19029	1.4
247.16911	3.2
255.17223	1.3
255.21115	1.9
261.18506	7.4
269.22470	2.2
283.20633	1.3
287.20203	2.0
296.81219	1.2
323.27374	1.4
335.23660	1.6
351.26849	4.9
353.24649	1.8
363.26663	2.3
369.27878	8.0
381.31686	1.6
387.30365	3.1
395.33096	3.9
405.31470	24.0
423.32516	59.7
424.32776	4.2
441.33572	53.0
442.33987	2.0
460.31134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03671	1.1
53.03927	3.1
55.05503	12.2
57.07054	4.2
65.03919	2.4
67.05503	17.7
69.07058	23.9
70.97281	1.6
70.97620	2.6
71.04958	2.0
79.05470	14.3
81.07048	40.6
83.04925	1.3
83.08621	8.2
85.06535	1.6
91.05461	20.6
93.07032	48.7
95.04979	3.0
95.08595	69.0
96.08928	1.3
97.10152	5.3
99.08077	3.7
105.07022	46.6
107.08582	75.0
108.08894	1.6
109.06483	2.9
109.10152	32.4
111.08054	2.9
117.07015	3.6
119.08570	56.9
121.06461	3.9
121.10131	74.0
122.10482	1.6
123.08064	4.1
123.11668	11.0
125.05901	1.3
125.09642	1.4
129.06989	1.8
131.08559	15.1
133.06499	1.3
133.10118	62.7
134.10435	2.3
135.08011	4.4
135.11682	60.8
136.11998	1.4
137.09605	2.5
137.13255	2.2
143.08553	3.4
144.09364	2.8
145.10106	25.1
145.11201	2.0
146.10480	1.3
147.08026	1.6
147.11670	40.9
149.09590	5.1
149.13240	79.8
150.13557	2.5
151.07590	1.7
151.14813	1.9
157.10071	6.1
158.10858	5.8
159.08051	1.7
159.11664	22.4
160.12363	2.2
161.09630	1.5
161.13242	18.3
163.07549	4.0
163.11194	5.4
163.14807	63.1
164.15092	2.1
165.09149	2.7
170.10838	1.4
171.11638	4.1
172.12352	1.7
173.13248	43.1
174.14047	1.5
175.11249	2.2
175.14803	49.6
176.15172	1.8
177.09111	2.6
177.12766	4.0
177.16373	60.3
178.16724	2.6
179.14175	1.3
183.11676	2.1
185.13225	5.9
187.14780	35.8
188.15173	1.5
189.12724	3.4
189.16356	48.9
190.16698	2.5
191.14290	22.6
191.17938	19.2
193.15874	2.1
199.14822	4.0
201.12686	2.7
201.16345	19.8
203.17929	81.5
204.18292	2.5
205.12231	9.2
205.15898	6.1
205.19389	5.6
213.16312	3.1
215.14354	2.9
215.17972	3.6
217.15858	2.7
217.19539	3.7
219.13779	70.0
219.17358	2.8
219.20926	2.0
220.14264	2.6
221.15463	1.7
223.13268	1.5
223.16953	1.2
227.17953	2.7
231.13814	1.7
231.17522	4.5
231.20934	2.3
233.15346	21.4
237.14833	85.5
238.15227	4.1
241.19632	2.3
245.15440	3.5
247.16942	4.3
249.15109	1.1
251.16425	9.3
259.16812	2.1
263.16443	3.8
265.17712	1.7
271.24173	2.4
291.19510	1.7
356.85947	1.2
377.31897	2.5
395.33124	7.5
397.34799	3.8
405.31342	5.0
423.32410	16.6
441.33609	100.0
442.33954	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.336
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
52.49478	1.4
53.03927	1.5
55.05503	8.4
57.07075	10.4
67.05496	18.5
69.07056	18.2
69.65035	14.0
71.08626	3.0
72.26118	1.5
75.56099	1.5
78.95158	1.4
79.05479	11.8
81.07047	67.5
83.08614	8.8
85.06099	1.8
85.06535	9.6
91.05461	9.9
93.07013	15.9
95.04969	2.5
95.08595	100.0
95.98751	1.6
96.08921	2.6
97.10159	5.7
99.08087	5.5
105.07031	17.0
107.08585	30.6
109.06479	1.5
109.10146	40.9
110.10468	1.7
111.08035	2.5
117.07008	4.4
119.08578	24.6
121.06466	1.8
121.10120	25.8
123.11688	30.4
127.07541	2.8
127.86059	1.4
129.06992	2.4
131.08563	12.3
133.06485	2.8
133.10097	20.1
135.08055	2.5
135.11690	18.0
137.13237	51.9
142.07797	1.7
143.08543	7.1
145.10100	11.4
147.11687	17.5
149.09575	3.0
149.13214	16.8
151.14772	7.3
155.08490	2.8
157.10075	8.4
159.11699	17.0
161.09627	2.5
161.13240	10.6
163.11115	1.8
163.14777	8.6
169.10135	3.9
171.11662	9.8
173.13228	11.8
175.07626	1.4
175.11237	4.5
175.14781	8.6
177.12730	14.0
177.16388	4.1
179.17949	6.1
183.11642	5.5
185.13229	10.4
187.11282	2.6
187.14812	13.6
189.12790	7.2
189.16324	9.1
191.10670	2.1
191.14297	4.5
191.17870	10.6
193.19548	2.3
195.13792	3.7
197.13280	6.0
199.14761	9.0
201.12704	5.0
201.16357	10.1
203.14310	7.5
203.17915	8.4
205.15904	3.6
205.19572	7.2
207.17451	1.9
211.14882	2.9
213.16281	3.3
215.14276	10.3
215.17870	2.0
217.15921	5.1
217.19434	2.1
219.13797	6.5
219.21100	3.5
223.13240	29.6
225.16388	3.1
227.17996	7.1
233.15393	1.6
237.14720	2.3
239.18021	4.0
241.19409	2.1
243.13728	2.7
243.17467	3.6
245.15262	3.2
245.19026	3.1
249.14845	2.1
253.19514	2.9
255.17578	2.2
257.19046	2.5
261.14865	7.0
263.15948	1.7
265.18744	1.9
269.18887	2.0
271.20621	2.3
273.18469	4.8
289.17868	2.0
299.20081	2.1
339.26993	2.1
377.32269	7.8
395.33023	14.4
405.31476	5.3
423.32532	21.5
441.33429	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	441.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
55.05501	15.6
57.03408	3.4
57.07055	5.6
60.41845	1.5
67.05492	23.3
69.03433	2.8
69.07056	20.9
71.04973	4.2
79.05477	18.1
81.06592	2.8
81.07039	36.0
83.08607	11.0
85.02896	2.8
85.06506	1.8
91.05461	16.9
93.07028	30.5
95.04961	5.7
95.08588	43.2
96.08933	3.0
97.06516	3.1
97.10146	7.5
99.08080	1.8
103.05444	4.2
105.07008	27.9
106.07452	2.5
107.08574	47.4
108.08938	3.0
109.06485	4.8
109.10129	47.8
110.10466	3.8
111.08059	3.4
115.05431	2.2
117.06964	9.1
119.04971	1.9
119.08559	42.2
120.08904	2.5
121.06499	3.0
121.10126	36.0
122.10471	2.1
123.08056	3.6
123.11675	14.4
125.09608	8.0
127.11177	9.6
128.06198	2.2
129.07031	11.1
131.04903	2.3
131.08559	16.0
133.10100	31.4
135.08005	5.1
135.11671	29.8
137.05934	3.0
137.09563	2.1
137.13229	7.4
141.06987	3.2
143.08562	10.3
143.10646	5.9
145.06436	5.8
145.10088	19.8
147.04346	2.9
147.08012	2.6
147.11664	24.0
149.09555	3.0
149.13231	14.3
150.13557	1.8
151.14789	12.1
153.09082	2.2
155.08501	5.5
156.09264	1.8
157.10109	34.0
159.08067	2.0
159.11693	23.0
161.09595	2.2
161.13261	14.4
163.07474	2.7
163.11137	1.8
163.14804	15.5
165.09138	2.3
165.12708	2.0
167.08505	2.1
169.10130	3.5
171.07974	2.1
171.11664	9.5
172.12407	1.9
173.09673	3.1
173.13210	15.3
175.11108	2.3
175.14793	24.6
177.09102	3.1
177.12749	2.0
177.16376	12.2
181.10110	3.6
181.15829	4.7
183.11667	5.4
185.13249	8.2
186.13562	2.1
187.14760	16.3
188.15416	1.8
189.11166	3.2
189.12787	2.2
189.16356	23.0
191.14311	3.9
191.17917	12.8
193.15828	14.5
195.11629	1.9
197.13213	7.1
199.11145	1.8
199.14771	15.2
201.16357	24.2
203.17955	10.8
205.15848	6.3
207.17360	3.0
211.14787	4.0
213.12753	1.9
213.16353	17.1
215.14488	10.4
215.17921	23.7
217.12300	3.3
217.15854	2.0
217.19458	3.8
219.13896	2.8
219.17447	2.8
223.14809	2.0
225.16336	2.7
227.17918	100.0
228.18314	5.6
229.19473	6.9
229.49464	2.3
233.15237	2.1
233.19020	3.6
239.17947	4.4
241.12108	2.2
241.19476	6.7
247.16898	3.9
253.19550	3.6
255.21114	2.3
257.22586	2.3
259.16910	14.9
261.18491	10.0
273.18439	94.6
274.18793	5.1
285.18307	2.0
287.20071	4.3
301.21350	2.4
321.21957	2.6
321.25598	2.6
332.43201	2.0
349.21570	5.7
367.22766	9.0
368.22745	2.0
369.27069	3.3
377.32135	11.7
385.23621	3.3
395.33179	29.9
405.30939	3.0
411.32611	5.7
423.32120	27.8
423.37476	3.0
424.91910	1.6
441.25613	21.6
441.33212	13.7
441.37360	8.2
442.26559	3.7
442.33752	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	441.3357
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03933	1.7
55.05500	8.3
57.03398	1.1
57.07067	5.9
67.05177	1.3
67.05491	13.5
69.06727	1.3
69.07056	13.5
69.95294	0.9
70.14034	4.2
71.04977	1.2
71.08597	1.3
77.05628	0.9
79.05481	10.3
81.07041	39.7
82.07362	1.7
83.04970	2.3
83.08601	6.1
85.06486	1.4
91.05470	11.4
93.07029	27.7
95.04920	2.5
95.08591	40.0
97.06507	1.7
97.10138	3.0
105.06321	2.0
105.07010	25.0
107.08578	45.3
108.08871	1.0
109.06494	2.4
109.10139	27.3
111.08066	2.1
111.11703	1.4
117.06990	3.2
119.07723	1.3
119.08561	23.3
121.06487	1.6
121.10119	30.9
122.10466	1.8
123.08022	3.2
123.11688	19.6
125.09602	9.6
128.06207	1.3
129.06973	1.9
131.08543	11.2
133.06552	1.0
133.09163	1.4
133.10109	23.0
134.10425	1.3
135.08051	2.5
135.11670	25.2
137.13237	13.9
139.11124	3.6
141.06947	1.1
143.08553	4.6
145.10103	17.1
147.11676	16.4
148.11952	1.3
149.13245	15.4
150.13585	0.9
151.07509	1.0
151.11113	3.2
151.14729	2.6
155.08525	1.1
157.10117	6.5
159.11673	12.7
161.09601	1.8
161.13222	14.9
163.13499	1.4
163.14796	21.0
165.09041	0.9
165.12677	2.2
165.16365	1.4
169.10088	2.5
170.10786	1.2
171.11623	7.2
173.13258	12.1
175.14792	17.7
177.09134	1.9
177.12698	1.3
177.16370	12.2
179.14304	1.5
179.17899	1.2
181.15868	11.3
183.11739	2.2
185.13257	7.7
187.14796	20.9
188.15080	1.0
189.12726	1.1
189.16365	12.6
191.14244	3.0
191.17899	6.0
193.15851	6.1
197.13196	2.7
199.14729	7.2
201.16377	17.2
203.14256	1.4
203.17914	9.6
205.12198	2.6
205.15886	2.5
207.17378	3.7
211.14742	2.4
213.16371	11.6
215.14397	1.2
215.17897	11.5
217.19421	1.9
219.13747	4.6
219.17383	1.9
221.15312	1.9
225.16345	2.0
227.17876	3.0
229.19505	2.3
231.13869	1.3
231.17349	1.6
233.15302	3.5
237.14682	2.1
239.17903	2.9
241.19466	3.6
243.21072	2.5
245.15306	2.0
247.16936	1.8
250.01860	0.9
253.19478	1.1
255.21021	1.6
259.17032	4.5
261.18341	2.2
269.22534	3.3
295.24188	4.4
323.27179	1.1
337.28845	1.5
341.24606	2.8
349.28983	2.7
351.30359	3.5
355.26059	1.1
369.27847	2.2
377.32022	1.9
383.29297	1.3
387.30185	1.0
395.29166	3.0
395.33334	14.2
396.33148	1.1
397.30902	3.9
405.31473	2.4
411.32492	4.0
423.32184	9.5
423.37497	1.2
441.33481	100.0
442.33820	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	441.2993
Annotation	CHEBI:69411
Peak:m/z	Relative Intensity
53.03932	1.2
55.01857	0.9
55.05493	5.5
57.03418	1.3
57.07066	1.6
65.03900	1.2
67.05490	8.9
68.56751	0.7
69.03407	0.7
69.07048	7.3
70.14765	3.1
71.04974	1.0
71.08604	1.1
79.05474	6.7
81.02348	0.7
81.07039	23.7
83.08600	4.7
83.34666	0.8
85.06521	7.4
91.05459	7.2
93.07029	13.9
95.04950	2.2
95.08593	19.6
97.10118	2.0
98.20767	1.4
99.08073	3.3
103.54995	0.9
105.07016	15.6
107.08572	36.3
109.06496	2.0
109.09389	1.1
109.10129	16.7
117.07003	5.9
119.08557	19.4
121.06492	1.8
121.10121	17.9
121.92777	0.8
123.08067	2.3
123.11696	9.5
125.09569	1.4
128.06175	1.0
129.06972	3.2
129.22163	0.7
131.08539	12.7
133.10112	18.7
135.08038	1.9
135.10725	1.4
135.11665	16.7
137.09583	4.1
137.13203	3.6
142.07797	0.9
143.08554	6.5
145.10104	15.5
147.08009	2.1
147.11642	11.2
149.13243	8.2
151.11191	4.8
155.08511	3.0
156.09282	0.8
157.10085	10.9
158.10849	0.7
158.62512	0.8
159.08110	1.3
159.11649	10.6
161.09579	1.8
161.13235	9.2
163.11133	1.9
163.14798	7.4
165.12781	1.6
168.09373	0.9
169.10136	5.2
171.11664	10.5
173.09636	5.0
173.13255	11.3
175.11205	2.8
175.14767	7.0
177.12723	2.9
177.16330	3.0
179.14302	1.2
181.10109	2.1
183.11615	6.7
184.39507	0.7
185.13213	11.5
187.11162	5.4
187.14787	12.5
189.12643	3.9
189.16333	6.3
191.14169	1.8
191.17955	1.8
193.10127	1.6
193.12181	0.8
193.15828	1.1
195.11661	3.8
197.13205	6.5
199.11195	3.2
199.14825	6.8
200.14838	0.9
201.12663	3.6
201.16351	9.0
203.14272	2.9
203.17921	2.6
205.12233	0.8
205.15813	3.0
207.11609	1.3
209.13245	2.5
211.14801	5.0
212.79564	0.9
213.12737	3.7
213.16319	4.9
215.14314	4.6
215.17885	1.7
217.15817	2.1
219.13710	1.2
219.17189	1.0
221.13321	1.5
223.14934	4.0
225.12740	1.1
225.16267	3.9
227.14230	2.4
227.17867	3.8
229.12079	1.0
229.15869	1.7
231.13850	1.0
231.17480	1.0
233.15526	1.0
235.14975	1.3
237.16348	3.6
239.14276	2.0
239.17828	3.8
241.15805	2.7
241.19482	2.2
243.13701	1.3
243.17407	3.5
245.15268	1.1
245.19217	1.1
251.18001	2.3
253.15712	1.5
253.19557	4.3
255.13728	0.8
255.17363	2.7
255.20869	0.8
257.19012	3.6
261.14667	1.1
263.18051	1.1
265.19492	1.7
267.17416	1.6
267.21140	1.1
269.15936	1.8
269.18958	33.7
270.19473	1.1
271.16846	1.4
271.20889	0.9
273.14755	2.2
273.18326	0.8
279.21140	2.7
281.19046	0.9
283.16895	2.0
283.20447	1.7
285.18524	1.0
287.16418	1.5
289.17734	1.6
295.20511	2.3
297.21909	1.9
299.16318	1.8
301.17905	1.8
301.21280	1.1
303.20859	2.7
307.20743	0.9
311.19925	1.4
315.19495	1.1
319.24084	1.1
321.22055	2.6
323.20087	1.1
325.21594	1.3
329.21030	1.9
333.25476	1.6
341.20963	1.0
349.21518	1.5
359.27213	11.8
367.22525	3.6
377.28314	29.0
395.29340	10.9
405.27768	13.0
411.28809	5.2
423.28812	55.9
424.29257	3.1
441.29883	100.0
442.30701	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45861	0.4
53.00320	0.4
55.02991	2.5
55.05494	2.2
60.05642	2.4
60.08155	1.0
69.03403	0.6
70.06589	2.6
71.45554	0.6
71.45875	0.5
72.08143	17.3
77.19827	0.3
80.01354	0.6
81.03389	0.7
82.02924	0.9
84.08125	0.4
85.02888	1.4
86.09702	1.1
87.70908	0.3
89.03901	1.3
89.10767	0.4
91.05461	2.6
92.66770	0.3
95.04961	0.6
97.02872	0.6
97.07639	15.7
98.02397	2.5
98.06048	1.6
99.00814	2.2
99.04452	0.9
104.10727	2.9
107.04923	3.2
109.02893	0.7
110.02386	29.7
114.10281	8.7
115.08681	1.8
116.07078	0.9
117.03342	2.0
119.04920	5.1
121.02865	1.8
122.06036	0.5
123.04431	0.6
124.05096	0.5
124.07578	0.7
127.03881	0.7
128.03418	1.9
129.03539	0.3
129.10329	0.4
130.08621	0.7
131.04884	0.5
131.12904	3.3
133.06461	0.4
135.04405	2.9
140.08163	0.9
145.02820	4.8
145.06424	1.0
146.17213	0.5
147.04387	15.9
147.63647	0.4
149.05974	0.5
151.08762	0.4
152.07047	35.9
152.07990	1.4
153.07390	0.5
155.04846	0.5
161.06122	0.5
163.03876	16.9
164.04242	1.2
166.09746	1.1
169.09692	2.8
170.08099	5.7
171.04451	0.7
173.05928	0.6
175.03915	0.5
177.05463	3.5
191.08496	0.6
193.04980	0.6
194.09225	24.9
195.09592	0.6
199.03885	1.7
200.68503	0.3
211.07413	0.4
212.08324	2.8
212.10170	0.6
213.09090	1.9
217.13387	1.0
218.11765	1.3
219.08208	0.6
223.07539	2.5
229.04951	0.5
237.09062	3.2
247.07571	1.4
251.07034	7.3
251.09700	0.5
260.13965	0.8
265.08545	1.5
267.10110	0.7
277.16544	2.4
279.08569	0.7
280.75186	0.4
285.03821	0.4
292.09714	1.4
293.07980	4.8
321.06097	0.6
363.16830	0.8
364.15485	1.4
381.18222	0.6
382.02679	0.4
406.17523	1.4
424.18842	1.7
434.80609	0.4
441.21295	100.0
442.21005	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
54.51936	1.5
55.01863	3.9
55.05502	7.2
55.05730	1.4
57.03424	17.0
59.04989	1.7
61.02908	4.6
67.05493	13.5
69.03418	16.4
69.07058	5.8
69.68708	1.3
71.01340	3.7
71.04981	30.2
71.79248	1.9
73.02905	22.3
75.04471	8.0
79.05481	7.6
81.03384	4.4
81.07043	19.8
83.04967	9.0
83.08617	3.8
85.02894	100.0
85.06535	1.4
87.04461	4.6
91.05461	10.9
93.07021	18.6
95.04957	17.2
95.08599	22.2
97.02877	32.8
97.06491	3.0
97.10163	2.4
99.04446	1.9
99.08117	1.7
103.03905	2.2
105.07018	16.0
106.07365	1.6
107.08572	23.2
107.09238	2.4
108.08901	2.2
109.02808	2.2
109.06509	5.4
109.10143	23.2
110.07150	1.5
111.04420	9.1
111.08017	2.0
113.02322	1.5
113.05945	1.8
115.03916	29.4
115.05383	1.3
117.06979	3.2
119.04888	1.8
119.08558	20.3
121.06493	6.5
121.10129	18.9
123.08099	2.6
123.11680	10.2
125.09586	2.1
127.03894	11.6
129.05463	25.9
129.06982	3.9
131.08536	8.0
133.04941	14.7
133.10110	16.6
135.08051	3.6
135.11652	13.5
137.13229	3.1
139.03873	2.3
143.08549	4.8
145.04950	7.4
145.10107	10.3
147.06497	16.5
147.08028	4.2
147.11644	13.3
149.09598	5.1
149.13226	6.9
151.07457	2.2
155.08644	1.8
157.04982	1.9
157.10104	5.5
159.08032	3.6
159.11639	10.9
161.09598	2.1
161.13240	6.5
163.04033	1.5
163.05991	4.4
163.11165	1.8
163.14822	4.1
165.07605	1.8
165.08998	2.0
165.12735	1.7
169.05048	1.6
169.10121	3.1
171.06572	1.8
171.11696	6.9
173.09662	2.6
173.13297	7.5
175.11171	1.7
175.14809	6.5
177.16409	2.2
183.11694	2.3
185.13249	3.1
187.11136	3.1
187.14825	6.5
189.16412	2.9
191.17918	2.7
195.11607	1.7
197.13206	3.3
199.11212	1.9
199.14787	4.3
201.12708	2.2
201.16370	5.0
203.17940	5.2
205.15897	2.1
207.06607	2.2
207.17616	1.5
211.14810	1.9
213.16351	4.2
215.17957	3.7
217.07008	1.8
219.13834	1.7
225.07497	9.6
225.16403	2.5
227.14381	2.9
227.17868	3.5
229.19533	2.3
233.15239	2.5
241.07030	5.4
241.15964	1.9
243.08562	3.4
254.39894	1.8
259.08124	3.3
259.16995	2.1
261.18558	2.3
265.19580	1.7
279.10712	8.1
295.10178	3.5
304.08566	1.5
315.23178	2.0
352.27991	1.7
395.29236	13.0
397.31030	3.1
423.28439	8.9
440.35757	3.5
441.29767	30.9
441.35648	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	440.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01856	1.8
55.05488	1.8
57.03438	0.7
57.07074	0.6
62.17555	0.4
67.05492	0.5
69.03423	2.1
69.07053	1.6
69.45587	0.4
69.69393	1.3
69.69817	2.5
70.02926	0.7
70.06583	7.2
71.04964	0.8
72.04501	2.5
72.08154	1.2
73.02894	1.9
79.05482	1.2
81.03402	6.7
81.05791	0.5
81.07021	0.6
83.04964	0.8
83.07336	0.9
84.08112	0.7
85.02894	4.6
85.06527	1.0
86.09689	1.5
89.03893	3.9
90.05546	4.8
91.05450	1.4
93.03387	0.6
95.04948	1.4
96.08111	9.7
97.02867	2.0
98.02406	2.5
98.09681	13.8
98.28779	0.5
99.04414	2.0
100.03941	0.9
103.03912	1.4
103.05500	0.5
107.04950	2.7
109.02851	6.7
110.02370	0.6
113.06030	0.5
114.09150	1.4
114.10277	1.1
116.03419	2.5
116.10709	94.9
117.03368	5.2
117.11040	0.8
119.04910	1.2
121.02832	0.7
121.06438	0.6
124.07572	3.1
127.03886	3.1
132.06514	1.3
135.04391	15.3
142.08606	2.4
145.02832	12.1
145.04915	1.6
145.06436	0.4
147.04381	7.0
150.62856	0.5
152.07059	1.0
153.01779	0.5
158.11844	0.7
159.04430	0.6
160.09671	0.9
161.05933	0.5
163.03877	95.6
164.04184	1.6
166.08665	0.6
169.04945	0.8
170.46193	0.4
172.09691	0.8
173.05885	0.6
174.11194	1.0
177.01776	0.7
177.05446	0.8
181.04971	0.6
183.02783	0.4
184.09628	4.6
189.01709	1.0
191.03375	0.8
198.07472	0.8
199.06021	0.6
201.05431	0.9
202.10696	12.9
203.03305	0.7
203.11481	0.5
207.02826	1.2
207.06516	1.1
209.07927	0.6
211.09581	1.2
216.08519	0.6
217.04988	0.6
217.07018	0.7
219.02946	0.9
220.11742	2.9
223.02364	0.5
229.04979	1.3
230.10162	1.7
231.02892	1.2
233.08105	0.5
234.09544	1.1
237.07417	0.9
257.04410	1.0
261.03973	1.3
261.07559	2.1
262.12808	2.8
273.03912	2.3
278.15894	1.3
279.08557	2.7
285.03903	2.5
285.06592	0.5
291.04944	1.7
297.09555	0.6
303.04959	0.9
307.08124	2.1
310.12701	0.7
321.06009	1.3
324.53714	0.4
327.05170	0.6
327.08679	0.7
328.13852	10.8
346.14999	1.7
363.07150	3.9
364.15964	4.3
393.09128	2.2
398.38242	0.5
423.09015	0.8
440.19089	100.0
441.10370	1.6
441.20392	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	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.1
57.07066	10.3
63.35968	1.7
63.64801	1.9
67.05491	22.8
69.03429	2.1
69.07065	25.9
71.00505	1.6
71.04980	1.9
79.05480	18.5
80.54308	1.6
81.07045	48.9
83.04980	3.6
83.08601	15.6
85.02890	2.2
85.06545	2.2
85.09357	1.7
85.10181	2.2
91.05459	19.2
93.07033	42.5
94.07376	2.5
95.04974	3.2
95.08596	78.6
97.10148	9.1
99.08063	3.6
105.07013	40.8
107.08579	69.2
109.06512	3.6
109.10144	55.4
111.08089	2.0
111.11737	1.7
117.06989	7.7
119.08567	67.8
119.09408	4.1
121.06506	4.1
121.10128	55.4
123.08050	3.5
123.11676	21.9
125.09612	3.2
131.08554	14.1
133.10117	53.9
135.08020	7.0
135.11679	33.0
137.09612	3.0
137.13208	11.0
139.07541	3.7
143.08513	7.3
145.10112	26.4
146.10765	2.1
147.04366	2.6
147.11664	50.0
148.12036	2.1
149.09602	15.5
149.13243	24.6
151.11195	3.5
153.09077	7.9
155.08485	2.8
157.10106	9.2
158.10905	2.3
159.11678	16.1
161.09612	3.3
161.13234	30.5
163.11214	2.4
163.14809	18.5
167.10622	5.2
169.10081	2.5
171.11700	6.8
173.13252	11.6
175.11238	3.5
175.14810	25.9
177.09094	1.9
177.16368	15.1
179.10634	2.3
183.11739	2.5
185.13229	7.6
187.14804	28.5
187.16371	3.3
189.16357	51.2
190.16829	2.0
191.14326	4.0
191.17920	100.0
192.18266	4.1
193.12218	2.9
197.13216	3.7
199.14807	5.9
201.12718	2.8
201.16388	19.7
203.17934	99.9
204.18195	4.6
205.15889	6.6
205.19475	31.5
207.17488	3.6
209.13382	2.3
213.16412	6.2
215.17932	10.7
217.12125	2.7
217.15932	2.3
217.19493	14.7
219.13788	2.3
219.17317	9.2
221.15453	2.1
221.19023	6.4
221.72183	2.0
223.14861	2.4
225.16425	2.3
227.17880	5.2
229.16023	2.6
229.19421	2.4
231.17448	5.2
231.21028	5.4
233.15205	2.2
235.16841	4.8
239.17931	2.9
241.19424	2.6
243.21045	2.1
245.22592	2.6
247.16885	6.9
249.18523	23.7
251.58580	2.0
255.21054	3.7
257.18805	3.3
259.17093	2.0
261.18567	5.4
295.24023	1.9
297.25818	2.5
348.25076	1.9
375.30481	3.1
393.31314	33.2
393.35309	3.9
394.31549	2.6
395.33038	4.2
421.30182	13.3
421.35391	3.9
421.39401	2.0
439.31415	25.7
439.35739	39.6
440.31882	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	439.3565
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03902	1.1
55.05504	6.2
57.07037	2.5
65.03898	1.4
67.05141	1.1
67.05492	22.4
69.06743	0.8
69.07053	10.0
70.14146	4.0
71.04957	2.7
79.05474	6.6
81.07040	19.4
83.04949	1.0
83.08618	4.7
85.02872	1.6
85.06501	2.1
91.05466	7.3
93.07022	15.5
95.04921	2.1
95.08591	24.4
96.08889	0.7
97.06509	1.2
97.10146	2.3
99.08092	1.1
105.07011	20.9
107.08574	25.0
109.06492	1.7
109.10138	100.0
110.10486	1.8
111.08039	2.3
117.07015	2.6
119.04933	1.0
119.08560	23.0
121.09248	1.1
121.10122	21.3
122.72460	0.7
123.08057	1.7
123.11683	10.2
125.09610	0.9
127.11125	0.8
129.06989	1.8
130.07793	1.0
131.08542	9.1
133.10095	20.1
134.10487	0.7
135.08061	1.7
135.11668	15.8
136.11998	0.8
137.09576	1.6
137.13251	3.3
139.11179	1.0
143.08534	4.3
145.10101	13.7
147.04359	3.6
147.08078	1.0
147.11665	13.6
149.09641	2.8
149.13229	12.6
151.11186	2.9
151.14932	0.9
155.08647	1.2
157.10085	7.3
158.10902	0.8
159.11664	11.2
161.09624	1.7
161.13219	11.8
163.11150	1.3
163.14783	7.3
165.12869	1.3
169.10091	3.5
171.11607	6.4
173.13217	11.0
175.11230	1.3
175.14795	7.6
177.12813	2.7
177.16362	11.3
183.11679	3.5
185.13228	8.4
186.13927	0.8
187.11163	1.3
187.14807	8.1
189.12794	2.5
189.16371	19.9
189.18011	1.2
190.16652	1.1
191.14297	1.0
191.17918	7.8
197.13290	2.2
199.14784	5.4
201.12740	0.7
201.16344	9.7
203.14452	2.7
203.17917	12.8
203.19557	1.0
205.15855	1.5
205.19472	1.0
207.17545	1.1
211.14958	1.3
213.16333	7.4
215.17918	44.1
216.18408	2.1
217.15968	2.8
217.19476	5.6
219.17471	1.5
223.13129	1.3
223.15053	1.1
225.16403	1.6
227.17918	6.5
229.15826	1.1
231.17543	2.8
233.19049	1.3
239.18091	2.2
241.19641	1.9
245.04153	0.7
245.15492	1.2
251.18092	1.0
253.19563	1.4
255.21208	1.8
259.17169	1.5
259.20654	0.9
261.18448	18.4
262.19095	1.5
265.19629	0.8
267.18491	0.8
267.21225	1.4
273.18555	1.7
295.24387	2.3
313.25528	1.1
341.24792	1.4
363.30661	1.2
375.30844	2.7
393.31458	25.9
394.32190	2.1
421.31018	3.3
421.35602	9.0
439.36172	54.7
440.36606	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03945	1.7
55.01864	1.2
55.05506	6.1
57.03424	1.1
57.07061	2.8
61.02901	1.0
65.03928	2.9
67.05498	14.3
69.03419	3.2
69.07061	12.5
69.49883	8.3
70.06574	1.9
71.04988	2.9
71.08613	1.0
79.05487	12.3
81.03410	1.2
81.07043	24.3
82.34928	0.8
83.04965	2.6
83.08598	5.8
85.02900	2.2
85.06536	5.4
91.05465	24.2
93.07034	20.9
93.07578	1.5
95.04969	2.4
95.08595	26.9
97.06515	10.6
97.10168	2.0
99.08080	7.2
100.08404	2.0
103.05394	1.2
105.07024	25.4
105.07724	1.9
107.04951	3.4
107.08581	100.0
108.08898	1.4
109.02873	1.0
109.05746	1.4
109.06499	21.7
109.07189	1.7
109.09400	1.8
109.10144	34.2
111.08086	3.5
113.09640	1.3
113.66384	1.0
117.03352	1.0
117.07017	2.5
119.06081	1.7
119.08570	24.5
120.08899	1.0
121.06498	25.4
121.10134	26.1
122.10519	1.5
123.08079	3.6
123.11691	9.4
125.09614	4.8
127.03945	1.6
129.07024	0.9
130.08646	1.0
131.08575	8.0
133.10107	18.4
135.04462	1.5
135.08072	4.6
135.11678	19.5
135.12628	1.5
137.05997	0.8
137.09642	2.5
137.13274	3.6
141.06992	0.9
143.08548	4.5
144.09317	0.9
145.10109	12.0
147.04391	2.4
147.08034	1.3
147.11661	10.8
149.09601	64.9
149.13242	9.4
150.10023	1.4
151.11214	4.0
157.10138	6.5
159.08105	1.1
159.11691	11.8
161.02361	2.0
161.09607	2.7
161.13252	8.6
163.03871	4.1
163.11182	2.6
163.14842	3.8
165.09219	0.8
165.12718	1.0
169.10072	1.1
170.10907	1.1
171.11681	5.9
173.02370	3.9
173.09673	1.3
173.13269	9.0
175.11127	2.0
175.14778	9.8
177.12778	1.1
177.16409	2.3
179.14301	1.2
183.11635	1.9
185.13239	4.4
187.14801	7.3
189.12753	1.5
189.16374	9.0
191.17931	12.0
193.10181	1.0
197.13197	1.6
199.14851	5.4
199.16414	1.0
201.16356	6.9
203.14305	1.8
203.17943	6.5
205.15924	1.9
207.17403	2.4
207.19402	0.9
211.14812	1.3
213.16388	6.8
214.16971	0.9
215.06969	5.6
215.14398	1.8
215.17987	3.9
217.15891	3.3
217.19568	1.7
227.17981	2.0
229.15836	1.1
229.19603	1.4
231.17456	6.4
233.15309	1.3
241.19518	1.8
249.18536	1.0
253.19592	1.2
255.21094	1.5
257.22733	2.5
259.09637	13.3
259.20593	2.7
260.09897	1.0
267.20923	1.1
275.23651	1.1
295.24295	1.6
297.25858	1.1
313.25122	1.3
315.26678	4.5
341.24704	1.2
351.30713	1.2
365.28305	1.1
379.33881	1.0
383.29160	1.9
403.33636	1.5
421.34711	15.8
439.10056	1.9
439.18762	4.2
439.35733	99.0
440.27588	1.5
440.36301	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	439.3564
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05500	5.9
57.07074	1.6
65.03913	3.0
65.91727	1.0
67.05492	9.7
69.03411	2.3
69.07061	11.1
70.06570	1.0
71.04974	3.1
71.24281	2.4
79.05482	10.4
81.07043	20.8
83.04979	1.4
83.08611	5.0
91.05458	24.9
93.07028	20.3
94.96227	1.0
95.04955	2.2
95.08591	21.2
97.06550	2.3
97.10131	1.7
99.08035	1.4
105.07013	22.0
107.04896	2.1
107.08572	84.8
108.08907	1.6
109.06499	27.0
109.07182	0.9
109.10139	29.1
111.08074	1.8
116.06270	1.1
117.06986	2.2
119.06059	2.1
119.08561	23.2
121.06484	33.4
121.10118	27.7
123.02421	1.2
123.04404	1.3
123.08029	2.2
123.11669	8.4
125.09641	3.2
131.08542	6.3
133.10098	21.2
135.08026	4.1
135.11659	15.4
137.09596	2.0
137.13216	3.2
143.08521	3.1
145.10117	9.4
147.04405	1.2
147.11674	9.6
149.09589	67.6
149.13205	9.7
150.09917	1.3
157.10139	4.1
159.11658	9.4
161.09581	1.8
161.13249	9.3
163.11166	2.3
163.14790	4.6
165.12785	1.5
169.10091	1.4
171.11670	2.5
173.12018	1.1
173.13228	6.3
175.11174	2.6
175.14830	8.9
177.12671	1.1
177.16344	2.4
183.11685	1.5
185.13239	1.9
187.14749	6.1
189.12820	1.3
189.16350	10.5
191.17928	13.2
197.13168	1.9
199.14838	4.5
201.16405	5.1
203.14320	1.6
203.17928	5.7
207.17561	1.8
211.14772	1.8
213.16345	2.8
215.17982	2.2
217.15778	1.7
217.19432	1.6
221.07211	1.0
229.19481	1.9
231.17456	4.2
241.19566	1.2
257.22672	3.8
265.58542	1.1
295.23932	1.5
299.23712	1.0
315.26773	3.6
347.22314	1.2
354.18634	1.1
365.28342	1.4
383.29492	2.0
421.34668	15.7
439.35675	100.0
440.36047	6.5
449.73859	1.2
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
53.03922	1.5
55.01867	1.1
55.05499	5.3
57.03417	1.0
57.07059	2.8
65.03943	3.0
67.05493	13.2
67.30839	0.6
69.03407	2.2
69.07059	9.1
70.06568	1.8
70.95293	2.3
71.04977	2.9
71.08612	1.0
79.05476	11.8
81.03406	1.2
81.07044	25.8
83.04977	1.4
83.08593	5.0
85.02889	0.8
91.05459	22.5
92.05774	0.7
93.07030	22.2
95.04970	3.0
95.08591	24.4
97.06511	4.0
97.10155	2.0
99.08059	3.0
100.08390	0.7
103.05465	0.9
105.07015	23.0
107.04923	2.0
107.08577	100.0
108.08907	1.9
109.06499	17.0
109.10139	31.0
110.10495	1.1
111.08038	4.3
114.09065	0.8
117.07004	2.5
119.06071	1.7
119.08562	24.9
119.09402	1.4
120.08067	0.8
121.06486	21.1
121.10127	27.1
122.06799	0.7
123.08038	3.7
123.11694	9.0
125.09616	5.6
127.03917	0.9
128.06230	0.8
128.07123	0.7
129.06999	1.8
130.07712	0.8
131.08540	8.9
131.47845	0.8
133.10109	18.0
135.08041	4.5
135.11665	19.1
137.09593	2.8
137.13242	4.2
142.07742	1.4
143.08539	3.9
144.09267	1.1
145.10104	12.2
147.04405	1.8
147.08081	0.7
147.11670	12.0
149.09598	55.9
149.13222	10.3
150.10008	1.6
151.11168	2.7
154.08607	1.6
155.08533	0.9
156.09305	1.1
157.10118	8.4
158.10777	1.1
159.08061	0.7
159.11674	11.2
161.09586	2.5
161.13228	9.5
163.03903	1.7
163.11180	3.4
163.14807	4.8
165.12708	1.3
169.10091	1.6
170.10889	1.0
171.11673	5.5
173.02365	0.8
173.13234	8.3
175.11192	2.1
175.14803	8.8
177.12718	1.0
177.16389	2.3
179.14397	1.0
181.10052	0.9
183.11684	2.7
185.13249	3.1
187.11191	0.9
187.14784	5.6
189.12788	1.2
189.16357	9.9
191.14334	2.1
191.17923	13.3
196.12177	0.6
197.13173	1.7
199.14767	6.4
200.15419	0.7
201.12756	0.7
201.16377	6.7
203.14243	1.4
203.17978	6.0
205.15887	1.4
205.19606	0.9
207.17418	2.3
211.14836	1.3
213.16316	6.4
215.07135	1.1
215.14429	1.5
215.17885	2.5
217.15854	4.1
217.19485	2.5
219.17465	1.0
225.16362	1.7
227.17870	1.8
229.15926	0.9
229.19447	1.1
231.17433	7.6
231.20988	1.1
233.15477	0.8
233.19026	0.8
237.16235	0.9
239.17949	1.1
241.19418	1.6
243.17238	0.9
243.21205	1.0
249.18578	1.4
253.19560	0.9
255.21005	0.9
257.22650	2.9
259.09601	3.3
259.20599	0.6
260.10364	0.6
265.19458	0.8
269.22665	1.5
271.24167	0.9
285.22037	1.0
295.24161	1.5
297.22122	1.0
297.25656	1.0
298.12897	0.8
299.23688	0.7
313.25204	2.2
315.26816	3.5
323.27316	1.0
331.26202	1.2
351.30423	0.8
397.34946	0.6
403.28687	0.7
403.33521	3.0
421.34653	19.0
422.34998	1.5
425.23495	0.6
439.35706	76.4
440.27890	3.4
440.35904	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05506	6.0
57.07063	2.1
57.65403	0.9
65.03927	2.7
66.22186	0.9
67.05494	11.7
69.03402	1.7
69.07053	8.7
70.97101	1.3
70.97456	1.6
71.04977	3.6
72.54563	0.8
79.05475	12.9
81.07042	23.8
83.04952	2.1
83.08607	3.7
85.02902	1.3
85.06524	1.2
91.05466	17.8
93.07030	22.4
95.04955	3.0
95.08585	23.0
97.06498	1.5
97.10177	1.6
99.08102	1.7
105.07007	22.8
107.04926	1.4
107.08574	100.0
108.08897	1.8
109.06503	11.3
109.10133	29.9
111.08059	2.7
111.11703	0.9
117.07001	2.3
119.04961	1.0
119.06046	1.7
119.08564	22.2
121.06487	14.7
121.10121	24.7
121.10960	1.7
123.08037	2.6
123.09276	1.0
123.11692	6.9
125.09613	14.3
129.07010	1.3
131.08542	7.6
133.10101	15.9
135.08038	4.3
135.11673	16.9
137.09586	1.7
137.13226	2.7
139.11166	1.1
143.08516	2.7
145.10089	12.1
147.04396	2.0
147.11674	12.8
149.09590	46.9
149.13229	9.3
150.09958	1.0
151.11188	3.1
157.10094	6.3
159.11652	11.6
161.09615	2.2
161.13243	8.7
163.11159	1.9
163.14792	4.5
169.10089	1.1
171.11610	4.3
173.13232	8.6
175.11201	1.7
175.14804	8.0
177.12584	1.0
177.16420	2.3
185.13234	3.5
187.14799	6.2
189.16342	9.7
191.14325	1.2
191.17917	16.9
197.13307	1.7
199.14789	5.1
201.16283	5.7
203.17908	6.1
205.15814	1.6
207.17516	1.2
207.59184	1.0
211.14815	1.6
213.16377	6.4
215.17987	3.3
217.15877	3.0
225.16499	0.9
229.19489	1.5
231.17435	12.3
235.16872	1.2
236.25226	1.1
241.19585	2.7
243.21031	1.0
245.19029	1.1
249.18478	1.7
255.21002	1.4
257.22711	3.4
269.22485	1.6
297.25827	1.3
315.26898	3.9
365.28516	1.1
403.33331	4.4
421.34625	28.9
422.35098	1.3
439.35666	75.1
440.35986	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	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.49879	0.7
55.05502	4.8
55.41220	0.7
57.07057	1.5
66.12627	0.8
67.05495	8.5
69.07058	7.7
69.44984	8.1
71.04987	8.8
74.43555	0.9
79.05482	6.5
81.07046	19.1
83.04996	1.0
83.08608	3.1
91.05463	10.8
93.07030	18.5
95.04955	1.8
95.08591	25.2
97.06496	1.2
97.10162	1.8
99.08077	10.7
99.08652	0.6
105.07018	15.1
107.08579	43.2
108.08926	0.9
109.06496	7.1
109.10142	20.7
111.08060	1.3
117.07009	2.1
119.08564	20.0
121.06477	7.5
121.10130	29.5
123.08057	2.8
123.11697	10.9
125.09635	4.9
127.07545	2.2
127.11192	3.2
129.03796	0.8
129.07019	0.8
130.07880	0.7
131.08553	5.7
133.10124	15.9
134.10432	0.8
135.08052	6.6
135.11668	22.2
136.12016	1.0
137.09615	5.0
137.13234	5.6
139.11188	1.4
142.07695	0.9
143.08582	2.0
143.10626	1.4
144.09331	0.8
145.10106	16.8
147.11665	12.6
149.09593	28.3
149.13245	7.1
151.11119	4.7
157.10127	4.3
159.11671	12.7
161.09618	1.8
161.13243	9.0
163.11140	3.7
163.14856	2.3
169.10004	1.1
171.11676	4.7
173.13245	5.3
175.14801	6.7
177.12766	1.1
177.16383	2.6
183.11713	2.2
185.13235	2.5
187.14775	4.9
189.12732	1.3
189.16356	9.1
191.14325	1.7
191.17920	26.7
192.18338	1.0
197.13307	1.2
199.14795	3.5
201.12541	0.9
201.16362	7.8
203.17917	8.3
205.15863	1.0
207.99275	0.8
209.15295	0.9
211.14839	1.8
213.16335	4.5
215.14339	1.2
215.17938	2.9
217.15865	5.3
217.19458	5.4
219.13799	1.0
225.16364	1.1
227.17874	1.4
229.15919	0.9
229.19522	1.6
231.17427	17.7
233.15366	4.3
233.19035	0.9
235.16872	1.5
239.17859	0.9
241.19554	1.5
243.21013	0.9
245.19266	0.9
249.18466	7.8
253.19460	1.3
255.21088	2.1
257.19009	0.9
257.22650	4.0
259.77173	0.8
261.21777	0.9
269.22583	1.6
271.20715	0.9
283.20557	1.3
285.22156	1.3
297.22003	0.8
315.26682	1.2
335.27133	1.7
341.28406	2.5
349.28754	1.1
351.30579	2.4
365.27859	1.1
367.26498	2.2
369.31805	0.9
379.30164	0.8
397.34863	1.1
403.33368	1.2
421.34668	21.3
422.34894	1.8
439.35718	100.0
440.35941	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	439.3565
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05504	4.7
57.07061	2.1
65.03919	3.0
67.05491	12.2
68.94110	0.8
69.03398	0.8
69.07060	11.9
71.04963	1.8
71.19325	2.5
73.03905	0.8
79.05477	8.0
81.07042	17.9
83.04958	1.8
83.08610	3.8
87.56531	0.8
88.79857	0.8
91.05467	18.2
91.55076	0.9
93.07028	19.3
95.04943	2.1
95.08591	20.0
96.47939	0.8
97.06539	2.5
97.10158	1.6
99.08062	2.2
100.90952	0.7
105.07020	17.3
107.04927	2.4
107.08576	75.4
108.08903	1.9
108.58392	0.8
109.06503	26.1
109.10142	29.2
110.10429	0.8
111.11700	0.8
117.07001	3.5
119.06042	1.7
119.08560	21.7
121.06486	31.9
121.10125	21.5
121.10970	1.7
123.08007	2.1
123.11698	7.6
125.09621	3.4
130.87538	1.0
131.08537	5.8
133.10101	15.8
135.08058	2.8
135.11673	14.9
137.09578	2.5
137.13243	3.0
142.07620	0.8
143.08566	2.3
145.10104	8.2
147.11659	8.9
149.09599	66.5
149.13219	10.0
150.09911	2.0
151.11150	2.5
157.10091	3.1
159.11653	7.4
161.09610	1.7
161.13252	8.0
163.11200	2.9
163.14760	4.9
171.11723	2.2
173.13191	5.7
175.11172	1.3
175.14841	7.3
177.12711	1.2
177.16287	1.4
179.14334	0.9
183.11649	1.0
185.13226	1.0
187.14752	4.7
189.16380	5.7
191.14211	1.4
191.17896	9.6
199.14853	3.6
201.16400	4.2
203.17921	4.5
211.14859	1.2
213.16373	3.7
215.17888	2.0
217.15898	2.4
217.19461	1.6
225.16525	1.4
227.17857	1.1
229.15782	1.0
231.17375	5.1
233.15411	1.5
241.19464	1.6
243.20996	1.5
245.19078	1.1
249.18515	1.4
255.21265	1.2
257.22675	3.5
295.24350	1.2
297.25854	3.1
313.25217	1.4
315.26855	3.1
331.26300	1.1
383.29559	1.0
403.33600	1.1
421.34622	12.8
439.35669	100.0
440.35873	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	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.36217	0.8
53.03924	0.9
54.51456	0.8
55.05494	6.7
57.03436	1.0
57.07062	4.5
59.04986	1.4
65.03944	1.0
67.05498	13.2
69.03418	1.1
69.07056	11.2
70.84639	2.0
71.04975	12.8
71.05360	0.9
76.79857	0.7
79.05480	11.2
79.05914	1.0
81.07040	29.2
83.04971	2.7
83.08604	5.3
85.02906	2.2
85.06535	1.5
89.06040	1.2
91.05468	13.2
93.07024	25.6
94.49181	0.7
95.04965	3.0
95.08591	35.1
96.08938	1.2
97.06518	2.0
97.10182	3.4
99.08070	10.2
99.08582	0.8
105.07007	20.5
107.08573	52.3
109.06511	4.3
109.10136	27.5
111.08105	1.8
117.07039	3.5
119.08563	26.3
119.09364	1.6
121.06534	3.1
121.10129	39.1
123.08072	4.1
123.11680	11.6
125.09609	8.7
127.07577	3.3
127.11208	3.7
129.06989	2.2
130.07829	1.0
130.19452	0.9
131.08543	9.0
133.10100	23.2
135.08046	10.1
135.11667	30.1
137.09575	8.9
137.10454	0.7
137.13220	5.7
139.11212	1.9
142.07811	1.0
143.08600	3.7
143.10649	1.4
145.10094	26.4
146.10490	1.4
147.04449	3.5
147.11653	16.9
149.02350	1.7
149.09592	29.4
149.13248	9.8
151.11180	7.3
151.14854	1.8
155.08582	1.2
156.09396	1.3
157.10088	7.0
159.11670	17.6
159.12906	1.0
161.09663	2.9
161.13229	14.9
163.11183	4.1
163.14777	4.6
167.08517	0.8
169.10120	1.9
171.11653	6.8
172.12451	0.9
173.09724	1.2
173.13225	8.3
175.11278	2.6
175.14796	9.9
177.12753	1.6
177.16452	2.3
179.14384	1.7
183.11703	3.1
185.13232	4.9
187.14828	6.6
189.12778	1.4
189.16362	13.1
191.14276	2.2
191.17908	38.4
192.18388	1.1
193.04956	2.0
193.15923	1.3
194.05354	1.2
197.13335	3.1
199.14825	6.6
201.12811	0.9
201.16356	12.1
203.14432	2.2
203.17912	11.1
205.15913	2.0
209.15425	1.9
211.14960	3.4
213.16330	7.1
214.17010	0.9
214.25739	0.9
215.14514	1.0
215.17883	5.5
217.15941	5.8
217.19507	6.4
219.13795	1.8
219.17603	1.0
225.16364	2.0
227.18068	2.9
229.15976	1.4
229.19525	2.1
231.17409	24.8
231.21114	1.1
232.17825	1.3
233.15358	5.9
233.19154	1.0
235.16962	4.4
237.16533	1.1
239.18028	2.5
241.19685	1.5
243.17592	1.1
243.21204	1.9
245.19104	2.3
249.18469	11.0
250.18677	1.1
253.19670	1.2
255.21143	2.7
257.18964	5.4
257.22549	4.3
267.20993	1.0
269.18970	1.1
269.22830	1.8
271.20502	0.9
283.20599	1.3
285.22192	1.9
297.26004	1.0
299.20255	0.8
299.23691	1.2
315.26990	1.9
323.27237	1.0
335.27414	2.0
341.28616	2.6
351.30664	3.8
403.33786	1.2
409.31046	1.4
421.34665	34.0
422.35117	3.6
439.35959	100.0
440.36121	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	439.3564
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.81609	0.9
53.03924	1.2
55.05497	12.3
55.79755	1.1
57.03410	1.9
57.05554	0.9
57.07068	5.3
59.04990	1.2
65.03937	2.8
67.05493	34.1
69.03420	2.2
69.07056	35.3
69.80910	7.4
71.04979	8.8
71.08634	1.8
79.05473	18.4
81.03408	4.5
81.07043	42.8
83.04965	4.3
83.08607	13.5
85.02892	4.6
85.06503	1.5
90.82056	1.1
91.05460	22.5
93.06429	1.4
93.07025	37.1
95.04967	5.0
95.08589	55.4
96.08888	1.5
97.02826	2.0
97.06525	2.4
97.10160	4.1
99.08069	6.5
105.07013	30.6
107.04971	2.0
107.08572	67.0
108.08881	2.2
109.06499	7.0
109.09387	2.5
109.10134	49.9
111.04415	1.8
111.08097	3.2
111.11724	4.1
117.07017	4.3
119.08562	37.7
119.09396	2.1
121.06522	7.2
121.10123	42.7
122.10487	1.5
123.08073	1.9
123.11687	21.6
123.12511	2.0
125.05965	1.8
125.09631	7.3
127.07580	1.5
127.11212	2.4
129.06992	3.7
131.08549	14.9
133.10103	29.1
135.08040	3.8
135.11665	34.1
137.09604	4.2
137.13231	9.5
139.07564	1.8
139.11230	1.2
141.07065	1.2
142.07706	1.3
143.08531	5.4
145.10098	22.7
147.04390	2.3
147.08041	3.0
147.11659	21.5
149.09576	15.7
149.13217	18.5
151.11145	4.1
151.14749	1.6
153.09114	2.6
155.08498	2.0
156.09361	1.7
157.10112	10.1
159.11670	21.7
161.09627	2.7
161.13235	16.4
163.11197	2.1
163.14804	10.3
165.09125	2.3
165.12714	1.4
167.10648	1.3
169.10109	4.2
171.11670	7.2
173.11754	2.9
173.13263	12.1
175.11128	3.1
175.14799	13.9
177.09171	1.5
177.16359	6.0
179.10699	2.1
181.12067	1.3
183.11737	2.5
185.13226	5.5
187.14809	10.1
188.15317	1.2
189.12804	1.4
189.16348	15.5
191.10631	1.6
191.14287	1.8
191.17909	22.0
193.12183	6.1
197.13199	3.6
199.14803	6.5
201.12785	1.1
201.16386	11.7
203.14285	1.7
203.17906	11.2
205.15904	2.0
205.19629	1.8
207.17688	1.6
209.13229	1.8
211.13307	5.1
211.15007	1.8
213.16319	6.3
215.14357	1.9
215.17897	7.1
217.15929	3.0
217.19588	4.8
219.17500	1.9
225.16411	1.8
227.17952	4.1
229.19519	2.1
231.17375	11.5
233.15347	2.7
235.16951	2.7
241.19502	2.7
243.21051	2.4
247.16873	1.9
249.18474	5.1
251.18050	1.9
253.19456	2.5
255.21138	2.3
257.22556	2.6
261.18430	1.2
267.21072	3.0
269.22705	2.6
281.22485	2.3
287.19977	1.3
295.24228	2.3
315.23328	3.3
329.24661	1.7
341.28494	1.4
343.26163	1.4
351.30557	1.7
371.29486	4.1
379.33496	3.2
383.29446	4.0
393.35364	1.3
403.33563	2.2
421.25903	2.7
421.34619	23.3
439.27023	13.4
439.35727	100.0
440.27649	2.6
440.35989	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	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59417	5.9
55.05494	18.0
57.07059	10.6
67.05482	26.3
69.07039	24.6
70.99075	14.3
70.99409	9.5
71.94818	5.7
79.05462	12.3
81.07053	60.8
81.69255	6.6
83.08588	13.7
89.06005	26.6
90.06377	6.9
91.05461	16.4
93.07029	38.0
95.08598	100.0
105.07030	49.7
107.08582	55.7
109.10130	53.0
116.54033	6.8
119.08571	74.3
121.10123	72.8
123.11687	47.1
131.08562	14.7
133.08577	9.9
133.10117	51.0
135.08022	6.9
135.11671	23.3
137.13232	25.6
143.08563	8.0
145.10088	21.3
147.11658	24.0
149.13211	19.0
157.10123	16.3
159.11711	36.2
161.13229	31.8
163.14735	8.6
171.11688	20.9
173.13284	34.3
175.11075	11.0
175.14816	32.1
177.16351	10.1
179.18031	5.9
185.13205	11.6
187.14833	16.2
189.16394	18.9
191.17906	23.7
199.14819	20.0
203.14304	9.3
203.17957	20.1
213.16318	13.9
217.15834	14.5
217.19455	20.7
235.16962	65.1
239.14865	29.8
240.15233	14.9
267.68689	7.4
353.31927	11.0
369.84396	7.1
403.33505	14.8
421.34561	31.4
422.35068	7.7
439.30560	6.5
439.35785	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	439.3565
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.13351	3.3
55.05487	12.0
57.07052	15.2
67.05489	28.3
69.07057	25.5
71.04967	9.3
71.08605	5.2
71.77010	5.2
72.04502	7.5
79.05469	19.3
81.07042	66.3
83.08590	9.7
89.06000	13.7
91.05470	14.0
93.07024	33.2
95.04944	4.0
95.08588	100.0
95.26118	3.4
97.10140	9.1
99.08052	4.6
105.07012	27.9
107.08573	47.7
109.10139	50.5
111.11686	5.4
115.07538	5.2
115.99307	4.1
119.08569	47.0
121.10119	49.0
123.11687	27.4
125.09573	4.2
129.06906	6.6
131.08522	16.6
132.04805	3.8
133.08585	6.6
133.10106	35.6
135.11682	24.5
137.09561	4.6
137.13202	23.6
143.08521	11.1
145.10091	25.2
147.11682	30.0
149.13228	14.4
157.10085	11.5
159.11702	22.8
161.13245	16.8
163.14803	11.1
170.10979	3.7
171.11661	12.2
173.13260	24.7
175.14806	15.2
177.16379	8.9
183.11778	4.5
185.13268	11.1
187.14787	15.2
189.16374	18.1
191.17947	21.5
197.13268	5.4
199.14767	12.4
201.16357	12.6
203.14323	7.7
203.17894	17.5
207.17404	7.1
211.14964	4.8
213.16422	22.3
215.14461	4.0
215.17862	12.4
217.15862	7.3
217.19456	9.4
219.17386	5.6
227.17830	6.2
229.19405	7.6
235.16872	22.3
239.14877	10.3
239.17961	3.8
240.15173	9.7
241.19443	5.4
245.22623	6.8
261.18478	5.5
267.20950	4.0
325.28796	9.9
363.31125	4.5
392.95676	5.8
403.33691	12.2
411.35864	4.0
421.34512	45.2
422.34766	4.0
439.30505	5.4
439.35709	85.7
440.35657	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	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07384	1.4
55.05495	11.8
57.07055	4.2
63.89880	1.2
67.05489	12.2
69.07055	13.6
79.05476	8.6
81.07047	26.6
83.08605	9.1
91.05472	9.4
93.07033	26.3
95.04984	1.9
95.08595	65.7
96.08926	1.5
97.10165	4.9
98.20667	3.8
100.67248	1.1
105.07008	21.6
107.08577	46.3
109.10137	42.0
111.08074	1.8
117.07029	1.5
119.08566	44.9
121.10131	42.3
123.11697	14.1
131.08557	4.3
133.10114	37.3
133.11125	1.9
135.11664	29.1
137.13240	5.8
143.08543	1.7
145.10088	4.7
147.11659	31.1
149.13237	20.9
153.09068	7.5
157.71033	1.4
159.11659	6.2
161.13223	16.2
162.48492	1.3
163.14812	20.5
165.09097	3.1
165.12845	1.3
167.10660	4.5
171.11711	1.7
173.13263	4.2
175.14761	12.1
177.16362	10.9
179.10585	1.3
187.14804	3.5
189.16371	38.7
191.17921	100.0
192.18291	3.8
199.14893	1.5
201.16335	7.4
203.17924	94.5
204.18263	2.8
205.19487	27.9
207.17485	2.9
213.16345	1.9
215.17880	7.3
217.15923	2.2
217.19485	12.5
221.03502	1.2
221.18987	4.8
229.19452	2.4
231.17349	3.2
231.21008	6.3
235.16916	4.7
243.21022	1.6
245.22624	3.7
247.17009	7.8
249.18478	25.5
261.18469	3.6
269.22537	1.9
275.20007	2.1
297.25827	1.6
393.35114	11.8
439.35690	33.7
440.35950	3.0
458.05389	1.4
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
50.73157	1.5
53.03939	2.3
55.05498	18.2
57.03411	2.3
57.07055	4.1
59.05001	1.9
60.40428	1.5
65.03938	2.6
67.05496	55.6
67.67342	1.4
67.88000	1.4
68.05844	1.5
68.86847	1.4
68.89136	1.4
69.03423	2.8
69.06685	1.8
69.07054	23.4
71.04993	9.6
71.08633	1.5
75.68314	1.3
79.05479	21.8
80.70889	1.5
81.03415	11.8
81.07048	55.8
82.07374	1.5
83.04969	6.2
83.08611	17.8
83.28098	1.5
85.02909	9.5
85.06522	5.7
91.05466	29.7
93.07032	44.2
94.07378	2.2
94.20402	1.3
95.04965	9.5
95.08595	65.2
96.08939	2.2
97.02878	1.7
97.06485	3.6
97.10154	6.7
98.21457	4.4
99.08089	2.8
104.70567	1.5
105.07011	46.1
107.08578	76.5
108.08897	2.3
109.06512	5.9
109.10144	67.4
110.10497	2.4
111.04431	2.5
111.08064	4.4
111.11695	2.5
115.05397	2.3
117.07009	8.9
119.04913	1.9
119.08563	70.6
120.08888	2.4
121.06496	3.7
121.10128	60.7
122.10468	3.4
123.08013	7.9
123.10838	3.0
123.11683	23.0
125.09595	2.8
128.06203	3.0
129.06992	8.7
131.08563	23.7
131.77196	1.7
133.10109	56.5
135.08044	4.0
135.11673	71.3
137.09581	7.9
137.13240	10.1
141.06956	1.5
142.07794	2.4
143.08549	12.4
144.09291	1.7
145.10109	38.5
146.10466	2.4
147.04381	10.1
147.08020	2.6
147.11659	48.3
149.09625	7.5
149.13226	20.3
151.11151	4.7
153.09145	2.5
155.08498	3.8
156.09328	4.6
157.10133	17.0
158.10866	2.4
159.08130	3.2
159.11688	30.5
160.12219	1.5
161.09572	4.7
161.13246	33.5
162.13506	1.6
163.11191	5.3
163.14821	18.6
165.12724	2.7
167.08577	1.7
167.10568	1.9
169.10107	7.1
170.10550	1.6
171.11678	24.3
172.12239	2.5
173.09589	4.4
173.11749	5.6
173.13254	19.3
175.11183	5.4
175.14806	19.1
177.12756	5.4
177.16367	13.3
179.10703	2.1
179.14258	2.2
179.18001	1.9
181.10141	1.6
183.11667	8.4
185.13235	15.8
187.11113	2.1
187.14799	22.3
188.15140	2.7
189.12733	6.6
189.16373	59.5
190.16737	1.8
191.10512	1.6
191.14200	9.5
191.17940	27.7
193.10616	2.3
193.12204	13.3
193.15756	2.4
195.11659	2.5
197.13281	3.8
199.11209	2.6
199.14798	11.7
201.12657	3.7
201.16342	16.1
202.09940	2.5
202.16661	2.3
203.14337	8.5
203.17940	35.5
205.12222	3.5
205.15842	3.5
205.19492	5.0
207.17412	44.5
207.19293	3.1
209.13327	4.3
211.13274	13.0
211.14888	3.2
213.12727	2.5
213.16316	13.8
215.14331	3.4
215.17903	13.2
217.12210	100.0
217.15828	6.8
217.19444	11.1
218.12561	2.4
219.13846	1.8
221.14946	1.5
223.13115	2.8
223.14990	1.9
225.16385	6.8
227.12549	1.7
227.17969	3.8
229.12222	1.8
229.15944	2.1
229.19533	4.4
231.17413	7.4
233.15273	7.4
236.15343	1.6
237.16411	1.9
239.17889	3.5
241.19386	4.7
243.17424	2.9
243.20987	2.6
245.15416	1.5
247.16924	1.9
249.18542	8.5
249.20685	1.7
253.19463	5.4
255.21021	5.0
257.19064	2.3
257.22552	2.7
259.16919	6.4
261.18576	6.2
267.15811	2.4
267.21008	3.4
268.21640	2.0
269.18933	2.5
269.22623	2.7
280.78860	1.8
283.20343	1.9
287.20029	2.9
299.20013	15.4
301.21671	1.8
367.26471	2.1
375.30310	8.5
379.29987	1.8
393.31268	19.4
393.35336	2.1
403.25034	1.9
403.29977	6.9
411.31729	3.6
421.30615	55.2
422.31451	2.5
439.26685	31.7
439.31430	89.1
440.32202	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	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01869	1.4
55.05495	7.9
57.03421	1.0
57.07064	4.4
59.04976	1.1
60.41524	0.8
61.55308	0.9
63.28425	0.8
65.03914	0.9
67.05492	16.6
69.03418	2.0
69.07055	15.5
70.69004	3.1
71.04987	6.3
72.60520	0.9
79.05479	10.6
81.03403	2.2
81.07043	26.4
83.04950	2.1
83.08613	5.5
85.02879	3.4
85.06532	2.1
91.05460	14.4
92.56879	0.8
93.07027	25.5
95.04949	2.9
95.08591	33.8
97.02855	1.1
97.06513	3.8
97.10153	2.8
99.04418	0.9
99.08084	5.2
105.07017	24.8
107.08574	39.1
109.06500	3.3
109.10140	27.7
111.04440	1.1
111.08064	2.5
111.11692	1.0
115.05412	1.1
117.06985	8.4
119.04939	1.1
119.07707	1.9
119.08566	30.3
121.06474	2.4
121.10130	29.1
123.08048	1.9
123.11678	8.8
125.09590	4.5
127.07570	1.7
127.11174	1.9
128.06207	2.1
129.06998	4.4
131.08543	13.3
133.10104	23.5
135.08038	4.3
135.11670	19.2
137.09587	3.2
137.13191	5.8
139.11183	2.0
141.06975	2.0
142.07745	3.0
143.08530	11.4
145.10097	26.5
147.04395	8.3
147.08099	1.7
147.11664	15.2
149.02303	11.1
149.09601	12.1
149.13232	10.5
150.02649	4.5
151.11153	3.7
151.14786	1.8
154.07773	1.0
155.08542	5.2
157.10094	12.9
158.10860	1.6
159.11682	19.8
161.09584	1.7
161.13235	16.1
163.11243	2.0
163.14812	9.2
165.12740	1.1
167.08539	0.9
168.09293	1.9
169.10114	8.4
170.10930	2.1
171.11676	11.6
172.12286	0.9
173.09680	1.0
173.11806	1.6
173.13231	10.5
175.11159	3.0
175.14798	16.3
175.26686	1.0
177.12677	1.7
177.16348	6.7
179.14275	2.3
181.10068	2.2
183.11676	11.1
185.13237	15.0
187.11159	1.5
187.14780	14.7
189.16373	9.8
191.14211	2.0
191.17926	12.7
193.04948	17.1
193.12227	2.0
193.15845	5.7
194.05276	10.5
195.11606	2.7
196.12465	2.0
197.13222	12.0
199.14818	8.1
201.12749	1.5
201.16379	12.2
203.14268	4.8
203.17900	6.2
205.15857	4.4
209.13303	5.0
210.13995	4.0
211.13200	1.0
211.14815	9.0
212.15485	1.2
213.16333	8.2
214.17235	1.1
215.17917	11.4
217.15802	4.4
217.19496	2.0
219.13838	1.9
219.17458	1.3
223.14905	1.5
224.15536	2.8
225.16440	4.7
226.16988	1.2
227.17899	12.5
229.15891	1.9
229.19461	1.6
231.17447	11.0
233.15331	3.6
235.16916	1.5
237.16443	1.5
239.17931	13.6
241.19508	2.7
242.16861	1.1
243.17361	2.6
245.19002	14.7
247.16910	1.1
249.16209	1.0
249.18462	3.9
251.17967	2.2
253.19466	2.8
255.17276	1.7
255.21144	2.1
257.18970	39.1
257.22745	1.6
258.19275	1.1
259.17029	1.1
263.17792	1.4
265.19766	1.1
267.21152	1.1
269.19009	2.0
269.22488	1.3
277.19284	1.0
295.24023	1.6
297.25723	2.8
319.24075	1.1
329.24887	1.1
333.26059	1.3
341.28275	1.1
361.28476	1.0
363.30389	1.8
367.26144	1.4
375.30505	5.9
393.27554	1.1
393.31516	8.7
395.33063	1.2
403.29691	2.6
409.30939	12.4
421.29776	8.8
421.34732	9.3
439.31403	100.0
440.31982	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	439.3201
Annotation	Salacenonal
Peak:m/z	Relative Intensity
50.03147	2.2
55.05493	9.8
57.07053	3.5
59.39145	2.3
67.05499	13.0
69.07058	14.9
69.68656	20.3
69.85709	1.9
79.05476	11.1
81.07043	33.9
83.04906	2.2
83.08600	6.6
83.28571	2.0
88.99176	2.2
91.05455	16.8
93.07027	22.9
95.08597	37.6
97.10151	3.9
99.08073	5.3
105.07014	28.9
107.08578	57.7
109.06483	2.6
109.10142	30.8
111.11720	2.9
117.06988	6.5
119.08556	43.0
121.10134	34.6
123.11668	11.4
129.06964	3.9
131.08546	20.6
133.10101	33.0
135.07971	2.5
135.11681	25.2
137.09610	2.4
137.13240	5.2
143.08554	7.7
145.10112	33.8
147.11674	22.3
149.09637	2.1
149.13237	13.1
153.12672	4.1
155.08549	2.8
156.09337	2.6
157.10179	12.5
159.11674	17.9
161.13242	17.3
163.14801	24.1
169.10112	4.1
171.11658	18.1
173.13243	22.1
175.14816	21.4
177.12720	9.2
177.16368	8.9
179.14279	5.3
183.11644	6.3
185.13243	11.8
187.14757	24.0
189.12651	2.4
189.16330	24.8
193.15901	4.1
195.11708	3.6
197.13181	7.0
199.14784	12.2
200.15483	2.5
201.12502	3.5
201.16350	18.6
203.14304	4.4
203.17960	4.7
205.15869	5.5
211.14711	3.3
213.16335	11.5
215.14247	3.8
215.17934	8.8
219.53717	2.3
223.14832	3.0
225.16306	5.4
227.17937	23.2
229.15910	4.9
229.19505	7.7
231.17441	4.9
239.17879	6.7
241.19531	18.3
243.20996	5.7
245.18958	10.7
247.16957	3.9
251.17955	3.8
253.19556	19.2
255.21065	6.0
257.18976	3.2
261.18277	4.3
267.21054	5.0
269.22726	3.1
273.18546	4.9
279.21045	4.2
287.19995	4.6
291.21024	3.5
295.24023	4.9
299.20212	14.4
299.23004	2.9
305.22638	4.0
313.21597	3.9
319.24130	6.0
327.22989	2.9
341.24692	5.9
365.24493	5.5
365.31998	6.3
375.30423	30.9
393.26590	4.7
393.31442	61.3
394.31650	2.6
411.32404	4.9
419.16342	2.5
421.30936	100.0
422.31070	4.1
439.26065	4.6
439.31937	90.0
440.32306	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	439.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05490	7.1
57.03423	1.0
57.07053	2.9
58.84777	0.8
65.03930	1.7
67.05493	21.5
68.75146	0.9
69.07053	12.8
70.38257	2.1
70.38639	4.2
71.04974	3.6
79.05478	8.2
81.07040	27.9
83.04972	1.5
83.08596	7.5
85.06522	3.2
91.05472	9.3
93.07027	18.1
94.06014	0.9
95.04946	1.9
95.08591	33.2
97.06516	2.6
97.10158	2.7
99.08081	2.1
105.07008	22.8
105.50782	1.0
107.08572	31.1
109.06501	2.4
109.10135	100.0
110.10461	1.0
111.04408	1.1
111.08053	1.7
117.07014	4.4
119.08554	32.7
121.06498	1.4
121.10123	27.4
123.08044	1.1
123.11679	11.6
124.18379	0.9
125.09625	1.2
129.06981	2.7
131.08554	11.3
133.10101	23.3
135.08011	2.1
135.11667	21.3
136.12062	1.0
137.09625	1.8
137.13239	3.8
139.11162	1.1
142.07780	0.9
143.08501	5.5
145.10097	17.3
146.95665	1.0
147.04329	4.4
147.08012	1.2
147.11635	17.4
148.04666	0.9
149.09598	4.1
149.13240	16.1
151.11107	2.6
155.08582	2.4
157.10078	10.6
159.11668	18.2
161.09576	1.5
161.13210	14.8
163.11179	2.3
163.14816	10.1
165.12708	1.1
169.10133	2.6
171.11633	7.2
172.12473	2.0
173.11806	1.8
173.13210	16.7
175.11111	2.0
175.14784	7.4
177.12724	4.0
177.16348	12.2
179.14320	1.3
183.11693	3.7
185.13223	8.8
187.14778	9.5
189.12703	3.1
189.16342	23.2
191.17899	8.0
193.12193	1.4
194.42906	1.0
197.13229	4.3
199.14777	8.6
201.12698	1.9
201.16328	15.1
201.80846	0.9
203.14326	2.3
203.17896	14.6
205.15877	2.6
205.19505	3.0
207.17320	1.9
208.12711	1.0
209.13193	1.5
211.14839	2.4
213.16330	15.1
215.17915	96.9
216.18306	3.1
217.15826	3.3
217.19485	7.1
219.17413	1.8
223.13168	1.6
225.16328	4.0
227.17908	16.1
229.15813	1.3
229.19415	2.0
231.17416	2.9
233.18977	2.0
239.17969	4.2
241.19487	3.1
243.13824	1.2
243.21193	1.4
247.16878	1.4
249.18524	1.4
253.19537	2.3
255.20978	1.3
259.16922	4.5
261.15674	1.7
261.18460	45.1
267.21048	2.2
269.22653	1.4
273.18451	8.5
281.22705	1.4
283.20453	1.5
293.22629	1.2
295.24109	5.1
297.22137	2.1
313.25357	1.3
341.24673	4.2
375.30392	7.3
383.29590	1.3
393.31436	66.9
394.31589	2.8
421.30725	9.0
421.34802	6.7
439.31107	7.2
439.36420	52.9
440.36026	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	439.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
53.53191	0.9
55.05505	5.6
57.07038	2.4
64.07186	0.9
65.03936	1.6
67.05495	12.9
69.06734	0.8
69.07055	11.6
69.34613	0.9
71.78973	1.5
79.05475	8.8
81.07049	20.1
83.04934	2.4
83.08594	4.8
91.05466	15.0
93.06502	1.3
93.07033	19.2
95.04907	2.2
95.08592	27.7
97.06506	1.7
97.10120	1.9
99.04400	1.2
100.71178	1.0
103.05417	1.0
105.07012	35.6
105.32018	1.0
107.08574	34.4
109.06503	4.9
109.10134	16.7
110.31684	1.0
111.08051	1.8
117.07009	9.3
117.07840	1.6
119.08560	44.6
121.06519	4.9
121.10129	27.3
123.08016	2.2
123.10987	0.8
123.11680	8.7
125.05924	1.1
125.09595	2.2
128.06149	1.8
129.06949	3.3
130.07733	2.9
131.08548	38.3
133.10107	35.1
133.11121	1.8
134.10451	0.9
135.07957	3.3
135.11670	33.1
137.09572	1.8
137.13170	3.7
139.07425	1.0
141.06917	1.2
142.07758	1.4
143.08539	10.0
144.09224	3.6
145.10103	73.7
146.10376	1.5
147.07971	1.3
147.10562	1.2
147.11649	16.6
149.08687	1.0
149.09602	10.2
149.13243	7.9
149.31758	0.9
151.07500	1.2
151.11105	1.8
153.09013	1.1
155.08478	1.7
156.09270	1.7
157.10080	8.9
158.10883	7.1
159.07979	1.4
159.10365	1.8
159.11670	35.9
160.12445	1.1
161.09499	2.3
161.13226	11.0
163.07468	1.0
163.11089	3.3
163.14798	6.6
165.09077	1.5
169.10100	2.3
170.10780	3.6
171.11649	6.6
172.12372	4.3
173.09479	1.4
173.13242	34.7
174.13890	1.1
175.11116	2.2
175.14798	29.8
177.09050	1.9
177.12674	3.1
177.16389	5.5
181.10089	1.2
183.11618	2.0
185.13208	10.2
186.13756	1.1
187.14793	100.0
188.15039	3.2
189.12614	1.5
189.16336	13.3
190.16502	1.7
191.14299	10.9
191.17792	3.0
193.12228	1.5
193.15787	2.3
195.11539	1.2
197.13226	2.0
199.14804	8.3
199.73991	1.1
201.16359	80.2
202.16663	2.6
203.14154	3.1
203.17982	7.9
205.12096	4.0
205.15759	3.5
205.19337	1.0
209.13297	1.2
211.14688	1.3
213.16350	6.2
214.17110	1.1
215.17799	4.1
217.12181	1.0
217.15790	1.1
217.19371	3.9
219.13782	25.9
221.15346	8.5
221.18787	1.0
225.16283	1.4
227.17764	3.9
229.12077	1.1
229.15901	1.2
229.19505	1.5
231.13701	1.7
231.17369	1.3
233.15338	4.7
237.14799	26.1
238.15013	1.3
241.19525	1.2
245.15147	1.3
247.13173	1.5
247.16899	6.8
251.16177	1.3
253.19394	2.1
263.16330	1.4
267.20993	1.0
269.22519	1.8
349.16617	2.5
375.30145	4.1
393.31250	2.2
395.33090	1.3
403.29672	2.4
421.30750	4.8
439.31729	56.8
440.32135	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	439.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.03437	0.4
60.05642	2.7
65.11728	0.3
69.03399	1.1
69.07040	0.5
70.06591	1.8
70.06895	0.4
71.30361	0.4
71.30721	0.8
72.08147	5.9
73.02893	0.6
79.05458	0.4
81.03391	0.7
81.07013	0.3
83.04967	0.7
84.04469	0.6
84.08096	0.6
85.02889	2.2
86.09661	0.3
89.10790	0.6
91.05470	4.2
93.06977	0.4
95.08594	0.4
97.02864	1.0
97.07647	2.0
98.06041	0.6
98.97583	0.7
99.04439	0.3
100.98570	0.3
101.22743	0.3
105.07030	0.4
109.02864	0.6
109.10155	0.4
110.07122	0.7
114.10278	19.8
115.08674	2.6
116.07044	0.4
116.10738	0.8
116.98545	0.4
119.04929	14.0
121.06534	0.6
121.10111	0.3
123.04357	0.5
125.05953	0.7
127.03918	0.8
131.12918	3.7
134.99600	0.4
135.04329	0.3
143.07057	0.8
147.04388	100.0
148.04704	2.4
151.03886	0.4
156.11275	0.4
157.10854	0.7
163.03865	0.9
167.07014	0.7
182.42998	0.3
189.05489	0.3
202.96394	0.3
203.04033	0.5
213.12279	0.7
217.13322	5.0
218.11732	4.3
218.13666	0.6
235.14447	0.5
260.13925	6.5
277.11978	0.4
277.16571	9.0
307.08542	0.3
319.05228	0.4
325.00742	0.6
343.01520	0.3
349.18692	0.4
439.21854	84.6
440.22394	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	439.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16188	0.4
55.02986	1.6
55.05490	0.7
60.05629	1.4
64.39665	0.4
65.03942	0.6
65.22646	0.5
67.05471	0.9
69.03428	0.9
69.07069	0.8
69.97548	3.0
70.06570	3.2
72.08141	16.1
72.18145	0.5
77.63223	0.5
79.05482	1.1
81.03393	0.5
81.07051	1.4
82.02944	0.8
85.02891	1.0
85.06503	0.6
86.09680	0.6
89.03898	1.5
89.10762	1.0
91.05447	2.7
95.04942	0.6
95.08573	1.3
97.02949	0.6
97.06541	0.6
97.07644	8.6
98.02365	0.6
98.06033	1.6
98.21432	0.8
100.09428	0.5
103.05473	0.5
105.07007	1.3
107.04945	1.2
107.08574	0.7
109.02870	0.7
109.10129	0.7
110.02383	30.7
114.09042	1.6
114.10270	53.3
115.08692	2.5
117.03360	2.5
119.04134	0.9
119.04922	9.2
121.06507	0.6
124.07484	0.6
127.03918	0.6
130.08565	0.5
131.04927	0.5
131.12912	2.0
135.04379	5.2
136.06151	1.0
137.06007	0.6
142.03397	0.5
145.02841	4.5
147.04381	44.3
148.04723	1.2
151.08684	1.9
152.07039	22.2
157.10846	0.8
161.05969	2.4
162.05505	0.6
163.03877	33.7
164.04260	0.6
169.09740	1.6
173.05994	0.5
177.05455	1.5
187.07593	0.9
189.09134	1.1
194.09242	2.3
197.05844	0.5
211.11884	8.0
213.09233	0.6
215.07054	1.9
217.13354	1.7
218.11790	2.1
229.08662	1.5
233.12862	1.5
234.11264	1.6
251.13896	0.5
252.32845	0.5
259.09927	0.6
259.15482	1.4
260.13840	2.7
263.19208	0.5
265.08505	0.6
275.14984	2.5
276.13474	1.8
277.16589	9.4
293.16058	6.8
314.52194	0.6
380.14850	1.8
389.90021	0.5
421.24466	4.3
439.19757	100.0
440.19763	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	438.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11172	0.2
55.01855	0.3
55.05487	0.9
57.03416	0.4
63.33531	0.2
65.03924	1.0
65.43878	0.2
67.05494	0.3
68.99725	0.3
69.03401	0.9
69.07036	0.5
70.06573	0.5
71.79305	0.3
72.08138	0.3
79.05467	0.3
81.03388	1.1
81.07044	0.5
82.06557	0.2
84.04490	3.6
84.08128	0.9
85.02873	1.0
86.09695	0.6
87.00795	0.4
91.05469	8.5
92.05811	0.3
93.06997	0.3
94.06532	0.2
95.04954	0.5
97.02863	0.6
99.04435	0.4
103.03925	0.4
103.05446	0.8
104.29538	0.2
105.07009	0.4
107.04910	0.3
109.02843	0.7
111.04408	0.3
112.07560	1.4
114.09109	0.5
114.12740	0.3
117.06964	0.5
119.04924	21.8
120.05242	0.9
121.06494	0.8
124.03929	0.3
126.05521	0.6
127.03902	0.6
130.08618	29.2
131.04895	1.0
131.08894	0.4
133.10178	0.5
136.06155	5.3
137.05923	0.5
138.05524	0.3
141.05286	0.3
145.06473	0.5
146.06023	0.4
147.04382	100.0
148.04726	3.0
151.07487	0.5
157.06438	0.3
163.03810	0.3
163.05070	0.3
163.07539	1.9
165.05453	0.7
167.07018	0.3
167.08574	0.3
171.06300	0.3
177.09059	0.6
188.07042	0.4
189.09006	0.3
230.08125	0.3
238.69974	0.2
290.21027	0.7
291.08649	0.8
292.13840	3.0
306.20575	1.2
309.09689	3.3
317.08487	0.3
394.22232	0.4
420.22577	0.5
421.24448	0.4
438.16891	0.8
438.21506	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	438.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
56.05034	8.4
57.03419	2.4
58.99580	11.9
60.74497	1.4
61.01129	3.9
67.05470	1.9
68.05014	5.1
69.03428	2.9
70.02935	5.9
70.06583	4.4
71.04996	2.5
71.78574	2.3
72.04507	3.9
72.08121	1.5
72.19141	1.3
72.74948	1.2
74.00298	1.4
74.00648	10.0
76.02225	16.8
76.03994	6.4
80.04999	5.2
82.06559	1.6
83.06085	5.6
84.04495	87.0
84.08125	2.8
85.01118	29.3
85.02894	5.6
85.04011	3.7
85.04822	1.4
85.06538	1.7
86.00638	28.2
86.99043	61.9
87.02698	1.7
88.02203	4.4
89.00627	2.3
92.01711	1.4
95.04958	4.1
96.04483	3.9
97.01102	8.1
97.06518	13.5
98.00644	2.6
98.06057	2.1
100.02179	5.7
102.03750	19.2
102.05526	12.1
108.04478	2.9
109.02824	1.8
109.07637	3.4
110.06071	1.7
110.07197	1.4
112.01450	2.8
112.02176	30.7
112.02887	2.5
112.03935	2.9
113.00622	1.8
113.06013	2.8
114.00096	2.4
114.03748	12.4
114.05495	2.5
114.09101	2.0
115.02155	1.5
116.01678	19.0
124.02183	1.9
126.03708	2.1
127.02141	5.1
128.05334	2.6
129.06575	4.6
130.03250	17.5
130.04980	28.2
131.04510	2.4
132.01166	3.4
136.07553	1.9
137.08357	4.6
140.01645	3.2
140.07108	1.5
142.03200	16.8
143.02716	29.8
144.01134	6.2
144.04721	1.8
145.06059	4.5
147.04416	2.0
153.06601	1.8
155.08139	4.4
156.06511	3.4
158.02739	7.6
162.02180	7.8
163.03894	2.2
168.04765	3.8
169.04344	8.5
169.05780	1.6
170.02681	2.3
170.06334	7.5
171.02220	7.7
172.07771	1.7
177.03310	8.4
179.04813	8.6
181.06075	3.8
185.03824	2.2
188.03748	3.3
188.07338	3.6
189.03268	100.0
196.04318	10.2
196.05841	1.5
199.07211	2.1
205.06409	7.9
206.08432	4.0
215.04826	45.6
217.06439	9.0
224.03775	5.5
227.05060	2.0
233.05885	17.0
243.04277	1.8
245.05907	1.9
257.09613	4.3
259.07440	2.2
269.05957	3.2
273.08990	2.0
287.06885	18.4
291.10077	31.1
309.11203	3.6
331.17532	1.6
345.07422	4.4
345.11224	2.8
362.10132	8.3
420.14108	3.0
438.15656	12.2
439.16379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	6.5
57.03432	0.6
68.11707	0.6
69.03405	1.1
69.70691	4.7
70.00964	0.6
70.06595	1.2
70.98111	1.6
74.97585	0.9
81.03436	0.7
84.04497	0.8
85.02884	2.6
93.19760	0.6
94.06560	2.1
96.08108	1.9
97.02872	1.1
98.97554	8.9
101.00890	0.9
102.95206	0.6
108.42799	0.5
110.97562	1.8
112.02219	0.6
114.09146	3.8
116.98601	5.7
119.01917	1.0
120.01979	0.8
124.78859	0.6
127.03866	1.2
128.98570	2.4
130.08624	1.4
131.01936	0.9
133.01695	0.7
133.03450	0.7
134.99649	3.0
143.00186	1.2
143.01871	0.8
145.03484	0.7
145.04909	1.3
146.02415	0.7
146.99648	1.4
147.04327	1.0
152.03769	0.7
154.05342	1.0
155.01956	0.9
158.99654	3.0
160.09665	1.1
161.02927	1.1
162.03044	0.7
170.04878	14.1
170.99620	1.3
172.06438	18.7
173.02946	1.6
177.00739	4.1
186.06654	0.9
188.05940	15.0
189.00661	2.4
190.07491	22.6
191.02281	1.6
198.04350	17.3
203.03970	0.7
206.07050	1.1
206.44972	0.7
207.01787	1.9
208.08601	1.1
209.03238	0.9
212.05937	0.9
216.05418	100.0
217.05721	1.7
219.01700	1.4
231.07159	0.8
232.07210	0.8
233.03267	1.5
234.06470	47.2
235.06860	1.0
237.02788	1.7
239.06985	2.9
246.05287	0.8
251.04280	1.4
252.07449	1.5
257.08090	1.1
258.06427	74.0
259.06723	1.5
267.06296	1.0
270.06445	5.4
275.04419	0.7
276.07529	35.0
277.08112	0.8
277.11368	0.9
279.03918	3.4
288.04224	1.3
288.07483	24.7
297.05002	1.0
299.09097	2.4
306.08347	3.8
318.08487	3.9
348.09482	5.6
378.10590	1.3
438.15039	1.2
438.20459	1.4
439.07913	6.4
439.13797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3407
Annotation	Alertenone
Peak:m/z	Relative Intensity
50.51669	1.2
53.03934	2.0
55.01875	1.4
55.05500	9.7
57.07054	5.8
65.03925	2.8
67.05498	23.4
69.03416	2.0
69.07061	25.3
71.04980	3.6
71.08628	1.0
79.05478	17.4
81.03380	1.3
81.07043	53.1
83.04958	2.3
83.08602	8.7
85.06531	2.1
91.05467	21.8
93.07033	38.9
94.91196	1.0
95.04964	5.6
95.08595	53.5
97.06540	2.5
97.10154	4.2
98.21441	3.1
103.05442	1.6
105.07012	33.9
105.07702	2.0
107.04919	1.8
107.08579	53.8
109.06503	3.6
109.10142	38.8
111.08072	2.1
111.11689	1.5
113.14030	1.3
117.06995	6.1
119.08569	42.5
121.06495	3.5
121.10123	48.8
123.08056	12.9
123.11693	54.0
125.05965	1.2
125.09606	4.8
127.11188	1.4
129.06973	2.9
130.07747	1.1
131.08549	14.1
133.10115	30.7
135.08014	3.8
135.11681	42.4
137.09616	2.3
137.13251	11.0
139.07541	1.3
142.07742	1.7
143.08543	8.0
145.10109	26.2
147.08038	2.6
147.11658	25.3
149.09566	5.1
149.13249	18.0
151.07491	1.9
151.14792	1.4
155.08575	3.6
156.09306	2.3
157.10109	10.1
158.10840	1.7
159.08060	1.9
159.11664	19.9
161.09575	2.7
161.13242	19.0
163.07544	1.9
163.11249	2.3
163.14803	12.5
165.09065	3.3
169.10101	3.9
170.16824	1.2
171.11673	10.6
173.09521	1.9
173.13223	14.5
174.13860	1.3
175.11185	2.4
175.14767	8.2
177.09119	3.5
177.12787	1.9
177.16347	5.7
179.10680	2.8
181.10123	2.2
182.11038	1.4
183.11694	4.0
185.09628	1.6
185.13231	7.8
186.14050	1.3
187.11243	1.2
187.14777	14.9
189.12718	2.4
189.16380	20.3
191.10674	4.3
191.14322	1.8
191.17941	11.7
195.11696	1.6
197.13297	4.2
199.14792	6.5
201.16351	14.1
203.14417	1.4
203.17941	15.5
205.12233	1.6
205.74167	1.0
209.13295	2.3
211.01053	1.1
211.14822	5.4
213.16350	4.8
215.14330	2.3
215.17905	6.1
217.15891	2.7
217.19398	5.5
219.13821	3.0
221.15395	2.3
223.14642	1.6
225.16391	2.3
227.17984	4.9
229.15952	4.2
229.19432	2.6
231.17477	1.2
233.15404	3.6
239.18002	3.1
241.19502	2.8
243.17566	1.2
243.21028	2.9
245.15324	2.8
247.16914	15.1
253.19543	3.0
255.21074	3.6
257.15247	1.2
257.19055	1.4
257.22394	1.5
259.16815	2.1
265.19608	1.8
267.20941	1.2
269.22498	1.2
279.21127	1.4
285.18213	1.2
293.22705	1.3
295.24200	2.2
301.21649	1.9
313.21609	2.6
315.23087	5.9
349.28931	1.9
351.26926	1.2
369.27878	3.4
377.32053	4.0
381.27536	1.5
391.33606	3.5
401.31989	3.1
409.34494	1.8
419.33011	12.2
437.34131	100.0
438.34427	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	437.3408
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.01858	1.9
55.05496	8.8
57.07059	5.0
65.03934	1.4
67.05496	15.8
69.03410	2.5
69.07060	16.4
70.94766	4.7
71.04979	14.9
79.05475	11.2
81.03426	2.1
81.07044	40.3
82.07365	1.8
83.04973	2.2
83.08601	6.0
85.02897	2.5
85.06533	1.9
86.09661	1.4
89.06017	2.4
89.19473	1.4
91.05460	19.8
93.07029	29.4
95.04968	4.8
95.08588	54.6
95.50227	1.3
97.02892	2.2
97.06518	2.1
97.10190	2.6
98.20706	1.2
99.04426	1.8
99.08083	2.4
102.75320	1.2
105.07011	30.7
107.08573	42.4
107.92559	1.2
108.04437	3.5
109.02863	2.0
109.06519	3.5
109.10146	24.0
111.08055	1.3
111.11673	1.5
113.05972	3.6
117.07004	9.2
119.08566	29.8
121.06494	3.6
121.10127	26.6
123.08056	3.5
123.11697	18.2
125.09614	17.3
126.55412	1.5
127.11185	3.3
128.06184	1.6
129.06979	5.9
131.08556	16.4
133.10114	22.9
135.08061	4.3
135.10675	1.1
135.11661	27.8
137.05914	1.5
137.09679	1.9
137.13219	11.6
141.07053	2.6
142.07782	1.7
143.08548	12.8
143.10661	3.8
144.09166	1.4
145.10098	26.5
147.08026	2.9
147.11659	20.1
149.09622	4.5
149.13235	18.4
151.11214	1.7
151.14784	2.9
153.06978	1.5
153.09067	1.4
155.08490	6.2
155.10640	1.9
156.09331	2.1
157.10106	18.1
159.08105	2.1
159.11671	30.0
160.12399	1.3
161.09590	9.6
161.13246	17.4
163.11209	3.0
163.14815	7.6
169.10118	6.5
171.11638	11.9
173.09596	3.1
173.13260	12.8
175.11198	4.9
175.14778	20.5
177.12741	3.5
177.16376	5.2
179.10699	4.0
181.10104	2.6
183.11690	5.9
185.13197	13.6
185.14476	1.2
187.11176	2.3
187.14786	15.4
189.12833	2.7
189.16376	18.2
191.14311	3.1
191.17920	18.0
195.11641	4.6
197.13254	9.4
199.11130	2.3
199.14764	8.3
201.12778	4.8
201.16368	8.6
203.17844	7.8
209.13255	4.0
211.14764	7.4
213.12781	3.4
213.16333	7.7
215.14352	5.4
215.17967	4.3
217.19373	1.6
223.14818	2.5
225.16341	5.6
227.14308	1.8
227.17952	4.0
229.15887	7.0
229.19489	3.2
237.16397	3.4
239.17880	4.3
241.15901	1.6
241.19417	2.8
243.21173	1.8
245.22586	2.8
247.16920	4.2
249.16313	1.8
251.18028	3.0
252.18697	3.3
253.19586	5.1
255.21097	2.6
257.19003	2.1
261.18509	4.0
265.19443	3.0
267.21045	2.4
275.20181	2.4
279.21088	2.9
280.21805	1.8
281.19012	4.2
283.20728	2.0
291.21158	1.8
293.22592	2.9
295.24161	35.2
311.23532	2.0
323.27396	5.4
327.22864	1.7
333.25687	7.6
349.25003	2.5
349.28870	18.2
351.26770	22.7
367.29999	7.5
376.27600	1.6
419.33026	24.6
420.33719	1.8
437.34119	100.0
438.34464	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
54.13715	1.5
55.05503	16.5
57.07063	6.1
67.05500	17.1
69.06728	2.4
69.07066	23.8
69.54313	13.2
79.05480	17.3
81.07047	49.4
83.08609	23.8
91.05472	20.5
93.07034	40.8
95.04951	3.3
95.08595	78.3
97.10149	7.8
98.20722	3.2
105.07016	55.4
107.08578	77.8
109.06493	3.5
109.10146	53.8
117.07021	7.6
119.08563	69.3
121.10126	67.8
122.10444	1.9
123.11691	30.6
129.06998	4.8
131.08534	20.8
133.10117	55.8
135.11676	81.3
137.09639	2.0
137.13222	17.2
139.07596	1.6
143.08553	8.6
144.09283	1.9
145.10101	33.1
147.11667	43.6
149.13232	49.2
151.07501	2.3
151.14809	4.4
155.08478	3.7
157.10118	14.8
159.11678	28.6
161.13213	25.6
163.14806	23.9
169.10124	3.0
171.11711	17.0
172.12392	1.9
173.13264	21.3
174.13991	2.1
175.07567	1.8
175.14789	27.9
177.16373	42.9
183.11717	4.7
185.13258	12.9
187.14804	25.9
189.16382	37.7
191.10716	1.9
191.17924	23.5
197.13284	6.0
199.14763	12.3
201.16354	52.6
203.17937	95.2
204.18413	2.0
205.12204	2.5
205.19548	4.7
211.14749	4.0
213.16374	18.7
215.17924	21.6
217.12225	2.4
217.19470	12.7
219.13783	2.2
225.16354	3.3
227.17949	7.9
229.19484	10.0
233.15331	4.6
239.17947	5.8
241.19542	11.8
243.21010	3.9
245.15398	2.7
247.16861	3.4
253.19539	7.4
255.20981	8.3
259.16989	10.9
261.18472	2.7
267.20938	3.9
269.22632	7.1
273.18442	5.1
281.22610	5.9
285.18491	4.0
287.19974	3.9
299.20071	5.6
313.21518	2.0
327.22946	4.3
335.27252	2.0
391.33566	24.0
419.33154	2.5
437.34128	100.0
438.34390	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
53.22290	1.5
55.05495	11.8
57.07064	7.9
67.05490	18.7
69.07058	24.9
71.24655	4.2
79.05475	13.5
81.07043	59.1
83.08601	12.7
91.05440	13.2
93.06432	1.6
93.07027	37.3
95.08588	100.0
97.10140	4.9
105.07014	25.8
107.08575	58.0
109.06520	1.9
109.10142	32.8
110.34474	1.4
111.11702	2.4
117.06991	4.8
119.08556	41.8
121.10124	41.0
123.11689	21.3
128.06172	1.8
129.06976	1.9
131.08537	14.0
133.10103	26.8
135.11662	42.8
137.13232	38.5
138.13690	1.6
143.08539	6.5
145.10088	22.0
147.11646	16.6
149.12085	3.3
149.13229	48.4
151.14839	3.5
155.08514	2.2
156.09319	2.5
157.10089	11.1
159.11685	17.2
160.12415	2.5
161.13229	18.4
163.14793	5.1
169.10091	3.6
171.11644	15.7
173.13234	13.0
175.14812	11.7
177.16351	35.5
179.17941	2.0
183.11601	3.2
185.13223	10.2
187.14793	16.9
187.16354	2.3
189.09138	1.9
189.16353	21.3
191.17909	15.9
197.13272	5.6
199.14764	12.5
201.16354	27.2
203.17917	37.9
205.12132	2.4
205.19612	2.8
211.14825	4.7
213.16342	19.2
215.17879	12.3
217.12247	2.6
217.19453	6.4
219.13844	2.1
227.18004	3.7
229.19489	4.0
231.21164	1.6
233.15305	1.6
239.17868	8.6
241.19444	20.5
243.20992	3.2
245.15353	4.6
247.17017	4.1
253.19514	4.3
255.21088	6.3
259.16934	14.1
267.21112	4.9
269.22595	4.3
271.16821	1.7
273.18307	2.5
281.22446	2.0
284.85962	1.6
285.18597	5.7
287.19965	6.5
299.20087	4.8
301.21347	2.1
313.21600	5.2
349.28937	2.6
384.32120	2.1
385.30853	2.2
391.33487	21.5
402.33673	3.1
412.91132	1.8
437.34091	67.6
438.34409	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.3
55.05506	10.6
57.07077	5.3
65.03938	1.7
67.05495	22.2
69.07056	20.8
69.07410	1.6
69.71657	5.6
69.72073	1.5
71.05001	2.3
71.08623	1.6
73.38360	0.8
79.05482	11.9
81.03434	1.1
81.07044	52.8
82.07404	1.7
83.04984	2.0
83.08611	7.6
85.06561	1.4
91.05452	13.6
91.05922	0.9
93.07028	26.7
95.04983	2.7
95.08597	64.4
96.08956	1.2
97.06522	1.4
97.10175	3.0
103.05481	1.4
105.07013	30.2
107.04996	1.3
107.08576	40.5
108.08903	0.9
109.06517	2.2
109.10139	34.4
111.08104	1.5
111.11720	1.2
117.06996	6.5
119.08569	48.0
121.06557	1.0
121.10129	36.8
121.15939	0.9
123.11691	17.3
123.12486	1.1
125.09647	2.0
128.06190	1.3
128.27449	0.9
129.07018	3.3
131.08546	14.9
131.09402	1.0
133.10114	28.8
133.44231	0.9
135.11681	29.7
137.09547	1.1
137.13217	9.1
142.07806	1.7
143.08543	7.7
144.09308	1.3
145.08974	2.4
145.10103	33.5
147.08095	1.6
147.11670	22.9
149.09615	2.3
149.13252	16.0
151.11153	1.2
151.14767	7.1
153.09167	2.0
153.12750	1.2
155.08553	4.9
156.09427	1.5
157.10109	11.4
159.11678	23.5
160.12138	1.0
161.09648	1.1
161.13219	15.4
161.28275	1.0
163.07608	1.1
163.11276	1.5
163.14804	22.1
163.16148	1.3
169.10077	6.4
171.11650	13.7
172.12437	1.2
173.13234	15.5
173.14523	1.3
174.13980	0.8
174.47435	1.0
175.11324	1.0
175.14789	27.9
176.15244	1.5
177.09196	1.4
177.12860	1.8
177.16365	11.5
177.17691	1.1
179.10707	1.5
179.14365	1.5
181.10129	1.6
183.11635	7.2
185.13226	8.4
186.13983	1.9
187.11275	1.1
187.14775	13.7
189.12854	2.6
189.16364	32.3
190.16820	1.3
191.10469	1.1
191.17897	12.8
193.15868	1.1
195.11784	2.6
197.13286	6.1
199.11147	1.0
199.14813	9.3
201.12848	2.1
201.16367	31.4
203.17923	26.5
205.19670	1.8
207.17693	1.0
209.13344	3.1
209.15375	1.8
211.14734	7.5
212.15613	1.8
213.16350	12.8
213.18134	0.9
215.14507	1.9
215.17947	15.3
215.20006	0.9
217.12306	2.3
217.15999	1.4
217.19571	6.1
219.13857	1.6
221.15399	1.9
223.14996	2.9
225.16339	4.7
225.41141	0.9
227.14447	1.4
227.17929	4.9
229.15961	2.6
229.19466	7.4
231.17590	1.2
231.21411	1.1
235.17216	1.1
237.16451	3.2
239.17921	7.6
241.19489	14.5
243.17433	1.2
243.21040	14.0
245.15512	2.6
247.16962	6.2
251.18063	1.8
253.19502	5.6
255.17451	1.1
255.18690	1.0
255.21071	6.7
257.19412	1.6
259.17102	3.8
259.20639	2.5
261.18787	1.2
265.19693	1.4
267.20969	5.3
269.19211	1.0
269.22836	1.5
271.16943	1.8
273.18573	2.2
279.21185	1.8
281.22903	2.2
285.18506	7.4
285.21713	1.0
287.20206	4.0
295.24332	3.2
299.20203	3.4
301.21725	1.7
307.24036	2.2
313.21826	3.6
315.23257	1.0
321.25940	2.1
322.90057	1.1
323.23782	1.0
327.23416	1.6
335.27179	4.5
349.28986	1.4
353.24960	1.4
381.28174	2.4
391.29715	2.2
391.33725	20.0
392.34375	1.2
393.31763	1.0
395.29794	1.1
419.29236	2.7
419.33948	2.0
437.34457	100.0
438.29944	1.4
438.34970	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	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05503	13.7
57.07066	5.9
65.03932	1.4
65.37843	0.9
67.05494	22.0
67.44691	1.0
69.00555	1.0
69.07059	22.1
70.06584	1.1
71.04975	1.3
71.08627	1.6
71.78719	1.4
77.03930	1.3
79.05482	14.7
81.03411	1.3
81.07044	46.4
82.07396	1.3
83.04942	1.7
83.08604	13.8
85.06533	1.3
89.25502	1.0
91.05455	15.2
91.27581	1.2
93.07033	30.4
95.04941	3.1
95.08590	66.8
96.08927	1.3
97.06518	1.8
97.10155	6.9
98.98466	1.4
102.09173	1.8
105.07011	31.7
107.04990	1.7
107.08576	36.4
109.06480	2.1
109.10145	37.4
111.08076	1.1
111.11678	2.3
117.06995	7.1
119.08560	35.1
121.06486	1.7
121.09234	1.9
121.10123	31.9
123.07980	1.6
123.11687	19.1
125.05945	1.6
125.09614	1.6
129.06984	5.4
130.07762	2.1
131.08551	23.2
133.10112	26.5
135.08058	2.2
135.10728	2.1
135.11678	25.3
137.09625	3.0
137.13243	16.6
141.07001	1.7
142.07779	1.3
143.08537	10.4
144.09328	1.5
145.10104	26.8
147.11659	19.7
149.09608	3.5
149.13225	17.2
151.07472	1.1
151.14780	4.4
155.01079	1.1
155.08566	2.9
157.10107	13.9
158.10960	2.1
159.11656	19.7
161.13228	15.6
163.03940	2.7
163.11179	1.6
163.14835	8.6
164.04230	1.6
165.09044	2.1
165.12700	1.3
165.16457	1.1
168.09279	2.6
169.10110	9.4
171.11652	14.9
172.12369	1.4
173.09599	1.9
173.13213	18.6
175.11128	1.5
175.14793	10.6
177.12672	2.2
177.16380	5.2
179.14279	1.5
179.17906	2.0
181.10204	1.9
181.12079	1.2
182.10727	1.2
183.11644	9.8
185.13222	22.8
187.11240	1.3
187.13234	1.5
187.14786	42.2
188.15068	1.1
189.09103	1.6
189.12746	2.0
189.16386	15.5
191.10684	4.1
191.14224	1.1
191.17920	21.6
193.12190	1.4
195.11696	2.5
197.13222	10.9
199.11116	1.5
199.14757	12.4
201.12810	1.6
201.16356	21.8
201.18141	1.8
203.14275	1.3
203.17917	19.8
205.12215	2.7
205.15814	1.8
205.19511	9.0
207.06573	2.4
208.06871	2.8
209.13254	3.2
211.14822	7.8
213.12732	1.1
213.16328	12.9
215.10689	1.3
215.14290	3.6
215.17969	5.7
217.12299	3.9
217.19499	7.9
219.13857	5.4
219.17409	6.7
219.21223	1.8
223.14777	2.9
225.16348	4.6
227.17860	5.2
229.12224	1.1
229.15889	2.0
229.19482	2.1
231.13826	4.5
231.17270	1.9
231.21117	2.9
233.15338	10.1
237.16345	1.4
239.17941	11.4
241.19511	7.9
243.13698	2.2
243.17496	1.5
243.21034	2.5
245.15280	5.1
245.22595	1.8
247.16902	7.8
251.17999	1.4
253.19444	9.5
255.20944	4.8
257.15350	2.8
257.19092	1.8
257.22522	1.3
257.26602	2.1
259.16904	6.3
265.19458	2.0
267.20975	5.4
269.22601	1.9
271.16867	2.9
273.18448	3.6
281.18954	1.7
281.22470	2.5
283.22861	1.7
284.17749	1.5
285.18402	6.6
287.20203	3.7
295.24261	1.1
299.19946	6.1
305.22852	1.2
307.24292	1.2
313.21704	4.9
321.25696	1.2
327.23016	1.3
335.27264	1.6
339.23178	1.4
345.23782	1.1
365.24545	1.3
367.26358	2.0
377.27969	1.7
391.33707	17.7
409.34573	5.0
419.28271	1.9
419.33011	4.6
437.34470	100.0
438.25098	2.1
438.34521	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38444	0.7
53.03931	1.0
54.02145	0.6
55.05490	4.8
55.60627	0.7
57.07066	4.9
61.39560	0.6
67.05493	5.2
69.07053	6.1
69.52917	7.1
71.08600	1.2
79.05479	6.9
81.07043	16.5
83.08604	5.5
85.10184	0.7
89.06057	0.7
91.05454	8.7
91.54694	0.6
93.07028	17.2
95.04942	1.6
95.08585	16.6
97.10126	0.9
99.26614	0.6
105.07012	15.7
107.08573	37.8
109.06514	1.8
109.10125	10.2
114.31008	0.7
117.06993	1.8
119.08556	16.3
120.09364	1.3
121.10124	39.2
122.10922	1.1
123.08079	0.8
123.11680	23.9
129.06949	2.2
131.08549	6.8
133.10112	8.9
135.11670	100.0
136.12009	1.8
136.74498	0.6
137.09627	0.7
137.13216	7.5
143.08539	4.1
145.10091	9.0
147.11662	7.6
149.13231	55.9
150.13562	0.9
151.14807	2.7
157.10089	4.3
159.11635	4.8
161.13214	4.3
163.14812	2.3
169.10225	0.7
171.11662	5.7
173.13239	6.0
175.14803	6.1
177.09093	0.8
177.16354	29.3
178.16808	0.9
185.13306	3.1
187.14696	4.3
189.16367	2.5
191.10663	0.9
191.17966	2.0
193.19518	1.3
199.14764	5.8
201.16345	4.9
203.17975	3.0
211.14813	1.2
213.16325	9.2
215.17923	7.2
227.17917	1.2
229.19489	1.2
233.15262	0.9
239.17941	1.4
241.19489	3.9
243.21083	1.7
253.19434	1.0
255.21091	2.7
259.16907	6.7
267.21170	1.2
269.22577	6.8
285.18768	0.8
287.20041	0.8
293.73819	0.7
301.21555	0.9
301.72961	0.8
313.21613	0.9
315.23282	1.1
333.36621	0.7
391.33694	2.9
419.34262	1.1
437.34149	20.7
438.34576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97397	1.0
53.03942	1.4
55.05501	15.4
57.07074	6.6
57.16401	0.9
64.01563	0.8
65.03918	1.9
67.05178	1.3
67.05497	16.1
68.48118	0.9
69.07056	22.5
71.08612	1.9
79.05482	17.1
81.07041	39.5
83.08609	21.4
85.06530	0.8
85.10162	0.9
87.00293	0.8
91.05461	20.6
93.07027	40.7
95.04959	3.0
95.08592	60.1
97.10148	5.6
105.07012	54.5
106.06187	1.0
107.08576	77.6
109.06497	2.1
109.10139	47.3
110.10452	1.1
111.08075	1.4
117.07000	8.9
119.08564	65.1
121.10128	58.1
123.08098	1.1
123.11689	31.6
129.06950	4.8
131.08542	23.9
133.10104	53.4
135.11671	81.4
136.12094	1.0
137.09573	1.5
137.13245	8.8
143.08530	9.6
144.09265	1.3
145.10107	30.0
147.08109	1.1
147.11662	39.6
149.05891	1.3
149.13239	45.2
151.07567	1.6
151.14809	4.8
155.08487	1.5
156.09181	1.0
157.10098	11.9
159.11670	25.6
160.12381	1.0
161.09612	1.3
161.13248	25.3
163.14795	34.7
165.09128	2.0
165.16417	1.1
165.53349	0.9
169.10118	3.3
171.11674	13.4
172.12398	0.9
173.09599	1.6
173.13242	19.5
175.14799	29.6
177.09024	1.2
177.16359	44.1
178.16698	1.1
179.10637	2.0
179.17928	1.8
181.10106	1.2
183.11658	4.1
185.13237	16.0
187.14795	24.1
189.14644	2.0
189.16360	36.0
191.10681	2.1
191.17921	27.3
193.15915	2.1
195.11653	1.4
197.13249	3.4
199.14774	13.6
201.16353	56.8
203.10561	1.3
203.17921	93.3
204.18321	2.8
205.12247	3.1
205.19495	4.5
211.14793	2.8
213.16371	15.8
215.14551	1.0
215.17918	18.9
217.12250	1.3
217.19482	10.6
219.13693	2.4
219.17503	1.3
223.14767	1.3
225.16306	4.8
227.17888	7.3
229.19476	8.9
231.13747	1.6
231.17395	1.6
231.21022	1.3
233.15285	6.9
237.16350	1.0
239.17921	3.8
241.19479	6.3
243.21069	3.1
245.15404	3.3
247.16919	3.7
253.19470	6.4
255.21062	7.4
256.60101	1.0
257.22702	1.2
259.16931	8.1
261.18533	2.2
267.20895	4.4
269.22601	6.7
271.16956	2.4
273.18466	5.3
281.19928	1.0
281.22626	6.7
285.18463	2.3
287.20044	2.1
295.24020	1.5
299.20163	4.6
301.21539	1.0
313.21664	2.2
321.25681	1.1
327.23135	3.9
335.27158	1.4
341.24832	1.2
349.28833	1.4
367.26300	4.1
381.27789	1.3
382.75137	1.1
391.33493	17.4
391.38452	1.3
395.29089	1.3
419.33743	3.5
437.34125	100.0
438.34674	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01856	0.6
55.05502	13.2
57.07065	6.6
59.08231	0.5
62.48279	0.5
65.03927	1.9
67.05492	27.0
69.03411	0.9
69.07054	27.0
69.48473	6.8
71.04974	1.1
71.08621	1.1
77.03902	0.9
79.05477	20.9
81.03394	0.6
81.07040	61.7
82.07365	1.0
83.04968	3.7
83.08604	9.4
83.48417	0.5
85.02880	1.0
85.06534	1.0
88.24659	0.5
91.05462	20.7
93.07027	44.4
93.71259	0.5
94.07330	0.7
94.07858	0.7
95.04955	5.3
95.08590	63.3
96.08909	0.8
97.02865	1.6
97.06493	2.5
97.10145	3.5
103.05445	1.5
105.07013	38.7
106.07301	0.7
107.04903	1.0
107.08572	64.1
108.08865	1.0
109.06498	4.1
109.10139	45.5
110.10524	0.8
111.08051	1.9
111.11716	1.6
115.05459	1.3
116.06223	0.7
117.07015	6.4
119.08559	50.3
121.06499	2.7
121.10125	60.5
122.10442	1.2
123.04399	1.4
123.08069	4.1
123.11683	64.2
124.12054	1.4
125.05981	2.5
125.09602	2.2
125.13267	0.6
128.06187	0.8
129.06973	3.9
129.49524	0.6
130.07758	1.4
131.08542	17.0
132.08922	0.5
133.06467	0.7
133.10098	34.1
134.10425	0.7
135.08037	2.8
135.11664	44.6
136.12032	0.8
137.09579	1.6
137.13223	12.4
137.88043	0.6
139.07516	3.0
139.11229	1.0
141.06938	1.1
142.07787	1.5
143.08539	9.1
144.09302	1.9
145.06390	1.0
145.10103	28.7
146.10669	0.7
147.08014	2.3
147.11661	27.1
148.11989	0.9
149.05959	1.1
149.09599	4.1
149.13225	21.4
151.07520	1.6
151.11134	1.1
151.14810	1.2
153.09070	1.8
155.08501	3.1
156.09302	1.4
157.10101	12.1
158.10898	1.9
159.08058	2.2
159.11667	26.2
160.12340	0.9
161.09631	2.3
161.11867	1.2
161.13225	24.6
163.07521	2.4
163.11154	2.0
163.14793	14.0
165.09071	2.8
167.08488	0.9
167.10658	1.0
169.10123	4.3
170.10902	1.6
171.11679	8.8
172.12462	0.7
173.09596	2.0
173.13219	17.3
175.11171	1.3
175.14795	14.4
177.09085	4.1
177.12755	1.6
177.16321	6.5
179.10622	2.8
181.10107	0.7
183.11638	4.8
184.12334	0.9
185.09689	0.7
185.13223	8.9
186.14014	0.8
187.11192	1.8
187.14774	18.0
189.09026	1.1
189.12727	1.3
189.16348	21.2
189.17993	1.2
190.16884	1.0
191.10614	5.1
191.14305	0.8
191.17917	13.5
193.12303	1.3
195.11664	1.6
197.13228	3.5
199.11128	0.7
199.14749	6.5
200.15273	0.6
201.12718	1.5
201.16345	15.8
203.10669	0.8
203.14333	2.4
203.17918	15.8
205.12221	2.1
205.15955	1.0
207.13731	1.2
209.13272	1.5
211.14751	4.5
213.12735	0.6
213.16348	6.0
215.14214	1.7
215.17900	7.1
217.12241	1.1
217.15947	1.9
217.19476	6.0
219.13707	3.5
219.17416	0.6
221.15375	2.9
223.14798	2.1
225.16370	2.5
227.12550	0.7
227.14526	0.7
227.17902	4.5
229.12227	0.9
229.15849	1.7
229.19411	3.1
231.13771	2.7
231.17310	1.0
231.21063	0.7
233.15343	4.7
235.16968	1.0
237.16389	1.1
239.17957	2.6
241.15857	0.8
241.19460	2.6
243.17514	0.9
243.21111	2.2
245.15308	4.7
247.16910	14.6
249.18619	0.9
251.17967	1.0
253.19516	3.3
255.17381	0.8
255.20992	4.2
257.19031	1.6
257.22507	0.9
259.16943	1.9
261.18399	0.8
265.19421	1.0
267.21179	1.3
269.19046	1.4
269.22675	1.6
271.16989	1.6
273.18573	1.4
275.20285	1.2
279.21100	1.3
281.22708	1.9
283.20605	0.9
283.24002	0.7
285.18512	2.2
285.22098	0.9
287.20090	1.2
293.22540	0.7
295.20477	0.9
295.24005	0.8
297.22089	1.5
299.20065	1.6
301.21643	2.5
305.22617	0.8
307.24161	1.4
313.21622	4.6
315.23151	5.8
321.25696	0.8
325.21927	0.7
327.23251	0.9
341.24875	0.9
345.18149	0.6
355.26587	0.8
367.26074	1.0
369.27914	2.6
375.30420	0.7
377.32166	4.0
381.27869	2.2
391.33551	2.7
395.29553	1.5
401.32132	1.0
409.34830	1.0
419.33017	7.8
420.33649	0.7
437.34103	100.0
438.34537	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	437.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
55.05503	10.8
57.07026	3.6
65.03890	1.8
67.05498	19.0
69.07061	13.2
70.38931	4.4
71.04967	1.2
71.08576	0.9
71.52508	1.0
79.05481	14.1
81.03379	1.1
81.07045	33.3
82.39944	1.0
83.04939	1.7
83.08604	6.7
84.83005	0.9
85.06506	1.9
91.05463	19.1
93.07030	26.5
95.04910	2.8
95.08591	39.1
97.06484	1.5
97.10127	2.3
99.84056	0.9
103.05354	1.1
105.07016	32.7
107.08577	36.5
109.06453	2.3
109.10141	27.6
111.08046	2.4
114.09148	1.4
115.05366	1.6
117.06991	8.5
119.08567	49.1
121.06482	1.7
121.10134	49.1
122.10384	1.3
123.08016	4.6
123.11693	13.6
125.09539	3.4
128.31827	0.9
129.07010	5.2
130.07738	1.5
131.07660	1.3
131.08554	19.5
131.57692	1.0
133.06447	1.9
133.10114	32.7
135.07930	3.9
135.11676	25.6
137.09526	3.8
137.13283	5.0
139.11015	1.1
141.06947	1.7
143.08539	8.3
144.09306	2.2
145.06377	2.6
145.10104	49.7
147.08032	9.3
147.10590	1.3
147.11661	20.2
149.09584	7.2
149.13234	13.6
151.11029	3.3
151.14732	1.4
153.08983	2.1
155.08411	3.7
156.09279	2.1
157.10126	20.5
158.10750	3.8
159.07930	3.0
159.11691	24.0
160.09628	1.6
161.09584	2.4
161.13243	27.2
163.07478	1.2
163.11105	2.4
163.14803	15.5
165.09065	4.6
169.10114	7.8
170.10744	1.4
171.11685	12.9
172.12463	5.8
173.09615	4.9
173.13237	24.0
175.11115	1.7
175.14799	16.7
176.15074	1.1
177.09062	1.3
177.12610	3.3
177.16377	9.1
179.10559	3.1
179.14064	1.6
182.10745	1.4
183.11647	8.8
184.12248	1.4
185.09543	1.6
185.13211	10.0
187.14790	70.7
188.15100	2.4
189.08994	1.1
189.12613	3.2
189.16365	19.5
191.14204	2.1
191.17876	5.2
193.10074	1.5
195.11555	3.3
195.13507	1.0
197.13234	6.9
198.13817	1.3
199.10994	1.3
199.14799	12.6
201.12535	2.0
201.16368	16.7
203.14156	3.0
203.17923	12.5
205.15785	1.1
207.11623	2.1
207.13570	1.9
209.13100	2.5
211.14725	5.2
213.16393	12.4
215.14297	26.1
215.17859	16.0
216.14536	1.3
217.15778	1.8
217.19408	1.1
219.11412	1.2
219.13571	1.6
221.13071	2.1
223.14670	3.2
225.16385	6.5
227.17912	10.6
229.15860	6.8
229.19504	5.7
230.65160	1.1
231.13678	1.3
231.17409	9.5
233.15329	4.9
235.14584	1.2
235.16772	1.9
237.16107	3.0
239.17894	6.9
241.15729	1.9
241.19473	11.5
243.21100	6.2
247.16701	4.2
249.16301	1.7
251.17725	3.6
253.19476	14.6
255.17325	1.1
255.20824	4.4
259.16696	3.8
261.18250	1.2
263.17831	1.3
265.19296	2.8
267.20883	4.0
269.18774	1.6
269.22552	1.1
273.18250	4.1
275.19983	1.3
277.19272	3.7
281.22055	1.0
283.20108	1.6
285.18262	2.8
287.19785	4.2
293.22125	2.7
295.23810	1.3
299.19818	2.2
301.21402	1.1
303.20880	1.9
305.22397	1.3
307.23904	1.8
311.19861	1.3
313.21219	1.4
317.22275	3.0
327.22913	1.5
331.23584	1.1
335.23386	1.8
339.22720	2.6
353.24460	1.2
363.30460	9.3
373.28934	9.3
374.28931	1.8
375.30353	1.3
391.29840	46.6
392.29831	2.8
407.29138	1.6
409.30969	47.6
410.31064	3.1
419.29300	26.7
420.34470	1.2
437.29959	100.0
438.30524	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	437.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09974	0.1
55.01856	0.2
56.05017	0.4
57.05816	0.7
58.06593	5.9
67.05484	0.3
69.03413	0.3
69.07043	0.4
70.06567	0.7
71.07359	0.6
72.08146	10.0
73.02872	0.2
79.05480	0.2
81.03426	0.7
81.07058	0.2
84.08135	0.4
85.02895	0.4
85.08918	0.3
85.97761	0.2
86.09700	0.3
87.86031	0.2
91.05458	0.2
95.01316	0.3
95.04920	0.3
95.08620	0.2
97.02892	0.3
97.06527	0.2
98.20658	0.3
99.04448	0.2
103.05455	0.2
104.56932	0.1
105.07052	0.2
107.04965	0.3
107.08594	0.3
108.04488	0.3
109.02851	0.3
114.12791	100.0
115.13133	1.2
118.06529	0.2
119.08589	0.2
122.05999	0.2
123.03129	0.4
127.03950	0.3
130.08664	0.2
131.04904	0.3
136.03920	6.4
136.06110	0.2
137.05923	0.3
140.03416	0.6
146.06035	0.3
147.04463	0.2
147.06328	0.3
154.04968	1.6
156.07991	0.3
157.08417	0.3
160.07565	0.3
165.05469	0.2
167.07050	0.3
169.08546	0.2
170.05974	0.3
181.53674	0.2
182.08131	0.2
184.07495	0.2
188.07011	0.8
189.07433	0.8
189.08925	0.2
223.90649	0.2
225.19598	0.7
230.08122	0.9
231.08376	1.4
269.18613	0.8
270.19388	0.3
280.08109	0.8
298.09219	0.6
382.30334	0.1
401.10663	0.2
437.12054	0.6
437.26443	13.0
438.26541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	0.1
54.89566	0.1
55.05481	0.3
56.02832	0.1
58.06590	3.8
67.05492	0.3
69.03413	0.2
69.07058	3.1
69.14670	0.1
69.20844	0.1
70.06586	1.5
71.07350	0.2
71.54321	0.3
71.54677	0.2
72.08143	1.2
76.03699	0.1
79.05482	0.2
80.88952	0.1
81.07050	0.4
84.08125	1.7
85.02897	0.2
85.06535	0.2
85.08913	4.2
86.09694	1.0
91.05460	0.2
95.04950	0.2
95.08606	0.3
97.06524	0.4
100.11247	0.2
105.07016	0.2
107.04932	1.9
107.08569	0.2
109.10164	0.3
110.05943	0.1
114.12788	100.0
115.13146	1.3
120.08066	0.2
123.11675	0.2
133.10114	0.2
136.06117	0.3
167.07086	0.2
193.04947	0.2
203.07101	0.2
225.19632	0.6
243.15883	0.2
258.11353	0.2
269.18744	0.4
270.19312	0.3
279.06424	0.3
326.12619	0.2
353.10229	0.2
378.13348	0.2
419.23099	0.3
437.18240	0.9
437.26523	10.5
438.26877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89410	1.7
56.96553	3.8
58.99843	3.8
61.02919	1.9
67.05502	4.2
69.03418	4.6
71.78570	2.8
77.00902	4.3
79.80267	1.8
81.03387	1.5
82.99876	2.1
84.08160	2.5
85.02895	6.8
85.06524	3.1
93.27657	1.9
95.04961	8.0
97.02848	3.7
98.97570	6.4
101.00854	18.3
113.00860	2.6
116.98599	2.9
119.01904	76.9
120.01990	2.2
120.16841	1.6
127.03908	5.9
129.03897	2.7
130.08621	2.0
131.01892	23.5
131.05516	7.2
132.99783	4.0
133.03445	4.0
137.02933	16.4
141.03938	2.0
141.75516	1.8
142.03419	1.6
143.01881	36.0
143.05502	14.0
144.02116	1.7
145.03421	4.7
145.04904	2.0
146.08202	1.8
149.02933	3.5
149.06615	15.3
151.00865	4.9
155.01857	13.3
157.03435	3.1
159.04945	9.0
161.02942	100.0
161.06554	31.6
161.07886	1.8
162.03058	3.8
163.02667	2.2
163.04486	2.7
163.08134	6.0
167.06982	1.9
171.05034	6.5
173.02911	29.3
173.06555	18.2
175.00812	10.9
177.00777	1.5
177.02345	2.1
177.06081	2.3
179.03998	3.5
184.04597	4.1
185.02945	4.9
185.06566	33.3
186.06757	1.9
187.00847	4.8
187.04498	4.6
187.08162	6.7
189.00774	1.9
189.06059	19.1
191.03990	11.5
191.07625	3.3
193.01936	14.4
197.06544	4.1
199.04546	2.2
201.06107	5.3
203.03990	6.3
203.07576	15.1
205.01968	4.9
205.05588	7.3
205.09038	1.8
207.07123	28.5
212.07713	2.1
213.06036	13.5
215.07626	3.0
217.02048	1.8
217.05586	4.5
218.99828	2.6
219.01776	2.0
221.05112	2.4
227.07632	7.4
231.03514	2.7
231.07118	55.2
232.07314	3.2
234.00392	1.7
237.02786	2.2
239.07764	1.7
243.07149	9.4
245.05019	2.5
245.08824	2.4
249.08177	8.7
257.05084	12.4
261.08133	6.7
263.06174	12.1
267.07367	2.2
273.08151	78.5
274.08356	4.5
275.06119	18.2
285.08179	33.3
291.09192	16.9
293.07181	4.9
303.09274	7.8
307.05099	7.2
307.08359	2.0
314.11075	2.0
317.07138	55.2
318.07480	3.4
329.07138	7.6
333.10278	3.9
347.08157	17.9
348.08356	2.1
377.09354	9.2
393.12335	2.9
437.11603	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	436.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.05489	13.6
57.03420	5.1
57.07046	5.2
65.20999	2.8
66.26349	3.5
67.05484	13.1
69.03403	6.2
69.07050	10.8
70.06566	3.4
70.94621	9.5
71.04990	15.5
79.05477	19.7
81.03387	5.9
81.07041	100.0
83.08602	8.6
83.84301	3.2
85.02882	12.0
85.06515	4.9
91.05463	12.3
93.07022	31.2
95.04924	3.6
95.08582	54.2
97.02876	4.5
97.06519	4.9
97.10143	4.0
98.22078	3.5
105.07024	38.0
107.04964	5.3
107.08578	49.6
109.06496	4.4
109.10136	45.2
110.10484	3.8
111.04454	5.0
111.08050	3.9
113.09573	3.6
117.06964	3.5
117.35657	3.7
118.06550	3.3
119.08570	52.6
121.10117	20.7
123.11674	24.8
125.09592	7.6
127.03928	5.9
127.11166	18.5
131.08572	4.9
133.10098	37.5
135.11673	78.3
137.06003	4.2
137.13246	8.6
143.10654	22.8
145.04951	4.1
145.10132	5.0
146.05965	3.9
147.11682	28.2
149.13199	6.6
151.11124	5.2
157.10104	3.5
159.11665	5.0
161.13245	15.2
163.14778	11.4
167.07043	8.5
168.07356	3.5
175.14778	3.8
177.16405	6.6
181.04878	12.8
182.05260	8.4
188.07080	11.5
203.17934	84.7
203.19809	4.4
204.18274	4.1
205.19492	3.7
221.15511	4.1
221.18970	87.9
230.08125	20.6
234.08353	7.5
239.16412	4.1
239.19899	7.6
340.92905	3.1
365.23413	3.9
383.06519	3.9
418.15640	7.7
436.32578	7.7
437.21674	8.3
455.75418	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	436.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22310	2.1
51.71231	1.8
53.03925	2.7
55.05502	11.5
57.03424	4.2
57.07052	4.7
58.50826	2.1
60.22010	2.1
65.03900	2.6
67.05492	25.6
69.03413	6.2
69.07057	26.0
70.06593	2.3
70.85580	6.6
71.04988	12.8
71.08606	3.1
72.08147	2.7
73.02927	2.3
79.05482	11.5
81.03403	8.0
81.07047	71.5
83.04954	3.9
83.08595	7.3
84.04477	2.1
84.08149	2.1
85.02907	15.3
85.06538	11.6
91.05479	13.3
93.07024	22.8
95.04948	5.7
95.08594	100.0
96.04469	10.7
97.02883	7.2
97.06494	5.5
97.10156	2.5
99.08071	6.4
105.07027	24.4
106.07343	3.4
107.04938	6.1
107.08585	30.3
109.02814	3.8
109.06477	6.3
109.10146	40.8
110.10426	3.3
110.75735	2.1
111.04472	3.0
111.08073	4.5
111.11731	2.8
114.09170	3.3
115.07382	2.3
117.07005	3.9
118.06521	5.6
119.08567	40.0
121.06459	5.8
121.10140	17.9
123.08039	2.5
123.11704	12.1
125.09583	3.2
127.03899	6.4
127.11112	3.7
129.07039	3.1
131.04933	2.1
131.08545	8.0
133.10106	19.1
135.08025	2.2
135.11670	12.2
137.05974	13.5
137.13258	4.1
139.11122	3.0
141.06946	2.3
143.07301	2.6
143.08473	4.4
144.08060	2.7
145.04971	5.1
145.06248	2.5
145.10101	11.2
146.05959	7.1
146.10364	3.2
147.11674	13.8
149.09525	3.4
149.13213	6.8
151.07524	21.8
151.14806	33.3
156.07985	4.7
157.10153	2.2
159.11685	5.2
160.07538	3.7
161.09618	17.4
161.13248	8.8
163.07545	2.2
163.11125	4.4
163.14825	3.4
167.07010	6.8
168.07350	4.5
169.15826	5.4
170.05974	5.6
171.11763	3.7
173.13254	3.1
175.11116	2.5
175.14807	5.2
179.10635	7.0
181.04932	6.4
182.05336	2.7
184.07581	3.5
185.13196	3.6
188.07028	13.8
189.16402	3.5
191.48048	2.4
193.12209	34.4
201.16391	3.8
203.18001	10.9
207.10091	7.9
211.14899	2.6
221.11623	8.3
221.18997	13.8
230.08086	30.8
231.08328	2.7
234.08322	3.0
239.12732	8.3
239.19958	4.5
402.35388	2.2
418.15891	3.0
418.92654	2.2
436.17560	3.7
436.32938	19.8
437.34088	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	436.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01847	0.7
55.05492	1.1
57.07058	0.4
59.04977	1.2
65.03942	0.3
66.70545	0.4
67.05479	1.2
69.03426	1.8
69.07040	1.5
69.68297	2.8
71.04977	10.8
73.06536	2.6
79.05482	2.9
81.03398	1.1
81.07042	14.0
85.02888	4.7
85.06519	0.5
87.00811	1.7
91.05454	1.5
93.07024	9.9
95.08591	2.8
97.02859	1.5
97.06510	0.9
99.04424	0.6
105.01855	2.7
105.07004	0.9
106.02894	0.6
107.04915	0.5
107.08572	7.7
109.02868	1.1
109.10146	1.9
112.81827	0.3
118.06496	0.6
119.08572	0.7
124.03948	3.4
127.03888	4.2
130.06476	0.4
132.08063	0.5
133.10077	0.5
135.11668	16.8
143.07239	0.4
145.04959	1.2
146.05977	0.8
151.03842	0.7
153.12718	100.0
154.13063	2.6
156.08084	0.6
159.02818	0.5
161.09521	0.4
167.06952	0.4
169.04941	2.4
181.04951	0.7
184.07512	0.4
188.06972	1.6
207.10085	0.6
228.61282	0.3
230.08156	2.7
231.04881	0.6
239.16325	0.5
249.06064	1.1
250.02194	0.3
268.08136	3.4
274.12790	0.6
313.42142	0.3
436.12347	1.1
436.32220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
52.03167	0.2
53.03932	0.7
55.01862	0.5
57.03413	0.2
58.06583	0.4
65.03933	2.7
66.74915	0.2
67.05505	1.2
69.03423	1.6
70.06573	0.6
71.01337	0.2
71.04994	0.2
71.79214	0.3
72.08144	0.3
73.02923	0.2
77.03922	0.2
78.03452	2.8
79.05473	0.2
80.05005	0.6
81.03413	3.4
81.07025	0.2
81.39216	0.2
85.02890	1.7
86.09717	0.4
93.03387	1.0
95.04955	1.0
95.08601	0.2
96.04472	0.9
97.02898	1.1
99.04455	0.7
106.02906	11.5
108.02091	1.2
109.02869	2.4
110.03664	0.4
111.04430	3.4
112.01551	0.2
114.10198	0.2
118.06524	0.8
121.06597	0.2
123.04424	0.4
124.03941	20.8
125.04253	0.2
125.05986	1.4
127.03897	1.5
129.07001	0.2
130.08655	0.2
131.12910	0.4
135.04442	0.2
136.01535	0.5
136.03931	0.5
137.05925	0.2
138.05409	0.2
141.05447	2.8
144.08055	0.4
146.05998	1.6
151.03894	100.0
151.04927	5.3
152.04236	2.0
156.08037	0.4
160.07539	0.4
166.05000	0.4
168.08044	0.2
169.04985	0.7
170.05959	0.4
177.05479	0.2
184.07547	0.3
188.07057	2.3
206.40941	0.2
212.07080	0.3
229.08867	0.2
230.08084	1.8
232.06076	0.3
235.05922	0.2
239.12927	0.2
250.07082	5.6
251.07275	0.3
268.08136	7.7
269.08463	0.3
308.94775	0.2
336.40369	0.2
371.63602	0.2
400.10281	1.7
418.11325	3.7
419.11380	0.2
436.12326	5.0
436.21326	0.2
436.27252	0.2
437.10889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
57.07065	3.1
59.28810	0.6
67.05479	2.7
69.07053	4.7
69.44731	1.7
69.45156	5.9
71.08629	3.5
79.05484	4.9
81.07043	5.7
83.08595	1.4
89.06011	7.9
91.05466	5.6
93.07041	6.1
95.08588	8.1
97.10143	0.7
98.27011	0.6
105.07016	11.1
107.08575	8.7
109.06527	1.0
109.10133	3.6
113.61974	0.6
117.07008	5.1
119.08567	16.6
120.08895	0.6
121.10105	3.4
129.06952	2.0
130.07733	2.3
130.10364	0.6
131.08543	12.6
131.09448	1.1
132.09212	0.6
133.08582	2.8
133.10112	12.2
135.11682	1.7
143.08553	3.8
144.09258	1.7
145.10107	25.7
146.10844	0.7
147.11642	3.8
149.13290	0.7
156.09340	0.7
157.10141	4.0
158.10870	2.4
159.11665	13.9
161.13231	9.9
170.10878	1.0
171.11688	3.9
172.12457	3.5
173.13232	5.3
175.14804	12.3
176.15125	0.7
177.11217	0.8
179.15489	0.6
185.13225	2.6
187.14795	100.0
188.15050	3.1
189.16286	1.8
199.14818	2.5
201.16350	13.6
202.16692	0.7
203.18005	1.4
211.14848	0.8
211.53458	0.6
213.16476	1.5
215.17892	3.9
227.17886	0.8
239.14862	0.8
379.26016	0.7
389.31961	1.3
399.53241	0.8
406.21179	1.3
420.22546	0.9
435.24857	5.5
435.32455	27.6
436.32751	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	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05505	4.4
55.32272	0.4
57.07035	1.7
67.05489	7.1
68.85651	0.4
69.07060	6.6
71.08592	0.5
79.05061	0.6
79.05475	6.7
81.06611	0.9
81.07044	12.6
83.08608	4.0
91.05463	8.8
93.07034	13.3
95.04968	1.2
95.08593	25.0
97.10120	0.7
103.05432	0.5
105.07018	21.5
107.04937	0.5
107.08578	22.0
109.06478	1.4
109.10137	12.2
112.15832	0.5
115.05421	1.1
117.06997	7.0
119.08562	31.0
120.08882	0.6
121.06516	0.7
121.10120	13.3
123.11672	5.2
125.05938	0.8
128.06165	1.0
129.06975	3.6
130.07751	1.3
131.08549	18.5
133.10109	25.3
135.11673	6.6
137.13177	0.8
141.06970	0.7
142.07748	1.9
143.08546	7.7
144.09293	2.4
145.10101	36.3
146.10550	0.8
147.10547	0.8
147.11658	12.1
149.05942	0.7
149.13213	3.2
153.09087	0.7
155.08519	1.9
156.09288	1.5
157.10097	10.9
158.10918	3.6
159.11674	29.5
160.12129	1.0
161.09573	0.5
161.13240	12.0
163.14815	3.0
169.10086	3.4
170.10916	1.1
171.11678	10.6
172.12463	2.7
173.11667	0.6
173.13234	16.9
175.14799	28.2
176.15141	0.5
177.12762	0.7
177.16351	4.0
181.10068	1.0
183.11620	3.1
184.12450	1.5
185.13216	6.8
186.13965	1.5
187.14793	67.7
188.15155	2.3
189.16359	10.0
191.17850	0.7
193.12329	0.6
193.15863	1.9
195.11742	1.5
197.13220	3.6
198.14081	0.7
199.14771	9.7
201.16354	59.9
202.16672	2.3
203.14314	0.7
203.17929	4.8
205.12148	2.5
205.15929	0.5
207.11760	1.1
207.13715	0.5
209.13297	1.2
211.14799	2.6
212.15572	0.5
213.16359	10.3
214.16798	0.6
215.17923	11.8
217.15816	0.7
219.13808	1.3
219.17451	0.5
221.13235	0.7
221.15271	1.1
223.14859	1.1
225.16345	2.2
227.17899	4.6
229.19434	2.3
231.17418	1.1
233.15306	1.1
235.14781	1.3
237.16400	1.3
239.14151	0.5
239.17851	1.8
241.19434	3.2
243.21228	0.6
245.15128	1.0
247.16933	1.0
251.18030	1.0
253.19579	1.4
255.21024	1.0
257.15390	1.2
259.16989	2.1
265.19595	1.3
267.21027	1.1
271.16861	0.6
273.18640	0.6
277.19464	0.7
279.21027	1.2
281.22742	1.9
285.18506	0.7
293.22626	1.1
295.24368	0.6
297.18533	0.9
299.19931	0.8
305.22818	0.7
307.24164	0.8
311.19727	0.5
313.21613	0.5
319.23911	0.9
327.23117	1.2
333.25769	1.5
341.24814	1.7
343.22641	0.5
347.27338	0.9
351.23044	0.6
353.24756	0.9
365.24649	1.6
379.26331	1.0
389.27594	1.1
389.32071	10.0
407.33151	1.0
417.27109	1.1
417.31747	1.6
419.10123	0.6
435.32626	100.0
436.33002	5.4
440.48849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03930	2.0
55.05503	12.2
57.07049	4.7
67.05499	20.9
69.07056	15.6
71.01482	4.0
79.05476	15.6
81.07046	24.9
83.08603	7.2
91.05457	17.4
93.06486	2.1
93.07030	24.1
95.04962	8.8
95.08592	39.3
97.10155	4.1
105.07014	43.8
107.04941	3.3
107.08573	31.9
109.06493	2.2
109.10146	21.8
115.05433	1.7
117.07001	12.6
119.08555	50.7
121.06482	2.8
121.10130	28.0
123.08084	1.5
123.11667	7.8
125.09557	1.9
128.06232	3.5
129.06975	6.9
130.07771	4.1
131.08546	44.1
131.29208	1.7
133.06499	1.6
133.10114	46.2
133.11118	2.6
134.10400	1.5
135.08011	2.4
135.11674	15.8
137.09631	1.3
137.13258	1.4
141.06990	2.9
142.07770	5.9
143.08560	17.9
144.09326	7.6
145.10103	74.1
146.10541	1.4
147.11656	25.1
149.09531	1.8
149.13278	6.5
153.09032	1.2
155.08537	6.5
156.09348	1.6
157.10107	31.3
158.10870	6.2
159.11670	92.2
160.12210	1.9
161.09598	1.6
161.13237	23.0
163.11121	2.7
163.14822	6.1
169.10127	10.4
170.10896	3.3
171.11662	23.6
172.12418	4.6
173.13234	66.0
174.13582	2.0
175.14793	32.3
177.16362	9.9
180.03305	1.2
181.10155	2.7
183.11621	6.4
184.12460	3.2
185.13210	15.3
186.13924	1.8
187.14783	53.0
188.15237	1.8
189.16347	15.2
189.17978	1.5
191.14203	1.4
191.17885	3.6
191.29562	1.3
193.15875	4.0
195.11684	3.7
197.13240	9.3
198.13997	1.7
199.14795	25.6
201.16350	100.0
202.16699	4.4
203.17940	10.6
205.12218	2.2
207.11626	2.5
209.13228	4.4
211.14861	4.6
213.16350	20.5
215.17931	19.8
221.13210	3.9
221.15282	1.8
223.14838	4.0
225.16312	5.8
227.17926	6.3
229.19531	3.6
231.13817	1.1
233.15318	3.1
235.14909	1.4
237.16275	3.4
239.17975	2.3
241.19528	3.3
245.15535	1.5
247.16943	2.3
249.16443	2.0
251.18100	2.3
253.19510	2.5
259.16931	1.8
263.17920	1.4
265.19516	3.3
267.21085	3.8
277.19510	2.5
279.21109	1.5
281.22684	2.5
285.18619	1.3
291.21072	5.4
293.22592	3.4
305.22696	1.7
319.24188	3.0
323.19916	1.5
325.21591	1.5
333.25681	3.1
337.21429	2.6
339.23590	1.7
341.24826	1.7
343.22534	6.5
344.23230	1.5
347.27316	11.6
353.24408	1.4
361.23987	1.8
361.28818	1.7
365.24573	2.5
379.26102	7.2
389.31973	19.4
393.27814	34.6
393.32877	1.9
394.28131	2.2
407.29208	2.3
417.26352	4.8
417.31479	2.8
435.27441	8.2
435.32556	97.2
436.27731	1.8
436.32950	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3251
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03924	1.6
55.05500	9.7
57.07067	7.0
61.22118	1.2
65.03951	2.5
67.05495	19.7
68.56960	1.4
69.07063	8.6
71.08631	1.7
71.18645	4.1
79.05495	7.9
81.07048	19.8
83.08620	6.9
90.80544	1.4
91.05470	15.4
93.07018	21.8
95.04956	2.9
95.08590	97.1
96.08907	1.4
96.26163	1.3
97.10178	1.5
100.48676	1.4
105.07008	30.6
107.08572	41.2
109.06491	1.6
109.10139	21.2
115.05482	1.8
115.36347	1.3
117.07000	13.1
119.08566	44.3
121.10123	19.7
123.11724	4.8
128.06195	2.1
129.07025	4.4
130.07780	3.1
131.08556	33.9
133.10097	38.3
135.08025	1.4
135.11668	8.8
136.92247	1.5
141.06935	1.8
142.07755	2.5
143.08534	8.3
144.09340	4.2
145.10095	77.3
146.10826	2.4
147.11652	17.3
149.02350	1.8
149.05910	1.6
149.13261	4.6
155.08565	3.6
156.09305	2.6
157.10080	13.0
158.10916	2.8
159.11671	42.7
159.12936	2.8
160.12000	1.6
161.13226	12.0
162.03175	3.2
163.07486	2.0
163.14862	4.5
169.10104	3.0
170.10927	2.7
171.11687	9.4
173.13232	22.3
173.14586	2.0
175.11147	1.4
175.14812	27.2
177.16379	4.3
183.11658	3.0
184.04448	2.0
185.13220	12.0
187.14793	52.4
188.15179	2.1
189.16370	9.5
193.16034	1.7
195.11732	2.9
197.13246	4.1
199.14812	10.7
201.16344	71.2
202.16710	3.1
203.18028	6.5
211.14937	2.8
213.16354	11.4
215.17943	10.6
219.13794	2.9
221.15321	1.9
223.14830	2.7
225.16399	3.7
227.18031	5.5
233.15408	2.6
237.16463	2.4
239.18005	2.8
241.19615	3.3
245.15398	2.3
247.17111	2.3
253.19771	2.2
256.26437	3.0
259.17145	2.4
265.19458	1.9
281.22641	3.3
285.18405	1.6
292.58643	1.6
295.24243	3.5
320.67877	1.8
325.21664	1.7
327.23148	2.9
341.24643	9.4
347.27267	1.7
353.24646	1.6
365.24518	1.9
379.26328	1.9
389.31982	11.2
393.28168	2.5
417.31668	2.8
435.32675	100.0
435.80127	5.0
436.33096	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	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03923	1.8
53.06483	0.9
55.05497	6.8
57.07053	1.6
57.25179	0.8
65.03892	1.0
67.05495	14.9
69.07057	10.3
76.21918	0.9
79.05481	11.7
81.03407	1.8
81.07042	22.4
83.04959	1.8
83.08596	7.4
84.08150	1.5
91.05457	15.5
93.07032	21.1
95.04946	4.8
95.08595	29.9
96.08080	1.0
97.10155	2.0
103.05476	1.4
105.06322	1.6
105.07017	29.9
107.04922	1.3
107.08570	29.7
109.06527	2.1
109.10136	15.3
111.04417	1.1
111.08070	1.7
114.09133	3.6
115.05425	1.8
117.07022	7.2
119.08559	59.8
120.08907	1.3
121.06483	2.7
121.10120	20.4
123.08035	2.4
123.11708	6.9
125.06008	1.2
125.09583	1.4
128.06230	1.9
129.06982	4.7
130.07771	1.4
130.08633	3.9
131.08548	17.4
133.10106	32.2
135.07982	1.3
135.11668	10.5
137.13234	2.0
142.07739	1.5
143.08527	9.6
144.09329	2.6
145.10100	46.2
146.10774	1.3
147.08035	1.1
147.11668	22.7
149.09651	2.4
149.13251	4.3
151.07484	1.5
151.14825	1.5
153.09135	1.5
155.08513	2.3
156.09241	2.8
157.10080	13.3
158.10893	2.9
159.10356	2.4
159.11673	49.9
160.09705	3.3
160.12276	1.5
161.13237	14.6
163.07568	2.3
163.11166	1.3
163.14772	6.9
169.10110	3.3
170.10889	2.3
171.11674	16.8
172.12372	1.4
173.13242	17.9
175.14789	19.4
176.15126	0.9
177.16333	7.7
179.10545	1.0
181.10114	1.5
183.11652	7.0
184.12521	1.1
185.13206	19.6
186.13936	1.8
187.11221	1.5
187.14790	41.3
188.15134	1.4
189.16357	45.6
190.16652	1.6
191.10773	1.2
191.17984	2.3
195.11737	1.6
197.11632	1.1
197.13152	6.2
199.14821	14.3
201.16348	58.6
202.16750	1.9
203.17914	9.6
205.15848	4.4
209.13222	2.3
209.15318	1.3
211.14842	4.8
213.16345	23.7
215.10681	1.6
215.14316	1.6
215.17952	9.5
217.19640	2.3
219.13786	1.7
221.15382	2.4
223.14865	2.5
225.16400	4.0
227.17879	8.9
229.15945	1.8
229.19489	3.2
231.13881	1.1
233.15329	2.3
235.14618	1.3
237.16380	2.3
239.17879	3.2
241.19469	4.5
245.15369	3.5
247.16858	7.0
251.17955	2.0
253.19554	3.9
255.21043	1.8
264.18372	1.1
265.19629	1.3
267.21106	2.9
271.16934	1.8
279.21085	1.3
283.24249	1.3
299.19836	1.2
306.19720	1.0
311.20172	1.1
313.21500	1.1
325.21692	1.3
333.25851	1.4
343.22598	4.4
365.24698	1.7
379.26224	1.5
389.32083	13.6
390.32294	1.1
393.27914	1.1
407.33096	4.7
417.26526	2.6
417.31619	2.4
435.27716	7.2
435.32602	100.0
436.33218	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	435.1647
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03944	1.8
55.01865	2.2
57.03424	0.9
60.07744	1.0
62.92200	0.7
65.03928	7.3
67.05499	3.2
69.03413	3.5
70.06593	1.7
71.04971	1.1
72.08139	1.6
75.46635	0.8
79.05477	7.3
81.03416	5.1
81.07052	2.2
82.04208	2.1
84.04501	1.3
85.02892	8.2
91.05447	4.5
93.03393	2.1
93.07054	1.1
95.04461	0.8
95.04949	5.0
97.02892	2.1
97.06532	2.9
103.05433	1.4
105.07028	1.8
106.07407	0.8
107.04939	17.2
107.08560	1.1
108.02109	1.0
109.02898	1.9
109.06498	0.9
110.03655	2.0
111.04448	1.3
114.09177	1.6
115.05431	4.6
116.06255	1.2
117.06989	4.5
117.72829	0.8
118.06551	5.8
118.67820	1.0
119.04937	1.0
119.08597	1.0
121.02864	2.7
121.06516	1.6
122.06029	1.1
123.04414	4.0
124.03938	2.1
124.05213	3.2
124.08470	0.9
125.05981	3.6
127.03925	4.2
129.07010	2.1
129.62378	0.8
130.06523	1.6
131.04930	2.7
131.08589	2.7
131.12889	2.0
133.06488	2.3
136.03918	1.8
137.05974	4.7
138.03065	2.2
139.03940	1.9
141.06975	1.4
142.02600	1.9
143.04883	1.4
143.07335	1.1
144.05681	2.9
144.08015	1.0
145.06482	8.4
146.05978	9.5
146.06998	1.1
147.04414	3.7
147.08035	1.2
149.05988	1.6
151.03909	2.7
151.07553	1.2
152.04639	1.9
153.05469	2.6
155.04874	1.8
155.07042	1.0
156.08118	2.5
157.06508	3.0
159.08069	2.7
160.07516	1.7
161.05962	5.3
163.03914	1.2
165.01860	4.0
167.07024	44.0
170.06046	3.1
171.06522	5.9
172.05199	6.9
173.05948	7.1
175.03876	1.6
175.07545	2.0
177.01830	1.2
177.05318	1.0
177.09114	1.2
181.04938	100.0
182.05325	1.6
183.02884	2.1
183.06644	2.5
184.07603	2.1
187.07489	9.3
188.07019	13.6
189.01851	1.0
189.05487	3.3
190.06320	1.9
191.03371	1.8
191.07050	2.0
191.10788	1.3
195.02847	11.5
195.06532	1.8
200.04660	3.1
201.05455	6.3
203.06932	1.2
205.08641	4.4
206.05763	2.6
207.06491	1.6
208.06897	1.1
217.08652	2.6
218.05649	4.6
219.02914	4.5
219.08217	1.6
219.10095	6.9
221.08014	5.3
230.08102	12.4
231.02779	2.8
231.06537	1.4
233.08060	49.2
234.08490	1.7
235.07544	1.6
235.09669	3.2
245.08119	1.6
249.03903	1.2
251.09201	3.9
261.03979	2.0
263.06787	1.6
263.09167	11.7
268.94769	1.0
279.10095	1.8
280.07422	1.0
285.07584	4.4
297.07339	2.4
307.09622	1.0
311.12625	1.2
315.08710	1.7
323.09048	1.3
335.09042	2.1
337.10562	1.1
339.08624	3.8
339.12296	1.8
351.08630	2.6
355.11847	3.1
356.12656	1.0
357.13254	1.4
367.11618	3.2
371.14929	1.8
381.09155	1.4
381.13422	2.0
387.14307	11.1
399.09955	1.3
399.14877	4.8
405.15558	1.2
417.15454	25.6
418.15686	1.8
435.16879	1.7
435.22049	2.2
438.02081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0919
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03931	0.4
55.01868	0.4
57.03418	0.8
61.02922	1.8
61.38929	0.2
61.69212	0.2
63.81898	0.2
68.99796	0.4
69.03416	0.7
70.06589	0.3
70.25643	0.5
70.26062	0.9
71.01334	0.5
71.04980	0.4
73.02910	14.6
79.05484	0.5
81.03403	0.3
81.07061	0.3
85.02888	0.9
86.09689	0.3
87.89558	0.2
91.05480	0.3
93.07055	0.4
93.21671	0.2
95.08563	0.4
96.07310	0.2
97.37618	0.3
105.07018	0.4
107.04956	1.1
109.02865	0.6
109.10102	0.4
111.00764	0.9
111.04431	0.3
114.09149	0.3
115.03900	1.0
121.02856	1.2
121.06533	0.3
123.04412	0.4
124.03918	0.3
129.06966	0.4
131.04904	0.4
133.10117	1.2
137.02341	2.8
137.03337	0.4
137.05980	1.2
143.10654	0.4
147.11792	0.3
149.02316	0.4
153.01787	3.3
157.06458	0.3
161.05922	0.5
163.03873	0.6
163.07561	0.2
165.01801	1.8
166.02472	0.3
167.07005	2.9
173.06044	0.4
177.05357	0.3
178.08690	0.3
179.08987	0.3
181.04921	1.6
181.08597	0.3
183.02864	1.0
183.04378	0.5
189.05516	0.3
189.09122	0.4
195.02898	0.3
201.05411	1.5
201.16478	0.3
205.04877	0.3
209.07916	0.4
229.04950	4.2
229.41745	0.3
233.07991	0.6
237.18657	0.3
247.05948	0.8
254.17560	0.3
255.17754	0.3
257.04443	2.5
268.07394	0.3
272.18576	0.6
273.18900	0.5
274.04755	0.7
285.03922	1.5
303.04959	100.0
304.05289	2.7
331.10764	0.3
360.15872	0.4
417.15323	0.8
435.15393	0.4
435.21939	0.4
439.74719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1643
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
52.79386	0.6
53.03920	1.6
55.01858	1.9
55.05500	4.5
65.03926	6.1
67.05494	4.7
69.03410	6.5
69.07047	2.7
69.84571	0.8
71.04955	1.2
71.08724	1.6
72.08141	1.1
78.04710	0.8
79.05483	8.3
81.03404	5.0
81.07037	4.6
82.04173	2.8
82.06575	1.1
83.04986	1.8
83.08598	1.9
84.04498	0.8
85.02895	8.3
85.06534	1.5
91.05473	5.8
93.03423	1.7
93.07002	4.5
94.07377	0.8
95.04972	3.9
95.08576	3.1
97.02860	2.0
97.06509	2.5
99.04419	1.5
100.07607	1.5
100.11227	6.6
103.05456	1.8
105.06997	4.5
106.04147	1.0
107.04940	17.3
107.08567	5.1
108.02103	1.9
109.02828	1.9
109.06505	1.3
109.10130	3.2
110.03642	3.1
111.04420	3.5
115.05418	3.4
116.06228	0.9
117.07000	4.6
117.24057	0.8
119.04926	1.9
119.08571	3.7
121.02835	1.0
121.06487	2.5
121.10126	3.4
123.04408	2.2
123.11678	1.2
124.05183	2.4
125.05955	4.5
127.03907	6.3
128.06181	1.3
128.07065	1.5
129.06973	3.3
131.04971	1.2
131.08519	4.3
133.06462	2.2
133.10086	1.7
135.08058	1.0
135.11665	2.2
137.05952	3.5
138.03125	1.7
141.06929	2.6
142.02646	2.0
143.08429	1.1
144.04631	0.8
144.05605	3.9
145.04945	0.8
145.05373	0.9
145.06477	9.3
145.10091	2.4
147.04378	3.4
147.08011	2.1
147.11697	0.9
149.05923	1.5
149.09669	0.9
149.13260	2.1
150.13573	1.1
151.03880	0.9
151.07487	0.9
152.04662	1.8
153.01804	3.6
153.05449	1.9
153.12717	3.1
155.04880	1.2
155.07028	1.8
157.06427	2.8
157.10083	1.9
159.08014	4.3
161.05960	4.5
161.13280	1.2
163.03847	1.2
165.01819	1.8
165.05461	0.9
167.07018	49.9
168.07336	1.8
171.06488	7.4
171.11649	1.0
172.05223	6.3
173.05956	5.5
173.13174	1.0
175.07527	1.6
176.08249	1.0
177.05423	2.2
177.09103	1.6
177.79582	0.9
179.06995	1.2
181.04930	100.0
182.05312	1.7
182.15414	4.5
182.16704	0.8
184.05348	0.9
184.07260	0.9
185.05936	1.0
187.07494	9.0
187.14685	0.9
189.05440	2.8
189.09012	1.1
190.06303	1.1
191.06915	2.0
191.10684	2.9
195.02858	1.5
195.06509	1.8
200.04610	2.4
201.05443	6.5
201.16386	1.4
202.06203	1.1
203.06958	1.4
205.08542	4.1
206.05725	3.0
207.06554	1.3
207.10046	0.9
209.08060	1.4
209.16460	1.9
210.14882	4.6
217.04761	0.9
217.08571	1.2
218.05661	5.8
219.06384	1.9
219.10066	6.9
219.17421	1.9
220.17807	3.5
221.08008	6.6
227.17567	1.2
230.08063	2.3
233.08051	50.9
234.08499	1.3
235.09669	2.4
245.08026	2.5
247.07529	1.0
251.09033	4.4
263.06812	1.6
263.09198	12.0
273.07501	4.4
277.08521	1.3
279.06409	1.0
295.09650	1.3
307.09598	1.2
311.12488	1.2
323.09088	2.0
326.28214	1.1
331.74542	1.9
335.08923	1.5
337.21738	0.9
339.12265	1.3
341.25421	0.9
344.12268	1.0
354.26285	1.4
355.11691	2.6
356.12155	1.0
367.11758	3.4
371.14679	1.7
372.11792	1.5
381.13318	2.2
387.14346	11.1
388.14374	1.1
399.14413	7.4
405.15356	1.1
417.15466	28.7
417.29089	2.3
417.79370	1.0
426.29636	1.4
435.11990	3.2
435.17542	2.6
435.24234	0.8
435.32498	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	435.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89727	2.0
55.01844	3.7
55.05495	3.8
56.96289	3.4
56.96554	41.2
57.03414	5.1
58.99850	11.5
59.43144	2.2
61.02905	8.3
69.03423	22.2
69.93487	7.3
69.93904	5.6
70.06580	18.7
70.98101	3.5
70.99825	3.0
71.04981	4.1
72.08133	3.8
73.02913	13.0
74.15757	2.1
77.00898	12.1
79.05460	2.6
81.03399	7.9
81.04516	5.1
82.99834	2.2
83.06087	3.2
84.08129	9.4
84.96021	6.0
85.02892	47.6
86.03207	3.9
86.06046	6.5
86.09705	4.8
87.04452	9.4
88.02634	2.1
88.99150	4.7
89.00871	2.2
91.02441	18.2
91.03944	2.6
91.05447	3.3
92.04987	2.5
94.06558	2.5
95.01920	5.8
95.04944	2.5
95.06075	5.5
96.08081	2.4
96.39727	2.0
97.02885	21.4
98.97560	34.9
99.04442	6.1
99.28945	2.1
101.00864	23.6
103.02427	3.3
105.00345	3.7
109.02830	4.9
109.03479	15.6
110.06017	16.6
110.07174	4.4
110.97546	5.5
111.05536	10.3
111.06298	4.8
112.07558	4.2
112.08710	5.8
114.09146	11.8
114.10298	5.1
115.02409	11.2
115.03925	2.2
116.98627	27.0
119.01903	100.0
119.04932	2.8
120.01958	3.7
121.01664	4.4
121.03476	3.8
121.06499	2.9
123.05556	4.5
124.08723	3.6
125.07050	2.4
127.02430	2.4
127.03908	18.2
128.04156	3.0
128.07059	4.5
128.98579	12.1
129.03955	4.2
130.04051	2.3
130.08633	68.7
130.09665	6.2
130.93286	14.4
131.00179	3.6
131.01874	28.1
131.08955	2.9
132.10225	2.2
133.03442	38.0
134.99619	16.3
135.04372	2.6
137.02942	25.1
137.05962	8.8
138.05498	3.1
141.06586	9.3
143.00159	2.7
143.01862	20.7
144.10199	2.5
144.99835	18.2
145.01659	3.8
145.03464	18.6
145.04895	10.2
146.08101	19.2
146.99626	18.8
147.01372	6.2
147.03241	3.9
147.05121	6.0
148.94319	8.3
149.01169	5.0
149.02937	87.7
150.03043	4.6
151.04506	9.6
151.07515	2.7
152.05672	4.8
153.00681	3.3
153.03951	3.5
155.01860	12.4
155.04558	2.6
156.99846	5.2
157.03447	8.1
158.01118	2.5
158.99611	7.4
159.01405	3.2
159.04977	5.1
160.09669	9.2
160.10864	2.3
161.01234	6.6
161.02942	37.8
161.04321	4.1
162.03200	2.1
163.00844	3.7
163.04582	32.0
164.02312	2.6
164.05151	2.5
165.00743	9.9
167.03979	24.2
167.07047	3.6
168.99818	5.2
169.03464	3.1
170.99669	4.4
171.01390	16.0
171.04988	6.4
172.04568	3.0
172.09647	2.2
172.94324	17.5
172.97607	5.4
172.99286	13.3
173.01373	4.1
173.02893	25.1
173.06532	3.9
174.95950	3.7
174.97612	3.8
175.00856	57.0
175.02504	3.4
175.04364	10.2
176.00952	6.1
177.00696	13.2
177.02422	16.4
177.03983	3.1
177.05988	7.0
179.02068	2.3
181.05533	6.3
183.01601	4.0
183.04951	2.4
185.02943	14.7
185.06644	2.3
186.04364	7.8
186.99216	5.3
187.00876	13.7
187.02518	2.7
187.04562	6.0
189.00714	6.4
189.02403	60.5
189.06052	5.0
190.02565	4.0
190.95401	33.7
190.98611	10.9
191.00313	13.6
191.02251	9.0
191.03937	19.2
192.98753	3.6
193.01915	20.0
195.01784	3.5
195.03493	2.7
196.99425	4.3
197.01254	3.2
197.02995	4.6
198.97520	2.7
199.00934	5.2
199.04401	3.2
201.00696	5.2
201.02402	10.1
201.06075	3.4
203.00330	7.1
203.02254	4.1
203.03888	11.3
204.05484	10.8
204.96945	5.8
205.00195	7.3
205.01892	8.6
205.03775	4.7
205.05583	3.6
207.03462	21.0
208.96434	15.2
208.99637	3.1
209.03201	4.3
213.02403	8.4
214.95389	7.7
215.00319	20.6
215.02161	2.6
215.04025	5.1
216.05515	3.1
216.96858	5.2
216.98566	4.2
217.01845	17.8
217.05580	4.6
218.98273	3.3
219.01797	14.9
219.03568	16.4
221.01436	3.1
221.04944	15.4
222.98123	3.2
223.01161	6.6
223.04816	3.2
224.07961	2.4
225.12276	9.6
227.00320	24.1
227.06752	7.7
228.03722	4.4
229.01950	9.9
229.05614	4.6
230.08665	3.2
231.03476	19.9
231.08908	2.6
232.96436	22.5
232.99365	4.3
233.01530	14.9
234.99680	5.3
235.03046	4.3
236.07129	12.4
236.55376	4.3
237.02579	19.2
239.00291	13.9
241.01843	4.1
242.05112	3.0
242.08916	2.6
242.11760	2.5
244.96399	5.1
245.01401	60.5
245.05206	13.0
246.01523	4.9
246.57315	2.9
247.03059	12.7
247.06917	5.7
248.99257	3.5
249.04427	3.6
250.97481	14.0
251.00346	4.6
251.02551	3.9
254.99730	14.1
255.06909	2.9
255.13356	33.4
257.01318	12.8
259.02914	31.6
259.06882	4.0
261.04590	9.7
261.08258	3.6
263.06262	3.1
264.07523	6.6
264.98514	4.5
265.04175	4.2
266.99771	18.3
268.03003	3.5
271.06680	3.6
272.19595	7.5
272.95984	6.1
273.00845	64.8
273.03845	3.5
273.08109	4.1
273.11502	5.3
273.14410	12.5
273.20044	4.0
275.02579	12.8
277.04251	19.5
277.06927	3.4
279.06189	3.5
279.09360	10.5
282.99338	14.0
285.00797	12.1
287.02460	28.6
288.95453	3.3
289.03870	4.1
290.96979	7.2
292.13803	4.0
296.02612	3.4
299.02386	8.1
300.95355	4.8
301.00378	17.5
301.03799	4.8
302.96982	5.5
305.03577	48.2
305.06979	4.2
307.05161	3.0
309.08481	4.4
310.99014	2.9
314.10919	3.1
314.98746	6.0
315.01941	34.2
317.09744	2.9
318.96356	10.9
319.01465	4.0
319.04956	27.7
323.58728	2.6
328.05209	2.5
328.99603	2.7
329.03363	4.9
330.08420	9.9
331.08841	2.7
332.11963	5.0
333.02957	32.0
334.02927	3.1
335.12180	4.4
337.06299	12.6
342.96402	12.8
343.01410	47.6
344.98074	6.8
345.02936	2.6
347.04645	48.9
356.04691	3.0
356.99716	4.4
359.04919	2.8
360.97537	22.2
361.02475	68.8
362.02618	2.7
362.99127	5.0
365.05612	37.0
373.02383	3.2
375.04529	30.0
375.11017	11.4
384.03876	7.5
388.07147	6.1
393.04626	7.8
403.03668	10.8
417.18710	7.1
434.24780	5.1
435.07291	49.8
435.12317	3.3
435.20352	45.8
435.25241	6.4
436.07816	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	434.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02145	1.1
53.03934	1.6
55.01858	1.8
55.05481	3.6
57.03426	3.1
59.05539	1.3
61.02918	2.0
65.03909	1.4
67.05487	4.0
69.03407	3.6
69.07056	4.0
70.06573	1.9
71.04979	5.0
71.08675	3.3
73.15408	1.1
74.64697	1.0
79.05469	4.9
81.03400	4.3
81.07037	7.1
81.94590	1.4
83.04942	1.4
83.08603	2.8
84.04484	5.3
85.02893	7.6
85.06531	34.8
91.05465	5.8
93.07022	8.0
95.04978	3.0
95.08582	11.5
97.02862	2.5
97.06516	2.2
103.05499	1.3
105.07021	19.6
107.04920	5.3
107.08578	13.6
109.02867	6.1
109.06491	1.9
109.10127	4.9
111.08064	3.8
113.09650	2.5
115.05303	1.1
117.06989	2.4
119.08575	17.5
120.08054	1.3
120.08940	1.2
121.02834	1.6
121.06457	2.1
121.10133	12.3
123.11699	2.8
125.05968	1.9
125.09612	5.3
126.05430	1.3
127.03899	3.7
131.04944	1.4
131.08553	5.9
133.10098	9.0
135.11685	5.8
137.02472	1.1
137.05945	5.4
137.09567	1.3
139.03882	1.4
144.08084	2.2
144.09213	1.5
145.06454	1.6
145.10083	8.3
147.11752	1.4
149.09628	1.7
149.13231	5.7
153.01773	1.6
157.10097	2.1
159.11671	57.6
160.12010	1.3
161.05957	1.7
161.13228	37.8
163.03838	1.4
163.11160	2.0
167.07040	17.7
172.05072	1.8
173.13240	3.8
175.14783	7.3
177.12756	3.6
177.16344	7.2
178.08621	1.7
179.14279	4.6
181.04945	13.6
186.14165	1.5
191.14322	2.3
191.18086	1.3
193.12253	1.3
195.02586	1.4
201.05533	2.2
201.16356	45.0
202.16689	1.4
203.31750	1.0
218.05765	1.6
219.13943	2.8
219.17403	74.1
220.17693	2.1
233.07878	5.9
237.14743	2.8
237.18446	100.0
238.18753	3.2
255.15816	2.5
255.19482	10.6
263.09036	2.3
288.05978	2.7
293.43188	1.1
416.16171	2.3
417.15753	5.6
434.12268	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.3
55.05487	12.5
57.07056	4.3
59.04959	4.3
67.05496	23.0
69.03412	5.7
69.07042	21.2
69.49578	4.2
70.92165	8.7
70.92535	7.8
71.04977	31.7
73.68262	3.8
79.05476	20.1
81.06597	6.3
81.07043	59.8
83.08598	5.6
84.04499	7.4
85.02869	11.5
91.05460	19.5
93.06496	6.5
93.07030	64.3
95.04944	5.6
95.08582	45.9
97.06489	7.2
99.08054	5.7
105.07005	51.9
107.04954	5.2
107.07903	6.8
107.08578	100.0
108.52464	3.7
109.02836	6.6
109.10142	30.9
111.08029	4.9
117.07032	7.8
119.08562	48.0
121.10119	45.4
123.11670	5.9
125.09595	10.3
127.03905	7.5
127.11163	9.0
131.08516	11.2
133.10097	43.4
135.11700	6.8
139.03893	10.3
143.10651	27.4
145.10085	30.2
147.11656	15.2
149.13239	45.4
151.11142	14.3
159.11702	21.8
161.13231	85.1
167.07011	14.3
167.14311	37.4
179.14227	5.6
181.04865	13.1
191.17770	5.0
201.16403	25.4
219.17400	62.0
233.08006	7.4
237.18411	13.2
268.06851	6.0
343.84262	4.1
417.15891	6.2
431.61230	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	434.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94159	2.4
53.87671	2.4
55.05496	10.8
57.07056	4.3
67.05493	12.9
69.03417	2.7
69.07059	7.5
71.04987	8.2
71.79187	4.3
72.38946	2.4
79.05466	15.9
80.05781	2.4
81.03403	3.4
81.07042	43.9
83.04951	3.8
83.08594	9.8
84.04503	5.9
85.02892	8.7
85.06541	8.6
88.33962	2.4
88.53091	2.8
91.05466	13.1
93.07033	30.2
95.04949	3.8
95.08590	33.4
97.02867	4.1
97.06527	3.9
97.10172	3.9
99.04441	57.7
105.07011	13.1
107.08579	28.2
109.06498	3.9
109.10145	33.7
111.08113	5.8
117.05496	5.7
119.08582	24.2
121.06519	3.3
121.10126	47.8
123.08095	5.4
123.11694	36.6
125.09597	6.3
127.03920	3.8
127.07551	4.9
129.05594	2.7
131.08546	9.1
131.64996	2.5
133.10136	16.6
135.08052	3.3
135.11655	15.0
137.05887	3.3
137.09569	3.8
137.13202	4.5
143.08536	4.0
145.10126	12.0
147.11618	3.3
149.09618	7.0
149.13234	5.5
158.93726	2.6
159.11678	11.9
161.13242	18.5
163.11156	7.4
167.10625	2.8
173.13222	3.5
175.14751	7.8
177.16335	38.1
179.14307	4.3
181.12219	7.9
191.14227	4.2
191.17865	5.2
195.13791	9.1
201.16368	26.0
216.85365	3.0
219.13850	3.6
219.17372	28.4
223.62947	2.7
236.40462	2.7
237.14883	32.4
237.18448	100.0
238.18620	4.0
255.19531	49.7
256.19843	4.6
435.32272	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	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57060	1.2
51.29693	1.4
53.03932	2.3
55.01852	2.2
55.11424	1.1
57.03423	10.6
61.02917	1.9
65.03935	2.3
66.36108	1.3
67.05496	1.5
69.03408	6.0
69.48304	15.6
70.06583	8.6
72.08138	1.6
73.02892	2.0
75.04463	6.2
79.05472	2.7
81.03401	5.1
81.07026	1.8
81.88725	1.4
83.04971	1.5
84.04494	3.3
84.08121	1.9
85.02889	17.8
86.09692	3.7
89.06009	1.9
89.83871	1.3
91.05471	7.6
93.07037	3.4
95.04945	3.0
97.02894	8.0
99.04417	2.0
103.05457	25.4
105.03388	5.4
105.07036	1.8
107.04933	18.1
109.02879	2.8
109.06504	1.9
110.03662	4.6
110.07122	2.9
114.09164	5.2
115.05447	1.9
117.03365	3.0
119.04926	8.4
120.08095	3.8
121.02851	2.4
121.06486	6.5
123.04411	12.9
124.05228	1.9
126.76674	1.3
127.03893	21.6
128.04224	5.0
130.08635	2.6
131.04912	100.0
132.05264	2.7
133.06448	2.3
134.09622	1.5
135.04430	7.4
135.07993	2.1
137.05963	22.1
138.06760	12.0
138.09135	2.3
143.04930	3.2
145.02831	3.8
145.04965	3.1
145.06433	2.0
147.04395	4.3
147.10487	1.5
148.05173	12.5
149.05969	1.9
151.07533	7.5
161.05991	4.8
163.03882	47.2
163.07516	71.1
166.06262	19.9
166.08536	3.1
167.06969	1.6
175.07520	3.4
176.04491	3.3
177.05486	2.1
179.07004	4.3
181.04962	2.5
181.08568	28.3
182.08116	2.9
195.02811	2.9
207.06564	1.7
219.10156	3.3
237.11163	19.4
255.10092	4.3
255.12271	65.1
256.12585	2.5
272.12787	4.6
272.15710	2.4
273.12686	2.2
325.09146	10.0
381.90631	1.5
399.16260	2.2
434.13013	1.5
434.18365	19.1
434.23895	2.8
435.12491	1.6
435.18188	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
53.30427	0.9
55.01867	7.8
57.03431	16.5
59.04989	2.5
61.02922	17.0
67.51003	1.0
69.03424	29.6
70.06571	4.2
70.12819	5.7
70.99667	0.9
71.01343	3.4
71.04958	2.1
73.02911	73.3
79.05478	1.6
81.03407	6.3
83.04967	1.9
83.61551	0.8
84.04479	3.4
85.02898	100.0
86.00641	2.5
86.09725	1.3
87.04461	5.4
91.03976	5.1
91.05449	2.1
97.02884	59.2
98.03193	1.3
99.04442	6.0
103.03932	2.1
103.05507	1.5
105.07026	12.2
107.04932	2.0
109.02866	10.1
109.06496	1.5
115.03928	24.7
116.07037	1.5
119.08561	1.9
123.04401	4.0
127.03910	35.0
131.04909	1.0
133.04961	29.1
133.06477	2.1
145.04950	55.9
147.08044	2.7
150.07605	4.1
156.08423	2.3
156.10188	1.2
157.08763	1.7
159.08055	1.2
163.06020	23.6
163.07359	1.2
177.12869	1.2
180.08594	1.1
181.04945	2.2
193.04999	1.7
201.09085	5.2
207.06421	1.8
217.07135	1.4
219.10143	4.8
223.06027	7.7
231.10185	1.7
237.11299	1.4
241.07028	7.5
249.11052	1.3
255.12337	3.5
259.08163	13.2
271.06064	1.2
277.09109	2.9
285.13416	6.9
295.10297	6.7
302.15982	2.0
331.10172	2.9
357.92691	1.3
434.11694	1.3
434.20074	4.2
435.21988	2.3
440.78113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1801
Annotation	Naamidine D
Peak:m/z	Relative Intensity
53.03931	0.8
55.01858	0.8
57.03416	1.3
61.02915	1.3
63.43957	0.4
69.03420	5.4
69.53747	3.8
70.06567	0.8
71.04998	0.5
71.88441	0.4
73.02892	1.8
76.66673	0.4
79.05467	1.6
81.03413	2.7
84.04478	0.7
85.02897	10.2
86.09713	0.6
87.04440	0.8
89.03919	1.0
90.31675	0.4
91.05482	0.5
92.04999	3.1
93.05769	0.4
93.07035	0.6
95.04958	0.9
97.02883	4.6
99.04459	0.7
102.70072	0.4
103.05450	0.6
105.07034	0.7
107.04937	73.9
108.05244	1.4
109.02861	1.6
110.06024	18.6
110.07162	0.8
115.03931	0.6
115.05430	5.7
117.03361	1.5
117.06969	0.9
119.04908	1.3
120.08088	0.6
121.02863	0.6
121.06496	2.6
123.04411	10.0
127.03876	2.9
130.08626	0.7
131.04915	1.3
133.04970	0.7
133.06474	1.5
135.04399	5.0
135.06741	0.5
136.07545	0.6
137.05988	1.3
143.04895	15.0
145.02820	2.2
145.04997	1.2
145.06473	8.4
147.04443	0.4
149.05881	0.9
157.06403	0.5
161.05952	12.9
163.03879	22.5
164.04066	0.6
164.07040	5.9
165.07155	0.4
178.08620	0.6
191.08533	0.7
194.07338	0.9
209.05836	0.5
209.09581	3.0
219.08017	0.7
226.06218	0.6
237.09100	4.0
240.07742	1.2
254.14937	0.5
255.10124	31.7
256.10599	1.1
272.12836	33.7
273.13345	0.9
325.09198	0.5
368.43521	0.5
416.81976	0.5
431.79279	0.4
434.18124	100.0
435.18454	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	434.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.01845	0.2
55.05495	0.4
57.03410	0.5
58.19912	0.2
58.99567	0.4
61.02908	0.7
67.05503	1.4
69.03410	1.6
70.06581	0.5
70.13494	1.2
71.04959	0.5
72.08136	0.2
73.02879	0.2
76.02209	0.9
79.05480	0.6
81.03384	0.9
81.07054	0.6
83.04979	0.5
85.02888	4.5
86.09714	0.3
86.99018	0.3
94.06586	0.4
95.08588	3.9
96.08112	0.8
97.02866	1.5
99.04404	0.3
100.02197	1.3
103.20895	0.2
105.00043	0.4
105.07001	1.0
107.04955	0.3
108.05692	0.3
108.49857	0.2
109.02847	0.5
112.96832	0.2
114.09148	11.1
121.02848	0.5
122.02712	7.9
123.08047	7.3
124.03942	0.4
127.03895	1.6
130.08607	0.3
131.04866	0.4
136.03893	1.9
137.05896	0.3
143.25705	0.2
145.04900	0.6
146.02696	1.8
147.04448	0.2
151.07513	100.0
152.07898	1.8
154.04973	0.6
163.03894	0.5
163.07507	0.5
164.03741	0.6
174.11186	0.9
177.89304	0.2
188.03716	0.5
197.66997	0.2
225.43475	0.2
248.05939	0.5
268.08148	0.3
272.09448	8.7
284.07941	6.5
285.07828	0.2
318.15439	0.5
416.22446	0.6
434.14630	0.4
434.18085	0.3
434.23785	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	434.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14560	0.2
53.03910	0.2
55.05495	0.2
61.02909	0.3
62.09808	0.2
64.20738	0.2
66.91749	0.2
67.05504	1.4
68.05032	0.3
69.03424	1.7
70.00530	0.2
70.06581	0.3
70.78620	0.8
72.08112	0.2
76.02193	0.2
79.05502	0.2
81.03404	1.0
81.07044	0.4
84.04476	0.3
84.08143	0.3
85.02888	2.1
86.06043	0.3
87.04442	0.3
91.05461	0.2
93.07037	0.3
95.01324	0.4
95.04929	0.3
95.08595	3.7
96.06681	0.2
96.08112	0.7
96.68111	0.2
97.02880	1.6
100.02169	0.3
105.07005	0.6
106.02897	0.5
107.04951	0.5
108.04440	0.5
108.05713	0.3
109.02847	1.0
110.05997	0.4
114.09161	1.5
116.07076	0.2
122.02699	2.5
123.08047	7.1
124.03970	1.4
125.07081	0.6
126.07373	0.3
127.03901	1.2
130.08624	2.1
131.04875	0.2
131.08934	0.8
136.03917	12.4
137.08073	0.2
138.05508	0.3
139.03882	0.7
145.04886	0.4
146.02719	0.3
147.04424	0.3
149.02321	0.3
151.07515	100.0
152.07861	2.4
154.04956	4.6
163.03859	0.5
175.07454	0.2
190.14926	0.2
268.08154	1.1
272.09241	5.7
280.08047	1.3
284.07916	1.7
290.03082	0.2
298.09195	3.4
313.12759	21.6
314.13071	0.9
319.08069	1.5
417.18927	0.3
434.16455	1.1
434.23132	3.8
435.23782	0.3
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
55.05511	22.4
57.07057	4.2
59.04992	53.7
62.83983	2.8
64.29768	2.9
67.05494	17.8
67.05801	3.1
69.07055	4.0
70.21407	14.4
77.03860	3.2
79.05479	15.5
81.07057	21.1
83.08611	5.5
85.06533	100.0
91.05462	38.7
93.07037	36.1
95.04964	6.8
95.08608	26.9
99.08096	8.5
105.07023	37.6
107.04909	3.5
107.08576	24.0
109.06496	11.0
109.10145	17.8
111.08089	9.1
115.05453	7.3
117.07008	18.4
119.08559	59.2
121.06551	3.1
121.10141	28.4
122.07237	4.7
123.08080	11.3
125.09631	19.7
128.06221	7.4
129.07016	7.8
131.08566	24.1
133.10101	24.2
135.08067	8.4
135.11722	13.4
137.09608	25.3
142.07793	11.6
143.08549	19.8
145.10110	28.4
147.08025	4.5
147.11682	10.6
148.62996	2.8
149.09596	7.7
151.11162	32.2
155.08542	7.0
156.09392	7.2
157.10060	21.7
159.08020	4.0
159.11700	9.6
161.09613	6.0
161.13278	4.5
163.11182	8.3
165.07033	4.7
167.08572	5.2
168.09392	6.6
169.10098	14.3
171.11674	14.6
173.09581	6.6
173.13219	8.1
175.11160	7.3
175.14851	4.0
177.12730	3.8
179.08553	6.5
180.09279	3.2
181.10153	8.2
182.10925	4.3
183.11621	15.6
185.13242	8.8
187.11200	4.1
187.14915	4.7
189.12674	4.9
193.10213	4.2
194.10869	4.4
195.11726	8.8
197.13321	9.2
199.14813	4.5
201.12679	3.3
203.14355	8.4
205.10107	3.6
207.11743	4.6
209.13274	8.7
211.14838	3.5
215.14307	9.0
221.13313	6.9
223.14995	6.7
225.16399	4.5
227.14449	4.1
235.14763	6.3
235.17001	6.3
265.19418	3.5
275.20233	3.3
341.24731	7.5
433.30942	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	433.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05507	3.6
56.05000	1.1
57.03422	1.3
57.04536	2.0
58.06586	0.7
61.02913	0.8
67.05480	1.7
68.05024	1.3
69.03419	11.3
70.06567	2.7
71.04977	1.0
71.78631	0.9
72.08122	3.3
73.02894	1.7
74.06078	3.0
75.06379	0.7
76.15237	0.8
78.03405	0.7
79.05472	1.0
80.04983	1.1
81.03409	4.4
81.07032	0.7
82.05318	0.7
82.06565	1.5
84.04485	2.2
84.08138	4.6
85.02881	10.1
86.06055	10.3
86.09686	5.0
87.04449	8.3
91.05441	0.9
95.01363	0.7
95.04937	0.7
95.08601	3.5
95.88918	0.6
96.08115	0.9
97.02879	5.8
97.07643	6.7
98.06028	1.9
98.97568	0.9
98.98463	0.8
99.04439	1.9
102.05528	0.9
103.03931	0.8
104.07097	0.8
105.06994	1.3
106.02890	1.6
106.81135	0.6
107.04932	1.9
109.02868	4.1
109.06512	0.7
110.06022	2.2
110.09689	0.6
110.82118	0.7
111.05524	1.2
112.07591	8.7
113.05975	0.7
114.09158	3.3
115.09460	0.7
116.07073	2.6
116.98558	0.6
119.04967	0.9
122.02731	3.4
122.03487	0.6
123.04433	1.5
123.08057	7.5
124.03927	4.9
125.07095	30.3
127.03891	9.8
128.07091	1.3
129.05472	0.7
130.08617	89.2
131.04924	1.3
131.08983	1.7
133.06487	0.7
135.04424	0.9
136.03912	16.2
137.02402	0.7
137.05954	1.4
139.03862	2.5
142.09750	1.0
143.08142	1.7
144.06586	1.6
145.04959	2.1
147.04343	1.2
149.02237	0.8
151.04016	3.3
151.07512	96.6
152.07028	0.7
153.05376	0.7
154.04971	7.5
159.06502	0.7
160.09676	1.9
160.10814	1.9
161.09897	0.7
163.03877	2.6
163.07678	0.7
165.05461	0.9
167.07001	1.0
172.09659	0.9
173.06044	0.8
177.00702	1.2
177.05394	1.0
181.04971	1.6
182.05713	1.6
197.08089	1.2
255.10199	0.9
256.11664	1.0
268.08179	3.0
272.09192	5.1
274.12738	1.2
280.08072	2.0
284.08069	1.5
287.12265	0.9
292.13852	0.9
298.09198	3.6
313.12781	21.5
319.08096	4.3
348.03702	0.8
354.70886	0.7
359.18027	5.9
402.18594	1.6
403.14163	0.6
416.20303	5.8
433.17191	8.1
433.22861	100.0
434.16797	2.4
434.23221	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1339
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03936	0.6
55.01842	0.3
57.03425	0.4
61.02908	0.4
63.10715	0.2
63.63310	0.2
65.03919	0.4
65.28601	0.2
69.03422	2.6
70.06580	0.2
71.04980	0.8
71.07810	0.5
73.02888	0.6
79.05479	0.7
81.03409	2.9
82.04200	0.2
84.04482	0.2
85.02897	6.2
86.09681	0.3
91.42747	0.2
95.04950	0.5
97.02879	3.9
97.06553	0.3
99.04442	3.4
103.03938	4.8
103.57409	0.2
105.07029	0.5
107.04942	1.8
109.02861	3.4
111.04340	0.2
112.55698	0.2
123.04446	0.4
125.06004	0.3
127.03899	100.0
128.04231	1.8
130.08577	0.2
131.04921	0.4
133.06450	0.4
137.02364	0.8
137.05959	0.2
142.02522	0.2
145.04948	3.6
147.04399	0.3
153.05489	0.2
155.06917	0.2
161.05984	0.8
163.03899	0.5
163.06035	0.8
163.07306	0.2
167.07030	1.8
169.05008	0.2
171.06512	0.3
181.04936	6.6
187.05988	1.0
193.08675	1.0
203.06984	0.2
205.06857	0.2
221.08066	2.1
226.15430	0.2
249.07539	1.0
255.10211	0.3
271.08109	0.5
272.12933	0.3
272.16049	0.3
289.09418	0.2
326.86508	0.2
371.11710	0.2
389.12592	0.2
403.13828	5.0
404.14279	0.3
433.10992	0.9
434.18137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
50.70077	0.9
69.67639	8.5
71.04033	1.1
72.08134	1.6
81.03396	3.1
85.02876	3.8
91.05460	1.8
97.02886	2.4
98.20682	1.9
107.04913	1.5
108.23972	1.0
109.02852	2.9
114.09206	1.1
119.04922	4.1
121.02854	9.7
121.06482	1.6
124.03983	1.4
136.07576	2.1
138.09154	1.5
141.01834	1.2
143.61446	1.0
145.02834	3.4
147.04375	2.8
148.04732	1.2
163.03877	4.4
164.04201	1.4
164.07039	3.3
165.01814	10.8
167.03331	2.1
173.35355	1.0
181.05078	1.4
183.02850	4.4
187.03847	1.6
191.03278	1.4
195.02838	2.6
197.43591	0.9
205.04955	1.1
213.05528	2.0
217.04872	1.9
229.04979	1.9
242.05620	1.1
255.06488	2.6
256.07318	2.7
261.03925	1.8
267.06534	4.5
270.05130	3.0
271.06027	6.3
279.06665	1.4
281.08115	5.6
283.05991	100.0
284.06741	23.4
285.07721	1.6
295.06012	13.9
295.09738	3.7
297.07510	10.0
305.08063	2.6
307.05920	2.0
308.06741	1.4
309.04153	1.5
309.07501	19.0
310.07974	1.5
313.07037	88.5
314.07394	2.6
321.07327	2.6
323.05515	1.8
323.09064	19.5
325.07031	2.9
333.07648	3.7
337.07043	37.4
338.07462	1.5
343.08185	2.2
349.07028	8.3
351.08569	4.1
355.07925	1.2
361.06995	5.9
367.08124	25.1
379.08054	17.5
397.09152	29.6
398.09634	1.4
415.10242	29.6
416.10370	1.5
433.11270	42.5
434.11728	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	433.1119
Annotation	Kaempferol 7-O-alpha-L-rhamnofuranoside
Peak:m/z	Relative Intensity
53.03954	0.6
55.01868	0.5
55.05491	1.3
57.03188	0.4
57.03429	4.2
61.02917	0.6
64.94665	0.3
65.03926	0.9
66.11159	0.4
67.05482	1.2
68.24355	0.4
68.99777	1.3
69.03422	8.9
69.07046	0.9
70.06557	0.5
71.04984	28.1
71.69607	0.4
71.79877	0.4
72.08131	0.5
72.13617	0.3
73.02898	0.7
75.04455	0.8
79.05476	1.5
81.03416	1.1
81.07037	2.0
83.04957	1.5
84.04475	0.7
84.08156	0.6
85.02893	27.4
86.09690	1.8
87.04449	1.0
91.05464	1.3
93.07037	1.4
95.04935	1.4
95.08583	1.5
97.02856	0.8
97.06501	0.8
99.04450	0.6
103.05403	0.5
105.03368	0.6
105.06996	1.7
107.04942	1.2
107.08572	1.4
109.02834	1.3
109.06474	0.7
109.10126	1.6
111.00793	0.8
111.04420	1.9
111.08074	0.4
115.05436	0.7
117.06993	0.5
119.04896	0.9
119.08565	1.0
120.08054	0.5
121.02854	12.2
121.03756	0.6
121.10104	1.1
123.04414	1.0
123.11711	0.5
125.09647	0.5
127.03896	1.0
128.06192	0.5
129.05453	6.4
129.06969	0.7
131.04932	0.8
131.08513	0.9
133.02827	0.8
133.06471	0.5
133.10081	0.9
135.04370	0.6
135.08029	0.6
135.11626	0.8
137.02330	1.0
137.05948	1.3
137.10690	0.4
139.03880	5.5
141.07036	0.6
143.08568	0.9
145.06519	0.7
145.10077	0.9
147.04405	2.1
147.06522	0.7
147.11656	1.0
151.03864	1.0
153.01826	3.4
157.06410	0.6
157.10130	0.7
159.11696	0.7
160.05139	0.5
161.02307	0.9
161.05968	1.4
162.03227	0.4
163.03900	1.8
163.07503	0.4
163.11053	0.4
164.07027	1.1
164.15894	0.4
165.01801	1.4
165.05487	0.9
167.03401	0.5
167.07094	0.9
169.05035	0.5
171.04449	0.6
173.05992	1.1
173.09547	0.5
175.03902	1.2
175.14783	0.8
179.03368	0.6
181.04921	1.8
181.06392	0.8
183.02864	1.4
187.07501	0.6
189.05397	1.0
189.09102	0.9
197.06015	0.8
201.05385	0.6
203.06955	0.6
205.04958	0.5
205.08524	0.5
207.06537	0.6
213.05440	1.4
213.09207	0.4
215.03325	0.4
215.07018	0.7
217.05074	0.7
217.08656	0.5
217.15906	0.8
219.02979	0.4
226.06377	0.5
227.06804	0.7
229.04887	1.0
231.06349	0.7
235.16936	0.7
239.07155	0.5
241.04968	1.2
243.06442	0.9
245.04338	0.7
247.09657	1.1
253.18111	0.6
255.06516	1.6
258.05234	1.2
259.05954	1.3
259.09677	0.9
263.05383	1.1
267.06607	0.5
269.04477	0.8
271.05902	1.9
272.06778	1.0
277.08405	0.8
283.05936	2.5
285.03961	0.7
286.04660	2.1
287.05457	100.0
288.05740	2.1
297.07507	1.3
299.05444	21.4
300.06186	3.9
301.06784	0.7
311.05429	4.9
313.06998	2.3
314.08441	0.6
323.05432	0.7
323.09119	0.5
325.07004	5.8
327.05063	0.6
327.08676	1.2
329.06522	29.0
330.06873	0.7
335.09052	1.0
337.06927	1.9
337.10641	1.2
339.04910	0.8
341.06433	1.1
346.20688	0.5
351.08588	3.7
353.06519	12.1
355.07953	0.8
355.11884	0.6
359.07230	0.7
361.06970	0.9
365.10071	0.5
371.07361	0.7
373.12448	0.5
379.08047	12.3
383.11133	0.5
397.09106	27.8
403.13751	0.9
415.10101	9.5
415.15219	1.1
425.33530	0.6
433.10822	10.4
434.12137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81924	1.9
55.01858	1.7
55.05492	6.5
57.03415	3.1
67.05486	6.8
68.99788	1.7
69.03416	8.8
69.07037	5.5
69.52666	2.0
69.53073	14.5
70.06590	2.6
71.04984	16.7
72.50777	1.4
73.63662	1.4
74.87919	1.3
76.58347	1.4
79.05481	10.9
81.03392	5.5
81.07038	29.1
83.04958	3.2
85.02888	18.7
85.06514	4.9
86.09689	2.4
87.04424	2.1
89.63512	1.5
91.03946	1.6
91.05460	14.6
93.07034	16.8
95.04949	16.0
95.08594	16.0
97.02872	7.3
97.06501	6.1
99.04476	1.7
101.02342	2.5
103.05452	1.9
105.07008	56.9
107.08573	35.7
109.02852	3.8
109.06501	19.4
109.10166	8.6
117.07018	2.0
119.03383	9.3
119.08562	28.1
121.06495	3.5
121.10149	9.6
123.08034	3.8
123.11681	3.9
125.09550	1.8
127.03876	9.6
129.06979	1.5
131.04868	1.9
131.08540	5.0
132.09189	1.5
133.10100	12.5
135.07982	1.6
135.11635	4.1
136.07527	2.3
137.05934	1.9
137.09644	2.4
137.13222	4.4
139.03864	6.2
145.04945	10.7
145.10097	5.1
145.21867	1.5
147.04367	1.8
147.11658	94.5
148.11983	2.6
149.09589	3.4
157.10101	5.4
159.11656	4.1
161.09621	1.8
161.13229	2.8
163.03900	1.7
163.05983	4.2
164.06935	1.4
165.05389	2.2
165.12733	43.1
166.05753	1.7
175.11143	1.5
175.14787	3.6
181.04877	1.9
186.05446	2.2
189.12668	2.0
189.16266	2.5
193.08601	1.7
199.14774	2.3
207.13692	1.5
214.08560	4.4
217.12198	3.0
217.15808	5.0
219.17387	3.4
219.61116	1.5
224.06963	1.9
228.06377	2.2
235.13185	5.4
235.16820	6.6
242.08035	9.8
244.06030	14.7
253.14236	2.4
253.17938	4.7
260.09189	3.8
263.11810	3.2
265.13110	1.8
270.07571	12.0
272.05634	7.1
287.05472	4.2
288.04880	1.6
288.08517	1.8
298.07016	8.1
300.08475	1.8
316.08072	23.9
318.09628	2.1
370.12717	1.9
383.65833	1.6
396.14444	3.5
403.13953	2.4
414.15387	100.0
415.15634	8.7
432.16666	26.2
432.25037	2.9
433.16534	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	432.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05502	0.6
56.96542	1.4
57.03420	0.8
61.02927	0.8
69.03414	2.8
69.07061	2.2
70.00307	2.7
70.06590	3.0
71.04971	0.6
72.08148	2.3
73.02885	0.8
73.06532	1.2
73.80344	0.4
74.06063	0.5
79.05480	0.8
81.03399	1.4
83.04967	0.8
84.04476	1.0
84.08132	3.3
84.96021	0.5
85.02903	5.0
86.09695	3.3
87.04451	0.8
87.08102	0.6
88.02185	1.0
88.03965	0.6
91.05447	0.7
93.07021	1.6
96.08120	1.1
97.02884	2.3
98.06033	1.3
98.97576	2.5
99.04397	0.8
103.05447	5.4
107.04940	2.2
109.02834	1.2
110.07186	0.5
111.04456	0.5
114.09154	3.7
116.07076	0.5
116.98612	1.4
119.04977	0.5
120.08087	100.0
121.06515	0.7
121.08440	1.8
122.06023	0.7
122.08748	0.5
123.04419	0.5
124.03938	1.5
127.03899	1.5
128.98598	0.9
129.10217	0.9
130.08620	1.3
131.04918	2.8
131.12923	0.7
137.05956	1.4
138.05482	0.9
138.09109	0.5
139.03951	0.5
140.07050	5.0
141.07408	0.4
145.02852	0.7
145.04965	1.4
147.04387	1.0
149.05956	2.1
157.07646	0.6
158.99706	0.5
160.09674	1.3
161.05977	0.8
163.03906	2.0
163.07545	0.5
165.05469	1.4
166.08615	53.6
167.07018	1.1
167.09019	1.2
169.04926	3.5
177.05443	1.4
184.06047	0.5
189.00717	0.6
191.06862	0.7
195.06499	2.1
203.07027	0.7
219.01776	1.2
221.08105	2.3
237.02853	1.1
252.12206	2.4
260.10132	0.6
268.08194	0.6
270.13318	14.2
271.13800	0.8
281.10187	2.3
288.16870	0.6
309.08557	1.0
346.20892	0.6
351.09625	0.7
414.17374	0.6
432.13019	0.6
432.18515	8.3
432.23511	0.9
433.17657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27202	1.1
53.03934	5.4
55.01867	1.5
55.49363	1.0
57.03419	1.7
61.02911	1.7
68.99765	4.6
69.03082	1.9
69.03418	20.3
70.07872	6.1
71.04963	2.3
72.08131	1.6
73.02888	2.3
79.05476	27.8
81.03401	28.2
85.02886	22.8
86.09699	3.1
87.00317	1.9
87.00813	28.6
88.03976	1.3
89.06013	7.2
91.05460	3.4
93.07017	3.4
95.04947	2.1
96.08107	4.5
97.02877	24.1
98.94936	1.1
99.04451	8.4
103.05448	100.0
104.05760	2.7
105.01840	3.7
105.04496	1.3
105.06981	3.7
107.04937	52.5
107.91837	1.0
107.92635	0.9
108.04442	3.4
108.05160	1.2
108.33958	1.1
109.02854	42.9
109.21439	1.1
111.10423	2.1
121.06484	30.3
126.05479	1.6
127.03895	57.3
129.01785	2.7
129.06935	2.2
131.04907	75.3
131.40265	1.0
132.05246	2.3
133.08574	3.5
137.05910	1.2
141.01833	6.4
145.04951	15.4
147.04375	5.4
149.05963	38.4
150.06329	1.3
154.22224	1.1
159.02844	3.3
165.07213	1.0
167.06992	1.4
177.05518	1.5
189.05495	1.3
195.02832	1.9
197.08049	1.6
207.06499	25.4
211.07492	2.1
213.03870	9.7
217.04976	2.5
229.08611	5.8
231.04893	11.4
235.05977	21.0
253.07011	16.9
253.09407	1.9
257.07919	2.3
258.80292	1.2
275.09161	2.5
307.08090	4.6
325.07132	1.6
333.09628	3.6
343.08081	1.5
351.10870	1.8
361.09097	8.3
371.11044	2.6
379.10193	20.1
397.10812	2.6
404.25278	2.8
415.10358	2.0
415.25284	2.6
432.25558	4.1
433.11426	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	432.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47719	0.9
55.01863	2.4
55.05505	1.8
56.96558	15.8
57.03419	4.6
58.99862	1.4
61.02913	5.0
67.85287	1.1
68.05003	1.2
69.03409	9.1
69.07047	1.6
70.03757	5.2
70.06580	7.8
70.98123	1.4
71.04977	2.7
72.08131	2.4
73.02902	3.2
77.00910	1.5
81.03400	3.3
81.86961	1.1
83.04944	1.3
84.08147	6.2
84.96013	2.0
85.02895	15.1
85.06544	1.2
86.06044	1.9
86.09689	4.5
87.04447	1.0
88.99152	1.7
91.02440	1.8
91.05463	2.6
94.06528	1.2
95.04948	1.8
96.08094	1.5
97.02878	9.4
98.21445	1.2
98.97572	15.9
99.04439	2.3
101.00871	2.1
102.05522	1.2
106.06571	1.2
107.04945	1.9
109.02856	2.3
110.06047	1.2
110.07123	1.7
110.97540	2.1
112.07602	3.7
114.09146	8.0
115.03912	1.4
116.98607	14.9
119.01910	9.7
119.04927	2.8
121.06467	3.5
121.18436	0.9
122.06063	1.1
124.03977	0.9
127.03902	5.6
128.98604	5.6
129.10219	2.5
130.06546	1.1
130.08629	34.3
130.10649	1.2
130.93262	7.6
131.00195	2.1
131.01897	3.6
131.08952	2.5
133.03432	2.9
134.99628	8.5
136.06146	3.5
137.02928	3.0
137.05930	9.1
138.05501	1.4
139.03830	1.2
140.07022	2.0
143.00140	1.5
143.01880	2.0
143.05539	1.6
145.01709	1.7
145.03473	2.4
145.04971	2.6
146.99655	5.1
147.03253	1.9
147.04404	5.7
148.94328	3.5
149.02933	2.6
152.05675	3.1
154.93243	5.0
155.01920	1.2
155.04634	1.9
156.05043	1.9
157.03464	1.9
157.07556	1.9
158.99640	5.9
159.05025	3.5
160.09674	3.6
161.01201	3.1
161.02863	4.8
161.06641	1.1
162.99113	1.9
163.02635	1.8
163.03944	3.3
164.00952	1.0
164.02284	1.3
165.00676	4.9
166.95107	1.0
167.07024	2.6
168.05301	1.4
170.04941	1.0
170.06610	1.1
170.99678	1.3
171.01314	1.6
172.08177	1.9
172.50421	1.0
172.94336	14.2
173.01286	1.2
173.02933	3.6
174.06186	1.6
174.55161	2.2
174.95901	2.1
174.97690	1.3
174.99315	1.7
175.00842	10.2
175.04503	2.9
177.00743	6.3
177.05984	3.2
179.07047	3.5
185.01166	1.0
186.04362	4.4
186.05981	2.2
186.99120	2.0
187.02791	1.3
187.04414	1.6
188.06029	2.1
188.07646	16.6
189.00696	2.5
189.02420	5.3
189.06056	1.5
190.09291	2.4
190.95377	26.1
190.98581	1.9
191.02257	1.1
193.00371	1.5
193.01933	5.4
196.01297	1.1
197.01283	1.2
197.03099	1.3
200.07639	3.9
201.00681	1.7
202.09238	1.7
202.98523	1.1
203.02299	1.6
203.04050	2.9
203.07649	1.2
204.05408	2.4
204.07161	1.5
204.96936	7.8
205.00201	3.0
205.01891	1.2
206.08707	14.3
207.07019	1.5
207.08910	1.1
208.96437	12.5
208.99597	1.8
212.07654	21.0
213.02380	1.1
213.97037	2.5
214.03928	1.6
214.05797	1.3
214.09239	1.5
214.95357	6.9
215.03996	3.2
215.10716	1.5
216.05348	2.4
216.07175	4.4
216.96884	1.8
216.98737	2.8
217.01976	2.7
217.05467	2.1
219.01682	5.4
221.05139	3.1
222.97998	4.2
223.01186	2.5
224.07829	5.2
224.09760	1.2
226.02135	1.4
226.09273	1.9
230.08707	45.3
231.03427	2.9
231.08920	3.5
232.96429	27.5
234.08456	1.3
235.02901	4.5
237.02809	7.4
241.01973	1.3
242.08722	25.9
243.03427	2.0
244.10472	2.8
245.06898	2.9
246.97890	2.5
248.09802	1.5
249.04558	2.5
250.97557	8.4
253.03806	1.9
253.10269	1.3
254.08739	30.1
255.08929	2.6
255.98045	2.5
256.10144	1.9
258.06155	1.6
258.08499	2.3
258.99811	1.3
259.02878	3.8
260.10089	4.2
261.04550	4.2
264.98990	1.7
266.08820	5.3
269.01315	6.8
270.94379	3.0
272.09885	10.1
274.97482	3.9
276.07581	2.4
283.57291	1.2
287.02454	3.6
288.95361	8.7
289.12723	1.9
292.13885	1.8
292.98495	2.6
293.10645	1.4
294.11099	1.8
301.04184	3.2
301.07581	1.3
302.96957	2.6
306.08185	1.2
306.61273	1.8
306.96393	1.9
309.08463	2.0
312.95383	10.6
313.00433	2.5
314.07364	1.2
314.10806	30.5
314.61151	2.3
315.11023	2.5
320.97913	2.5
329.03854	4.7
330.08411	3.6
330.96436	23.9
331.01004	2.1
332.11856	100.0
333.12125	11.1
345.02921	3.5
348.09656	2.3
348.97528	7.5
353.97852	1.3
355.13403	3.5
363.04080	4.0
372.97485	25.2
373.02432	7.9
388.13077	1.1
390.98468	8.6
391.03424	4.5
391.07892	2.0
414.00269	2.4
414.17673	2.8
432.13391	24.5
432.18707	5.7
432.24615	4.3
433.13583	3.7
433.19394	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	432.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
52.30630	0.3
53.03931	1.2
55.01859	0.4
57.03409	0.4
65.03930	0.8
67.05495	0.3
69.03419	3.1
69.65160	0.3
70.06564	0.4
71.04969	0.5
71.79205	0.5
72.08135	0.3
73.02890	0.3
78.03030	0.4
78.03445	5.0
79.05441	0.3
79.32877	0.2
80.04988	0.8
81.03405	5.7
82.02939	0.3
84.08133	0.3
85.02888	3.3
86.09692	0.5
87.04448	0.3
91.05464	7.7
93.07026	1.0
95.04950	1.0
96.04472	1.8
97.02861	2.0
99.04439	1.4
100.93480	0.3
103.05478	0.3
105.07001	0.5
106.02899	19.5
107.03282	0.3
109.02865	3.7
117.03371	1.0
119.04924	21.8
121.06488	9.7
123.04414	4.9
124.03933	34.3
125.04292	0.4
127.03902	2.4
127.92133	0.3
130.08618	0.5
136.07544	0.5
137.02283	0.4
137.05917	0.4
145.02824	2.9
147.04384	100.0
148.04723	1.0
149.05966	0.3
157.10152	0.3
164.07095	0.5
165.05406	2.0
166.04982	1.3
177.05453	7.0
187.31673	0.3
196.06073	0.3
225.14836	0.7
231.06421	0.4
232.06029	0.3
235.16928	0.4
250.07043	7.9
253.14517	0.4
268.08124	23.4
269.08374	0.5
316.05240	0.8
370.06247	0.9
371.11313	0.4
388.13678	0.3
388.29593	0.4
396.11261	0.3
414.12112	4.7
432.12961	9.1
433.10971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.6
57.06815	0.4
57.07071	3.0
62.95570	0.4
67.05492	3.1
67.11318	0.4
69.07039	0.9
70.98907	1.3
71.08620	1.9
72.08949	0.4
77.03954	0.5
79.05481	0.7
81.07034	1.4
83.04948	0.7
83.08604	0.4
85.10150	0.7
91.05442	1.0
93.07025	1.8
95.08583	1.2
96.08920	0.4
98.26448	0.4
107.08572	0.5
108.09417	0.4
109.10136	4.4
119.08545	2.5
121.06484	10.1
121.10208	0.4
122.07296	1.2
123.08082	0.8
135.08020	1.2
135.11630	0.6
136.08829	12.9
137.09608	11.8
138.10004	0.3
145.10010	0.4
149.05913	0.5
149.09625	3.5
150.09975	0.8
151.07515	0.9
152.08336	1.2
160.08693	0.4
163.11182	2.1
164.08310	31.0
164.11485	1.6
165.09090	100.0
166.09431	7.3
173.09526	0.6
175.11130	0.9
176.08278	0.5
176.11618	0.4
177.09132	2.5
177.12663	0.5
178.09508	0.7
185.59724	0.4
187.11153	1.0
190.09842	1.0
191.10635	1.8
192.10933	0.5
201.12737	0.4
205.08755	0.5
205.12224	7.2
206.12685	0.7
216.14546	0.4
220.14197	0.6
223.09518	0.7
224.52538	0.5
265.76233	0.4
363.21890	0.4
412.36374	0.7
430.37964	72.0
431.38211	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	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01857	3.0
55.05496	1.6
56.43539	0.7
57.03432	1.7
67.05500	4.8
69.03423	1.3
69.07052	1.9
69.49195	1.2
69.49603	6.0
70.06594	3.1
73.02905	1.6
73.12869	0.7
79.05483	14.9
81.03393	1.0
81.07046	7.3
83.04960	1.4
85.02893	2.9
86.09688	1.3
91.05477	6.2
93.07037	17.3
95.01321	2.4
95.04956	1.9
95.08591	2.2
95.75694	0.7
97.02872	1.1
97.06536	1.1
103.05456	1.8
105.07028	4.7
107.08574	12.6
107.09241	0.5
109.06456	0.9
109.10148	1.0
113.02298	0.9
117.06983	3.4
119.08562	10.1
121.06491	1.4
121.10143	12.1
123.11716	0.8
124.07609	0.7
129.05487	1.7
129.07005	1.0
131.03354	0.7
131.04904	2.0
131.08557	2.2
133.10115	2.7
135.08073	1.8
135.11674	22.2
136.07556	1.0
137.05968	1.2
140.07072	0.9
141.01810	3.5
143.08488	1.3
145.10112	14.1
147.11667	2.8
153.05453	0.8
154.06525	1.8
157.10149	1.1
159.11658	1.0
161.09613	1.7
163.11163	100.0
164.07037	0.8
164.11517	2.6
165.05510	0.7
165.12750	0.9
167.07138	1.1
168.08078	1.0
169.10133	0.8
175.11160	0.9
177.12767	1.4
180.08034	2.4
182.57576	0.6
185.09456	0.8
187.11143	1.2
196.05858	1.0
199.11087	1.0
205.12285	0.8
208.07542	2.6
229.12221	0.7
234.12102	0.9
237.14861	5.3
237.43387	0.7
239.10660	1.1
239.16420	1.8
241.12216	0.9
251.19952	0.8
253.14316	0.8
255.15955	3.8
257.11743	0.9
269.17578	0.8
287.16498	1.2
291.15915	0.8
316.08582	0.9
321.13370	1.3
321.89474	0.8
330.09558	3.2
345.20331	1.3
359.14990	0.7
377.15729	1.0
413.12689	0.7
413.17963	1.9
414.15396	3.3
419.53052	0.6
431.13098	1.2
432.16516	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71035	1.0
53.03942	8.7
55.01865	10.2
55.05479	1.0
57.03421	5.9
60.04517	1.8
61.02919	7.5
61.94349	1.0
67.05492	2.3
68.99777	3.0
69.03419	36.7
69.07033	2.4
70.02296	6.4
70.06601	1.5
71.04981	5.3
73.02910	8.2
79.05503	1.3
81.03405	36.7
81.07042	1.8
83.01357	1.5
83.04941	1.3
85.02892	100.0
86.03262	1.5
86.09690	1.6
87.00816	30.1
87.04452	1.5
91.03941	2.8
91.05470	4.7
93.07038	2.9
95.04966	1.2
95.08599	2.9
97.02877	60.3
97.06522	1.4
98.03234	1.3
99.04444	21.7
105.01850	35.2
105.07027	4.3
107.08578	2.9
108.04450	10.1
109.02863	39.7
109.06538	1.1
109.10113	1.2
110.03216	1.3
111.08073	1.3
114.09125	1.7
115.03924	1.6
116.46033	1.3
117.01822	4.0
117.08205	1.2
119.08595	2.5
122.06033	2.0
123.08076	1.2
124.05188	1.6
126.05515	4.0
127.03896	89.9
128.04309	2.0
129.01808	4.9
131.08557	1.4
133.06436	1.3
135.08017	1.3
136.07599	1.8
137.05930	5.7
145.04938	53.3
145.10106	2.8
147.02841	4.0
150.69409	1.0
157.06432	1.1
159.02867	25.1
159.11693	1.7
161.05922	1.3
161.09615	1.7
165.09070	5.7
166.53496	1.4
168.56638	1.3
169.07639	1.7
171.11737	1.2
173.09570	1.3
175.07489	1.7
175.11035	1.2
181.04901	1.3
183.05542	1.9
187.11015	1.1
189.03993	1.8
189.09047	6.2
195.05559	1.9
196.06216	1.2
197.07100	2.5
212.05626	1.7
213.03925	3.6
213.06601	2.5
215.14160	1.1
221.07019	1.4
225.06635	5.5
229.06253	1.7
230.06554	3.7
231.04967	22.4
231.10201	1.5
233.15318	3.7
239.08067	2.1
248.07608	4.8
249.06186	3.5
255.10036	1.6
271.07095	2.8
273.11353	2.4
285.08759	2.2
295.07114	3.1
313.08093	2.1
325.50974	1.1
344.19357	3.4
362.20361	2.0
366.14029	1.4
370.13995	4.8
384.15225	2.0
407.46060	1.2
412.14648	4.0
412.25333	1.2
430.15967	14.3
430.26041	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	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81017	1.9
51.51146	2.1
53.03925	4.0
56.71182	2.1
57.03411	7.3
61.02909	3.5
67.05488	4.4
69.03420	44.6
69.07056	5.9
70.06596	2.9
71.01354	2.2
71.04982	12.0
71.07644	4.6
71.07972	2.8
73.02894	2.8
79.05475	4.3
81.03408	31.3
81.07036	6.9
83.01302	3.7
83.06110	2.3
83.08611	2.8
85.02889	58.9
86.09660	5.2
87.00824	26.2
87.04447	4.0
91.05446	4.2
93.07060	5.0
95.04955	4.0
95.08580	5.2
95.18968	2.2
97.02876	75.4
97.06515	7.7
99.04445	28.3
101.02355	3.0
105.01858	21.9
105.07006	9.3
107.08550	4.0
109.02859	15.0
109.06507	3.2
119.08590	4.2
119.29768	2.2
121.06459	4.0
121.10110	2.9
124.05183	6.3
127.03899	100.0
133.06445	9.4
133.10130	3.4
135.08080	2.7
137.05936	18.2
145.04948	69.8
145.10092	6.4
149.09593	3.3
151.07582	3.1
157.10001	2.5
159.07880	2.5
159.11594	4.9
161.05838	2.2
165.09077	29.0
171.02695	2.5
173.13258	3.2
187.11064	2.3
215.14099	3.4
231.02850	4.4
231.04976	54.3
233.11670	10.1
233.15317	8.1
249.06001	19.0
251.12787	7.2
266.08545	3.4
344.19153	4.6
383.14203	2.3
399.21896	2.1
412.14456	3.8
430.14157	2.3
431.13278	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	430.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01862	12.3
55.05496	1.5
56.96552	7.7
57.03425	15.5
59.04977	3.0
61.02909	4.0
66.69724	1.1
69.03432	7.6
69.07043	4.5
70.06583	6.1
70.51292	3.2
71.01349	6.6
71.04993	6.3
71.53971	1.1
72.08126	2.5
73.02905	11.4
74.17770	1.1
79.05454	1.2
81.03394	4.9
83.01340	5.1
84.08105	3.1
84.96037	1.2
85.02898	19.2
85.06528	1.4
86.09690	1.2
87.00830	2.1
87.04459	11.9
88.03979	6.6
89.02377	5.7
91.05422	1.4
93.20142	1.1
95.01312	1.8
95.37247	1.1
97.02867	8.7
98.97577	14.7
99.04408	2.4
101.02367	24.4
103.03947	2.6
107.04929	1.6
107.08576	2.4
109.02860	3.0
110.97540	3.2
111.00768	7.9
112.07571	3.2
113.02366	1.9
114.09145	2.6
115.03918	41.3
116.98612	9.9
121.06494	5.6
121.10138	1.4
123.04440	2.1
127.03918	3.8
128.98604	3.2
129.00932	2.2
129.01833	31.6
129.10188	1.5
130.08638	5.1
130.34500	1.1
131.03398	1.6
133.02876	3.1
133.04935	5.9
133.09982	1.6
134.99644	5.1
135.04379	3.3
136.06171	7.3
137.05951	2.9
138.09128	2.3
140.07057	1.4
141.01785	2.2
143.00139	1.4
143.03383	17.3
145.02800	2.3
145.04967	3.1
146.99620	3.8
147.02971	4.3
147.04367	1.6
149.01218	1.6
152.05807	1.4
155.04622	4.4
156.03316	1.2
157.01311	34.7
158.06532	1.1
158.99680	5.1
159.02922	3.4
161.01227	1.7
161.04431	22.2
161.05824	1.9
163.02669	1.5
163.03903	18.5
164.05307	1.6
165.04268	1.3
167.06976	2.7
171.02866	10.9
173.02924	1.2
175.02411	3.0
177.00723	5.1
177.05450	2.4
177.09074	1.2
186.04193	2.3
186.05658	2.8
187.03957	1.3
189.03926	100.0
190.04266	2.4
195.08072	1.3
204.05200	2.5
205.08595	3.8
206.08830	1.8
207.04962	12.5
219.01740	5.5
223.09604	4.7
224.09967	3.1
227.06706	10.1
227.56950	2.6
232.06007	9.2
237.02696	8.3
250.07048	8.9
268.11700	1.3
271.04611	1.5
272.10080	4.4
272.60080	1.5
275.04123	1.7
289.05557	2.5
291.07489	2.2
295.07544	2.1
308.17239	1.6
309.08588	4.5
317.04861	2.2
320.17535	1.6
325.17935	1.8
326.18317	1.6
335.06049	5.3
341.05103	1.6
343.18900	3.0
344.19431	7.2
359.06073	9.1
362.20313	3.9
377.07111	18.2
389.07278	2.9
394.11664	1.9
395.08286	10.8
407.12460	2.3
413.09158	2.2
430.10593	2.0
430.16211	4.0
430.22723	3.5
430.27612	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	429.3721
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03925	0.7
55.05519	2.6
57.07071	16.3
67.05491	4.5
69.03403	0.7
69.06719	0.7
69.07058	6.7
71.01641	0.5
71.04977	0.6
71.08236	0.7
71.08620	11.0
71.39800	1.0
79.05469	2.1
81.07045	6.8
83.08600	3.1
85.10176	5.7
87.78329	0.5
89.93135	0.5
91.03484	0.4
91.05447	2.3
93.07028	2.9
95.08582	7.4
97.10139	1.7
105.07014	2.4
107.07980	0.7
107.08585	5.9
109.10138	6.2
111.04418	0.8
111.11661	1.3
113.82915	0.5
117.06969	0.8
119.08587	2.7
121.06463	1.0
121.10131	3.9
122.07245	1.1
123.08034	1.8
123.11705	1.3
131.08528	2.2
133.10107	1.9
135.08046	5.6
135.11656	2.1
137.05911	0.8
137.09601	10.5
137.13206	0.7
139.07527	2.2
143.08545	0.6
145.10123	2.4
147.11646	0.9
148.94441	0.5
149.09592	14.0
149.13235	0.7
151.07544	1.1
151.14774	0.6
159.08020	1.2
159.11667	2.8
160.08826	0.7
161.09583	1.6
161.13266	0.6
162.06696	1.4
163.07549	0.8
163.09772	0.6
163.11156	20.3
165.09090	100.0
166.09439	2.0
171.11725	0.9
172.08804	0.6
173.09660	2.3
173.13240	2.0
174.10434	0.6
175.07504	0.7
175.11171	6.5
176.08340	1.3
177.09087	12.9
177.12654	2.4
179.10645	1.4
186.10419	1.2
187.11168	3.0
187.14812	0.9
189.09079	1.1
189.12744	3.1
190.09888	1.8
191.10649	11.0
191.14206	0.6
201.12659	2.5
203.10670	2.5
203.14272	1.1
204.11476	1.0
205.08611	1.8
205.12207	10.3
215.14275	1.9
219.13782	4.7
223.09641	2.5
229.15932	0.9
233.15327	2.1
247.16931	1.9
261.18408	0.8
270.75305	0.5
275.20010	1.6
289.21558	1.2
303.23230	2.0
317.24829	0.9
325.17996	2.5
343.18924	5.0
344.19547	0.7
345.27881	1.0
359.29407	1.0
361.20016	1.7
373.31152	1.2
393.24176	0.6
401.33984	2.3
411.36218	2.7
429.37222	65.6
430.37796	3.9
432.96967	0.6
443.19791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.372
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.23600	0.5
55.05501	2.8
55.47437	0.5
55.64096	0.5
57.07068	15.0
62.86690	0.6
66.48145	0.5
67.05497	4.0
69.07056	6.2
70.84414	1.0
70.84817	1.0
71.08621	11.4
79.05470	1.4
81.07050	7.1
83.04940	0.8
83.08578	2.7
85.10170	5.7
91.05454	2.1
93.07040	2.8
95.04903	0.6
95.08594	7.7
97.10145	1.4
97.55914	0.6
102.27737	0.7
105.06995	3.1
107.08582	5.2
109.06493	0.8
109.10149	5.9
111.04430	1.2
111.08104	0.8
111.11668	1.2
117.07022	0.7
119.08567	3.8
121.06464	2.0
121.10129	3.8
122.07223	1.0
123.08021	1.4
123.11690	1.0
131.08551	2.7
133.10091	2.9
135.08031	5.0
135.11674	2.2
136.08821	0.7
137.09595	10.5
137.13254	0.6
139.07478	2.0
143.08682	0.6
145.10091	2.6
147.11656	1.1
149.09584	13.1
151.07510	1.8
151.11189	0.7
157.10132	0.7
159.08017	1.8
159.11607	3.0
160.08810	1.0
161.09605	1.2
162.06662	0.9
163.11160	23.0
164.08287	1.9
164.11508	0.7
165.09085	100.0
165.41444	0.6
166.09407	2.7
171.11687	0.8
173.09552	2.5
173.13190	2.3
174.10272	0.7
175.07623	0.8
175.11145	6.1
176.08308	1.4
177.09084	12.2
177.12659	2.8
179.10620	1.6
187.11124	4.2
187.14709	0.7
188.11859	0.8
189.09012	1.0
189.12712	1.8
190.09874	0.8
191.10640	10.4
191.14391	0.8
200.11931	0.7
201.12700	2.6
203.10616	2.5
203.14384	0.7
204.11455	1.0
205.06700	0.6
205.08510	3.1
205.12199	11.5
215.14282	2.1
219.13708	5.9
223.09618	2.7
224.09940	0.6
233.15282	2.8
247.16943	1.3
261.18466	0.8
275.19968	1.2
289.21588	1.3
303.23212	1.9
317.24579	0.9
325.18057	2.7
331.26129	0.8
343.18994	7.5
345.27835	1.4
361.20132	2.2
362.20172	0.7
373.30966	1.4
375.23291	0.9
387.32129	0.7
391.94449	0.6
401.34067	2.4
411.36325	1.3
429.37222	53.5
430.37766	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	429.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.0
55.05488	2.8
56.09603	1.5
56.96550	2.0
56.98570	1.4
57.03445	1.9
67.05493	4.3
68.83060	1.3
69.03407	5.6
69.07057	17.1
70.06588	19.2
71.79146	2.5
72.08135	6.9
72.60136	1.5
74.06068	4.4
79.05473	3.5
81.03418	8.9
81.07027	3.5
81.22681	1.5
83.01348	2.2
84.04482	3.1
84.08128	4.9
85.02901	9.0
85.06520	4.3
86.06062	2.0
86.09679	13.4
89.58414	1.6
91.05447	5.8
93.07015	6.0
95.04951	5.9
95.08588	7.1
96.04491	2.4
96.08125	1.9
97.02860	8.9
98.97571	8.0
99.04443	3.5
103.05475	1.9
105.07034	8.6
107.04944	26.6
107.08586	8.1
109.02853	12.2
109.06502	3.9
109.10098	2.1
110.06022	3.4
114.09146	1.8
116.07054	5.4
116.98598	5.0
119.04919	5.6
119.08590	2.6
120.08100	2.7
121.02853	4.0
121.06495	10.3
121.10124	5.6
123.04350	3.0
127.03893	5.9
129.10207	1.6
130.08636	22.3
131.04909	5.0
131.08913	4.0
133.06456	2.4
133.10126	8.0
134.99605	3.0
135.04396	19.1
135.08006	3.4
135.11670	3.3
137.02356	2.4
137.05934	5.0
137.09627	3.0
138.05487	54.4
139.03860	2.4
145.02809	2.2
145.04887	2.7
145.06493	2.0
145.10126	3.2
147.04378	12.6
147.09143	3.0
149.05939	3.7
149.09508	2.9
150.07716	8.1
151.03871	5.7
153.05493	2.2
155.56891	1.8
158.99686	2.7
159.04417	1.9
159.08047	1.9
159.11739	2.0
161.05901	2.5
163.03879	5.6
163.08659	4.2
163.11179	7.5
165.01834	5.8
167.06972	2.1
168.53476	1.6
173.09366	3.2
175.03836	4.2
175.08655	5.3
175.11214	2.7
177.00522	3.4
177.01843	6.7
177.05475	10.3
177.09007	1.9
181.04956	2.2
183.02881	5.9
187.03813	1.7
191.06926	1.9
195.02864	33.2
201.05576	2.5
201.08737	2.2
203.03325	9.4
205.08545	19.1
207.02821	3.3
207.06526	1.9
215.03326	1.9
217.11946	3.4
219.10139	2.6
221.04378	7.0
223.09650	21.5
231.02881	25.8
243.02905	4.8
245.04597	3.0
249.03859	16.3
249.10995	1.9
253.04953	1.8
255.02652	1.7
261.03876	4.4
265.12241	2.5
267.13489	1.8
273.03934	11.3
283.12799	2.4
285.07516	4.5
291.04919	12.0
297.07541	28.6
298.07718	2.1
300.10556	3.2
301.14337	2.3
307.16779	4.7
307.61243	2.0
309.03662	2.9
325.17886	14.7
327.04654	1.8
337.17984	3.7
340.14709	2.6
343.19009	45.9
351.04755	2.7
351.08624	32.6
352.08762	3.9
359.02637	2.6
361.20026	17.4
369.15436	2.3
375.23032	3.9
381.09689	10.7
393.09525	7.3
393.23959	3.3
411.10550	9.7
411.25156	6.5
429.11862	3.4
429.18762	100.0
429.26285	6.7
430.19299	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	428.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68789	0.3
53.03934	0.5
55.01855	0.7
55.05509	0.5
56.23133	0.3
57.03407	0.7
57.28536	0.3
58.06581	1.0
58.95036	0.3
60.08153	9.8
64.79941	0.3
67.05478	0.4
69.03426	1.6
69.03751	0.3
69.07051	0.4
69.14991	0.3
70.06572	2.6
71.78260	0.4
72.08140	2.3
73.02904	2.0
78.25831	0.4
79.05490	0.6
79.27634	0.3
81.03405	3.0
81.07047	0.4
84.04458	0.5
84.08120	1.3
85.02887	3.3
86.09708	0.5
87.04443	0.5
88.03973	0.3
89.03889	1.6
90.09143	0.8
91.05439	0.9
95.04923	0.5
97.02874	1.3
99.04436	1.0
102.19779	0.4
104.10725	31.0
105.07027	0.7
105.11060	0.5
109.02849	2.5
111.04414	0.4
112.07609	0.3
114.09160	0.6
116.07076	0.6
117.03350	3.1
119.04939	1.3
121.02881	0.7
121.06458	1.0
122.03606	0.3
124.03857	0.3
124.79778	0.3
125.05949	0.4
127.03888	1.1
130.08629	4.1
131.04904	0.6
131.09023	0.7
133.02768	0.5
135.04391	9.5
136.03865	1.4
136.07541	0.3
137.04259	0.8
137.05954	5.7
139.03838	0.4
145.02823	6.9
147.04372	4.1
147.08052	0.3
149.05962	0.6
150.07719	1.9
151.03925	0.6
151.07602	0.7
153.05421	0.7
154.04935	0.7
161.05954	0.8
163.03876	50.2
164.04198	0.9
165.01733	0.3
165.05446	0.6
167.07019	0.3
171.04362	0.3
177.01779	0.6
177.05469	1.1
179.07051	0.4
181.04948	0.8
183.02946	0.5
191.07050	0.4
192.06335	0.3
195.02852	3.1
203.03358	1.0
203.07089	0.5
207.06477	0.4
219.10115	0.4
221.04465	0.7
221.08054	0.9
230.99713	0.3
231.02864	2.0
233.07941	0.5
234.07570	1.1
243.02956	0.4
249.03839	1.5
262.52963	0.3
266.13837	0.4
273.03854	1.0
278.08478	0.3
291.05020	0.8
296.11868	0.7
297.07532	1.9
298.08963	0.4
299.09546	0.6
307.08148	1.8
343.19214	0.4
351.08722	2.2
359.02716	0.6
381.09839	0.9
393.09613	0.7
396.12793	0.3
411.10614	0.7
428.19089	100.0
429.13297	0.5
429.19473	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	427.393
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05503	17.7
57.07061	10.5
67.05497	32.2
69.07059	70.4
71.71346	5.9
79.05486	11.8
81.07048	100.0
83.08597	19.5
91.05478	8.3
93.07027	39.7
95.08595	94.3
97.10148	11.8
105.07008	22.3
107.08596	39.5
109.10151	67.4
111.11732	6.1
117.06960	3.3
119.08535	18.0
121.10120	34.8
122.92477	3.1
123.11691	47.5
133.10129	22.1
135.11650	29.4
135.36865	3.4
137.13255	30.6
145.10107	4.1
147.11641	10.2
149.13248	29.1
151.14851	4.6
159.11667	5.4
161.13245	10.7
163.14835	8.9
163.91002	3.3
165.05487	23.9
165.09125	4.9
175.14798	9.3
177.09134	7.2
177.16400	16.9
189.16397	8.0
191.17958	6.6
203.17975	12.7
205.19543	4.1
215.17857	4.7
217.19531	8.5
219.10130	26.7
221.11713	8.5
229.19524	3.6
231.20869	3.7
237.11183	37.8
249.22253	3.6
287.16455	28.9
343.22440	4.4
359.18076	4.2
359.22226	24.4
375.21097	3.8
409.38205	9.8
427.29260	4.7
427.39453	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	427.3931
Annotation	Camelliol C
Peak:m/z	Relative Intensity
53.03933	3.8
54.83281	1.9
55.05502	21.3
57.07059	8.2
64.92162	2.0
67.05501	38.0
69.07059	43.0
70.14403	8.0
70.14817	4.8
71.04974	11.8
71.08620	3.0
79.05475	17.1
81.07047	97.2
83.08599	19.9
89.28160	1.9
91.05470	11.1
93.06485	3.7
93.07027	41.4
95.08594	100.0
97.10161	9.7
98.20730	2.4
99.08087	3.7
105.07013	21.5
107.08581	59.3
109.10142	91.6
110.10471	3.3
111.11694	7.5
119.08562	22.6
121.10133	46.8
123.11696	54.7
123.58243	2.1
127.11161	19.7
131.08618	2.9
133.10103	15.8
134.10493	2.4
135.11670	38.6
136.11989	2.7
137.13239	27.3
140.13857	2.3
145.10097	5.3
147.11687	22.8
149.13246	45.2
151.14796	7.9
153.12692	10.2
159.11636	7.5
161.13245	14.7
163.14825	23.8
165.05399	2.1
165.09088	3.6
165.16451	3.0
173.13220	4.0
175.14815	12.7
175.52565	2.0
177.16354	24.1
178.16805	2.1
187.14912	2.2
189.16345	9.8
191.17941	16.6
203.17911	10.4
205.19507	6.1
211.20486	4.3
217.19530	15.1
219.10199	4.4
219.21005	4.0
229.19476	2.3
231.21030	16.0
237.11107	3.1
242.90173	2.3
245.22705	3.2
246.72485	2.6
249.22101	3.8
259.24207	9.2
261.25662	2.4
273.25839	3.0
277.25458	3.0
285.25684	3.0
287.16394	3.9
287.27249	6.6
289.25345	2.4
341.32022	6.0
345.31244	3.1
347.25809	2.1
353.90659	2.2
359.21826	2.9
409.38306	9.6
427.39380	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.393
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03926	3.8
53.94700	3.6
55.05486	18.7
57.07054	15.5
67.05491	30.7
69.07057	67.6
71.08604	7.2
79.05492	20.0
81.06598	5.9
81.07046	89.2
83.08601	32.7
85.06548	5.6
85.10175	4.9
86.77259	3.7
91.05463	17.1
93.07038	38.5
95.04971	5.7
95.07990	6.5
95.08588	100.0
97.10137	13.6
105.07025	30.7
107.08577	58.4
109.10145	64.3
111.11700	7.6
119.08557	45.3
121.10123	40.9
123.11687	35.7
131.08528	8.7
133.10106	30.3
135.11687	31.0
137.09619	6.0
137.13210	23.8
139.11227	4.6
145.10100	21.0
147.11658	27.5
149.09615	4.4
149.13211	27.2
151.14825	5.3
153.12677	4.5
157.10065	7.5
159.11681	19.1
161.13245	24.0
163.07573	4.5
163.11301	4.1
163.14780	16.6
165.09088	38.4
173.13179	20.8
175.14786	17.2
176.08220	4.0
177.16385	6.8
179.14418	10.8
185.13275	4.3
187.14825	18.9
189.16350	16.9
191.17899	14.6
201.16362	13.0
203.17957	8.6
205.12213	7.3
205.19452	4.0
213.16414	6.6
215.17924	22.9
217.19463	15.5
219.10023	5.6
224.04980	4.7
229.19560	27.4
231.21022	5.8
241.19460	7.5
242.77173	4.8
257.22586	5.1
272.43469	4.6
285.25726	4.2
287.16412	5.7
324.65247	4.3
353.31772	7.5
409.33374	6.0
409.38290	91.6
410.38635	5.5
427.19360	7.5
427.35355	47.7
427.39462	50.0
428.35233	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	427.3929
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03936	1.7
55.05501	17.3
57.07055	6.3
62.54284	1.4
67.05495	35.0
67.87132	1.3
69.03422	1.8
69.07056	58.7
70.14031	7.0
71.04970	3.3
71.08611	1.7
79.05061	2.2
79.05477	17.8
81.07043	99.0
82.07363	1.7
83.08601	20.9
85.06506	2.3
91.05462	8.6
93.07030	37.3
95.04950	2.6
95.08591	100.0
96.08912	1.7
97.06488	2.5
97.10162	15.4
98.20775	2.8
98.83381	1.4
101.23119	1.4
105.07033	18.2
107.08572	45.2
109.10138	65.4
111.08004	2.2
111.11702	26.3
111.12437	1.4
119.08562	16.2
121.10124	30.5
122.10437	1.4
123.08075	1.7
123.11686	38.3
125.09609	1.5
125.13186	1.7
127.11163	2.5
128.45209	1.3
131.08531	3.5
133.10103	17.1
135.11674	26.8
135.12651	2.9
137.09608	2.2
137.13240	19.4
139.11151	2.1
145.10097	6.7
147.11653	12.7
149.13225	28.8
151.11124	4.4
151.14795	6.5
159.11664	6.6
161.13243	11.0
163.14789	16.9
165.09082	2.1
165.12700	2.1
165.16399	3.1
167.14342	2.2
173.13251	4.5
175.14824	8.2
177.16386	13.7
179.17952	4.8
187.14764	2.9
189.16357	8.7
191.17929	9.0
193.19473	1.8
195.17398	4.2
201.16344	2.2
203.12856	1.6
203.17848	8.5
205.19495	5.6
207.17294	2.7
215.17915	2.2
217.19432	8.6
219.10075	1.7
219.21135	3.0
229.19371	2.2
231.21092	6.4
233.22644	3.4
235.20607	3.0
237.11198	1.6
245.22603	2.6
259.24216	4.3
261.25885	1.8
271.24142	1.8
273.25809	2.5
277.25366	2.4
285.25781	3.6
291.26862	1.8
299.27304	3.4
317.28317	2.6
327.30344	4.6
331.29886	1.6
345.31384	5.1
359.21909	1.6
409.38174	22.3
427.39310	70.7
428.39670	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	427.3566
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
51.61289	0.6
53.03939	0.9
55.05505	4.0
57.07055	2.1
63.68384	0.6
65.03936	1.0
67.05494	6.4
69.03403	1.1
69.07058	8.1
71.04961	0.8
71.08608	0.8
71.79765	1.0
79.05478	5.2
81.07045	14.2
83.04972	1.5
83.08603	3.6
85.06532	1.3
91.05476	4.9
93.07026	12.9
94.07328	0.6
95.04929	1.7
95.07983	1.4
95.08593	24.6
97.06521	1.8
97.10137	2.1
105.07015	11.0
106.76031	0.6
107.08574	22.0
108.08897	0.8
109.06516	2.6
109.10133	13.9
111.08050	1.5
111.11723	0.8
117.07008	1.5
119.08569	17.0
121.06535	1.0
121.10130	18.0
123.08041	3.6
123.11686	5.1
125.09621	0.9
129.07001	0.8
131.08545	4.6
133.10104	13.1
134.10420	1.1
135.08047	2.3
135.11671	15.0
137.09662	1.2
137.13239	1.7
143.08556	1.6
145.10109	8.0
147.11649	12.8
149.09607	1.3
149.13248	7.9
151.11171	0.9
151.14735	0.7
157.10097	1.5
159.11665	6.7
161.13240	5.6
163.14795	8.0
165.05505	0.8
165.09120	1.9
165.12770	1.1
167.10759	0.7
171.11743	1.8
173.13206	3.8
175.11140	0.7
175.14821	5.8
177.12764	0.7
177.16399	6.4
179.14320	1.0
181.12189	0.9
183.11668	1.1
185.13252	2.7
187.14786	11.7
188.15108	0.8
189.16365	16.9
190.16725	1.2
191.14287	0.8
191.17934	3.6
195.13762	1.1
199.14824	1.9
201.16359	5.0
203.17984	5.8
204.18190	0.9
205.15863	27.2
206.16190	0.7
207.17406	15.6
211.14534	0.8
213.16339	1.4
215.17931	4.0
217.19487	2.9
219.10295	1.0
219.17480	2.8
223.16934	0.8
227.17961	1.2
229.19530	1.9
235.20459	0.9
237.11206	1.6
241.12314	0.7
241.19481	1.7
245.22665	0.7
255.21103	2.8
263.60593	0.7
269.22610	2.1
271.24329	0.8
287.16388	1.0
291.23120	0.8
324.32513	4.4
331.26343	4.9
357.27856	2.2
358.21896	0.7
391.33432	1.4
409.29938	0.8
409.34949	7.0
427.35690	100.0
428.36078	5.5
428.40933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
51.52103	0.6
55.05502	4.6
57.07066	1.8
59.04970	0.7
67.05492	6.7
69.03403	0.9
69.07056	8.1
69.44853	0.9
69.45257	6.7
79.05482	5.8
81.06588	1.2
81.07043	16.3
83.04971	0.7
83.08601	3.7
85.06523	3.0
91.05468	5.3
93.07031	13.8
94.07380	0.8
95.04947	1.6
95.08593	26.2
96.08905	0.7
97.06505	1.2
97.10163	2.1
99.08080	1.4
105.07008	12.7
106.73035	0.7
107.08577	24.7
109.06525	2.0
109.10139	15.1
109.30439	0.7
111.08047	0.9
113.09606	0.8
117.07013	1.7
119.08556	16.5
121.06474	1.2
121.10127	18.9
121.10958	1.2
123.08060	3.7
123.11676	5.7
125.09621	1.5
127.11188	0.9
131.08554	6.9
133.10109	12.7
135.08069	1.7
135.11671	16.0
136.12053	0.9
137.09605	1.1
137.13252	2.0
139.11189	0.9
143.08549	2.0
145.10106	9.1
147.11670	11.9
149.09567	2.1
149.13239	9.6
151.11191	2.0
153.09135	1.0
157.10031	3.0
159.11703	8.1
160.12044	0.6
161.09473	0.7
161.13200	7.1
163.11101	1.0
163.14812	8.5
165.05473	1.2
165.09131	1.4
171.11714	1.8
173.13219	5.2
175.11237	0.8
175.14836	7.4
177.12770	1.2
177.16360	9.0
185.13249	2.4
187.14772	11.7
188.15100	0.9
189.12811	1.0
189.16360	19.0
191.14305	1.4
191.17924	7.3
193.15892	0.7
199.14803	2.4
201.16400	8.2
203.14445	1.1
203.17987	5.6
205.15862	27.3
207.17426	15.7
211.14781	1.2
213.16389	2.6
215.17967	4.2
216.18425	0.8
217.15752	1.0
217.19394	3.8
219.10161	0.9
219.17325	3.9
225.16225	0.7
227.18060	0.7
228.18655	0.9
229.19499	2.9
231.17374	0.9
231.21086	1.1
233.18959	0.7
235.20436	0.8
237.11201	1.1
239.18040	0.9
241.19435	1.3
243.21147	1.1
247.20552	0.8
255.21115	2.8
269.22641	2.1
287.16199	1.1
287.23834	1.1
331.26346	5.7
357.27914	2.1
365.86411	0.7
391.33401	2.4
409.30209	1.2
409.34949	10.6
427.35718	100.0
428.36298	4.6
432.02692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.2
57.07064	9.8
65.03929	1.4
67.05499	20.8
69.07057	18.8
69.55153	3.8
69.55573	6.8
71.04993	1.6
71.08603	2.6
79.05479	13.5
79.30380	1.3
81.03423	1.2
81.07046	75.2
83.04972	2.4
83.08607	10.0
85.06557	1.5
91.05460	9.7
93.07030	30.4
95.04949	2.3
95.08592	100.0
96.08920	1.6
97.02847	1.2
97.06518	2.9
97.10138	3.6
99.39761	1.3
105.07019	22.4
107.08579	44.1
109.06531	3.1
109.10139	41.7
111.08077	1.2
111.11728	2.4
117.07008	3.7
119.08559	21.1
121.10124	29.7
123.08077	2.3
123.11690	28.1
125.09633	1.7
131.08545	7.8
133.10104	15.9
135.08032	1.6
135.11667	42.7
137.09641	3.8
137.13239	47.2
137.14302	2.5
139.11180	1.1
142.77982	1.3
143.08560	3.0
143.14844	1.1
145.10086	11.0
147.08118	1.3
147.11664	13.4
149.09695	2.0
149.13232	16.9
151.11183	5.7
151.14847	2.8
155.08521	1.2
157.10121	5.1
158.10902	1.4
159.11638	10.9
161.13222	8.3
163.11159	2.5
163.14774	13.3
165.05467	3.4
165.09116	2.0
171.11716	5.4
173.09520	1.5
173.13251	7.8
175.14758	6.0
177.12766	1.9
177.16338	8.9
178.69450	1.0
179.17957	5.4
185.13252	3.6
187.14734	8.2
189.12720	2.6
189.16327	5.5
191.17924	4.2
193.15903	3.4
193.19531	1.4
197.13260	1.9
199.14859	4.9
201.16376	7.4
203.14351	2.0
203.17989	3.7
205.15887	3.2
205.19449	2.2
207.17447	1.5
211.14819	1.3
213.16319	7.2
215.17865	11.2
215.19479	1.1
217.15837	1.9
217.19507	5.5
219.10225	4.1
219.17497	1.7
219.21111	2.7
227.17957	1.9
229.19621	1.3
231.17419	3.0
231.21144	2.3
233.19028	1.4
236.38713	1.2
237.11246	4.3
241.19350	5.9
243.21161	4.0
255.21022	6.1
257.22623	1.4
259.20517	2.4
261.17630	1.5
277.21909	1.3
286.55310	1.2
287.16440	3.6
359.22137	3.5
363.72031	1.2
365.32001	4.3
381.35431	1.5
391.33630	2.8
393.35095	12.3
409.29456	1.2
409.34695	19.4
427.30768	1.8
427.35760	45.4
428.36234	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.7
56.36586	1.7
57.07066	8.6
58.66550	1.7
64.57892	1.8
65.03953	2.1
65.99547	1.6
67.05495	38.4
69.07058	31.3
69.79596	5.7
69.80024	8.5
70.07388	2.6
71.05001	3.1
71.08616	2.0
79.05486	21.1
81.07046	70.6
82.07378	4.0
83.04981	2.1
83.08604	15.6
85.06534	1.8
91.05463	23.5
93.07031	56.3
94.07385	2.5
95.04991	5.1
95.08594	100.0
97.06532	4.6
97.10173	6.0
105.07019	52.6
105.07695	2.6
107.08577	77.3
108.08936	4.6
109.06509	4.1
109.10145	69.9
110.10515	4.3
111.08094	7.0
117.07020	8.4
119.08569	69.3
121.06504	2.5
121.10125	72.4
122.10454	2.0
123.08086	5.3
123.11703	32.5
124.12050	3.4
125.09632	3.9
129.07039	3.3
131.08568	22.3
131.25581	1.7
133.10112	47.3
134.10516	2.1
135.08078	5.5
135.11681	51.4
136.12001	2.4
137.09618	4.0
137.13225	8.2
139.11203	2.5
143.08556	8.3
144.09251	2.0
145.10121	31.8
147.11671	39.6
147.12827	2.3
149.09639	6.5
149.13240	28.5
151.07591	3.5
151.11179	4.4
151.14783	2.7
157.10066	11.2
159.11681	28.6
161.13237	36.4
161.14491	2.4
163.11200	4.8
163.14819	30.3
165.05489	4.9
165.12746	2.3
165.16425	4.4
169.10202	2.6
171.11653	11.1
172.12445	1.8
173.09625	2.6
173.13242	19.0
174.13647	1.9
175.11223	3.8
175.14803	27.8
177.12801	7.9
177.16371	30.4
179.14354	9.5
183.11703	1.9
185.13306	7.9
187.11227	2.1
187.14807	33.8
189.09229	2.4
189.12770	3.2
189.16359	38.0
190.16763	2.2
191.14291	3.9
191.17938	22.1
193.15868	2.0
195.13831	3.1
196.08076	1.7
197.13298	2.3
199.14874	7.4
201.16359	24.1
203.14395	4.2
203.17929	57.8
204.18340	3.2
205.15866	20.9
205.19617	4.4
207.17534	6.1
213.16328	10.4
215.14307	2.1
215.18019	7.1
216.18393	2.4
217.15952	4.7
217.19554	6.4
219.17450	8.4
223.17009	7.8
225.16458	2.5
227.18013	8.0
229.19450	8.6
231.17575	5.0
231.21100	7.0
233.19154	2.6
237.11322	6.4
239.18050	1.9
241.19661	4.8
243.21214	5.1
245.18994	5.4
247.20641	2.4
248.90855	1.9
249.18594	6.7
255.21112	5.1
257.19193	2.5
257.22675	4.0
259.20700	2.2
259.24405	2.2
261.18332	1.8
261.22156	2.1
263.20093	13.7
269.22784	3.2
271.24384	2.8
273.22391	1.7
275.20200	3.5
277.21869	3.9
287.16483	5.1
289.21661	2.5
308.99997	2.1
309.25851	2.5
324.85373	1.8
359.22226	4.2
391.33890	9.2
397.34509	2.8
409.30078	3.0
409.34772	42.4
410.34937	3.3
427.35837	87.6
428.36334	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	427.3567
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05510	11.6
57.03436	2.3
57.07071	7.1
65.03949	2.7
67.05499	25.8
69.07058	29.2
69.51256	23.6
71.05003	3.0
71.08608	3.2
79.05466	13.8
81.07044	60.9
83.04971	2.2
83.08607	14.2
87.04445	3.0
90.13293	2.4
91.05473	24.0
93.07030	46.3
95.04959	5.3
95.08598	93.1
96.08946	3.3
97.06503	3.4
97.10177	4.9
105.07013	46.3
105.07699	2.9
107.08581	70.4
109.06523	3.7
109.10140	56.1
111.08077	5.4
111.11708	2.4
117.07049	6.5
119.08566	60.7
120.68627	2.2
121.10133	60.4
122.10480	2.6
122.11316	2.3
123.08091	8.9
123.11678	26.6
123.12332	2.1
125.09673	3.7
129.36243	2.1
130.29123	2.1
131.08553	16.3
133.10126	60.1
135.08066	8.6
135.11673	42.4
137.09607	5.6
137.13232	15.2
143.08571	5.6
143.96883	2.5
145.10100	27.8
147.11676	46.9
148.11996	2.7
149.09645	4.0
149.13246	22.7
151.11227	4.9
153.09169	2.4
157.10135	8.8
159.11665	21.5
161.13252	33.6
163.11107	5.3
163.14804	19.6
165.05501	2.6
165.16388	4.4
171.11760	9.4
173.13222	19.6
175.11108	2.6
175.14801	26.5
177.12856	2.9
177.16370	23.3
179.14319	5.0
183.11809	2.9
185.13301	9.2
187.14813	21.6
189.16368	62.7
189.17969	3.5
191.14354	3.6
191.17917	15.8
193.15990	3.8
195.13982	2.9
197.13136	3.0
199.14893	7.5
201.16339	23.0
203.17929	52.8
205.15814	11.2
205.19557	5.5
207.17400	10.8
211.14777	3.1
213.16440	8.7
215.17978	6.7
217.19606	8.2
219.17429	5.1
223.16960	5.3
225.16539	2.8
227.17995	9.6
229.19592	8.8
231.17470	4.1
231.21167	8.1
237.11317	4.9
239.17911	3.0
241.19672	6.2
243.20998	3.2
245.19090	9.2
245.22708	3.2
253.19565	3.9
255.21169	3.1
257.19110	3.0
257.22672	5.4
259.20737	4.7
259.24142	4.4
261.48770	2.1
263.20068	26.6
271.24280	5.1
277.21658	5.5
285.22101	3.2
351.30627	2.6
359.22052	2.9
369.31616	7.9
381.31491	3.8
391.33566	10.7
409.34720	37.9
427.19284	2.7
427.35794	100.0
428.36078	3.0
450.76941	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.05498	10.1
57.07058	5.4
65.03924	1.4
65.24451	1.2
67.05497	17.1
67.43068	1.3
69.03421	1.4
69.07056	25.0
70.89488	4.2
71.04951	1.6
71.08602	1.8
73.06554	2.0
74.95588	1.3
79.05472	14.3
79.32524	1.2
81.07041	38.0
82.74694	1.3
83.04975	3.2
83.08612	9.6
85.06529	3.1
86.09694	100.0
87.10013	2.2
90.03194	1.4
91.05472	16.7
93.07025	39.7
95.04942	3.0
95.08595	69.7
96.08880	1.7
97.06496	1.6
97.10155	4.3
98.21353	1.3
99.08071	1.6
105.07011	34.8
106.05622	1.4
107.08578	50.2
107.09320	2.4
109.06496	4.6
109.10141	38.5
111.08046	3.9
111.11703	2.0
117.06968	3.7
119.08568	45.0
120.23114	1.2
121.06530	2.4
121.10127	48.8
122.10466	1.4
123.08036	6.2
123.11684	15.7
125.09605	2.0
129.06978	1.5
131.08551	13.8
133.10118	34.5
135.08041	5.4
135.11671	24.9
135.12630	2.2
137.09605	3.7
137.13216	2.7
143.08542	6.0
145.10097	20.6
147.11665	30.8
149.09598	6.2
149.13243	21.7
151.11156	2.3
157.10085	5.2
158.10788	1.5
159.11687	18.7
161.13249	22.4
163.11137	3.7
163.14801	29.1
165.05463	2.7
165.12773	2.8
165.16313	2.1
171.11676	5.4
173.13199	11.1
175.14798	29.1
176.15106	1.5
177.12730	2.3
177.16371	23.7
179.14339	1.3
179.18010	1.5
183.11655	1.8
185.13205	3.6
186.14873	72.4
187.14824	19.2
189.12822	2.0
189.16365	26.7
191.14224	4.0
191.17918	23.9
195.11710	1.4
195.13701	2.6
197.13223	1.5
199.14803	5.2
201.16374	14.5
203.17937	68.2
204.18179	1.6
205.15887	19.2
205.19469	3.6
207.17480	3.4
209.15370	1.7
213.16367	5.8
214.14345	30.1
215.14610	1.9
215.17896	6.3
217.15865	2.4
217.19525	4.5
219.10162	1.7
219.17451	11.3
223.16852	8.6
225.16374	1.7
227.17888	2.6
229.19540	6.5
231.17422	4.0
231.21072	4.1
237.11209	2.8
241.19484	4.0
243.21024	1.5
249.18379	2.4
255.20967	3.3
257.22623	4.1
259.20557	4.7
287.16382	3.3
297.25665	1.7
313.25186	1.5
314.19617	11.0
331.27264	1.5
345.69421	1.3
359.22107	2.5
381.35153	2.1
387.96582	1.4
391.33795	8.0
399.28479	11.1
401.50668	1.3
409.34723	30.4
410.34467	1.6
427.35791	42.9
428.36093	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	427.3567
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05490	13.0
57.07067	9.9
59.04988	1.8
59.20128	1.4
67.05499	20.2
68.84896	1.9
69.03412	1.8
69.07052	24.3
70.90296	3.4
71.04971	1.8
71.08607	2.3
77.19773	1.6
79.05465	13.9
81.07041	64.4
83.04959	3.3
83.08607	14.1
85.06513	3.4
86.42735	1.5
91.05452	13.4
93.07030	32.5
95.04947	3.0
95.08591	100.0
97.06515	3.1
97.10158	6.0
99.08067	3.6
105.07014	23.5
107.08578	45.6
107.64005	1.8
109.06499	2.8
109.10139	38.0
110.10486	1.9
111.04451	2.3
111.08048	3.1
111.11726	2.7
117.07008	6.2
119.08553	26.6
121.06495	2.6
121.10122	36.0
121.10957	2.4
123.08064	4.2
123.11691	26.9
125.09603	3.7
127.07536	3.2
129.07086	2.5
131.08505	11.2
133.06488	1.9
133.10101	21.0
135.08112	4.2
135.11662	25.7
137.09598	5.2
137.13225	35.0
143.08560	6.6
145.10112	14.4
147.11667	17.2
149.09583	8.9
149.13232	18.2
151.11176	5.3
151.14828	4.2
154.99280	2.0
157.10117	3.8
159.11688	11.2
161.13222	14.7
163.14735	10.4
165.05461	5.3
169.10114	2.0
171.11707	7.1
173.09590	1.8
173.13170	9.3
174.13855	2.0
175.11224	4.3
175.14775	10.0
177.12762	2.9
177.16399	7.3
179.14325	3.0
179.17912	2.9
184.34306	1.6
185.13239	4.0
187.14815	11.6
189.12784	4.1
189.16380	8.2
191.14297	3.2
191.17841	9.8
199.14830	3.3
201.16370	8.8
203.14334	4.6
203.17929	8.6
205.15906	4.8
205.19452	9.7
207.13902	2.1
211.14792	2.4
213.16380	4.9
215.14381	2.4
215.17969	5.9
217.15913	5.1
217.19513	6.6
219.10223	2.6
219.21014	1.9
221.11980	2.2
221.15396	5.2
221.19034	1.9
227.17950	3.9
229.19435	3.3
231.17323	3.1
231.21111	3.0
233.19000	2.8
235.75018	1.7
237.11214	3.2
241.19463	2.6
243.21100	4.2
245.19128	3.7
255.20998	2.3
285.22266	3.1
326.24130	1.6
351.30392	3.4
359.22028	4.0
369.31650	4.0
391.33322	3.0
393.34882	12.5
409.34576	42.5
427.35681	73.0
428.36050	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48716	1.2
53.03933	1.8
55.05505	12.9
57.07067	5.9
65.03944	1.6
67.05492	26.0
69.03421	1.7
69.07060	20.6
69.64426	6.8
69.64853	6.0
71.04992	1.3
72.04523	2.8
74.68038	1.3
75.71116	1.3
77.03947	1.3
79.05483	19.6
81.07040	49.5
83.04993	4.0
83.08617	12.8
85.06547	3.0
91.05466	20.9
93.07033	45.7
94.30366	1.4
95.04954	3.7
95.08591	100.0
97.06512	3.0
97.10167	4.7
99.08107	2.2
100.98858	1.3
101.05997	1.5
104.76854	1.4
105.07011	50.1
105.07694	3.3
107.08575	74.7
109.02801	1.3
109.06529	3.9
109.10135	64.7
111.08104	4.0
111.11720	3.0
112.07422	1.6
117.07022	5.0
119.08566	58.7
120.08954	1.6
121.06531	2.0
121.10126	61.4
122.10476	1.8
123.08070	5.4
123.11683	19.0
125.09610	2.1
129.07021	1.8
131.08542	16.4
133.10107	42.4
134.73393	1.4
135.08081	4.9
135.11674	33.7
136.12080	1.5
137.09625	4.3
137.13271	6.1
143.08589	3.8
145.10117	24.9
147.11665	38.1
148.11986	1.7
149.09645	5.1
149.13246	26.1
151.11176	2.8
151.14822	2.2
157.10143	5.8
158.10922	3.2
159.11670	23.1
160.12408	1.6
161.09613	2.3
161.13234	38.2
161.14508	2.5
163.11188	4.6
163.14796	24.8
165.12804	2.9
165.16309	2.2
169.10170	2.0
171.11693	5.8
173.13263	10.9
175.11125	3.6
175.14799	42.6
176.15334	1.8
177.12767	3.4
177.16347	26.0
177.17677	1.8
183.11719	3.6
185.13338	5.5
187.14789	20.9
187.16299	1.9
189.16354	24.9
191.14354	5.8
191.17917	19.3
193.15877	1.5
195.13878	1.5
196.36185	1.3
197.13234	2.9
199.14861	4.6
201.16350	14.9
203.12724	1.7
203.14415	4.5
203.17920	70.6
204.18254	2.7
205.15837	32.3
205.17662	1.6
205.19504	3.0
207.13863	2.8
207.17538	5.3
211.14885	2.6
213.16354	7.4
214.16949	1.8
215.17924	7.3
217.15883	3.4
217.19461	6.7
219.17484	6.1
221.15289	1.8
223.16887	13.3
227.17946	4.2
229.19521	4.8
231.17578	4.9
231.21187	4.7
233.19104	2.4
237.11200	2.6
237.18610	2.2
239.17941	2.5
241.19556	2.8
243.21205	3.4
245.19061	3.3
249.18573	2.9
255.21188	4.0
257.22726	1.8
259.20511	1.8
267.21414	1.8
277.21866	2.2
283.16986	1.6
285.25586	2.0
295.24353	5.5
313.25226	15.0
314.62878	1.5
331.26175	11.0
339.23343	1.8
339.26852	1.6
357.27884	1.8
391.33771	10.0
409.34763	16.9
427.35812	45.7
428.24902	1.4
428.36835	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	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01855	1.7
55.05497	13.8
57.07055	7.0
67.05496	29.0
69.07056	23.8
69.89725	10.1
71.04976	2.3
71.08615	2.5
79.05487	13.0
81.03378	2.2
81.07044	79.7
82.07370	1.4
83.04955	2.0
83.08598	8.6
85.06508	2.1
91.05456	14.0
93.07033	36.0
95.04958	3.7
95.08594	100.0
96.08922	2.5
97.06558	1.6
97.10152	3.5
99.09519	1.5
105.07010	23.3
107.08578	47.7
108.08910	1.5
109.06478	2.5
109.10139	45.4
110.10469	2.4
111.08079	2.1
111.11691	2.6
117.06993	3.4
119.08562	24.9
121.06482	2.8
121.09261	2.2
121.10123	31.1
123.07995	1.9
123.11688	29.9
125.09607	1.9
129.07034	2.6
131.08557	6.4
133.10086	15.9
135.08058	1.6
135.11668	49.4
137.09587	4.2
137.13235	44.8
138.13550	1.3
143.08548	4.2
145.10104	11.7
147.11670	15.2
149.09544	2.5
149.13226	17.3
151.11176	6.1
151.14801	2.6
157.10100	6.2
159.11671	11.6
161.13228	10.3
163.11319	1.4
163.14787	16.2
164.15199	2.0
165.12793	1.9
171.11690	5.5
173.13231	10.1
175.11162	3.1
175.14769	8.2
177.09196	2.0
177.12740	2.1
177.16350	13.3
179.17885	4.5
185.13229	4.3
187.14810	7.8
189.12761	2.1
189.16322	9.8
191.17953	5.4
193.15877	2.7
197.13292	2.1
199.14862	4.4
201.16418	7.9
203.14343	3.2
203.17943	6.1
205.15929	3.4
205.19682	1.6
207.17453	2.6
213.16360	7.4
215.17941	13.3
217.15933	1.9
217.19566	4.9
219.10196	3.6
219.20967	2.3
227.18132	2.2
229.19466	1.8
231.17404	2.4
237.11263	3.0
241.19536	5.8
243.21082	5.1
255.21170	4.7
257.19165	1.7
257.22290	1.6
269.22736	2.6
365.32184	2.5
391.33493	5.0
393.35059	10.1
409.30261	1.7
409.34717	19.8
427.29861	3.3
427.35690	57.0
428.36084	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	427.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31823	1.1
53.03938	1.1
55.05505	5.5
57.07064	4.9
57.10542	0.8
59.04996	1.5
59.90302	0.9
67.05499	10.0
69.06731	1.2
69.07062	13.9
69.52483	5.3
69.52912	4.8
70.10477	0.8
71.04971	3.3
71.08638	1.0
79.05478	9.4
81.07045	31.5
83.08590	5.4
85.06519	2.3
86.09701	1.7
87.08076	3.3
91.05462	9.3
93.07030	24.2
95.04944	1.5
95.08590	29.3
97.10134	2.3
105.03422	1.0
105.07008	20.5
107.08580	34.7
109.06503	2.0
109.10143	18.0
111.08053	1.5
117.06995	3.1
119.08559	20.3
121.10129	22.8
123.08060	11.0
123.11691	42.7
124.12017	1.1
125.09595	2.2
129.07034	1.2
131.08549	12.8
133.10112	17.9
135.08006	3.4
135.11668	23.8
137.09601	4.3
137.13234	8.8
139.11101	1.5
143.08527	2.9
144.09305	1.4
145.10092	16.3
147.11670	14.8
149.09634	1.2
149.13237	24.9
151.11176	1.8
151.14804	3.6
153.05319	1.2
157.10110	5.4
159.08043	1.1
159.11684	8.4
161.09599	2.0
161.13240	10.3
163.07457	1.5
163.11151	1.1
163.14798	10.5
165.05467	9.6
165.12738	1.9
167.14322	2.0
169.10112	1.4
171.11691	6.4
173.09567	1.7
173.13229	9.6
175.11279	1.1
175.14824	15.7
177.09081	2.1
177.12582	1.0
177.16319	5.8
179.14409	1.0
183.11700	1.2
185.13258	4.4
186.14929	1.8
187.11166	1.5
187.14786	26.6
188.15094	1.9
189.16365	14.7
191.10567	1.7
191.14247	2.7
191.17929	2.7
193.15833	3.8
197.13135	1.1
199.14806	6.4
201.16364	19.3
203.17946	7.6
205.15839	3.3
207.17444	2.6
209.13338	1.3
211.14813	1.6
213.16330	4.7
215.17946	6.8
217.19571	1.2
219.10161	7.9
219.17317	1.3
221.11681	2.7
225.16356	1.9
227.17892	2.7
229.19481	1.4
233.15276	2.7
237.11172	11.6
241.19440	2.7
243.21053	1.2
247.16904	1.7
253.19557	1.4
255.21037	1.4
287.16339	6.3
308.98022	1.3
327.22824	1.6
337.28793	3.6
339.30432	5.6
343.22705	1.4
351.30368	1.4
359.22192	6.0
363.30380	3.7
365.23328	1.0
369.31552	2.9
381.31522	14.5
383.29288	7.8
385.30875	2.2
391.33463	1.1
409.30911	4.1
409.35303	1.5
427.31958	100.0
428.32446	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	427.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05740	0.6
53.58076	0.8
55.05500	8.1
55.17937	0.7
57.03422	0.8
57.07068	3.5
65.03916	1.0
67.05495	10.4
68.09415	0.6
69.07056	8.7
70.08752	0.6
70.94938	0.6
71.04972	2.3
71.08600	1.0
73.06548	9.2
77.92245	0.6
79.05487	12.8
81.07046	30.0
83.08598	4.7
85.06532	0.7
88.04041	0.6
91.05469	13.5
93.07027	27.3
94.07372	0.8
95.04952	2.2
95.08591	47.4
96.08933	1.7
97.10152	2.1
103.05454	2.4
105.07017	39.4
106.07315	1.0
107.08577	59.9
108.08889	2.0
109.06500	3.1
109.10140	30.5
110.10475	1.3
111.08074	1.6
111.11672	0.9
117.06982	4.1
119.04838	0.7
119.08562	52.8
120.08926	1.5
121.10127	100.0
122.10479	2.3
123.08063	10.1
123.11681	24.5
125.05968	1.0
125.09606	2.8
129.06990	1.4
131.08548	23.0
133.07605	1.9
133.10110	38.5
134.10463	1.7
135.08072	1.6
135.11674	26.3
136.11993	1.5
137.09584	1.5
137.13223	6.7
139.07570	1.0
142.07733	0.8
143.08528	3.4
144.09288	1.3
145.10104	23.7
146.10504	1.0
147.08041	0.9
147.11670	18.3
148.12042	0.8
149.09631	1.3
149.13225	11.5
150.13440	0.7
151.11180	1.3
151.14812	1.9
153.09081	0.8
155.08583	1.1
157.10094	5.1
158.10887	0.8
159.11676	15.4
161.09558	1.2
161.13231	13.3
162.13618	0.8
163.11125	1.2
163.14809	7.4
165.05464	2.7
165.12711	5.3
167.08589	0.9
167.14308	1.7
169.10133	1.6
171.11659	5.5
173.09564	1.3
173.13242	11.8
175.14793	40.3
176.15192	1.9
177.09074	1.1
177.12889	0.8
177.16370	24.2
177.17918	1.3
178.16727	1.0
179.14297	7.9
181.15863	1.4
181.63756	0.9
183.11710	2.1
185.13197	7.8
187.14796	52.4
188.15147	1.8
189.12730	2.0
189.16357	16.8
190.16687	1.0
191.10736	0.9
191.14310	1.7
191.17918	2.3
193.15865	9.9
197.13258	1.8
199.14793	6.7
201.16362	31.1
202.16690	1.7
203.14359	0.9
203.17920	16.2
204.18234	0.9
205.12213	2.3
205.15837	7.4
205.19469	1.9
207.17426	4.5
211.14821	1.4
213.16312	4.7
215.14424	1.1
215.17899	9.9
217.15889	0.9
217.19560	3.8
219.10097	1.7
219.13812	1.3
219.17502	1.5
221.15413	2.3
225.16373	1.4
227.17894	3.0
229.15814	1.3
229.19415	7.1
233.15318	7.1
235.14769	0.8
235.16937	1.1
237.11110	3.5
239.17902	2.4
241.19437	1.9
243.21126	1.5
245.15399	1.6
247.16942	3.9
249.18610	1.3
253.19489	1.9
255.21001	0.8
259.16962	1.1
261.18451	1.5
267.21097	1.2
273.18610	1.0
287.16504	2.6
307.24081	0.9
309.25705	20.7
311.27286	3.8
337.25284	1.6
339.30371	1.3
351.30505	0.9
355.26276	20.8
356.26428	1.5
359.22043	2.7
363.30493	2.5
368.40222	0.8
381.31464	29.7
382.31903	2.0
383.33151	5.2
385.31195	1.5
409.30814	6.0
427.17111	1.4
427.31537	12.5
427.63651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05497	6.4
55.41550	0.7
57.07063	1.8
60.04513	1.1
60.08675	0.6
65.03930	1.5
67.05496	10.9
67.91033	0.6
69.03394	0.6
69.07059	10.7
69.72423	5.2
71.04975	2.2
73.06548	6.5
77.03905	0.5
79.05483	8.1
81.07045	20.8
83.08603	4.1
84.28867	0.6
85.06504	0.9
88.83430	0.6
91.05456	10.6
93.07028	21.4
94.07336	0.8
95.04935	2.2
95.08595	41.4
96.08900	0.7
97.06532	1.1
97.10144	2.9
103.05446	1.4
105.07021	23.6
107.08578	38.1
108.08913	0.8
109.06500	1.9
109.10143	29.2
111.08063	0.7
111.11749	0.8
117.06995	3.2
119.08564	100.0
120.08909	2.9
121.10126	86.6
122.10448	2.0
123.08043	9.8
123.11685	16.2
125.09623	2.6
129.07059	1.9
131.08543	16.2
131.09543	0.9
133.10109	33.4
134.10435	1.3
135.08002	1.3
135.11678	19.4
136.11992	0.8
137.09602	1.8
137.13232	2.8
139.11142	1.0
143.08537	2.9
145.10103	27.5
147.11671	15.1
147.52403	0.7
148.11995	1.1
149.09590	0.9
149.13239	10.1
151.11203	1.4
151.14774	1.4
153.09079	1.8
155.08615	0.9
156.09308	1.0
157.10085	4.4
158.10869	1.2
159.11676	15.7
159.12936	1.0
161.13232	12.5
163.14793	13.7
165.05446	1.6
165.12762	4.0
167.10614	0.7
167.14311	1.0
169.10228	1.6
171.11655	4.9
172.12422	1.1
173.09639	1.1
173.13242	10.5
175.11157	1.3
175.14807	15.3
176.15167	1.2
177.12761	2.9
177.16379	11.5
179.10620	1.1
179.14288	4.5
181.15822	1.4
185.13237	4.5
185.14738	0.6
187.14792	46.9
189.12750	2.7
189.16367	24.8
190.16666	1.3
191.14314	1.9
191.17960	3.9
193.12270	0.6
193.15866	5.9
199.14818	3.8
201.16365	32.3
202.16707	1.4
203.14386	0.9
203.17923	22.6
205.15858	3.5
205.19545	1.6
207.13754	0.8
207.17424	5.2
211.14751	1.3
213.16376	5.6
214.16675	0.8
215.17943	8.3
217.19643	0.8
219.17435	1.6
221.15402	0.7
221.18958	1.2
225.16438	1.1
227.17955	2.6
229.15846	1.4
229.19389	4.2
231.17529	0.8
233.15364	1.5
233.19084	1.0
235.16820	2.2
237.11313	1.6
239.17957	1.8
241.19481	2.0
245.15408	0.7
247.16940	8.7
249.18478	8.0
253.19536	0.9
255.21149	1.0
255.38559	0.7
261.18579	1.2
267.20975	0.7
281.22516	0.8
282.78323	0.7
287.16443	1.0
309.25717	38.4
310.26105	1.9
311.27316	3.0
337.25095	1.9
355.26242	9.4
359.22260	1.7
363.26602	1.1
363.30508	3.0
365.31982	0.8
381.31479	27.6
382.31851	1.6
383.33136	2.1
391.33984	0.8
409.22903	0.8
409.30795	9.4
409.35852	0.8
410.64310	0.8
427.31396	8.3
427.36401	2.5
428.33545	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51014	0.4
55.01870	0.7
55.05509	2.5
56.96551	3.6
57.03415	1.3
60.05643	2.8
61.02909	1.7
64.98768	0.4
69.03429	3.1
70.06583	2.2
70.10963	0.4
70.11585	1.8
70.98109	0.5
72.08145	17.0
73.02904	1.2
73.06446	0.6
74.05534	0.5
75.10198	0.4
80.29618	0.4
81.03407	0.9
84.08121	1.9
84.96016	0.4
85.02383	0.5
85.02892	6.9
86.06045	0.7
86.07172	1.2
86.09693	4.4
87.04450	1.3
87.06364	0.4
87.07949	1.5
87.10013	0.7
88.99143	1.0
89.39205	0.4
91.05472	0.6
93.03384	1.3
94.56210	0.4
95.01315	1.4
96.08112	0.4
97.02880	2.9
97.07634	4.2
98.05425	0.6
98.06039	5.7
98.97558	6.0
99.04450	0.7
100.08737	1.3
107.04936	2.0
109.02855	1.0
110.97579	0.8
112.99144	0.6
113.10743	0.6
114.09156	3.5
114.10275	17.8
115.08697	4.1
116.07098	0.6
116.98617	2.4
119.01873	0.8
119.04921	8.2
121.02840	1.1
121.06464	2.2
123.04407	1.4
127.03893	1.6
128.98589	1.8
130.08629	2.4
130.12149	0.6
130.93263	0.8
131.00171	0.9
131.01938	0.5
131.04857	1.3
131.08549	0.5
131.12904	8.6
131.24268	0.4
132.10197	2.9
133.06474	2.5
134.99655	1.2
136.06158	0.7
140.04814	0.5
140.08188	1.5
141.07002	0.7
143.01898	0.5
145.01666	0.7
145.04994	1.5
145.06439	3.5
146.08105	1.1
146.99655	1.9
147.03284	0.8
147.04379	17.3
149.01193	0.8
149.05923	1.0
156.11330	0.6
157.01735	0.5
157.06508	0.8
157.10814	3.8
158.99657	1.6
159.03244	0.8
159.04417	0.8
159.08005	2.0
160.07523	0.6
160.09662	0.7
161.01387	0.4
161.02846	0.6
161.05923	2.8
162.99043	0.4
163.02711	1.6
163.07530	0.7
165.00682	1.1
165.05486	0.9
169.04381	0.5
169.06483	1.1
170.05203	1.7
170.99625	0.5
171.08034	1.0
173.03008	0.5
173.05986	4.6
175.02679	0.8
175.07439	0.5
177.00708	1.2
177.04124	0.7
177.05560	0.9
181.06474	0.5
185.02811	0.6
185.05856	0.8
187.02673	1.2
187.07535	4.5
188.07115	1.4
189.00699	1.5
189.05470	4.2
190.05782	0.5
190.08591	0.5
190.98625	0.7
196.99393	0.5
197.01198	0.5
197.05890	5.2
199.07549	3.5
200.07025	0.8
201.05534	1.2
205.00169	0.7
205.03732	0.9
207.01796	1.0
209.52357	0.4
213.05414	2.4
215.07001	7.8
217.08578	1.7
217.13316	2.0
218.11769	1.2
219.01720	2.8
219.06500	0.5
220.05910	0.5
220.18094	0.4
221.05067	0.5
225.05438	1.5
227.07079	0.5
227.11784	1.0
230.11743	2.3
235.06332	0.5
237.02768	3.1
241.02023	0.5
241.13232	1.2
242.08160	0.8
242.11847	1.1
243.06523	7.8
245.05080	0.6
247.04919	2.6
247.09073	0.4
254.08133	0.8
257.05127	0.6
259.14404	1.1
260.13181	3.7
261.07458	0.6
264.06860	0.5
264.09656	0.6
265.05966	0.6
265.10172	0.7
272.06583	0.9
272.13766	0.7
277.05560	0.8
278.13983	0.7
279.03790	0.6
284.13647	0.9
293.12976	0.5
295.04123	0.4
295.06921	2.7
295.14450	0.8
296.12805	1.0
302.14835	1.9
307.06958	0.7
307.60068	0.6
308.09613	1.5
309.10199	0.7
314.13876	1.0
319.17651	4.2
326.14966	0.6
331.16376	0.6
332.14990	1.1
337.08102	0.6
337.18683	4.0
338.14883	0.7
344.16156	1.1
349.18668	0.7
350.15897	0.5
355.17117	0.5
356.15958	0.9
367.09039	1.8
367.19278	0.5
368.09344	0.8
374.16916	0.4
385.09348	0.7
391.19693	3.0
403.10736	0.8
409.20798	15.3
410.21280	0.6
427.21814	100.0
428.22171	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	427.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05496	2.0
56.96549	2.0
57.03423	1.4
60.05641	2.6
61.02918	0.9
65.03910	0.5
69.03414	3.5
69.67080	4.0
70.06573	2.4
72.08145	17.0
73.02899	2.0
73.06496	0.7
81.03390	0.7
84.08109	0.5
85.02898	7.1
86.03210	0.5
86.07182	1.0
86.41425	0.4
87.04446	0.5
87.07949	2.0
91.03958	0.6
91.05415	0.7
93.03403	1.3
95.01319	1.4
96.08148	0.4
97.02896	3.1
97.07634	4.7
98.06044	5.1
98.97566	3.8
99.04432	0.5
100.08730	1.0
104.98869	0.4
107.04923	2.5
109.02872	1.0
110.97572	0.6
113.10752	0.7
114.09182	2.3
114.10278	16.7
115.08666	3.9
116.98595	2.3
117.01831	0.9
119.01854	0.7
119.04928	8.5
121.01593	0.7
121.02857	0.8
121.06477	2.3
123.04414	2.4
127.03877	2.2
128.98637	1.3
130.08620	4.6
131.04889	0.8
131.12906	8.0
133.06470	4.0
135.04398	1.0
136.03912	0.9
136.06190	2.9
137.05931	1.2
140.08141	1.2
141.07037	0.6
143.01918	1.0
145.01628	0.8
145.02753	0.4
145.05025	2.1
145.06439	3.6
146.05927	0.9
146.99651	2.1
147.01270	0.6
147.04390	16.6
147.05580	1.0
153.06981	0.5
154.02094	0.5
155.04704	0.9
156.11310	0.6
157.06522	1.0
157.10883	3.4
158.11546	0.5
158.99620	0.5
159.01308	0.5
159.04439	0.4
159.08014	1.7
161.01147	0.6
161.02954	1.1
161.05969	3.1
163.02747	0.6
163.03862	2.6
165.00752	0.7
165.05441	0.7
168.01765	3.5
169.06480	1.1
171.04402	0.8
171.08012	1.8
172.97580	0.7
173.05968	3.9
175.03787	0.7
177.00783	0.9
177.02301	1.6
177.05463	0.8
185.06082	0.5
187.07451	3.9
188.07068	1.7
189.00761	0.5
189.02420	1.0
189.05450	4.0
190.08560	0.7
190.98569	1.3
197.05971	5.3
199.07494	3.0
200.07030	0.8
201.05450	1.6
205.00191	1.6
210.02638	0.6
212.98340	0.5
213.05438	2.6
214.98804	0.5
215.07028	9.6
215.09004	0.9
216.07266	0.5
217.08641	1.4
217.13330	2.4
218.11732	0.7
219.03459	2.9
219.07970	0.6
220.04187	0.9
223.01274	1.4
225.05476	2.2
227.11787	1.1
228.03888	5.3
228.54041	0.8
229.04556	1.3
230.11766	1.8
232.99683	0.7
237.02664	0.6
241.13441	1.4
242.11806	1.8
243.06523	8.6
244.06953	0.5
247.01239	1.0
247.04906	1.0
251.00726	0.6
254.08192	0.7
259.14432	1.4
260.12723	3.7
261.07486	0.6
272.13953	0.7
275.00729	0.6
278.13776	0.6
279.05252	0.7
284.13687	1.0
290.14139	0.5
292.13895	0.9
296.12805	1.8
302.14774	0.9
309.06458	1.7
314.13940	1.1
318.37970	0.5
319.17575	6.8
326.14999	0.7
332.14893	1.4
337.18564	4.2
338.14688	1.0
344.15814	0.9
350.16113	0.8
356.15955	0.8
367.08832	0.7
373.18695	0.9
391.19766	3.1
409.20782	21.0
410.21136	1.1
427.21838	100.0
428.17038	0.5
428.22369	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	427.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.02969	0.5
55.05495	1.8
55.61803	0.5
60.05644	2.5
69.03417	0.5
70.06580	2.2
71.48564	1.0
72.08144	17.6
73.02895	0.5
73.06477	0.9
81.52457	0.4
84.08155	0.5
85.02879	2.5
86.07168	0.8
87.07972	1.3
93.03378	1.6
95.01326	1.4
97.02887	0.5
97.07644	4.0
98.06042	5.6
100.08712	1.2
103.00625	0.6
105.07002	0.5
107.04954	2.0
109.02853	0.5
114.09144	1.9
114.10272	19.4
115.08675	4.5
119.01870	0.5
119.04920	9.1
121.01655	2.0
121.02868	1.0
121.06513	2.1
123.04413	1.6
128.06235	0.5
130.12109	0.5
131.04916	1.1
131.08563	0.5
131.12909	7.9
133.06476	4.3
138.05516	0.5
140.08195	1.5
143.01802	0.5
145.01613	2.0
145.06454	4.0
147.04379	17.2
156.11311	0.7
157.01640	1.0
157.06494	0.9
157.10817	3.5
158.99678	0.5
159.08040	1.4
160.09653	0.6
161.02925	0.9
161.05978	3.0
163.02650	3.4
165.05450	0.9
169.06537	1.5
171.08034	1.7
173.05963	3.7
175.02623	1.0
176.07047	0.7
177.05507	1.1
181.06438	0.7
185.03024	0.7
187.02628	2.7
187.07509	5.0
188.07069	1.6
189.05476	4.2
190.08572	1.1
197.05983	5.2
199.02696	0.8
199.07494	3.4
200.07109	0.8
201.05452	1.3
202.12132	0.4
205.03738	1.2
213.05534	2.4
215.06973	8.3
217.03714	0.7
217.08611	2.0
217.13301	2.8
218.08130	0.6
218.11778	1.1
219.06499	0.8
225.05466	1.7
227.11746	1.2
230.11707	1.5
233.08176	1.1
241.13333	1.4
242.08179	0.9
242.11734	1.3
243.06480	7.3
246.05222	1.3
247.04840	7.3
254.08095	0.5
256.14081	0.5
259.04767	0.6
259.14417	1.3
260.13040	4.3
261.07605	0.5
265.05884	1.7
272.13693	0.7
277.05975	0.6
277.15668	0.6
283.14499	0.5
284.13736	0.6
295.14249	0.8
296.12833	1.4
302.14838	1.2
307.07227	0.6
312.79080	0.4
314.13824	1.4
319.17545	5.6
326.14990	0.9
332.14917	1.3
337.18631	4.4
338.14868	0.7
344.16064	1.2
356.16074	0.7
361.18515	0.5
367.08997	0.9
373.18771	1.2
374.16705	0.6
391.19791	2.6
392.18375	0.7
409.20792	18.2
410.20947	1.1
427.21808	100.0
428.22113	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	427.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.2
57.04530	0.4
67.05498	0.2
69.07037	0.1
70.06569	0.5
70.14553	0.7
72.08166	0.1
81.03403	0.2
81.07043	0.3
82.07349	0.2
84.08128	0.3
85.02879	0.4
85.06519	0.2
91.05468	0.3
94.04051	1.3
95.08572	0.3
97.02813	0.2
108.04340	0.2
108.87473	0.1
109.02871	0.2
112.05127	0.2
112.07549	0.2
114.09144	1.1
115.09500	0.2
116.07086	0.1
119.03585	0.3
121.02845	0.3
123.06654	0.7
124.08407	0.2
127.03914	0.3
130.08614	3.0
133.05075	0.2
135.05373	0.2
137.02330	0.9
139.03853	0.2
146.08101	0.3
148.06119	0.2
150.07722	100.0
151.08153	1.5
152.34395	0.1
163.03844	0.2
195.02869	0.2
209.36757	0.1
223.02409	0.2
282.11874	0.7
287.16232	0.2
292.13904	0.3
295.11447	23.9
296.11673	0.7
427.21564	0.6
454.51880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.92878	0.3
55.01855	0.5
55.05499	4.3
55.53380	0.4
58.02956	0.4
58.96134	0.3
68.05015	1.2
69.03438	1.8
69.65189	3.0
70.06602	0.4
71.04969	0.6
74.39554	0.3
80.04997	1.2
81.03407	3.0
82.06545	0.4
84.08121	2.3
85.02888	1.7
95.01316	4.1
97.02866	2.0
108.04465	4.4
109.02880	2.0
110.06023	0.9
111.04462	0.4
112.07578	6.6
115.47786	0.4
127.03893	0.8
130.08617	100.0
131.08929	1.5
136.03912	98.8
137.04292	1.7
145.04944	0.4
147.04349	0.7
150.07724	0.9
154.04961	31.1
160.89572	0.4
174.55318	0.4
216.09521	0.4
220.60255	0.3
225.89699	0.3
280.08115	4.5
298.09161	44.7
299.09555	1.5
427.17053	16.4
428.17361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	8.3
57.07068	13.6
65.03896	2.3
67.05492	21.6
68.05817	2.9
69.07059	19.3
69.47592	23.5
70.07400	2.9
71.08614	3.1
71.95449	2.1
79.05459	11.3
81.07043	78.8
82.07381	18.9
83.08595	6.2
86.35358	2.3
86.80572	2.1
91.05461	8.0
92.05798	2.9
93.07020	16.3
94.07359	5.2
95.08594	100.0
96.08931	31.9
97.10155	4.6
105.07005	13.8
106.07365	3.5
107.08573	23.7
108.08936	8.3
109.06507	3.7
109.10136	35.8
110.10445	11.7
111.08054	2.7
111.11715	2.6
117.06977	2.8
119.08581	15.0
120.08874	4.7
121.10142	13.7
122.10452	7.3
123.11684	17.7
124.12015	6.8
125.13244	3.4
131.08562	6.5
132.08882	3.6
133.10114	10.0
134.10457	3.2
135.08015	2.2
135.11681	14.7
136.11971	3.9
137.12213	3.9
137.13240	50.5
138.13565	25.7
138.84456	2.3
139.11171	3.2
143.08549	2.3
145.10094	10.0
145.40155	2.2
146.10480	3.5
147.11664	6.2
148.12012	4.6
149.13237	10.3
150.13538	5.7
151.14795	3.4
152.15141	2.3
157.10124	4.0
159.11615	6.0
160.12019	6.9
161.13229	8.7
162.13605	3.9
163.14810	7.3
165.05502	3.7
171.11702	4.0
173.13217	3.5
174.13605	2.7
175.14786	3.6
176.15169	3.1
177.16362	4.0
178.16699	3.4
186.13564	2.9
187.14717	4.7
189.16422	4.9
190.16768	4.0
191.17902	4.2
192.18387	4.7
201.16301	2.6
202.16763	2.2
203.17906	3.4
204.18309	2.8
205.19403	2.1
214.16685	3.5
215.17949	2.4
216.18192	4.4
218.19885	3.3
227.17923	2.8
229.19569	4.9
230.19951	3.3
237.11148	3.5
241.19362	2.5
256.21390	2.6
258.22992	6.9
270.23050	3.1
284.24454	2.5
294.32172	2.1
295.69073	2.0
408.37057	13.5
426.28726	2.7
426.38214	30.3
427.19577	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	426.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.7
57.07055	15.1
60.29079	5.0
67.05492	36.8
68.05830	8.1
69.07058	49.9
70.07371	11.0
71.04984	8.1
71.80273	8.9
79.05466	15.5
81.07043	74.0
82.07367	15.8
83.08602	20.0
85.06529	7.7
87.33037	5.3
89.06054	7.1
91.05441	16.5
93.07039	57.3
94.07349	16.2
95.08592	100.0
96.08948	27.2
97.10164	10.9
97.28411	5.9
104.90906	5.5
105.07010	34.8
106.07359	12.8
107.08562	72.7
108.08915	16.2
109.06551	5.0
109.10149	71.5
110.10467	19.5
111.11700	7.3
112.99946	9.2
114.09161	12.5
116.64192	5.0
119.08553	49.4
120.08909	20.2
121.10116	58.8
122.10458	21.3
123.07964	6.2
123.11666	31.8
124.11993	16.0
127.11202	18.3
128.11526	6.9
131.08542	11.4
133.10097	45.7
134.10432	19.7
134.67336	5.6
135.08093	7.5
135.11679	50.5
136.12013	21.0
137.09633	5.8
137.13228	18.8
138.13608	6.6
139.11157	6.5
145.10106	19.6
147.11745	29.2
148.11984	15.4
149.13219	34.4
150.13551	11.5
159.11649	18.7
160.12070	9.2
161.13277	24.4
162.13536	14.0
163.14795	17.4
164.15126	11.5
165.09055	36.8
173.13286	13.3
174.13562	7.5
175.14798	21.9
176.15215	14.0
177.16348	11.9
187.14780	11.8
188.15154	8.7
189.16368	21.8
190.16704	13.1
191.17929	24.4
192.18279	26.3
192.61961	5.6
200.15219	6.5
201.16379	9.8
202.16731	5.6
203.17944	17.8
204.18266	13.5
205.19574	9.7
206.19940	7.3
215.18047	7.3
216.18166	12.4
217.19420	15.1
218.19864	11.6
219.10193	6.1
221.15262	5.8
229.19470	8.9
230.19846	9.1
230.24782	7.4
231.21123	6.2
237.11140	6.5
247.44827	5.3
258.23016	9.5
396.16635	5.4
408.37033	14.4
409.34637	7.5
426.38419	94.6
426.43692	7.9
426.46661	14.4
427.35974	19.4
429.87051	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	426.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01062	1.3
52.12157	1.2
55.05502	11.2
56.05832	1.9
57.07058	5.8
58.07402	1.9
60.45810	1.3
61.98937	1.6
66.67360	1.5
67.05493	30.2
68.05839	9.2
68.72879	1.2
69.07056	16.3
70.02955	8.5
70.07389	3.3
79.05482	14.7
80.05806	5.5
81.07044	74.0
82.07378	23.7
83.08610	10.2
84.08947	2.9
85.10143	1.5
89.56763	1.3
91.05464	12.6
92.05791	4.0
92.93573	1.4
93.07029	25.1
94.07363	10.9
95.04955	3.1
95.08595	54.2
96.08923	18.9
97.10152	4.1
105.07020	22.3
106.07354	12.0
107.07784	2.9
107.08575	34.6
108.08909	16.5
109.06511	1.7
109.10141	100.0
110.06840	1.6
110.09692	2.1
110.10471	38.6
111.10892	2.2
111.11691	2.0
117.06998	3.1
119.08570	23.2
120.08900	14.6
121.09264	3.7
121.10123	44.6
121.10957	2.6
122.09573	1.9
122.10454	31.5
123.10818	4.6
123.11683	70.2
124.12024	34.0
125.09593	2.0
126.09972	1.4
128.38724	1.3
130.07344	2.5
131.08571	9.6
132.08896	4.6
133.10101	18.6
134.10417	11.4
135.10753	2.6
135.11667	34.7
136.12009	20.3
137.12335	4.5
137.13240	9.3
138.13588	3.4
143.08542	2.4
144.08885	2.4
145.10130	10.9
146.10437	10.6
147.10732	1.5
147.11703	12.8
148.12006	7.3
149.13275	7.0
150.13564	4.5
154.09419	2.3
155.56003	1.4
157.10127	3.0
158.10411	2.7
159.11711	7.3
160.12047	7.7
161.13228	5.6
162.13571	3.6
163.14833	5.2
164.15111	8.3
165.09140	3.1
165.16434	9.8
166.09538	2.6
166.16716	10.1
170.10460	1.6
171.11710	4.8
172.12035	4.0
173.13347	7.8
174.13617	7.1
175.14876	9.5
176.15196	8.8
177.16484	9.5
178.16742	7.9
180.10930	1.7
180.18263	2.0
185.13277	2.2
186.13608	4.1
187.14871	8.2
188.15135	9.0
189.16466	15.2
190.16707	15.3
191.16983	2.5
192.18272	3.1
193.15987	1.6
199.14848	5.3
200.15152	7.7
201.16238	5.3
202.16713	7.9
203.18016	3.3
204.18388	7.2
207.17381	1.4
213.16396	6.3
214.16727	10.3
215.17874	12.3
216.18275	20.4
217.18697	4.8
218.19948	2.5
227.18031	1.4
228.18311	1.9
236.17287	1.8
241.19371	2.4
242.19829	6.7
243.21051	3.6
244.21405	7.2
248.17380	1.9
255.21198	1.8
256.21341	3.8
257.22427	2.8
258.22888	3.0
259.16925	4.2
260.17233	4.9
261.18384	2.2
262.18747	4.6
269.22668	2.1
270.23041	2.9
302.21759	1.6
380.33813	20.8
382.35245	1.4
408.33466	2.4
411.14780	1.6
426.16345	5.5
426.34189	85.1
427.16791	2.1
427.35056	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	426.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20119	1.8
53.03949	2.7
55.01866	13.0
55.05499	5.0
57.03442	3.8
57.07063	11.1
57.39676	2.0
58.95152	1.8
59.05006	3.2
63.16175	1.7
65.04248	1.9
67.05494	7.6
68.05412	1.9
68.99815	1.8
69.03419	11.9
69.07066	12.8
70.02940	7.2
70.06584	14.5
70.10966	11.2
71.04996	5.0
72.04511	26.4
72.08147	5.9
73.02918	11.6
74.02436	3.0
79.05474	3.2
79.29842	1.8
79.63857	2.1
81.03418	25.2
81.07047	3.1
83.04948	9.7
84.04519	3.8
84.08131	5.8
85.02900	16.3
85.06554	6.2
86.09699	9.3
87.04439	2.2
87.08091	3.4
90.05550	46.5
91.05461	3.9
95.04968	11.8
95.08564	2.7
96.08141	3.5
97.02896	17.7
97.06516	2.6
98.02424	16.5
99.04424	6.5
100.03967	7.7
103.07568	2.9
104.07092	2.9
105.07040	2.5
109.02869	34.5
110.07149	2.9
111.04429	2.4
113.05991	7.9
114.09155	9.1
114.10259	2.6
116.03447	27.1
119.04869	3.1
121.02836	5.7
123.04432	3.2
123.08103	2.0
124.03939	3.0
124.07579	30.0
125.05928	2.3
127.03899	20.3
130.08629	15.8
131.07036	3.4
132.06523	10.2
132.10207	4.1
133.10104	2.4
136.03883	12.9
137.06004	2.4
138.05460	3.6
139.03908	4.1
142.08609	20.8
143.08148	3.3
144.08568	2.5
145.04971	8.2
147.04437	3.6
149.05937	2.3
150.07736	39.8
150.08873	4.0
153.05490	2.6
154.05006	4.2
156.10260	2.1
160.09657	10.0
161.06044	3.2
163.03908	8.3
165.05421	1.9
166.08621	5.3
167.07080	3.1
169.05055	1.9
172.09706	3.8
174.11241	7.1
177.05484	2.6
181.05013	4.0
184.09679	44.0
185.09938	1.9
187.10968	1.9
198.07593	4.1
199.06026	9.1
200.10736	2.6
202.10728	100.0
203.11308	5.0
211.09624	9.8
216.08772	4.4
216.76445	2.8
217.07024	4.8
220.11786	25.7
230.10153	18.9
234.09625	10.4
236.99168	2.4
244.11835	2.7
246.11354	2.1
247.46564	2.5
262.12839	22.4
264.12216	2.6
295.11542	12.8
298.09161	5.6
310.12756	13.3
328.13889	82.1
329.14172	4.4
340.19885	2.8
346.14896	19.6
358.20819	4.6
364.15985	39.1
365.16663	2.2
408.18579	2.3
426.17651	5.1
427.11688	6.0
427.17178	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24778	1.7
53.03939	2.2
53.34382	1.7
53.48524	1.5
53.65846	1.6
55.05501	17.5
57.07063	16.7
59.04972	3.0
60.27042	1.6
67.05497	33.8
69.03425	3.1
69.07059	42.2
70.07392	2.1
71.04978	4.0
71.06926	1.6
71.08588	2.4
79.05473	23.1
81.07045	69.8
82.07368	2.7
83.01329	1.6
83.04951	4.4
83.08610	16.7
85.06514	4.4
91.05468	23.2
93.07034	59.2
94.34303	1.6
95.04939	6.6
95.08595	100.0
96.08926	3.6
97.06513	5.8
97.10166	9.2
99.08076	2.4
105.07014	54.8
105.73187	1.9
107.08580	95.7
108.08912	3.2
109.06516	7.0
109.09396	3.2
109.10144	66.0
110.10460	3.3
111.08052	4.0
111.11706	4.6
115.05447	2.2
117.07006	7.3
118.20445	2.1
119.04912	2.3
119.08568	64.2
120.08925	2.3
121.06519	2.6
121.09247	3.7
121.10131	72.2
122.10442	4.0
123.08047	8.2
123.11680	33.8
124.12021	2.6
125.09566	3.3
129.07014	4.7
131.08540	12.4
133.10107	58.3
134.10507	2.1
135.08051	5.9
135.11671	73.5
136.12004	2.6
137.09641	2.1
137.13226	18.6
139.11127	2.3
143.08594	8.6
145.06316	2.2
145.10114	30.5
147.04314	3.1
147.11678	42.1
147.16771	1.7
149.09654	4.4
149.13249	38.2
151.14828	3.2
153.12602	2.2
155.08482	2.9
155.38075	1.7
157.10101	12.1
159.08107	2.1
159.11685	27.4
160.12160	1.9
161.13248	37.6
163.11180	4.5
163.14787	38.7
165.12700	4.0
169.10106	5.1
171.11720	10.2
173.09599	7.4
173.13223	17.5
174.13939	1.8
175.11154	6.2
175.14807	28.2
177.09016	2.5
177.12599	2.0
177.16391	19.3
178.16649	2.9
179.14371	8.8
183.11676	4.2
185.13249	12.8
187.11295	3.0
187.14818	22.9
188.15205	2.6
189.16388	34.5
190.16806	3.4
191.14299	3.6
191.17940	28.5
192.18236	2.1
195.11714	2.1
197.13239	4.7
199.14810	7.6
201.12737	2.5
201.16365	21.5
203.14246	5.5
203.17946	31.7
204.18292	2.1
205.15858	5.9
205.19511	6.5
207.17500	4.3
211.14777	4.1
213.16385	5.8
215.17862	12.8
217.15939	4.0
217.19493	31.2
219.10132	16.7
219.17450	4.1
219.21107	2.2
227.17896	5.7
229.19492	4.3
231.17487	1.8
231.21037	5.4
233.18924	3.0
235.14713	2.7
235.20563	1.8
237.11165	19.2
239.18063	2.3
241.19408	3.8
243.21127	4.0
245.18861	3.3
245.22549	9.3
253.19289	2.6
255.21086	5.3
257.22473	3.6
259.24155	2.4
267.13727	3.0
269.22443	2.8
271.20340	2.4
271.24051	2.2
273.22113	2.2
285.14935	2.8
285.22076	2.2
285.25629	1.9
297.14899	3.0
321.18182	2.4
333.18201	3.2
337.28754	3.4
339.19495	22.1
341.21161	3.5
351.19565	6.6
357.20541	51.2
358.20972	5.1
389.24725	6.4
389.31888	6.5
407.25269	3.0
407.32147	10.9
407.37567	16.5
408.25470	2.1
425.33539	36.1
425.37753	70.2
426.38489	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	425.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.7
56.07280	1.6
56.78235	1.8
57.03415	2.1
57.07058	6.9
59.17359	1.7
60.56793	1.8
67.05495	29.8
69.06728	2.6
69.07063	34.3
71.08606	3.2
79.05476	20.6
81.07044	61.3
81.64902	1.9
83.08614	15.8
85.06534	2.3
91.05474	24.4
93.07027	55.2
95.04939	2.5
95.08595	100.0
97.06489	2.7
97.10139	6.8
98.21557	3.6
99.08104	2.8
105.07015	53.3
107.08578	94.7
109.06513	4.5
109.10141	75.3
111.08027	4.2
111.11709	4.6
113.09670	2.2
117.07009	5.8
119.08561	69.3
121.06567	1.8
121.10130	74.7
123.08051	3.8
123.11687	36.7
131.08557	13.9
133.10107	56.5
135.08092	2.5
135.11676	50.1
137.09570	3.3
137.13246	11.4
139.11122	2.7
142.07724	2.1
143.08525	6.4
144.09325	2.0
145.10094	24.5
147.11662	45.3
149.09593	2.9
149.13237	31.0
151.11168	4.3
153.12704	2.3
155.08485	2.2
156.09312	2.6
157.10114	10.9
159.11668	24.9
161.13239	36.5
163.11157	2.8
163.14807	37.7
165.12755	3.1
165.96223	2.0
169.10104	3.3
171.11697	4.3
173.13210	15.7
175.14790	34.1
177.16373	34.6
179.14299	7.8
179.17911	2.3
185.13237	7.2
187.11241	2.1
187.14819	23.4
189.16364	36.8
191.14291	5.0
191.17909	33.2
193.15852	6.0
199.14787	4.6
201.16371	18.8
203.14369	7.0
203.17932	68.6
205.15857	5.9
205.19476	14.4
207.17450	18.5
213.16406	9.6
215.17903	17.2
217.16035	3.2
217.19490	52.4
219.21033	8.9
221.15312	4.7
221.18892	2.8
223.16872	3.6
227.17949	3.2
229.19527	6.0
231.17409	7.7
231.21033	3.9
233.18970	6.0
233.36717	2.0
241.19493	4.8
243.20988	3.7
245.22618	6.8
253.19478	2.2
257.22549	6.2
259.24338	2.8
269.22522	3.6
271.24237	3.1
339.19489	2.7
357.20581	5.6
365.10596	1.9
379.33463	4.7
383.29224	4.2
389.32108	9.9
407.32346	25.5
407.36957	9.2
425.33432	26.4
425.38596	73.7
426.38483	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.05502	15.8
55.66697	1.5
57.03418	3.5
57.07059	7.0
59.04980	3.1
65.03931	3.2
67.05495	38.1
68.05846	3.1
69.03423	2.2
69.07057	27.4
69.61143	12.5
71.04974	5.4
71.08617	1.9
77.03919	1.5
79.05476	19.8
81.07041	69.5
83.04965	3.7
83.08601	12.9
85.06525	5.5
91.05457	21.9
93.07025	55.7
95.04957	3.8
95.08590	100.0
97.06513	2.8
97.10159	8.0
99.08065	2.8
105.07012	41.9
107.08577	92.9
108.08893	3.9
109.06503	5.9
109.10139	77.0
110.10497	3.1
111.08066	3.0
111.10177	1.6
111.11702	1.6
115.05415	2.1
117.07008	4.3
119.04900	1.6
119.08562	56.6
121.06509	2.2
121.10125	79.3
122.10468	3.3
123.08042	4.6
123.11685	39.0
125.09617	7.2
125.13234	1.9
127.11176	3.7
129.07027	3.9
130.07784	3.2
131.08545	21.4
133.10101	49.9
134.10484	2.0
135.08034	3.4
135.11673	69.2
136.12018	2.4
137.09627	2.6
137.13219	15.3
139.11162	5.9
141.06915	1.9
142.07704	2.2
143.08521	10.0
145.06543	1.7
145.10097	24.9
146.10590	1.7
147.04407	3.0
147.08032	2.1
147.11665	41.3
147.12830	2.3
148.12062	1.8
149.09587	3.4
149.13239	44.5
151.11174	3.6
153.09079	2.0
155.08572	2.9
156.09312	2.7
157.10106	12.5
158.10571	2.2
159.11694	22.3
160.12074	1.9
161.13242	34.6
162.13577	1.8
163.11113	2.4
163.14795	32.6
165.12758	3.7
169.10109	3.2
171.11693	10.4
173.13229	17.4
175.11154	4.3
175.14807	21.2
176.15204	2.2
177.12740	3.5
177.16370	18.9
179.14307	6.7
183.11679	5.8
185.13203	14.5
187.11192	2.0
187.14793	18.1
188.15120	1.9
189.12735	3.7
189.16368	27.9
190.16696	3.1
191.17921	81.4
193.12207	2.3
195.11674	1.8
197.13275	3.2
199.11208	1.7
199.14810	10.3
201.12704	3.9
201.16338	10.1
203.14311	8.1
203.17918	27.4
203.19614	2.4
204.18187	2.2
205.15916	3.4
205.19495	21.3
207.17465	4.2
209.13229	3.3
211.14871	3.9
213.12704	2.7
213.16353	6.9
215.14340	8.6
215.17920	14.4
216.14864	2.9
217.15872	4.8
217.19460	38.1
219.10109	3.2
219.17523	2.3
221.18980	3.7
225.16359	3.8
227.17935	4.1
229.19501	4.8
231.21037	5.0
233.18977	9.6
235.20518	12.1
237.16388	2.0
239.17867	3.4
241.19481	4.9
243.17442	2.7
243.21016	3.6
245.19157	1.9
245.22638	6.6
247.20526	4.4
253.19608	3.8
255.21068	3.9
257.22635	3.7
264.05026	1.8
267.21085	2.4
269.22614	3.3
284.17105	1.8
303.79080	2.0
337.28754	1.7
339.19540	4.0
340.23483	2.5
353.24603	1.7
357.20355	11.0
365.31842	1.7
379.29764	9.4
380.30002	2.3
389.32129	2.7
399.56573	1.6
407.28668	3.0
407.32907	6.8
407.36816	8.6
425.29657	8.7
425.33350	17.5
425.37842	27.7
426.30283	2.7
426.38647	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03932	2.6
55.01864	2.0
55.05502	17.2
57.07075	8.3
59.04990	1.4
60.53339	1.1
62.81053	1.2
63.80527	1.2
65.03918	1.9
67.05497	34.8
68.38437	1.2
69.03410	2.2
69.07059	52.9
69.85500	9.6
71.04967	3.4
71.08637	2.0
78.27532	1.2
79.05482	23.9
81.07046	100.0
83.04963	1.4
83.08611	19.7
85.06535	3.9
85.10159	1.5
91.05470	18.2
93.07032	51.3
95.04974	3.8
95.08596	92.6
97.06477	2.8
97.10147	9.2
105.07021	29.5
107.08574	53.8
109.06505	3.1
109.10143	74.8
110.10460	1.5
111.11699	19.3
117.06995	4.5
119.08573	32.0
121.10126	46.4
123.08072	2.9
123.11686	33.0
125.09626	3.0
131.08554	7.9
133.10101	29.0
135.11673	46.7
137.09608	6.2
137.13248	14.4
139.11221	2.9
143.08501	3.0
145.10107	14.3
147.11665	28.9
149.13234	31.3
151.11201	5.1
151.14845	3.1
155.08374	1.4
157.10127	4.2
159.11681	16.5
161.13260	17.4
163.14796	18.6
165.12845	1.6
165.16353	2.1
167.14337	1.5
171.11674	4.4
173.13243	11.4
175.14809	18.3
177.16377	16.3
185.13269	4.3
187.14799	12.3
189.16376	11.2
191.17931	12.5
193.15901	3.6
195.17439	11.4
197.13373	1.7
199.14832	5.1
201.16331	9.4
203.17957	12.5
205.15906	1.8
205.19539	5.0
207.17438	1.9
213.16406	3.8
215.17976	9.7
217.19510	12.7
219.21118	1.6
225.16129	1.3
227.17892	3.1
229.19501	8.0
231.21094	5.7
233.19017	3.7
235.20674	1.5
239.66374	1.3
241.19473	3.2
243.21107	4.8
245.22469	1.5
247.20512	2.3
255.21143	3.6
257.22641	4.5
259.24216	6.1
269.22598	5.5
271.24219	5.5
273.25793	1.8
275.23572	2.8
283.24261	5.5
285.25867	2.1
287.23599	1.4
295.24274	1.3
297.25824	2.4
311.27167	1.9
325.28857	8.7
329.28543	1.9
343.29813	5.3
351.30475	2.8
369.31494	2.9
407.36694	28.6
408.37021	2.0
425.37787	75.3
426.38217	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.42513	1.5
53.03935	3.2
55.05503	21.7
55.30577	1.9
57.07074	11.1
64.06897	1.7
67.05499	37.2
69.07060	49.6
69.85356	10.3
69.85769	3.2
71.04973	2.9
71.08615	3.4
79.01870	1.6
79.05482	17.7
81.07047	100.0
83.04971	10.0
83.08614	20.0
85.06523	3.0
91.05462	18.8
93.07035	56.2
95.04964	3.0
95.08597	96.5
97.06541	4.9
97.10162	9.6
98.21398	3.4
99.08080	2.3
105.07016	47.3
105.07708	2.8
107.08580	64.9
109.06512	3.2
109.10145	81.2
111.08057	4.0
111.11703	9.4
117.07025	3.6
119.08566	45.4
119.09395	2.7
121.10135	51.6
121.10960	3.4
123.08083	3.4
123.11692	42.1
125.09601	11.2
126.47466	2.0
127.11191	4.6
131.08527	10.4
133.10114	36.2
135.11673	39.9
137.09587	3.8
137.13248	13.8
139.11165	2.9
143.08551	3.6
145.10114	23.0
147.11673	45.8
149.13240	35.3
150.13612	2.0
151.07275	1.9
151.11154	4.6
151.14839	5.4
153.12721	1.9
155.08569	2.2
157.10126	5.4
159.11662	20.5
161.13243	28.9
163.14815	18.5
165.12714	4.1
167.69931	1.7
171.11723	7.1
173.13232	16.2
175.14812	17.8
177.16391	15.4
179.18065	2.4
183.11681	1.7
185.13254	4.6
187.14780	14.3
189.16370	21.2
191.17914	10.4
195.17441	5.4
199.14842	5.1
201.16330	11.1
203.17929	23.1
205.15799	1.9
205.19557	3.6
207.17441	7.3
213.16492	5.9
215.17958	13.0
217.02339	1.7
217.19490	15.4
219.21127	2.7
221.19006	2.6
227.17961	4.4
229.19478	11.1
231.21083	6.6
239.14789	2.3
241.19473	2.2
243.21098	5.5
245.22615	4.2
255.21062	2.5
257.22714	5.1
259.24197	4.2
269.22748	4.5
271.24185	3.3
283.24179	4.6
285.25793	4.1
296.30383	2.4
301.25287	2.4
315.27106	1.6
325.28864	23.0
327.31042	2.0
343.29944	20.5
357.20718	3.5
367.33508	2.1
369.31573	4.7
379.33093	1.9
407.36749	26.2
425.37827	83.6
426.38162	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98382	5.2
55.05494	23.7
55.17099	5.5
57.07056	11.0
67.05495	34.7
69.07063	38.1
71.80437	6.6
79.05478	17.8
81.07038	65.6
82.52110	5.4
83.08607	14.5
85.06538	6.7
89.06001	11.6
91.05447	18.5
93.07011	44.7
95.04930	9.2
95.08587	100.0
97.10141	15.1
100.60062	5.9
105.07015	34.4
107.08573	71.0
109.10145	71.7
109.58140	5.5
111.11720	6.1
119.08554	53.8
121.10126	56.0
123.08069	6.4
123.11681	36.7
127.11122	6.1
131.08560	11.4
133.10104	65.9
135.11684	43.4
137.13229	18.1
145.10103	19.1
147.11662	36.6
149.13245	27.0
157.10121	5.9
159.11674	22.9
161.13277	27.7
163.14784	25.5
171.11674	10.0
171.20905	6.0
173.13280	16.8
175.14787	25.2
177.16342	11.5
179.14372	5.3
187.14781	14.4
189.16359	14.5
191.17877	26.5
199.14790	9.9
199.16774	5.0
201.16267	13.3
203.17972	17.9
215.17921	9.0
217.19531	20.3
219.10152	8.0
231.20981	7.1
239.14810	14.2
240.15178	6.6
339.19479	9.9
339.30325	6.8
357.20544	13.6
407.36725	13.1
410.33850	5.7
425.32257	25.3
425.37610	48.0
426.34250	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	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.25066	2.2
53.06308	2.1
55.05503	23.6
57.07067	10.1
67.05494	30.5
69.07059	34.1
69.83752	5.6
69.84174	10.3
71.08604	5.1
79.05470	21.1
81.07041	61.4
83.08602	16.4
83.90837	1.8
85.06509	2.9
85.10163	3.8
91.05448	17.5
93.07029	38.0
94.34213	2.0
95.04972	4.4
95.08586	100.0
96.08939	2.9
97.06505	2.8
97.10155	23.7
98.00724	2.1
105.07020	34.6
107.08569	64.0
107.34517	1.8
108.08911	2.5
109.06480	2.1
109.10133	71.6
110.10396	2.8
110.98381	2.1
111.08086	4.3
111.11694	4.5
113.00019	12.7
113.00660	2.2
113.09578	2.3
117.07019	3.8
119.08566	46.9
121.10122	54.0
123.08080	4.5
123.11694	38.7
125.09610	2.7
127.11122	2.4
131.08556	10.0
133.10106	44.1
135.08046	2.9
135.11670	57.2
137.13219	25.1
143.08548	3.4
145.10081	20.9
147.11658	38.8
147.12706	3.9
149.13231	26.8
151.11168	4.0
151.14735	4.1
157.10106	4.6
159.11668	19.7
160.12166	2.4
161.13229	33.5
163.14799	23.6
165.12685	3.7
169.02603	20.7
171.11688	4.0
173.13210	15.2
175.11095	2.5
175.14812	25.0
177.16357	18.8
178.02806	2.0
179.14328	7.9
185.13289	6.4
187.14789	13.7
189.16367	29.4
191.17924	20.6
199.14809	4.1
201.16365	15.4
203.14247	6.8
203.17923	31.3
205.19456	16.9
207.17374	24.0
215.17874	13.0
217.19484	24.3
219.21011	3.8
221.19009	6.3
227.17807	4.7
229.19519	9.9
231.21037	6.9
233.19040	3.0
239.14900	2.8
241.19560	3.9
243.21094	9.6
245.22563	9.9
255.21233	3.4
257.22641	9.8
259.24258	4.2
265.15906	2.0
269.22546	5.2
271.24155	9.5
275.23538	2.0
283.20804	2.3
283.23987	4.1
285.25577	5.2
287.23749	3.3
297.25693	4.0
311.27319	2.6
313.27411	9.2
315.26605	3.5
323.27530	3.0
329.28409	2.7
333.13257	8.1
339.19424	4.2
357.20407	7.1
365.32040	4.7
407.36746	36.1
425.17944	15.6
425.38300	66.8
426.18610	3.1
426.37708	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	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	2.9
55.05503	17.3
55.05759	2.5
57.07071	9.1
59.04978	2.1
60.68340	1.4
67.05496	27.2
69.07063	39.7
70.40068	7.0
71.04974	5.1
75.07149	1.6
78.18530	1.7
79.05473	17.0
81.07047	76.6
83.04973	1.7
83.08608	21.2
85.06525	2.1
91.05480	14.8
93.07033	48.6
95.04955	3.7
95.08595	78.3
97.06519	2.2
97.10168	12.5
98.21333	2.1
99.08069	1.8
105.07022	28.5
107.08581	56.4
109.06498	2.3
109.10146	70.0
109.65422	1.6
111.08079	3.7
111.11682	3.4
111.59952	1.5
117.07002	3.1
119.08564	34.9
121.10142	44.4
123.08027	2.9
123.11686	28.0
125.09610	2.7
127.11181	6.8
131.08553	8.4
133.10107	31.1
135.11674	52.8
137.13232	19.1
139.11188	2.4
143.08594	2.9
144.20309	1.5
145.10118	15.3
147.11668	31.3
149.13249	32.5
151.14725	4.3
153.12772	2.6
153.93633	1.4
157.10126	2.7
159.11679	17.5
161.13242	23.9
163.14806	16.3
167.07051	6.6
167.14290	1.9
171.11609	3.8
173.13222	13.7
175.14812	21.8
177.16371	14.3
179.14153	2.6
181.15894	1.5
185.13251	4.5
187.14793	12.8
189.16367	15.0
191.17986	10.0
193.15826	1.7
195.17459	5.4
199.14879	3.9
201.16370	10.7
203.17964	16.4
205.19489	3.2
207.17432	3.1
213.16360	3.9
215.17970	11.7
217.19450	10.0
227.17900	3.9
229.19499	15.7
231.21042	13.6
243.21182	4.0
245.19070	1.9
245.22647	3.0
250.84256	1.5
257.22635	8.2
259.24252	6.9
269.22433	2.3
271.24225	8.4
285.25668	10.2
297.25983	3.4
313.25388	2.2
339.30347	1.8
343.30014	2.9
369.31430	2.1
399.72797	1.8
407.36618	17.3
425.37738	100.0
426.38184	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	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	2.8
55.05494	16.5
57.07059	5.4
60.70805	2.0
67.05494	28.7
69.07055	40.0
71.04975	7.2
71.48928	4.1
79.05475	15.6
81.07042	100.0
81.09809	2.3
83.08595	17.6
88.33485	1.9
91.05457	15.5
93.07033	42.8
95.04948	2.7
95.08590	90.4
96.08909	2.5
97.06519	2.9
97.10135	8.6
105.07011	32.9
107.07896	4.1
107.08575	67.9
109.06411	2.7
109.10137	73.8
111.11681	5.0
113.09665	2.2
117.07002	2.8
119.08554	36.9
121.10120	62.4
123.11694	36.4
123.71574	2.2
125.09614	3.5
127.11150	11.1
131.08531	11.1
133.10104	30.1
135.11667	51.9
137.13223	17.1
139.11134	2.5
145.10107	16.8
147.11656	31.6
149.13235	30.5
153.12730	4.3
157.10115	5.0
159.11661	26.5
161.13235	27.0
163.14796	18.8
165.12752	2.7
171.11618	3.6
173.13216	17.0
175.14749	20.6
177.16359	19.3
185.13228	2.7
187.14790	14.8
189.16331	18.2
191.17932	17.2
195.17412	4.7
199.14809	3.0
201.16342	10.1
203.17889	18.0
205.19472	2.5
213.16322	5.0
214.19749	2.7
215.17880	15.5
217.19441	16.9
227.17915	3.0
229.19447	14.0
231.21028	12.8
241.19415	2.8
243.21100	3.6
245.22676	3.0
255.21072	3.6
257.22714	6.9
259.24219	4.4
271.24149	5.0
283.24033	3.1
283.67133	2.5
285.25751	5.1
290.71817	2.5
301.25241	3.7
329.28995	2.2
331.27240	2.4
343.29849	4.7
369.31229	2.6
407.36697	21.8
425.37723	88.6
426.38071	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05503	14.3
55.05738	3.0
57.07069	9.7
63.74424	2.0
67.05496	24.6
69.07056	23.0
69.49691	1.9
70.46706	8.4
71.04972	2.7
71.08627	3.7
79.05475	16.5
81.07044	57.5
81.07527	2.7
82.22898	2.0
83.08607	12.2
85.06473	2.4
91.05457	11.2
93.07027	41.2
95.04969	2.4
95.08588	100.0
97.06541	2.2
97.10141	7.6
98.21381	2.2
105.07010	28.3
107.08569	67.0
109.10133	68.2
110.10465	2.3
111.08099	3.6
111.11724	5.5
112.99996	19.6
113.66117	2.0
117.07030	3.4
119.08559	36.3
120.53951	1.8
121.09255	2.9
121.10129	53.8
123.08059	2.8
123.11682	30.1
131.08546	6.9
133.10095	28.9
135.11670	39.6
137.09601	2.6
137.13243	13.3
139.11177	5.3
143.08485	2.0
145.10130	12.4
147.11653	30.5
149.13239	53.0
149.14435	3.1
151.14796	5.1
157.10088	2.3
159.11638	10.9
161.13223	27.4
163.14799	24.2
169.02579	28.5
171.11716	3.0
173.13223	11.2
175.14780	20.3
177.16338	17.8
179.14342	8.7
179.17917	2.4
187.14784	14.1
189.16353	22.4
191.17905	58.0
201.16307	6.5
203.17918	24.2
205.19514	22.2
207.17508	3.6
215.17914	11.5
216.26782	1.8
217.17551	4.0
217.19464	35.2
221.19093	2.6
229.19536	10.7
231.21051	8.0
233.18927	15.8
235.20500	9.8
241.19322	2.9
243.21129	2.9
245.22624	8.3
247.20569	5.3
247.24278	2.5
257.22662	3.5
259.24194	2.0
261.22244	2.7
271.24176	4.2
282.66031	2.1
301.25134	3.7
311.27420	2.7
313.27359	8.7
407.36780	21.4
420.62982	2.1
425.32980	3.1
425.37885	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03936	1.2
55.05500	7.3
55.61106	0.8
57.07059	8.7
58.66553	0.9
65.03948	0.9
65.73496	1.0
67.05495	19.7
69.07055	19.4
70.15772	5.9
71.08621	2.3
74.69453	0.9
79.05478	12.8
81.07046	67.6
83.08608	11.2
85.10169	0.9
91.05470	9.5
93.06493	0.8
93.07030	19.3
95.04942	1.1
95.08594	100.0
95.51919	0.9
96.08914	1.5
97.10159	5.9
100.25509	1.1
105.07021	20.4
107.08579	28.0
109.10142	40.2
111.11709	3.8
117.07000	3.6
119.08559	15.9
121.10130	20.7
123.11687	27.9
125.13252	1.2
129.06990	1.6
131.08542	8.4
133.10115	15.9
135.11679	20.7
137.13234	52.8
138.13506	1.0
143.08551	3.2
145.10112	16.2
147.11682	12.9
149.13239	16.6
151.14818	5.5
157.10135	3.2
159.11678	12.3
161.13240	12.7
163.14807	7.6
165.12816	1.2
171.11653	5.9
173.13228	7.7
175.14821	7.3
177.12833	1.0
177.16310	6.2
179.17892	4.7
185.13229	6.5
187.14801	6.8
189.16386	9.1
191.14278	1.1
191.17905	11.8
193.19513	1.8
199.14777	4.7
201.16368	11.1
203.17926	8.4
205.15845	1.8
205.19493	7.7
207.17470	3.1
213.16370	6.7
215.17909	8.7
217.19504	8.5
219.17331	5.5
219.21001	1.6
227.17903	7.2
229.19495	8.4
231.17422	2.4
231.21040	1.4
233.19020	3.2
235.20718	1.1
241.19533	2.2
243.21014	1.2
245.19006	5.2
245.22725	0.9
247.20622	3.0
252.99536	0.8
255.20929	5.4
257.22562	6.0
259.24091	0.8
269.22617	5.1
271.24200	1.1
273.22168	2.8
275.06610	1.1
275.23776	1.3
283.24286	4.7
287.23660	2.7
337.56467	1.1
351.30368	1.4
395.36737	1.6
397.37943	1.6
407.36719	22.5
408.37363	1.0
425.37802	39.5
426.38120	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	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05516	11.7
57.07047	6.4
63.28047	2.2
63.35070	2.2
67.05500	23.4
69.07056	27.8
69.60723	21.3
74.70174	2.3
79.05492	12.2
81.06596	3.7
81.07043	59.0
83.08617	13.9
85.06544	2.8
88.38909	2.1
91.05455	13.3
93.07029	33.8
95.08595	92.0
97.10135	7.6
105.07005	19.4
107.08572	54.4
109.10139	70.7
111.08073	4.5
111.11685	6.6
119.08546	35.6
121.10126	46.8
123.11681	31.2
131.08563	7.3
133.10117	29.9
135.11670	36.6
137.09546	3.4
137.13229	18.8
145.10101	10.9
147.11671	25.1
149.13229	31.1
151.14781	3.5
157.10077	2.7
159.11679	14.9
161.13228	20.1
163.14793	19.1
171.11710	3.8
173.13219	12.1
175.14803	14.9
177.12793	2.4
177.16385	16.3
179.14293	5.9
179.18016	3.2
187.14783	11.5
189.16348	17.2
191.17928	15.9
199.14754	4.4
201.16275	14.3
203.17944	10.4
205.19420	11.6
207.17458	8.9
215.17960	9.2
217.19475	18.6
219.17267	2.7
219.21051	4.3
227.17792	3.9
229.19478	9.6
231.21039	8.9
233.19020	3.2
243.21098	17.6
245.22768	13.0
255.20950	3.2
257.22656	5.6
259.24194	6.5
261.22153	4.2
269.22537	15.9
271.24197	10.8
273.25809	3.4
285.25650	9.0
287.23477	3.2
297.25525	3.5
311.27298	9.2
329.28293	9.0
341.28424	4.3
360.61203	2.5
407.36578	28.9
425.31982	5.3
425.37717	100.0
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	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03916	1.5
55.01856	1.9
55.05510	9.5
57.03426	1.4
57.07067	7.2
59.04980	0.9
61.16277	0.7
67.05495	13.0
69.03402	2.3
69.07055	18.0
71.04946	1.6
71.08601	1.4
71.81140	1.1
79.05479	9.3
80.83916	0.8
80.92773	0.8
81.07044	28.5
82.07375	0.9
83.04942	3.1
83.08596	7.2
85.06509	3.8
85.10143	1.0
89.06017	1.0
91.05455	8.4
93.07034	20.8
94.07359	1.0
95.04936	2.4
95.08595	39.0
95.75853	0.8
96.08897	0.9
97.06502	1.9
97.10148	4.8
105.07013	18.7
107.04938	1.4
107.08578	28.0
108.08874	1.8
109.06483	2.9
109.10147	22.9
110.10458	0.9
111.08046	2.3
111.11669	2.7
112.99997	2.0
117.06968	2.5
119.08563	19.8
121.06470	4.4
121.10130	25.4
122.10443	1.4
123.08056	1.6
123.11676	12.0
125.09574	1.0
129.06943	1.6
131.08554	9.6
133.06490	6.5
133.08586	1.1
133.10117	15.2
135.08084	4.6
135.11676	15.0
136.12030	1.0
137.09583	2.1
137.13239	9.7
139.07503	2.1
141.11635	1.0
142.07777	0.8
143.08496	4.6
145.10106	10.5
147.07977	3.0
147.11671	12.3
149.09604	4.7
149.13246	8.7
151.14740	1.6
155.08505	1.1
155.44122	0.8
157.10110	5.2
159.07967	1.9
159.10526	1.0
159.11676	10.6
161.09547	1.9
161.13240	9.7
163.11137	2.2
163.14821	6.0
165.05428	1.1
165.12561	1.1
167.06998	0.9
169.02571	2.5
169.10130	1.3
171.11658	4.2
173.09573	2.1
173.13252	6.7
174.13522	1.0
175.11115	2.4
175.14859	6.1
177.09061	1.6
177.12708	2.8
177.16389	5.5
179.14264	1.0
183.11658	1.7
185.13245	4.4
187.14783	6.3
189.12723	2.7
189.16412	6.7
191.14255	2.5
191.17929	5.3
193.09995	0.9
195.13925	0.8
197.13232	1.8
199.14806	2.8
201.12723	3.4
201.16357	4.6
203.14284	19.1
203.17949	7.3
203.30368	0.8
205.15866	15.6
205.19478	2.4
206.16342	0.9
211.14760	2.0
213.12744	1.5
213.16277	3.0
215.14354	2.0
215.18004	4.5
217.15820	2.8
217.19458	3.8
219.10120	5.2
219.17375	1.7
225.16327	1.8
227.17863	3.0
229.15825	1.5
229.19434	2.2
231.17403	1.9
237.11107	5.3
239.14426	1.3
241.19383	1.1
243.17288	1.1
243.21027	1.5
245.18961	1.7
245.22762	1.0
253.19473	1.5
255.21092	1.6
259.24060	1.3
271.20609	1.6
283.24265	1.2
310.40198	0.9
339.19388	7.8
341.21146	1.3
357.20551	16.1
358.21069	1.1
389.24341	1.2
389.33557	1.2
407.32236	9.5
407.36685	2.1
408.33844	1.3
425.33942	100.0
426.34213	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	425.3408
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.65898	0.3
55.01856	0.5
55.05506	2.0
57.03424	0.6
57.07053	1.1
59.04958	0.5
61.74427	0.3
67.05493	3.7
69.03412	1.1
69.07055	5.3
69.17020	0.3
69.73044	0.4
70.20927	1.5
71.04983	0.6
79.05481	2.7
81.07044	9.8
83.08604	1.8
85.06515	0.7
91.05463	3.3
93.07030	7.7
95.04975	0.8
95.08593	11.5
97.06523	1.2
97.10164	0.9
98.20774	0.7
104.60195	0.4
105.07018	7.7
107.04953	0.8
107.08582	9.9
109.06490	1.2
109.10142	6.9
111.08074	0.8
111.11731	0.5
117.07005	1.7
118.79746	0.4
119.08568	8.0
121.06483	1.2
121.10122	5.7
123.08067	0.9
123.11681	4.6
128.06142	0.6
129.06952	1.3
131.08556	5.5
133.06479	1.4
133.09148	0.6
133.10114	7.9
134.10374	0.4
135.08057	2.7
135.11670	7.1
137.09641	0.9
137.13211	2.4
142.07716	0.6
143.08546	5.1
144.09280	0.8
145.10092	4.1
147.08038	5.0
147.11644	4.1
148.08826	0.4
149.09673	1.1
149.13229	3.3
155.08536	0.9
156.09265	0.7
157.10091	3.9
159.08002	1.4
159.11667	5.5
161.09601	6.7
161.13258	3.3
163.11203	0.6
163.14743	2.0
165.09096	1.6
168.09311	0.7
169.10089	0.9
170.10864	0.6
171.11673	2.0
173.09628	1.3
173.13272	4.0
175.11157	3.9
175.14738	2.7
177.12746	0.9
177.16374	1.1
183.11632	2.2
185.13220	5.6
187.11157	1.0
187.14742	2.3
189.12691	0.6
189.16309	2.4
191.14313	1.4
191.17932	3.0
197.13194	1.1
199.11192	0.8
199.14876	1.2
201.12717	3.4
201.16325	1.1
203.14290	50.0
203.17949	2.6
204.14671	1.7
205.15860	2.0
205.19530	1.5
211.14783	0.8
213.12729	0.8
213.16414	0.7
215.14259	2.5
215.17871	0.7
217.15900	3.7
217.19479	0.9
227.14268	0.5
229.15724	0.9
230.16484	0.4
243.17406	0.6
271.20590	2.5
285.22040	0.8
297.22171	0.5
333.13248	0.5
357.20538	0.5
387.99356	0.4
407.32968	7.4
407.37918	0.5
408.33432	0.6
425.18771	1.8
425.34070	100.0
426.34460	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03928	1.8
55.05503	12.7
57.03432	1.4
57.07055	4.6
67.05497	23.0
69.07056	30.6
77.03910	1.4
79.05475	20.9
81.07041	62.7
83.04961	3.1
83.08617	9.0
85.06537	1.9
91.05455	21.2
93.07029	49.7
95.04944	4.5
95.08588	85.8
97.06472	1.9
97.10155	5.5
98.20654	3.6
103.05460	1.5
105.07011	76.5
106.07332	2.0
107.08572	81.6
108.08918	3.0
109.06490	3.4
109.09383	2.5
109.10137	48.7
111.08071	2.9
111.11674	1.3
117.07001	4.1
119.08562	62.8
119.62833	1.1
120.08884	1.4
121.10124	75.3
122.09670	1.2
122.10437	2.7
123.08073	7.1
123.11691	17.6
125.09599	1.8
128.06192	1.8
129.06992	3.7
130.07755	2.7
131.08553	21.4
133.10106	59.0
134.10443	2.2
135.08047	5.0
135.11664	29.7
135.12628	2.2
136.11980	1.6
137.09575	4.5
137.13246	5.2
142.07716	1.7
143.08568	8.0
144.09308	2.5
145.10095	33.1
147.08058	1.8
147.11662	40.3
147.36295	1.2
149.09586	5.5
149.13231	41.6
151.11209	1.9
151.14847	1.4
153.09125	2.0
155.08618	1.7
156.09288	3.0
157.10094	11.7
158.10788	2.4
159.11662	25.6
161.09526	2.8
161.13235	20.6
163.11168	4.4
163.14796	58.0
164.15141	3.1
165.12675	2.7
165.16290	1.6
169.10110	3.6
170.10909	4.2
171.11703	8.1
172.12350	2.1
173.13243	19.8
175.11308	2.3
175.14799	71.7
176.15169	2.2
177.12694	3.6
177.16359	97.1
178.16716	3.2
183.11699	1.9
185.13185	10.6
187.11249	1.6
187.14783	46.5
188.15254	2.4
189.12755	2.0
189.16347	48.1
190.16803	2.2
191.14308	8.4
191.17947	8.5
193.12201	1.7
193.15857	12.6
197.13254	2.0
199.14854	5.4
201.12703	1.5
201.16342	18.4
203.14320	10.1
203.17923	81.4
204.18279	4.7
205.15891	9.5
205.19478	5.0
207.17400	5.3
209.13177	2.3
211.14856	2.7
213.16344	12.1
215.14371	2.3
215.17940	20.1
217.15877	4.4
217.19490	7.6
219.13884	2.1
219.17433	3.7
221.15326	13.6
223.16861	15.6
225.16313	2.6
227.17941	4.7
229.15852	5.4
229.19504	5.5
230.03960	1.3
231.17393	22.9
231.20992	2.2
233.18935	3.7
235.16890	1.4
237.16524	1.4
239.17982	2.5
241.19521	3.1
243.17509	3.9
243.20958	2.3
245.19089	1.6
247.16943	2.0
253.19470	2.6
255.21078	4.6
257.18906	3.6
257.22607	1.8
259.20557	1.7
261.18549	1.7
263.17667	1.4
265.19574	1.5
269.18884	1.8
269.22708	1.7
271.24136	2.5
283.24182	2.1
307.24371	1.5
309.25754	3.0
311.23645	1.9
311.27380	1.5
319.24310	1.8
333.13510	2.2
338.47424	1.5
339.19394	1.7
357.20688	2.3
365.28357	4.1
379.33670	10.5
380.34055	1.5
383.29398	22.6
389.31989	25.1
397.34668	4.8
407.33063	51.5
408.33365	5.1
425.18195	2.5
425.34100	100.0
426.34787	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.69754	1.1
53.03931	2.1
55.05503	13.2
57.07056	3.8
59.05005	1.4
60.78882	1.0
65.03931	1.6
66.81860	1.1
67.05492	19.7
69.03425	1.9
69.07059	16.0
69.51722	8.6
69.52126	2.7
71.04961	2.0
71.08621	1.4
71.56918	1.3
77.03924	1.1
79.05482	18.1
81.07042	35.9
83.04939	2.1
83.08602	9.3
85.06523	1.2
91.05459	19.9
93.07025	39.8
94.07306	1.2
95.04959	3.0
95.08590	57.7
96.08936	2.4
97.06499	2.7
97.10176	2.0
98.20689	2.0
99.08076	6.6
105.07011	61.2
107.08571	74.2
108.08887	2.4
109.06492	3.5
109.10140	43.0
111.08067	5.2
113.09621	1.2
117.06970	7.9
119.08561	74.4
120.08865	2.2
121.06480	1.8
121.10121	54.4
123.08042	4.3
123.11687	13.2
125.09623	3.4
128.06195	1.2
129.06995	3.3
130.07765	2.6
131.08543	38.8
133.10106	50.6
133.81485	1.2
135.08032	4.7
135.11668	29.3
137.09641	3.0
137.13235	2.2
138.06374	1.2
142.07767	1.6
143.08554	8.4
144.09357	3.5
145.10098	59.8
147.04375	2.0
147.08057	1.5
147.11652	64.1
148.12010	1.9
149.09595	4.7
149.13232	30.6
151.11169	3.0
151.14828	1.7
155.08577	2.6
156.09343	3.2
157.10101	12.1
158.10915	3.2
159.11665	42.6
159.12933	2.4
160.12100	1.8
161.09625	2.3
161.13229	28.8
163.11160	10.6
163.14798	26.4
165.12823	2.7
169.10034	1.5
170.10846	1.7
171.11662	11.8
172.12442	3.8
173.11861	1.2
173.13231	35.1
175.11203	2.7
175.14793	28.2
176.15128	1.5
177.12729	5.8
177.16351	25.0
179.14339	1.3
183.11665	3.6
185.13205	11.8
186.14090	1.2
187.14786	62.3
189.12700	1.4
189.16376	30.9
191.14209	5.7
191.17944	7.5
195.13754	2.5
197.13275	3.3
199.14804	11.3
201.16354	100.0
202.16724	2.5
203.14290	4.5
203.17931	34.0
204.18141	1.8
205.15843	53.6
207.17451	4.4
209.13217	1.2
211.14838	1.9
213.12630	1.3
213.16292	6.0
215.14301	3.2
215.17879	6.0
217.15892	4.1
217.19440	7.8
219.17453	13.0
221.76590	1.1
223.14777	2.8
223.16881	32.8
225.16299	2.7
227.17972	6.0
229.19400	6.3
231.17502	4.2
233.19017	2.5
235.16919	2.2
241.19516	2.3
243.21115	1.5
245.18971	3.6
253.19527	2.1
255.20970	6.3
259.20630	2.8
267.20975	1.8
269.22638	2.3
285.22162	2.3
295.20782	1.1
295.24197	1.4
313.25266	1.4
337.25360	1.6
353.28406	4.5
357.20706	2.1
368.55804	1.2
389.32114	8.1
395.32913	2.6
407.33026	27.2
425.34103	78.7
426.34372	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	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.02379	1.1
55.05500	8.0
57.07052	3.7
59.05010	0.9
63.15795	0.9
65.03922	1.5
67.05495	14.9
69.07056	13.0
71.04987	1.3
71.58255	2.2
79.05482	12.3
81.07043	26.5
83.04974	2.4
83.08611	5.7
85.06526	3.8
88.15157	1.0
91.05463	17.9
93.07029	33.7
95.04950	2.3
95.08591	42.0
97.06504	1.7
97.10154	2.9
99.07438	0.9
99.08068	6.7
105.07015	38.6
107.08577	45.4
108.08929	1.0
109.06466	2.2
109.10136	24.5
111.08070	2.3
112.55224	1.1
115.05450	1.0
117.07003	4.9
119.08560	52.6
121.06423	0.9
121.10130	39.3
123.08063	2.7
123.11691	10.4
125.09555	2.4
129.06956	3.1
131.08542	32.8
133.10110	39.8
135.08031	8.1
135.10759	0.7
135.11664	19.5
136.12099	1.0
137.09589	2.6
137.13232	3.5
141.06946	0.9
142.07732	1.7
143.08527	6.9
144.09303	1.5
145.10100	29.2
145.91771	0.9
147.11664	51.2
148.12003	2.0
149.09566	2.8
149.13235	17.6
151.11166	2.8
155.08580	1.1
156.09283	1.7
157.10124	10.2
158.10837	2.3
159.11682	25.8
160.12224	1.3
161.09599	3.4
161.13252	15.7
163.11156	4.4
163.14798	14.8
169.10112	3.1
170.10832	2.8
171.11662	7.8
172.12450	1.8
173.13254	19.6
175.11134	11.5
175.14795	20.0
176.15193	1.6
177.12695	3.3
177.16368	14.6
179.14198	1.3
181.10077	1.4
183.11650	3.7
185.13231	10.4
187.14798	42.6
188.15167	2.1
189.12724	2.9
189.16350	16.4
190.13501	12.9
191.14200	2.9
191.17914	3.9
193.15906	1.4
195.11612	1.4
196.12401	1.2
197.13246	4.2
199.14838	7.1
201.16356	53.0
202.16664	1.9
203.14223	5.3
203.17940	13.1
205.15857	31.2
205.19458	1.6
206.16159	1.5
207.17386	5.1
209.13264	2.2
211.14745	4.4
213.16359	9.4
215.14322	2.2
215.17941	9.8
217.15842	3.2
217.19521	4.9
219.17422	8.1
225.16330	2.4
227.17917	7.1
229.19435	7.3
231.17439	3.3
231.20857	1.2
233.18977	1.2
237.16464	1.5
237.18602	1.2
239.17819	2.1
241.19441	1.7
243.21060	0.9
245.18962	5.6
245.75233	1.2
251.17848	1.2
253.19415	2.0
255.21095	3.9
265.19452	2.6
267.21024	2.7
269.22534	2.9
271.20398	1.2
271.66357	0.9
279.20944	2.1
281.22687	1.5
285.21951	1.5
293.22485	1.3
319.23956	2.1
329.24930	1.3
335.27280	2.8
337.25293	1.2
341.28513	1.4
347.27231	1.1
353.28305	2.3
357.20413	2.7
365.28384	3.0
383.29254	3.1
389.32083	5.8
395.32974	3.7
397.34415	2.7
407.33026	61.5
408.33081	4.7
425.34073	100.0
426.34482	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	425.3046
Annotation	Norselic acid C
Peak:m/z	Relative Intensity
53.03930	1.6
55.05501	6.8
57.06826	0.6
57.07063	4.3
59.04979	0.8
65.03912	1.0
67.05498	11.3
68.05832	0.7
69.07060	10.7
69.63364	1.9
69.63792	3.6
73.06510	0.7
75.17609	0.6
79.05485	9.3
81.07043	25.3
83.04973	2.0
83.08614	5.5
85.06539	1.5
91.05470	13.7
92.05790	1.0
93.07030	21.2
94.07350	1.2
95.04957	2.3
95.08596	26.2
97.06519	1.8
97.10169	1.8
98.43650	0.7
99.08070	1.4
103.05445	0.9
105.07013	24.4
107.08577	32.8
109.06503	3.2
109.10142	16.3
110.10471	1.5
111.08094	2.2
115.05438	0.9
117.06987	7.0
119.04951	0.8
119.08564	30.1
121.06496	1.1
121.10122	23.3
123.08057	6.4
123.11679	7.6
124.07977	0.6
125.05965	0.7
125.09610	12.6
125.10464	0.9
128.06219	1.5
129.06972	5.1
131.08546	18.7
133.10121	21.1
134.10420	0.7
135.04362	1.1
135.08060	4.9
135.11665	17.9
135.12619	1.2
137.09631	2.0
137.13239	3.2
139.11156	3.8
140.20276	0.7
142.07722	1.6
143.08540	10.9
144.09349	0.9
145.06467	1.0
145.10109	21.5
147.04430	2.0
147.07968	1.7
147.11664	18.8
147.12827	0.9
149.05896	1.4
149.09625	2.4
149.13225	11.0
150.10281	0.8
151.07544	0.9
151.11136	3.9
153.09128	1.0
153.12756	0.9
155.08496	4.0
156.09314	2.8
157.10114	12.3
158.10899	2.2
159.08014	1.0
159.11687	16.3
160.12122	0.8
161.09610	1.9
161.13254	16.7
163.07582	1.0
163.11159	2.4
163.14798	9.1
164.15103	0.7
165.09126	1.3
165.12665	3.4
167.08476	0.9
169.10091	5.8
170.10864	2.2
171.07953	0.9
171.11676	11.5
172.12421	1.3
173.09630	1.5
173.13239	22.6
175.07635	0.7
175.11209	3.1
175.14795	16.7
176.15231	0.8
177.09079	0.7
177.12752	3.0
177.16374	3.6
179.14282	6.1
181.10075	3.4
182.10924	1.0
183.11674	6.9
184.12363	0.9
185.13232	13.4
187.11203	2.3
187.14798	19.6
188.15320	0.6
189.09019	0.9
189.12726	3.8
189.16357	10.1
191.10623	1.4
191.14293	17.9
191.17928	3.5
193.15837	3.0
195.11705	4.6
197.13225	5.8
198.14090	0.8
199.11107	1.0
199.14783	10.2
201.12823	1.5
201.16360	8.7
203.10635	0.8
203.14313	4.0
203.17937	3.8
205.12303	1.4
205.15855	7.9
207.11681	2.1
207.13660	0.7
207.17360	0.9
209.13335	3.3
211.14767	6.7
213.12889	0.8
213.16324	10.3
215.10786	0.8
215.14314	2.2
215.17877	4.5
217.12323	1.2
217.15845	3.6
217.19412	1.0
219.10204	1.2
219.13776	3.9
219.17378	1.3
221.13210	2.5
221.15271	1.0
223.14778	3.3
225.12955	0.8
225.16374	7.5
227.17900	4.9
229.15874	1.1
229.19484	2.2
231.13850	1.4
231.17427	3.9
233.15413	1.4
235.14735	2.3
236.15643	0.8
237.11171	1.2
237.16347	5.3
238.16901	0.8
239.17883	5.7
241.15961	1.0
241.19496	2.7
243.13615	0.8
243.17426	3.8
245.15283	0.8
245.18874	1.2
247.16823	0.8
249.16425	1.3
251.17963	4.1
253.19525	3.5
255.17400	3.4
255.21080	2.2
257.19049	1.5
259.16852	2.4
263.18002	1.3
265.19513	4.1
267.21063	1.9
269.19003	0.8
269.22659	1.4
271.16879	2.9
271.20267	0.9
273.18423	1.4
277.19510	2.6
279.21112	5.7
281.19141	1.0
283.16937	2.0
285.18585	2.1
285.22308	0.8
291.21008	2.2
292.21680	0.7
293.22638	2.1
297.18576	0.8
299.20065	1.3
305.19440	0.8
305.22672	2.7
307.20758	1.2
307.24176	3.9
311.20090	1.5
319.24310	0.9
321.25827	1.2
323.20065	1.3
323.23520	1.2
325.21548	7.2
333.25647	6.8
335.27231	7.4
337.29102	1.6
339.19406	1.3
339.23181	2.0
347.27325	1.2
351.23212	1.5
351.26895	1.1
353.24643	2.6
357.20587	2.6
361.28876	8.7
363.26355	1.1
363.30444	1.0
367.26147	1.5
379.26071	7.3
379.30008	21.7
380.30142	1.3
381.27731	9.9
381.31638	1.3
389.28458	2.2
397.31201	1.6
407.24341	1.5
407.29355	28.0
408.29825	1.8
425.30460	100.0
426.30795	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	425.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05501	9.8
57.07073	3.6
62.31318	0.9
65.03922	0.9
67.05495	18.4
68.70003	0.7
69.06718	1.2
69.07056	13.6
69.72950	5.9
71.04958	1.6
71.44341	0.7
73.57186	0.7
77.03931	0.8
79.05482	13.9
81.07041	35.8
83.04984	1.1
83.08605	8.8
85.06531	11.0
91.05462	13.2
93.07026	30.5
95.04958	2.2
95.08590	29.0
97.02921	0.9
97.06506	1.0
97.10150	2.0
99.08092	1.4
103.05431	1.0
105.07015	27.0
107.08575	60.2
109.06493	2.4
109.10139	45.4
110.10477	1.6
111.08060	1.1
111.11689	1.4
116.06250	0.7
117.06989	5.3
119.08561	32.1
121.06527	1.1
121.10123	86.8
122.10439	1.6
123.08031	2.7
123.11681	33.3
125.09605	1.7
128.06187	1.0
128.26741	0.7
129.06987	4.0
131.08540	17.4
133.10109	30.2
135.11667	100.0
136.11995	1.6
137.09569	2.3
137.13220	12.0
139.07521	1.1
139.11145	1.9
141.06927	1.8
142.07764	2.3
143.08521	9.9
145.10091	16.1
145.63272	0.8
147.04346	2.2
147.08003	2.4
147.11661	18.4
148.12051	1.2
149.05972	0.9
149.09595	2.2
149.13220	7.5
151.11163	1.1
151.14795	1.1
153.09096	2.2
155.08505	4.5
156.09341	2.2
157.10086	11.9
159.08047	0.9
159.11661	12.6
161.09631	1.2
161.13245	11.1
163.11128	2.8
163.14792	37.6
165.07030	1.1
165.09084	1.9
165.16382	2.2
167.08511	1.2
168.09337	1.0
169.10077	6.5
171.11646	16.1
172.12476	1.9
173.09618	1.8
173.13232	22.2
175.11142	3.5
175.14793	10.3
177.09061	1.1
177.12746	2.9
177.16354	14.5
179.10670	1.7
179.17990	1.9
181.10110	2.4
182.10791	1.3
183.11653	6.1
185.13210	16.1
187.11154	2.4
187.14784	10.8
189.12756	8.5
189.16357	26.2
191.14259	2.5
191.17914	3.4
195.11688	2.6
195.13612	0.7
196.12401	1.0
197.13217	10.8
198.13837	0.9
199.11143	2.1
199.14787	13.5
201.12723	7.5
201.16368	6.9
203.14313	5.6
203.17926	14.6
205.15845	3.4
209.13197	1.8
209.15047	1.1
211.14786	2.5
213.12698	5.7
213.16310	3.8
215.14282	37.1
215.17694	2.0
216.15031	5.0
217.12225	0.9
217.15828	8.8
217.19392	1.0
219.13908	0.9
223.13126	2.3
223.14835	2.2
225.16359	6.3
227.14238	2.3
227.17830	2.8
229.12267	1.1
229.15866	1.9
233.15265	1.0
235.13206	3.5
237.16307	2.7
239.17850	4.2
241.15955	3.9
241.19513	1.4
242.19533	0.8
243.13805	2.0
243.17429	8.8
243.21109	1.0
245.15335	2.4
245.18965	1.5
251.36263	0.8
253.19426	3.1
255.17392	3.3
255.20901	1.0
257.18933	3.8
261.14825	6.1
269.18988	6.5
271.16849	2.3
271.20557	2.1
274.71298	0.9
283.16913	1.5
284.17087	0.9
285.18451	1.3
289.18121	1.2
309.22205	1.0
311.23450	0.9
315.19543	1.3
321.25687	1.0
323.23526	1.8
337.25092	0.9
355.22708	1.1
357.20416	1.6
361.28934	4.4
363.30322	1.1
379.29886	47.0
380.30127	2.2
381.31387	2.5
389.28281	2.1
407.29288	16.9
407.34094	1.7
425.30368	39.5
426.30615	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	425.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.1
57.03414	5.3
57.07071	24.8
66.68658	1.6
67.05499	22.3
69.07059	24.7
71.04977	7.1
71.08617	13.4
71.79768	1.8
74.09727	2.1
79.05492	8.7
81.07048	47.2
83.08602	10.4
85.10167	8.4
87.54592	1.6
89.06023	4.4
91.05447	9.3
93.07030	24.6
95.04977	2.2
95.08594	52.8
96.08909	1.8
97.10141	8.9
99.08058	2.7
105.07017	23.5
105.22868	1.7
107.08582	37.3
108.96756	1.7
109.10136	40.2
111.11715	2.3
112.99995	68.6
114.09167	2.8
117.07037	3.5
119.08551	23.6
121.10123	27.2
123.11699	19.5
125.09675	2.1
127.11156	11.0
131.08536	8.1
133.10115	20.0
135.11665	22.0
137.13239	11.7
143.08495	2.7
145.10098	15.6
147.11667	20.5
149.09500	2.1
149.13231	18.1
150.88362	1.7
151.14833	2.2
153.12737	2.7
157.10228	2.2
158.10843	2.3
159.11711	16.7
160.09714	3.3
161.13248	13.5
163.11224	2.3
163.14804	9.0
165.09108	16.4
166.79662	1.8
169.02585	100.0
169.10255	2.1
171.11781	4.4
173.13220	13.2
175.14798	11.0
177.16359	7.0
177.65915	1.6
183.11597	2.1
185.13196	4.5
187.03647	3.4
187.14807	9.3
189.16354	10.7
191.10648	2.9
191.17923	10.9
195.17490	1.9
199.14828	4.1
201.16386	6.9
203.14328	4.0
203.17926	11.8
205.12289	2.6
205.19513	2.5
215.17911	10.6
217.19458	9.5
219.10168	2.9
229.19423	8.5
231.21021	4.9
237.11249	4.3
243.21057	2.1
257.22525	2.6
259.24170	2.4
283.24377	2.0
285.25803	5.0
313.27319	38.2
315.26486	2.0
339.19534	3.5
343.29736	3.3
357.20477	10.5
369.31390	2.5
407.32584	4.4
407.37082	3.3
425.28464	10.1
425.33270	10.2
425.38477	40.6
426.35498	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	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.9
63.65238	0.6
69.46841	0.9
69.47246	6.0
70.06593	0.7
70.98100	1.1
81.03407	0.7
82.99863	1.7
85.02882	1.1
94.99895	0.7
97.02864	1.8
98.97578	6.2
101.00851	8.6
109.02841	1.0
110.97518	1.4
113.00875	1.8
116.98582	2.2
119.01910	26.1
127.02401	2.0
128.98598	1.1
131.01884	7.8
133.03416	1.1
137.02925	2.2
139.02420	0.8
142.03490	0.7
143.01881	27.0
144.02048	1.2
145.03453	6.8
146.99628	1.5
147.01375	0.8
147.03093	0.7
147.05067	0.8
149.02934	1.4
155.01865	11.4
157.03436	5.9
158.99638	2.2
160.09677	0.7
161.02942	54.2
162.03090	1.9
163.02669	1.0
163.04561	1.3
167.01874	6.0
169.03448	3.4
171.05028	2.4
172.97504	1.3
173.02948	20.3
174.03053	1.0
174.99130	0.9
175.04561	2.8
177.00740	1.0
177.02388	1.3
179.01901	2.8
179.03970	0.7
184.04512	1.7
185.02936	35.3
186.03046	0.6
186.99118	0.9
187.04617	3.8
189.00764	1.3
189.02307	1.1
190.98613	2.3
191.03963	5.3
193.03918	0.7
197.02943	13.9
199.04564	1.1
203.02145	1.5
203.03983	15.0
204.04201	1.0
204.06404	0.6
205.00201	1.0
207.03474	0.9
208.99667	0.9
214.98660	0.9
215.03998	9.1
219.01717	1.5
221.05006	2.4
227.04012	8.0
230.98103	1.1
232.99675	2.2
233.04967	1.0
237.02594	1.1
245.05045	100.0
246.05307	4.1
247.01033	1.5
257.05096	6.2
263.00650	1.9
263.06104	29.1
264.06247	1.4
275.00897	1.3
275.06055	12.2
279.03763	0.7
281.01740	3.3
286.07700	0.9
293.07147	4.4
305.01495	3.0
305.07068	10.9
317.07236	1.4
323.02853	3.4
335.08081	3.9
335.17352	0.7
365.04871	0.8
365.09280	9.5
383.10345	0.9
401.14676	1.0
425.06287	9.0
425.11343	4.8
425.20258	1.1
426.07047	1.0
426.20242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2838
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
51.33035	0.9
52.17654	0.8
53.03908	0.9
55.05507	4.2
56.05028	1.1
56.54694	0.7
57.07054	3.8
65.03951	0.9
67.05493	9.2
68.05018	8.9
69.03409	1.4
69.07063	6.2
70.06584	18.3
71.04976	1.1
71.53175	1.7
79.05478	8.2
80.04988	3.6
81.07037	12.6
81.58795	1.0
82.06552	3.8
82.07331	1.5
83.08595	3.0
84.08142	1.0
85.02844	1.1
85.06515	1.1
91.05468	14.7
92.05756	1.5
93.07033	18.8
94.06520	1.0
95.04945	5.7
95.08578	11.6
96.08109	3.7
96.08884	1.0
97.06451	0.9
98.06028	1.1
100.07594	13.3
105.07012	28.4
107.08568	12.4
108.08097	5.9
109.06483	1.6
109.10129	9.3
110.10418	1.0
112.57956	0.9
114.05499	6.1
116.07085	1.3
117.06997	9.3
119.08560	21.7
120.08073	3.0
120.08836	1.3
121.06435	0.8
121.10129	8.8
122.09599	2.5
122.10423	1.4
123.08045	1.3
123.11662	2.3
126.09113	1.4
128.06184	2.6
128.07050	17.0
129.06999	4.7
130.07729	2.1
131.08542	17.7
132.08026	1.2
133.10117	15.0
134.09642	2.6
135.08018	3.8
135.11676	5.8
137.09613	1.1
141.06992	1.2
142.07697	2.7
142.08620	7.1
143.08557	10.1
144.09259	1.5
145.10115	19.9
146.09521	1.6
146.10562	1.0
147.04344	2.5
147.10597	1.2
147.11639	6.4
148.11133	4.4
149.13222	2.0
151.11014	1.3
154.08606	30.1
155.08540	2.8
156.09329	2.7
157.10098	12.6
158.10748	2.4
159.11703	9.7
160.11084	1.1
160.12254	1.1
161.09586	1.7
161.13202	1.5
164.06999	2.5
167.08528	1.7
168.10254	7.6
169.10080	6.8
171.11670	6.0
172.11009	1.2
173.11815	1.8
173.13219	14.1
174.12720	1.5
175.14804	2.8
178.08656	4.1
179.08504	1.5
180.10196	2.0
181.10098	2.5
183.11673	3.8
183.32892	1.0
184.12398	2.0
185.13220	4.3
186.12677	1.6
187.11282	1.2
187.14761	3.3
189.16364	1.8
191.14304	1.0
192.10170	2.2
193.10133	1.4
194.11842	13.8
195.11638	2.8
196.12422	1.1
197.13303	1.7
199.14781	5.9
201.16324	2.5
207.11635	1.0
209.13237	3.5
211.14795	1.1
215.17937	1.2
216.10072	1.3
217.15816	3.2
218.11871	4.5
219.12379	1.4
220.13210	3.7
221.13304	1.3
223.14764	1.9
225.16393	1.0
232.13266	2.0
234.14912	1.1
235.14803	2.1
265.19476	1.8
281.18948	1.0
284.16373	1.8
286.17957	3.1
291.21191	1.2
298.88882	0.9
302.17380	2.2
309.21872	1.5
314.21127	7.2
317.19794	1.4
332.22128	100.0
333.22485	3.6
364.28384	2.4
406.27405	9.4
424.28342	94.9
424.36414	5.3
425.18634	0.8
425.28574	5.4
425.34155	1.6
447.76166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
54.48110	1.4
55.01854	1.7
55.05498	13.7
57.03423	3.3
57.07074	1.6
59.09862	1.4
61.02914	2.2
67.05482	6.2
69.03412	6.9
69.07051	5.9
69.92011	9.6
70.06574	5.9
71.04970	4.2
72.08137	3.2
73.02877	2.1
74.63822	1.7
79.05474	6.0
81.03387	6.1
81.07023	9.1
82.06562	1.6
83.04955	16.6
83.08598	14.0
84.04483	3.5
84.08124	5.9
85.02874	14.5
85.06510	5.0
86.09690	7.0
90.79504	1.6
91.05472	6.4
93.07034	14.2
95.04950	13.2
95.08588	7.0
97.02866	6.8
97.06510	8.0
98.06074	1.8
99.04427	5.3
104.07052	1.9
104.37918	1.8
105.07031	8.2
107.04936	1.4
107.08575	15.6
109.02859	4.6
109.06507	16.2
109.10132	14.6
111.08072	5.0
111.53587	1.5
112.07546	1.8
114.09115	2.5
114.10338	1.7
115.07553	4.3
119.08561	6.4
121.06498	8.8
121.10133	21.3
122.02312	2.0
123.04390	2.2
123.08006	3.6
123.11703	4.7
124.07535	2.0
125.09591	5.3
127.03903	21.9
130.06514	2.7
131.08537	8.0
133.06525	1.5
133.10112	27.8
135.04431	2.2
135.08025	5.1
135.11647	6.5
136.03931	21.7
136.07552	1.8
136.50896	1.4
137.05984	2.4
139.11095	3.2
145.10112	2.4
147.04379	4.1
147.11662	9.3
148.11978	2.2
149.13237	4.7
149.28944	1.5
151.07510	1.7
151.11134	16.7
153.09053	8.2
154.04961	27.5
155.06935	2.1
158.10876	2.1
163.03896	7.2
163.14825	6.0
165.12907	1.6
167.06963	2.1
167.14304	18.0
173.13217	17.7
179.03323	1.6
181.15814	1.7
182.08105	2.3
191.14276	22.5
205.19989	1.6
209.15334	100.0
210.15674	2.8
213.11227	1.8
227.16353	15.6
262.10626	2.1
280.08099	2.5
298.09180	21.7
304.05502	2.0
424.22595	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	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00779	1.3
53.03934	3.1
55.01854	2.9
56.96552	3.6
57.03420	3.6
61.02914	2.9
63.21385	1.5
65.03908	1.9
69.03420	11.7
69.07054	2.3
70.06580	10.0
71.04990	2.7
72.08129	1.8
73.02905	3.6
78.01767	2.3
79.05477	3.7
81.03410	5.7
81.07044	2.4
82.87332	1.4
84.04494	4.7
84.08129	3.6
85.02889	29.7
86.06052	6.4
86.09695	2.7
87.04459	5.3
88.07648	1.2
91.03930	1.9
91.05467	11.7
93.07033	3.9
95.04969	4.1
97.02893	12.0
97.06530	5.7
98.06047	1.7
98.97558	6.8
99.04427	3.0
99.08069	1.7
103.05451	11.1
104.07149	2.1
105.03380	3.3
107.04913	8.5
109.02863	3.8
109.06514	5.9
114.09180	5.5
114.10246	1.6
116.07077	3.3
116.98621	5.6
117.03370	3.3
119.04932	4.7
121.06502	19.7
121.10118	2.1
123.04410	3.6
125.07102	2.4
127.03896	8.9
128.07091	2.4
130.08612	6.1
131.00153	1.7
131.04922	16.6
133.02829	30.5
134.03685	1.6
134.99670	3.0
135.04393	4.3
137.05962	20.2
139.03935	2.9
140.07034	3.0
145.02826	4.0
145.04929	4.9
145.06000	1.6
146.08099	11.2
146.99623	2.0
147.04408	3.6
148.05183	6.1
149.05957	30.6
159.04358	11.4
160.10838	3.3
161.02789	1.5
161.06012	2.2
163.03909	9.6
164.01733	1.7
165.05460	30.3
167.07019	47.0
172.97543	1.2
176.04712	2.8
176.09215	1.5
177.00708	3.4
177.05446	83.8
178.05934	2.2
181.04485	2.6
181.08540	3.3
182.05730	5.8
191.07037	4.9
194.05727	2.9
197.08061	74.9
209.08069	100.0
210.08395	2.2
219.01709	2.7
227.09109	45.3
237.02809	5.4
279.11288	1.9
309.08652	2.5
310.09012	2.8
337.08044	1.6
378.38290	1.3
424.13327	2.5
424.22864	24.8
425.20074	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	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51533	0.6
53.03934	1.0
55.05498	6.5
57.07066	8.3
65.03922	1.0
67.05129	1.0
67.05492	21.4
69.07059	14.4
70.47239	2.9
71.08613	2.1
72.04510	0.9
76.81999	0.7
79.05470	7.9
81.07043	76.4
82.07377	0.6
83.08605	5.4
85.10152	1.1
89.06033	1.0
91.05466	5.6
93.07030	12.9
93.07580	1.2
95.08593	100.0
96.08899	1.6
97.10159	3.1
105.07009	8.7
107.08573	15.0
109.10138	34.3
111.11710	1.5
116.07084	2.7
117.07008	2.4
119.08559	9.2
121.06533	0.8
121.10119	10.2
123.08058	0.7
123.11692	28.2
129.06955	1.4
131.08531	6.3
133.10124	6.4
135.08041	0.7
135.11679	8.5
137.13234	68.3
138.13597	0.9
142.07715	0.9
143.08525	2.9
145.10078	7.4
145.11043	0.7
147.11688	5.0
149.09616	0.7
149.13245	8.9
151.14819	3.8
152.65538	0.7
155.08481	1.4
157.10144	3.0
159.11653	6.0
161.13229	4.0
163.14844	2.1
169.10135	1.4
171.11732	3.0
173.13214	4.6
175.14828	3.3
177.16371	4.7
179.14311	1.8
179.17921	9.8
183.11714	1.5
185.13255	3.8
187.14828	4.7
189.16394	2.7
191.17920	1.7
193.19501	0.9
197.13202	0.9
199.14833	2.9
201.16391	4.6
203.17982	2.7
205.19516	2.4
211.14763	1.6
213.16368	2.4
215.17889	8.6
217.16066	0.8
217.19514	1.6
219.17465	1.3
225.16463	1.3
227.17882	3.7
229.15782	0.9
229.19537	2.0
231.17551	1.1
239.14906	0.9
239.18042	0.7
241.19571	1.6
243.17337	3.0
243.21053	3.5
245.19041	1.4
245.22693	1.8
253.19513	1.0
255.21109	2.2
257.22479	3.1
267.20901	1.3
271.24173	1.4
273.22025	1.4
281.22626	0.9
285.25919	0.7
313.29166	0.7
331.59705	0.8
335.25647	1.8
395.36636	9.1
405.35196	5.2
423.36252	24.0
424.36716	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	423.3615
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03932	1.6
54.37927	1.4
55.05501	9.8
55.13522	1.2
57.07067	4.8
67.05494	19.7
69.07062	18.1
71.04985	1.6
71.08639	1.8
76.84128	1.2
78.05588	1.3
79.05479	13.6
81.07043	39.0
83.08592	6.8
85.06526	1.6
87.04469	1.5
89.06049	3.2
91.05462	13.6
93.07033	32.4
95.04947	3.1
95.08597	57.5
97.10159	5.4
97.95666	1.3
98.21470	2.9
105.07021	32.9
107.08581	46.8
107.09322	2.2
108.08950	1.7
109.06509	2.1
109.10141	30.7
111.11687	2.8
114.70730	1.2
117.07010	8.0
117.81050	1.3
119.08567	36.5
120.08910	1.9
121.10123	41.4
122.28989	1.5
123.08072	2.8
123.11686	17.3
126.85242	1.5
129.06969	1.9
131.08545	15.9
133.10121	27.0
135.11678	25.5
137.09618	1.7
137.13222	10.9
143.08565	6.1
144.09308	1.9
145.10103	22.5
147.11678	23.6
149.02274	2.3
149.09651	1.7
149.13252	18.0
151.11159	1.5
157.10138	5.1
159.11678	23.5
161.13235	33.5
161.14500	2.8
163.14810	11.7
165.09279	1.8
165.12817	2.2
167.79822	1.4
171.11694	5.8
173.13268	11.7
175.14798	16.5
177.16333	8.9
178.31892	1.2
179.14247	10.9
183.11647	1.7
185.13266	10.0
187.14803	21.6
189.16373	19.4
191.17885	10.2
196.97591	1.5
197.13411	1.9
199.14827	4.9
201.16360	46.4
203.17929	16.3
205.19525	5.5
207.17361	7.4
211.14720	1.9
213.16307	6.6
215.17921	34.8
216.18298	1.9
217.15956	2.4
217.19487	10.9
225.16447	2.1
227.17917	4.7
229.19518	6.1
231.17441	2.4
239.14958	2.3
239.17790	1.7
241.19507	5.2
243.21100	4.4
245.22575	2.1
247.24127	2.9
255.21072	2.6
257.22577	2.8
259.20630	1.7
267.21036	2.0
269.22791	2.3
271.24341	1.5
309.25577	1.6
395.36832	3.4
405.35150	23.2
423.36243	100.0
424.36624	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	423.3614
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.41877	1.6
53.03919	1.3
55.05504	15.2
57.07074	7.9
67.05492	25.1
69.07057	23.8
71.04987	1.8
71.08616	2.7
74.09690	1.3
76.31703	1.3
79.05482	18.9
81.07040	73.3
83.08609	11.7
91.05461	24.1
93.07024	43.8
95.04952	3.4
95.08591	96.8
96.08936	2.0
97.10155	8.3
105.07011	42.4
106.07351	2.3
107.08568	50.1
107.39773	1.4
109.06488	3.9
109.10138	52.8
111.08104	2.5
111.11731	2.4
117.07024	7.1
119.08565	48.6
121.10122	41.4
121.88857	1.7
123.08002	3.7
123.11681	29.7
129.07004	2.8
131.08553	17.3
133.08554	1.8
133.10112	39.0
135.11668	29.5
137.13229	27.5
142.07790	1.4
143.08545	6.5
145.10095	21.6
147.08060	2.6
147.11661	34.0
149.09590	3.4
149.13239	24.0
149.53091	1.4
151.14795	6.0
155.08444	2.2
156.09280	1.9
157.10088	9.1
159.11664	22.7
161.09590	1.8
161.13228	22.8
163.14799	11.5
169.10121	1.9
170.10942	1.7
171.11693	6.7
173.13223	13.0
175.14803	16.9
177.16362	9.3
179.14268	2.9
183.11650	3.7
185.13243	9.8
187.14819	12.5
189.16328	18.0
191.17902	13.9
197.13277	2.7
199.14742	10.1
201.16333	15.1
203.14288	3.9
203.17937	27.5
205.19470	10.6
211.14879	2.2
213.16408	7.8
215.17934	13.4
217.15881	6.0
217.19495	9.7
219.17307	1.8
219.21002	2.1
225.16356	1.8
227.17870	5.3
229.19562	3.7
231.17496	3.6
231.21068	2.6
239.14865	2.8
239.17810	1.6
241.19589	4.0
243.21092	4.6
245.19009	3.2
253.19551	2.6
255.20990	3.2
257.22473	2.1
259.20618	3.1
269.22647	4.2
277.07092	1.5
283.24280	2.5
295.24139	1.6
309.25812	7.7
313.25238	1.6
327.27002	1.8
339.26865	1.6
349.28775	2.5
353.28540	4.4
367.30078	1.9
395.36563	4.9
405.35132	29.7
406.35812	2.2
423.31409	5.4
423.36206	100.0
424.36612	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	423.3613
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.26970	1.3
53.03934	2.4
53.91759	1.1
55.05494	12.4
57.03416	2.3
57.07057	4.5
59.04985	2.2
65.03958	1.6
67.05493	38.4
69.07055	19.5
70.11543	6.6
71.04968	3.3
71.08624	1.3
79.05473	17.4
81.03428	1.4
81.07040	51.7
83.04974	2.3
83.08597	12.6
84.04472	1.5
85.02869	1.8
85.06499	5.7
91.05464	15.4
93.07029	38.7
95.04955	3.9
95.08589	78.0
96.08962	2.4
97.06519	2.8
97.10158	3.9
98.16451	1.2
105.07001	35.6
107.05003	1.3
107.08575	51.4
108.85418	1.1
109.06512	3.8
109.09383	2.6
109.10136	53.7
110.10459	1.4
111.08053	4.9
111.11691	1.5
113.09619	2.9
117.06955	6.0
119.08553	40.7
121.09237	2.4
121.10118	44.2
121.10955	2.3
123.08061	1.5
123.11679	16.5
125.09580	2.2
127.11220	1.5
131.08537	14.9
133.10109	33.0
133.11119	2.0
135.08046	2.3
135.10623	2.1
135.11662	43.2
137.09601	2.3
137.13248	12.4
139.11156	2.0
143.08524	3.9
144.09377	1.4
145.10094	25.4
147.11662	22.8
149.13226	30.3
151.11166	1.7
151.14813	1.8
155.44505	1.2
157.10092	6.0
159.11664	31.1
160.12271	1.4
161.13246	19.4
163.11157	2.5
163.14799	11.3
169.10159	1.4
171.11685	5.3
173.11691	3.1
173.13206	17.2
175.14795	24.5
177.12856	3.2
177.16377	10.1
183.11722	1.7
185.13278	5.0
187.14793	13.0
189.16353	26.0
191.14278	5.0
191.17911	48.2
192.18279	1.9
193.15805	5.7
195.13727	2.6
199.14825	4.9
201.16370	13.8
203.17903	15.2
205.15875	6.7
205.19473	17.5
206.19943	1.3
211.14725	1.8
213.16339	4.7
215.17911	33.7
216.18410	1.5
217.15956	1.4
217.19434	7.6
219.17453	3.2
219.21043	1.1
225.16341	2.2
227.17960	2.7
229.19484	2.8
231.17401	1.8
231.21130	5.0
233.18954	24.8
233.21033	1.9
241.19682	1.9
243.21037	3.0
245.19025	1.3
245.22697	2.1
253.19341	1.8
255.21048	1.3
257.22656	3.6
267.21146	1.4
269.22690	3.2
271.24280	2.3
273.21991	2.1
282.62335	1.5
283.24155	1.8
285.21948	1.2
300.02426	1.3
353.28699	1.3
379.33731	2.0
395.36694	5.9
405.35184	8.6
423.27713	15.1
423.36234	100.0
424.27832	3.0
424.36813	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01838	1.2
55.05494	9.5
57.07050	4.5
59.88704	0.9
60.56140	1.2
65.03914	1.3
67.05491	23.9
68.05836	0.9
69.03413	2.4
69.06729	1.3
69.07056	18.3
69.81110	6.7
70.07367	1.0
71.04964	2.0
79.05478	18.8
81.07044	45.6
81.07526	2.4
83.08604	9.8
91.05462	23.6
93.07026	44.2
94.07342	1.3
95.04955	5.3
95.07999	2.2
95.08591	42.8
97.06505	2.3
97.10134	3.3
99.48563	1.1
103.05421	1.5
105.07012	45.9
106.07281	1.1
107.08575	77.3
108.08871	2.6
109.06476	4.2
109.10140	55.4
110.10474	1.8
111.08066	2.5
111.11729	1.0
113.05970	1.3
113.09541	1.7
115.05422	1.7
117.07005	10.4
119.08559	60.7
120.08807	1.3
121.06508	1.3
121.10123	100.0
122.10394	2.2
123.08017	4.1
123.11682	29.9
125.09601	10.9
128.06201	2.4
129.06979	5.0
130.07732	1.4
131.08553	24.4
133.10107	48.4
134.10532	1.2
135.08026	2.0
135.11668	83.1
136.11989	2.2
137.09579	3.1
137.13208	7.3
139.07465	2.1
139.11162	13.5
142.07690	2.0
143.08546	16.4
144.09198	1.2
145.10106	28.5
146.10574	1.1
147.08003	2.0
147.10541	1.8
147.11665	26.7
149.09589	1.3
149.13268	8.0
151.14792	2.2
153.07970	1.6
153.09087	17.6
155.08488	2.5
156.09233	2.5
157.10089	12.9
159.07982	1.3
159.11671	24.7
160.12357	1.4
161.09598	3.2
161.13228	17.0
163.14799	37.3
164.15141	1.2
165.09079	13.1
165.16417	2.7
167.10629	5.4
169.10072	3.7
171.11658	19.0
172.12337	3.9
173.13248	20.6
174.13570	1.4
175.14792	23.1
177.16356	15.0
179.10634	16.1
181.09952	1.1
181.12193	1.3
181.15845	1.6
183.11659	3.1
185.13242	16.3
187.11130	2.1
187.14784	30.7
188.15175	1.3
189.12747	1.7
189.16356	49.5
190.16780	1.8
191.14273	3.0
191.17838	3.8
197.13205	2.6
198.13976	1.5
199.14774	32.8
200.15331	2.1
201.16353	29.0
203.17891	12.5
207.13736	3.9
209.15309	3.0
211.14813	3.1
213.16357	49.3
214.17131	15.1
215.17909	57.5
217.19447	3.7
219.13765	1.4
219.17490	1.2
225.16397	2.5
227.17921	6.1
229.19478	2.1
233.15421	2.5
237.16429	1.3
239.17889	2.9
241.19447	10.9
243.21004	9.5
245.15274	1.9
253.19444	3.1
255.21021	10.6
257.22635	5.7
259.16974	5.3
261.18454	1.5
267.20963	4.3
269.22510	4.2
271.24182	2.0
281.22583	2.3
287.19931	2.0
313.21564	1.3
353.24924	1.5
377.32028	7.9
379.33670	1.5
405.31311	4.8
418.38315	1.0
423.32410	99.0
424.32751	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01838	1.2
55.05494	9.5
57.07050	4.5
59.88704	0.9
60.56140	1.2
65.03914	1.3
67.05491	23.9
68.05836	0.9
69.03413	2.4
69.06729	1.3
69.07056	18.3
69.81110	6.7
70.07367	1.0
71.04964	2.0
79.05478	18.8
81.07044	45.6
81.07526	2.4
83.08604	9.8
91.05462	23.6
93.07026	44.2
94.07342	1.3
95.04955	5.3
95.07999	2.2
95.08591	42.8
97.06505	2.3
97.10134	3.3
99.48563	1.1
103.05421	1.5
105.07012	45.9
106.07281	1.1
107.08575	77.3
108.08871	2.6
109.06476	4.2
109.10140	55.4
110.10474	1.8
111.08066	2.5
111.11729	1.0
113.05970	1.3
113.09541	1.7
115.05422	1.7
117.07005	10.4
119.08559	60.7
120.08807	1.3
121.06508	1.3
121.10123	100.0
122.10394	2.2
123.08017	4.1
123.11682	29.9
125.09601	10.9
128.06201	2.4
129.06979	5.0
130.07732	1.4
131.08553	24.4
133.10107	48.4
134.10532	1.2
135.08026	2.0
135.11668	83.1
136.11989	2.2
137.09579	3.1
137.13208	7.3
139.07465	2.1
139.11162	13.5
142.07690	2.0
143.08546	16.4
144.09198	1.2
145.10106	28.5
146.10574	1.1
147.08003	2.0
147.10541	1.8
147.11665	26.7
149.09589	1.3
149.13268	8.0
151.14792	2.2
153.07970	1.6
153.09087	17.6
155.08488	2.5
156.09233	2.5
157.10089	12.9
159.07982	1.3
159.11671	24.7
160.12357	1.4
161.09598	3.2
161.13228	17.0
163.14799	37.3
164.15141	1.2
165.09079	13.1
165.16417	2.7
167.10629	5.4
169.10072	3.7
171.11658	19.0
172.12337	3.9
173.13248	20.6
174.13570	1.4
175.14792	23.1
177.16356	15.0
179.10634	16.1
181.09952	1.1
181.12193	1.3
181.15845	1.6
183.11659	3.1
185.13242	16.3
187.11130	2.1
187.14784	30.7
188.15175	1.3
189.12747	1.7
189.16356	49.5
190.16780	1.8
191.14273	3.0
191.17838	3.8
197.13205	2.6
198.13976	1.5
199.14774	32.8
200.15331	2.1
201.16353	29.0
203.17891	12.5
207.13736	3.9
209.15309	3.0
211.14813	3.1
213.16357	49.3
214.17131	15.1
215.17909	57.5
217.19447	3.7
219.13765	1.4
219.17490	1.2
225.16397	2.5
227.17921	6.1
229.19478	2.1
233.15421	2.5
237.16429	1.3
239.17889	2.9
241.19447	10.9
243.21004	9.5
245.15274	1.9
253.19444	3.1
255.21021	10.6
257.22635	5.7
259.16974	5.3
261.18454	1.5
267.20963	4.3
269.22510	4.2
271.24182	2.0
281.22583	2.3
287.19931	2.0
313.21564	1.3
353.24924	1.5
377.32028	7.9
379.33670	1.5
405.31311	4.8
418.38315	1.0
423.32410	99.0
424.32751	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	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14738	1.2
55.05505	7.9
55.96507	1.3
57.07053	3.8
67.05499	17.6
69.06788	1.2
69.07061	13.5
70.96938	3.4
70.97278	1.2
79.05467	13.0
81.07045	33.7
83.08605	6.7
83.47260	1.4
91.05460	16.4
93.07035	34.7
95.04954	2.0
95.08592	36.7
105.07021	32.1
107.08581	63.1
109.06501	2.4
109.10142	41.9
111.08086	1.7
117.07018	4.8
119.08567	46.0
119.09403	3.1
121.06562	1.2
121.10129	91.6
123.11691	25.9
125.09624	8.3
129.07011	4.1
131.08527	20.6
133.10107	36.6
135.11670	70.6
137.09663	3.1
137.13226	5.0
139.11150	10.6
143.08527	12.9
145.10095	22.9
147.11671	22.1
149.13289	6.5
153.09116	13.4
157.10117	9.5
159.11703	17.5
161.13202	12.7
163.14796	35.9
165.09073	14.0
165.16351	2.6
167.10675	6.9
169.10127	1.7
170.10922	1.7
171.11652	15.4
172.12408	1.9
173.13235	16.2
175.14781	16.2
177.16348	14.1
179.10672	15.1
185.13211	11.7
187.14793	21.8
189.16364	39.0
190.16704	1.8
191.14281	3.3
191.18059	2.2
199.14801	28.6
200.15535	2.0
201.16348	22.5
203.17909	12.0
205.12213	2.5
207.13806	3.7
209.15370	4.4
211.14900	2.3
213.16350	45.9
214.17122	16.5
215.17928	58.5
216.18259	3.2
217.19481	1.7
227.17877	2.9
229.19557	2.1
233.15361	2.5
239.18007	3.7
241.19495	12.8
243.21107	7.9
255.20941	8.8
257.22708	6.4
259.16873	5.8
267.21066	3.3
269.22638	4.2
287.19937	1.6
356.54248	1.4
377.32016	10.3
379.33774	2.5
383.63159	1.4
405.31396	2.9
423.32529	100.0
424.32925	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.05501	11.4
57.07050	4.8
59.94593	1.1
62.92016	1.0
65.03926	1.7
67.05139	1.5
67.05492	27.1
69.06731	1.5
69.07053	19.5
69.51411	1.1
71.08592	1.7
71.19229	2.3
71.19561	1.4
72.52765	1.2
77.03899	1.4
79.05476	17.8
81.07042	48.4
81.07526	2.5
83.08601	9.8
91.05460	23.2
93.07027	38.8
94.78582	1.2
95.04926	4.0
95.08586	51.2
97.06493	3.5
97.10123	2.6
103.05465	2.0
105.07004	45.1
107.08572	68.5
109.06475	3.9
109.10138	44.6
111.08035	1.7
117.06987	7.8
117.55028	1.1
119.08557	54.2
121.06401	1.2
121.10120	85.1
122.10419	1.4
123.08018	2.0
123.11685	28.3
124.89054	1.1
125.08759	1.1
125.09589	4.9
126.53575	1.1
128.06183	2.1
129.06932	3.7
131.07626	1.8
131.08549	23.3
133.10104	42.8
135.08029	2.8
135.11671	44.7
137.09592	1.8
137.13228	5.7
139.07451	2.1
139.10165	1.3
139.11165	17.1
142.07646	1.5
143.08556	9.4
144.09236	1.3
145.10104	39.9
146.10799	1.7
147.08005	2.3
147.10556	1.9
147.11652	27.7
149.09586	2.6
149.12093	2.4
149.13225	30.8
153.09131	6.8
155.08485	1.4
157.10091	8.7
158.10793	1.5
159.11678	26.5
160.12299	1.7
161.09508	1.6
161.13228	17.8
163.07547	1.1
163.14793	34.9
165.09097	3.0
165.16377	2.1
167.10640	9.8
169.10110	2.8
170.10881	1.8
171.11678	10.6
172.12364	5.1
173.11847	1.3
173.13220	22.4
175.13385	1.9
175.14786	25.7
177.08975	1.3
177.16351	29.1
179.10628	3.9
181.15810	2.1
183.11581	4.2
185.13206	12.4
186.13919	1.5
187.14789	51.3
189.12746	2.5
189.16356	40.5
191.14272	3.7
191.17911	6.8
193.12300	1.6
195.11560	1.2
197.13188	2.9
199.14767	25.2
200.15430	2.0
201.12657	2.8
201.16348	32.8
203.14426	1.2
203.16139	1.8
203.17920	24.7
205.15837	2.0
207.13756	7.2
209.15213	2.9
211.14662	2.0
213.16350	20.3
213.18271	2.3
214.17099	14.2
215.14525	2.3
215.17906	51.5
216.18233	2.4
217.19440	2.3
219.13643	1.6
221.15376	1.8
227.17937	3.4
229.19444	3.4
231.17351	2.6
231.20940	1.4
233.15231	3.8
239.17902	1.3
241.19524	7.8
243.20953	7.5
245.15298	3.7
247.16888	2.3
255.21078	8.4
257.22565	2.5
259.16882	6.3
261.18469	1.9
267.21097	1.9
269.22552	2.9
273.18423	2.2
285.18314	1.4
288.91681	1.5
377.31863	5.4
379.33444	3.9
387.74118	1.3
405.31287	9.7
416.78827	1.3
423.27643	7.3
423.32321	100.0
424.32709	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	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01853	1.0
55.05502	11.6
57.03415	1.0
57.07066	2.0
59.04971	1.1
65.03929	1.7
67.05493	30.7
69.03403	0.9
69.07058	13.9
69.64022	2.8
69.64442	3.8
71.04980	2.2
71.08611	0.8
73.03351	0.8
79.05476	14.7
81.07041	32.1
82.41472	0.8
83.04955	1.6
83.08595	6.6
85.02892	1.8
85.06504	2.2
91.05464	18.4
93.07027	30.7
95.04955	4.3
95.08588	48.5
97.06493	3.3
97.10143	1.1
99.08077	3.2
101.06010	3.7
103.05425	1.2
105.07011	37.2
107.04965	1.0
107.08573	46.5
109.06501	3.1
109.09387	1.5
109.10139	29.4
111.08036	4.0
115.05494	0.8
117.06990	7.5
119.00186	0.7
119.08559	54.3
121.06516	2.1
121.10125	36.0
122.10427	1.1
123.08041	5.0
123.11680	7.2
125.09618	2.3
127.07566	0.9
128.06216	0.8
129.06970	3.4
130.07777	1.3
131.08539	29.1
133.06473	1.2
133.10100	31.4
135.08023	10.1
135.11664	24.9
137.09615	5.0
137.13232	4.4
139.07520	1.0
139.11211	1.9
141.06915	0.9
142.07726	2.3
143.08548	8.6
144.09291	2.2
145.10095	43.9
146.10815	1.2
147.08031	2.7
147.10550	1.4
147.11665	20.8
147.12822	1.1
148.11925	0.9
149.09590	4.7
149.13225	16.5
151.11185	1.9
153.09074	1.0
155.08481	1.5
155.10689	1.2
156.09294	1.5
157.10098	11.5
158.10857	4.3
159.08052	1.2
159.11668	29.9
160.12213	0.9
161.09590	5.4
161.13234	16.6
163.11147	6.3
163.14804	12.2
165.09122	1.5
165.12746	1.4
167.10593	1.0
169.10094	2.8
170.10867	1.5
171.11633	8.9
172.12396	2.4
173.09555	1.2
173.11761	2.5
173.13216	29.1
175.11159	4.9
175.13370	1.6
175.14792	21.4
177.12730	4.4
177.16344	6.6
179.10600	2.2
179.14255	1.5
181.10052	1.8
183.11673	3.8
184.12552	1.0
185.13200	12.9
186.14047	1.0
187.14786	61.6
188.15259	1.2
189.12759	2.6
189.16351	21.4
191.14272	12.0
191.17920	1.6
193.12135	1.7
193.15939	1.4
195.11716	1.2
195.13765	1.1
197.13200	1.9
199.14771	13.6
201.12785	3.8
201.16348	44.4
202.16687	1.1
203.14265	6.1
203.17921	4.7
205.15877	6.2
207.13794	1.3
207.17412	1.0
209.13217	1.4
209.15450	1.2
211.14793	2.5
213.16338	9.1
214.17119	7.2
215.14276	1.3
215.17888	9.7
217.15820	5.4
219.17435	1.5
221.15263	8.3
223.14774	1.2
225.16318	1.8
227.17906	3.7
228.15047	0.9
229.15840	4.9
229.19415	2.3
231.17345	4.7
233.19020	1.1
235.16866	5.1
237.16359	1.2
239.17851	1.4
241.19446	2.3
243.17415	2.4
247.16759	1.0
255.17215	1.1
255.21060	2.9
257.19080	0.8
261.18506	1.3
267.20963	1.0
269.22617	1.7
277.19012	0.8
321.26218	0.8
323.27444	1.0
327.23306	1.2
329.24631	1.8
351.27045	1.0
353.24542	1.2
361.61841	0.9
365.28439	1.3
387.30377	1.8
405.31494	16.1
406.31705	1.4
423.27481	10.2
423.32483	100.0
424.27789	1.2
424.32828	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69982	0.5
53.03918	1.2
55.01852	1.2
55.05502	7.0
57.03416	2.3
57.07066	2.7
65.03917	0.7
67.05496	12.9
69.03381	1.0
69.07056	12.7
69.46218	3.7
69.46649	2.0
70.49612	0.5
70.96440	0.5
71.04983	1.2
71.08598	1.3
77.83922	0.5
79.05070	0.6
79.05480	6.6
79.72198	0.5
81.07044	22.2
83.04956	2.2
83.08605	6.0
85.06538	1.3
91.05459	6.6
92.05785	0.5
93.07031	16.3
95.04932	1.5
95.08592	22.2
96.08925	0.9
97.06521	2.8
97.10120	1.9
98.21393	1.1
99.08047	1.6
105.07017	31.3
107.08580	17.8
109.06508	8.2
109.10143	13.2
111.08034	1.9
111.11673	0.9
117.06972	2.1
119.07723	1.1
119.08566	19.2
120.34618	0.4
121.09245	0.8
121.10125	15.6
123.08052	35.3
123.11684	5.9
125.09622	0.9
128.06155	0.6
129.06958	0.9
131.08553	7.2
133.10109	13.8
135.08031	5.7
135.11670	7.5
137.09618	2.8
137.13208	2.7
139.11195	0.6
141.06921	0.9
142.07738	0.9
143.08521	2.7
145.10101	11.2
147.08014	1.2
147.11667	10.0
148.12012	0.6
149.09628	3.1
149.13226	6.3
151.11108	1.7
151.14819	0.6
155.08516	1.0
156.09294	1.0
157.10130	4.4
158.10899	0.5
159.11649	8.2
161.09579	1.6
161.13237	7.0
163.11104	1.8
163.14798	5.1
165.12738	1.2
169.10078	1.1
171.11632	3.9
172.12350	1.1
173.09583	1.8
173.11777	1.0
173.13226	7.8
175.11113	2.0
175.14798	17.4
176.15187	1.1
177.12746	3.2
177.16385	4.2
179.14287	21.4
180.14633	0.9
181.09998	0.7
183.11644	1.9
185.13234	4.0
187.14790	16.3
189.12816	1.1
189.16356	5.3
191.14279	1.4
191.17888	0.9
193.15874	1.5
197.13177	1.6
199.14793	2.7
201.12715	0.6
201.16376	7.2
203.17897	5.1
205.15866	1.2
205.19475	0.5
209.13344	0.7
211.14745	1.2
213.16307	4.1
215.17938	3.7
217.15901	0.7
217.19554	0.7
219.17331	0.7
223.14806	0.9
225.16315	1.2
227.17854	2.1
229.15842	2.2
229.19467	1.6
231.17426	8.6
232.17805	0.7
233.18962	1.1
241.19550	1.2
243.21005	0.8
247.16960	0.8
247.20436	1.1
251.17941	0.8
253.19496	0.8
255.21059	1.2
257.22681	0.9
263.20065	0.9
269.22556	0.6
271.23959	0.7
275.20035	2.8
281.22491	0.6
289.25052	0.7
293.21118	3.1
303.26624	2.8
331.26309	19.0
332.26535	1.1
333.25500	0.6
346.14435	0.5
349.27255	5.8
367.24765	1.2
370.67493	0.5
377.31921	1.9
381.27817	4.4
387.30560	2.7
395.33264	0.8
405.31274	10.8
405.35999	0.7
406.31985	0.9
423.31320	100.0
424.31662	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01854	0.6
55.05499	7.5
57.03435	2.9
57.07059	4.0
65.03923	0.9
67.05495	19.5
69.03410	1.0
69.07056	9.3
70.10670	3.7
71.04991	1.5
71.08620	2.5
79.05477	8.1
81.03409	1.0
81.07042	20.3
83.04981	1.7
83.08595	4.8
85.06536	2.4
85.10149	0.6
91.05463	8.4
93.07030	15.9
95.04960	1.8
95.08595	24.3
97.02882	3.8
97.06522	2.3
97.10171	2.2
99.04448	2.3
99.08090	2.5
105.07017	11.5
107.08575	16.7
107.09313	0.9
109.06495	13.7
109.10137	15.3
111.08086	2.6
117.06978	2.8
119.08557	15.0
121.06490	1.1
121.10133	15.9
122.07313	1.2
123.08051	31.6
123.11705	3.7
124.08433	0.8
125.09650	1.2
127.03904	1.7
129.07027	0.6
131.08534	6.0
133.10117	11.3
135.08044	5.4
135.11662	6.6
137.09570	1.7
137.13278	1.6
143.08578	1.6
145.10091	7.7
147.11668	7.2
149.09608	1.7
149.13213	5.7
151.11145	0.7
151.14851	0.8
157.10117	2.7
158.75531	0.6
159.11656	7.5
161.13260	5.3
163.11133	0.7
163.14807	2.9
165.12759	1.3
167.14285	0.6
169.10187	0.7
171.11690	1.9
173.11804	1.2
173.13260	5.0
175.14825	4.3
177.12747	3.0
177.16357	2.9
179.14282	60.6
180.14685	1.7
183.11717	0.9
185.13303	1.9
187.14816	4.0
189.16360	4.2
191.14294	1.2
191.17964	3.5
193.15947	2.2
195.13881	0.7
197.13283	1.1
199.14792	1.4
201.12712	0.7
201.16377	4.4
203.17915	3.8
205.15842	3.1
205.19472	0.8
207.17400	1.0
213.16426	1.5
215.17917	4.1
217.19437	1.1
219.17514	1.1
225.16304	0.8
227.17929	0.8
227.40514	0.6
229.19473	1.3
233.19060	1.7
241.19360	1.1
243.21059	1.5
247.20531	0.7
248.72945	0.7
255.21100	0.9
261.22015	1.3
263.20166	0.8
267.21088	1.1
275.20148	2.3
283.20502	1.0
283.23920	0.7
287.48499	0.6
289.25293	1.0
293.20905	1.3
303.26834	2.3
313.25296	0.7
331.26245	26.4
332.26797	1.5
349.27319	5.9
351.26694	1.0
367.24622	0.7
405.30566	1.3
405.35217	2.3
423.31119	100.0
423.36255	11.3
424.31586	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84487	0.7
53.03931	1.8
55.01851	1.0
55.05499	13.9
57.03424	4.4
57.07064	2.4
59.04985	3.0
65.03939	3.1
67.05493	100.0
69.03409	1.4
69.03770	0.7
69.07055	13.7
69.07416	1.3
70.44952	0.7
70.92141	1.4
70.92477	1.3
71.04967	3.9
79.05479	21.0
81.03413	1.8
81.07040	48.9
83.04977	3.4
83.08604	11.6
85.02918	0.8
85.06548	4.4
91.05458	16.1
93.07024	31.7
94.07381	0.8
95.04950	4.0
95.08589	20.9
96.08881	0.8
97.06499	3.5
97.10159	2.3
99.08080	1.1
105.07014	8.8
107.08576	20.8
109.10136	62.8
110.10506	1.2
111.08069	5.2
111.11710	0.8
116.06248	0.7
117.07001	4.6
119.08564	11.5
121.06529	1.9
121.10123	13.3
123.08038	1.0
123.11679	5.3
125.09579	1.7
129.07024	0.9
130.07726	0.9
131.08572	7.6
132.09030	0.8
133.10107	11.8
135.08060	2.0
135.11674	9.7
137.09625	3.1
137.13246	1.8
140.78589	0.7
142.07764	0.7
143.08559	2.3
145.10075	6.2
147.11696	4.2
149.09639	1.0
149.13235	15.8
151.11172	1.6
155.08543	1.1
155.10654	2.8
157.10110	2.5
159.11652	10.4
161.13237	3.1
163.14804	2.2
167.14282	0.7
169.10176	1.0
171.11702	2.7
173.11731	19.0
173.13237	4.8
175.14798	3.1
177.12772	3.2
177.16385	3.2
183.11739	1.6
185.13274	2.2
187.14784	5.2
189.16325	5.1
191.18015	1.6
195.13753	9.7
197.04407	0.7
197.13104	1.0
199.14816	2.2
201.12738	1.3
201.16385	3.6
203.14278	0.9
203.17935	1.7
205.19481	1.1
211.14719	1.1
213.16458	1.6
215.18015	2.4
217.19498	0.8
223.14905	0.9
227.17946	1.6
229.19495	1.1
239.17848	1.2
241.19489	0.8
253.19777	0.7
255.21109	0.9
269.22504	0.7
377.32080	0.9
405.31497	2.0
423.27380	78.1
423.32455	11.5
423.36700	2.6
424.27859	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	423.2018
Annotation	CHEBI:59526
Peak:m/z	Relative Intensity
55.02975	1.0
55.05500	1.0
60.05630	0.6
70.06554	0.7
71.07817	1.2
72.08141	15.2
81.57392	0.4
82.02918	0.6
88.54533	0.4
91.05469	6.0
97.07646	10.8
98.02419	1.2
98.06047	0.5
107.04924	0.5
110.02386	34.4
112.08701	0.6
114.10272	57.3
115.08660	2.5
115.10570	0.9
119.04924	16.9
131.12903	1.2
137.28534	0.4
145.06458	1.0
147.04385	73.8
148.04736	2.1
151.08679	1.3
152.07045	25.9
153.07393	0.6
157.10826	0.6
169.09712	1.7
170.98024	0.4
194.09212	4.4
211.11871	8.5
213.09100	1.0
217.13354	3.8
218.11682	3.5
235.14389	0.9
257.38739	0.4
259.15466	4.0
260.13931	3.8
277.16544	12.6
278.16956	1.4
363.16785	0.8
364.15363	1.2
387.61908	0.5
423.20206	100.0
424.20541	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	423.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.93468	0.5
55.01857	0.6
67.05487	0.7
69.03403	1.9
69.07040	0.8
70.06569	1.6
71.04967	0.6
72.08150	1.5
73.05656	0.6
78.03449	0.8
78.04707	3.3
78.59779	0.8
79.05473	4.3
81.03408	1.5
81.07053	1.2
83.04959	0.7
85.02867	1.4
85.06503	0.7
86.09677	1.8
91.05466	3.2
93.07027	1.2
95.04945	1.9
95.08565	0.7
97.06499	1.3
98.06054	0.7
99.04403	1.1
100.11250	3.6
103.05448	5.2
105.03363	0.6
105.07010	6.3
106.02921	3.8
106.04134	2.2
107.03238	1.5
107.04945	6.4
108.64127	0.6
109.02868	1.1
109.06493	1.0
110.06064	0.6
115.05431	2.8
117.07011	1.1
119.04921	1.3
120.53552	0.6
121.06468	1.5
123.04430	6.7
123.08009	0.6
124.03948	6.9
124.05248	3.0
125.04299	2.8
125.06019	1.2
127.03893	1.7
129.07059	0.9
131.04938	6.3
131.08545	1.0
133.06514	5.8
134.03601	0.8
135.08017	1.2
137.05951	5.5
138.06316	1.5
141.06946	1.0
144.05652	1.2
145.06461	1.6
145.10104	0.9
147.04399	2.2
149.05916	1.8
151.03876	2.1
151.07535	3.3
152.04630	1.7
153.05455	1.0
158.07181	1.0
159.08023	1.4
161.05960	6.5
163.07521	13.8
165.09093	0.9
167.07025	100.0
168.07390	3.9
169.08107	0.7
172.05209	0.7
173.06001	1.9
173.09554	1.0
175.07469	1.7
177.09074	1.7
179.07011	2.6
181.08540	4.7
182.08957	0.7
187.07578	3.0
188.08023	0.8
189.09038	1.0
192.07739	1.0
193.08582	16.4
201.09109	2.2
203.06929	0.8
205.08525	1.1
217.08624	1.0
219.10156	2.2
226.15259	0.8
227.16376	0.8
228.00449	0.6
233.11673	3.1
237.11234	1.9
250.07086	0.9
251.07468	1.2
263.10565	0.9
268.08093	1.6
269.08463	1.8
281.37646	0.6
291.10129	1.1
310.51370	0.8
323.12756	1.6
326.12244	1.1
355.15387	2.6
387.17432	0.9
405.13818	2.5
405.20001	0.6
423.15021	3.5
423.25140	2.5
448.61630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.7
61.01142	6.2
66.07590	0.5
67.05477	1.3
70.19481	3.3
71.02922	0.6
71.52318	0.5
71.81133	0.6
72.04507	10.0
73.02899	2.1
74.12482	0.6
78.03361	1.0
78.03782	13.7
81.03404	0.8
83.04969	1.9
85.02883	7.6
85.06508	1.2
86.06046	2.1
86.09660	0.7
88.02200	5.7
95.04929	0.9
98.06012	0.9
99.04438	6.0
99.05537	3.0
102.03754	21.4
102.04435	1.1
103.02152	2.6
103.03929	14.6
103.07574	0.6
104.01711	1.0
109.02863	4.4
112.07590	1.1
113.05975	1.6
114.03747	3.2
114.05510	1.9
115.05027	1.4
117.16266	0.7
118.37576	0.7
120.04777	3.7
124.07571	1.7
126.05508	15.5
127.03906	6.1
129.83862	0.6
130.08594	0.6
131.06375	11.6
132.04779	14.2
133.05116	0.8
141.06592	1.2
142.08629	5.3
147.05804	1.5
149.07425	49.2
150.07770	0.8
152.07002	2.3
154.08615	2.1
156.06511	1.2
158.02641	0.8
159.05856	2.6
163.03873	1.7
175.05345	3.7
180.06543	12.3
184.09665	2.5
186.05838	0.9
198.07576	3.9
216.08687	2.0
222.07892	0.9
231.11632	3.2
257.09573	1.6
261.12643	3.9
264.36652	0.6
275.10617	1.8
293.11618	100.0
294.11911	2.1
403.49594	0.7
405.16852	33.1
406.16922	0.7
423.22269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.6
55.01859	0.6
56.04995	0.6
56.78876	0.5
56.96537	2.4
56.96783	0.6
57.03418	1.8
58.99572	6.1
60.04489	0.6
61.02893	1.9
67.05492	6.7
68.61765	0.5
69.03423	6.3
69.07057	16.7
69.77283	3.7
70.06575	2.8
71.04964	0.7
72.08128	0.8
73.02914	0.7
76.02213	2.6
81.03384	3.1
84.04478	1.8
84.08109	1.7
85.02894	12.5
86.06026	1.2
87.04439	2.3
87.32443	0.6
91.05420	0.7
93.07021	1.3
94.06529	0.5
95.04945	2.0
96.04399	0.7
97.02883	5.3
97.06503	0.7
98.06014	2.4
98.97554	5.2
99.02629	1.7
99.04408	1.5
101.04227	45.2
101.53653	0.5
102.05505	0.6
104.07087	1.5
109.02839	2.2
110.06030	1.2
110.97572	1.1
112.07579	2.3
114.09162	0.7
116.98615	3.8
120.08074	1.8
122.02658	0.7
122.05986	1.6
123.04437	0.7
125.04240	1.0
126.05543	0.8
127.02148	6.2
127.03887	3.6
127.05741	2.1
128.98575	1.0
129.03667	2.2
130.08607	2.5
131.00114	1.1
134.99660	0.6
136.07515	0.6
137.05949	0.7
138.05453	3.6
139.03860	0.8
139.05882	0.9
140.07037	17.7
140.08119	1.1
145.04843	1.3
146.99612	0.9
149.01248	1.2
152.05385	0.7
152.06914	0.6
155.01616	1.7
155.04735	0.8
158.08075	4.2
158.99632	1.6
163.03940	1.1
166.08669	0.9
167.06990	1.3
168.04747	0.9
170.06326	2.9
172.04247	100.0
173.04530	1.8
177.00673	1.8
180.04776	1.7
182.08080	3.6
182.36317	0.5
186.99220	0.7
197.07436	2.6
198.05812	4.7
201.04196	1.0
209.08046	1.1
214.05295	9.0
215.08492	5.4
219.01707	2.9
227.08932	0.7
237.02751	4.2
239.08200	1.1
240.06984	0.6
244.06381	6.4
248.09166	0.6
257.09637	0.9
261.06390	1.0
261.09039	12.9
261.18225	0.8
284.11227	0.9
286.07413	0.8
302.12286	1.2
303.10034	1.5
305.09210	1.1
323.10153	1.5
334.09613	0.9
342.10019	0.7
360.11011	1.3
363.05634	0.8
377.13809	6.8
423.14233	77.9
424.14661	5.2
424.22885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77547	0.7
55.05498	3.0
59.04988	0.8
61.38611	0.5
67.05483	1.1
69.03416	1.4
69.07061	7.4
70.06563	1.2
70.31226	1.4
70.31628	1.5
71.04987	12.2
72.08145	3.6
74.06081	0.6
78.03429	0.9
79.05489	1.4
81.03407	3.0
81.07023	2.5
81.52525	0.5
83.04957	1.2
83.08609	3.2
84.04475	0.9
84.08140	0.7
85.02905	3.0
85.06525	0.8
86.09684	0.7
91.05453	2.6
93.07026	1.4
94.06508	1.0
95.04942	1.3
95.08592	3.0
97.02885	1.6
97.06516	2.5
98.06049	1.1
99.04446	48.7
100.11231	0.7
103.05485	0.6
105.07011	2.3
106.02908	4.9
107.04974	1.4
107.08583	14.4
108.08872	0.7
109.02849	2.1
109.06504	11.5
109.10151	1.3
110.06032	1.1
110.06829	0.6
111.08060	1.6
113.09653	3.0
114.09157	0.9
114.10259	2.7
115.06827	0.9
115.07555	9.5
119.04931	1.0
119.08592	1.7
121.10139	5.5
122.06008	1.2
123.08053	7.0
123.11684	5.3
124.03937	8.5
125.09643	3.2
127.03884	1.9
129.09073	0.7
130.08598	1.3
131.04892	0.7
131.08575	1.1
136.07568	0.8
137.05981	3.5
137.09621	0.9
139.03897	0.6
139.11172	1.8
140.07047	1.7
141.12720	1.2
146.05984	0.9
147.04384	1.1
147.11674	3.3
149.09573	4.3
161.05948	1.4
162.06329	0.8
163.11176	1.4
164.07085	0.8
165.12764	6.8
167.10660	20.0
170.06786	0.8
179.06938	0.6
183.13803	16.9
184.14053	0.8
187.07524	1.2
188.07889	1.3
189.09163	1.3
189.12833	1.3
190.09410	1.4
195.08034	0.9
196.08298	0.7
197.06001	0.6
199.13353	0.7
204.06499	0.9
206.08086	0.7
207.13763	3.4
213.09026	1.0
215.07010	1.9
216.07303	2.6
225.14830	100.0
226.15196	2.8
241.08684	0.7
242.08839	2.0
243.15860	3.7
250.07114	1.7
255.51718	0.6
268.08066	4.0
269.08615	0.7
323.93069	0.7
404.13397	1.8
404.23724	4.5
422.14713	3.4
422.19354	1.5
422.24777	17.2
423.12253	3.5
423.21088	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	422.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93920	0.2
53.65662	0.2
56.05030	2.5
57.25135	0.2
59.11073	0.2
67.05503	0.4
69.03394	0.4
69.07070	0.6
69.97082	1.6
71.04986	0.3
74.06071	8.9
79.05488	0.4
81.03410	0.3
81.07034	0.6
82.79019	0.2
85.02893	0.3
86.09695	100.0
87.10026	1.2
91.05459	0.5
93.07053	0.5
95.08633	0.3
97.02895	0.3
97.06516	1.1
98.06046	1.1
98.21616	0.2
99.05585	0.4
103.05416	0.3
107.08575	0.5
109.06540	0.3
109.10164	0.3
116.07079	1.0
119.08627	0.3
120.08091	13.1
120.13364	0.2
121.08398	0.3
125.09679	0.3
126.05502	5.1
137.05960	0.3
137.91560	0.2
139.12332	0.4
144.06566	0.5
148.07629	0.3
158.06166	0.3
166.08611	5.9
167.07077	0.4
187.14525	0.3
195.11272	2.7
211.14447	1.3
215.06921	0.4
216.07240	0.4
225.97084	0.3
233.16525	0.4
239.13878	14.7
240.14124	0.5
257.15076	1.0
259.09601	0.4
260.10107	1.2
279.17020	10.3
280.17276	0.3
360.19046	2.0
376.16302	0.3
404.21786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05504	1.4
56.05033	1.7
56.96560	2.2
57.03431	3.0
58.99575	14.1
60.16672	1.1
61.02920	1.5
67.05497	4.0
67.67247	1.1
69.03411	6.2
69.07060	8.9
70.06594	12.5
70.54321	1.0
70.97437	3.0
70.97784	1.5
71.04974	1.4
71.06928	1.3
72.08152	2.5
73.02916	1.2
74.00616	1.6
74.06082	1.4
74.65308	1.1
76.02219	89.5
76.03983	3.9
79.05479	9.4
81.03397	3.7
81.05790	1.5
82.06572	2.1
82.54955	1.2
83.04999	1.2
83.06098	2.9
84.04493	27.8
84.08141	13.1
85.02903	8.6
85.04015	3.0
86.06025	1.4
86.99046	4.2
88.02173	1.8
88.03961	1.6
89.61958	1.2
91.05478	1.6
93.07038	1.7
95.04967	2.4
96.08132	1.5
97.02874	5.5
97.06519	100.0
98.97572	4.1
99.05594	1.8
102.05510	1.6
106.02873	1.5
109.02848	3.0
110.06044	1.8
110.07127	1.5
111.04454	2.0
114.09157	38.3
116.01664	20.5
116.07062	3.4
116.98580	3.7
120.08069	1.8
121.02880	1.2
123.04478	1.7
124.03935	3.5
126.09132	1.2
127.03890	2.8
128.07034	2.1
129.06636	1.6
129.10233	1.3
130.04985	16.6
130.06531	2.9
130.08630	6.0
131.04495	2.0
134.95245	1.2
135.05559	1.5
137.05984	1.4
138.05484	2.0
139.03886	2.2
142.03163	8.9
144.01149	14.0
145.06058	1.6
146.05962	2.1
146.31897	1.3
146.99565	1.3
147.04341	1.4
147.07628	1.2
147.20024	1.2
147.29002	1.3
154.06715	4.7
155.27524	1.3
158.99596	1.5
160.09662	3.0
162.02174	45.0
167.07051	2.0
168.08054	2.2
170.02640	2.3
172.07886	3.6
174.11305	4.6
175.03880	2.5
177.00658	1.6
177.03267	13.1
177.05527	1.5
179.04834	88.2
180.08125	1.8
182.06036	4.9
184.07487	2.5
185.03827	1.8
187.05421	1.6
195.14951	1.6
200.06990	2.0
207.06488	4.6
210.05511	2.9
215.04985	1.9
220.07626	2.1
226.08617	1.4
233.05876	22.9
236.07214	1.6
241.15443	3.3
245.05876	5.0
257.09622	2.8
260.09943	2.1
260.16962	2.3
275.10605	2.6
282.07663	1.9
291.06454	2.2
300.08691	3.3
303.05133	1.6
308.09076	63.0
309.09372	2.7
318.09692	6.0
318.15305	1.7
325.89496	1.2
339.77792	1.3
422.24255	16.3
423.13840	1.3
423.19031	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	422.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68649	3.0
55.01865	8.7
56.96556	26.8
57.03424	24.3
61.02913	41.5
67.10675	3.4
69.03417	47.4
73.02921	26.9
75.96381	3.5
77.00875	4.1
81.03407	10.0
84.08159	7.6
85.02374	5.2
85.02893	99.6
85.97262	3.0
86.03246	3.3
87.04453	5.3
88.99163	5.5
91.03965	7.4
92.01295	4.9
96.08131	15.1
97.02887	43.1
98.20737	9.6
98.97565	33.4
99.04434	9.2
101.00822	10.4
103.03928	4.6
105.24614	3.3
107.37801	3.2
109.02884	8.6
110.01278	10.8
110.97573	7.0
114.09158	24.5
116.07093	5.2
116.98615	29.5
118.00992	5.9
119.01857	47.5
120.01987	12.7
121.01639	4.5
127.02405	4.6
127.03895	48.4
128.02289	19.1
128.98532	16.3
130.08598	3.5
131.01894	18.8
132.00780	4.4
133.01555	3.5
133.03479	12.6
134.99641	19.7
137.01895	4.4
137.02855	18.1
139.99680	3.5
140.02411	4.6
141.01343	9.2
143.01886	14.4
144.99792	4.8
145.01601	4.2
145.03474	15.2
145.04924	25.1
145.99858	3.4
146.02234	5.3
146.99620	21.6
147.01361	4.1
147.03084	4.4
148.02002	8.5
148.04774	5.3
149.01372	3.3
149.02893	8.6
150.01788	3.9
151.04492	3.8
152.02400	4.1
153.01250	6.8
155.01825	4.3
157.03510	5.3
158.90501	3.9
158.99658	14.4
160.97614	5.7
161.01207	10.0
161.02922	28.5
162.01732	4.4
162.03079	5.4
163.02687	6.1
163.03957	5.1
165.00725	14.6
167.00360	4.1
168.01768	8.2
169.02502	7.3
170.99742	8.6
171.02464	4.0
172.06487	3.9
173.01463	4.2
173.02934	19.7
174.99173	7.5
175.02498	4.7
175.04515	7.5
177.00729	15.5
177.02403	9.8
183.02290	16.2
184.03171	6.0
184.97675	5.3
185.02945	8.3
186.52708	5.8
186.99207	5.5
187.00864	8.0
187.04402	6.7
188.97067	12.3
189.00697	21.0
189.02298	8.2
190.02698	9.2
190.07503	11.9
190.98595	10.8
191.02356	6.3
191.03961	21.5
192.02863	8.3
193.00185	11.3
196.08165	10.2
198.04512	6.9
200.04416	7.4
200.07581	7.0
201.00732	12.6
202.09221	6.0
202.98674	9.9
203.04027	9.6
204.02814	14.1
205.00279	19.5
205.01970	6.7
206.98074	8.7
207.01656	8.6
213.03346	60.1
213.53546	11.6
214.09241	10.7
216.00708	4.4
216.05397	36.5
217.00206	10.8
217.02116	4.8
217.05531	5.4
218.08713	5.8
219.01740	16.0
220.04146	39.0
220.06714	15.1
220.10272	5.8
220.54285	9.6
220.99678	4.5
221.05026	4.9
222.03871	25.6
222.54045	7.0
223.01279	11.1
229.04626	71.1
229.06819	16.1
229.54857	7.9
230.98088	12.7
232.03751	5.8
232.99590	6.2
234.06496	19.6
235.01244	7.5
235.06631	7.6
237.02803	11.2
238.05252	6.4
239.00459	4.5
242.06207	5.3
242.08691	100.0
244.99802	10.7
245.05009	4.5
246.05154	4.0
247.01295	9.6
248.99103	5.7
254.08719	15.8
258.06433	4.7
259.03848	11.0
259.06595	5.7
260.09741	24.8
261.02618	5.4
263.00714	8.4
263.06198	5.5
264.04874	7.2
272.09756	13.1
277.02301	5.9
277.07629	15.5
293.05283	4.8
294.05972	64.8
294.56253	14.1
295.06433	4.2
299.03198	5.6
301.06796	11.0
301.57199	3.8
302.10843	14.3
303.06345	9.9
310.07364	28.4
310.57422	6.7
316.01981	5.2
321.01233	4.3
332.11502	4.8
335.03012	6.8
344.01559	10.4
344.06677	10.6
362.02762	17.2
363.03397	7.2
365.03970	10.0
375.07681	5.7
391.07281	6.0
422.04214	9.2
422.10309	7.8
423.05219	45.2
423.09747	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	422.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28556	4.0
55.01846	12.5
56.81594	4.3
56.96570	23.5
57.03432	23.6
61.02909	40.1
69.03422	52.0
71.04980	6.5
71.23112	9.2
71.23438	4.7
73.02905	31.0
79.48608	4.8
81.03383	15.3
84.04478	4.2
84.08112	7.1
84.96012	6.8
85.02896	100.0
86.03217	5.6
87.04463	5.6
91.03917	6.5
96.08106	15.7
97.02870	38.6
98.97570	35.6
99.04430	4.6
100.46999	4.3
101.00804	7.7
109.02866	8.9
110.01234	8.4
110.97552	6.2
114.09156	28.9
116.07092	5.2
116.98600	27.8
117.02006	4.5
119.01859	53.8
120.01991	11.0
121.01595	7.4
127.03908	50.7
128.02264	28.8
128.98584	15.8
131.01837	19.4
133.03432	12.4
134.03564	6.3
134.99649	13.1
137.02888	12.7
138.05414	5.6
139.01483	7.2
139.02603	6.4
139.24467	4.4
143.01881	13.9
145.01593	5.3
145.03552	22.9
145.04901	29.3
146.03571	8.1
146.99611	21.2
147.04326	6.8
148.02026	5.9
148.03741	7.1
148.04781	7.1
149.06567	5.1
151.94104	6.3
152.02312	5.2
153.01318	6.8
155.01820	8.8
157.03456	6.5
157.04524	6.0
158.99629	13.9
160.97519	6.8
161.01363	5.1
161.02916	31.7
162.01767	7.8
163.03935	7.7
165.00734	11.5
168.01823	9.3
169.02533	5.0
170.99577	10.9
171.01033	5.3
171.05113	6.4
173.02953	20.4
173.06560	6.6
173.99265	6.6
174.01709	6.8
174.99100	6.0
175.02676	9.2
175.04422	9.1
177.00673	15.0
177.02303	13.5
178.02919	4.7
181.02507	5.7
183.02275	10.9
183.52521	5.0
184.97557	5.3
185.03004	6.5
186.99127	5.7
187.00948	8.3
187.02773	4.6
187.04498	7.9
188.06076	6.5
188.97060	11.8
189.00696	20.5
189.02261	5.4
189.06038	7.7
190.02806	8.8
190.07523	8.8
190.98563	10.0
191.02306	5.0
191.03940	19.0
193.00301	9.5
196.08180	14.1
197.43137	5.2
199.03642	6.6
200.04451	8.2
200.07658	7.5
201.00681	10.8
202.09190	10.3
202.98595	10.8
203.04005	7.7
204.02817	16.0
205.00198	14.9
206.98091	6.8
207.01756	14.9
208.08093	5.2
213.03333	58.9
213.53522	11.7
214.09224	9.8
216.00462	6.3
216.05437	27.4
217.00137	8.7
218.08583	7.2
219.01778	19.1
220.04137	33.8
220.06709	13.3
220.10303	9.4
221.04945	7.5
222.03838	37.7
223.01205	14.0
228.54070	6.0
229.04642	71.3
229.06674	8.1
229.54796	10.5
230.98137	10.1
232.03612	5.1
232.99585	6.0
233.54631	8.3
234.06436	16.7
235.01135	11.4
235.06631	8.0
240.00681	5.7
242.08688	90.2
244.99669	6.2
247.01123	7.7
249.53964	6.8
251.02225	5.6
254.08717	13.0
258.06494	4.8
259.03894	10.5
259.06470	9.8
260.09906	23.8
262.05103	6.7
263.00784	10.0
263.06119	12.0
267.00116	5.8
267.99951	5.5
272.03348	5.4
272.09650	8.3
277.02185	6.5
277.07581	18.4
281.01849	4.8
285.05444	5.5
286.01254	4.9
294.06000	76.1
294.56140	10.3
295.06509	5.2
301.06815	10.9
302.05518	6.0
302.10779	20.4
303.06354	12.9
306.03207	4.6
310.07300	32.2
310.57504	7.0
311.06390	5.5
337.09381	6.2
344.01764	9.2
344.06470	8.6
362.02542	20.8
363.02368	8.8
365.03867	10.5
391.07288	8.4
422.03986	9.9
422.10324	11.8
423.05060	55.9
423.09680	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	421.3669
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03923	1.1
55.01860	1.4
55.05509	7.6
57.03407	1.0
57.07059	4.8
65.94778	0.7
67.05494	9.2
69.07056	15.2
69.98066	5.1
70.20957	0.8
71.08620	4.5
73.62447	0.8
79.05481	3.0
81.07049	5.8
83.01318	1.0
83.04971	1.6
83.08605	8.3
85.10175	1.7
89.06033	2.1
91.05463	5.6
93.07030	34.2
94.07333	0.7
95.04945	1.8
95.08595	25.9
97.06516	1.6
97.10136	3.7
99.15107	0.9
105.07004	2.7
107.08575	5.4
109.06499	1.1
109.10151	5.2
111.08057	16.7
111.11686	1.5
112.99997	4.0
117.19474	0.9
119.08554	3.0
121.06483	2.5
121.10117	2.7
123.08062	1.3
123.11745	1.5
125.09597	1.9
127.07509	2.7
131.08565	1.7
133.10107	1.4
135.11632	1.6
137.13274	0.7
139.07516	16.9
140.07880	1.0
145.10132	1.9
147.11667	1.5
149.09569	1.0
149.13242	1.9
151.11176	1.4
153.09076	9.6
154.09579	0.8
156.26286	0.8
157.08612	4.4
157.09813	0.9
159.11656	0.8
167.10660	7.3
169.02554	4.3
172.14171	1.0
179.10640	1.6
181.12231	4.9
182.98790	0.7
187.14813	1.0
189.67397	0.8
191.14311	0.9
193.12309	1.3
195.13780	4.7
197.13258	1.1
199.14821	1.3
207.13727	1.9
209.15361	3.4
213.16461	1.1
221.15356	1.4
223.17024	1.0
237.18544	1.2
239.17947	0.8
251.20117	1.0
257.85764	0.8
259.43097	0.8
265.21713	1.6
301.74136	0.8
321.27792	1.8
333.27991	0.9
403.35751	20.8
404.35983	1.5
421.36713	100.0
422.36966	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	421.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.2
55.06068	1.2
56.83904	1.3
57.07068	6.4
67.05486	5.5
68.99319	1.3
69.07060	31.0
70.39377	7.0
71.08617	2.5
79.05489	2.7
81.07042	8.4
83.01331	8.0
83.08609	12.1
89.06011	3.9
91.05414	1.4
93.07034	3.4
95.08614	10.0
97.06530	4.3
97.10155	8.6
105.07006	3.3
107.08565	5.3
109.10176	6.8
111.08031	2.2
111.11726	1.3
113.00001	2.0
116.07063	1.7
119.08575	3.0
121.06506	1.7
121.10119	4.3
123.08066	2.9
123.11698	6.0
125.05981	5.2
125.09611	5.3
127.07534	3.5
135.08043	1.3
135.11685	3.6
137.09604	3.1
139.07510	23.4
139.11137	2.2
145.10072	2.8
148.71552	1.2
149.13228	2.1
151.11147	4.5
153.09111	5.5
153.12689	1.8
159.11710	2.9
161.15918	1.3
163.11143	1.7
167.10683	7.1
169.02591	1.7
173.13312	2.7
177.12642	1.9
181.12206	10.5
193.12099	1.8
195.13797	12.2
207.13734	2.0
209.15370	7.1
221.15442	1.5
223.16875	2.8
239.14883	1.7
265.21527	2.8
286.59869	1.5
293.24692	2.0
319.66595	1.5
321.27942	1.6
403.35666	22.3
404.36310	1.9
421.23184	4.3
421.36719	100.0
422.37149	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	421.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04688	0.6
53.03917	0.7
53.18478	0.7
55.05505	10.9
57.03419	1.2
57.07060	5.3
58.68777	0.7
58.95442	0.7
67.05492	4.9
67.92370	0.7
69.03405	1.1
69.07061	20.1
69.85590	4.6
70.81127	0.7
71.04969	0.8
71.08611	2.7
78.44418	0.7
79.05473	2.2
81.07044	8.7
83.01325	8.4
83.04966	1.1
83.08611	11.2
85.06531	1.6
86.09666	0.9
87.04459	1.0
89.06010	2.0
91.05473	1.8
93.07032	5.5
95.04942	2.2
95.08594	11.2
97.06514	2.9
97.10152	6.9
105.07025	3.0
107.08575	5.0
109.06516	1.1
109.10139	6.8
111.08056	3.7
111.11686	1.5
119.07835	0.7
119.08557	3.6
121.06482	2.2
121.10151	4.2
123.08068	2.8
123.11688	3.4
125.05962	3.9
125.09616	3.8
127.07555	2.0
131.08554	1.3
133.10124	2.6
135.08066	1.4
135.11667	2.9
137.09625	3.4
137.13240	1.5
139.07521	40.8
139.11122	3.4
145.10124	1.7
145.16058	0.7
147.11687	1.1
149.09610	1.1
149.13278	1.7
151.07507	0.9
151.11148	3.9
151.14832	1.0
153.09070	4.2
153.12730	1.7
157.10153	1.0
159.11708	1.3
161.13271	1.2
163.14799	1.3
165.12743	1.4
167.10660	7.4
167.14291	1.0
168.10962	0.8
169.02557	1.5
171.11609	0.8
171.13765	1.0
173.13275	1.3
177.12773	1.1
179.14127	0.7
181.12213	9.6
185.13263	0.9
189.12611	0.7
191.14244	1.0
195.13794	9.0
199.15013	1.3
207.13800	2.7
209.15283	4.6
211.14670	1.0
223.16959	2.2
237.18561	1.4
251.20146	2.2
265.21658	3.0
279.23322	1.4
293.24796	1.6
385.34695	1.1
403.35715	22.3
404.36160	1.7
421.36740	100.0
422.37057	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	421.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03931	2.6
55.01871	1.2
55.05502	9.1
57.03417	0.8
57.04614	0.8
57.07045	1.8
60.19666	0.8
65.03925	2.7
67.05494	19.3
69.03405	2.6
69.07059	14.5
71.04967	1.2
71.79458	1.5
73.06117	0.7
79.05486	14.9
81.03413	3.8
81.07041	26.0
83.04967	3.6
83.08607	7.7
85.02881	1.4
85.06525	0.9
87.74017	0.8
91.05467	28.3
93.07034	21.7
93.07634	1.2
95.04944	6.1
95.08588	22.6
97.06532	4.2
97.10149	2.5
101.05980	0.9
103.05437	1.8
105.07018	27.9
107.04936	5.2
107.08578	100.0
108.08890	1.8
109.06506	30.6
109.10143	37.1
110.10477	1.3
111.08070	1.7
115.05452	0.9
116.06239	0.9
117.06991	3.1
119.06044	2.0
119.08569	26.9
121.06493	43.5
121.10126	26.3
122.06814	1.4
122.10503	1.0
123.08075	3.7
123.11693	4.8
125.09605	2.6
128.06161	1.1
129.06989	2.7
131.08557	8.3
133.06532	2.1
133.10115	18.2
135.08032	3.0
135.11674	16.3
137.05951	1.1
137.09593	1.7
137.13229	4.9
142.07698	1.2
143.08557	4.5
145.10109	8.7
146.10693	0.8
147.08032	2.0
147.11662	12.1
149.09598	75.2
149.13239	7.8
150.09930	2.9
155.08517	1.6
157.10104	8.6
159.11676	9.2
161.09625	2.8
161.13213	6.8
163.03899	2.6
163.11188	4.7
163.14845	2.9
165.12729	1.0
167.07050	1.0
169.10130	2.5
171.11702	5.0
173.02335	1.1
173.09624	1.2
173.11844	1.7
173.13261	6.6
175.11166	3.2
175.14784	6.6
177.16356	2.2
183.11639	1.8
185.13242	4.1
187.14813	5.9
189.12781	1.1
189.16342	12.4
191.14317	1.1
191.17950	12.3
193.12230	1.9
197.13286	2.4
199.14795	4.6
201.12801	1.2
201.16391	6.3
203.17982	5.8
205.19508	1.1
209.13162	1.0
211.14792	1.8
213.16382	8.6
214.17145	1.0
215.07021	1.6
215.14247	0.9
215.18002	2.1
217.12326	0.9
217.15999	1.6
217.19572	1.2
225.16315	2.2
227.17960	1.8
229.15904	1.4
229.19502	1.9
231.17430	5.8
233.15485	1.0
237.16318	0.9
239.17870	1.0
241.19362	1.1
243.21185	1.1
253.19534	1.3
255.21069	1.3
257.19778	0.8
257.22498	4.3
259.09570	4.5
267.21222	1.1
295.24274	1.6
297.25766	2.2
311.20081	1.3
313.25436	1.2
315.26651	1.5
329.20969	5.2
347.22232	1.0
353.28461	1.1
365.28180	1.9
379.33667	1.5
403.13718	1.5
403.24759	5.2
403.33328	5.4
421.26309	11.2
421.34634	72.0
422.21063	3.8
422.26270	1.9
422.35159	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	421.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69184	1.3
52.85465	1.5
53.03935	2.7
55.05502	14.8
57.07070	6.1
62.31526	1.7
67.05495	29.4
68.05773	1.6
69.07056	28.9
70.14614	9.5
71.04940	1.8
73.40575	1.5
79.05482	26.0
81.07047	56.5
83.08589	10.1
91.05471	31.1
93.07037	51.6
95.04968	6.7
95.07992	3.1
95.08596	63.5
96.08928	2.0
97.06506	3.6
97.10166	4.8
99.08061	2.3
103.90333	1.5
105.07019	63.3
105.07693	3.8
106.07385	1.8
107.08581	61.2
108.08900	2.2
109.06548	3.1
109.10145	36.6
110.10551	2.2
111.08109	3.9
114.09200	6.0
115.05386	1.6
117.07011	11.4
119.08575	65.5
121.06485	2.4
121.10133	43.7
123.08074	5.4
123.11685	18.3
125.09612	3.1
125.72569	1.6
128.06241	5.1
129.07007	14.8
130.07857	1.7
131.08542	26.3
131.09425	2.0
133.10112	43.5
135.08055	4.4
135.11679	41.6
136.12076	2.0
137.09645	2.6
137.13300	4.7
141.07027	4.1
142.07793	5.0
143.08562	21.3
145.10094	32.2
147.11671	36.3
148.12129	1.7
149.09601	1.9
149.13245	20.2
151.11195	2.1
155.08601	6.0
156.09404	4.7
157.10100	27.5
158.10782	2.0
159.11685	30.6
159.12885	1.8
160.09689	3.3
161.09679	2.2
161.13245	28.3
163.11230	4.0
163.14830	13.6
165.12708	2.4
169.10156	8.2
170.10930	3.2
171.11673	22.2
173.13240	24.7
175.11243	3.3
175.14821	16.8
177.16351	8.2
178.25322	1.7
179.14348	3.5
181.10286	2.5
183.11748	7.2
184.12399	1.8
185.13228	25.2
186.13623	2.4
187.14806	20.6
189.16360	20.7
190.16794	1.9
191.14525	2.6
191.17952	23.5
195.11827	2.3
197.13324	8.2
199.11134	1.9
199.14796	21.7
201.16367	26.6
203.14310	2.0
203.17940	24.7
205.15860	2.2
207.17412	12.1
209.13231	3.1
211.14865	5.9
213.16351	100.0
214.16833	6.3
215.17883	14.1
217.15942	4.1
217.19513	8.0
221.19006	3.9
225.16545	5.5
227.17982	7.3
229.19623	5.6
231.17517	6.5
231.21201	6.0
235.15041	2.0
237.16528	3.1
239.18018	4.3
241.19563	3.5
243.17381	2.2
243.21275	2.8
253.19629	3.0
255.21236	4.9
263.18015	1.9
267.21179	5.3
271.20676	3.8
281.22736	5.1
329.21143	3.5
333.25992	2.8
349.29053	2.1
370.88275	1.9
403.24954	2.8
403.33682	22.3
404.34070	1.9
421.25607	2.5
421.34875	98.4
422.30655	2.4
422.35257	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	421.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98260	0.8
53.03937	2.7
55.01851	1.1
55.05500	6.9
57.03415	0.9
57.07058	2.4
65.03931	2.9
67.05494	13.5
69.03411	2.9
69.07055	14.7
70.22638	2.1
70.23060	2.2
77.03934	1.0
79.05496	10.4
81.03399	1.8
81.07040	21.3
83.04961	1.5
83.08606	7.6
85.02870	0.9
91.05463	26.6
93.07033	20.9
93.46100	0.8
95.04965	4.1
95.08599	20.0
97.06507	4.6
97.10155	2.2
105.07014	27.5
107.04947	4.9
107.08578	100.0
108.08897	2.7
108.74467	0.8
109.06503	35.7
109.10142	31.8
110.10526	0.9
111.08079	1.3
115.05439	1.0
117.06995	3.2
119.06075	1.8
119.08565	26.3
121.06490	46.9
121.10127	27.3
122.06802	1.0
123.08025	3.0
123.11667	4.6
125.09627	1.3
129.06975	2.2
130.07825	0.9
131.08548	8.2
133.10109	19.5
134.10497	0.7
135.03296	0.8
135.08049	2.4
135.11684	15.8
136.12085	0.9
137.09624	1.4
137.13237	4.2
143.08571	3.1
145.10118	9.8
147.08011	1.4
147.11668	10.7
149.09599	92.0
149.13213	8.0
150.09961	2.7
156.09314	1.6
157.10120	4.4
159.08043	0.8
159.11687	7.8
161.02388	0.8
161.09610	2.4
161.13255	6.9
163.03903	3.9
163.11145	4.2
163.14816	2.9
164.11456	0.8
167.08519	0.8
169.10059	1.0
171.11620	4.3
173.02344	0.9
173.13264	6.4
175.11179	2.8
175.14824	7.2
177.12796	1.4
177.16241	1.1
183.11685	1.2
184.12106	0.8
185.13266	3.2
187.14764	6.5
189.12759	1.2
189.16365	11.5
190.16837	0.8
191.14246	0.8
191.17915	11.1
197.13173	1.1
199.14836	3.2
201.16383	5.8
203.17896	6.3
211.14740	1.0
213.16336	9.4
214.17067	1.2
215.07042	1.4
215.14116	1.3
215.17946	2.8
217.15884	2.1
227.17967	2.1
229.15848	1.9
229.19565	1.0
231.17389	11.4
232.42505	0.9
239.18048	0.9
241.19608	0.9
243.21098	1.1
253.19444	1.0
255.20987	1.1
257.22595	4.8
259.09610	5.8
265.19629	1.0
271.24234	1.2
295.24185	4.0
297.25647	1.6
313.25137	2.3
315.26978	0.9
329.21106	3.1
353.28146	0.9
365.28278	1.9
379.33841	1.3
403.14001	1.3
403.24948	2.7
403.33438	4.7
421.25644	2.8
421.34625	75.3
422.34924	8.7
438.87646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43373	0.6
53.03925	2.1
55.01857	2.2
55.05503	6.4
57.03415	1.2
57.07051	2.0
61.02913	0.9
65.03925	3.2
67.05493	12.7
68.80862	0.7
69.03412	4.5
69.07052	14.5
69.99619	4.5
70.06580	0.8
71.04979	1.2
77.03884	0.7
79.05483	11.8
81.03396	3.1
81.06590	1.3
81.07046	20.7
83.04941	1.8
83.08617	5.7
85.02869	2.2
91.05463	25.4
93.07031	19.0
95.04950	4.8
95.08595	22.1
97.02868	1.2
97.05931	1.4
97.06517	16.4
97.07061	0.7
97.10110	0.9
99.04460	1.1
99.08045	0.8
103.05435	1.5
105.07014	25.0
107.04941	4.6
107.08578	100.0
108.08896	2.6
109.02839	2.0
109.06503	32.4
109.10141	34.8
110.06824	0.9
110.10458	0.9
111.08080	1.3
115.05468	0.9
117.07002	2.9
119.06023	2.6
119.08564	25.7
120.08894	1.2
121.06488	44.4
121.10129	29.0
122.06819	1.3
123.04340	0.9
123.08055	3.4
123.11665	5.5
125.09615	1.3
129.06989	2.6
131.08548	7.8
132.13393	0.7
133.06473	1.1
133.10106	18.2
134.10475	0.7
135.04369	1.4
135.08070	2.9
135.11674	18.3
137.05939	1.6
137.09593	1.3
137.13239	4.0
141.06969	1.4
143.08571	3.8
145.06485	0.8
145.10083	9.0
147.07993	1.0
147.11665	12.8
149.09598	83.6
149.13223	7.1
150.09927	2.5
151.11110	1.4
157.10098	5.9
159.04405	1.2
159.11646	7.6
161.02316	1.3
161.09587	3.0
161.13240	6.5
163.03862	8.1
163.11159	4.7
163.14844	1.9
167.07027	1.8
169.10046	1.0
171.11694	3.5
173.02328	5.0
173.09509	1.0
173.13232	5.9
175.11201	3.0
175.14804	7.7
177.12822	0.9
177.16370	1.4
182.10789	1.0
183.11688	1.0
185.09535	0.8
185.13283	1.8
187.14799	4.8
189.09021	0.9
189.12671	1.5
189.16370	11.8
190.16946	0.9
191.17926	10.6
195.11674	0.9
197.13130	1.1
199.13100	0.9
199.14731	5.0
201.16324	5.4
203.17944	6.4
209.13225	1.1
211.14839	2.2
213.16344	8.4
215.07002	7.6
215.18005	1.9
217.15935	2.2
217.19456	1.4
225.16255	1.2
227.17845	1.1
229.15839	1.4
229.19528	1.0
231.17401	8.1
231.21095	1.2
241.19418	1.2
243.21017	1.7
253.19409	1.0
257.22580	5.6
259.09625	19.6
259.20660	0.9
260.10052	2.2
267.20972	0.9
295.24179	2.5
297.25699	1.4
313.25458	1.0
329.21008	1.0
350.08157	0.8
353.28348	1.4
365.28424	1.6
379.33420	1.0
403.14029	3.7
403.33640	4.3
421.34644	72.4
422.34964	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	421.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05496	7.4
55.65785	0.3
57.07059	2.2
65.03907	1.1
67.05491	10.2
69.03415	1.1
69.07056	8.3
69.96808	2.2
70.06553	0.4
71.04967	1.5
71.08612	0.4
75.88567	0.3
77.03918	0.7
79.05480	12.5
81.07038	24.7
83.04955	1.4
83.08610	4.4
85.02951	0.4
85.06535	0.7
91.05461	18.2
93.07025	28.5
94.07352	0.4
95.04945	5.4
95.08588	28.6
96.08923	0.5
97.02858	1.3
97.06487	1.4
97.10134	1.9
98.09658	0.3
99.04415	0.5
102.82486	0.4
103.05456	1.4
105.07008	34.2
106.07275	1.0
107.04913	1.2
107.08569	32.8
108.08843	0.6
109.06514	2.4
109.10135	14.9
111.04443	3.6
111.08045	1.0
111.11681	0.5
113.05993	2.5
115.05405	1.3
116.06220	0.7
117.06992	8.5
119.08558	46.0
120.08910	1.2
121.06499	2.2
121.10120	40.9
122.10476	1.0
123.08054	2.4
123.11680	7.4
125.05951	0.7
125.09600	1.4
128.06184	2.1
129.06969	7.0
130.07797	2.0
131.08540	32.8
132.08932	0.6
133.06471	1.4
133.10104	27.8
134.10487	0.7
135.08046	1.7
135.11664	13.7
137.09612	1.9
137.13205	1.3
139.07506	1.6
139.11176	1.1
141.06960	1.7
142.07719	2.6
143.08533	13.1
144.09317	2.9
145.06464	1.0
145.10095	52.7
146.10490	1.9
147.08038	2.3
147.11659	14.8
148.12021	0.4
149.05952	0.6
149.09621	1.0
149.13222	5.5
151.07504	1.5
151.11151	0.7
151.14848	0.5
153.09056	1.6
154.07835	0.6
155.08527	3.4
156.09290	2.2
157.10100	14.1
158.07234	0.4
158.10886	3.5
159.08043	3.4
159.11662	27.1
160.12140	0.7
161.09605	3.3
161.11861	0.7
161.13226	13.4
162.13522	0.5
163.07500	1.9
163.11128	0.8
163.14787	4.2
165.09076	2.6
165.13042	0.4
167.08513	0.7
167.10619	0.7
168.09227	0.6
169.10091	5.2
170.10875	2.6
171.11655	16.2
172.12450	2.8
173.09601	1.3
173.13226	27.9
174.13847	1.1
174.55931	0.4
175.11191	1.6
175.14792	24.1
176.15102	0.7
177.09128	1.4
177.12726	0.8
177.16350	4.0
179.10628	2.0
181.10074	1.4
181.12201	0.5
182.10924	0.7
183.11653	5.7
184.12430	0.9
185.09633	0.8
185.13220	16.4
186.13922	1.5
187.14783	100.0
188.15160	5.2
189.09178	0.4
189.12709	1.2
189.16339	11.8
190.16673	0.5
191.10609	0.9
191.54446	0.4
193.12216	1.0
193.15849	1.0
195.11682	1.7
196.12379	0.6
197.13206	6.2
198.13991	0.8
199.14781	22.5
200.15376	1.6
201.16347	24.8
202.16711	1.5
203.10590	0.7
203.14339	1.3
203.17924	2.8
205.12186	2.3
205.15752	0.6
206.05733	0.5
207.11766	0.7
207.13765	1.4
209.09517	0.4
209.13213	2.1
209.15096	0.5
210.13983	0.6
211.14781	5.1
212.15396	0.7
213.16330	22.4
214.17102	8.6
215.14363	1.2
215.17894	17.0
216.18208	0.5
216.90572	0.3
217.12146	0.7
217.15863	0.7
217.19551	0.7
219.11830	0.4
219.13777	1.7
221.15376	1.4
223.14749	1.1
224.15384	0.7
225.16344	3.2
226.16890	0.5
227.17877	5.6
228.18611	0.5
229.15852	2.5
229.19472	2.9
231.13742	1.3
231.17387	0.5
233.15300	1.7
235.14714	0.4
237.16429	1.3
239.17902	3.6
241.19478	6.9
242.19815	0.5
243.20978	1.9
245.15364	1.6
247.17009	2.5
251.17924	1.5
253.19426	3.8
254.20184	0.5
255.17120	0.6
255.21065	4.6
256.21555	0.8
259.16898	1.2
261.16238	0.5
265.19479	1.4
267.21011	8.2
268.21393	0.9
269.22601	1.6
279.21121	0.9
281.22540	1.1
285.18497	0.6
287.20163	0.5
291.21292	0.6
293.22400	0.5
295.24097	0.9
297.18573	1.0
299.20059	1.0
306.66110	0.4
307.24100	0.6
309.25729	5.5
310.26346	1.5
311.20181	0.9
313.21652	0.5
319.24225	0.9
321.25668	0.7
323.27255	0.8
325.21506	0.6
327.23059	0.7
327.58044	0.4
329.21078	2.8
333.25653	0.5
337.21674	0.7
339.23199	0.6
351.23059	0.8
365.24817	0.6
375.30460	5.5
376.30786	0.7
377.32065	1.4
379.26230	0.7
385.23660	0.4
385.28513	0.6
393.31454	1.5
403.24823	2.0
403.29987	2.7
421.26501	3.9
421.30923	95.0
422.25793	0.7
422.31299	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	421.2576
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03933	4.7
55.01865	9.5
55.05273	1.9
55.05508	24.0
57.03424	10.6
57.07063	4.0
60.28421	1.7
61.02934	2.4
65.03922	3.8
67.05492	59.4
69.03411	7.5
69.07062	24.9
70.06577	3.1
71.04986	6.4
71.79613	3.4
79.05477	42.7
81.03403	17.4
81.07039	56.7
83.04967	8.8
83.08614	16.5
85.02898	3.2
85.06535	3.8
88.07584	3.0
91.05463	52.1
93.07029	45.2
95.04951	65.9
95.08588	47.7
97.06523	6.5
97.10156	13.7
99.08068	2.6
102.09180	2.1
103.05464	2.0
105.07008	41.4
107.04933	22.3
107.08580	34.8
109.06527	9.7
109.10133	37.6
111.08083	4.6
115.05407	2.5
117.06989	21.4
119.04950	3.1
119.08562	37.7
121.06491	25.8
121.10111	22.5
123.08054	9.4
123.11704	7.1
125.09586	12.8
127.11121	2.7
128.06200	5.1
129.06981	18.4
131.04903	4.0
131.08537	29.9
133.06503	8.8
133.10120	20.6
135.04346	2.4
135.08034	11.2
135.11676	12.8
137.05879	2.6
137.09584	8.7
137.13281	1.8
139.11168	3.1
141.06976	5.9
142.07704	2.2
143.08563	16.2
144.09323	2.3
145.06493	6.1
145.10094	26.2
147.04448	2.0
147.08022	9.7
147.11641	12.6
149.02286	9.9
149.09634	7.2
149.13243	7.7
153.09102	2.7
155.08549	6.9
156.09317	3.3
157.06456	3.7
157.10115	18.5
158.72752	1.9
159.08015	6.3
159.11665	22.6
161.09607	10.7
161.13240	8.8
163.11162	10.7
163.14821	3.4
165.07016	2.0
167.08585	3.7
169.06442	2.4
169.10124	9.8
171.07985	4.0
171.11630	13.1
173.09583	3.7
173.11890	3.5
173.13274	11.6
175.11134	10.9
175.14790	7.2
177.12709	5.7
177.16273	2.3
181.10115	3.7
183.11679	11.0
185.09576	5.2
185.13234	9.7
187.11206	6.6
187.14728	15.0
189.09105	8.0
189.11174	9.0
189.12735	4.1
189.16388	5.2
191.14342	2.6
191.17908	10.8
193.04929	12.3
193.10573	2.5
193.12263	8.2
195.11708	6.0
197.13196	4.4
199.11163	3.7
199.14835	7.7
201.12724	4.2
201.16325	9.1
203.10678	8.9
203.12744	5.1
203.14423	4.1
203.17912	3.5
205.12184	5.7
209.13268	4.5
211.14824	6.6
213.12827	4.6
213.16400	5.6
215.14330	3.8
215.17944	3.2
219.13786	3.7
223.13223	3.9
227.17963	4.1
229.15947	2.6
231.13853	4.5
231.17413	8.2
233.15398	2.6
239.18121	2.2
249.14740	9.3
255.21301	2.0
256.26297	3.7
257.15390	2.5
279.99954	2.2
283.20462	2.7
287.16528	1.9
293.19119	3.6
301.21753	4.9
311.20062	16.2
317.49231	1.9
319.23001	2.1
329.21036	90.3
330.21332	4.1
347.22040	15.0
349.21445	2.1
365.23465	2.8
367.22534	3.1
385.23615	5.5
403.24747	69.4
403.29507	4.8
403.69595	1.8
404.25085	3.2
421.25867	100.0
421.30801	14.5
421.35831	16.5
422.29813	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	421.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01850	1.3
55.05488	0.9
57.03411	1.9
60.05637	4.4
61.02913	0.4
67.05497	1.1
68.05006	1.2
68.26001	0.4
69.03413	2.1
69.06716	0.7
69.07056	7.0
70.06576	1.1
71.71239	0.7
72.08141	10.0
73.02888	0.6
79.05480	6.6
80.77714	0.5
81.03405	0.7
81.07003	1.6
82.06541	0.5
84.04345	0.4
85.02866	1.4
85.06500	0.8
89.03881	0.8
91.05481	0.5
93.07023	0.7
95.04942	1.4
95.08579	0.6
96.08115	9.0
97.02885	0.6
97.06513	29.8
97.07613	2.5
97.08889	2.0
98.06020	0.8
98.06832	0.7
102.79926	0.5
106.76405	0.4
107.04932	1.1
107.08566	0.5
107.34009	0.5
109.02869	0.9
111.08059	1.5
112.08836	1.9
114.10266	13.5
115.08671	1.4
117.03379	1.3
119.08591	0.8
127.03930	0.6
129.06905	0.5
129.09090	0.8
131.08554	0.9
131.12903	6.8
133.02797	0.8
133.10138	0.4
135.04387	1.9
136.11234	0.5
137.05969	1.1
141.06943	0.5
145.02853	2.4
147.04343	1.3
157.06366	0.5
157.10841	2.1
159.04382	4.4
159.08098	0.9
161.02318	8.5
161.05998	1.1
163.03880	20.8
167.07095	0.6
167.08487	0.9
169.06439	1.3
173.02315	21.5
174.06737	0.5
175.07486	0.8
185.05977	4.0
185.09521	0.7
187.07523	1.0
188.08247	0.5
189.09088	1.2
195.08029	1.8
197.05951	1.4
199.07506	2.0
203.06955	1.1
213.09100	2.4
215.06992	37.8
216.07321	2.5
223.07610	0.9
231.10159	1.4
232.09583	0.5
241.08572	10.7
242.08875	0.5
244.07310	2.2
258.11237	1.1
259.09610	37.6
260.09946	2.8
273.11194	2.6
274.11823	0.6
283.10803	0.7
287.05469	1.0
288.05942	0.9
289.05914	2.3
291.12170	2.0
329.18469	3.1
330.16815	0.8
343.20108	0.5
354.18076	5.9
371.20731	6.9
372.19412	1.6
389.21741	13.1
390.21899	0.8
403.14926	0.7
403.23267	1.3
415.27454	0.5
421.24384	100.0
422.24564	8.9
444.01199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05506	2.4
55.75006	0.3
65.03934	0.3
67.05495	5.0
68.05008	2.1
69.07066	1.6
69.67844	2.4
70.06584	3.0
79.05482	6.1
80.05007	0.8
81.05785	2.2
81.07039	3.2
82.06575	0.4
83.04967	1.8
83.08617	0.4
84.08140	1.7
88.03971	1.2
91.05463	2.1
91.90889	0.3
93.07031	4.0
94.04237	0.3
94.06548	2.5
95.04949	1.0
95.08599	3.0
96.08116	19.6
97.10146	0.3
98.20696	0.6
107.08568	1.9
109.10143	1.1
114.09149	100.0
115.09517	1.4
117.06965	0.6
119.08564	1.2
121.10115	1.3
131.08513	1.0
133.10097	0.7
135.11655	0.8
140.07031	1.7
142.08615	7.0
145.10104	1.5
147.11652	0.4
149.13242	0.3
159.08028	0.3
159.11664	0.7
160.09666	85.4
161.09966	1.4
171.11673	0.4
173.13179	0.5
174.41727	0.3
185.13184	0.6
187.14761	1.7
201.16345	0.2
215.17973	0.3
327.82983	0.3
374.30429	5.7
420.31015	72.0
421.25735	0.4
421.31165	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.44557	1.2
55.01867	6.4
56.36076	1.1
57.03427	15.4
58.18154	1.2
59.04990	2.7
61.02921	12.9
65.03922	1.7
69.03085	2.0
69.03423	26.4
70.06578	3.2
70.60797	1.1
70.61135	4.7
71.01341	4.2
72.08147	1.6
73.02905	78.5
81.03394	6.0
81.07053	1.1
84.04486	1.8
85.02892	61.5
85.06588	1.2
87.04457	3.3
91.03977	2.8
91.05468	100.0
91.41080	1.1
92.05789	1.8
95.04935	1.8
96.04502	1.5
97.02881	58.4
98.03221	1.7
99.04443	4.0
100.44292	1.1
103.03935	1.3
105.03415	1.3
105.07001	5.6
109.02858	5.3
114.09187	2.2
115.03915	28.4
117.07009	2.1
117.70129	1.2
118.79784	1.1
127.03893	22.3
128.07069	1.1
129.06989	3.9
131.08566	1.5
133.04948	27.6
133.06435	6.8
137.05949	7.4
139.03912	2.1
145.04933	30.8
145.06451	4.7
150.07584	3.4
157.06453	3.4
159.08041	1.8
161.04456	3.4
163.06000	11.4
167.07062	1.8
171.08052	1.5
175.07510	2.0
181.04878	1.8
187.07578	2.5
193.04968	1.5
205.08611	4.5
217.08620	2.8
223.06003	4.7
226.51852	1.3
235.09544	2.5
241.06963	7.0
253.10646	4.9
258.08115	2.4
259.08087	11.5
259.24567	1.2
265.43878	1.2
271.11819	1.3
277.09308	2.2
295.10168	4.1
420.18719	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33776	0.3
51.44868	0.3
52.80038	0.3
53.03917	0.6
55.01837	0.7
55.05503	2.0
57.03407	0.6
57.07050	0.6
61.02890	0.8
61.15359	0.4
67.05487	2.6
69.03426	3.0
69.07037	1.6
71.04951	1.2
71.79855	0.5
73.06519	0.9
77.03918	0.5
79.05480	3.3
81.03377	1.5
81.06601	0.5
81.07036	6.5
83.04944	0.7
83.08582	1.4
85.02885	6.3
91.05458	3.1
93.07024	21.6
94.07325	0.9
95.04927	1.3
95.08598	4.5
97.02857	1.5
97.06519	2.1
97.10098	0.4
105.07007	7.3
107.04903	1.5
107.08569	8.7
108.08884	0.6
109.02835	0.8
109.06475	1.1
109.10136	2.3
109.59815	0.5
109.81905	0.4
111.04375	0.4
111.08020	1.5
117.06976	1.0
119.08550	4.2
120.08875	0.6
121.06479	5.8
121.10126	9.7
122.10481	0.4
123.11668	1.2
125.05968	1.9
127.03863	1.6
131.08519	0.9
131.85027	0.4
132.45430	0.5
133.10089	1.6
135.08069	0.8
135.11662	20.3
136.11995	0.7
137.13202	1.7
139.07503	5.7
143.08469	0.4
145.04913	1.5
145.10085	7.7
147.07974	0.6
147.11641	3.1
149.05948	2.7
149.09566	2.1
149.13226	1.2
151.07483	1.1
153.09044	1.8
156.09341	0.4
157.10077	0.7
159.11633	0.8
161.09589	1.0
161.13174	0.4
162.10339	0.5
163.03960	1.0
163.11163	13.2
164.11526	0.7
167.07021	2.9
167.10756	0.4
168.07307	0.4
171.11607	0.7
173.09576	1.3
173.74815	0.4
180.08678	2.5
181.05019	0.5
181.08571	1.9
181.12196	1.7
185.13286	0.7
187.14708	0.5
191.10637	12.1
191.12416	0.7
192.10957	0.8
195.13792	0.6
201.16336	0.5
204.61601	0.5
205.19431	2.0
209.11685	100.0
210.08272	0.4
210.12019	4.8
213.16325	0.7
215.07016	0.5
217.15665	0.4
223.13246	67.6
224.13541	3.4
227.12669	5.8
241.14290	9.6
242.14581	0.5
245.81924	0.5
250.14354	4.7
252.18442	0.4
259.09579	1.9
297.86765	0.4
329.21075	1.1
403.24847	0.7
420.33301	3.8
421.25934	1.3
421.34607	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	420.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
57.03418	1.5
69.03415	2.3
69.07040	1.5
70.06581	5.3
70.77635	2.6
70.78040	2.1
72.08145	2.2
81.03384	1.1
82.06574	1.9
84.04484	2.6
84.08118	5.5
85.02867	3.4
86.06057	2.9
86.09679	3.9
87.04430	1.3
95.04937	1.7
97.02872	1.9
98.97603	1.1
99.04453	1.4
104.37834	1.1
107.04944	20.3
109.02796	1.1
110.07152	1.1
111.02136	1.2
114.09158	5.4
116.01612	1.2
116.07104	1.7
117.06998	1.2
118.05824	1.6
118.06538	13.5
118.07304	2.0
121.03748	1.1
122.02348	2.4
123.04379	4.0
125.07101	1.3
127.02129	1.6
127.03891	1.8
128.07072	2.0
130.05017	1.2
130.06517	2.7
130.08627	1.3
132.08052	4.6
137.05925	1.2
139.03868	2.2
140.03397	1.4
141.01807	1.7
143.07253	2.0
144.08066	10.3
146.05989	59.9
147.04279	1.5
147.06267	1.6
159.09180	7.8
160.07602	1.3
163.03922	1.6
170.06126	5.8
170.08138	2.2
177.05476	1.8
188.07040	100.0
189.07401	3.7
205.09705	41.7
206.10152	1.3
209.08070	5.8
216.08617	2.7
227.09042	2.2
250.10660	1.9
259.16464	2.0
270.84698	1.1
273.08936	3.4
284.07776	1.4
402.15244	1.1
420.14746	1.7
420.20520	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	420.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.9
53.03938	3.2
54.19050	0.5
56.36088	0.5
57.03432	2.7
60.33083	0.5
69.03417	12.1
70.06571	1.3
71.04979	1.0
71.47401	1.4
73.02905	0.5
78.03439	7.8
79.04202	0.5
80.05003	2.0
81.03403	15.2
84.08111	0.6
85.02895	8.0
87.04430	1.2
96.04469	3.5
97.02867	4.9
99.04440	3.7
104.01913	0.5
105.07016	2.6
105.60123	0.5
106.02898	43.8
107.03241	0.9
107.04926	1.1
108.04434	0.7
109.02856	8.9
109.10394	0.5
114.09140	1.6
115.05453	0.6
117.05505	1.2
122.02350	3.6
124.03931	100.0
125.04304	1.0
127.03921	4.8
130.08650	0.8
133.06528	2.9
136.03918	16.2
136.04976	0.8
139.03836	0.6
140.03345	2.6
154.04967	5.3
161.05957	5.7
166.04979	1.2
167.07048	0.7
193.08569	4.0
203.06976	0.8
205.08655	0.8
205.35864	0.5
207.06468	0.7
219.06519	0.7
232.05923	2.6
250.07071	14.6
251.09172	1.0
252.12291	3.3
268.08115	68.2
269.08395	2.2
280.08160	2.6
284.07629	1.9
298.09103	2.1
307.08011	1.9
385.11191	1.5
388.85117	0.5
420.15250	14.7
420.21130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01847	0.7
56.05025	0.7
57.03434	2.2
67.05489	0.3
69.03401	1.1
70.06195	0.7
70.06579	10.4
70.08511	2.2
71.01351	0.3
71.25359	0.3
72.08136	1.3
73.02874	0.6
74.09702	0.5
75.04462	1.4
79.05463	0.8
81.03393	1.2
81.07041	0.9
82.06588	0.5
83.04960	0.4
84.04490	1.3
84.08105	0.9
85.02890	4.0
86.06019	0.6
86.09692	1.5
86.85625	0.3
91.05458	0.4
93.07014	0.5
94.06518	0.4
95.01318	2.2
95.04922	0.8
96.08116	1.2
97.02885	1.2
99.00814	0.4
101.02375	1.6
107.04937	100.0
108.05268	1.9
109.02860	0.7
110.07140	0.5
113.02346	1.0
114.09160	1.3
116.07092	0.6
119.10508	0.3
121.06471	0.5
122.03183	0.5
123.04416	0.7
123.11712	1.1
124.07571	0.6
126.09138	0.9
127.03876	1.0
130.08612	2.3
131.03386	0.6
131.04945	0.4
135.04419	0.6
136.07468	0.5
137.05928	0.9
138.05461	0.5
138.09164	0.5
139.03870	3.6
141.01794	5.0
141.05441	0.5
145.04958	0.7
146.08133	0.4
147.04393	0.7
149.05962	0.8
152.07024	0.6
153.05452	6.3
159.02937	0.7
161.06004	0.5
163.03923	1.5
167.07028	0.9
173.06012	0.4
177.05466	5.1
177.09032	0.6
179.07120	0.5
184.25526	0.4
188.26283	0.4
209.08055	38.6
210.08398	1.2
221.08092	1.5
223.13240	2.0
227.09102	20.2
234.11194	0.4
241.14337	1.1
258.13412	1.4
259.33609	0.3
275.14999	0.3
299.27148	0.4
307.12457	0.4
367.10278	0.5
371.11099	0.5
385.11099	2.0
402.15472	5.1
420.16986	2.0
420.23856	1.0
421.16983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2633
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.03944	3.3
55.01865	6.6
55.05503	10.0
57.07057	5.2
59.45927	2.6
65.03938	3.9
67.05482	8.7
69.03416	6.3
69.07044	9.0
70.06569	3.0
70.39924	11.2
71.04986	13.2
73.06522	3.0
79.05486	21.3
81.07043	95.2
83.04993	3.6
83.08603	5.2
85.02890	9.2
85.06546	3.6
89.12073	2.8
91.05460	10.5
93.07025	34.5
95.04946	5.8
95.08604	23.7
97.06510	7.8
99.08059	4.9
101.37868	2.8
104.28658	3.0
105.07018	26.8
107.04955	8.0
107.08582	51.0
107.70419	2.8
109.06498	3.1
109.10143	24.9
117.06997	5.8
119.08558	35.2
121.10123	10.4
123.11697	20.3
125.09633	5.6
127.11167	18.1
129.07013	4.6
131.08540	7.2
133.10114	28.8
135.11671	100.0
137.13248	8.2
139.11160	5.6
143.08653	6.1
143.10663	25.6
145.10114	5.2
147.11693	19.2
149.05957	3.2
149.13264	4.1
153.12680	2.9
157.10077	5.5
159.08044	6.4
159.11726	5.4
161.05925	3.9
161.13216	16.9
163.07619	3.6
163.14804	6.1
167.07034	25.7
168.07359	5.2
173.05936	3.1
175.14729	2.6
177.05429	5.0
181.04939	15.2
186.42731	2.8
191.06981	8.4
203.17928	63.7
204.18224	5.0
205.08545	4.5
209.08075	8.8
217.08612	5.2
218.96138	2.8
219.10149	4.3
221.16994	5.3
221.18991	71.7
222.19333	3.6
239.20027	9.0
249.11166	5.1
253.18222	2.7
315.08441	15.9
323.12738	3.4
330.10922	19.6
345.38953	2.5
351.12177	4.1
369.13174	4.0
383.10620	2.6
383.14926	3.5
386.14288	2.9
394.56790	3.0
401.15903	5.1
419.16092	3.6
419.23959	3.1
419.32748	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	419.33
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
53.03928	1.1
55.05508	5.5
57.07064	1.9
64.01530	0.7
65.03927	1.7
67.05490	10.3
69.03419	1.1
69.06735	0.7
69.07063	9.7
71.04946	0.8
79.05480	8.9
81.06593	1.1
81.07047	16.1
83.04976	1.8
83.08607	3.6
91.05463	15.1
93.07026	12.8
95.04953	2.2
95.08595	19.2
97.06470	0.9
97.10141	1.3
105.07007	20.7
107.04912	0.9
107.08577	100.0
108.08898	2.6
109.06492	6.3
109.10136	16.3
115.35991	0.8
117.06990	3.3
118.40060	0.8
119.06112	1.4
119.08556	17.9
121.06518	3.7
121.10123	14.1
123.08095	1.2
123.11694	7.7
128.06197	1.5
129.06953	1.4
131.08543	7.2
133.06465	1.3
133.10109	12.2
135.08060	0.9
135.11676	12.0
137.13234	3.8
138.46669	0.8
143.08560	5.2
144.09302	1.0
145.06464	1.0
145.10104	10.2
147.08006	1.9
147.11661	7.7
149.09604	3.3
149.13278	5.0
151.11104	1.0
155.08495	2.2
156.09312	1.8
157.10089	6.9
159.07991	1.6
159.11681	11.4
161.09576	1.4
161.13249	7.0
163.14819	2.4
165.60048	0.7
168.09325	1.1
169.10138	4.1
170.10857	0.9
171.11639	7.7
173.09676	1.5
173.13235	5.8
175.11208	2.3
175.14781	4.7
177.16360	2.5
179.08481	0.9
181.10075	1.7
182.10970	1.1
183.11638	5.1
185.13260	5.2
187.11232	1.0
187.14774	9.2
189.12712	0.9
189.16373	5.7
191.17891	2.4
193.10106	0.9
195.11710	2.5
196.12482	1.0
197.13219	6.1
199.14807	5.5
201.12653	0.9
201.16304	4.5
203.17975	2.2
207.11618	1.5
209.13289	2.6
211.14821	4.6
213.12813	1.8
213.16415	6.1
215.14272	2.3
215.18008	3.0
217.19531	1.1
221.13225	1.5
223.14735	3.5
225.12727	1.2
225.16425	4.2
227.14323	1.5
227.17972	2.3
229.15938	2.7
229.19443	1.3
231.17513	0.9
233.13141	1.3
235.14760	1.7
237.16330	2.5
239.18013	2.6
241.15871	1.1
241.19531	1.6
243.17502	0.8
243.20973	3.7
247.14851	1.2
249.16380	1.5
251.17920	1.7
253.15889	0.9
253.19591	3.9
255.21091	3.3
261.16278	0.8
263.17944	1.7
265.19485	2.1
267.21106	1.6
269.19025	0.9
269.22549	1.1
279.21005	2.6
281.19043	1.9
281.22632	1.5
283.20630	2.1
285.22293	0.9
293.22586	1.0
295.20569	1.6
297.22104	1.7
305.22519	1.2
307.17477	1.0
307.20914	1.1
323.23538	1.0
335.23581	0.9
345.25760	1.5
363.26678	4.8
375.30399	2.4
391.33597	2.4
401.31912	11.4
402.32437	1.4
419.33047	81.4
420.33356	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	419.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66723	1.9
54.14383	2.5
55.01857	5.0
67.05476	3.0
70.06573	3.3
70.18841	3.3
70.19258	10.0
72.08195	2.2
78.16623	2.0
79.05486	9.6
81.03407	6.2
81.07040	3.4
85.02884	2.8
91.05470	6.2
93.07034	2.5
95.04957	4.7
95.08570	2.4
100.39825	2.0
103.05430	5.8
105.07000	6.6
107.04942	16.0
114.10287	2.9
117.06990	5.7
121.06556	2.8
123.04411	8.2
124.05177	2.4
125.05977	3.1
127.03938	2.1
129.06973	4.3
131.04900	5.4
131.08537	6.5
133.06442	4.0
137.05936	4.1
141.06984	3.4
144.05687	3.6
145.06488	10.0
148.05157	2.5
149.05974	2.9
151.03876	2.0
153.05463	2.9
156.05659	3.5
159.08034	12.4
161.05956	4.2
163.03864	4.3
163.07544	4.9
167.07027	66.8
168.07318	3.2
172.05095	3.5
173.06015	11.1
175.07523	3.0
177.05437	7.6
177.72009	2.0
181.04955	21.2
183.06508	6.1
184.05171	2.3
187.07481	5.9
190.06288	5.1
191.06996	17.3
193.08493	4.9
204.07603	2.0
205.08582	14.8
208.05171	13.1
208.99413	2.3
209.08044	7.2
210.14856	3.2
217.08580	18.8
219.08012	2.8
219.10136	6.4
220.08810	2.0
231.10182	4.6
233.05907	2.0
235.07573	2.5
235.09657	3.5
236.04680	8.5
241.08543	3.1
247.07399	6.4
247.09685	10.9
248.08235	3.2
249.11255	22.2
250.06073	2.1
254.05771	8.2
263.07028	2.5
264.04333	2.2
264.07684	5.9
267.06454	3.0
269.08029	20.7
271.09665	3.8
272.06580	3.8
276.07758	3.7
277.08713	2.5
282.05405	3.9
282.08792	5.4
287.09109	3.1
290.09329	3.3
291.10144	5.6
293.07971	4.2
297.07510	3.2
300.06473	3.2
307.09616	5.4
310.08350	3.4
311.12744	2.2
315.08582	70.8
316.09149	4.9
319.09702	3.3
323.12686	4.9
330.10950	100.0
331.11337	5.8
337.10739	3.6
339.12311	5.6
343.08145	2.1
343.11813	8.6
351.12296	11.4
358.20230	3.3
369.13300	12.5
371.14954	3.8
383.14975	19.1
401.16119	16.8
402.62985	2.1
419.16803	4.0
419.22241	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	419.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01867	14.8
57.03425	1.4
61.02916	2.1
65.03933	2.7
67.05481	3.3
68.99773	1.2
69.03410	2.2
69.07047	0.8
70.06569	2.6
71.01308	0.9
71.04980	0.7
71.79832	0.8
71.80221	0.8
72.08128	1.2
73.02909	15.4
79.05494	4.5
81.03397	1.7
81.07034	2.1
82.04198	0.7
83.04974	1.2
85.02891	5.0
85.06528	1.0
86.09699	1.0
89.03871	1.0
91.05467	4.5
93.07033	2.5
95.04964	3.8
95.08601	2.2
97.02898	1.0
97.06526	2.0
99.04444	1.5
103.05461	7.8
105.03384	1.4
105.07028	6.0
107.04959	6.5
107.08585	2.5
109.02865	1.3
109.06474	1.0
109.10149	1.7
110.03636	1.7
111.04421	1.6
113.65089	0.8
114.10277	0.8
115.03913	1.2
115.05431	2.6
117.07003	2.3
118.04167	1.1
119.08581	1.8
121.02866	3.1
121.06496	2.9
121.10172	0.8
123.04431	4.4
123.07979	0.8
124.05201	1.9
125.05972	1.5
127.03854	1.1
128.06219	1.1
129.06950	4.9
130.04129	1.0
130.08630	4.1
131.04938	6.9
131.08548	3.5
132.05666	0.8
133.02879	1.6
133.06456	4.7
133.10191	1.0
135.08041	1.2
137.02353	1.0
137.05984	2.5
138.03046	0.9
139.03941	1.1
140.04643	1.3
141.06982	2.2
142.02588	1.5
142.07747	0.8
143.04842	1.0
143.08522	0.9
144.05687	2.5
145.06468	3.1
147.04407	2.3
147.11681	1.1
148.05141	3.8
149.02179	1.0
149.05989	5.6
152.04640	1.1
153.01817	4.5
153.05469	1.8
155.07008	1.0
157.06480	2.3
159.04358	0.9
159.08057	7.3
159.11694	0.9
161.05968	4.5
161.09668	1.0
163.03833	1.0
163.07541	6.1
165.01855	1.7
167.07021	33.6
168.07277	1.4
169.06461	0.8
170.07213	0.8
171.06491	3.7
173.05957	3.1
173.09641	0.8
175.07498	1.7
176.04694	0.7
177.05452	15.9
181.04939	34.1
181.08531	1.4
182.05325	1.6
183.02950	0.9
183.06540	6.6
186.06735	0.9
187.07564	5.2
189.07066	1.3
189.08987	1.4
190.06183	0.7
191.07011	32.4
192.07578	1.4
193.08534	4.3
195.08156	0.9
203.07031	1.4
204.07788	1.3
205.06787	1.4
205.08546	5.8
206.07245	0.8
207.10173	1.2
208.05217	1.9
209.08067	25.8
210.08466	0.8
211.07428	0.9
213.05415	0.9
217.08571	5.1
218.09354	1.5
219.08173	1.4
219.09993	4.2
221.06042	0.9
221.08073	2.4
231.08121	0.9
231.10175	1.6
235.07463	1.3
235.09639	1.8
236.04779	1.6
241.08559	0.9
247.07477	1.7
247.09740	3.7
249.09218	1.1
249.11205	20.5
250.11586	0.9
254.05713	1.1
258.05096	1.5
263.06952	1.8
263.10669	1.0
264.07822	1.1
265.10638	2.9
267.06342	0.9
268.10675	0.7
269.08069	2.8
277.08420	1.0
279.10077	1.1
282.05426	0.9
282.08597	1.7
287.05478	100.0
288.05759	8.5
291.06857	0.8
291.10077	1.2
292.07184	0.9
293.07990	1.9
295.09543	1.4
307.09756	2.5
308.10440	1.0
315.08548	9.8
316.08957	0.9
323.12732	2.2
330.10931	13.5
331.11502	0.9
337.10843	0.9
339.12302	1.3
343.11557	1.7
351.12225	3.3
355.11371	1.1
369.13425	4.0
383.14783	3.0
389.15872	1.5
401.15973	13.8
419.16779	5.9
419.22818	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	419.0967
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.89477	0.3
55.01859	1.9
57.03406	0.8
59.04979	0.4
61.02916	1.7
65.03921	0.4
67.05488	0.5
68.99777	0.6
69.03403	0.9
70.06561	0.5
71.01329	0.4
72.08150	0.3
73.02907	14.2
75.81872	0.3
79.05478	0.6
81.03397	0.7
81.07046	0.5
83.04993	0.3
85.02895	0.6
86.09668	0.3
91.05454	0.8
95.04947	1.0
97.02876	0.4
98.21447	0.6
99.33331	0.3
103.05459	0.7
105.03381	0.5
105.07001	0.7
107.04922	1.0
107.08581	0.5
109.02896	0.3
109.10130	0.3
111.00785	0.6
114.10284	0.3
115.03905	0.9
115.05388	0.4
119.04933	0.4
121.02859	2.0
121.06496	0.5
123.04373	0.8
129.07018	0.5
131.04898	0.6
131.08562	0.5
131.42702	0.3
133.02818	0.6
133.06474	0.5
135.04362	0.4
135.11705	0.5
137.02316	0.6
141.07022	0.3
143.08583	0.4
144.05702	0.6
145.06476	0.8
147.04367	0.5
147.11742	0.3
148.05139	0.4
149.05949	0.6
153.01810	3.3
157.06490	0.5
159.08018	0.7
161.05933	0.5
163.07513	0.7
165.01814	1.2
167.07019	4.4
171.04324	0.5
171.06552	0.4
171.07939	0.3
173.05986	0.5
177.05466	1.1
181.04942	3.4
181.08530	0.3
183.02849	0.8
183.06546	0.9
185.05878	0.4
187.07520	0.7
191.07013	3.4
192.07782	0.3
193.08607	0.3
203.07120	0.3
205.08548	0.7
209.08055	2.9
213.05481	1.1
217.08472	0.4
219.10126	0.8
221.08101	0.5
231.06502	0.5
231.10063	0.3
241.04968	0.8
247.09506	0.4
249.09305	0.3
249.11229	2.5
258.05267	1.2
287.05457	100.0
288.05798	6.9
315.08517	1.1
330.10913	0.8
369.13339	0.8
375.13501	0.4
389.15521	0.3
401.16098	2.0
419.16724	1.0
419.22287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99716	0.7
51.26807	0.7
55.01862	2.2
55.05505	4.9
57.03421	4.5
57.13531	0.7
58.06590	0.9
59.19912	0.7
65.03930	2.4
67.05486	1.5
68.54597	0.7
69.03398	3.8
69.07053	0.6
69.68252	1.1
69.68653	5.2
70.06581	2.4
71.01359	1.1
71.04995	1.9
72.08144	2.7
73.02916	0.8
73.06538	1.8
75.04473	2.3
79.05486	2.5
81.03407	2.0
81.07070	1.2
82.09991	0.7
84.08100	0.9
85.02893	11.0
86.09695	3.1
87.04469	1.5
91.05470	100.0
91.07587	2.1
92.05802	2.5
93.07045	3.2
95.04967	2.0
95.08594	1.4
97.02868	5.1
97.06568	1.1
99.00799	1.7
105.07023	2.9
107.04907	1.0
107.08607	2.9
108.08934	0.9
109.02825	1.5
109.10164	0.8
111.04478	0.8
113.02338	1.1
114.09161	8.0
114.10246	1.6
115.05447	1.5
117.03401	1.0
118.06529	2.0
119.04940	1.2
119.08595	1.5
121.02844	2.0
121.06461	1.3
122.10452	0.7
123.04424	2.0
127.03915	2.0
128.06183	1.3
128.07097	1.1
129.07039	1.4
130.06563	1.1
130.08658	0.8
131.03377	0.9
131.05020	0.8
131.08575	2.1
133.06418	1.1
135.04413	3.1
135.08028	0.7
135.11722	0.8
137.05974	8.0
139.03864	0.9
141.07043	0.9
143.07384	1.3
143.08456	0.8
143.10643	0.7
144.08087	1.4
145.02786	1.9
145.04924	0.8
145.06439	2.0
146.05983	2.6
149.02324	50.6
149.09576	5.2
150.09946	5.5
153.12764	1.4
154.06555	0.9
155.07181	1.1
156.08102	3.3
159.08049	1.2
160.07646	1.1
161.05994	2.6
163.03896	19.4
163.07550	0.7
167.07024	13.4
168.07269	6.8
170.05968	1.3
170.07259	1.6
170.09602	0.9
171.08026	1.6
172.07587	0.9
173.05951	1.6
174.06313	0.8
175.07553	1.9
177.05463	2.5
180.08066	1.0
181.04926	2.6
181.08589	0.9
182.05957	1.5
183.06622	2.9
184.07610	3.1
187.07466	0.9
188.07048	5.6
189.05368	0.9
193.08582	52.3
194.06119	0.9
194.09001	2.3
196.07587	1.2
200.07051	1.2
201.09079	0.9
202.08540	0.8
203.06979	2.4
203.18059	0.8
207.06633	0.9
208.07521	1.2
211.09624	18.1
212.07019	2.2
217.08614	1.5
218.09457	1.3
219.10127	4.3
221.08072	23.8
221.11482	1.1
222.08968	1.1
226.08644	1.6
230.08099	3.2
231.10231	3.0
234.08553	0.8
239.09100	1.1
249.11176	1.1
250.08621	1.5
254.08182	3.7
256.11850	1.5
268.09818	1.2
272.09198	1.1
296.09351	1.6
310.14322	1.5
337.10428	0.8
352.16272	0.9
369.13293	1.4
369.19427	1.0
382.09256	0.8
383.13583	1.8
388.14798	4.1
400.10379	0.9
401.16003	7.5
418.10928	1.1
418.15860	7.4
418.24634	4.1
419.23181	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	418.124
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06564	0.9
70.76012	2.9
72.08135	0.9
73.10546	0.7
86.09715	1.2
91.05447	1.1
105.07015	1.2
107.04925	1.9
116.09935	0.8
120.84232	0.7
122.40006	0.8
130.08615	2.3
140.04884	2.0
140.07047	1.5
154.06451	1.2
155.06036	15.0
166.06412	0.9
167.05952	4.2
168.06978	2.6
169.07590	26.3
170.05969	2.3
176.09178	1.0
179.06041	8.5
180.06737	1.1
181.05009	2.1
181.07620	2.5
182.06029	2.0
182.08362	1.6
183.05495	16.1
183.09167	2.2
185.07101	8.1
193.07591	10.8
194.06154	1.5
195.05524	20.9
196.06297	11.3
197.07103	19.0
198.05547	4.3
198.07216	1.0
199.05066	0.8
201.06509	2.0
207.05476	5.4
208.06160	2.2
209.07085	2.6
210.07822	1.5
211.05035	2.3
211.08664	4.2
213.06578	18.3
221.07076	18.0
222.07515	1.1
223.05026	1.9
225.06563	39.4
226.06921	1.9
227.08055	1.5
229.06079	15.4
230.06616	1.0
237.06555	4.9
238.07303	3.3
239.04422	2.2
239.08134	20.8
241.06110	3.7
243.07597	5.9
249.06546	7.9
253.06036	6.0
255.07701	2.3
256.08469	0.9
257.05499	5.6
265.06049	3.3
267.07629	15.5
269.05505	3.4
271.07129	28.7
277.06076	10.2
283.07126	1.8
285.08685	29.7
286.09119	1.3
295.07104	26.8
296.07578	1.4
312.09769	2.1
313.08142	34.8
314.08359	1.1
331.09232	9.7
340.09274	3.8
354.10785	3.3
358.10278	32.1
359.10706	1.0
364.09567	1.2
368.20764	1.5
372.11865	4.5
382.10309	6.1
400.11359	45.8
401.11496	1.6
418.12384	100.0
419.12689	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	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01855	1.2
55.05498	8.7
56.96548	1.0
57.03423	2.6
57.07045	2.3
59.04991	1.7
61.02900	0.8
65.03929	3.8
67.05490	11.3
69.03404	4.2
69.07060	9.3
70.06587	0.9
71.04984	21.5
71.79930	1.3
72.08156	1.0
73.06541	2.3
78.04692	3.1
79.05484	17.2
81.03403	2.2
81.07045	30.7
83.04968	2.9
83.08601	4.6
84.08116	2.0
85.02887	9.1
85.06541	6.1
86.09672	1.0
88.02857	0.8
88.32061	0.8
91.05461	14.5
93.06438	1.3
93.07030	22.8
95.04945	6.4
95.08594	27.2
95.98322	0.8
97.02853	1.5
97.06508	6.1
97.10167	3.2
99.04469	1.6
99.08076	10.1
103.05448	4.0
105.03397	1.3
105.07015	40.8
106.04172	2.1
106.07351	1.0
107.04980	6.6
107.08576	29.1
107.48980	0.8
109.06479	4.2
109.10148	16.3
109.80782	0.9
110.03631	0.9
111.08054	2.8
111.14760	0.9
115.05447	3.3
117.06988	7.0
117.09130	3.2
119.04939	1.6
119.08566	16.5
121.06475	1.2
121.10119	14.7
122.03596	1.0
123.04427	7.7
123.08074	1.6
123.11716	6.6
124.05208	2.9
125.05978	1.8
125.09612	20.9
125.10490	1.4
126.84661	1.0
127.03910	2.2
127.07542	3.0
127.11144	4.6
129.07037	0.9
131.04904	3.3
131.08542	9.7
133.06490	1.9
133.10110	62.0
134.10461	1.9
135.08057	1.9
135.11652	5.8
137.05959	2.0
137.09608	2.4
137.13304	1.2
139.11177	1.4
143.08578	1.9
143.10655	21.4
145.04991	1.2
145.06477	7.6
145.10121	10.5
147.08096	1.6
147.11684	14.0
148.05173	1.5
149.09604	3.0
149.13246	14.7
151.03906	1.8
151.07523	1.3
151.11122	5.0
152.04729	1.9
153.05414	1.4
155.05991	1.9
155.10646	1.6
157.10130	2.9
159.07999	1.2
159.11653	11.7
161.09633	1.6
161.13228	7.0
163.07555	3.2
163.11150	2.1
163.14842	1.7
165.09064	1.1
165.12813	1.5
167.07019	100.0
167.14284	36.8
167.15680	1.8
168.07347	3.9
168.14607	1.1
169.10136	2.0
169.12273	3.3
171.06519	3.1
171.11641	1.9
173.05969	13.4
173.09589	1.0
173.13271	2.8
175.14845	2.5
177.12677	1.6
177.16376	1.1
181.04935	37.0
182.05246	1.6
185.13231	2.6
187.11272	0.9
187.14900	1.3
189.09172	0.9
189.16296	1.1
191.07028	11.3
191.14539	1.0
191.17967	1.8
193.04874	1.1
195.06541	2.2
195.13815	2.0
199.14862	1.2
201.05518	1.0
201.12939	0.9
201.16370	10.2
203.17984	2.2
205.08594	2.4
209.08105	0.9
215.14258	1.3
217.08624	2.1
219.10382	1.3
219.17412	37.5
220.17732	1.5
225.16319	1.0
233.08070	7.8
235.09641	2.8
237.18483	8.2
237.58807	1.0
255.06415	1.1
255.15871	2.1
259.58398	1.6
267.06503	1.1
275.59729	1.5
297.10745	0.9
329.11356	1.2
341.11700	4.8
341.61707	1.1
355.26389	1.9
357.12811	2.4
369.28006	1.3
373.27255	6.0
381.28009	1.6
385.13107	0.9
387.14291	9.4
388.14795	2.2
399.29022	4.2
417.15479	35.4
417.29959	11.0
418.16019	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	417.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08599	1.0
53.03920	1.3
54.41655	0.8
55.01852	0.9
55.05492	4.1
57.03436	1.5
64.15038	0.8
65.03930	2.9
65.37309	1.0
65.58800	0.9
67.05500	5.8
69.03407	3.2
69.07049	4.3
69.95084	3.4
69.95517	2.8
71.04981	11.6
78.04686	2.6
79.05483	10.5
81.03398	1.2
81.04430	0.8
81.07036	14.3
82.62214	0.9
83.04967	1.0
83.08594	3.1
84.08118	3.0
85.02894	5.6
85.06538	2.5
91.05475	7.8
93.07030	12.7
95.04949	5.1
95.08601	14.7
97.02883	1.7
97.06529	3.7
99.04496	0.9
99.08068	5.0
103.05422	4.4
105.07012	17.4
106.04203	1.1
107.04948	5.3
107.08583	13.1
109.06537	2.8
109.10160	8.1
111.04460	1.1
115.05433	3.4
117.06985	6.2
117.12258	0.9
118.04160	1.7
119.08589	7.5
121.06467	1.5
121.10124	8.5
123.04429	7.2
123.08039	1.4
123.11691	3.5
124.05201	3.1
125.05980	1.8
125.09627	8.0
127.03899	1.9
127.07578	1.1
127.11181	2.0
127.98244	0.9
129.07030	1.1
131.04933	3.3
131.08510	4.4
133.10112	31.5
135.11682	2.9
137.05966	2.1
138.03082	1.0
143.08560	1.4
143.10674	8.1
145.06468	9.8
145.10121	6.1
147.02576	1.1
147.11687	6.6
148.05165	1.6
149.13246	8.0
151.03970	1.5
151.11165	2.0
152.04692	3.0
155.05992	2.1
157.10104	0.9
159.11676	4.8
161.09615	1.2
161.13240	3.2
163.07521	3.8
163.11197	1.0
163.14900	1.3
165.09149	1.1
167.07019	100.0
167.14282	19.5
168.07317	4.3
169.12312	0.9
171.06482	2.2
173.05936	14.6
173.13257	1.4
174.06323	0.9
175.14856	1.5
180.09476	1.1
181.04927	41.2
182.05289	2.4
189.16409	1.3
191.06993	12.1
195.06468	1.1
201.16345	5.9
202.36209	0.9
203.17853	1.3
205.08580	3.3
219.17395	14.4
220.17673	1.6
233.06038	0.9
233.08017	6.3
235.09666	3.6
237.18538	3.9
263.09277	2.1
373.27335	2.7
387.14325	13.9
388.14691	1.7
399.14624	1.4
399.28964	2.2
417.15479	39.1
417.20786	3.9
417.29907	5.7
418.15646	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	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01855	1.2
55.05498	8.7
56.96548	1.0
57.03423	2.6
57.07045	2.3
59.04991	1.7
61.02900	0.8
65.03929	3.8
67.05490	11.3
69.03404	4.2
69.07060	9.3
70.06587	0.9
71.04984	21.5
71.79930	1.3
72.08156	1.0
73.06541	2.3
78.04692	3.1
79.05484	17.2
81.03403	2.2
81.07045	30.7
83.04968	2.9
83.08601	4.6
84.08116	2.0
85.02887	9.1
85.06541	6.1
86.09672	1.0
88.02857	0.8
88.32061	0.8
91.05461	14.5
93.06438	1.3
93.07030	22.8
95.04945	6.4
95.08594	27.2
95.98322	0.8
97.02853	1.5
97.06508	6.1
97.10167	3.2
99.04469	1.6
99.08076	10.1
103.05448	4.0
105.03397	1.3
105.07015	40.8
106.04172	2.1
106.07351	1.0
107.04980	6.6
107.08576	29.1
107.48980	0.8
109.06479	4.2
109.10148	16.3
109.80782	0.9
110.03631	0.9
111.08054	2.8
111.14760	0.9
115.05447	3.3
117.06988	7.0
117.09130	3.2
119.04939	1.6
119.08566	16.5
121.06475	1.2
121.10119	14.7
122.03596	1.0
123.04427	7.7
123.08074	1.6
123.11716	6.6
124.05208	2.9
125.05978	1.8
125.09612	20.9
125.10490	1.4
126.84661	1.0
127.03910	2.2
127.07542	3.0
127.11144	4.6
129.07037	0.9
131.04904	3.3
131.08542	9.7
133.06490	1.9
133.10110	62.0
134.10461	1.9
135.08057	1.9
135.11652	5.8
137.05959	2.0
137.09608	2.4
137.13304	1.2
139.11177	1.4
143.08578	1.9
143.10655	21.4
145.04991	1.2
145.06477	7.6
145.10121	10.5
147.08096	1.6
147.11684	14.0
148.05173	1.5
149.09604	3.0
149.13246	14.7
151.03906	1.8
151.07523	1.3
151.11122	5.0
152.04729	1.9
153.05414	1.4
155.05991	1.9
155.10646	1.6
157.10130	2.9
159.07999	1.2
159.11653	11.7
161.09633	1.6
161.13228	7.0
163.07555	3.2
163.11150	2.1
163.14842	1.7
165.09064	1.1
165.12813	1.5
167.07019	100.0
167.14284	36.8
167.15680	1.8
168.07347	3.9
168.14607	1.1
169.10136	2.0
169.12273	3.3
171.06519	3.1
171.11641	1.9
173.05969	13.4
173.09589	1.0
173.13271	2.8
175.14845	2.5
177.12677	1.6
177.16376	1.1
181.04935	37.0
182.05246	1.6
185.13231	2.6
187.11272	0.9
187.14900	1.3
189.09172	0.9
189.16296	1.1
191.07028	11.3
191.14539	1.0
191.17967	1.8
193.04874	1.1
195.06541	2.2
195.13815	2.0
199.14862	1.2
201.05518	1.0
201.12939	0.9
201.16370	10.2
203.17984	2.2
205.08594	2.4
209.08105	0.9
215.14258	1.3
217.08624	2.1
219.10382	1.3
219.17412	37.5
220.17732	1.5
225.16319	1.0
233.08070	7.8
235.09641	2.8
237.18483	8.2
237.58807	1.0
255.06415	1.1
255.15871	2.1
259.58398	1.6
267.06503	1.1
275.59729	1.5
297.10745	0.9
329.11356	1.2
341.11700	4.8
341.61707	1.1
355.26389	1.9
357.12811	2.4
369.28006	1.3
373.27255	6.0
381.28009	1.6
385.13107	0.9
387.14291	9.4
388.14795	2.2
399.29022	4.2
417.15479	35.4
417.29959	11.0
418.16019	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	417.1538
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03923	0.7
55.01851	0.9
55.05487	1.0
65.03929	2.3
67.05494	2.0
69.03392	1.4
69.07027	0.8
71.04971	0.5
71.08725	0.9
78.04690	2.1
79.05473	3.4
81.03392	0.9
81.07032	1.9
82.04179	1.1
84.08108	0.7
85.02882	2.4
85.06522	2.0
90.85081	0.3
91.05469	2.1
93.03362	1.1
93.07000	1.2
95.04945	1.9
95.08578	2.0
97.02808	0.4
97.06507	1.5
100.68106	0.4
103.05450	5.2
105.03366	0.6
105.07003	2.6
106.04144	1.5
107.04936	5.3
107.08564	1.6
108.02042	0.9
109.06478	1.0
109.10131	1.2
110.03639	1.5
111.04427	0.6
111.08013	0.5
113.37003	0.4
115.05454	3.5
117.06992	6.0
118.04092	1.2
119.04917	0.5
119.08562	1.4
121.06438	0.8
121.10096	1.4
122.03610	0.7
122.05991	0.8
123.04407	5.9
124.05200	3.3
124.07568	0.4
125.06013	1.0
127.05397	0.7
130.04097	0.8
131.04883	4.0
131.08551	0.7
133.02788	0.4
133.06447	1.0
133.10101	1.2
134.03589	0.5
135.04346	0.6
135.07991	0.7
135.11685	0.6
137.05928	1.4
142.02629	0.9
143.04880	0.6
143.10660	0.5
145.06458	9.8
145.10068	0.7
147.04308	0.4
147.07959	0.8
147.11671	0.7
148.05176	2.6
149.13202	0.4
151.03879	1.5
152.04634	2.5
153.05490	0.8
155.04944	0.5
155.05977	2.7
157.06462	0.6
157.10110	0.4
159.07996	0.4
159.11617	0.6
161.05965	1.1
161.13263	0.6
163.07518	3.9
165.05347	0.4
165.06779	0.4
167.07004	100.0
168.07390	1.9
171.06522	3.3
173.05949	17.2
173.13203	0.5
175.07487	0.9
175.14900	0.4
176.04637	0.5
179.08507	0.4
181.04919	42.5
182.05255	1.1
187.07616	0.7
191.06996	15.7
192.07500	0.4
193.08524	0.5
195.06503	1.3
197.15456	0.3
201.05490	0.6
205.08574	3.0
209.08131	0.6
217.08611	0.9
219.10156	0.6
219.17349	0.5
221.08037	0.6
233.08006	7.0
235.09631	3.9
237.18468	0.6
241.72371	0.4
245.08052	0.4
255.15901	0.5
263.09219	0.9
280.07220	0.4
315.11792	1.3
320.11023	0.4
325.10764	0.7
329.10513	0.9
339.12085	0.4
341.11441	1.5
343.94574	0.4
357.13123	1.1
367.11847	0.5
373.27435	1.2
381.13235	0.9
385.12692	0.9
387.14325	12.7
388.14795	0.8
399.14630	2.1
399.28479	0.5
408.91339	0.4
417.15372	38.9
417.30225	1.5
418.16055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1537
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.95327	0.5
53.03928	1.0
55.01843	1.1
55.05486	1.2
65.03932	2.8
66.67832	0.4
66.97408	0.5
67.05493	2.6
69.03386	1.3
69.07033	1.5
70.91925	1.6
71.04961	1.1
76.60936	0.4
78.04679	2.1
79.05479	5.5
79.62974	0.4
80.46358	0.5
81.03386	0.6
81.07048	4.6
82.04188	1.0
83.04961	0.9
84.08103	0.5
85.02881	3.1
85.06523	1.1
91.05451	3.8
93.03366	0.5
93.07030	4.0
95.04961	3.5
95.08593	5.2
97.02872	0.9
97.06490	2.0
103.05444	7.2
105.03378	0.5
105.07011	5.5
106.04134	1.1
107.04939	5.9
107.08571	5.9
108.02042	0.5
109.06470	1.1
109.10126	3.6
110.03632	1.3
111.04443	1.1
115.05432	3.6
117.07005	5.2
118.04138	1.3
119.04935	0.7
119.08582	3.3
121.06454	1.4
121.10125	3.6
122.03601	0.8
123.04404	6.4
123.08022	0.7
123.11669	1.6
124.05200	2.7
125.05950	1.5
125.09608	1.1
127.03818	0.6
127.05399	0.9
128.06139	0.9
129.06952	1.3
129.96841	0.5
130.04134	0.7
131.04901	6.0
131.08569	1.4
133.06448	1.0
133.10104	4.8
134.03549	0.5
135.04277	0.5
135.08000	1.5
135.11655	2.0
137.05942	4.8
137.09537	0.7
138.03130	0.8
139.03896	0.5
139.07538	0.5
142.02577	0.8
143.10573	0.9
144.05621	0.5
145.06464	8.5
145.10106	2.7
147.04387	0.8
147.07997	1.4
147.11647	2.1
148.05157	5.0
149.05981	0.6
149.13219	2.4
151.03873	1.3
151.07503	3.0
151.11102	0.8
152.04651	2.9
153.05482	0.5
155.05952	2.4
157.06404	1.2
159.11662	1.8
161.05962	1.4
161.09616	0.8
161.13240	2.2
163.07524	6.4
163.11140	0.6
163.14784	0.7
165.05573	0.6
165.06947	0.9
165.09085	0.6
167.07007	100.0
167.14264	1.1
168.07391	1.5
171.06467	3.0
171.11642	0.6
173.05952	13.6
173.13239	0.6
175.07553	0.6
175.14880	0.6
176.04662	1.0
177.09047	0.5
181.04926	46.0
182.05305	0.8
183.11667	0.6
189.09073	2.4
191.06998	20.4
195.06477	2.1
201.05472	0.9
201.16322	0.9
205.08531	3.9
207.06386	0.6
207.09956	0.8
217.08524	0.7
219.10101	1.1
219.17436	1.8
221.05936	1.0
221.07828	0.5
221.09763	0.8
225.09067	0.5
233.08038	6.7
235.09552	3.1
237.18443	0.7
241.82114	0.4
245.08258	0.6
253.08391	0.7
253.12273	0.9
263.09039	1.3
267.10074	0.8
281.11426	0.5
285.11118	1.5
313.14255	1.6
339.12210	0.8
344.12653	0.5
357.13284	0.8
367.11798	0.6
373.27454	1.7
381.13318	1.1
381.27945	0.8
385.12561	1.3
387.14316	12.9
388.14874	0.5
399.14172	2.3
399.28998	0.9
417.15402	36.4
417.30072	3.6
418.15762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89360	2.2
53.03933	2.2
55.05500	3.5
58.10781	2.2
65.03947	3.0
67.05485	4.8
68.99768	2.5
69.03411	7.1
69.07056	4.0
70.06580	18.2
71.04977	4.0
71.79247	2.7
71.79704	2.3
72.08138	3.4
79.05469	10.2
81.03403	7.9
81.07040	13.5
83.04964	3.7
85.02872	6.3
86.00652	2.6
86.09691	7.7
91.05465	11.7
93.07033	14.0
95.04961	7.8
95.08582	6.1
97.02880	3.5
97.03889	2.1
97.06521	4.2
100.07596	2.4
103.05429	2.3
105.07018	8.4
107.04934	6.4
107.08563	6.4
109.02863	6.8
109.06469	2.9
109.10159	2.6
115.05456	2.6
117.06999	2.9
118.06541	3.4
119.04942	5.0
119.08563	6.1
121.06519	3.8
121.10114	10.4
122.03659	6.5
122.05995	2.5
123.07996	2.2
125.05951	3.1
127.03882	5.0
128.06195	3.6
129.06998	5.2
131.04930	6.6
131.08533	5.8
133.06410	3.5
133.10127	5.1
135.08066	2.6
137.05954	78.4
137.09578	2.2
142.07738	2.8
143.08456	2.6
144.05759	2.3
145.02831	4.9
145.06464	3.8
145.10037	4.0
146.05980	5.9
147.04430	5.7
147.08017	4.1
149.05930	4.8
149.09593	4.1
151.07524	8.0
153.01846	13.6
153.07021	2.8
155.08527	3.8
156.08359	2.7
157.06480	2.9
157.10170	3.1
158.07278	3.0
159.08035	6.7
161.05959	12.9
163.03835	3.3
165.01775	2.4
167.07037	5.8
167.08443	3.0
170.02711	3.4
171.07986	3.3
172.08788	3.1
173.09586	3.5
174.06813	2.2
175.07507	5.8
177.05486	11.2
177.12685	2.3
179.03362	5.2
179.06920	2.6
181.04932	5.6
181.06424	2.5
182.07240	4.7
183.08029	2.6
184.05244	3.2
185.09608	11.0
187.07509	4.7
187.11217	2.6
188.07024	4.7
189.12798	3.4
191.07010	6.1
193.06534	2.6
194.07272	3.8
195.06468	3.5
195.08130	2.7
197.09627	11.3
198.06709	19.0
199.07523	11.1
201.09097	3.8
207.02809	5.1
210.06764	3.2
210.14853	4.2
212.08315	5.7
213.09081	26.6
215.10684	6.8
217.04919	4.2
225.09036	13.0
228.15898	24.0
231.10162	3.9
235.13187	2.4
235.16942	6.5
243.10126	21.6
253.17892	2.9
255.10121	5.9
259.05865	2.3
261.11194	6.4
265.08389	2.4
273.11191	82.5
285.08997	2.6
289.08627	3.0
291.10037	2.7
293.08011	3.6
307.09781	3.2
315.08572	2.8
317.11679	2.3
321.11246	4.6
325.06827	4.6
341.11319	2.9
345.03757	4.2
349.14270	5.1
351.12424	2.7
354.14609	6.0
367.15424	5.3
371.07584	33.7
372.07797	2.6
374.27792	2.5
379.15451	5.1
387.11722	2.7
397.08801	3.9
397.16400	100.0
398.16684	4.5
415.10104	27.5
415.14978	2.1
415.22342	17.0
415.26965	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	415.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03156	1.4
53.03942	2.3
55.01863	4.1
55.05501	4.4
56.37965	1.6
56.96558	25.1
57.03412	6.2
59.04988	2.4
61.02915	7.0
63.08664	1.4
69.03422	15.5
69.07053	5.7
70.06586	14.5
71.03731	3.2
71.04067	1.8
71.04980	3.8
72.08143	3.0
73.02899	6.7
73.06538	4.3
74.06062	5.2
79.05479	1.9
81.03406	7.0
83.04968	4.6
84.04498	2.5
84.08134	8.2
84.96023	5.2
85.02895	39.5
85.06527	2.7
86.09689	9.9
87.04443	3.6
89.06021	3.9
91.03995	1.8
91.05443	2.6
93.92707	1.5
96.08079	2.5
97.02879	19.5
97.06533	2.0
98.06052	3.1
98.97565	51.3
99.04442	3.7
101.02398	1.9
101.06017	2.3
109.02858	7.8
110.06024	6.7
110.07159	2.0
110.97556	6.3
112.07621	8.1
116.07098	2.5
116.98601	35.2
119.01851	3.1
119.04922	3.9
124.03915	4.1
125.03461	5.1
127.03920	11.4
127.04800	2.3
128.04312	2.5
128.98584	15.1
129.10223	1.8
130.08649	9.3
131.00137	3.6
131.07057	1.8
134.99643	22.9
135.06564	1.5
136.06172	4.0
136.07716	2.0
137.05957	12.9
138.05414	1.6
140.00217	2.7
140.07037	4.9
142.06113	2.0
143.00150	2.4
144.06596	1.7
145.01659	1.6
145.04965	8.4
146.99643	15.7
147.04440	8.6
147.05522	2.1
148.04813	3.6
149.01236	4.4
149.05956	1.8
152.04503	5.4
152.05678	13.1
153.00700	3.0
153.05458	2.9
155.04639	6.9
156.03261	18.1
158.99631	12.3
161.01213	6.8
162.99066	2.8
163.03886	5.2
164.05138	4.6
165.00732	3.3
166.08601	4.0
167.07027	5.3
168.03278	10.2
170.99654	3.3
173.01228	1.8
173.02843	2.4
174.04384	47.3
174.99097	1.7
177.00685	18.9
177.05496	1.7
179.02277	1.9
179.07045	5.0
186.04358	81.1
187.04669	1.7
188.07693	1.8
189.00688	5.1
192.05397	11.4
193.00217	2.3
197.05977	2.3
200.02400	2.1
201.00739	3.4
204.05420	100.0
205.05771	2.4
207.01805	3.3
209.05972	5.4
210.99200	1.6
211.04556	2.8
217.05487	3.2
217.55623	3.3
219.01779	19.2
219.05325	1.8
219.07823	2.0
220.02246	1.7
220.05699	1.7
221.05049	2.2
222.06477	5.4
227.06822	21.3
227.56975	3.7
228.05521	4.1
229.00215	2.1
235.02785	6.1
237.02753	35.6
237.04977	2.8
238.01329	3.4
238.11942	3.0
242.06953	5.6
246.06670	3.7
247.00940	1.9
253.03722	7.7
255.03920	3.0
256.02621	2.2
258.06433	2.0
260.04648	2.2
260.08121	6.5
261.02628	1.9
272.09998	4.1
272.60297	2.4
273.05646	1.7
273.08618	1.8
274.97620	2.1
275.09747	2.0
277.03763	8.7
279.10129	8.3
280.07205	4.6
284.01199	2.4
284.12384	4.9
286.05859	23.6
286.08823	2.2
288.60635	1.9
289.07510	4.6
289.57611	1.8
291.07562	3.6
295.04730	11.1
297.11227	23.4
302.02310	2.0
302.06284	2.8
302.56616	5.7
304.07031	11.4
308.09467	2.5
309.08536	5.9
323.06790	1.5
325.10599	4.0
337.05951	4.6
341.11395	2.2
343.66031	1.9
355.03506	1.7
355.08856	9.4
373.04245	7.1
373.08749	2.2
380.15717	1.9
406.12888	6.6
415.09631	28.9
415.17053	6.1
433.10367	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	415.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74651	2.4
66.01980	2.3
71.78329	5.5
138.05342	2.7
218.73798	2.4
247.75830	3.1
248.87167	2.6
322.56656	3.0
332.02271	2.9
415.09979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.4
56.96293	2.6
56.96557	35.0
57.03415	6.5
61.02915	5.2
64.54768	2.1
69.03423	10.4
69.07040	3.4
70.02944	2.3
70.06579	10.9
70.13010	9.5
71.04962	3.0
71.95259	2.6
72.08144	2.2
73.02892	5.4
73.06540	4.7
81.03388	5.4
83.04997	2.3
84.04503	2.0
84.08109	4.6
84.08936	1.8
84.96028	6.6
85.02899	33.9
86.09683	8.3
87.04432	2.9
89.05999	4.7
91.05453	6.9
97.02886	12.6
97.96780	4.0
98.97566	100.0
99.04442	5.2
101.05991	2.0
102.97012	2.3
105.67817	2.2
109.02872	3.1
110.02405	3.1
110.97565	14.2
112.07584	3.7
112.99127	2.9
115.97830	2.1
116.98605	67.2
119.01835	2.1
119.04917	8.7
122.03621	2.1
125.03502	3.4
127.03900	10.0
128.98590	23.8
130.08636	2.3
131.00136	8.6
134.99635	24.4
137.05945	32.6
138.06271	4.2
140.07094	2.1
143.00143	5.0
145.04953	7.4
146.99651	19.6
147.04398	19.1
148.04659	3.0
149.01190	4.8
152.04512	2.4
152.05634	29.4
152.06783	3.1
153.04060	2.7
155.04651	5.6
156.03325	17.3
158.99619	20.1
159.80534	1.9
160.09706	1.9
161.01262	5.7
161.02940	3.6
163.02667	2.6
163.06013	2.3
164.05125	2.2
165.00812	2.3
166.08574	2.2
167.97572	2.4
168.03336	6.3
170.99722	3.0
173.01166	2.9
173.02751	2.0
174.04356	35.5
175.02719	3.0
177.00696	22.3
179.07007	12.5
186.04346	75.8
189.00702	5.7
191.03960	2.1
192.05351	5.0
197.01271	4.1
201.00702	4.9
203.01996	2.6
204.05420	70.0
208.55029	4.2
209.05962	2.8
218.06152	4.8
219.01692	30.0
222.06390	3.9
226.55927	2.1
227.04872	4.5
227.06749	46.9
227.56915	6.6
235.02788	17.3
237.02792	62.0
238.01384	9.5
241.03941	4.3
242.06999	6.0
253.03780	24.8
255.03755	2.9
256.02475	5.4
260.08017	4.4
265.03745	2.8
269.03293	3.5
271.04773	10.8
272.55563	3.6
274.97626	3.0
277.03754	22.5
279.05286	5.5
279.10144	5.6
280.06915	5.4
284.12427	3.6
285.70615	2.7
286.05917	12.6
291.07501	3.7
295.01700	3.3
295.04883	41.6
297.11172	21.1
302.56760	11.6
304.06979	7.4
309.08459	6.5
310.09039	2.6
313.05966	7.9
325.10052	2.4
337.05862	7.3
355.07660	2.5
367.06781	2.5
379.07047	2.4
397.08008	5.4
406.13083	6.6
415.09595	62.5
415.17944	4.1
433.10367	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	414.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
57.03409	0.7
62.98685	0.2
66.23911	0.2
68.05003	0.7
69.03409	1.8
70.06567	0.9
70.39635	1.1
71.04998	0.5
72.08144	0.3
73.02900	0.3
73.06554	1.5
79.01833	0.4
80.04995	1.1
81.03401	6.6
83.04929	0.3
84.04482	0.3
84.08119	0.3
85.02897	2.7
86.09695	0.6
91.05437	0.4
95.01318	2.6
95.04980	0.3
97.02301	0.4
97.02877	4.9
99.04451	1.8
108.04461	3.3
109.02852	3.2
110.06023	0.5
110.07144	0.3
112.09439	0.2
112.77370	0.2
114.09131	0.3
117.03343	0.3
117.09129	0.2
124.07615	0.2
126.05514	0.6
127.03892	3.1
131.08699	0.3
135.04408	0.5
136.03915	100.0
137.04260	2.6
145.02827	0.7
145.04965	0.7
149.11702	0.7
152.07150	0.3
154.04964	27.2
155.05264	0.8
163.03876	3.6
164.06889	0.3
177.05487	0.3
181.04948	0.3
280.08115	15.1
281.08466	0.5
298.05826	0.5
298.09171	8.4
299.09589	0.5
325.09396	0.4
414.17203	0.3
415.10071	0.9
437.84525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84156	1.2
53.03915	1.3
53.10112	1.0
55.05505	11.6
57.03386	1.7
57.07038	4.4
65.03928	1.7
67.05493	23.3
69.03389	2.8
69.07057	16.3
69.58321	9.3
71.04977	2.4
79.05087	1.2
79.05479	14.6
81.03363	3.5
81.07043	45.0
83.04944	2.6
83.08621	5.9
85.02840	1.9
91.03907	1.4
91.05465	13.8
93.07033	28.7
95.04909	3.8
95.08592	25.7
97.02830	2.5
97.06508	1.3
97.10125	2.3
98.21473	2.2
99.04385	1.2
103.69908	1.1
105.07009	29.1
107.08572	34.0
109.06446	2.1
109.10142	53.9
115.05420	1.6
117.06982	10.9
119.08563	29.3
121.06462	1.8
121.10133	20.5
123.08033	1.4
123.11686	62.2
125.05909	1.5
125.09530	3.3
127.03861	2.2
128.06171	2.7
129.06990	9.5
131.07642	1.5
131.08551	26.6
133.10106	25.4
135.07971	1.7
135.11681	16.1
137.09529	1.6
137.13226	5.6
139.11140	1.3
141.06914	2.2
142.07716	2.4
143.08554	15.6
145.09113	1.4
145.10092	18.3
147.07957	2.0
147.11662	42.2
148.18330	1.4
149.05997	1.3
149.09561	1.7
149.13231	22.9
151.11105	1.9
151.14752	2.8
155.08557	5.7
156.09264	1.6
157.10109	12.6
159.08032	2.0
159.11646	13.9
161.09570	1.9
161.13248	13.0
163.11052	1.7
163.14716	4.9
165.05367	4.9
165.12718	1.8
167.08484	2.6
168.09215	1.9
169.08847	1.4
169.10110	17.4
171.10353	1.6
171.11652	21.9
173.09555	2.2
173.13255	22.3
175.14807	11.8
177.09013	4.1
177.12671	1.7
177.16356	1.5
179.10617	2.0
179.14203	1.3
181.10132	6.3
182.10793	1.5
183.11656	11.7
184.12109	1.4
185.13232	16.3
187.11086	2.0
187.14789	14.1
189.12651	2.4
189.16309	3.4
191.10428	2.1
195.11734	6.1
195.13394	2.0
197.13219	9.6
199.11072	1.5
199.13112	1.3
199.14783	18.6
201.16380	12.6
205.08488	4.4
205.12109	1.6
206.32516	1.2
207.11871	1.5
207.13766	3.9
209.13188	5.8
211.14622	4.6
213.12735	1.9
213.16344	14.4
215.10605	3.2
215.14236	2.9
215.17914	34.8
217.12108	3.8
217.15723	1.4
223.09639	6.4
223.14705	7.3
225.16376	13.1
227.17899	10.2
229.12099	2.8
231.13626	3.0
233.15175	3.4
235.14735	1.5
237.16339	7.4
239.17928	8.1
241.19431	1.8
243.13759	2.9
245.15199	4.1
251.17926	9.7
253.19519	6.2
255.20876	1.5
259.16913	9.2
261.14459	1.5
261.15448	1.5
261.18466	31.0
265.19479	10.6
267.20929	2.5
269.07904	1.4
269.15182	3.4
271.16812	1.7
273.18326	3.3
277.14243	1.5
279.20972	8.9
281.22504	2.6
283.16751	4.3
285.18359	2.7
287.16193	5.1
293.22275	1.7
295.23898	1.8
297.18530	2.7
311.20010	6.5
313.21521	1.3
321.25696	55.7
322.25867	3.2
323.27286	24.5
324.27289	1.8
325.21179	2.0
331.23953	2.5
339.26828	5.6
341.24683	1.9
345.20212	4.0
349.24930	4.3
351.26459	1.6
367.26251	100.0
368.26508	5.5
369.27835	64.5
369.40417	1.3
370.27853	3.0
385.26929	4.3
395.25314	6.6
413.21454	5.5
413.26486	39.8
414.26651	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	413.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05505	2.7
57.07076	1.4
57.89759	0.8
67.05498	4.8
69.03420	2.2
69.06682	1.4
69.07057	27.4
70.06583	8.2
70.52586	0.8
71.04983	2.0
79.05485	4.3
81.03384	1.5
81.07045	9.0
83.01324	4.9
83.04993	0.9
83.08630	2.0
85.02934	1.0
85.51284	0.9
91.05482	4.9
93.07030	12.3
95.04960	1.8
95.08587	7.0
97.06531	0.9
105.07024	7.6
107.08575	16.5
109.02876	0.9
109.06506	4.0
109.10154	7.1
115.08678	6.9
116.07100	2.0
117.06994	1.5
119.08543	10.7
121.06502	3.1
121.10124	11.5
123.08059	1.3
123.11697	13.6
127.03905	1.2
129.07005	1.1
131.08554	4.8
133.10100	5.9
135.08038	5.1
135.11676	18.1
137.05980	3.3
142.42004	0.9
143.08572	1.9
145.10091	4.0
147.08167	0.7
147.11728	3.5
149.06041	0.9
149.09569	4.7
149.13290	2.4
151.07550	0.8
151.11365	0.9
153.05469	3.4
155.08569	0.8
157.10107	1.8
159.08022	4.6
159.11697	3.3
161.09613	1.5
161.13261	2.2
162.06712	4.5
163.07515	9.5
163.11209	0.9
163.14816	1.2
165.05458	63.8
166.05939	0.8
171.11702	1.7
173.09497	0.9
173.13243	1.3
175.07533	1.2
175.11124	0.8
175.14822	5.1
177.09097	16.2
177.12772	0.8
177.16429	4.1
179.07039	1.3
187.07536	5.0
187.11113	1.2
187.14810	2.3
189.12798	1.2
189.16402	3.3
191.07004	2.1
199.14801	1.5
203.07048	2.8
205.08575	64.6
206.08914	1.8
211.09654	3.1
213.16403	1.0
219.10179	1.8
221.11696	19.3
223.09624	100.0
224.09933	2.5
231.10321	1.3
233.11795	1.0
237.11116	1.3
243.10167	1.2
261.11285	1.1
269.15567	1.4
287.16373	42.8
288.16833	1.3
291.15826	5.7
325.21667	1.4
327.19403	2.4
329.21133	1.1
343.18915	2.3
343.22729	8.3
345.20541	41.4
346.20764	1.5
357.20486	6.5
367.26218	1.5
377.24161	0.9
395.25739	2.6
395.33353	1.3
413.21899	1.2
413.26462	16.6
414.26968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2142
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.17564	0.3
55.01862	0.3
55.05507	0.5
57.03418	0.5
59.04988	0.3
61.02915	0.2
66.19279	0.2
67.05514	0.3
68.04996	0.2
69.03410	1.0
69.07061	1.5
70.06591	2.4
71.79154	0.4
72.08127	0.6
73.02897	0.4
73.06553	0.7
73.10147	0.2
79.05478	0.5
81.03398	1.1
81.07038	0.8
83.04964	0.3
84.04486	0.5
84.08116	0.6
85.02895	1.4
86.09692	0.6
86.47435	0.3
90.09205	0.4
91.05479	0.3
93.07023	1.0
94.06582	0.4
95.04946	0.3
95.08561	0.4
97.02879	1.0
99.04435	0.4
103.05511	0.4
105.07009	0.3
107.04930	0.3
107.08580	0.8
109.02866	1.2
109.06516	0.5
109.10154	0.4
110.07139	0.7
111.04370	0.3
114.09165	0.8
116.07062	0.4
117.03347	0.4
117.93477	0.2
119.04937	0.3
119.08555	0.5
121.06474	0.4
121.10088	0.4
122.05998	0.3
123.11694	0.8
124.03928	0.5
125.93098	0.3
127.03903	0.9
131.04887	0.6
133.10043	0.3
135.08022	0.3
135.11670	1.1
136.03926	7.7
136.06161	0.6
137.05980	0.9
140.07036	0.4
143.01917	0.5
145.02837	0.8
145.04958	0.4
149.05992	0.5
149.11719	0.4
153.05475	0.4
154.04977	2.5
159.07994	0.3
163.03906	0.8
163.07567	0.6
165.05444	2.2
165.70605	0.3
173.13181	0.3
176.78096	0.3
177.05443	1.5
177.09033	0.6
187.07472	0.4
203.05254	2.5
205.08546	2.4
213.12285	0.5
219.10019	0.3
221.11700	0.5
223.09660	4.6
251.09212	0.6
274.72540	0.3
280.08194	1.4
287.16397	2.0
298.09277	0.6
311.16791	0.3
325.04318	0.3
345.20636	2.5
357.20828	0.3
413.21439	100.0
414.17337	0.4
414.21799	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
54.03438	0.2
55.01849	0.6
55.05503	3.4
57.03431	0.4
67.07954	0.2
69.03414	1.4
70.06577	1.4
71.05009	0.4
71.78567	0.3
72.08094	0.2
74.06055	0.4
78.03443	0.7
81.03401	3.0
82.06554	0.7
84.04484	0.2
84.08128	2.7
85.02888	1.8
85.06527	0.2
86.09666	0.3
94.02923	0.7
96.04535	0.2
97.02892	1.5
98.06047	0.8
99.04420	0.9
99.04963	0.2
102.05530	0.2
106.02907	2.4
109.02850	1.6
110.06030	1.7
112.03951	0.5
112.07581	6.5
116.07080	0.2
119.03591	0.3
120.06549	1.5
122.02367	22.9
123.02739	0.5
124.03932	4.2
127.03896	0.9
128.07083	1.1
130.08617	100.0
131.07024	0.3
131.08958	1.9
136.03940	0.7
136.06158	18.6
137.04594	0.3
137.05821	0.3
140.03395	6.0
140.07117	0.2
140.91255	0.2
142.08755	0.2
145.04904	0.3
146.08101	3.6
149.06059	0.2
158.65450	0.2
162.04086	10.4
163.03889	0.5
172.09700	0.3
177.05396	0.3
223.09650	0.3
231.25372	0.2
233.10866	0.2
266.06476	1.9
268.08121	3.4
281.09882	9.5
282.10275	0.4
284.07614	4.4
292.13757	1.2
413.15445	12.7
414.15799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
54.03438	0.2
55.01849	0.6
55.05503	3.4
57.03431	0.4
67.07954	0.2
69.03414	1.4
70.06577	1.4
71.05009	0.4
71.78567	0.3
72.08094	0.2
74.06055	0.4
78.03443	0.7
81.03401	3.0
82.06554	0.7
84.04484	0.2
84.08128	2.7
85.02888	1.8
85.06527	0.2
86.09666	0.3
94.02923	0.7
96.04535	0.2
97.02892	1.5
98.06047	0.8
99.04420	0.9
99.04963	0.2
102.05530	0.2
106.02907	2.4
109.02850	1.6
110.06030	1.7
112.03951	0.5
112.07581	6.5
116.07080	0.2
119.03591	0.3
120.06549	1.5
122.02367	22.9
123.02739	0.5
124.03932	4.2
127.03896	0.9
128.07083	1.1
130.08617	100.0
131.07024	0.3
131.08958	1.9
136.03940	0.7
136.06158	18.6
137.04594	0.3
137.05821	0.3
140.03395	6.0
140.07117	0.2
140.91255	0.2
142.08755	0.2
145.04904	0.3
146.08101	3.6
149.06059	0.2
158.65450	0.2
162.04086	10.4
163.03889	0.5
172.09700	0.3
177.05396	0.3
223.09650	0.3
231.25372	0.2
233.10866	0.2
266.06476	1.9
268.08121	3.4
281.09882	9.5
282.10275	0.4
284.07614	4.4
292.13757	1.2
413.15445	12.7
414.15799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04754	0.8
55.05503	1.4
57.03422	4.9
57.07066	78.8
59.05011	0.9
67.05492	6.4
69.03410	1.1
69.07056	1.0
70.42436	4.2
73.02905	2.0
75.04458	1.7
81.07037	2.0
85.02893	8.4
85.06595	0.8
88.73470	0.8
89.06013	2.7
91.05480	1.7
92.74564	0.8
93.07047	1.4
95.01328	8.1
95.04913	1.1
95.08582	1.1
97.02902	1.3
97.06499	1.4
98.21435	0.9
105.06999	1.6
106.07311	0.8
109.10143	12.1
113.02332	2.3
116.35357	0.9
116.77926	0.9
119.08587	1.5
127.11174	51.7
128.11551	1.3
131.03377	2.0
131.08537	1.1
141.01807	13.8
141.02841	1.7
145.12231	6.0
155.86418	0.9
159.02834	2.6
163.13202	1.2
201.14827	100.0
202.15208	3.9
219.15884	48.3
220.16377	1.0
343.74048	0.9
359.17072	2.0
377.18088	1.6
413.11880	1.3
413.20468	0.9
413.26364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1412
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.49868	0.6
69.03422	1.3
69.46927	7.4
70.06579	2.1
73.02889	0.8
74.06061	2.0
78.03450	1.5
79.80888	0.8
81.03406	1.2
83.08594	1.0
85.02907	1.0
98.21436	1.6
102.05540	1.3
106.02902	5.3
110.06029	2.1
114.09122	0.7
119.03548	3.2
120.06557	7.8
124.03938	11.9
128.07051	1.5
129.09082	0.8
129.10216	0.8
130.08611	0.8
136.06163	100.0
137.04570	1.4
143.58766	0.6
146.08096	8.0
157.01874	0.7
162.04088	59.9
178.37601	0.7
194.94582	0.7
203.12755	0.7
250.07091	1.0
268.08060	7.1
268.10477	1.3
281.09875	57.9
282.10083	2.3
288.28214	0.6
368.10669	0.8
413.15320	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	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
55.21983	0.6
57.03427	2.4
57.07071	1.7
57.13686	0.6
67.05493	2.1
69.03397	1.5
69.07061	1.1
70.06571	2.1
71.04977	1.1
71.79072	1.0
72.08132	1.1
81.03376	1.0
81.07038	2.0
84.08151	0.9
85.02902	6.0
85.06536	100.0
86.06043	1.0
86.06851	1.7
86.09695	0.9
91.05437	0.8
95.01318	2.3
97.02891	1.7
99.04478	0.8
99.08076	1.2
104.83656	0.7
109.02857	0.9
110.07179	0.8
111.04417	0.6
113.02352	0.8
114.09164	5.4
117.05484	7.9
121.02830	0.7
123.88313	0.6
127.03878	1.3
127.07550	2.0
128.10535	0.5
130.08589	0.8
131.03374	0.9
136.03917	1.6
136.06145	1.7
141.01819	7.0
145.08554	1.7
147.04390	1.1
154.04918	0.7
159.02863	0.9
163.03862	1.1
174.11235	1.0
175.07629	0.6
176.27101	0.6
178.04948	2.8
187.13319	1.1
201.11209	83.1
201.86293	0.6
202.11551	2.0
205.08546	1.1
206.04492	1.2
215.05470	0.9
223.09714	0.8
226.94792	0.7
233.06314	0.7
309.76639	0.8
326.18350	0.9
342.44965	0.6
344.19159	1.7
359.13318	2.3
377.14398	22.3
378.14584	1.3
412.19522	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	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81970	1.4
53.03935	2.2
55.05473	2.0
57.03429	5.3
57.07063	1.6
60.77862	1.6
61.02921	2.6
67.05486	3.0
68.05025	1.6
69.03418	11.5
69.07055	3.2
70.06583	11.6
71.01356	2.6
71.04981	21.1
71.78707	2.4
72.08129	3.8
73.02901	9.3
79.05467	2.2
81.03411	9.6
81.07046	2.6
82.06553	2.0
83.04979	8.3
83.28278	1.8
84.04488	4.5
84.08131	5.3
85.02890	26.4
85.03376	2.0
85.06529	100.0
86.09711	2.2
88.03986	3.8
89.06014	22.7
91.05464	2.1
95.01338	4.0
95.04994	1.6
97.02879	20.3
97.06504	1.9
99.04443	35.1
99.05052	3.0
101.06001	2.8
103.03909	1.7
105.07053	3.1
107.04912	2.3
109.02840	12.3
109.06492	3.7
111.04420	3.5
111.08067	1.7
113.02348	2.1
114.09148	56.5
115.03909	4.3
117.05500	10.0
121.02850	4.6
121.06486	2.0
127.03901	12.3
127.07522	1.9
129.10220	2.8
130.08626	3.0
133.05003	3.2
135.04375	3.8
135.06517	3.0
136.03912	4.5
136.06189	7.8
136.07620	1.8
137.05969	6.8
138.05440	2.2
141.01793	5.5
145.02876	2.5
145.04964	6.9
145.08572	2.0
147.04399	5.4
152.05591	2.4
154.05013	1.8
159.02904	2.4
161.05980	2.6
162.04089	2.5
163.03891	20.1
163.07574	1.8
167.07013	3.7
174.11243	13.4
177.05411	2.9
178.03461	3.6
178.04904	20.3
179.07094	2.7
186.05479	2.9
187.09637	8.8
201.11185	85.1
202.11472	2.0
202.39999	1.5
204.06567	2.0
205.10577	2.0
206.04471	17.2
207.06534	7.5
215.09146	2.8
223.09586	1.8
225.07610	4.2
232.05997	3.1
233.10385	2.1
243.08688	4.3
250.06998	4.1
281.10031	2.4
323.10971	2.5
332.07614	5.7
341.12238	4.8
344.19290	2.5
359.13351	6.1
377.14389	28.2
378.14844	1.9
388.26926	1.8
394.11801	2.0
412.11917	8.6
412.19540	19.2
413.14423	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	412.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01865	0.6
55.05507	3.4
62.52298	0.2
65.03934	1.7
69.03418	1.6
69.07040	0.3
70.06574	0.8
71.04971	0.3
71.78867	0.3
72.04510	0.3
72.08134	0.4
79.05471	0.3
81.03403	2.0
81.07014	0.3
82.06546	0.3
82.64384	0.2
84.08122	2.2
85.02900	1.3
86.09659	0.4
95.04953	1.1
97.02866	1.2
97.10159	0.6
99.04446	0.7
107.04939	0.3
109.02868	1.0
109.37210	0.2
110.06036	0.3
111.04420	2.1
112.07587	5.7
120.08107	0.4
121.02848	56.7
122.03188	1.2
125.09658	0.4
127.03905	1.0
130.08621	100.0
131.09013	1.6
139.03882	3.6
145.04922	0.4
156.34741	0.2
163.03896	0.5
163.07501	0.2
218.14713	0.5
233.08064	0.3
265.07034	2.2
283.08087	3.5
292.13849	4.5
380.06177	0.3
412.15781	5.0
412.20203	0.6
413.16385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3616
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05499	5.1
57.07052	6.0
66.30964	2.7
67.05495	14.7
69.07059	21.9
69.55469	14.2
69.55891	12.7
70.76599	2.6
71.08613	2.6
76.21571	2.8
79.05474	10.0
81.06586	5.1
81.07038	57.2
83.08595	10.8
86.42573	2.3
91.05476	11.1
93.07037	33.9
95.08587	77.6
96.08935	4.3
96.60233	2.8
97.10124	4.5
105.07003	20.3
107.08578	53.1
108.08936	2.9
109.10137	52.1
110.10484	3.1
111.08008	3.9
117.07005	5.9
119.08563	31.0
121.10123	46.0
122.02475	2.4
122.10442	3.3
123.11690	24.1
129.78606	2.7
131.08543	5.6
133.10098	34.2
135.11664	54.5
137.13219	10.4
145.10074	13.8
147.11655	19.8
149.13248	25.4
151.07526	5.6
152.07928	4.8
157.10167	3.8
159.11658	20.2
161.13242	19.5
163.14781	23.4
165.16405	4.2
171.11678	5.7
173.13242	11.5
175.11171	2.7
175.14784	14.4
177.16412	16.5
185.13196	4.2
187.14748	13.9
189.16310	11.0
191.17946	7.2
199.14722	3.7
201.16348	11.7
203.17946	9.5
205.08549	3.5
205.19444	3.4
215.17963	15.1
217.19493	8.6
223.09654	6.2
229.19493	8.2
231.21068	10.9
243.21004	13.9
245.22514	13.1
255.21101	11.5
257.22519	15.2
259.24323	3.1
261.22162	3.5
269.22598	9.8
271.24158	10.4
273.22281	3.2
287.23734	3.6
297.25995	3.1
325.18030	8.1
343.18958	22.0
344.19415	3.0
351.30435	4.2
393.35135	39.8
411.31918	5.8
411.36151	100.0
412.36310	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	411.3619
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
52.10665	1.6
52.85573	1.8
53.39141	1.7
55.05514	10.4
57.07077	10.2
67.05503	15.7
67.56199	1.9
68.43114	1.8
69.07058	17.8
71.04971	2.7
71.08614	1.8
71.72060	3.1
79.05478	5.5
81.06598	3.6
81.07051	68.1
81.81013	1.9
83.08636	9.1
85.06544	13.1
91.05464	7.3
93.07045	13.8
95.08598	100.0
96.08917	2.0
97.10168	2.9
105.07032	10.7
107.08577	17.1
109.10139	33.2
115.42475	1.9
119.08559	13.5
121.10146	17.2
123.11689	23.8
129.07021	2.3
131.08542	7.5
133.10136	11.0
135.11681	11.2
137.13243	72.6
144.98944	1.9
145.10123	9.2
147.11681	7.8
149.13213	12.4
151.14790	8.6
157.10075	3.6
159.11688	8.0
161.13240	7.6
163.11157	3.1
163.14812	7.8
164.32069	1.9
171.11690	5.1
173.13243	8.4
175.14809	6.3
177.16362	3.4
185.13202	2.8
187.14803	4.9
189.12776	2.3
189.16396	4.1
191.17963	7.2
193.15871	4.6
199.14725	3.1
201.16347	7.6
203.17960	6.7
205.08643	2.3
205.19510	3.2
213.16344	4.3
215.17903	6.2
217.19510	2.8
219.17421	3.5
223.09593	3.5
229.19502	3.1
231.17432	1.8
241.19502	3.5
243.21062	15.6
255.21042	5.4
257.22592	2.2
259.20569	3.6
261.22098	7.2
269.22775	3.1
273.22058	3.9
325.17984	3.2
343.19113	8.6
393.35056	11.0
411.36313	37.3
412.36621	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	411.3614
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
52.22092	2.0
55.05495	10.0
57.07061	4.9
65.03969	2.0
67.05493	22.4
69.07053	20.2
71.04971	1.9
71.08627	1.9
71.40459	3.1
71.40796	2.3
73.35731	2.0
79.05476	14.6
81.07041	53.9
82.07407	2.2
83.08609	10.8
87.78594	2.4
91.05459	12.6
91.48203	1.8
93.07029	34.4
95.04970	2.1
95.08588	100.0
97.10144	5.3
105.07020	33.7
107.08572	58.7
109.10134	61.1
111.08099	2.3
111.11690	3.2
117.07024	3.3
119.08556	39.2
120.08934	2.8
121.10120	43.9
122.10487	2.3
123.11691	18.9
131.08542	9.5
133.10101	40.5
135.11668	49.0
137.13260	4.8
143.08568	2.6
145.10056	13.3
147.11671	30.5
149.13246	26.8
150.13588	2.4
151.14832	2.7
157.10132	3.1
158.49506	2.3
159.11668	17.3
161.13228	31.3
161.14497	2.3
163.14818	23.1
165.12703	2.0
165.16393	2.5
172.12347	2.4
173.13254	13.4
175.14803	42.7
176.15224	2.4
177.16335	24.8
179.14304	4.6
185.13245	3.1
187.14777	16.0
189.16350	45.7
191.17903	25.4
193.15852	4.7
199.14810	4.3
201.16309	16.6
203.17934	42.3
205.15878	3.4
205.19553	5.7
207.17407	32.2
213.16364	5.1
215.17886	15.7
217.19485	14.3
221.19017	4.0
223.09630	3.3
227.17996	2.8
229.19472	14.6
231.20981	9.5
241.19574	4.0
243.21104	8.5
245.22528	3.0
247.20534	2.9
255.21213	6.1
257.22638	9.7
259.20865	2.3
261.22156	3.9
269.22739	3.7
271.24060	3.0
287.23706	2.6
297.25690	9.1
315.26767	4.9
323.27328	4.2
325.17960	3.4
341.28397	3.0
343.18878	12.4
351.30548	8.1
372.22690	2.0
393.35156	40.4
394.35550	4.8
411.04617	2.8
411.31482	7.4
411.36234	69.9
412.31049	2.3
412.36725	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3613
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03933	3.7
55.05505	13.9
57.07063	5.6
67.05490	15.9
69.07063	32.4
69.80236	12.2
69.80668	10.9
79.05478	14.2
81.07040	49.5
83.08602	9.5
91.01087	3.0
91.05466	19.6
93.07029	31.5
95.08592	100.0
96.08947	4.5
97.10153	9.8
97.75640	3.2
98.20663	4.5
102.93803	2.8
105.07003	36.7
107.08580	62.4
109.09474	5.7
109.10151	56.3
119.08572	49.1
121.10130	43.7
123.11672	26.3
131.08557	9.0
133.10106	51.1
135.11673	36.4
136.03653	3.1
137.13258	9.4
145.10121	18.5
147.11674	32.3
149.13274	25.0
157.10109	3.6
159.11661	18.3
161.13239	29.9
163.11143	3.6
163.14803	34.2
171.11734	4.1
173.13200	15.6
175.14803	45.6
177.16336	25.7
179.14291	10.6
185.13191	5.5
187.14772	16.5
189.16344	29.2
191.17918	33.7
201.16359	12.6
203.17944	58.2
205.08505	5.1
207.17435	14.3
209.29070	3.0
213.16220	4.4
215.17979	18.6
217.19466	9.2
221.18976	5.5
223.09572	5.3
229.19525	9.9
231.21046	11.0
233.18977	6.7
241.19554	3.6
243.21049	8.0
257.22589	11.8
269.22702	7.1
271.24142	6.3
297.25833	3.2
325.17944	7.0
343.18973	23.9
344.19250	4.6
351.30380	10.6
384.51645	3.3
393.35208	48.6
394.35367	6.9
411.36267	77.0
412.36478	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	411.3616
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05488	10.1
57.07061	3.4
67.05504	18.2
69.07059	20.5
70.98931	6.4
79.05477	9.6
81.07043	55.2
83.08602	7.4
91.05446	10.6
93.07028	33.8
95.08591	67.2
97.06526	2.3
97.10150	7.4
105.07022	30.7
107.08576	46.1
109.06501	2.3
109.10144	43.8
111.08089	2.4
111.82218	1.9
111.94600	1.9
114.86347	2.4
119.08567	34.3
119.13396	2.1
121.09264	2.7
121.10127	45.1
123.08053	2.3
123.11701	14.8
127.85136	2.1
131.08565	8.3
133.10101	27.1
135.08090	2.7
135.11664	35.8
136.67075	2.2
137.13263	7.0
143.08554	8.5
144.09277	2.4
145.10094	13.8
147.11665	26.7
149.13222	17.2
151.14638	2.3
157.10071	4.2
159.11652	16.0
159.71159	2.2
161.13231	22.1
163.14784	23.6
165.16312	3.8
171.11670	5.9
173.13304	13.9
175.14827	14.6
175.16106	2.3
177.16356	14.9
179.14276	9.9
185.13225	7.4
186.14018	5.6
187.14790	12.1
189.16347	33.3
190.16727	2.4
191.17917	13.5
199.14816	8.1
201.16415	9.5
203.17932	27.3
205.19508	3.2
207.17331	2.8
212.15532	2.5
213.16342	7.0
214.17131	4.4
215.18002	18.3
217.15927	5.0
217.19472	7.6
223.09508	2.4
227.17953	6.3
229.19490	29.0
231.21060	8.2
233.19055	2.3
241.19508	7.9
243.21046	5.6
245.22723	2.4
247.20573	16.6
248.20999	2.5
255.21107	8.3
257.22589	9.1
259.20532	4.4
259.24323	4.8
269.22598	7.0
271.24188	5.8
273.22046	2.6
283.24020	2.5
297.25784	2.1
323.27390	2.9
325.17804	2.6
343.19089	5.8
393.35132	58.8
394.35355	6.5
411.36200	100.0
412.36420	10.6
412.57776	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	411.3616
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03927	1.4
55.05315	0.8
55.05507	8.1
57.07048	2.8
59.04974	1.1
67.05492	19.7
69.07056	17.7
71.00463	2.6
71.04967	1.5
77.03890	0.9
79.05478	15.1
81.07045	43.9
83.08609	8.7
91.05462	11.7
93.07028	39.2
95.04958	2.1
95.08591	100.0
96.08929	1.7
97.10156	3.8
105.07013	25.5
107.08575	73.7
108.08891	2.0
109.06481	2.2
109.10136	42.9
110.10493	1.1
111.08057	2.5
111.11695	1.8
117.06969	2.1
119.08566	34.6
120.08931	1.1
121.10126	56.0
122.10423	1.1
123.08046	1.9
123.10825	0.6
123.11680	16.4
125.09612	1.2
127.11113	1.4
131.08542	3.1
133.10109	26.2
135.11667	30.8
137.09589	0.8
137.13231	4.0
139.11140	1.5
145.10071	7.1
147.11668	19.1
149.13232	34.0
150.13606	1.2
151.11224	1.7
151.14813	1.4
159.11676	11.5
161.13243	21.3
161.14520	1.8
163.14790	66.2
164.15135	1.3
171.11630	1.0
173.13252	9.3
175.14789	23.6
177.12790	2.0
177.16344	22.3
179.14272	7.1
181.15877	1.0
185.13268	1.6
187.14830	11.9
188.15175	1.1
189.16348	29.6
189.18005	1.7
190.16676	1.2
191.17914	18.7
193.15880	1.5
199.14845	1.0
201.16354	9.5
203.17928	35.7
204.18341	1.8
205.15921	1.8
205.19461	6.5
207.17435	9.0
213.16333	2.1
215.17963	6.4
217.19470	6.2
219.17412	1.8
221.18997	1.4
223.09683	1.7
227.17960	1.2
229.19536	3.8
231.21045	16.5
232.21284	1.4
233.18977	6.0
233.22614	2.6
241.19478	1.1
243.21126	1.7
247.20641	2.0
255.21124	1.6
257.22543	1.4
297.25702	14.0
315.26843	7.3
323.27505	1.2
325.17841	1.7
341.28308	3.6
343.19092	2.6
393.35074	12.9
394.35480	1.2
411.36169	84.2
412.36411	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	411.2889
Annotation	Cacospongin D
Peak:m/z	Relative Intensity
53.03928	0.9
55.05503	8.3
57.07067	1.4
65.03912	1.1
67.05492	16.0
67.99709	0.6
69.07057	5.5
69.67970	4.7
71.04971	0.7
77.03948	0.6
79.05482	9.1
79.35552	0.6
81.06590	1.1
81.07042	17.3
83.08610	10.1
85.06528	7.7
89.85145	0.5
91.05463	11.4
93.07032	35.6
94.07380	0.7
95.04952	1.6
95.08597	49.2
96.08936	1.3
97.10169	2.0
103.05450	0.8
105.07015	16.5
107.08581	30.8
108.08939	0.9
109.10143	49.3
110.10490	1.4
115.05498	0.6
117.07014	2.1
119.08565	21.9
121.10126	100.0
122.10476	2.3
123.08054	1.7
123.11676	7.4
129.06984	2.0
131.08546	7.7
133.10118	16.7
134.10458	0.8
135.04428	0.6
135.11670	19.1
136.11986	0.8
137.09584	0.6
137.13226	2.9
142.07816	1.0
143.08533	6.1
144.09209	0.8
145.10091	9.9
147.08043	0.7
147.11667	7.9
149.05939	0.7
149.09596	1.0
149.13242	6.8
151.14799	1.6
155.08539	2.6
157.10124	6.5
159.11684	6.9
160.12340	0.6
161.09590	1.0
161.13222	6.3
163.11189	1.2
163.14784	8.5
167.08591	0.7
168.09320	0.7
169.10051	5.4
171.11676	9.3
172.12341	0.9
173.09665	2.0
173.13231	6.4
175.11205	2.9
175.14804	17.4
177.12781	0.7
177.16357	6.4
181.10109	2.3
183.11652	5.2
185.13220	7.1
187.11162	1.8
187.14763	4.2
189.12701	2.7
189.16357	19.0
190.16797	1.0
191.10675	0.7
191.17867	0.7
195.11636	2.4
196.12526	0.8
197.13217	3.6
199.14767	4.7
201.12740	2.6
201.16382	3.0
203.17932	1.4
205.15863	0.9
207.11746	1.1
209.11557	1.2
209.13287	2.4
211.14749	3.1
213.12769	1.3
213.16376	1.6
215.14293	2.6
215.17828	1.1
223.12984	1.2
223.14771	2.6
225.16345	6.5
226.16798	0.8
227.14346	1.6
227.17970	2.1
229.12257	1.1
229.15819	2.0
231.13876	1.0
235.14873	0.8
237.16299	1.6
239.14476	0.7
239.17899	3.3
241.15810	2.0
241.19516	1.7
243.13733	1.1
243.17531	3.6
245.15253	1.0
251.17882	4.6
253.19533	1.3
255.17430	1.4
257.15375	1.3
257.19025	2.0
259.13339	0.6
261.14972	2.8
265.19391	0.9
269.15771	1.3
269.19073	4.2
271.16931	1.5
273.14816	2.4
277.19547	1.4
283.20679	0.9
285.18329	0.8
287.16339	0.9
289.18008	2.6
291.21198	0.7
295.20432	1.4
297.18475	3.5
301.17941	1.3
303.19589	1.6
309.22116	1.4
310.47232	0.7
315.19543	7.3
327.23141	0.7
329.21094	2.1
341.21072	3.7
343.19043	1.8
347.27298	7.4
355.22672	3.4
365.28372	10.7
393.27805	10.7
394.28540	0.9
411.28860	61.4
412.29282	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	411.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12483	1.4
53.03956	1.9
55.01863	4.5
55.05504	33.3
56.96574	1.8
57.03426	6.4
67.05496	12.3
69.03416	5.9
69.07055	10.9
70.06577	4.9
71.04987	1.5
71.37971	4.1
72.08138	2.3
75.04476	1.3
79.05486	10.7
81.07050	19.0
83.04977	3.1
83.08604	11.4
85.02888	8.6
85.06535	3.4
85.57625	1.5
91.05484	3.7
93.07052	2.5
95.01327	3.5
95.04969	1.5
95.08601	5.8
97.02905	2.6
97.06483	2.0
97.10153	47.4
98.97584	4.0
103.03911	2.4
105.07003	3.4
107.04957	2.2
107.08566	11.3
109.02847	2.9
111.04411	1.6
116.98637	2.1
119.08594	3.5
121.10085	2.6
123.13401	1.6
125.05902	1.5
125.09619	80.2
127.03892	2.3
130.08638	5.3
133.10121	4.9
135.04462	1.5
135.11736	3.1
141.01785	8.9
143.10663	29.4
147.04471	1.8
147.09161	5.1
175.14824	3.2
191.08191	6.7
199.13235	12.1
205.08612	3.0
206.08922	2.8
213.18373	3.1
217.14333	100.0
218.09239	2.7
218.14674	2.8
223.09596	2.4
250.10957	2.3
267.13104	2.2
273.15738	1.7
281.14935	4.9
296.62210	2.0
307.13144	2.1
325.13895	9.9
325.17926	4.1
343.18936	6.5
347.13425	2.2
363.86548	1.7
375.16382	2.1
393.17767	3.5
394.12360	2.1
410.70636	2.8
411.15613	5.7
411.20825	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	411.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
55.05262	2.6
55.05507	33.5
56.96554	2.2
57.03423	6.4
58.80892	1.5
65.51161	1.6
67.05503	12.7
67.05817	2.7
69.03406	7.0
69.07057	13.5
70.06571	7.2
71.04969	1.8
71.78544	2.8
72.08147	3.8
75.04493	2.2
79.05473	10.5
81.07053	20.5
83.04961	6.1
83.08601	12.0
85.02891	7.8
85.06538	4.1
86.09682	3.3
91.05447	2.1
95.01310	3.1
95.08591	3.4
97.02878	2.3
97.10156	45.9
98.97552	4.5
99.00816	2.1
103.03942	2.1
105.07000	2.3
107.08582	12.7
109.10149	2.4
109.16505	1.6
116.98629	2.4
119.08619	2.1
120.08904	2.1
121.10164	2.9
125.09618	78.1
127.03954	2.3
128.98564	1.8
129.07004	1.9
130.08618	4.2
133.10120	5.4
135.04344	2.1
135.11668	3.1
141.01822	4.9
143.10666	33.1
147.09183	5.6
158.99719	2.1
163.03920	2.3
175.14827	2.9
181.28178	1.8
191.08134	3.7
199.13295	16.2
206.08983	2.2
213.18527	3.5
215.09274	2.2
215.59422	2.3
217.14331	100.0
218.14645	2.2
224.09006	1.9
325.13779	6.0
325.17416	2.0
343.19061	3.9
393.17654	2.8
411.15622	6.5
411.19843	10.1
412.17264	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	409.3822
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03939	1.8
55.05504	9.6
57.07058	7.9
63.80389	1.1
65.65458	1.0
67.05495	12.3
69.07059	33.7
70.39279	4.2
71.08611	3.3
79.05494	6.8
81.07043	45.7
83.08613	14.8
91.05486	5.7
93.07027	19.2
95.05007	1.5
95.08592	45.9
97.10164	6.5
105.07018	11.5
107.08580	24.4
109.09394	2.1
109.10138	34.6
109.10863	2.0
111.11700	6.2
119.08557	15.9
121.10125	21.6
123.11684	21.0
123.12504	1.8
131.08563	4.7
132.92993	1.1
133.10097	16.5
135.11661	19.7
137.13228	14.4
145.10092	10.5
147.11658	14.7
149.05508	1.1
149.13243	16.4
151.14789	4.8
157.10117	2.5
159.11650	11.6
161.13225	10.0
163.14781	11.3
165.16341	1.4
169.35979	1.2
171.11670	3.2
172.12511	1.3
173.13242	9.1
175.14816	9.9
177.16364	9.2
179.17921	1.4
185.13243	3.1
187.14729	8.0
189.16336	9.1
191.17915	8.7
193.19344	1.3
199.14760	2.8
201.14728	1.3
201.16286	6.3
203.17931	10.7
205.19514	3.1
213.16370	3.1
215.17847	6.0
217.19475	6.5
219.21118	1.9
227.17975	1.6
229.19453	5.3
231.21092	5.0
241.19460	1.7
243.21077	4.4
245.22754	3.4
257.22513	7.9
259.24222	5.1
271.24118	8.2
283.24170	2.1
285.25729	8.3
297.25702	2.4
299.27399	2.7
311.27029	1.3
313.28778	3.1
325.28836	3.7
327.30429	6.8
339.30432	4.1
353.31967	5.3
367.33621	2.5
409.38245	100.0
410.38586	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	409.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38406	1.3
53.03923	1.9
55.05505	14.8
57.07068	8.5
59.70961	1.2
64.96559	1.3
65.13554	1.3
67.05497	28.0
69.07060	58.7
71.08624	3.4
71.50477	2.7
73.39185	1.3
79.05481	13.2
81.07043	100.0
82.07378	2.3
83.08605	18.2
91.05463	10.3
93.07027	30.4
95.04918	2.2
95.08591	86.9
96.08898	2.5
97.10155	10.4
101.65627	1.5
105.07014	20.2
107.08576	42.3
109.10142	60.7
111.11713	3.5
117.06967	1.8
119.08562	29.1
121.10126	46.6
123.11693	29.8
131.08507	8.2
133.10109	21.4
135.11673	27.5
137.13232	17.5
144.09354	1.4
145.10100	11.7
147.11687	18.3
149.13220	18.5
151.14813	3.8
157.10132	2.9
159.11667	18.0
160.12408	1.5
161.13249	19.5
163.14790	13.1
171.11659	3.4
173.13210	16.1
175.14804	14.9
177.16351	14.3
185.13206	2.3
187.14806	10.7
188.15295	1.5
189.16344	11.3
191.17892	5.5
199.14838	2.2
201.16400	6.5
203.17924	11.9
205.19513	2.5
209.42226	1.7
213.16359	3.4
215.17909	11.6
217.19485	7.7
219.21220	1.7
227.17848	2.6
228.18874	1.8
229.19493	14.7
231.20959	7.0
241.19362	2.2
243.21057	4.6
245.22609	2.2
257.22653	6.5
259.24179	5.9
271.24213	5.8
273.25781	1.5
274.38480	1.4
285.25732	6.3
297.25626	1.7
299.27338	3.1
325.28830	1.8
327.30426	6.1
339.30423	1.9
353.32166	2.8
367.33545	2.5
409.38235	82.2
410.38669	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05496	9.0
57.07058	3.6
65.03920	1.2
67.05495	16.0
69.07058	16.6
71.08627	1.3
79.05480	13.1
81.07047	37.5
83.08614	9.6
89.62074	1.2
91.05466	11.9
93.07034	31.6
95.04966	2.7
95.08595	68.4
97.06509	1.2
97.10157	4.4
98.20641	1.7
105.07019	29.5
107.04931	0.9
107.08579	60.3
108.08916	1.2
109.06507	3.1
109.10147	35.0
111.08112	1.3
111.11700	2.0
117.06977	4.5
119.08565	30.8
121.10129	55.2
122.10442	1.2
123.08037	1.6
123.11693	13.8
129.07045	1.0
129.76808	0.9
131.08548	14.4
133.10118	33.0
133.11139	1.6
135.08084	1.2
135.11674	23.0
137.13252	3.3
143.08568	1.9
145.10112	19.8
147.11667	22.1
147.12854	1.4
149.09465	1.1
149.13234	34.0
151.11172	2.2
157.10120	2.8
158.10893	1.2
159.11688	11.2
161.13243	14.0
163.11203	1.5
163.14799	20.5
169.02580	1.1
170.02948	1.0
171.11690	3.4
173.13222	7.8
175.14803	26.1
177.12804	2.0
177.16362	49.6
179.17938	1.2
185.13268	2.8
187.14804	21.9
188.15179	1.3
189.16367	18.4
189.90350	1.0
191.14352	1.3
191.17940	9.6
197.13098	1.1
199.14842	2.4
201.16341	7.2
203.17931	75.2
204.18279	2.3
205.15852	71.9
205.19275	5.7
206.16191	2.1
207.17372	1.2
213.16313	1.6
215.17931	3.7
217.15970	1.7
217.19481	4.3
219.17450	5.4
227.17911	1.1
229.19489	2.4
231.17406	6.7
231.21022	1.4
241.19495	1.5
243.21085	2.7
245.18959	7.0
257.19006	1.1
257.22516	2.1
259.20657	2.7
285.26007	1.0
351.54944	1.1
381.35083	2.7
391.33667	6.3
409.34619	100.0
410.34903	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68217	1.0
53.03933	1.5
55.05500	7.4
57.07057	3.3
67.05497	13.8
69.07056	15.1
69.58958	2.5
69.59364	8.5
71.05005	1.1
71.08629	1.0
74.25799	1.1
79.05487	11.5
81.07047	33.1
83.08601	7.6
83.11394	0.9
91.05473	15.6
93.07029	26.6
95.04963	1.8
95.08596	44.7
97.06538	1.0
97.10168	2.2
98.20770	2.2
104.89305	1.2
105.07015	26.3
107.08575	44.9
108.08884	1.3
109.06495	2.7
109.10142	20.7
111.08067	1.4
111.11723	1.1
117.07010	5.7
119.08564	37.2
121.09249	1.8
121.10129	30.4
123.08077	1.7
123.11687	10.7
129.06964	3.1
131.08545	19.7
133.10106	27.8
135.08049	3.4
135.11673	22.6
137.13228	8.2
142.07799	1.2
143.08533	5.9
144.09314	1.3
145.10106	28.9
147.11682	23.6
149.13239	20.5
151.14787	1.2
156.09402	1.1
157.10097	7.7
158.10910	2.0
159.11670	20.6
160.28543	0.9
161.13248	16.5
163.14798	23.7
165.12839	1.5
169.10117	2.5
171.11670	7.0
172.12390	1.6
173.13240	12.1
175.14809	12.6
177.16354	7.9
179.14301	3.0
183.11719	2.4
185.13228	7.9
187.14792	34.1
188.15256	1.8
189.12747	1.6
189.16377	17.0
191.17949	9.1
197.13284	2.8
198.13988	1.0
199.14806	6.8
201.16350	25.1
202.96353	1.0
203.17957	13.7
205.15878	3.9
207.17422	5.0
211.14795	1.3
213.16371	6.6
214.16776	1.2
215.17944	8.6
217.19533	3.6
219.17502	2.5
225.16357	2.4
227.17950	6.7
229.15907	1.2
229.19484	8.6
230.19644	1.4
231.20993	2.4
233.18953	1.3
239.17920	2.1
241.19481	5.9
243.21138	4.6
253.19434	2.6
255.21040	13.0
257.18991	2.3
257.22629	6.6
257.25003	1.1
259.20639	2.1
261.22150	1.4
267.21066	2.8
269.22601	10.2
281.22647	1.4
283.24362	1.1
285.22177	4.7
295.24112	1.4
321.25864	1.9
335.27127	2.1
391.33548	17.7
392.34268	2.2
409.34644	100.0
410.34903	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05496	9.0
57.07058	3.6
65.03920	1.2
67.05495	16.0
69.07058	16.6
71.08627	1.3
79.05480	13.1
81.07047	37.5
83.08614	9.6
89.62074	1.2
91.05466	11.9
93.07034	31.6
95.04966	2.7
95.08595	68.4
97.06509	1.2
97.10157	4.4
98.20641	1.7
105.07019	29.5
107.04931	0.9
107.08579	60.3
108.08916	1.2
109.06507	3.1
109.10147	35.0
111.08112	1.3
111.11700	2.0
117.06977	4.5
119.08565	30.8
121.10129	55.2
122.10442	1.2
123.08037	1.6
123.11693	13.8
129.07045	1.0
129.76808	0.9
131.08548	14.4
133.10118	33.0
133.11139	1.6
135.08084	1.2
135.11674	23.0
137.13252	3.3
143.08568	1.9
145.10112	19.8
147.11667	22.1
147.12854	1.4
149.09465	1.1
149.13234	34.0
151.11172	2.2
157.10120	2.8
158.10893	1.2
159.11688	11.2
161.13243	14.0
163.11203	1.5
163.14799	20.5
169.02580	1.1
170.02948	1.0
171.11690	3.4
173.13222	7.8
175.14803	26.1
177.12804	2.0
177.16362	49.6
179.17938	1.2
185.13268	2.8
187.14804	21.9
188.15179	1.3
189.16367	18.4
189.90350	1.0
191.14352	1.3
191.17940	9.6
197.13098	1.1
199.14842	2.4
201.16341	7.2
203.17931	75.2
204.18279	2.3
205.15852	71.9
205.19275	5.7
206.16191	2.1
207.17372	1.2
213.16313	1.6
215.17931	3.7
217.15970	1.7
217.19481	4.3
219.17450	5.4
227.17911	1.1
229.19489	2.4
231.17406	6.7
231.21022	1.4
241.19495	1.5
243.21085	2.7
245.18959	7.0
257.19006	1.1
257.22516	2.1
259.20657	2.7
285.26007	1.0
351.54944	1.1
381.35083	2.7
391.33667	6.3
409.34619	100.0
410.34903	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81720	1.0
55.05505	7.8
57.03414	1.3
57.07060	4.0
67.05493	13.4
69.07052	17.4
70.53965	2.6
70.54356	3.2
71.08644	1.5
79.05482	12.2
81.07040	33.1
83.08585	7.3
83.09020	1.1
91.05457	17.2
93.07025	30.8
95.04939	2.1
95.08588	53.1
97.06474	1.8
97.10156	4.6
103.05494	1.2
105.07012	29.1
107.08569	44.0
109.06488	1.7
109.10136	27.5
111.08089	1.6
112.99984	4.4
115.05386	1.4
117.06992	8.7
119.08557	38.7
121.10124	31.2
123.08016	1.4
123.11683	10.1
128.06111	1.3
129.07002	1.6
130.07852	1.3
131.08553	23.8
133.10101	27.0
135.08086	2.3
135.10634	1.5
135.11659	27.6
137.09569	2.7
137.13216	9.0
142.07710	1.4
143.08530	5.7
144.09369	1.2
145.10097	31.3
145.11208	2.3
147.07938	1.5
147.11656	20.5
149.09691	1.8
149.13242	12.7
151.11203	2.8
151.14798	1.5
156.09288	1.6
157.10078	6.5
158.10941	1.5
159.11691	18.0
161.09653	1.4
161.13237	20.3
163.14761	14.5
165.12720	1.8
169.02612	2.9
169.10106	2.1
170.02965	1.4
170.10812	1.5
171.03036	2.3
171.11633	6.2
173.13246	13.2
175.11124	1.4
175.14793	10.3
177.16391	3.9
179.14284	5.0
183.11639	1.8
185.13232	6.2
186.13936	1.8
187.14780	40.9
189.16380	14.9
191.17903	11.3
199.14793	4.6
201.16353	26.8
203.14288	3.4
203.17879	12.0
205.15901	3.8
205.19518	3.8
207.17430	4.4
211.14970	1.5
213.16396	4.0
215.17932	4.9
217.15907	4.5
217.19481	4.6
219.17467	1.2
227.17931	3.6
229.15865	1.7
229.19504	7.7
231.17407	1.2
239.17943	1.9
241.19447	2.4
243.20992	3.4
245.19035	1.8
253.19576	2.9
255.21117	5.5
257.22687	2.0
259.20584	1.9
269.22638	2.0
271.20474	2.6
274.65268	1.4
281.22662	1.5
283.24170	3.2
285.22052	1.3
339.26978	1.1
353.28131	2.6
391.33508	14.7
409.34607	100.0
410.35049	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.05504	20.2
57.07046	4.2
59.05001	4.4
63.54511	1.5
67.05492	29.4
69.07059	21.6
69.77239	6.0
69.77666	6.6
71.04988	15.1
71.08594	2.5
79.05482	22.1
81.07042	100.0
82.07378	2.5
83.08597	12.9
85.06532	5.5
89.06014	6.3
91.05463	25.4
92.92818	2.0
93.06411	2.6
93.07029	83.2
95.04943	5.6
95.08591	93.4
96.08926	2.0
97.06535	2.0
97.10134	11.6
102.89149	2.0
105.07011	57.2
107.08576	72.1
107.09311	3.4
109.06513	8.0
109.10141	49.9
109.10863	3.3
110.10507	2.4
111.08075	13.5
111.11732	3.1
113.09620	6.1
117.06268	1.8
117.06997	6.8
119.08563	86.3
121.10120	66.7
123.08061	1.9
123.11685	31.8
129.06903	1.9
131.08539	18.1
133.08620	3.4
133.10101	39.0
134.10472	1.8
135.11664	39.0
137.09589	5.7
137.13225	11.9
143.08524	5.5
145.10089	24.7
146.67918	1.8
147.11662	34.2
149.13222	70.6
150.13541	2.1
151.11159	4.3
151.14780	1.9
157.10121	9.6
159.11665	36.3
161.13225	37.8
163.14784	23.8
165.12695	2.3
169.10130	3.3
171.11598	9.9
173.13228	22.7
175.14790	25.9
177.12704	4.7
177.16359	13.3
179.14246	5.2
183.11743	3.8
185.13243	7.1
187.14795	18.9
189.16351	23.7
191.17949	11.9
193.15948	2.0
195.12250	7.3
196.12553	5.3
197.13220	4.4
198.32306	1.7
199.14841	8.3
201.16310	12.3
203.14221	1.7
203.17929	18.4
205.15837	2.5
211.14879	2.6
213.16403	10.0
215.17937	11.6
217.16144	2.1
217.19496	28.5
227.17896	10.7
229.19548	12.7
231.21054	13.8
239.17888	2.5
241.19414	6.9
243.21146	5.2
245.19063	2.5
253.19516	2.6
255.21065	10.9
257.22650	12.0
259.24191	12.3
265.19473	1.9
267.21082	3.6
269.22775	4.8
281.22708	2.3
283.24240	4.0
285.22067	2.9
295.24200	2.1
297.25903	3.2
313.24918	2.5
325.29019	3.1
327.26877	2.4
339.30701	2.8
351.30414	15.3
352.81693	1.8
363.30469	4.2
365.32016	2.1
381.60754	1.9
391.33624	19.2
409.34647	87.6
410.35022	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.7
53.03945	2.4
54.88667	1.2
55.05501	19.5
57.03411	1.3
57.07063	7.3
59.04996	1.5
65.03941	2.1
65.82976	1.2
66.80754	1.2
67.05494	18.7
69.03414	3.8
69.07062	19.5
69.50282	13.0
71.04971	1.5
71.08617	3.4
79.05480	23.6
81.07047	52.9
83.04961	1.4
83.08598	12.8
85.06535	5.6
88.35749	1.2
91.05467	36.0
93.07027	48.5
95.04961	16.9
95.08595	70.6
96.08911	2.2
97.06512	5.5
97.10159	4.8
103.05453	1.4
105.07017	74.6
106.07366	1.3
106.87868	1.2
107.08575	68.8
109.06503	9.1
109.10146	40.0
109.10857	2.6
110.58581	1.1
111.08063	3.9
115.05463	1.7
117.07007	10.7
119.08563	87.8
121.06487	7.3
121.10126	57.0
122.10455	1.9
123.08019	7.7
123.11690	18.0
128.06244	3.4
129.07007	4.0
130.07773	1.7
131.08545	30.2
132.09309	1.1
133.06482	2.5
133.10112	53.7
135.08020	10.6
135.11671	36.5
137.05867	1.7
137.09604	3.9
137.13229	7.7
139.11180	1.4
141.07022	2.0
142.07785	4.7
143.08565	11.1
144.09312	3.9
145.08945	2.4
145.10107	50.1
146.10524	1.4
147.08037	7.0
147.11659	40.0
148.12076	1.3
149.09589	7.4
149.13254	18.9
151.07555	5.6
151.11171	3.0
151.14845	2.2
153.09024	1.3
155.08560	3.6
156.09337	3.7
157.10098	15.7
158.10793	1.9
159.08034	1.9
159.11690	26.1
160.12193	1.5
161.09601	5.0
161.13248	32.4
161.14507	2.2
163.11163	4.9
163.14803	19.3
165.09099	10.1
165.12787	1.8
167.08533	1.3
168.09300	1.6
169.10110	6.6
171.11647	13.0
172.12384	2.5
173.09720	1.8
173.13235	24.3
174.13608	2.0
175.11163	9.8
175.14804	30.4
176.15121	2.1
177.12784	2.6
177.16345	22.8
179.14310	3.3
181.10179	3.0
181.12242	1.2
183.11646	7.5
185.13210	13.3
185.14516	1.4
186.13872	1.6
187.11191	1.9
187.14804	49.7
188.15114	2.1
189.12769	4.0
189.16371	42.0
191.14285	3.1
191.17886	15.3
193.15939	1.7
195.11772	2.0
196.12392	1.8
197.13283	4.5
199.11208	1.5
199.14793	9.9
201.12761	3.9
201.16364	28.5
203.14291	19.3
203.17923	19.8
205.12273	1.5
205.15860	13.5
205.19571	3.2
207.13802	2.1
207.17398	4.8
209.13318	2.8
209.15421	1.5
211.14760	4.4
213.12701	1.8
213.16306	8.5
215.17900	13.4
216.18228	1.6
217.15858	2.6
217.19409	7.4
219.13826	3.3
219.17442	4.0
221.15317	24.1
222.15768	1.3
223.14995	1.6
224.15549	1.2
225.16386	3.9
227.17903	15.1
229.15915	2.7
229.19543	7.6
231.17316	2.1
231.21046	3.0
233.15376	2.8
233.19014	3.5
234.16109	4.2
235.20523	1.4
239.17880	6.3
241.19548	4.9
243.21124	2.4
245.18971	2.0
251.17888	1.8
253.19553	2.5
255.21095	6.8
257.22690	2.5
259.20563	1.5
261.22116	1.7
267.21008	1.6
269.22543	3.0
271.16769	1.3
273.22089	1.4
281.22519	1.4
285.21936	1.9
287.20020	2.5
293.22647	2.3
295.24231	2.8
307.24219	2.7
313.25235	3.2
321.25769	1.6
329.20972	1.6
336.74112	1.3
353.24545	2.2
363.30331	10.7
391.25937	3.0
391.33664	24.6
409.26654	3.6
409.35117	100.0
410.30539	1.9
410.35660	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
53.15073	1.4
55.01839	1.4
55.05500	21.5
55.44589	1.1
57.07071	9.5
57.66901	1.2
59.04983	3.6
65.03926	1.4
67.05491	28.8
69.03415	4.1
69.07057	23.8
69.57847	11.6
71.04967	3.5
77.03887	2.2
79.05068	2.2
79.05482	26.5
81.03386	1.7
81.07043	60.3
83.04963	4.5
83.08608	11.4
85.06523	3.5
85.10152	1.4
89.05989	2.5
91.05461	39.4
93.07027	63.0
95.04953	32.5
95.08592	83.3
96.31176	1.4
97.06495	6.7
97.10141	7.3
99.08086	1.7
103.05440	2.0
105.07016	100.0
106.07313	1.8
107.08574	62.8
109.06515	8.4
109.10142	39.8
111.08041	3.1
113.09612	1.5
115.05457	2.3
117.06973	10.6
119.08565	89.1
120.08890	3.1
121.06496	10.7
121.10124	62.4
123.08047	10.9
123.11689	18.9
125.09598	2.4
128.06194	5.3
129.06993	7.5
130.07791	3.0
131.08545	31.2
132.08969	2.0
133.06445	3.1
133.10110	56.6
134.10477	1.9
135.08011	9.0
135.11665	32.4
137.09572	5.2
137.13205	6.4
139.11125	2.3
141.07002	2.9
142.07784	7.9
143.08548	16.9
144.09262	2.7
145.06494	1.7
145.10095	53.9
146.10852	2.3
147.08032	9.5
147.11656	58.4
149.09587	10.3
149.13240	21.4
151.07518	12.7
151.11154	3.3
151.14809	2.2
155.08537	7.4
156.09271	5.5
157.10120	22.2
158.10806	3.2
159.08000	4.8
159.11674	33.2
160.08801	1.8
160.12213	2.5
161.09590	5.5
161.13243	24.5
163.11118	5.1
163.14813	15.1
165.09122	17.9
165.12750	7.5
167.08571	1.7
168.09288	2.6
169.10123	8.8
170.10870	3.8
171.11649	12.6
173.09544	3.6
173.13226	19.5
175.11157	20.8
175.14792	29.7
176.15112	1.5
177.08980	2.3
177.12679	2.5
177.16341	30.8
179.08507	1.4
179.14275	2.3
181.10066	3.2
181.12234	2.1
182.10814	2.9
183.11632	10.7
185.09528	2.0
185.13222	11.1
186.13701	2.3
187.11230	2.0
187.14796	32.3
188.15154	1.9
189.12691	3.9
189.16354	40.7
190.16628	1.3
191.14293	5.0
191.17917	16.9
193.10143	1.9
193.15839	4.1
195.11697	5.2
196.12473	1.9
197.13231	6.7
199.11122	2.0
199.14822	12.0
201.12724	5.6
201.16351	20.5
202.16803	1.8
203.14296	7.9
203.17918	34.0
204.18146	1.7
205.15842	15.2
205.19516	2.1
207.13786	4.2
207.17442	5.2
209.13264	2.7
211.14816	5.3
213.12756	1.4
213.16396	11.4
214.16948	1.9
215.14441	3.3
215.17917	16.7
217.15965	2.8
217.19431	4.9
219.13759	3.5
219.17395	9.9
221.13290	1.8
221.15318	39.4
221.18953	4.8
222.15735	1.7
223.14775	1.4
225.16391	3.9
227.17929	5.1
229.15915	3.0
229.19447	5.2
231.13782	1.6
231.17345	3.6
233.18906	10.7
234.16115	10.4
235.16650	2.0
239.17967	4.1
241.19519	5.6
243.21056	4.8
245.19029	3.2
247.14676	1.4
251.17909	2.7
253.19485	3.9
255.20998	9.5
257.22614	3.3
265.15753	1.5
265.19318	1.7
267.20956	2.4
269.22711	2.9
278.59122	1.7
281.22485	1.8
287.19989	5.0
300.20761	2.8
321.25598	1.6
325.62750	1.4
329.21121	2.3
363.30170	1.7
373.24854	1.8
381.35028	2.0
391.26276	3.2
391.33582	31.0
392.31592	2.1
409.27087	28.7
409.34531	76.7
410.27548	3.8
410.34805	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.5
55.05500	11.1
57.07071	3.1
59.04943	0.7
65.03918	1.2
67.05492	18.2
69.03364	0.7
69.07056	20.5
69.76599	4.2
71.08581	0.8
77.55314	0.6
79.05478	15.1
81.07042	34.7
83.04942	1.5
83.08157	0.8
83.08602	9.3
84.42085	0.7
85.06526	0.8
91.05459	13.4
93.07026	37.0
95.04920	2.7
95.08590	73.0
96.08897	1.0
97.06464	1.1
97.10162	4.3
98.20647	0.8
104.97350	0.7
105.07009	32.5
107.04928	1.0
107.08574	65.5
109.06490	1.9
109.10134	33.4
110.10538	0.6
111.08047	1.5
111.11665	2.7
117.06992	3.9
119.08557	34.5
121.06457	2.4
121.10122	53.7
122.10445	1.3
123.07964	0.7
123.11678	12.4
129.06985	1.2
130.07735	0.8
131.08549	9.2
133.10103	32.8
135.08035	5.7
135.11668	23.5
137.09566	2.2
137.13203	3.6
143.08505	2.9
144.09283	1.0
145.00592	0.7
145.10100	18.0
146.10417	0.7
147.11656	24.3
148.11943	0.8
149.09541	1.7
149.13234	37.8
150.13663	0.8
151.11055	1.0
151.14838	1.3
153.12680	0.7
157.10097	3.9
158.10831	1.2
159.11665	10.4
160.12335	1.1
161.09552	1.4
161.13232	15.0
162.10374	0.7
163.11150	17.3
163.14790	28.9
171.11665	3.2
172.12294	1.0
173.13242	7.4
174.13756	0.7
175.11180	1.3
175.14789	26.7
177.12833	4.6
177.16347	41.3
178.16664	1.4
179.14352	0.9
183.11588	1.2
185.13194	2.6
187.14781	18.9
189.16344	19.2
191.14230	1.3
191.17897	12.1
197.13284	1.0
199.14767	2.6
201.16362	9.7
203.17917	100.0
204.18236	4.2
205.15843	57.4
205.19189	5.1
206.16220	1.5
207.17416	1.6
213.16295	4.0
215.17934	6.5
217.15900	1.3
217.19456	2.8
219.17438	6.3
225.16412	0.8
227.17931	2.3
229.19511	3.0
231.17403	5.5
231.21045	1.7
233.18912	1.2
239.17899	1.7
241.19455	4.3
243.21016	2.6
245.18991	2.6
246.76315	0.7
253.19423	1.3
255.21100	3.0
257.18921	1.0
257.22531	1.0
259.20605	0.9
267.21063	1.2
271.20657	1.2
289.88141	0.8
295.24066	1.1
313.25281	1.3
329.47900	0.7
335.27310	1.6
367.29895	1.3
381.34937	3.8
391.33661	9.1
392.34061	0.9
409.25851	2.8
409.34650	99.6
410.34872	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89264	0.9
53.03950	1.5
53.87452	0.8
55.05501	8.8
57.03417	1.1
57.07067	3.7
59.04988	1.2
67.05176	1.3
67.05498	15.7
69.03402	1.0
69.07058	19.4
71.05016	1.1
79.05479	15.0
81.07043	47.9
83.04958	1.4
83.08613	8.4
91.05460	15.3
93.07030	34.6
95.04941	2.6
95.08594	66.8
97.06518	1.2
97.10165	4.2
103.05473	1.0
105.07012	31.5
105.07713	2.1
107.08576	58.7
109.06510	2.2
109.10137	38.4
110.10461	1.0
111.08051	2.3
111.11713	1.9
115.61050	0.9
117.07001	3.7
119.07713	1.8
119.08565	36.8
121.06541	1.3
121.10120	49.9
122.10419	1.2
123.08054	3.1
123.11687	16.5
125.09596	1.1
129.06961	1.4
131.08553	13.4
133.10103	30.9
135.03804	1.0
135.08081	3.7
135.11667	25.2
136.12100	1.1
137.09586	1.3
137.13235	8.4
139.11108	1.4
142.07668	1.1
143.08528	6.5
145.10106	21.6
147.11658	26.8
149.09666	1.4
149.13231	29.1
151.11133	2.3
151.14803	2.1
153.12776	1.6
157.10072	7.5
158.10822	1.3
159.11668	15.0
161.13225	15.9
163.11153	7.8
163.14799	19.0
165.12717	6.5
165.16484	0.9
166.13133	0.9
168.38934	0.9
169.10078	2.4
171.11646	5.2
173.13249	13.7
175.11214	1.2
175.14807	23.3
177.12767	3.5
177.16362	34.6
178.16710	1.1
179.14276	1.1
183.11696	2.7
185.13275	3.9
187.14787	20.5
189.12767	1.2
189.16364	19.0
191.14287	2.2
191.17914	11.3
193.15999	1.1
197.13234	2.6
199.14810	8.4
201.16374	11.1
203.17928	61.6
204.18321	2.5
205.15858	45.5
205.19528	3.9
206.16258	1.4
207.17297	1.4
211.14899	1.7
213.16327	5.4
214.17113	2.5
215.17903	8.6
217.15936	2.3
217.19455	6.2
219.17532	5.1
227.17961	3.6
229.19513	4.3
229.91055	1.0
231.17416	4.2
231.21048	1.8
233.18979	1.7
239.18010	2.2
241.19514	4.1
243.21043	2.3
245.19044	5.7
245.22517	2.6
253.19458	1.5
255.21048	6.1
257.19220	1.8
257.22711	4.8
259.20667	2.8
267.20990	1.9
269.22623	1.2
271.20453	1.6
281.22592	1.7
285.22351	1.7
313.25244	1.2
321.25830	1.3
353.28354	1.5
381.35019	2.7
391.33566	10.5
409.34644	100.0
410.35010	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	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.65090	1.1
55.05503	15.5
57.03847	1.1
57.07068	3.5
65.03938	1.2
65.20336	1.0
67.05493	24.8
67.08562	1.0
67.26149	1.1
69.07057	26.1
70.39024	4.0
71.04990	2.2
71.08618	1.0
72.33961	1.3
79.05476	21.4
81.07042	65.6
82.07381	1.5
83.08614	11.2
84.08125	1.4
91.05466	19.5
93.07027	46.7
94.07327	1.8
95.04948	3.3
95.08591	91.2
96.08932	2.0
97.06528	2.5
97.10112	6.3
99.08082	1.6
100.66852	1.1
105.07014	43.8
107.08574	70.3
108.08901	2.4
109.06472	2.8
109.10137	42.1
111.08073	4.3
111.11692	3.8
115.05369	1.2
117.07003	8.2
119.08557	53.9
120.08904	2.1
121.10123	60.2
123.08052	2.4
123.11674	16.4
125.09644	2.7
129.06975	3.9
131.08542	20.0
133.10107	39.3
135.11671	32.9
137.13249	15.7
139.11160	23.0
142.07782	1.5
143.08562	9.9
145.10100	30.0
147.11652	29.3
148.12096	1.3
149.13225	37.3
151.11122	1.7
151.14844	2.0
153.12764	1.7
155.08539	2.8
156.09299	1.5
157.10107	11.6
158.10878	1.1
159.08011	1.2
159.11674	21.3
161.09627	1.4
161.13226	20.2
163.11256	1.6
163.14798	17.4
165.12785	2.6
165.16391	1.5
169.10109	2.6
171.11678	15.2
172.12321	1.3
173.09621	2.4
173.13231	28.0
175.14796	41.4
175.16351	2.4
176.15121	1.5
177.12703	2.6
177.16356	26.0
182.10913	1.4
182.71417	1.3
183.11705	4.5
185.13228	14.3
187.14796	33.2
189.16345	31.3
190.16765	1.7
191.14281	1.5
191.17970	5.3
193.15833	3.0
195.13799	1.0
195.17422	33.1
196.17798	1.4
197.13237	5.4
199.14778	13.9
200.15273	2.0
201.16336	20.4
203.14287	2.1
203.17917	18.9
205.15860	3.3
205.19557	2.8
207.17476	1.4
209.13213	1.5
211.14795	3.1
213.16324	16.6
213.18199	1.4
214.17143	4.0
215.17934	25.2
217.12497	1.4
217.15854	2.9
217.19540	5.1
219.17441	2.4
219.99878	1.2
225.16382	5.0
227.17860	9.7
229.19421	7.2
231.17412	2.2
231.21091	3.4
239.17923	4.8
240.18668	1.4
241.19479	13.4
243.21021	8.5
245.18964	2.7
247.20644	1.6
253.19470	3.4
255.21049	14.0
257.22668	4.5
259.16855	1.4
259.20465	2.4
267.21078	4.8
269.22662	7.3
271.07016	2.4
271.16882	4.2
281.22729	2.2
285.22134	3.0
287.23727	1.4
295.24274	2.4
313.24985	1.7
339.26678	2.3
349.28970	1.9
351.30362	14.7
353.28293	1.5
363.30481	4.3
381.35135	1.8
391.33643	12.8
409.12827	2.1
409.34995	100.0
410.35440	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	409.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.8
55.01847	0.8
55.05501	8.0
57.07043	2.1
65.03934	0.8
67.05495	9.2
69.06747	0.9
69.07059	11.2
70.51194	2.6
71.08585	0.9
79.05482	9.4
81.07045	21.8
83.08169	0.9
83.08604	13.0
85.06530	0.8
85.10143	1.1
91.05465	12.0
93.07030	19.1
95.04923	2.7
95.08006	1.6
95.08591	27.6
96.08922	0.9
97.06478	0.9
97.10143	3.9
99.23349	0.8
103.05442	0.9
105.07017	32.1
106.07350	1.1
107.08580	34.6
107.09321	1.7
108.08884	0.8
109.06474	2.1
109.10142	21.6
115.05404	0.7
117.06994	5.6
119.08567	38.3
120.08836	0.8
121.06405	1.0
121.10126	25.5
121.79621	0.7
123.08026	1.6
123.11680	10.3
128.06149	1.1
129.06961	3.4
131.08551	17.6
133.10107	37.6
134.10435	1.3
135.07947	1.0
135.11679	25.4
137.13231	4.1
141.06992	0.9
143.08540	7.3
144.09270	1.1
145.10100	19.6
147.10582	1.1
147.11667	18.1
149.09566	1.8
149.12276	0.8
149.13248	9.1
151.07500	1.2
151.14748	2.3
153.09093	0.9
155.08467	1.7
156.09303	1.6
157.10101	10.0
158.10986	0.9
159.11670	13.4
161.09540	1.6
161.13252	10.8
163.07481	1.1
163.11098	1.0
163.14803	12.0
164.15086	0.9
165.09062	1.5
167.08498	0.9
168.09399	0.8
169.10034	3.7
171.11655	12.5
172.12245	1.3
173.11835	1.2
173.13240	18.7
174.13573	0.8
175.11191	1.9
175.14795	23.6
176.15086	1.2
177.14906	1.0
177.16367	12.9
181.10092	0.7
181.12090	1.2
182.10844	1.3
183.11697	4.5
185.13229	11.3
186.13625	0.9
187.14804	24.9
188.15013	1.0
189.16362	43.9
190.16673	1.6
191.14261	0.7
191.17958	3.4
195.11606	1.5
197.13193	4.3
199.14804	6.6
201.12680	0.9
201.16342	11.4
202.22710	0.7
203.17958	5.0
205.15778	1.3
207.13731	1.5
209.13272	1.0
211.14737	3.4
212.15485	1.1
213.16359	7.3
215.14600	1.1
215.16002	1.3
215.17923	24.3
216.18314	1.4
217.12271	1.0
217.19402	1.4
219.13808	6.4
220.58684	0.7
221.15308	2.4
223.14716	1.7
225.16331	5.2
225.66533	0.6
227.17915	31.2
228.18311	1.6
229.19450	2.6
231.13705	1.2
233.15273	2.1
237.16269	2.5
239.17934	8.2
241.19456	6.9
243.20970	1.0
245.15353	1.4
251.17863	1.8
253.19444	1.7
255.20979	2.7
259.16870	2.0
265.19449	1.2
267.21027	4.7
269.22488	1.0
271.16910	4.0
273.18442	1.2
279.20996	2.6
281.22556	2.2
285.18436	4.4
285.21365	0.8
285.40707	0.7
287.19968	2.0
293.22629	3.7
299.20093	1.2
307.24124	4.3
311.19629	1.1
313.21738	1.3
321.25629	1.4
327.23218	0.9
335.26926	0.8
339.22986	2.4
353.24744	4.7
363.30417	21.4
364.30740	2.4
391.29684	2.5
391.33414	2.8
409.30753	100.0
410.31131	8.4
426.33301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.05499	11.4
57.07034	3.5
65.03922	1.5
67.05492	15.8
69.03382	1.4
69.07062	13.0
70.21461	2.3
70.21851	2.4
71.04971	1.5
76.24251	0.9
77.03899	1.0
79.05482	15.8
81.07041	33.2
83.08605	9.5
85.06500	1.0
85.97983	1.1
91.05462	22.6
93.07027	45.6
95.04948	11.8
95.08590	52.7
97.06498	2.3
97.10130	3.0
103.41390	0.9
105.04338	1.0
105.07016	48.4
106.07270	1.1
107.08576	55.9
109.06480	3.5
109.10136	39.3
110.10476	1.0
111.08037	1.3
111.11674	1.0
117.07008	8.0
119.04966	1.1
119.05887	1.0
119.08568	48.4
120.08854	1.5
121.06474	3.0
121.10126	100.0
122.10463	2.0
123.08015	3.9
123.11687	13.0
125.09583	1.3
129.06950	4.3
130.07713	2.3
131.07629	1.5
131.08539	22.4
133.10109	34.5
135.08041	2.6
135.11665	31.8
137.09549	3.2
137.13286	6.7
141.06905	2.1
142.07765	3.1
143.08551	10.9
144.09265	1.9
145.10095	28.3
146.10593	1.2
147.07996	3.5
147.10588	1.6
147.11668	28.8
148.11952	1.2
149.09572	2.8
149.13228	13.3
151.07460	3.6
151.14749	1.3
153.06924	1.0
153.09038	1.6
155.08580	4.7
156.09277	2.0
157.10104	12.8
158.10828	1.1
159.08051	1.6
159.11674	22.5
160.12262	1.1
161.09587	2.4
161.13239	17.8
163.11150	2.3
163.14792	16.7
165.09079	6.5
165.12784	1.9
167.08484	1.3
169.10117	6.5
170.10849	1.2
171.11659	14.5
172.12302	1.9
173.09624	2.0
173.13232	20.5
175.11214	6.1
175.14790	27.2
177.09032	1.2
177.16338	12.5
181.10156	1.8
181.12024	1.0
183.11662	5.9
185.13225	11.6
187.11151	1.5
187.14792	23.2
189.12724	2.0
189.16360	29.2
190.16722	1.2
191.14255	1.0
191.17882	3.4
193.15767	1.4
195.11612	2.2
197.13246	5.5
199.14790	9.5
201.12674	2.1
201.16356	13.7
203.10651	1.2
203.14253	2.9
203.17908	11.2
205.15822	2.9
207.11731	1.2
207.13708	1.9
207.17464	1.4
209.13106	2.8
211.14709	4.7
212.15524	1.3
213.16376	9.3
214.16837	1.2
215.14395	1.7
215.17914	21.6
217.19402	2.2
219.13669	3.4
221.13281	1.5
221.15326	14.2
223.14732	2.8
225.16403	5.4
227.17896	17.7
228.18179	2.0
229.19438	5.1
231.13812	1.1
233.15154	2.3
233.18846	1.8
234.16042	4.4
237.16216	1.6
239.17932	8.3
241.19476	13.3
243.20988	4.6
245.18994	1.6
251.17932	1.8
253.19496	3.2
255.21031	10.9
259.16956	2.6
259.20328	1.5
261.18320	1.6
265.19443	1.2
266.20325	1.3
267.20926	4.1
269.22604	3.1
271.16901	2.3
273.18414	2.9
279.20926	2.6
281.18848	1.0
281.22620	1.5
285.18494	7.4
285.21262	1.7
287.19980	6.5
293.22437	4.3
295.24069	1.6
299.19849	3.4
301.21564	5.0
307.23975	4.2
313.21503	2.3
325.21313	1.3
329.20975	1.3
339.23053	2.5
353.24545	3.8
363.30432	34.3
364.30533	2.9
365.31915	1.4
391.25693	1.8
391.33740	7.1
409.30731	82.1
409.34293	8.7
410.31265	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	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03931	4.9
55.01862	2.4
55.05500	23.7
57.07056	8.9
59.04977	2.9
65.03919	2.1
66.25713	2.0
67.05495	31.0
69.03410	6.9
69.07057	19.0
70.96481	5.0
71.04998	3.5
72.82991	1.7
77.03915	2.2
79.05486	26.3
81.07043	59.1
81.99183	1.8
83.04956	5.3
83.07139	1.6
83.08617	8.5
85.06523	4.0
91.05465	41.7
93.07030	73.6
95.04387	3.2
95.04959	49.9
95.08591	58.8
96.08966	2.2
97.06488	8.6
97.10139	4.7
99.08066	1.8
103.05433	4.2
105.07012	100.0
107.04915	2.5
107.08577	58.7
109.06495	14.0
109.10143	38.9
111.08038	3.6
115.05418	3.7
117.07001	14.6
119.08564	77.4
121.06497	18.2
121.10126	56.8
123.08043	21.1
123.11723	10.3
125.05989	1.8
125.09616	3.4
128.06210	5.7
129.06996	10.3
130.07764	5.3
131.08549	35.2
133.06467	6.1
133.10106	43.4
135.08022	13.4
135.11664	21.0
136.14325	1.7
137.09596	10.4
137.13246	7.1
141.06979	5.2
142.07777	14.0
143.08539	22.5
144.09300	6.0
145.06488	3.4
145.10107	62.1
145.94858	1.8
146.10608	2.3
147.08029	15.1
147.11658	44.2
149.09590	10.9
149.13249	11.1
151.07536	16.5
151.11151	2.0
152.69252	1.8
153.09131	3.0
154.07768	2.4
155.08557	9.7
156.09315	9.9
157.10114	31.6
158.10770	2.6
159.08046	5.6
159.11699	30.0
161.09630	10.0
161.13197	14.7
163.11182	6.2
163.14777	10.8
165.07022	2.5
165.09091	30.0
167.08630	3.1
168.09303	5.8
169.10110	14.5
170.10863	3.7
171.11642	18.7
172.12331	2.1
173.09604	8.0
173.13242	25.5
175.11159	22.3
175.14783	14.7
177.09163	3.6
177.12697	2.6
177.16373	9.6
179.08527	3.1
179.14386	2.6
181.10091	5.5
181.12279	1.8
182.10959	3.3
183.11646	16.0
185.13277	13.7
187.11179	5.6
187.14784	33.7
189.12685	8.9
189.16331	19.5
191.14276	3.5
191.17924	5.7
193.10146	2.2
195.11700	5.5
197.13234	7.2
199.11098	3.5
199.14761	9.4
201.12820	9.8
201.16347	27.4
203.14276	12.4
203.16257	1.6
203.17867	9.0
205.15961	1.9
207.11850	2.5
207.13783	8.8
207.17418	4.3
208.12260	2.3
209.13246	5.0
209.15259	3.9
211.14827	9.2
213.12805	4.2
213.16386	7.4
215.14388	2.3
215.17960	10.1
216.14914	2.9
217.19458	2.4
219.13716	2.9
221.13440	2.2
221.15329	62.7
223.14781	3.3
225.16347	6.2
227.17952	7.0
229.15810	5.4
229.19424	4.7
231.13814	1.9
233.15236	4.1
234.16071	10.4
235.14610	2.4
239.14232	2.5
239.17867	5.4
241.19524	8.8
243.21030	2.7
249.16216	2.0
253.15874	3.8
253.19536	4.0
255.21021	8.9
257.22623	6.6
265.19604	1.7
267.21085	4.8
269.22681	4.7
285.18405	3.5
286.19473	4.0
287.20053	8.5
299.19995	3.6
300.20743	2.8
307.24207	1.8
312.20746	2.3
313.21466	2.6
329.20908	3.9
363.30630	9.6
391.26120	6.1
391.33673	10.8
409.27173	55.4
409.34576	57.6
410.27600	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.7
55.01844	2.5
55.05503	21.2
57.03416	2.0
57.07059	6.2
59.04982	3.0
59.95744	1.5
67.05494	31.0
69.03427	9.4
69.07063	16.1
71.04983	2.6
71.80407	1.8
77.58374	1.4
78.58421	1.4
79.05482	26.3
79.13276	1.4
80.31306	1.6
81.03409	2.6
81.07042	57.2
83.04967	5.1
83.08612	8.8
85.06509	5.3
86.59296	1.5
89.06059	2.5
91.04910	3.0
91.05460	42.4
91.71091	1.4
93.07030	69.5
95.04955	45.1
95.08595	68.6
96.08921	1.5
97.06509	14.5
97.10159	3.8
99.08081	2.0
103.05410	2.3
105.07018	100.0
107.08579	58.9
109.06481	11.9
109.10138	43.7
111.08083	1.9
111.11676	2.0
113.74286	1.6
115.05421	2.1
117.06999	14.9
119.08565	80.9
121.06496	17.1
121.10131	65.1
123.08069	18.3
123.11678	14.3
128.06209	7.1
129.06998	10.2
130.07753	5.0
131.08556	36.4
132.09248	1.6
133.06456	4.5
133.10114	43.3
135.08017	8.8
135.11681	29.1
137.09579	11.0
137.13190	4.8
139.11145	1.9
141.06932	4.8
142.07753	10.4
143.08560	24.2
144.09290	3.5
145.10109	60.2
146.10538	1.8
147.08014	14.3
147.11664	48.2
148.08795	1.9
149.09587	6.6
149.13243	14.7
151.07512	21.5
151.11133	2.3
153.07013	1.8
153.09079	2.4
153.12762	2.4
155.08562	10.8
156.09334	7.6
157.10115	30.0
158.10916	1.7
159.08023	6.3
159.11668	32.9
160.08824	1.9
161.09558	9.7
161.13229	18.0
163.11157	6.0
163.14771	12.0
165.09082	25.8
165.12613	1.8
166.50963	1.8
167.08536	3.5
168.09340	4.4
169.10117	14.1
170.10864	4.5
171.11691	20.9
172.12370	1.8
173.09604	4.7
173.13220	23.7
174.10327	1.6
175.11182	20.6
175.14787	15.9
177.09056	4.2
177.16354	11.0
178.09946	2.1
179.08510	3.1
179.14333	1.7
180.09216	2.3
181.10098	6.1
181.12187	3.4
182.10811	3.0
183.11653	14.6
184.12372	2.0
185.09576	3.2
185.13257	16.1
185.36064	1.5
186.13911	2.2
187.11111	3.9
187.14795	37.9
187.16327	3.2
189.12706	8.1
189.16342	22.9
191.14326	2.6
191.17906	6.7
193.15718	2.0
194.10803	1.8
195.11687	6.3
196.12482	3.4
197.13249	9.4
199.14790	8.5
201.12770	8.8
201.16341	24.9
203.14259	10.7
203.17853	10.4
205.15784	2.7
207.11870	3.4
207.13794	6.8
207.17404	2.5
209.13261	4.7
209.15259	3.8
211.14816	8.9
212.15259	2.3
213.12698	2.1
213.16386	8.8
215.14354	3.7
215.17896	11.7
217.15775	2.6
219.13760	5.0
221.13284	3.3
221.15321	58.4
222.15678	3.0
223.14746	5.4
225.16322	4.6
227.14377	2.3
227.17914	8.8
229.12148	2.2
229.15852	5.4
229.19427	8.1
231.13734	2.3
233.15340	5.1
234.16060	12.2
239.14369	2.1
239.17824	3.4
241.19545	8.9
243.13875	1.9
243.21124	4.0
253.15727	4.0
253.19463	5.5
255.21158	12.0
257.22589	6.0
267.21030	3.4
269.18890	1.8
269.22568	5.0
271.17081	1.9
273.18686	1.9
283.20541	2.0
285.18491	4.9
286.19226	4.4
287.20010	9.3
299.20132	3.1
300.20831	3.7
301.21613	3.1
311.20258	1.8
313.21817	2.9
329.21094	5.4
363.30438	12.6
376.18906	1.6
391.26102	5.8
391.33554	11.8
409.26520	41.5
409.35205	60.9
410.27399	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01862	2.2
55.05502	20.7
55.38257	1.3
57.03408	2.0
57.07066	8.1
59.04984	3.7
61.44632	1.1
65.03929	3.8
67.00721	1.5
67.05497	37.5
69.03413	5.5
69.07055	18.1
70.87941	3.7
71.04995	2.4
79.05479	26.8
81.03418	3.1
81.07047	50.6
81.07530	2.7
83.04980	5.9
83.08610	5.0
85.06535	6.2
91.05472	38.8
93.07031	51.4
95.04953	42.0
95.08596	64.1
96.08891	1.6
97.06508	9.3
97.10143	3.7
103.05442	3.7
105.07016	100.0
106.07327	2.2
107.04951	1.8
107.08578	48.1
109.06509	13.5
109.10149	34.2
110.10425	1.2
111.08060	6.6
111.11743	1.9
113.25818	1.2
115.05441	1.6
116.06244	2.1
117.07001	16.0
119.04902	2.1
119.08566	72.0
121.06488	14.7
121.10130	32.4
123.08053	16.1
123.08891	1.8
123.11678	11.4
125.06008	1.2
125.09596	1.7
128.06218	4.9
129.06996	10.7
130.07722	3.9
131.08548	78.9
133.06468	4.6
133.10107	29.8
135.08023	12.5
135.11668	24.2
137.06003	2.7
137.09596	7.7
137.13240	6.2
139.11160	2.7
141.06998	4.6
142.07791	10.6
143.08549	20.8
144.09305	5.7
145.06491	2.5
145.10110	46.9
146.10664	1.2
147.08026	14.5
147.11673	45.3
147.12852	2.5
149.09601	11.8
149.13240	15.1
151.07513	14.0
151.11180	2.4
151.14734	1.2
154.07747	1.7
155.08501	5.8
156.09325	5.6
157.10118	21.7
158.10875	2.6
159.08052	5.3
159.10368	1.9
159.11671	22.9
160.08789	1.3
161.09633	7.5
161.13260	11.7
163.11169	4.2
163.14812	8.7
165.09096	24.1
167.08553	2.3
168.09341	3.4
169.10121	10.1
170.10963	3.1
171.08025	1.3
171.11679	15.2
172.08849	1.3
173.09621	4.4
173.11821	2.8
173.13219	12.7
174.10284	2.2
175.11165	28.4
175.14790	12.3
177.09119	5.0
177.12825	1.9
177.16319	9.9
178.09883	2.8
179.08559	2.1
181.10103	5.4
181.12164	3.3
182.10979	1.9
183.11678	10.8
185.09627	1.6
185.13278	10.5
187.11154	3.2
187.14801	44.0
188.15302	1.8
189.12685	5.8
189.16367	9.6
191.14322	4.1
191.17938	4.5
193.10104	2.8
193.15825	3.0
194.10953	3.3
195.11710	5.1
195.17422	2.4
196.12360	2.2
197.13237	4.2
199.11177	2.8
199.14825	8.7
199.16380	1.6
201.12750	7.5
201.16389	11.5
203.14294	10.4
203.17931	8.3
205.15788	4.0
205.19516	2.8
207.13652	6.5
207.17325	1.8
209.13237	3.7
209.15201	2.7
211.14810	5.3
212.15608	1.4
213.12712	2.4
213.16318	7.5
214.17157	1.4
215.14282	2.6
215.17964	9.7
216.15077	1.7
217.15916	1.4
217.19545	2.1
219.11894	1.4
219.13820	5.3
219.17317	2.2
220.12364	1.5
221.15340	58.8
222.15657	2.1
223.14789	2.8
225.16400	2.6
227.14275	2.0
227.17920	3.1
229.15892	5.3
229.19472	2.5
231.13867	1.8
233.15311	2.6
233.18840	1.7
234.13911	2.1
234.16101	16.3
235.32172	1.3
237.16515	1.5
239.17981	3.1
241.19455	4.0
243.21132	3.9
253.15727	2.9
255.21043	5.8
267.17453	2.7
267.21030	1.4
269.22592	2.2
281.19113	1.4
281.22592	1.4
285.22156	1.7
286.19211	2.9
287.20071	5.1
295.23914	1.9
299.20206	1.6
300.20779	2.8
329.20963	6.4
391.26135	7.6
391.33636	6.1
409.19769	1.3
409.20889	1.8
409.27066	42.3
409.34561	55.1
410.27347	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03928	5.7
55.01872	2.4
55.05505	20.2
57.07066	8.2
59.04980	2.3
65.03928	4.1
67.05495	28.3
69.03408	5.8
69.07057	19.0
69.65757	14.7
71.04971	4.5
75.33730	1.5
79.05488	26.0
80.95965	2.1
81.03424	2.2
81.06601	3.2
81.07047	55.1
83.04948	3.7
83.08604	10.7
85.06527	2.7
91.05466	37.3
93.07031	63.4
94.07341	1.6
95.04388	2.7
95.04958	43.9
95.08588	60.2
97.06497	10.9
97.10172	3.9
103.05499	2.2
105.07016	100.0
106.07317	2.9
107.04918	2.4
107.08578	61.9
107.09313	3.0
108.08867	2.3
109.06477	14.3
109.10141	30.8
111.08043	4.1
115.05459	3.0
117.07018	17.7
117.55709	1.6
119.08564	95.9
121.06470	15.2
121.10126	51.1
123.08025	14.8
123.11705	13.1
125.09632	2.4
128.06194	4.8
129.07014	8.0
130.07761	4.9
131.08545	31.6
133.06468	4.0
133.10107	53.3
134.10503	1.8
135.08063	11.9
135.11676	26.2
137.09639	7.9
137.13217	4.8
139.11179	2.4
141.07004	3.3
142.07730	12.5
143.08543	20.4
144.09305	6.1
145.06429	2.5
145.10101	50.7
147.07996	11.1
147.11662	48.3
147.12843	2.5
149.09592	7.9
149.13216	17.4
151.07521	13.4
151.11185	2.4
155.08556	8.7
156.09276	6.5
157.10133	28.4
158.10825	2.9
159.08012	5.9
159.11676	24.7
160.12022	1.9
161.09622	10.1
161.13232	19.4
163.11150	6.3
163.14793	13.8
165.06996	2.2
165.09116	22.8
167.08522	2.7
168.09341	4.0
169.10173	10.3
170.10832	3.3
171.07962	2.1
171.11668	16.7
172.12402	2.0
173.09599	5.3
173.13234	26.3
175.11168	25.2
175.14801	52.7
175.64047	1.8
176.15186	2.4
177.09085	2.8
177.16360	29.1
179.08502	2.4
181.10112	7.1
181.12151	3.9
182.10925	4.0
183.11652	10.1
184.12282	2.2
185.13222	9.4
187.11217	4.8
187.14789	31.0
188.15215	3.8
189.12700	5.6
189.16368	19.8
191.14233	3.6
191.17911	4.0
193.15811	4.0
193.88007	1.9
195.11662	4.4
196.12433	2.7
197.13242	4.8
199.14803	8.1
201.12711	5.7
201.16351	21.5
203.14313	8.5
203.17941	18.8
205.10052	1.9
205.15872	4.1
207.11861	2.7
207.13805	7.0
209.13210	4.5
211.14790	6.1
213.12646	3.2
213.16351	7.0
215.14252	2.0
215.18002	8.4
217.19583	3.1
219.13846	3.3
219.17485	2.3
221.15315	60.9
223.14725	4.3
225.16373	3.8
227.14230	2.0
227.17900	4.1
229.15855	4.7
229.19479	2.0
230.16122	1.8
233.15382	2.7
234.16098	7.2
237.16367	2.0
239.17770	2.6
241.19426	4.2
243.20889	2.3
253.15831	2.9
253.19531	3.3
255.21040	4.8
265.19476	2.3
269.22626	2.2
271.16934	2.2
275.17651	2.5
286.19183	2.4
287.19971	5.2
300.20648	4.1
311.27243	2.4
329.21097	3.7
351.30679	2.3
363.30679	2.8
391.26236	6.3
391.33502	9.8
393.09958	2.8
408.11853	3.9
409.13113	21.1
409.26541	30.1
409.35181	46.8
410.13409	12.2
427.14349	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62991	0.8
55.01851	1.5
55.05488	2.9
55.14437	1.0
56.05014	0.9
60.04504	1.0
64.65084	0.8
69.03391	2.7
69.07031	0.9
70.06590	12.6
71.04974	1.6
71.78747	1.6
72.04500	1.5
72.08147	13.9
79.05482	0.9
81.03384	2.1
81.07034	1.7
82.06541	0.9
83.04941	1.3
84.04461	1.9
84.08113	4.0
85.02868	4.1
86.06049	1.9
86.09693	1.4
87.04443	1.0
88.03954	1.7
91.05447	1.8
93.07022	1.0
95.04915	2.8
95.08572	1.0
96.04475	1.9
97.02867	1.5
97.06441	1.1
98.06009	3.1
103.05382	1.3
105.07030	1.2
107.04922	4.3
109.02837	2.3
110.02410	0.9
110.06004	2.5
112.07569	2.7
114.05470	1.5
114.09122	2.3
114.10283	6.6
115.08628	1.4
116.07076	1.5
117.06960	0.9
119.04923	4.8
120.05206	1.1
120.07284	1.4
120.08083	17.8
120.08884	2.0
120.32453	1.0
121.06483	2.3
123.04411	2.3
127.03917	1.3
129.10225	0.8
130.08629	17.1
131.04886	2.4
131.08983	7.2
133.06477	5.6
135.04393	1.2
136.03853	1.3
136.07555	1.5
137.02219	1.0
137.05881	2.3
138.05367	1.0
139.03760	1.0
140.07013	1.4
141.06561	1.7
145.06506	4.3
146.05994	5.2
146.08119	2.2
147.04381	21.9
148.04672	5.3
148.07539	2.1
151.03873	1.9
157.06410	2.6
159.04372	1.6
159.07697	1.8
160.07472	2.6
161.05893	2.2
162.09146	1.3
163.03914	3.5
166.07285	2.2
166.08582	3.3
167.06992	1.8
171.04372	1.3
172.04654	1.2
172.07515	3.4
173.05977	1.1
174.09056	1.5
175.07503	1.3
176.07007	3.0
177.05463	2.7
177.10190	1.0
188.07024	10.8
189.05397	2.4
189.07788	1.0
190.08601	22.2
191.06979	1.3
197.12854	1.0
200.07022	14.7
201.05565	1.3
206.08012	2.2
213.05449	1.2
213.12352	1.0
215.07040	1.1
218.08086	6.6
219.14848	2.2
220.13670	1.0
223.10664	2.2
227.11789	6.7
229.13339	2.6
230.11751	7.2
234.07622	2.1
235.07883	1.6
241.13316	14.1
242.11676	11.2
242.13815	1.3
243.06334	1.1
245.12813	2.8
247.14432	1.3
255.97997	1.0
259.14432	11.3
260.12744	37.3
261.13116	1.9
272.13821	3.6
277.15433	1.1
284.13870	7.5
287.05484	1.8
289.16400	3.0
290.14029	1.6
301.16446	4.0
302.14969	11.5
307.04410	1.0
319.17587	96.1
320.17831	3.1
326.15015	1.0
350.16052	2.8
373.18628	2.9
391.19650	1.9
392.18008	1.0
409.20657	100.0
410.14157	3.1
410.21014	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
53.87858	2.7
55.01865	7.9
55.05490	4.9
56.05014	5.4
56.96552	13.2
57.03422	11.3
63.10282	2.8
68.05008	11.6
69.03418	64.5
70.06575	15.7
71.04996	5.3
72.04498	7.5
72.08129	8.4
73.02894	4.5
80.04993	2.9
81.03400	29.6
83.04964	7.8
83.06107	3.2
84.03989	6.5
84.04489	98.7
84.08131	9.3
84.96022	3.6
85.02892	40.4
86.06062	76.3
86.09690	4.0
87.04483	6.5
91.05477	4.4
94.06555	4.0
95.04942	3.6
95.06101	16.9
96.04476	49.4
96.05051	4.2
96.08139	4.4
97.02873	26.7
97.06485	3.0
98.06046	23.5
98.97565	22.5
99.04426	8.9
102.05494	4.3
103.91449	2.6
104.07087	64.8
107.04937	5.4
108.04456	11.4
109.02857	25.1
110.06030	9.8
110.07138	5.9
110.97532	3.7
111.04462	4.5
112.07594	2.9
114.05494	6.9
114.09158	38.2
114.09960	3.6
114.10310	4.5
115.09495	20.3
116.07033	3.6
116.98592	15.9
117.05565	3.3
119.04913	6.7
120.08096	10.6
121.06484	3.6
122.06003	6.1
124.07589	4.7
126.05520	16.9
127.03910	27.0
128.07085	19.8
128.98570	3.7
130.04988	40.4
130.06540	4.3
130.08646	6.3
131.04950	3.1
134.99651	6.7
136.07584	5.0
137.05946	7.2
138.05466	14.8
140.07022	23.0
141.06551	25.9
142.04977	49.3
145.04915	28.4
146.08093	33.4
146.99637	5.8
147.04410	9.6
148.07561	11.1
151.08691	7.3
152.07022	37.3
158.99699	5.0
159.06488	6.2
161.01178	3.6
161.02679	2.6
161.05971	3.9
163.03896	11.4
164.07042	6.0
166.04955	3.6
166.08607	7.0
167.07004	6.2
169.09694	10.5
170.08125	50.6
172.06058	6.0
173.01265	3.2
176.07060	28.8
177.00734	9.6
183.06467	3.8
188.07004	3.8
189.00732	3.2
190.08607	4.1
192.06555	11.3
192.15005	4.8
194.08118	16.9
197.09204	19.1
198.07597	26.9
205.09683	6.9
206.10222	8.4
212.09113	41.7
213.07605	8.2
214.07121	11.3
215.07176	3.4
215.10193	28.1
216.08716	12.7
219.01790	9.2
220.06020	5.4
227.06596	4.9
229.11757	3.6
230.10104	13.1
231.08609	5.9
233.11324	7.8
236.14012	3.2
237.02757	14.9
238.07059	19.5
240.08659	3.4
242.11667	5.1
248.11278	26.0
251.10292	4.6
257.11353	7.1
258.05670	6.1
258.09802	8.0
260.12708	3.8
261.12296	4.5
263.05988	4.1
275.12335	44.0
279.13416	3.7
280.13928	21.9
295.12851	9.6
297.14468	4.9
305.11215	4.0
309.08542	10.3
318.12149	3.7
319.17581	11.5
323.12430	7.2
341.13412	86.3
342.11752	4.9
359.14447	49.9
360.12982	3.7
377.15512	100.0
378.15778	4.9
392.15305	7.7
409.09317	6.0
409.17328	82.8
409.22507	19.9
410.21909	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	409.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
53.48927	0.7
55.05508	0.7
55.11036	0.5
55.95008	0.5
56.05003	0.6
56.96296	1.2
56.96558	13.1
57.03423	1.1
61.02926	1.3
66.85271	0.5
69.03429	3.0
69.82168	2.1
69.82591	1.9
70.02964	0.5
70.06577	2.0
71.04968	0.9
71.95272	0.7
72.08142	1.7
73.02908	1.2
73.06528	0.9
81.03417	1.4
84.04509	0.8
84.08128	1.6
84.70748	0.6
84.96034	2.3
85.02895	6.2
86.06070	1.2
86.09715	0.7
91.05477	1.2
91.83491	0.5
95.06064	0.9
97.02868	3.9
98.97571	81.3
99.97890	0.7
101.00853	0.7
102.05560	0.6
102.96984	0.5
104.07050	0.8
105.07026	0.7
107.04970	0.9
109.02871	1.0
110.97564	5.7
112.07510	0.6
112.99108	1.3
114.09184	2.8
114.10243	1.3
116.98609	54.2
117.98968	0.7
119.01907	3.2
119.04934	2.8
120.08101	1.5
123.04438	0.7
127.00704	0.6
127.03911	1.9
128.98593	9.9
129.10280	0.6
130.08597	2.4
131.00174	2.2
131.01897	1.6
131.05527	0.9
134.99641	19.0
136.07631	0.6
137.02896	0.8
137.05977	4.6
138.06303	0.6
140.00189	2.2
140.07088	0.9
140.98598	1.0
143.00101	1.7
143.01883	5.9
144.98111	1.3
145.01694	2.0
145.04926	0.6
146.99628	7.1
147.03258	2.8
147.04405	4.5
148.04773	0.9
149.01228	1.5
149.06667	1.2
152.98575	1.6
153.00716	1.6
155.01910	1.1
155.04614	3.7
157.03380	0.7
158.01273	0.7
158.99632	34.1
159.99907	0.6
160.09697	1.3
161.01236	2.9
161.02942	7.8
161.05875	0.8
162.99118	2.1
163.02698	2.7
164.05161	1.1
165.00674	1.6
165.04355	2.8
167.07065	1.5
170.08107	0.6
170.99651	3.9
171.03302	2.5
172.97530	0.6
173.01349	0.9
173.02940	2.0
173.06592	1.8
175.02769	1.0
177.00694	43.7
179.02188	0.7
179.06996	1.6
185.02960	0.6
185.06575	2.8
186.04317	1.1
187.02740	0.6
187.04623	0.6
187.07713	0.6
189.00737	3.5
189.04311	13.1
190.98660	0.7
191.02295	1.0
191.07536	0.6
193.03799	0.7
195.01707	3.0
200.02298	2.4
201.00763	1.5
201.04242	1.0
203.05769	0.7
203.07614	1.3
205.00308	0.9
205.03706	0.8
207.01768	0.6
207.05353	2.6
209.06532	0.8
212.05830	0.6
215.07239	1.6
219.01706	12.7
219.05222	1.0
221.03148	0.6
221.05118	1.6
223.04660	0.6
227.06633	1.4
228.05251	0.7
231.05327	2.2
237.02794	23.0
238.03143	0.8
243.06306	0.5
247.01067	0.7
247.04774	1.0
249.06598	1.3
255.03905	1.0
256.06113	0.7
260.04404	0.8
265.06210	1.2
271.04932	0.6
272.10165	4.3
272.60361	0.8
275.09766	3.0
277.05817	0.6
283.08493	2.9
291.07449	30.7
292.07944	0.7
293.10779	8.3
309.08527	100.0
310.08853	3.4
311.08759	0.6
319.17554	2.1
332.10080	5.0
334.07352	0.7
349.08035	3.1
351.09326	0.7
365.12643	0.6
367.08792	1.9
391.08939	2.9
391.19614	0.7
409.10309	14.7
409.20764	9.3
415.08966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.9
57.03418	1.7
57.07050	1.6
57.70993	0.8
59.04985	1.0
60.77132	0.7
61.02884	0.8
64.55241	0.8
67.05495	3.6
69.03418	1.8
69.07057	11.0
69.59908	4.0
69.60332	2.7
71.04983	5.1
71.77480	0.8
72.08134	1.1
72.58496	0.7
79.05460	3.3
81.03405	1.2
81.07037	9.4
81.74832	0.7
83.04973	0.9
83.08608	5.6
84.84170	0.7
85.02898	5.1
85.06521	3.3
91.05460	3.2
93.07030	8.3
95.04950	1.2
95.08590	16.0
97.02861	2.8
97.06512	13.5
98.06839	1.6
98.20689	1.2
99.04430	3.3
99.08080	1.3
99.25034	0.8
105.07010	4.8
107.08578	11.9
109.02868	0.8
109.06520	7.0
109.10139	21.5
110.10477	1.2
111.08046	1.9
111.11703	1.5
113.09649	1.0
115.07551	6.9
119.08570	13.4
121.10131	7.7
123.08054	5.1
123.11680	13.0
125.09596	1.3
127.03947	1.2
127.11172	2.5
133.10106	26.4
135.11668	24.3
136.11969	1.0
137.09605	5.4
137.13202	0.8
141.09119	1.0
141.12703	1.4
145.04913	1.1
145.10069	0.9
147.11678	3.7
149.13231	10.9
151.14775	1.2
153.12723	3.1
155.10655	1.8
163.03909	2.7
164.04224	1.3
173.02269	1.5
174.02586	0.9
175.14792	40.6
176.15102	1.8
177.16377	2.7
193.15858	46.2
194.16185	2.0
209.15361	1.3
211.16896	100.0
212.17247	4.3
215.06917	1.9
216.07326	2.6
229.14305	1.8
259.09546	0.9
260.09912	3.0
270.92661	0.8
278.10916	1.0
300.15939	1.0
346.16455	1.9
388.45731	0.8
390.22025	1.2
408.23224	14.0
409.18216	0.9
429.72919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17086	0.4
55.05494	1.3
55.23042	0.4
57.03438	0.5
60.05616	0.8
60.09546	0.5
67.05489	1.2
69.03444	1.0
69.07052	4.7
70.12527	2.5
71.04605	1.0
71.04980	14.3
72.08134	1.5
79.05463	1.2
81.03378	1.2
81.07042	3.1
83.08609	0.8
85.02898	3.0
85.06535	2.2
85.99613	0.4
91.05450	1.4
93.07021	2.9
95.04965	0.5
95.08592	6.1
97.02872	0.8
97.06520	5.9
98.06835	1.7
98.21345	0.7
99.04438	42.3
99.08071	0.5
100.04775	0.6
105.07031	1.1
107.08578	5.2
109.06510	0.5
109.10140	4.2
111.08028	0.5
111.11678	0.7
113.09632	4.8
114.10241	1.3
115.07558	2.4
119.08533	3.7
121.10112	2.1
123.08038	1.4
123.11695	3.2
125.09612	1.6
129.12683	0.4
131.08546	0.5
131.12926	0.5
133.10107	4.1
135.11673	14.6
136.11952	0.4
137.09616	0.7
139.11188	1.2
141.09085	0.7
141.12743	2.7
147.11667	0.7
149.13249	0.7
151.14839	3.2
153.12727	1.6
159.04428	0.4
161.02312	0.4
162.02560	0.7
163.03876	2.5
164.04210	1.8
165.16365	0.8
169.15866	0.8
173.02350	1.5
174.02644	1.3
175.14816	6.0
176.15071	0.5
193.15851	7.8
204.10155	0.6
211.16896	100.0
212.17227	3.8
215.06990	2.0
216.07343	2.8
249.94420	0.4
259.09607	1.6
260.09949	3.4
277.10889	0.5
278.11029	0.8
300.15894	1.2
346.16324	1.5
390.22070	1.6
408.23163	14.1
409.15939	0.7
409.23541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95260	1.5
55.05501	5.3
57.03419	2.8
63.59171	1.4
67.05490	4.1
69.03401	1.5
69.07057	11.8
70.07248	9.2
71.04971	6.5
72.08130	3.2
72.62065	1.3
76.34547	1.3
79.05474	4.3
80.75394	1.2
81.03389	2.1
81.07047	9.6
83.04935	1.4
83.08605	8.3
85.02878	5.8
85.06532	2.4
91.05468	1.7
93.07037	10.8
95.04958	1.7
95.08601	18.3
97.02876	2.1
97.06521	24.4
98.06809	1.9
99.04434	6.2
105.07014	6.2
107.08567	13.8
107.23098	1.5
109.02863	1.6
109.06483	8.0
109.10134	20.1
111.08046	3.5
114.10297	3.3
114.12773	1.9
115.07547	8.6
119.08574	18.5
121.10146	8.0
123.08033	6.3
123.11681	10.0
125.09569	2.3
127.03908	1.6
127.11169	2.2
131.08499	1.4
133.10110	28.0
135.11676	28.6
136.12012	2.3
137.09584	5.2
141.12738	1.6
147.11621	2.3
149.13264	12.9
153.12755	4.0
161.02359	1.7
163.03912	4.9
164.04243	3.8
173.02351	3.5
174.02599	2.2
175.14813	49.9
176.15115	2.0
177.16351	4.4
193.15865	60.2
194.16193	4.6
211.16908	100.0
212.17274	4.8
215.06984	4.5
216.07419	5.8
229.18028	1.8
231.57198	1.4
259.09665	3.5
260.09909	5.2
352.68637	1.5
390.22073	4.2
408.23135	29.7
409.18259	8.2
409.23157	2.6
416.47418	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63075	0.3
53.03950	0.3
55.01855	0.7
55.05490	1.2
57.03416	0.7
57.07072	0.4
59.04981	0.7
60.90049	0.3
67.05489	2.2
69.03423	0.7
69.07061	3.4
70.06587	0.5
70.10146	1.9
71.04978	2.9
72.08125	0.6
79.05479	1.3
81.03367	0.4
81.07047	3.0
83.04976	0.7
83.08605	0.6
85.02869	1.4
85.06535	8.0
86.09696	0.4
88.59292	0.4
89.20238	0.3
91.05468	0.8
93.07034	5.7
95.08596	5.4
97.02861	0.6
97.06504	2.1
99.08087	4.6
105.06999	1.3
107.07899	0.6
107.08586	8.8
109.06491	0.5
109.10140	13.9
110.10519	0.6
111.08032	0.9
113.06000	1.5
114.10263	0.4
114.12834	0.4
119.08568	5.0
121.10141	2.2
123.08062	0.5
123.11699	3.1
127.11146	1.5
130.08624	0.8
131.70499	0.4
133.10112	3.4
135.11674	21.6
136.11995	1.1
137.09651	1.1
139.11101	0.6
147.11641	1.2
149.13242	6.1
151.11168	0.5
151.14769	1.4
153.12726	13.9
154.13039	0.8
159.11725	0.4
163.03856	0.6
164.04239	0.7
167.10574	0.7
167.14262	1.3
173.02373	0.5
174.02592	0.6
175.14790	8.2
176.15240	0.5
193.12215	0.5
193.15889	2.3
211.16905	100.0
212.17285	4.9
215.07008	0.7
216.07314	1.2
229.11977	0.7
229.14326	0.5
231.57091	0.4
247.12915	0.5
259.09689	0.5
260.10086	1.7
260.34174	0.4
265.12604	0.3
275.80292	0.4
330.60953	0.4
346.16501	1.0
390.22260	0.6
408.23288	5.7
409.18347	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	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05396	1.3
53.03936	2.0
55.05505	11.2
55.33902	1.5
57.03426	1.3
57.07061	2.2
58.47926	1.3
59.74567	1.7
67.05497	10.3
69.03421	2.8
69.07056	29.0
70.17149	1.3
71.04987	4.4
71.70673	3.0
78.01827	2.0
79.05499	4.8
81.07048	13.5
83.04953	8.7
83.08603	3.9
84.04501	3.2
84.84303	1.4
85.02880	3.4
88.03960	3.9
88.98656	1.7
91.05469	5.8
93.07037	8.0
95.04996	3.7
95.08590	45.3
97.06536	4.1
97.10157	3.8
99.04433	3.6
99.08080	1.6
105.07005	9.3
107.08588	16.8
109.06509	2.0
109.10134	27.7
111.08052	3.0
115.05412	1.6
115.49644	1.3
116.01704	2.1
118.01183	1.6
118.96243	1.6
119.04929	10.4
119.08573	33.2
121.10125	9.9
123.08035	7.1
123.11701	5.6
125.09627	20.6
132.45847	1.5
133.10106	39.6
135.11670	20.0
137.09598	30.1
145.04936	1.5
145.93483	1.3
147.04390	54.7
147.11699	4.0
148.04720	2.6
149.13261	3.6
151.11230	1.5
151.14807	5.0
155.10609	1.7
162.02202	2.5
165.16371	1.7
171.04413	6.8
175.14804	100.0
176.15157	5.9
193.15860	96.8
194.16199	3.8
198.09729	1.9
211.16879	14.1
234.07613	19.7
238.84711	1.4
259.10965	1.6
260.11258	2.0
261.10614	9.0
262.11087	2.1
280.02625	1.5
390.11954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.9
55.05499	11.2
57.03405	4.5
57.07059	2.6
65.00007	2.1
67.05495	17.2
69.03400	6.5
69.07043	8.8
70.02898	2.5
70.06579	17.4
71.04968	4.5
71.78919	2.5
72.08134	4.6
76.02222	2.6
79.05468	9.0
81.03397	4.1
81.07050	20.8
83.04971	12.8
83.08607	3.1
84.04498	4.9
84.08131	3.9
85.02888	18.0
85.06556	2.6
86.09703	18.6
87.43397	2.0
91.05476	11.9
93.07041	13.0
95.04953	6.2
95.08600	52.3
96.08079	2.9
97.02882	4.8
97.06539	2.5
98.97575	6.7
99.04444	2.6
99.08074	6.6
105.07041	16.6
105.84772	2.7
107.04929	2.3
107.08571	21.0
107.33961	2.3
109.06498	4.2
109.10122	17.6
109.26776	2.1
111.08059	3.9
114.09196	4.3
118.01247	3.7
119.08584	29.2
120.08102	3.7
121.10123	8.4
123.04498	2.3
123.08076	4.6
123.11700	9.0
124.03925	3.1
125.09594	6.3
127.03918	3.5
133.10115	39.3
135.11693	17.8
137.09604	100.0
138.09941	3.5
139.11131	2.9
147.04346	3.7
147.11685	3.7
149.13193	3.1
158.99548	2.7
159.06380	3.0
161.05887	3.6
167.07048	3.6
175.13380	4.4
175.14816	62.2
176.15193	2.8
177.00627	3.1
193.15871	95.4
194.16170	3.2
211.13373	4.3
211.16823	5.1
213.07826	6.1
216.07460	2.6
222.08281	5.6
229.15414	2.9
243.07570	2.7
257.09146	2.9
260.11499	3.0
261.10776	10.1
285.08713	5.5
313.08139	6.6
315.09570	3.7
331.09250	10.3
349.10141	11.0
377.09515	4.3
390.22275	2.8
391.11127	5.5
408.16400	4.6
408.23178	16.3
408.28409	3.8
409.11746	13.3
409.18216	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	408.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05501	5.1
57.03408	2.3
58.99559	1.6
61.02913	2.9
67.05490	10.3
69.03409	4.7
69.07056	11.0
70.06586	7.5
71.04971	4.3
71.08064	3.0
71.63274	1.1
72.08115	1.2
73.02894	1.4
79.05476	11.4
81.03416	5.1
81.07045	41.0
82.06547	1.4
83.04969	3.6
83.08601	5.1
85.02892	14.8
85.06529	3.5
91.05474	9.6
93.07011	7.0
95.04967	1.9
95.08590	9.7
97.02867	4.1
97.06499	4.6
99.04447	2.5
99.08056	1.7
105.07018	19.5
107.08569	9.2
109.02866	3.9
109.06508	4.3
109.10114	2.4
113.05984	1.8
114.09132	2.7
115.35316	1.1
116.90540	1.0
119.08553	18.4
120.08065	1.5
121.06503	2.3
121.10134	13.5
122.09634	1.7
123.08064	3.0
123.11687	22.9
127.03871	4.9
127.07545	2.2
129.06999	1.2
131.08527	1.6
133.10117	3.0
135.11655	4.9
135.95398	1.1
137.09521	1.2
145.04948	2.9
147.11668	57.2
148.11995	1.3
150.12755	36.3
157.31969	1.0
160.09662	1.3
165.12732	39.0
175.11172	2.0
175.14774	5.8
180.08676	3.2
183.13785	13.3
193.12225	4.8
193.15892	4.7
211.13211	8.8
211.16910	4.3
216.07329	1.5
219.89220	1.1
229.14308	100.0
230.14665	3.7
247.13274	2.1
337.16458	3.1
346.16385	2.8
355.17264	2.4
362.22812	2.1
390.22702	3.0
408.23077	59.3
409.16425	2.3
409.23300	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	408.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.8
56.64220	1.0
57.03421	1.6
57.07054	1.9
67.05502	11.5
69.03419	2.1
69.07060	37.7
69.54196	11.1
71.04984	4.8
78.01790	1.3
79.05480	4.2
81.07050	14.8
83.04964	9.5
83.08585	4.9
84.04483	2.9
85.02895	5.6
85.06525	2.7
91.05462	5.2
93.07031	9.8
95.04916	1.3
95.08596	46.3
96.08891	1.1
97.06505	2.9
97.10168	4.8
98.09689	1.5
99.04431	4.8
99.08101	2.1
105.07013	9.6
107.08584	20.3
109.02859	1.1
109.06482	3.2
109.10143	32.0
111.08054	3.6
117.06985	1.1
118.01274	1.6
119.04939	2.5
119.08570	33.9
121.10130	11.3
123.08047	8.3
123.11680	5.5
125.09624	20.7
130.05009	1.1
133.10120	41.6
134.10466	2.1
135.11670	18.4
137.09607	33.9
137.13120	0.9
139.11153	1.3
145.10060	1.6
147.04390	12.8
147.11671	5.4
149.13252	4.8
151.14853	5.1
155.10652	2.7
156.10252	1.2
160.12498	1.5
164.01704	1.3
165.16362	2.9
171.04387	2.1
175.14809	100.0
176.15140	4.5
193.15865	95.1
194.16209	4.7
197.11647	1.2
198.09755	1.1
211.16891	12.0
232.22614	1.1
234.07542	4.1
257.90442	0.9
259.11230	2.1
261.10571	6.6
355.20911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01872	0.3
55.05267	0.3
55.05502	3.5
55.89137	0.2
57.03423	0.4
58.02931	0.2
58.06579	0.3
67.79311	0.2
69.03412	1.4
70.06570	0.5
70.13931	1.4
70.14256	0.2
71.04996	1.2
72.53577	0.2
81.03383	0.9
83.04946	1.0
84.08145	2.3
85.02889	2.2
86.06065	0.3
86.09686	0.2
87.04442	0.2
89.06014	3.8
97.02878	1.6
97.33897	0.2
98.06039	0.5
99.04432	0.7
103.03920	0.2
104.44273	0.2
109.02836	0.8
110.06041	0.5
112.07588	5.7
113.41503	0.2
119.04933	0.7
120.08089	0.6
121.88829	0.2
127.03858	1.1
128.07077	0.2
130.08617	100.0
131.08981	1.6
136.03941	0.2
137.05968	0.5
145.04930	0.6
146.08107	2.6
147.04379	3.3
149.05957	0.3
163.03920	0.3
167.07057	0.9
171.04332	0.3
188.07091	0.4
190.08594	0.4
211.09724	0.4
230.11694	0.3
234.07600	1.3
241.13426	0.4
242.11656	0.3
260.12881	0.5
261.09534	0.3
292.13849	8.9
293.14276	0.3
301.16721	0.3
301.82053	0.2
308.13525	0.3
319.17633	1.5
390.17438	0.4
408.18616	8.9
408.23468	1.3
409.20773	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03938	2.3
55.01857	0.9
55.05496	0.6
57.03429	1.7
62.22026	0.4
65.03932	0.9
67.05482	0.9
69.03416	7.9
69.07056	1.1
69.47159	2.9
69.47587	1.2
70.06571	1.5
71.04977	1.0
72.08134	1.6
73.02887	1.1
78.03439	12.2
79.05456	0.5
80.04988	2.5
81.03403	14.3
81.07033	1.3
82.17899	0.4
83.04964	0.9
83.08597	0.4
84.04473	0.5
84.08109	0.7
85.02892	8.5
85.06542	0.4
86.09698	2.6
87.04473	0.5
91.05471	1.1
93.07018	0.9
95.04958	1.0
95.08552	0.8
96.04485	5.4
97.02885	5.0
97.06506	0.7
99.04435	3.0
99.77804	0.4
103.03959	0.5
105.07038	0.6
106.02898	55.1
107.03230	1.4
107.04960	0.6
107.08563	0.7
109.02862	34.3
109.06509	0.6
109.10109	1.2
110.03185	0.7
111.04424	1.6
114.09132	1.2
114.10249	1.2
118.01193	0.4
119.04914	0.4
119.08549	0.8
120.08047	0.6
121.02878	2.0
121.10117	0.7
122.03171	0.7
123.04405	0.4
123.08115	0.5
124.03933	100.0
125.04259	2.3
125.09624	1.0
127.03902	7.3
127.07552	0.7
129.10216	0.5
130.06433	0.4
131.04871	0.5
131.08559	0.6
131.12872	0.5
133.10114	1.1
135.08067	0.4
137.05904	0.9
138.03081	0.4
138.66486	0.4
139.03870	1.7
141.05449	11.3
145.02765	0.4
145.05019	0.4
147.04384	1.8
147.11646	0.5
149.05853	0.4
154.04845	0.4
154.06018	0.5
161.05917	0.8
163.03941	0.5
166.04971	1.5
167.06917	0.4
175.14763	0.7
181.04865	0.5
185.07063	0.6
187.07542	0.7
193.12213	1.3
193.15878	1.4
194.16754	0.4
196.05972	0.9
204.68013	0.4
206.04272	0.4
208.06004	0.7
211.13322	2.1
211.16899	0.6
213.09138	0.4
215.07019	0.8
216.07382	1.7
226.07079	1.3
229.14316	0.7
232.06035	1.5
250.07072	30.7
251.07408	1.1
259.09579	0.5
260.10040	0.9
268.08124	36.0
269.08389	1.6
285.08682	0.4
303.09821	0.4
331.09027	1.0
359.08569	0.9
377.09778	1.2
390.22046	1.4
408.12732	14.5
408.23114	11.2
409.12366	1.6
409.18140	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	408.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95237	0.4
55.58232	0.4
57.13016	0.5
61.85257	0.4
71.78600	0.6
87.68427	0.4
96.32059	0.4
97.59981	0.4
98.97565	1.0
101.00877	0.7
114.05660	0.4
116.98576	1.4
118.92389	0.4
119.01891	5.6
134.52831	0.4
134.99689	0.8
137.02951	2.2
149.86746	0.4
158.99728	0.5
174.98518	0.5
177.00925	13.5
178.00975	1.1
193.04079	0.6
197.00537	0.6
201.00920	0.9
215.01637	1.2
217.04071	3.2
219.01982	24.1
220.02063	2.0
223.63416	0.5
225.00847	2.7
232.98245	0.9
234.99870	0.7
238.77626	0.4
242.03629	0.6
243.01953	7.1
244.02032	0.7
250.94763	0.5
259.00040	0.6
259.99936	0.7
261.03040	100.0
262.03177	11.8
263.03265	1.0
264.98779	0.5
277.00790	1.7
278.01248	0.9
279.00781	0.5
282.99982	1.2
284.00183	0.8
284.04626	4.4
284.99921	0.5
285.04855	0.5
301.01053	2.4
302.01141	1.6
303.00903	0.8
315.02063	0.6
343.02127	0.6
361.28119	0.8
367.02045	2.8
385.03107	17.2
386.03278	3.6
403.04199	22.5
404.04340	3.1
408.04684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03934	0.8
55.05265	0.7
55.05503	8.2
57.03432	5.2
57.07066	11.3
61.87457	0.5
65.03922	0.6
67.05135	0.6
67.05496	14.9
69.07058	17.3
71.08617	7.8
77.85931	0.4
79.05487	6.4
81.03404	0.5
81.07044	34.8
82.12595	0.5
83.08609	10.1
85.10178	2.6
89.06004	0.7
91.05460	6.1
93.07030	15.9
95.04931	1.0
95.08593	65.3
96.08932	1.4
97.10152	5.5
105.07020	14.6
106.15289	0.5
107.08578	26.4
109.06512	0.9
109.10141	28.6
110.10470	0.6
111.11698	3.2
113.00002	93.2
116.40836	0.5
117.07008	2.2
119.08568	21.4
121.02827	0.7
121.10129	24.4
123.11689	16.5
125.13254	1.0
126.35873	0.6
129.06967	1.3
131.00980	0.7
131.08549	7.2
133.08604	0.8
133.10110	20.2
134.10468	0.8
135.11674	17.1
137.13229	14.1
139.01550	0.5
143.08543	3.0
144.09283	1.0
145.10107	10.4
147.11661	13.2
149.02309	15.0
149.13242	11.9
151.14818	2.2
151.21265	0.5
154.02690	0.7
157.10086	4.5
158.10880	0.5
159.11671	9.2
160.12286	1.1
161.13239	11.5
162.13658	0.8
163.14798	10.2
165.16348	0.7
165.84702	0.5
167.03387	1.4
168.01123	0.6
169.02589	100.0
169.10004	0.8
169.23727	0.6
170.03050	1.5
170.10870	0.7
171.11702	4.7
172.12389	0.7
173.13217	8.5
175.14796	8.2
177.16345	10.5
179.17990	1.1
183.11702	1.0
185.13219	3.4
187.14783	7.7
189.16354	12.2
189.18022	0.9
191.17924	8.9
197.13298	1.9
199.14783	3.8
201.16362	10.3
203.17937	15.6
205.19495	3.5
211.14775	1.0
213.16348	3.4
215.17915	10.3
217.19487	7.8
219.21022	0.8
225.16252	0.7
226.17017	0.6
227.17900	5.7
228.18579	0.9
229.19482	7.9
231.21008	3.7
239.17955	0.8
239.23734	1.2
241.19455	3.9
243.21074	4.4
245.22632	1.3
251.18065	0.6
253.19543	1.1
255.21024	7.1
257.22577	9.4
257.25204	0.6
259.24374	0.9
269.22571	9.3
271.24207	2.7
272.24530	0.5
283.24121	3.4
297.25671	2.5
309.25705	1.9
311.27487	1.3
323.27405	1.8
337.28763	1.6
351.30389	1.1
365.31976	9.3
366.32343	0.8
374.06671	0.6
392.30609	0.6
407.36734	76.0
408.37021	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	407.3665
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05501	7.9
57.07072	6.4
67.05493	15.8
69.06723	2.4
69.07058	24.6
71.08610	1.6
71.79829	2.5
79.05470	8.2
81.07040	40.4
82.67774	1.4
83.08608	8.1
89.06015	3.8
90.47433	1.4
91.05460	8.4
93.07022	22.9
95.04911	1.4
95.08592	58.5
97.10148	6.0
105.07018	17.6
106.07346	2.2
107.08578	34.6
109.10140	37.9
111.11707	6.5
112.99986	2.7
117.06950	1.7
119.08564	26.1
121.10122	27.8
123.11681	22.4
125.13258	2.2
126.06715	1.3
131.08537	9.1
133.10115	23.7
135.11676	16.1
137.13214	14.3
143.08583	2.3
145.10100	16.7
147.11662	19.5
149.13231	25.7
151.14799	2.4
157.10115	6.1
158.10881	1.3
159.11662	23.8
161.13248	16.9
163.14789	9.2
169.02644	2.8
170.10913	2.2
171.11720	6.1
173.13243	14.7
175.14815	9.4
177.16383	8.0
182.12505	1.3
185.13255	5.6
187.14778	8.9
189.16339	13.0
191.17964	6.2
195.12195	4.6
195.83263	1.4
197.13358	1.5
199.14827	5.2
201.16376	9.2
203.17918	19.7
205.19505	3.5
213.16402	5.3
215.17911	8.4
217.19560	5.2
227.17964	2.3
229.19527	4.6
231.21220	1.7
241.19562	3.4
243.21024	11.1
245.22620	2.0
255.21082	8.0
257.22565	6.5
269.22638	12.8
271.24149	14.0
283.24210	5.4
285.25906	2.0
297.25781	4.3
311.27341	11.3
323.27188	3.1
337.28723	2.6
351.30704	1.5
365.32089	2.8
374.23706	1.6
407.36697	100.0
408.37018	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30276	1.6
55.05505	11.0
57.07051	4.0
67.05498	17.9
69.07057	35.1
71.08628	2.2
79.05483	11.2
81.07047	59.6
83.08614	9.1
91.05471	6.8
93.07024	19.7
95.08592	52.5
97.10129	4.6
98.20660	4.0
105.07030	19.6
107.08576	27.9
109.10139	39.5
111.11696	3.5
117.06979	2.9
117.55134	1.7
119.08567	22.7
121.10129	26.3
123.11703	19.7
124.10297	1.7
131.08575	9.0
133.10089	16.3
135.11678	16.7
137.13231	8.0
139.39549	1.7
143.08534	4.7
145.10109	13.2
147.11673	16.0
149.13226	14.6
151.14830	2.7
152.27277	1.6
155.08517	2.2
157.10109	6.9
159.11708	15.7
161.13257	12.7
163.14778	7.9
169.10069	2.2
171.11635	5.3
171.51361	1.7
173.13200	14.9
175.14790	10.5
177.16356	6.8
185.13225	4.0
187.14775	9.4
189.16312	6.7
191.17926	5.7
199.14806	3.1
201.16357	7.5
203.17950	6.0
213.16376	5.9
215.17920	8.9
217.19514	5.9
225.16270	2.0
227.17888	6.0
229.19492	11.9
231.21046	2.6
239.17979	2.7
241.19456	3.8
243.21118	5.8
255.20998	3.3
257.22617	5.6
269.22598	5.3
271.24213	2.7
278.01114	1.9
283.24173	7.3
297.25885	3.1
303.33621	1.9
311.27023	1.9
325.29001	5.5
337.28696	2.5
351.30243	4.1
365.32022	1.9
407.36652	100.0
408.37097	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	407.3666
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03939	2.5
55.05493	15.6
57.07057	7.1
67.05490	18.7
69.07057	43.4
71.08618	2.6
71.57777	3.4
79.05472	15.5
81.07043	75.2
83.08597	15.1
91.05463	8.4
93.07022	31.1
95.08591	63.4
97.10154	9.7
105.07009	22.8
107.08576	35.9
109.10143	50.9
111.11690	2.9
117.06979	4.3
119.08555	29.3
121.10133	35.6
123.11688	24.6
129.06964	2.5
131.08519	11.7
133.10117	23.5
135.11659	25.3
137.13222	11.8
143.08530	4.7
145.10109	22.1
147.11664	23.0
149.13216	16.6
151.14824	2.0
157.10107	8.7
159.11674	20.3
161.13255	17.2
163.14813	11.0
165.16267	1.8
169.10147	2.1
171.11673	11.8
173.13216	15.0
175.14804	11.1
177.16344	10.5
183.11609	2.1
185.13232	10.7
187.14781	14.6
189.16353	12.5
191.17888	4.9
197.13344	2.4
199.14825	6.4
201.16374	8.8
203.17963	8.0
211.14801	2.6
213.16359	9.2
215.17870	12.2
217.19444	5.0
225.16339	2.9
227.17923	10.7
229.19514	11.7
231.21082	3.7
241.19527	4.1
243.20915	3.8
255.21045	5.7
257.22565	8.6
257.61343	2.0
267.21100	2.5
269.22650	6.7
271.24289	2.8
281.22571	3.1
283.24179	4.9
297.25751	3.3
323.27087	2.5
325.28824	7.4
337.28934	3.0
351.30386	6.6
407.36655	100.0
408.36945	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	407.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.05498	11.3
57.07053	7.3
64.12622	1.9
67.05498	22.6
69.07057	41.0
70.90346	5.0
71.08629	1.7
74.09639	1.4
77.03913	1.5
79.05488	13.0
79.36884	1.3
81.07043	77.3
83.08613	13.9
89.21227	1.6
91.05447	11.0
93.07028	27.3
95.04922	1.9
95.08594	56.3
97.10164	6.3
100.12969	1.6
105.07021	25.4
107.07893	2.8
107.08581	36.5
109.10145	43.7
111.11700	3.7
117.07027	3.7
119.08550	28.8
121.10131	33.2
123.11684	21.7
129.06929	2.2
131.08560	12.0
133.10121	22.2
135.11679	21.3
137.13210	8.5
143.08528	5.7
144.09265	2.5
145.10123	14.6
147.11664	23.2
149.13245	14.2
151.14769	1.8
157.10129	9.2
158.10762	1.8
159.11694	22.3
161.13240	19.2
163.14801	8.7
169.10120	2.8
171.11638	8.0
173.13249	15.8
175.14786	12.1
177.16357	8.8
183.11580	3.0
185.13251	8.9
187.14775	10.5
187.91667	1.7
189.16391	8.6
191.17949	4.5
199.14804	7.8
201.16354	11.3
203.17981	7.7
205.19543	2.9
211.14828	4.0
213.16365	7.2
215.17906	12.0
217.19453	5.0
227.17903	6.4
229.19446	10.1
241.19449	5.6
243.21059	3.5
255.21027	7.1
257.22610	8.4
259.24103	3.2
269.22583	6.2
271.24136	3.6
281.22623	3.1
283.24200	6.7
297.25748	2.7
311.27252	2.6
323.27325	3.4
325.28864	6.5
337.28751	3.5
351.30374	5.5
365.32019	2.1
375.40222	1.7
407.36664	100.0
408.37030	8.3
421.35330	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	407.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05501	15.6
57.07075	8.5
65.03908	1.4
67.02934	1.0
67.05496	22.6
69.07056	29.4
69.55469	2.7
69.55875	8.8
71.08615	3.3
79.05480	10.5
81.07044	50.8
83.08609	24.1
84.51726	1.0
89.06015	2.9
89.35442	1.1
91.05465	7.7
93.07027	25.7
95.04994	1.2
95.08594	51.4
97.10157	8.0
105.07018	22.7
107.07991	0.9
107.08575	36.7
109.10143	52.9
111.11707	3.6
117.07034	3.7
119.08566	32.6
121.10124	29.5
123.11701	18.3
124.75662	1.2
129.06990	2.2
131.08545	11.4
133.10109	21.1
135.11676	22.0
135.12634	2.0
137.13252	10.2
142.07767	1.4
143.08545	5.6
144.09325	1.3
145.10094	21.3
147.11670	21.7
149.13240	20.1
151.14810	2.8
155.08521	1.2
156.09375	1.5
157.10098	9.4
159.11674	22.1
161.13254	16.9
163.14810	9.5
165.16393	1.8
169.10109	2.1
170.10925	2.1
171.11661	9.4
172.12491	1.5
173.13266	14.4
175.14822	13.4
177.16403	5.8
178.16562	1.4
183.11685	3.3
185.13248	10.1
187.14803	13.2
189.16386	9.7
191.17926	3.5
197.13277	2.6
199.14806	8.7
200.15535	1.4
201.16402	8.9
203.17894	6.9
205.19505	1.3
211.14807	3.5
213.16319	9.1
215.17908	8.7
217.19479	4.7
225.16396	2.4
227.17888	6.7
229.19392	6.1
231.21111	3.4
239.17877	2.6
241.19511	5.8
243.21095	4.1
245.22696	3.0
253.19447	1.8
255.21049	5.4
257.22592	6.0
267.20938	2.0
268.32614	1.3
269.22617	7.4
271.21432	1.4
271.24222	4.8
278.17697	1.1
281.22617	2.0
283.24213	3.6
285.25848	2.6
295.24197	2.1
297.25812	4.2
300.12180	1.1
309.25928	1.6
311.27267	2.6
323.27246	2.7
325.28873	4.6
337.28799	3.5
338.29633	2.1
351.30368	6.0
365.32089	1.9
391.07904	1.2
407.36688	100.0
408.37106	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05500	12.3
55.05757	1.4
57.07058	4.1
67.05489	17.4
67.08384	0.8
67.63052	0.9
69.03423	1.6
69.07059	16.5
70.99045	1.4
70.99377	1.6
71.04961	1.3
71.08625	0.8
79.05471	15.2
81.07040	43.2
82.07356	1.2
83.05002	1.1
83.08604	6.3
83.94387	0.9
85.06516	1.7
91.05460	18.1
93.07023	32.3
95.04950	3.5
95.08589	44.0
97.06532	4.8
97.10159	4.2
99.08081	1.4
103.05456	1.6
105.07011	77.4
106.07342	1.8
107.04953	1.2
107.08573	47.5
108.08907	2.1
108.73024	1.1
109.06501	2.7
109.09380	2.1
109.10137	37.6
110.10464	1.6
111.08057	2.1
111.11647	1.3
115.05437	1.3
117.07001	8.0
119.08556	54.8
121.06487	1.3
121.10123	58.8
122.10422	1.1
123.08022	5.6
123.10847	1.9
123.11688	23.5
125.09589	1.3
128.06184	1.7
129.07027	4.8
130.07780	1.7
131.08540	24.1
133.06473	2.0
133.10107	40.9
134.10492	1.3
135.04401	3.0
135.08023	4.0
135.11665	30.1
137.09593	6.4
137.13243	3.7
139.11165	1.6
142.07777	3.4
143.08545	11.8
144.09364	2.1
145.08952	1.8
145.10098	34.0
146.10519	1.4
147.08015	3.1
147.11653	24.5
149.09586	18.6
149.13210	21.1
149.14401	0.9
151.11151	8.8
155.08556	4.1
156.09343	3.5
157.10095	11.5
158.10855	3.2
159.07985	1.0
159.10352	1.8
159.11668	31.0
160.12381	1.2
161.09616	3.8
161.13234	16.8
162.13603	1.1
163.11156	9.2
163.14812	16.5
165.12714	3.1
165.16348	1.2
167.08516	1.6
169.10114	6.1
170.10869	2.1
171.11671	16.4
171.59422	0.8
172.12346	1.8
173.09657	2.8
173.13219	26.0
174.13658	1.6
175.11267	5.2
175.14795	45.9
176.15126	2.7
177.12737	6.7
177.16350	27.9
181.10101	2.1
183.11630	5.8
184.12379	1.7
185.13231	14.9
187.11157	2.8
187.14786	40.8
188.15193	2.4
189.12665	4.7
189.16342	22.0
189.17987	1.4
190.16679	1.3
191.14278	5.2
191.17952	2.7
193.15855	7.2
195.11705	4.0
197.13220	7.1
198.13768	1.4
199.14772	22.4
200.15427	1.6
201.12701	2.0
201.16356	17.8
202.16821	1.3
203.14337	5.1
203.17917	17.8
204.18321	1.1
205.15851	3.5
207.11739	1.6
207.17438	2.7
209.13243	2.9
210.13954	1.1
211.14771	5.6
213.16356	20.6
214.17122	9.0
215.14461	2.4
215.17917	29.5
216.18292	1.1
217.15849	4.2
217.19507	3.7
219.17502	1.6
223.14803	2.3
225.16408	5.0
227.17923	6.8
229.15872	3.2
229.19489	4.1
231.17426	8.2
233.18922	8.6
235.14719	1.6
237.16364	2.9
239.17899	3.7
241.19412	6.7
243.17366	1.8
243.21092	4.5
245.19032	2.7
249.16299	1.7
251.17928	3.2
253.19511	2.7
255.17361	1.4
255.20972	5.8
257.19046	2.9
257.22629	4.7
265.19589	2.7
267.21048	4.7
269.22638	2.9
271.20627	1.9
271.24103	1.4
281.19016	1.1
281.22482	2.0
283.20526	1.6
285.15060	1.3
285.21933	1.0
293.22534	2.0
297.22171	1.1
305.22562	1.6
307.24030	1.2
319.24130	1.4
333.25708	2.2
337.25229	1.5
347.23157	1.3
347.27328	2.2
351.12277	1.4
361.28903	2.2
365.28473	1.6
371.27353	1.4
379.29459	2.0
379.33975	5.3
389.28122	9.7
389.32040	22.4
390.32227	2.4
407.18210	3.0
407.29083	24.1
407.33047	100.0
408.29465	2.9
408.33994	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05496	8.5
57.07054	2.4
59.62423	0.5
61.43981	0.5
65.03930	0.8
67.05494	10.3
68.46951	0.5
69.03429	0.6
69.07055	14.7
69.76511	2.2
69.76941	1.9
71.08609	1.1
79.05476	10.7
80.71941	0.4
81.07040	35.0
82.07375	1.2
83.04935	1.1
83.08607	6.6
88.11637	0.5
91.05456	10.4
93.07029	24.4
94.07346	0.6
95.04929	2.7
95.08588	38.3
96.08938	0.7
97.06522	1.2
97.10147	2.5
99.08071	0.7
103.05465	1.0
105.07008	74.0
106.07346	1.9
107.08573	40.1
108.08907	0.5
109.06493	2.4
109.09386	0.9
109.10139	19.9
111.08054	1.0
115.05431	0.6
117.07001	4.6
119.08560	36.6
120.08910	0.9
121.10122	38.2
122.10466	1.3
123.08052	3.8
123.11681	12.2
125.09637	0.9
128.06258	0.9
129.06985	2.5
130.07777	0.9
131.08533	15.2
133.06421	0.6
133.10101	28.6
134.10417	0.9
135.08055	2.3
135.11673	16.4
136.11958	0.5
137.09607	2.9
137.13213	2.0
139.11180	0.7
142.07773	1.2
143.08537	5.4
144.09322	1.3
145.10098	28.2
146.10594	0.7
147.08037	1.2
147.11652	15.1
149.09628	2.9
149.13235	22.1
150.13599	1.3
151.11166	2.2
155.08502	1.4
156.09351	1.3
157.10095	8.6
158.10834	2.1
159.08092	0.6
159.11668	20.8
160.12296	1.6
161.09589	1.5
161.13237	9.9
163.11157	1.6
163.14784	13.6
164.33701	0.6
165.12740	0.8
165.16380	1.3
169.10135	1.7
170.10872	0.9
171.11653	9.6
172.12358	1.9
173.09677	1.0
173.13228	17.2
174.13857	1.3
175.11160	2.1
175.14792	50.0
176.15144	2.8
177.12779	1.9
177.16353	68.9
178.16696	3.4
179.14235	0.6
181.10141	1.3
183.11684	3.7
185.13242	7.0
187.14778	35.1
188.15204	1.9
189.12720	1.6
189.16347	16.0
190.16739	0.7
191.14293	6.8
191.17967	2.1
193.15868	1.9
195.11646	1.6
197.13246	2.6
198.13979	0.9
199.14757	9.4
200.15515	0.9
201.16356	13.6
201.18153	1.0
203.14288	3.5
203.17937	10.0
204.18304	0.8
205.15871	4.8
205.19557	0.8
207.17497	1.2
209.13222	1.5
211.14752	3.2
213.16354	13.3
214.17061	3.4
215.14391	2.2
215.17912	33.4
216.18291	1.9
217.15887	4.9
217.19341	2.9
219.17458	1.1
223.14818	1.4
225.16295	2.7
227.17906	3.4
229.15947	3.5
229.19490	3.2
231.17401	23.6
232.17802	1.5
233.18941	8.7
237.16342	1.5
239.17926	2.6
241.19513	2.7
243.17401	3.9
243.21060	1.6
245.18994	1.3
251.17952	1.3
253.19554	1.7
255.21098	2.4
257.18912	6.0
257.22723	0.6
259.20642	0.9
265.19543	2.0
267.21100	2.2
269.19052	1.2
269.22525	1.1
271.20590	1.2
271.24380	0.6
277.19434	0.9
279.21091	1.8
281.22644	1.4
283.20535	1.5
283.24023	0.7
291.20834	0.9
293.22522	1.2
297.22147	1.6
305.22650	0.9
307.24014	1.4
309.25659	0.8
311.23700	1.4
319.24121	1.0
321.25534	0.7
333.25699	1.4
335.27356	0.8
337.25104	1.0
345.82275	0.5
347.27328	1.3
349.28989	1.0
351.26678	1.0
355.71161	0.5
363.30286	0.7
365.28207	0.8
374.29364	0.6
379.33688	2.5
389.31958	28.7
390.32352	2.9
407.33047	100.0
408.33395	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	407.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.05499	5.7
57.07066	1.9
59.04964	0.5
65.03909	0.9
67.05492	9.5
69.03377	0.5
69.07055	10.3
70.07414	0.5
71.08603	0.8
71.79696	0.5
77.03886	0.5
77.61922	0.4
79.05479	5.9
81.07041	17.7
83.04958	0.9
83.08606	5.2
83.65091	0.4
85.06547	0.7
91.05453	10.0
93.07024	19.4
94.07345	0.4
95.04954	1.3
95.08588	34.0
96.08879	0.7
97.06517	1.0
97.10143	2.1
99.08073	3.2
103.05429	0.7
105.07008	22.8
106.07352	0.7
107.08570	32.3
108.08884	0.7
109.06481	1.4
109.09376	0.8
109.10133	15.3
109.48532	0.4
110.10417	0.4
111.08057	0.7
115.05421	0.7
116.06194	0.6
117.06995	5.6
119.08558	50.3
120.08890	1.4
121.06516	0.5
121.10123	28.4
123.08040	1.9
123.10860	0.7
123.11684	7.7
125.09606	0.7
128.06187	1.0
129.06963	1.8
130.07747	1.2
131.08542	22.0
133.10104	22.8
134.10481	0.4
135.08025	2.1
135.11656	10.7
136.11992	0.6
137.09589	2.2
137.13194	1.6
139.11172	0.5
141.06964	0.7
142.07718	1.5
143.08530	7.7
144.09274	1.7
145.10095	40.9
146.10612	0.6
147.07938	0.5
147.11661	15.0
149.09598	4.2
149.13240	8.9
151.11180	2.2
151.14746	0.5
152.61479	0.4
153.12781	0.4
155.08514	1.4
156.09300	2.1
157.10097	9.9
158.10904	3.5
159.11662	29.2
160.12209	1.1
161.09593	0.6
161.13226	11.3
163.11176	5.1
163.14789	8.9
169.10039	3.3
170.10815	2.1
171.11635	10.8
172.12428	2.3
173.13229	24.2
174.13817	0.8
175.11218	1.1
175.14787	17.4
176.15100	1.1
177.12709	1.7
177.16342	10.6
178.16733	0.5
179.14247	1.3
181.10056	0.9
182.10884	0.8
183.11662	6.1
184.12344	0.8
185.13213	11.5
186.13835	1.2
187.14786	60.8
188.15135	2.1
189.12749	0.7
189.16347	14.4
190.13449	0.5
190.16699	0.7
191.14311	2.4
191.17908	4.6
193.10031	0.5
195.11630	2.4
196.12370	0.9
197.13223	4.1
198.13930	0.5
199.14781	9.4
201.16347	62.0
202.16690	2.3
203.14293	1.1
203.17915	7.7
205.15845	25.2
206.16173	1.1
207.11613	1.0
207.17406	6.6
208.12323	0.5
209.13228	2.0
210.13876	0.5
211.14752	4.7
212.15242	0.5
213.16345	12.8
214.16809	0.5
215.14438	2.0
215.17917	6.9
217.15863	1.9
217.19476	1.8
219.17415	1.5
221.13220	0.5
223.14818	2.4
224.15671	0.7
225.16379	2.7
227.14359	0.6
227.17903	9.6
228.18390	0.6
229.15837	0.8
229.19470	3.5
231.17336	1.9
231.20979	0.5
233.18994	4.7
235.14822	1.0
237.16359	1.6
239.17900	2.0
241.19467	2.2
243.17336	0.8
243.21022	1.0
245.18828	1.0
249.16357	1.1
251.17923	1.6
252.18437	0.8
253.19501	3.6
255.21057	2.2
257.18973	0.9
257.22574	0.7
259.20660	1.1
263.17908	1.0
265.19559	2.4
267.20975	4.6
268.21487	0.5
269.19061	0.4
269.22662	1.0
277.19507	1.1
278.20471	0.5
279.20901	1.8
281.22586	1.3
285.22046	0.6
291.21042	0.8
293.22589	1.5
295.24030	0.8
297.22028	0.6
305.22623	0.8
307.24225	0.7
309.25577	0.5
311.23578	1.4
313.25244	1.1
319.23953	2.0
321.25665	0.6
323.23657	0.8
333.25760	1.2
335.27313	4.3
337.25345	2.0
347.27301	0.7
349.28711	0.8
351.26709	1.1
365.28192	0.6
377.28641	0.5
379.33438	1.4
389.32007	10.4
390.32227	0.8
407.33023	100.0
408.33362	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	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01879	0.7
55.05499	6.4
57.07048	2.2
65.03907	1.0
67.05489	8.2
69.03403	0.9
69.06734	0.9
69.07058	10.1
71.08603	0.8
74.04570	0.6
79.05052	1.0
79.05473	8.3
81.07043	18.2
83.04955	2.1
83.08607	5.9
91.05455	11.3
93.07030	18.4
93.20361	0.6
94.07380	0.6
95.04926	1.4
95.08590	33.4
97.06509	1.2
97.10109	2.2
99.08042	2.4
105.07014	22.3
107.04910	0.7
107.08572	39.3
108.08933	0.9
109.06486	1.7
109.10136	19.4
111.08065	1.4
115.05432	0.7
117.07010	5.7
119.08559	52.1
120.08853	1.3
121.06456	1.7
121.10124	37.9
122.10402	1.2
122.51845	0.6
123.08031	1.8
123.11679	7.3
125.09647	1.3
128.06172	1.7
129.06967	2.1
130.07744	1.5
131.08543	24.0
133.10101	24.2
135.08018	2.2
135.11670	15.1
137.09583	4.3
137.13199	2.1
141.06964	0.8
142.07732	1.3
143.08546	5.1
144.09334	1.6
145.10098	43.3
146.10458	1.3
147.10545	1.1
147.11649	15.3
149.09634	3.2
149.13226	11.0
151.11121	1.7
155.08485	1.2
156.09308	2.1
157.10103	8.5
158.10875	4.2
159.11670	30.2
160.12117	1.3
161.13223	11.1
163.11151	18.8
163.14796	7.9
164.11470	1.4
165.12682	1.3
169.10104	2.3
170.10858	2.1
171.11661	9.8
172.12358	2.8
173.13232	34.1
174.13715	1.1
175.14803	21.8
176.15108	0.8
177.12766	1.9
177.16357	25.9
178.16736	0.6
179.14336	0.7
183.11655	3.9
184.12387	0.9
185.13223	11.9
186.13805	0.8
187.14787	53.8
188.15135	2.5
189.12633	0.6
189.16348	14.5
190.16692	0.7
191.14255	3.3
191.17917	3.6
197.13179	2.2
198.08395	0.8
199.13060	1.0
199.14780	11.8
201.16354	63.5
202.16716	1.9
203.14389	0.8
203.17883	6.5
205.15843	100.0
206.16151	4.9
207.17424	8.4
211.14732	2.3
213.16359	8.7
215.14400	1.4
215.17888	4.3
217.15851	2.4
217.19472	2.2
219.17384	2.5
225.16310	1.9
227.17899	4.4
229.15874	0.9
229.19431	2.8
231.17403	1.2
233.18988	2.5
239.17870	1.2
241.19437	2.0
243.17500	0.6
251.18022	0.9
253.19543	1.2
255.20988	0.9
267.21143	1.2
269.22653	1.1
279.21283	0.8
281.88867	0.7
291.25787	0.7
311.23526	1.3
313.25113	0.9
337.16403	0.7
337.25195	1.6
351.26843	0.9
365.28348	0.9
389.31989	7.0
407.33023	68.7
408.33377	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05503	7.6
57.03427	1.1
57.07055	3.1
62.88748	0.6
65.03931	1.0
67.05496	15.1
69.03416	1.6
69.07058	15.3
70.14920	3.9
71.04972	1.8
71.08604	0.9
79.05482	10.6
81.07045	34.9
83.04977	1.6
83.08609	7.2
85.06517	1.4
91.05474	13.5
93.06425	1.0
93.07029	25.9
95.04969	3.3
95.08592	42.0
96.08929	0.8
97.06522	2.9
97.10165	3.9
98.20694	0.8
99.08081	1.9
105.07015	46.3
106.07322	1.1
107.08578	33.8
109.06502	2.4
109.10144	25.3
109.88447	0.7
111.08068	1.4
111.11709	1.1
117.07000	6.8
119.08567	44.0
120.08926	0.9
121.06483	1.5
121.10126	37.4
122.07236	0.7
122.10457	0.8
123.08057	4.0
123.11684	15.8
124.12033	0.9
125.09623	1.2
128.06210	1.0
129.06992	3.0
130.07739	1.1
131.08549	25.4
133.10114	35.3
133.11133	1.8
134.10464	0.9
135.08041	2.0
135.11674	19.4
137.09564	3.4
137.13220	2.8
139.11198	1.0
142.07764	1.5
143.08539	9.4
144.09338	2.6
145.10103	33.3
146.10716	0.7
147.11667	19.6
149.09631	4.7
149.13242	14.6
149.90559	0.8
151.07541	0.8
151.11163	3.2
151.14807	0.9
155.08511	2.4
156.09348	1.6
157.10107	11.2
158.10905	1.6
159.11681	21.7
160.12117	1.1
161.09595	2.0
161.13246	15.4
163.11194	4.5
163.14792	10.9
165.12761	2.2
167.08540	0.9
168.09312	0.8
169.10162	3.3
170.10844	1.7
171.11664	11.1
172.12410	1.6
173.09660	0.9
173.13234	23.9
174.13655	1.4
175.11169	2.1
175.14798	41.0
176.15198	1.3
177.12703	2.4
177.16354	21.1
180.09558	0.9
181.10133	1.0
183.11681	4.9
184.12419	1.0
185.13243	13.8
186.13777	1.4
187.14792	52.0
188.15186	2.4
189.12715	1.3
189.16357	22.9
190.16956	1.0
191.14238	5.1
191.17868	3.9
193.15910	1.6
195.11758	2.4
196.12480	0.9
197.13293	4.1
199.14792	14.7
200.15320	1.4
201.12581	1.1
201.16347	26.4
201.18123	1.3
203.14378	2.2
203.17908	7.4
205.15857	7.2
205.19586	1.3
207.17422	1.5
209.13179	1.7
211.14702	3.7
213.16345	12.2
214.17084	5.2
215.14449	1.4
215.17912	22.1
216.18315	1.0
217.15813	4.2
217.19495	3.3
219.17439	3.1
223.14755	1.7
225.16411	4.0
227.17906	4.0
229.15898	2.1
229.19472	4.3
231.17439	5.1
231.21005	1.0
233.18961	6.2
237.16364	2.5
239.17912	3.4
241.19507	5.1
243.17509	1.6
243.21063	2.5
245.19003	0.9
253.19469	3.6
255.21033	4.0
257.19055	1.5
257.22736	0.9
259.20444	1.6
263.17947	0.8
265.19513	1.5
267.21060	3.0
269.22345	1.1
271.20529	0.8
279.21082	1.1
281.22778	1.2
283.20560	2.0
293.22696	1.6
295.24106	1.6
305.22955	1.0
309.25800	4.5
323.23724	0.9
333.25864	1.7
335.27249	1.0
347.27319	1.3
349.28897	1.1
351.26819	1.9
363.30292	1.7
365.28406	0.9
379.33542	3.0
389.23920	1.0
389.31970	19.9
390.32275	1.3
407.11478	3.8
407.33087	100.0
408.11990	2.1
408.28912	1.2
408.33560	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05494	2.6
57.03419	2.7
59.04982	2.1
61.02921	1.2
67.05489	5.3
68.67637	1.0
69.03418	2.7
69.07053	6.8
69.73993	7.3
70.06584	1.4
71.04993	1.9
71.23774	0.9
72.08132	2.2
79.05486	22.2
81.03416	3.8
81.07046	33.2
83.04947	1.9
83.08614	2.9
85.02885	7.0
91.05470	4.4
93.07030	13.9
95.04949	18.3
95.08588	12.2
97.02885	2.8
97.06518	15.9
99.04440	4.4
105.07022	7.8
106.12784	1.0
107.08579	100.0
108.08947	1.4
109.02912	1.6
109.06507	4.3
109.10149	5.9
111.08086	1.6
114.10301	2.2
115.07549	2.4
119.08569	7.0
119.09289	1.3
121.10120	27.0
123.08061	3.3
125.09624	3.9
127.03896	3.1
131.08563	2.3
133.10118	7.1
135.11684	7.5
139.11137	2.5
145.05008	1.7
145.10149	2.4
147.11678	2.8
148.11873	1.2
149.13272	4.4
151.11166	2.7
153.09039	5.8
161.02402	1.2
161.13239	14.2
163.03847	5.5
163.14795	13.5
167.07080	2.2
167.14290	1.1
167.48705	1.2
168.07515	1.2
169.69887	1.1
172.79768	1.2
173.02405	1.8
173.13266	3.8
175.14833	4.1
177.12807	2.5
178.98318	1.2
179.14287	98.9
180.14682	4.0
191.14294	30.2
192.14706	1.6
193.15857	15.7
209.15352	57.6
210.15726	2.5
215.06989	5.9
227.16382	1.3
250.05693	1.1
259.09424	5.4
277.10599	2.3
299.16339	2.2
328.80618	1.3
335.18515	3.5
353.19513	4.2
371.20645	2.0
389.21838	3.9
407.17548	2.2
407.22809	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05501	21.2
55.32018	1.9
57.03434	2.1
65.03957	1.9
67.05494	7.2
69.03416	11.0
69.07059	7.7
69.57804	13.8
69.58211	3.6
70.06586	2.1
72.08142	4.1
79.05487	4.7
81.07043	5.6
83.04495	3.6
83.04968	50.4
83.08610	16.2
83.85121	2.5
84.04500	3.0
85.02890	21.0
85.06528	6.1
91.05464	12.3
93.07034	14.0
95.04957	5.6
95.08581	11.0
97.02916	4.6
97.06522	6.7
97.10170	11.1
99.04494	2.4
105.03407	5.8
105.07027	3.5
106.03651	2.2
107.08588	42.4
107.78947	1.8
109.02857	2.9
109.06513	7.5
109.10167	9.0
110.06039	3.3
111.08070	40.7
113.06024	9.2
114.10270	2.1
115.16878	2.4
119.08571	7.7
121.02851	5.3
121.06514	2.6
121.10155	17.9
122.05996	2.9
123.08073	4.7
123.11661	2.9
125.05997	1.8
125.09627	7.9
127.03905	7.2
127.07533	16.6
130.08560	2.6
131.08527	3.3
132.73466	1.9
133.10110	28.6
135.08014	5.2
135.11684	31.8
137.06058	2.3
137.09637	5.6
139.11153	3.2
141.09071	4.4
145.04910	5.0
147.11688	8.0
149.09572	2.9
149.13264	8.5
150.93956	1.7
151.11159	15.8
153.09091	68.7
163.14819	12.5
163.16016	1.8
167.07040	3.9
173.13232	14.2
173.34703	1.8
187.07516	3.2
191.14296	100.0
192.14760	3.1
200.04764	1.9
203.89365	2.0
209.15347	98.0
215.07057	6.1
233.26460	2.0
259.11334	3.9
384.55792	2.3
389.21759	6.4
407.23148	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	406.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
55.01854	1.0
55.05499	10.8
57.03418	1.1
60.96131	0.7
61.02931	0.9
67.05494	3.6
69.03407	1.6
69.07057	2.6
70.06563	1.2
71.04970	2.9
71.67677	0.9
72.08135	3.4
77.77335	0.7
79.05465	2.0
81.03398	1.1
81.07052	3.1
83.04963	9.1
83.08606	10.9
85.02904	3.7
91.05464	1.7
93.07027	3.2
95.04951	60.4
95.08575	2.8
97.02860	1.5
97.06522	9.4
97.10149	1.3
98.21494	1.2
99.04446	10.0
101.47115	0.7
105.07009	1.6
107.08559	6.1
109.06488	2.3
109.10139	5.8
111.08065	3.3
114.10291	2.8
116.07066	1.1
116.36948	0.9
119.08591	1.1
121.10130	4.1
122.05990	0.9
123.04358	0.8
123.08003	1.1
123.11720	2.1
125.09596	3.0
127.03874	1.5
131.12898	2.2
133.10101	5.2
135.04413	1.1
135.08069	1.2
135.75943	0.8
137.05936	0.8
137.09563	1.0
144.83122	0.8
145.02731	0.8
145.10075	1.3
146.08138	1.5
147.11642	1.0
149.13225	2.0
151.11157	14.4
151.12279	1.5
153.07951	1.5
153.09071	13.5
159.04305	1.0
161.02290	2.0
163.03879	5.1
167.07095	1.1
167.14304	18.8
173.02280	4.5
173.13242	2.8
181.12286	1.0
191.14275	2.0
209.15335	100.0
210.15556	2.5
215.06975	5.9
227.16479	2.2
257.11337	0.7
259.09540	5.0
371.20648	2.5
389.21725	2.6
407.22864	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.27877	0.4
55.01862	0.6
55.05503	17.8
57.03407	1.0
59.04984	1.2
60.05634	0.7
61.02910	0.5
67.05506	2.9
69.03408	3.3
69.07051	1.8
70.06564	0.6
70.10273	2.9
71.04963	1.3
71.42058	0.6
72.08138	1.6
78.03446	0.9
79.05471	1.5
81.03408	2.8
81.07047	4.5
83.04967	16.7
83.08608	14.4
85.02891	4.4
85.06530	0.6
86.09663	1.1
91.05470	1.2
93.07039	3.1
93.84875	0.5
95.04945	1.5
95.08608	3.4
96.04463	0.5
97.02869	1.8
97.06516	5.2
97.10156	2.8
99.04413	1.5
99.08073	1.1
105.07036	2.2
106.02913	4.8
107.08582	7.3
109.02866	2.1
109.06501	2.4
109.10143	10.1
109.49592	0.5
111.04402	0.7
111.08074	3.6
113.09698	0.5
114.10281	1.2
119.08566	1.2
121.10135	4.2
122.06041	0.7
123.08044	0.7
123.11688	4.0
124.03937	6.3
125.09615	4.3
127.03895	1.4
131.08534	1.6
131.12880	0.7
133.10095	5.3
135.08008	1.8
135.11586	0.6
140.07040	0.6
145.04919	0.8
145.10110	0.8
147.11720	1.5
149.13240	2.8
151.11160	24.2
153.09087	1.5
161.02382	0.8
163.03896	2.4
163.14865	0.8
167.07008	0.9
167.14291	32.5
168.14580	0.9
173.02325	1.6
173.13228	3.6
177.08586	0.5
188.07013	0.8
191.14200	2.9
197.98613	0.5
198.00546	0.5
209.15341	100.0
210.15674	2.8
215.07043	3.6
227.12759	0.6
227.16379	2.9
250.07082	3.2
259.09393	2.8
268.08139	1.9
277.10675	0.9
389.21710	0.9
406.21371	0.7
407.22772	8.4
432.19449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
55.05489	1.3
56.05024	5.2
57.03420	4.1
58.99574	8.4
61.01131	0.7
68.05003	1.2
69.07050	0.5
70.06545	0.8
71.18579	1.3
73.01113	1.2
73.70170	0.5
74.00642	1.6
76.02215	16.8
76.03979	1.6
77.82677	0.5
78.61070	0.5
79.05484	2.7
81.07041	13.3
84.03983	1.1
84.04487	23.2
84.08109	1.7
84.78458	0.5
85.01111	3.0
86.00625	3.5
86.09680	2.8
86.99039	5.6
87.02668	4.6
88.02173	1.6
94.06534	1.0
95.08583	2.4
96.08103	0.8
97.06501	2.1
98.09673	11.4
99.08070	3.4
100.02119	0.6
102.05506	4.6
105.06987	1.5
110.09634	1.5
112.03930	3.3
113.04212	4.9
114.03722	0.8
115.05834	1.1
116.01653	20.3
122.09653	1.6
122.61922	0.6
123.08042	0.7
127.05724	1.2
129.06555	3.1
129.07375	0.9
130.04967	6.8
130.06839	3.9
130.08594	1.7
139.05736	1.5
142.03192	2.1
142.04909	0.6
143.02760	1.0
144.01129	7.2
145.05998	0.8
156.08391	16.6
156.10167	10.5
157.06790	7.6
162.02170	19.5
170.02599	0.9
174.09464	13.0
179.04826	8.6
187.05267	0.7
188.03777	0.6
189.03285	0.8
197.16492	1.3
210.11227	2.5
215.04895	0.6
216.06807	4.1
225.15942	0.6
233.05820	1.8
242.08344	0.8
245.05984	1.5
259.11075	100.0
260.09033	0.9
260.11627	3.7
277.12103	1.3
285.12671	1.9
308.09103	1.3
313.12042	4.5
331.13162	6.2
388.15225	1.7
389.14218	0.6
406.16333	5.2
406.21576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.372
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05507	5.8
57.07067	9.4
60.19634	0.9
62.88312	0.7
67.05505	1.7
69.07054	8.5
71.08620	6.6
71.27830	1.2
71.28160	1.3
79.05445	1.0
81.07021	2.9
83.01322	8.3
83.05005	1.2
83.08607	4.8
85.02843	0.8
85.06458	0.8
85.10162	3.1
91.05475	1.0
93.07014	2.3
95.08580	2.6
97.06522	3.1
97.10137	3.8
105.07032	0.9
107.08573	3.3
109.06540	1.7
109.10131	2.6
111.08072	3.1
111.11665	1.6
119.08572	1.1
121.10134	2.1
123.08034	2.2
125.05989	5.0
125.09608	4.8
127.07545	2.5
135.07990	1.1
135.11633	1.6
137.09586	1.9
139.07524	20.8
139.08546	1.6
139.11150	2.9
149.13228	1.4
151.11121	5.3
153.09106	5.3
153.12743	2.3
163.11122	0.9
165.98895	0.8
167.10666	6.5
173.13261	0.9
177.12766	1.0
181.12199	10.4
195.13765	7.6
209.15263	5.1
223.16928	3.4
237.18533	1.9
241.13130	0.8
251.19939	1.3
265.21695	1.9
279.23224	2.2
307.26382	0.9
387.36136	2.4
404.79578	0.9
405.37219	100.0
406.37561	4.1
419.52261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1903
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
53.03921	0.8
53.11074	0.2
55.01850	0.7
55.05476	0.2
57.03430	0.3
65.03910	0.5
66.04686	0.3
67.05482	0.6
67.96803	0.2
69.03399	0.4
70.06573	0.6
71.07555	0.5
71.07893	0.2
72.08131	1.0
73.02938	0.2
77.03937	0.3
78.04699	3.4
79.05067	0.4
79.05484	4.1
81.03403	0.9
81.07032	0.7
82.06560	0.2
85.02862	0.5
86.09695	0.6
88.05544	0.2
91.05470	2.8
93.07019	0.8
94.06565	0.6
95.04958	1.7
95.08605	0.5
96.05728	0.4
97.02868	0.7
97.06510	0.6
98.06033	0.3
99.04422	0.7
103.05446	5.1
105.04508	0.4
105.07012	6.3
106.04152	1.8
107.04939	7.5
108.05723	0.3
109.02864	1.1
109.06490	0.7
110.03734	0.3
110.06014	1.0
114.10259	0.8
115.05437	2.5
117.07006	1.1
118.04110	0.3
119.04924	1.2
119.08575	0.3
121.06490	1.7
122.03592	0.5
122.06004	1.1
123.04411	7.4
123.08030	0.7
124.05198	3.5
125.05964	0.9
127.03909	1.6
128.06230	0.3
129.06992	0.6
131.04912	6.8
131.08542	0.8
132.05656	0.4
133.05524	0.4
133.06473	6.2
134.03566	0.5
135.08029	1.3
136.05173	0.3
137.05975	4.4
140.07037	0.8
141.06973	0.8
143.04909	0.5
143.05988	0.5
144.05678	0.5
145.06474	2.2
145.10014	0.4
147.04391	1.9
147.07983	0.3
149.05942	0.9
149.07288	0.3
149.09595	0.3
151.03882	1.7
151.07538	3.8
152.04663	2.6
153.05417	0.7
156.05629	0.3
157.06479	0.7
157.10857	0.3
158.07237	0.7
159.08058	1.1
160.05141	0.7
161.05959	6.7
163.07515	14.6
164.07965	0.4
167.07011	100.0
168.04182	0.3
168.07320	2.8
169.06418	0.4
172.05185	0.6
173.05968	1.2
173.09659	0.4
175.07523	1.6
175.90579	0.2
177.05513	0.3
177.09082	2.0
178.06197	0.6
179.07002	3.0
181.04941	1.0
181.08572	4.8
183.07968	0.3
185.09727	0.2
187.07513	2.4
189.09055	1.0
191.07024	0.4
192.07770	0.4
193.08571	19.4
194.08890	0.7
195.08047	0.4
195.10056	0.5
201.09038	0.9
203.06934	0.6
203.08641	0.6
205.08571	1.0
207.10115	0.8
209.15335	0.3
215.06992	0.2
217.08531	0.8
219.08101	0.3
219.10089	2.5
220.08867	0.6
229.08469	0.3
231.08075	0.4
233.08032	0.6
233.11618	1.2
237.11147	1.2
242.03452	0.2
243.16072	0.4
248.08321	0.4
255.10011	0.3
263.10764	1.0
275.10748	0.3
279.10953	0.3
291.10208	0.9
295.13220	0.9
323.12717	2.9
324.13629	0.3
327.15942	0.3
330.14200	0.2
346.22864	0.2
355.15384	6.4
356.15884	0.4
387.17950	1.6
405.21561	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59224	3.8
50.64673	3.9
50.71451	3.4
53.03929	6.8
55.01864	5.3
55.05502	30.7
57.03412	18.0
57.30276	3.5
62.83087	4.1
67.05499	71.8
69.03391	4.4
69.07049	26.1
70.06571	3.9
71.04967	8.3
71.08622	23.7
71.08947	4.4
76.58124	3.9
79.05480	44.8
81.03384	4.4
81.07043	81.5
83.04956	13.9
83.08588	25.1
85.02877	3.8
85.06517	4.0
91.05458	28.1
93.06494	5.2
93.07030	60.0
95.04933	15.8
95.08592	29.6
97.06504	9.0
97.10129	9.0
99.08070	29.5
105.07005	33.2
107.08586	37.6
109.06512	5.7
109.10144	17.7
111.08030	8.7
117.06976	10.3
119.08535	21.9
121.10106	25.4
123.11626	7.5
125.09602	11.3
129.01859	4.3
129.06944	6.5
131.08568	18.2
133.10110	27.0
135.08005	5.2
135.11673	15.7
137.09590	4.8
139.11118	5.4
140.14331	5.3
143.08488	4.7
145.10123	13.9
147.11658	12.6
149.13295	23.7
151.11134	13.9
157.10048	6.7
159.11684	21.4
161.09631	6.0
161.13235	17.0
163.11140	7.0
163.14778	5.5
169.10060	4.4
171.11714	6.7
173.11708	12.7
173.13182	5.2
177.12695	16.2
179.14270	11.7
185.13226	5.0
189.11134	10.1
195.13867	10.2
223.81544	4.0
227.12712	19.5
241.19354	9.0
245.13719	5.8
253.17938	8.6
259.20557	11.3
269.17438	100.0
277.21622	23.4
286.20065	12.0
351.25311	50.4
370.70670	4.2
404.34094	6.5
405.27133	5.5
406.63275	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	404.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59224	3.8
50.64673	3.9
50.71451	3.4
53.03929	6.8
55.01864	5.3
55.05502	30.7
57.03412	18.0
57.30276	3.5
62.83087	4.1
67.05499	71.8
69.03391	4.4
69.07049	26.1
70.06571	3.9
71.04967	8.3
71.08622	23.7
71.08947	4.4
76.58124	3.9
79.05480	44.8
81.03384	4.4
81.07043	81.5
83.04956	13.9
83.08588	25.1
85.02877	3.8
85.06517	4.0
91.05458	28.1
93.06494	5.2
93.07030	60.0
95.04933	15.8
95.08592	29.6
97.06504	9.0
97.10129	9.0
99.08070	29.5
105.07005	33.2
107.08586	37.6
109.06512	5.7
109.10144	17.7
111.08030	8.7
117.06976	10.3
119.08535	21.9
121.10106	25.4
123.11626	7.5
125.09602	11.3
129.01859	4.3
129.06944	6.5
131.08568	18.2
133.10110	27.0
135.08005	5.2
135.11673	15.7
137.09590	4.8
139.11118	5.4
140.14331	5.3
143.08488	4.7
145.10123	13.9
147.11658	12.6
149.13295	23.7
151.11134	13.9
157.10048	6.7
159.11684	21.4
161.09631	6.0
161.13235	17.0
163.11140	7.0
163.14778	5.5
169.10060	4.4
171.11714	6.7
173.11708	12.7
173.13182	5.2
177.12695	16.2
179.14270	11.7
185.13226	5.0
189.11134	10.1
195.13867	10.2
223.81544	4.0
227.12712	19.5
241.19354	9.0
245.13719	5.8
253.17938	8.6
259.20557	11.3
269.17438	100.0
277.21622	23.4
286.20065	12.0
351.25311	50.4
370.70670	4.2
404.34094	6.5
405.27133	5.5
406.63275	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.6
57.03422	2.5
67.05495	2.8
69.03413	3.5
69.07056	2.0
70.06588	2.2
71.04980	3.1
71.33694	3.2
72.08155	1.9
73.02897	1.4
79.05482	4.7
81.07028	3.5
81.48621	1.2
83.04973	2.9
85.02893	10.1
85.06529	4.5
91.05470	19.0
93.07040	3.2
95.04965	3.9
95.08604	4.5
95.33265	1.2
97.02871	2.8
97.06479	1.4
103.05460	1.7
105.03381	43.8
105.07011	40.5
106.03711	2.4
107.08591	11.6
109.02888	1.7
109.06499	13.7
109.10125	2.3
117.07012	3.7
119.08569	41.8
120.09017	1.4
121.10104	9.6
123.04427	3.0
123.08054	7.2
123.11676	3.5
125.06011	1.3
127.03931	2.0
130.34396	1.4
131.08553	6.5
132.09444	1.8
133.06487	4.5
135.11595	1.3
137.06042	1.5
137.09589	6.0
143.08588	1.7
145.10095	11.5
147.08034	2.2
147.11670	73.8
148.12038	3.4
149.09604	12.0
151.07486	3.0
156.09338	4.3
161.13240	2.9
163.11148	5.3
165.12750	5.0
167.06985	7.5
171.11674	2.6
174.10513	1.3
177.05504	2.8
179.07010	16.9
189.12726	52.0
190.12939	2.3
193.08630	3.1
197.08099	17.6
202.98926	1.5
203.07082	1.7
207.13779	100.0
208.14113	3.9
225.14854	2.9
252.90425	1.2
300.82455	1.3
387.19919	1.7
405.21335	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87726	1.0
55.01852	0.9
55.05494	2.1
57.07071	0.9
59.05002	1.0
65.03963	1.0
67.05470	2.7
69.03410	1.6
69.07059	2.6
71.04980	3.8
71.79530	1.9
71.79909	1.3
79.05478	3.3
81.03406	1.2
81.07042	3.6
82.80628	1.1
83.04955	3.0
83.08607	3.0
84.03308	0.8
85.02886	8.3
87.04455	5.0
91.05464	4.3
93.07018	4.4
95.04954	5.8
95.08598	4.2
97.02864	1.2
97.06509	2.5
97.10096	0.9
99.04452	7.8
105.07007	4.1
107.08578	38.0
108.08881	1.4
109.02895	1.7
109.06535	7.0
109.10108	1.3
118.06532	2.1
119.08566	2.6
121.10115	7.9
123.08053	100.0
123.11699	5.9
124.08363	2.7
125.05973	2.6
125.09613	23.1
125.10489	2.1
131.08559	3.5
133.06459	1.3
133.10095	1.0
135.11702	1.2
137.05969	3.4
139.11150	2.9
145.10103	2.2
146.05981	2.5
147.04457	1.4
147.11694	1.9
149.09599	34.5
150.02649	1.5
150.09889	1.1
151.07492	5.8
151.11217	2.2
161.05888	1.9
165.12732	3.2
167.07047	4.0
167.10655	12.0
171.11670	1.4
176.14346	1.1
181.04898	1.8
183.13788	3.8
188.07066	5.7
189.12662	7.1
202.76834	1.0
207.13774	11.6
222.53874	1.1
225.14824	73.5
226.15157	4.2
235.13228	1.8
237.14758	2.1
249.14821	2.1
261.14914	1.2
279.16049	1.1
297.01553	0.9
313.69479	1.0
333.16956	2.0
369.18826	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	3.1
57.03426	3.1
61.32941	2.0
67.05500	5.9
69.03417	4.2
70.23029	9.4
72.08131	2.5
74.46850	1.9
75.04484	3.7
81.07049	16.4
85.02896	78.6
91.00526	2.0
91.05467	100.0
92.05797	2.2
93.07030	3.0
94.68209	2.4
95.08582	6.6
101.20534	1.9
105.03369	2.4
105.07042	5.9
107.08569	4.8
109.10140	11.5
119.04932	3.6
119.08584	8.7
121.10126	9.0
123.11691	97.4
125.05968	5.1
137.05966	5.7
139.67548	1.9
141.01837	3.3
145.10127	6.6
147.04340	2.1
147.07962	2.5
147.11670	15.1
149.09616	7.2
151.07545	2.0
156.09369	2.0
161.06036	1.9
163.03882	2.5
165.12868	1.8
179.06984	2.3
189.12694	17.3
193.08585	48.3
194.08965	4.1
207.06589	5.0
207.13780	70.4
208.14072	2.1
211.09705	11.1
225.07512	2.5
225.14816	16.5
369.11777	2.8
405.21521	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	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85613	1.5
70.35484	8.0
72.08131	1.6
75.59084	1.5
81.07044	2.7
85.02912	12.4
91.05461	32.2
98.20757	2.1
99.69795	1.6
105.07001	3.2
107.08585	1.8
117.07079	1.5
119.04919	8.1
119.08573	7.6
123.11663	6.3
133.06451	3.3
133.10106	1.6
134.45721	1.6
137.05936	1.8
145.10110	13.0
147.04366	4.9
147.07988	1.7
147.11646	21.3
156.09238	3.7
167.07062	3.4
171.11661	4.4
175.03871	11.0
189.12720	100.0
190.13071	5.1
193.08556	14.6
207.06496	29.8
207.13789	9.9
208.06906	2.3
211.09663	6.6
224.16132	1.8
225.14978	2.0
229.94260	1.7
261.84564	1.6
405.21173	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	404.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01854	1.6
55.05494	4.4
56.96529	1.4
57.03432	2.5
67.05495	3.1
69.03397	5.5
69.07059	2.0
69.77698	12.1
70.06575	1.9
71.04983	18.8
72.08134	2.9
78.84047	1.4
79.05471	1.8
81.03398	5.9
81.07045	8.3
83.04951	4.8
83.08601	4.4
85.02901	10.2
86.09687	2.3
91.05473	4.4
93.07017	4.2
95.04936	7.5
95.08568	4.5
97.02869	3.6
97.06500	3.2
98.20715	2.9
99.04436	51.8
103.05419	1.5
105.07012	9.0
107.04967	3.3
107.08565	26.3
107.20159	1.5
109.02827	2.1
109.06504	17.1
111.71509	1.5
113.09611	3.6
114.10277	1.5
116.74380	1.5
119.04881	1.5
119.08555	7.5
121.10114	11.6
123.08047	52.1
123.11694	7.4
124.08447	1.7
125.09618	9.1
127.03888	4.2
130.06477	1.9
131.08551	2.7
133.06502	2.3
135.11601	2.2
137.05946	3.8
137.09596	3.5
139.03867	6.0
139.11116	2.2
144.51721	1.5
145.04948	3.0
145.10098	4.7
147.07945	2.1
147.11659	6.8
149.09607	12.2
151.07521	12.6
152.19420	1.4
161.09523	1.6
161.12041	1.4
161.13167	7.6
163.03841	3.0
163.10005	1.4
163.11201	11.0
165.12761	7.4
167.07004	9.9
167.10646	23.9
181.04915	3.8
183.13788	16.1
189.05487	1.8
189.12715	14.0
193.08572	3.9
200.14363	4.3
201.09181	1.9
207.10158	2.4
207.13785	10.7
214.15826	3.6
224.16589	2.0
225.11201	6.4
225.14813	100.0
226.15137	3.4
228.17514	2.3
249.14862	2.9
404.15863	2.9
404.20557	17.2
405.21115	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	404.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05486	3.4
57.03413	2.8
60.34514	1.0
61.02903	1.1
67.05490	2.1
69.03414	1.8
69.07045	2.9
70.14788	3.2
70.15211	2.3
79.05483	2.5
81.03378	1.3
81.07030	6.1
83.04971	6.3
84.32909	1.0
85.02894	17.2
85.06527	2.0
86.09694	1.5
91.05460	2.6
92.70902	1.0
93.07019	4.0
95.04952	2.4
95.08605	5.1
97.02874	2.0
97.06510	4.3
97.08922	0.9
105.03385	2.0
105.07001	7.2
107.04928	1.1
107.08582	7.9
109.06489	15.6
109.10146	4.1
111.08055	3.8
117.06985	1.8
119.08567	8.3
121.10125	12.1
123.08035	6.0
123.11691	14.1
131.08533	1.2
133.06488	1.1
133.10091	2.5
135.08102	1.5
135.11641	1.1
137.05948	2.1
137.08571	1.5
137.09601	25.2
137.13177	1.7
145.10143	1.4
147.08078	1.9
147.11661	16.1
149.09584	5.5
151.03911	1.2
151.07492	2.5
151.11189	1.1
156.09344	1.5
161.05914	1.3
161.13231	8.6
163.11230	6.3
165.12730	100.0
166.13109	2.7
167.07036	4.0
171.11642	2.6
174.10373	3.5
179.10587	1.1
179.14258	8.9
189.12717	18.2
189.60500	0.9
193.08475	1.5
207.10258	7.9
207.13776	51.8
208.14101	3.0
225.11241	2.8
225.14787	1.8
263.58545	0.9
276.98511	1.0
404.20245	1.1
405.21136	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	404.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
54.03462	1.2
55.01861	1.6
55.05490	4.2
56.05014	2.0
57.03408	1.2
58.06585	1.3
61.02915	1.1
65.03913	4.4
67.04237	17.4
67.05486	4.8
69.03415	2.6
69.07058	9.4
70.06588	8.5
71.04984	1.4
71.79208	1.2
72.08145	7.8
73.08483	1.2
79.05480	2.6
80.05004	5.6
81.03395	3.3
81.07057	1.2
82.06571	100.0
82.55482	0.9
83.04961	2.6
83.06937	1.2
84.04504	8.3
84.07644	1.8
84.08132	23.8
84.69906	1.0
85.02894	7.6
85.08444	1.4
86.09698	68.6
87.10033	1.7
91.05464	7.5
93.03418	1.0
93.07002	2.7
94.06565	2.3
95.04966	3.8
95.08601	1.7
96.08121	3.9
97.02860	3.5
97.06512	2.0
97.07665	1.0
98.06028	1.3
99.04457	2.4
100.07607	86.7
101.07916	1.2
103.05433	1.8
105.04523	1.3
105.07007	2.5
107.04949	2.3
107.08590	2.2
109.02858	3.2
109.06456	1.7
109.07639	2.4
109.08485	1.0
109.10116	0.9
110.06030	9.1
111.06841	2.5
112.07610	8.2
112.11223	2.4
114.09177	9.0
114.09968	1.4
115.05484	1.1
116.07050	2.6
117.03385	1.5
118.06566	2.0
119.04926	8.0
119.08566	2.0
120.08058	1.2
121.02802	1.2
121.06478	4.7
122.06026	1.5
123.04420	5.4
127.03883	2.5
129.06961	1.2
129.10242	1.3
130.06503	2.1
130.08643	1.6
131.04918	4.2
133.06519	1.9
133.10121	2.6
135.04405	2.2
135.11646	1.4
136.07549	7.7
137.05963	3.4
138.05513	2.1
138.09105	1.1
140.07033	2.5
145.04910	1.3
145.06474	1.4
146.05995	2.2
147.04364	9.1
148.07561	2.9
149.05934	2.0
150.12793	6.2
151.03865	1.3
151.07565	1.3
152.14331	3.9
153.05460	1.3
155.08519	1.2
157.06502	2.6
159.08002	2.1
161.05913	1.9
162.05495	1.6
163.03964	5.9
165.05461	5.4
165.09084	1.2
165.13889	1.5
167.07018	11.0
171.08054	1.3
172.08878	8.4
173.09579	3.4
174.11259	2.1
175.03886	9.3
175.07494	2.0
177.05466	2.4
177.09059	1.5
177.13815	1.3
178.12260	6.0
179.06993	2.6
180.08636	1.5
181.04956	2.7
182.08105	4.8
183.06581	1.2
183.08041	1.9
185.09604	4.8
186.09001	1.1
187.07503	2.6
188.07068	2.2
189.05530	1.2
189.09036	1.7
192.04208	2.9
194.08093	2.2
195.14922	27.3
197.12872	3.0
200.10690	10.5
201.09123	2.0
202.12308	2.5
203.06979	1.4
207.06502	30.5
208.06892	1.8
211.07535	2.1
211.09462	1.2
218.11749	3.8
223.14392	15.0
225.07529	15.2
228.10141	2.3
229.05046	1.3
229.08592	4.1
236.12772	2.2
242.10338	1.2
242.13831	1.6
246.08879	2.1
246.11240	25.8
257.04507	1.3
263.13876	34.5
264.14084	1.5
275.13791	2.0
285.03891	5.1
295.16498	2.4
313.19165	2.1
327.04874	4.1
359.19620	13.1
360.19800	3.1
374.20700	2.1
376.22299	13.5
383.28955	1.0
386.20667	3.8
387.19235	8.2
404.17236	4.0
404.21799	64.0
405.08951	2.2
405.16669	2.8
405.21875	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	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03940	2.6
53.89412	0.4
55.05503	1.0
57.03423	1.3
69.03423	9.3
70.06579	0.4
70.25859	0.4
71.00546	0.8
71.00887	0.5
71.04981	1.4
73.02919	0.7
78.03446	9.8
80.05020	1.9
81.03404	16.4
81.03873	0.9
83.04964	2.1
83.56551	0.4
85.02895	7.7
96.04475	4.5
97.02874	4.7
98.91992	0.4
99.04441	2.4
101.06003	4.8
102.06353	0.4
106.02901	47.3
107.03261	1.0
109.02865	10.0
124.03937	100.0
125.04266	2.4
127.03908	6.2
136.03951	2.5
137.05937	0.5
140.03392	0.6
145.04950	1.2
147.04385	0.6
154.04846	0.5
161.05957	0.9
166.05042	1.4
167.06982	0.9
169.35922	0.4
175.07559	0.6
177.05379	0.5
193.57880	0.5
196.06020	0.6
203.06975	0.8
207.06511	1.3
225.07523	0.6
232.06015	3.3
250.07074	18.8
251.07437	0.8
268.08127	66.2
269.08490	2.9
285.03943	1.1
286.09119	2.6
312.56125	0.4
368.13150	0.8
386.14355	0.8
404.15402	11.8
405.15408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.3
61.08828	0.3
70.96539	0.9
70.96899	0.8
73.02906	0.9
75.04462	2.1
84.79494	0.5
85.02892	3.8
89.42110	0.4
91.05465	100.0
92.05790	2.4
95.01307	2.3
99.00764	0.4
105.03381	5.1
113.02348	1.6
119.04949	0.8
131.03352	0.9
137.05951	9.8
141.01817	6.0
147.04402	0.4
155.69525	0.5
159.02853	0.9
160.88893	0.4
175.03830	0.7
179.06987	2.3
189.12764	0.9
193.08575	53.1
194.08920	2.7
197.08037	1.7
207.06454	1.4
211.09615	25.7
212.09825	0.9
221.37883	0.4
268.08109	0.7
305.03070	0.5
369.11923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03389	1.2
51.52577	1.3
53.03922	4.3
55.01855	3.2
55.05500	6.5
56.05026	2.8
57.07075	1.7
59.04972	1.4
60.04519	1.5
60.05617	1.6
67.04244	1.5
67.05479	4.4
69.03415	8.0
69.07065	7.8
70.06587	12.5
70.75077	5.4
70.94553	1.1
71.04976	1.7
72.08143	32.5
73.08498	1.4
74.06065	3.3
79.05470	4.1
81.03405	4.1
81.07049	3.7
82.06570	13.7
83.04979	9.5
84.04482	4.1
84.08117	4.7
85.02885	8.5
85.06512	3.6
86.09692	60.0
87.04432	1.7
88.03976	1.9
91.05460	16.6
93.07035	48.8
94.07384	1.5
95.04963	9.0
95.08568	4.1
96.08112	1.4
97.02872	4.0
97.06504	3.1
99.04483	1.9
100.07590	8.8
101.07117	4.1
103.05437	3.8
105.07005	4.8
107.04923	1.5
107.08575	4.4
109.02876	2.3
109.06454	2.5
109.10142	2.3
110.07172	1.3
111.08109	1.7
112.07580	2.0
114.09106	3.5
114.10226	2.5
116.07079	3.4
117.06982	1.5
119.04937	3.5
119.08553	2.7
120.08078	2.4
121.06490	100.0
121.10129	3.6
123.04407	1.7
123.08053	2.0
125.05973	2.8
127.03888	4.1
127.07587	7.6
127.08392	1.4
128.03319	2.3
128.10777	1.5
129.01823	4.1
129.07024	2.2
129.10213	5.4
131.04889	1.9
131.08559	2.7
133.06404	1.5
133.10097	1.9
135.04370	1.9
135.07977	1.5
135.11652	2.0
136.07487	1.8
137.05939	4.1
137.09587	2.2
138.05415	1.4
138.09068	2.7
139.03844	3.2
139.07524	3.7
140.07118	1.5
141.10164	1.4
143.11794	1.9
145.10091	3.2
147.04379	5.0
147.08047	2.1
149.05977	3.5
149.09601	3.3
151.03905	1.8
151.07477	1.8
153.05412	4.7
155.10590	1.6
156.10168	1.5
157.09901	1.7
159.11678	9.0
161.05899	2.8
161.09479	1.8
163.03847	6.5
163.07474	3.0
163.11147	2.9
165.05453	2.4
165.09081	2.3
167.07022	7.1
172.08763	1.8
173.12901	10.7
175.03894	5.6
175.10880	5.2
177.05426	3.2
177.09085	3.6
177.12727	2.5
178.05881	1.5
181.04958	2.7
183.06531	1.8
183.11346	1.4
187.11066	3.9
187.14371	2.7
189.12318	2.8
191.06982	2.1
195.14966	2.7
197.12798	1.4
200.10660	2.5
201.12343	16.6
203.13867	8.0
205.12206	52.8
207.06511	13.8
209.08162	2.0
215.10289	1.7
215.13918	2.0
218.11703	2.0
223.13235	24.9
225.07556	4.9
229.11812	4.4
241.08630	1.9
246.11201	4.2
247.12877	2.6
263.13870	4.1
264.07257	1.3
265.08615	1.5
268.07355	1.4
371.11237	1.7
385.20386	1.6
403.14459	2.8
403.22845	4.6
404.17169	2.6
404.21887	6.1
421.15012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22914	4.9
55.01859	11.3
55.05500	30.9
57.03417	23.7
67.05495	78.8
69.03424	8.5
69.07056	54.0
71.79463	11.1
79.05476	59.1
81.07046	86.8
83.04968	24.9
83.08595	24.9
91.05466	53.7
93.07031	74.4
95.04970	15.1
95.08578	49.3
97.02857	8.6
97.06515	19.0
97.10175	8.7
99.08086	6.7
105.06989	29.8
107.04932	12.7
107.08570	57.0
109.06496	9.7
109.10136	16.3
111.04472	6.6
111.08077	7.1
117.07002	20.5
119.04942	6.3
119.08548	25.6
121.06458	10.3
121.10150	29.7
125.09612	12.9
129.06967	6.6
131.08554	23.8
133.10110	30.5
135.08020	5.4
135.11702	29.6
136.18562	6.2
145.10103	19.4
147.04408	17.7
147.07956	6.7
147.11690	18.1
149.09618	16.5
149.13228	19.2
157.10141	5.4
159.11670	29.6
161.13170	9.3
163.11229	9.1
171.10130	6.5
171.11624	10.9
173.13289	15.7
177.12749	12.6
179.14284	7.0
181.25371	5.5
185.08005	7.5
188.90024	6.8
189.11102	6.6
195.13763	10.9
227.12836	14.5
246.17685	6.2
255.15852	60.6
257.19052	6.4
269.17404	100.0
275.19980	43.2
276.27444	6.1
349.23569	42.1
367.24698	11.5
403.14102	6.2
403.24991	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	402.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22914	4.9
55.01859	11.3
55.05500	30.9
57.03417	23.7
67.05495	78.8
69.03424	8.5
69.07056	54.0
71.79463	11.1
79.05476	59.1
81.07046	86.8
83.04968	24.9
83.08595	24.9
91.05466	53.7
93.07031	74.4
95.04970	15.1
95.08578	49.3
97.02857	8.6
97.06515	19.0
97.10175	8.7
99.08086	6.7
105.06989	29.8
107.04932	12.7
107.08570	57.0
109.06496	9.7
109.10136	16.3
111.04472	6.6
111.08077	7.1
117.07002	20.5
119.04942	6.3
119.08548	25.6
121.06458	10.3
121.10150	29.7
125.09612	12.9
129.06967	6.6
131.08554	23.8
133.10110	30.5
135.08020	5.4
135.11702	29.6
136.18562	6.2
145.10103	19.4
147.04408	17.7
147.07956	6.7
147.11690	18.1
149.09618	16.5
149.13228	19.2
157.10141	5.4
159.11670	29.6
161.13170	9.3
163.11229	9.1
171.10130	6.5
171.11624	10.9
173.13289	15.7
177.12749	12.6
179.14284	7.0
181.25371	5.5
185.08005	7.5
188.90024	6.8
189.11102	6.6
195.13763	10.9
227.12836	14.5
246.17685	6.2
255.15852	60.6
257.19052	6.4
269.17404	100.0
275.19980	43.2
276.27444	6.1
349.23569	42.1
367.24698	11.5
403.14102	6.2
403.24991	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	402.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	43.6
57.03424	29.0
57.07069	7.4
58.95264	8.3
67.05500	75.9
69.03442	10.6
69.07051	38.7
71.04983	10.1
71.79172	7.3
71.79526	8.8
79.05495	63.5
81.03394	7.5
81.07044	100.0
83.04967	16.8
83.08600	28.0
85.02884	8.2
85.39667	7.9
91.05460	56.8
93.07024	65.3
93.21565	7.9
95.04970	13.4
95.08603	44.3
97.02869	15.0
97.06547	15.6
97.10162	12.2
105.07000	47.6
107.08588	56.4
109.06570	7.9
109.10162	27.8
111.08125	8.2
117.07005	16.3
119.08578	36.5
121.10145	23.5
123.08062	10.4
125.09626	14.2
129.01814	13.0
129.07010	13.1
131.08569	20.7
133.10152	39.3
135.08054	8.5
135.11671	31.2
143.08530	8.8
145.10078	40.7
147.04391	19.3
147.11694	16.0
148.12083	9.4
149.09621	23.1
149.13235	17.7
155.83919	7.5
159.11697	18.5
163.11095	11.2
169.10091	8.8
171.11670	9.9
173.13235	17.5
177.12718	11.7
179.14467	10.3
189.11221	13.3
196.63660	8.8
255.15881	57.4
257.18994	21.4
269.17514	60.9
275.20218	48.2
324.63831	8.6
349.23776	54.4
402.32562	12.4
403.13846	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	402.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10173	0.2
50.63728	0.2
52.10307	0.2
55.01847	0.3
55.05481	0.3
57.03421	0.2
57.07058	1.6
58.53907	0.2
60.04471	0.2
65.03933	0.6
67.05476	0.6
69.03415	0.6
69.07049	0.2
69.30128	0.2
75.70186	0.2
79.05461	0.4
81.03399	0.9
81.07024	0.6
85.02892	1.7
85.06576	0.3
91.05473	0.5
93.03397	0.4
93.07025	0.6
94.06559	0.2
95.04950	0.3
95.08567	0.5
97.02841	0.5
97.06494	0.3
105.06997	0.8
107.08550	0.4
109.02860	0.3
109.10084	0.3
111.04459	0.4
111.23705	0.2
114.09150	0.6
121.02842	2.2
121.06466	0.2
121.10085	0.2
123.08036	0.2
127.03905	0.6
130.08614	0.6
132.08784	0.2
133.06395	0.2
145.04907	0.3
145.10016	0.4
149.02318	100.0
150.02666	2.0
160.09616	0.3
162.07516	0.3
167.03378	1.9
167.07051	0.7
168.07356	0.3
180.08585	0.3
187.14961	0.2
190.04994	0.5
205.08595	3.7
223.09618	14.7
224.10017	0.3
230.50618	0.3
277.08438	0.2
290.21808	0.2
308.46252	0.2
316.09030	0.3
331.11063	0.3
384.15189	0.6
402.16119	0.5
402.26630	0.3
403.13846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1541
Annotation	Noyaine
Peak:m/z	Relative Intensity
53.03941	0.5
54.06855	0.3
60.14400	0.4
62.82088	0.3
68.60414	0.3
68.99781	1.1
69.03434	0.6
69.70373	3.2
70.06583	100.0
71.06898	0.8
72.08151	0.6
79.05489	0.5
81.03401	1.3
85.02932	0.5
91.05476	0.7
93.07048	0.7
103.05479	1.2
106.02918	2.1
107.04964	1.4
109.02855	0.9
121.06489	1.5
124.03936	3.5
130.13177	0.5
131.04893	0.6
135.04382	2.9
139.03879	12.8
139.04958	0.7
145.02885	0.5
147.04443	0.4
149.05962	4.3
151.03891	0.8
159.04424	0.7
161.05997	0.7
163.03889	6.2
165.05478	1.3
175.07582	0.5
177.05447	52.5
178.05756	0.9
179.40843	0.4
181.04958	3.3
189.05464	0.6
201.05447	0.4
205.05019	0.5
219.06532	0.5
234.11226	2.5
250.07045	1.3
256.06354	0.9
261.38455	0.4
268.08160	1.5
327.08636	1.0
345.09634	9.3
346.10043	0.6
402.15439	56.4
403.15894	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	402.1542
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
52.96132	0.3
54.03456	0.9
55.01854	0.5
55.05519	0.4
56.87049	0.3
59.04982	0.7
65.03945	0.4
68.99788	0.7
69.03394	0.4
70.06577	100.0
71.06923	1.1
72.08141	1.3
79.05449	0.7
79.12670	0.3
81.03419	0.7
81.07037	0.7
84.08121	0.6
85.02899	0.8
86.09681	1.4
89.06025	0.3
91.05480	0.6
93.07020	0.6
95.04931	0.4
97.02882	0.4
103.05470	0.6
107.04910	1.8
109.02846	0.7
110.07149	0.6
114.09140	0.6
121.06469	1.4
122.05965	0.4
124.03949	0.6
124.36017	0.3
127.03952	0.3
131.04907	0.5
134.40082	0.3
135.04388	4.0
135.05331	0.4
137.05988	0.4
139.03874	17.7
140.03314	0.3
140.07054	0.6
145.02875	0.5
147.04372	0.5
147.68756	0.4
149.05949	3.5
152.07024	0.4
153.05406	0.5
159.04369	0.8
161.05998	0.7
163.03879	8.8
165.05452	0.9
167.07036	0.6
177.05434	37.6
178.05791	1.1
179.06934	0.4
181.04918	3.9
182.05240	0.4
189.05434	1.0
191.07047	0.4
195.06482	0.6
201.05452	0.6
207.06488	0.7
209.15590	0.3
212.35297	0.3
223.15414	0.5
234.11229	1.2
240.12335	0.3
277.39056	0.4
327.08575	0.7
345.09604	10.8
384.14746	0.4
402.15393	49.8
403.15897	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.4
55.05497	15.9
57.07055	7.9
60.67625	5.5
62.03873	5.5
63.97974	5.2
64.01953	5.3
67.05492	19.5
69.07050	19.4
71.04974	12.1
71.79664	6.2
79.05474	22.8
81.07046	45.9
83.08601	6.8
86.95688	5.5
87.04470	7.0
91.05462	48.4
93.07027	67.3
95.04974	10.8
95.08602	33.3
97.02877	14.7
97.06496	6.5
105.07010	88.8
107.08574	41.1
109.06508	74.6
109.10148	23.9
115.05434	11.5
117.06997	23.9
119.08566	100.0
121.10126	25.6
123.08048	7.8
128.06194	7.8
129.06990	22.8
130.07814	9.7
131.08545	61.0
133.10109	79.8
135.08015	17.1
135.11688	25.1
137.09627	9.5
141.06950	6.1
142.07726	28.4
143.08549	46.2
144.09366	7.6
145.10110	93.0
147.08031	9.3
147.11684	25.1
154.96465	5.0
155.08527	22.2
156.09349	23.6
157.10098	63.5
158.10835	13.5
159.08023	7.0
159.11703	33.1
165.07063	7.3
167.08484	12.1
168.09224	7.6
169.10109	18.7
170.10878	11.6
171.11674	38.0
173.13219	49.6
175.14752	18.0
179.08563	10.2
181.10094	12.5
183.11714	24.5
185.13321	14.0
187.14807	41.9
189.12738	12.1
193.10089	9.5
194.10892	7.2
195.11635	20.4
197.13243	16.5
199.14787	26.5
201.12724	10.2
207.11696	13.0
209.13231	21.2
221.13225	17.0
223.14697	10.5
237.16383	10.0
265.19540	12.7
277.19363	9.7
317.67337	5.6
342.64093	6.2
401.13754	25.8
401.17593	33.3
401.22647	10.9
401.27948	30.2
402.14145	8.9
402.18616	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	401.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94851	0.5
55.05506	6.5
57.05789	1.4
67.05477	0.7
68.05013	2.6
69.03409	1.0
69.05788	1.8
69.76993	1.5
69.77426	2.3
70.06212	0.9
70.06582	18.2
72.08145	38.3
79.05487	1.3
81.07030	0.8
83.06076	1.2
85.02896	0.9
86.09686	1.6
91.05459	1.4
93.07007	0.7
95.04950	1.5
95.08591	0.6
96.08121	1.5
97.06503	0.6
101.06005	0.6
105.07014	0.6
107.04937	2.0
115.05442	1.0
116.07074	0.7
117.03374	0.8
119.08578	1.0
123.04402	1.7
124.03939	3.9
127.03951	0.5
127.08737	0.7
129.06973	0.6
130.38007	0.5
130.73289	0.5
131.04932	0.5
131.08501	0.6
132.08067	1.5
134.05998	48.7
135.04436	0.6
135.06810	8.9
136.07526	1.4
137.06020	0.7
139.03844	0.6
139.08687	0.6
139.12195	0.6
141.07013	0.6
145.02818	2.3
145.06465	0.7
145.10123	0.6
149.05969	0.9
156.05730	0.9
159.07985	1.3
159.09146	0.7
160.07518	0.6
165.05377	1.0
167.07028	4.0
170.07230	2.0
171.08022	1.2
174.09123	20.4
177.05484	5.7
181.04933	0.8
183.06500	2.0
183.07945	0.5
186.09120	9.2
187.07509	1.2
191.07071	1.3
195.11301	2.3
203.06982	1.2
203.11784	27.1
204.12016	0.9
205.09798	6.0
206.10439	1.7
207.11227	0.7
213.10309	0.7
216.07933	0.9
217.08510	2.7
218.09477	1.1
219.08208	1.1
219.10143	2.3
231.08200	0.6
231.10280	1.7
239.16380	0.7
245.12939	3.3
247.07489	1.4
247.09697	0.7
263.06927	0.7
274.15472	29.9
275.15741	0.8
277.08746	0.6
279.10040	0.7
286.15665	0.7
291.10077	0.6
291.63828	0.6
299.09116	0.8
302.14966	100.0
303.15375	3.5
307.09604	1.0
315.08517	1.6
319.09406	0.7
330.10919	1.8
330.18164	2.7
337.10767	1.0
339.12286	1.1
353.10153	0.7
361.99091	0.6
369.13254	2.4
373.22232	1.0
383.10565	0.7
383.14877	2.4
401.16095	8.2
401.21774	18.7
402.15631	0.6
402.22299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03931	4.6
55.01868	3.9
55.05493	12.1
57.07064	5.7
59.04998	2.9
65.77092	2.9
67.05494	12.6
69.03406	6.8
69.06704	2.7
69.07052	17.3
69.85191	20.9
70.06573	8.7
71.04974	10.2
72.08135	8.5
72.62006	3.0
79.05491	27.2
81.03410	9.0
81.07040	34.4
82.08179	2.9
83.04944	3.7
83.08619	6.4
85.02883	12.1
85.06548	3.2
91.05481	18.4
93.07027	28.3
95.04942	10.1
95.08595	33.7
97.02908	5.1
97.06507	10.3
97.10169	2.8
98.21413	5.5
103.05460	4.5
105.07024	32.2
107.04944	30.1
107.08595	36.2
109.02903	4.6
109.06504	6.3
109.10142	28.1
112.61311	2.8
114.09164	3.4
115.05448	6.7
116.06263	3.3
117.06992	7.6
119.08553	27.2
121.06462	3.6
121.10154	25.8
123.04411	8.7
123.11697	19.7
124.05178	6.5
125.05979	6.7
125.09621	4.6
125.47890	2.8
127.03934	4.0
127.11238	4.4
128.06281	3.1
129.06989	9.8
131.04924	3.2
131.08549	18.3
133.06429	4.6
133.10135	17.0
135.08096	4.7
135.11688	28.7
137.05994	7.6
137.09592	4.4
137.13217	6.4
139.03899	3.0
141.06950	4.3
143.10648	5.5
144.05659	5.5
145.06493	7.1
145.10100	9.3
147.08020	3.6
147.11668	19.4
149.02432	3.4
149.13245	15.3
151.03911	4.8
153.01804	18.5
156.05658	8.0
157.06511	4.1
157.10100	4.2
159.08034	13.5
159.11713	11.8
160.05157	4.2
161.06007	6.9
161.13246	10.2
163.03911	3.7
163.07497	3.3
163.14795	5.7
167.07013	87.8
169.06534	2.8
171.08029	4.2
173.06039	4.7
173.13211	5.7
175.07545	4.6
177.05432	3.2
181.04979	15.8
183.06479	3.7
183.07927	3.2
185.13292	4.1
186.06531	3.7
187.07524	7.2
187.14828	7.9
189.05392	3.7
189.08984	3.9
189.16379	3.7
191.06966	6.2
191.08589	3.7
191.17944	3.6
193.08600	3.9
195.06502	6.4
200.08537	3.3
201.16371	3.6
202.06207	6.5
202.07857	3.9
203.06946	6.1
203.08676	4.9
203.17932	8.8
204.07646	3.2
205.06879	2.8
205.08583	18.5
205.19530	4.8
207.06592	6.7
208.05138	21.3
211.07544	4.9
217.08548	35.4
218.07323	6.0
218.09131	4.0
219.08012	13.6
219.10156	10.9
220.08682	7.8
221.06062	6.6
221.08015	8.2
221.15521	4.4
221.18991	5.7
222.08469	4.4
229.08559	8.5
231.08141	6.7
231.10220	7.7
232.08800	3.6
233.09535	4.4
235.07523	7.0
235.11104	3.2
236.04672	12.8
236.08362	7.3
240.04146	4.0
245.09561	4.6
247.07523	11.3
247.09738	17.9
248.08238	16.0
249.09070	5.0
251.10606	5.2
254.05748	11.6
255.06447	3.3
257.04291	3.0
261.09076	8.2
262.06635	3.1
262.09808	5.6
263.07083	8.5
263.10666	11.4
264.07813	6.7
265.08447	8.4
267.06540	9.2
269.08087	21.2
271.09711	6.3
272.06723	4.9
275.06967	8.3
276.07779	6.4
277.08505	8.0
279.10080	13.0
282.08853	12.2
290.09119	7.1
291.10077	18.3
292.07306	6.4
292.10513	3.5
293.08023	9.9
295.09476	4.3
299.09085	6.7
305.08154	3.9
307.06250	4.8
307.09509	15.6
308.10449	7.1
310.08359	7.7
311.12692	4.4
315.08597	96.5
316.09048	6.6
319.09592	7.0
321.10971	3.5
322.08438	3.8
323.09332	4.8
323.12778	15.8
324.09845	3.6
328.09415	6.0
330.10959	100.0
331.11771	17.5
336.09909	5.5
337.10593	7.2
339.08527	4.2
339.12250	7.5
343.11880	22.5
351.12292	28.1
352.12549	4.8
353.10098	7.1
355.11777	8.4
365.53766	2.9
368.12515	10.2
369.13263	10.7
371.14850	5.0
373.16486	3.4
383.10080	5.6
383.14890	95.5
383.29358	11.3
384.15225	6.1
401.16064	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01867	1.6
55.05506	4.5
56.05028	2.0
56.96552	6.8
57.03429	2.0
58.06583	2.7
58.56322	0.8
61.02913	2.7
67.05495	0.9
69.03428	5.2
69.07061	1.8
70.06581	25.6
71.04994	1.0
71.78844	1.4
72.08144	100.0
73.02913	2.7
73.06541	0.9
73.08479	1.3
73.52953	0.8
79.05466	1.1
80.05048	1.0
81.03395	2.3
81.07052	5.3
82.06551	1.4
83.04901	1.0
83.08585	2.7
84.04498	2.1
84.08130	17.2
84.96004	1.3
85.02889	10.3
85.07645	6.3
85.08456	0.8
86.06048	1.2
86.09686	1.5
87.04471	1.4
90.58458	0.8
91.03925	1.0
91.05465	2.7
91.90818	0.7
93.07038	1.1
95.08598	0.7
96.08127	1.6
97.02885	7.7
97.06538	0.9
97.85616	0.9
98.03218	1.1
98.06075	0.7
98.09679	15.4
98.97563	9.9
99.04437	1.3
102.05541	0.9
102.96841	1.6
107.04909	1.2
108.08083	2.3
109.02855	1.4
109.06496	4.5
110.07117	1.0
110.09664	42.9
110.97545	1.4
111.08068	0.8
112.07614	1.7
112.08720	1.2
112.11232	12.4
113.07106	2.7
114.05466	0.9
114.09142	2.8
114.10284	5.4
115.03886	2.3
115.12315	6.1
116.07091	1.5
116.98602	8.5
119.04932	3.2
120.05235	0.9
120.97929	1.1
121.06450	1.6
123.89000	0.9
124.07558	1.1
127.03911	2.2
127.12289	6.1
128.03401	1.1
128.98589	3.5
129.13857	3.3
130.05046	0.8
130.08650	1.5
131.00142	1.3
133.04878	0.7
134.99652	2.8
136.06157	8.3
136.11107	0.9
137.05930	11.5
138.06354	1.4
138.09132	1.7
138.12773	1.0
140.07045	1.7
140.14291	6.8
143.00150	1.2
145.04977	1.3
146.99612	1.4
147.04393	6.4
147.06602	0.8
148.04745	1.1
148.06033	1.0
149.01137	1.0
150.09172	0.9
152.00214	1.2
152.07042	2.3
152.14322	23.7
153.14679	1.0
155.04631	2.9
155.11807	0.8
155.15433	1.8
155.54868	1.2
156.14964	4.8
157.04330	1.6
157.16974	22.2
158.17291	1.0
158.99629	4.1
161.01234	2.2
161.02815	0.9
161.06006	1.1
163.03914	1.7
164.05272	1.0
165.05490	1.2
166.08627	3.6
167.07016	2.1
170.99606	1.7
177.00670	4.7
178.08629	2.3
178.12270	3.3
179.07042	3.4
181.00037	0.9
181.04974	0.9
184.09680	5.0
186.04337	3.2
189.04045	1.2
194.11768	11.3
195.12447	1.8
195.16054	1.9
196.13284	1.0
201.00609	0.7
204.05458	2.6
206.11707	1.9
208.13271	1.0
209.08109	1.1
209.20097	2.1
219.01729	2.9
221.04832	1.1
221.13986	3.4
222.11246	7.4
224.12778	5.4
226.22749	89.1
227.06715	1.5
227.23103	4.9
229.06424	1.0
236.12750	1.5
237.02765	5.1
238.14230	1.1
244.57860	1.1
250.03281	0.9
250.06021	0.7
250.09221	1.1
251.09674	1.1
252.12434	1.0
254.13986	2.2
259.14453	1.7
260.04507	1.0
260.12860	2.7
264.18283	0.9
265.19016	1.6
268.10385	2.6
272.10120	1.0
272.60312	1.0
273.10287	1.6
273.60474	1.6
274.07248	1.5
274.09848	4.5
274.56750	1.3
277.15424	2.8
278.13834	4.1
281.20990	0.9
282.21741	3.4
283.13281	1.3
291.07266	0.9
291.17090	0.9
292.20172	1.3
293.14908	2.7
294.13654	1.1
295.16559	3.2
296.14969	5.7
309.08694	3.8
310.08932	1.1
311.15955	5.4
313.17493	3.9
314.15997	2.9
322.21185	6.9
326.10632	1.2
336.07129	1.7
346.21265	5.8
347.06006	1.6
351.09296	1.0
352.09723	1.0
364.22208	6.8
382.23352	20.2
383.22076	3.2
400.13037	6.6
400.24390	46.8
401.07510	1.7
401.12299	0.9
401.20236	1.8
401.24802	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	400.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.05491	3.4
57.03424	4.8
61.02905	3.6
61.27272	1.5
67.05492	1.7
68.26295	1.4
69.03424	10.3
69.07056	49.4
69.76937	4.2
69.77352	5.1
70.06577	13.3
71.01347	1.9
71.04980	2.3
72.08138	15.2
73.02895	3.9
73.06529	6.0
75.04462	3.0
75.19783	1.2
79.05486	1.6
81.03400	3.7
81.26232	1.4
83.04969	2.3
84.08128	8.7
85.02886	21.9
87.04452	3.0
88.95543	1.6
90.09815	1.5
91.05481	1.4
93.05505	6.3
95.01308	4.6
96.08125	3.4
97.02892	9.5
97.06501	14.0
98.09704	1.8
98.20683	2.7
99.04419	2.1
101.06010	2.0
105.07030	1.5
107.04939	5.0
109.02870	2.5
110.09670	4.8
113.02358	4.6
114.09132	8.8
115.07551	81.4
117.06998	1.7
119.83226	1.3
121.06450	1.8
122.02386	2.3
123.04405	22.5
125.06018	1.7
127.03912	5.9
131.03398	1.9
135.08031	4.8
136.06168	1.6
137.05952	20.4
139.03938	1.6
141.01810	10.7
151.03801	1.3
151.07549	2.5
152.14316	3.1
157.17007	1.8
159.02939	2.6
161.06023	1.9
161.09619	4.9
163.03903	2.8
163.07526	19.7
165.81113	1.4
169.04938	2.0
177.09099	2.7
181.04921	4.3
189.09128	16.9
189.11212	35.2
199.58406	1.5
207.10175	1.7
215.05569	2.3
220.13277	14.1
222.11343	1.5
225.07581	3.9
226.22728	9.9
233.06619	4.3
238.14349	100.0
239.14670	3.4
251.07614	5.1
258.21613	1.6
266.14355	1.7
318.42014	1.6
358.85776	1.5
365.14453	8.3
382.23364	4.1
400.19653	81.2
400.24124	4.8
401.20102	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	400.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01847	0.9
55.05492	0.3
56.05019	0.3
56.96544	0.7
57.03428	1.7
57.07074	0.2
58.06599	0.3
59.63861	0.2
61.02914	0.3
67.05482	0.3
67.91849	0.2
69.03418	3.6
69.07046	0.5
70.06587	2.9
71.01346	0.5
71.04987	0.4
71.08595	0.4
71.78535	0.4
72.08144	4.6
73.02897	1.0
74.09723	0.2
79.05480	0.3
81.03397	0.8
81.07041	0.3
82.06555	0.3
82.77986	0.2
83.04948	0.3
84.04492	0.4
84.08119	1.4
85.02893	3.2
85.07665	0.4
86.09679	0.4
87.04447	0.6
89.96009	0.2
91.05465	0.5
94.04033	0.4
95.01329	0.2
95.04967	0.3
97.02889	3.1
97.06528	0.5
98.06023	0.3
98.09683	0.9
98.97565	0.8
99.04438	0.9
101.06006	0.3
103.03973	0.2
103.05430	0.5
105.01887	0.2
105.07037	0.3
107.04912	0.3
109.02868	1.1
109.06518	0.4
110.07175	0.2
110.09681	1.7
110.29314	0.2
111.04410	0.6
112.11261	0.6
114.09151	0.7
115.03915	2.0
115.07552	0.5
115.12311	0.2
116.07096	0.2
116.98605	0.8
117.05482	0.5
119.03539	1.2
119.04888	0.3
120.07275	0.4
120.08089	6.3
121.08434	0.2
123.04439	0.7
127.03910	1.4
129.05469	0.3
129.10213	0.4
133.04962	1.2
134.09647	0.3
134.99635	0.3
136.06166	100.0
137.04587	0.8
137.06497	1.1
138.05452	0.3
140.07057	0.3
140.14336	0.3
143.03351	0.3
145.04990	0.7
146.99603	0.4
147.06584	0.4
152.14322	1.0
157.16974	1.3
161.05974	0.4
163.03903	0.6
166.08615	2.9
167.06960	0.4
173.09311	0.3
177.00728	0.3
178.07175	0.3
181.04926	0.5
187.05894	0.2
189.07605	0.6
194.08904	0.2
194.11719	0.7
202.54646	0.2
203.05472	0.3
206.11800	0.2
219.01701	0.5
220.09789	0.3
222.11195	0.3
226.22751	3.7
227.06747	0.2
237.02866	0.8
238.10799	0.4
238.14330	0.3
251.09708	0.2
265.56485	0.3
268.10388	9.2
274.56769	0.6
275.09412	0.3
311.16193	0.2
322.21356	0.3
345.00104	0.2
347.06000	0.4
364.22491	0.3
375.41528	0.2
382.23212	1.1
400.14746	5.9
400.19363	0.3
400.24417	2.7
402.89996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3252
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
53.03949	0.6
54.54027	0.4
55.05497	3.4
57.07071	2.8
60.04501	1.2
67.05495	5.8
69.03407	1.9
69.07060	4.4
70.06562	0.5
70.14091	2.6
71.08606	1.2
79.05460	4.2
80.51901	0.4
81.07043	13.2
83.04954	0.9
83.08602	2.2
85.06512	0.9
85.10151	0.9
87.49387	0.5
88.07615	0.7
90.85081	0.5
91.05466	4.6
93.07025	10.2
94.07362	0.8
95.04941	0.6
95.07990	0.9
95.08595	18.2
97.06508	1.5
97.10143	1.7
101.05993	1.0
105.07011	10.4
107.08577	16.0
108.08957	0.8
109.06487	2.2
109.10146	12.3
111.04415	0.5
111.08083	0.7
115.71568	0.4
117.06986	2.4
119.08567	13.7
121.06494	3.7
121.10126	13.5
122.10442	0.4
123.08048	1.2
123.11705	6.6
125.09593	0.5
129.05453	0.9
129.06987	0.9
131.08545	5.0
133.10109	10.3
135.08020	1.9
135.11673	15.2
136.97014	0.5
137.13208	2.7
139.11087	0.5
143.08633	0.5
144.09325	1.7
145.10104	6.8
147.06491	0.5
147.08014	1.4
147.11665	9.5
149.09601	0.8
149.13239	7.0
151.11162	1.4
151.14728	0.6
153.12721	0.7
157.10097	1.6
159.11667	13.2
160.12073	0.6
161.09709	0.7
161.13242	5.1
163.11159	1.8
163.14803	3.5
165.09087	0.5
170.66885	0.5
171.11674	1.1
173.13234	3.7
175.07617	0.7
175.11151	2.3
175.14754	2.5
177.12724	14.8
177.16321	1.6
185.13225	0.9
187.14771	2.6
189.12762	1.2
189.16388	2.1
191.10660	1.5
191.14287	4.8
191.17900	10.3
192.18301	0.6
199.14803	1.0
201.12759	1.3
201.16405	2.8
203.14349	1.0
203.17931	3.7
205.19531	1.2
207.17451	0.6
213.16187	0.8
215.14407	0.9
215.17943	0.9
217.15933	1.0
217.19548	1.7
227.17847	1.0
229.19588	0.8
231.17365	0.7
231.21082	0.8
245.18867	3.9
253.82228	0.5
257.19153	0.6
259.20612	1.4
271.20502	0.8
273.22070	0.8
285.21973	1.1
297.21970	0.8
311.23785	0.5
363.30325	1.4
381.31488	17.5
382.31732	1.4
387.99332	0.5
399.32544	100.0
400.32855	7.1
400.37827	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	399.2373
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
55.05484	2.4
57.03408	1.0
57.07048	1.6
67.05485	3.8
68.44975	0.5
69.03423	1.2
69.07043	1.9
71.04978	1.8
71.08614	0.8
71.14767	1.5
79.05477	3.4
81.03394	1.3
81.07039	7.5
83.04923	1.5
83.08621	1.0
85.02884	4.7
85.06516	1.0
86.16987	0.8
91.05473	2.8
93.07024	6.6
95.04943	1.4
95.08580	4.8
97.02847	1.2
97.06513	6.4
97.10148	1.2
99.08079	0.6
105.07012	9.1
107.04926	0.8
107.08585	6.8
109.02859	1.0
109.06494	2.0
109.10130	5.8
111.04401	0.6
111.08058	14.6
114.99055	0.6
115.05379	0.6
117.06982	1.5
119.08538	5.6
121.06470	0.8
121.10117	6.6
123.08061	1.5
123.11676	2.8
125.09605	2.7
127.03864	1.0
131.04890	0.8
131.08511	1.6
133.10120	7.2
135.08031	4.1
135.11673	5.5
137.05963	0.9
137.09608	1.5
143.08473	1.0
143.10661	2.2
145.04996	0.8
145.10098	4.8
147.11658	7.3
149.02325	0.9
149.06009	0.7
149.09624	1.5
149.13235	1.6
153.01756	1.3
157.10095	0.9
159.11674	3.2
161.09644	1.3
161.13243	2.3
163.07550	0.6
163.11148	9.1
163.14891	0.6
167.07021	1.1
168.25020	0.6
171.11716	1.0
173.13272	1.2
175.11108	0.7
176.11909	0.7
177.12781	1.2
183.11739	0.8
189.12718	4.3
191.17816	0.7
201.16313	4.0
203.17828	0.8
204.15068	10.7
213.16570	0.7
219.06526	0.8
219.17401	100.0
220.17712	3.2
237.14737	1.2
237.18456	37.0
238.18849	1.3
313.03372	2.0
355.08041	1.9
357.98877	0.6
358.59430	0.6
381.09344	0.9
399.10303	5.9
399.14270	1.0
399.19305	3.8
399.28601	3.2
400.10831	0.9
400.19046	1.0
422.33826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.01855	1.0
57.03427	6.6
58.66811	0.4
61.02918	2.6
69.03419	8.9
69.70198	1.1
69.70619	2.4
70.06570	2.0
71.01336	0.5
71.04990	1.0
72.08128	0.6
73.02901	1.3
75.04469	1.1
77.65083	0.5
79.68410	0.4
81.03395	4.7
83.04973	0.6
85.02891	25.2
86.03211	0.5
86.09656	1.1
87.04446	1.3
91.03931	0.9
91.05450	0.8
95.04942	0.8
97.02881	6.9
98.21439	0.8
99.04443	2.1
101.02389	0.6
102.04643	0.9
103.03941	1.8
103.05447	46.8
104.05743	0.5
105.06995	0.9
106.02911	0.5
109.02859	3.9
111.04433	0.5
115.05442	0.7
117.05477	1.6
117.06973	0.4
124.03956	0.4
127.03894	7.9
129.05450	0.9
130.04129	1.3
130.08597	0.7
131.04906	100.0
132.05255	1.7
133.06464	1.3
136.06084	0.4
137.05927	0.4
139.81665	0.4
145.04910	2.9
145.06483	0.5
147.04375	0.5
148.05164	12.6
153.01852	0.4
157.06503	0.9
159.08075	0.9
161.05962	4.6
162.06795	0.6
163.07513	53.6
164.07870	1.0
167.07024	0.5
167.23682	0.4
175.07535	1.2
177.05498	0.6
187.07613	0.4
201.09065	3.1
205.08395	0.7
219.10123	1.4
237.11104	3.3
250.09198	0.6
364.47076	0.6
399.16437	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	399.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01868	11.0
55.05494	3.2
56.57460	1.1
56.96542	1.2
57.03426	7.7
65.03926	2.4
67.05487	3.6
68.99745	1.0
69.03422	6.1
69.07051	2.4
69.75940	1.2
69.95678	1.8
69.96086	5.2
70.06585	11.4
71.01340	5.4
71.04967	2.9
71.08604	1.6
72.08150	2.0
73.02906	8.7
75.04469	2.3
79.05481	51.3
80.05803	1.3
81.03404	5.6
81.07043	10.4
83.04959	2.0
84.08122	2.1
85.02888	19.1
85.06514	1.4
86.09698	7.7
87.00834	1.1
91.05470	24.5
93.07029	28.1
95.01311	3.7
95.04958	4.2
95.08574	2.8
97.02868	6.6
97.06511	1.9
97.10120	1.5
99.00822	1.1
99.04452	2.1
99.08110	1.6
101.05998	1.6
103.03909	1.8
103.05434	8.5
104.05777	2.5
105.04417	1.3
105.07021	23.7
106.04188	1.1
107.04907	4.2
107.08577	92.5
108.04472	1.4
109.02847	2.3
109.06494	3.5
109.10125	2.6
111.04434	1.5
113.02341	7.0
114.09159	6.1
115.05494	1.3
115.09516	1.3
116.06194	1.2
116.07059	1.8
117.05445	2.1
117.06979	6.1
119.08569	10.5
121.02883	1.9
121.06490	2.5
121.10121	19.6
122.10446	1.3
123.11694	3.1
124.03915	2.7
124.12003	2.1
125.02344	2.4
125.09603	2.4
127.08678	1.5
128.06207	2.0
129.05473	11.4
129.06975	4.9
130.06493	2.4
130.08652	1.7
131.03377	3.3
131.04918	5.5
131.07620	2.0
131.08539	22.9
133.06479	1.1
133.10118	8.6
135.07993	1.2
135.11642	1.5
137.05981	2.5
139.03835	1.4
141.01808	11.7
141.06931	1.1
141.12735	2.9
142.13029	2.9
143.08516	3.2
143.10680	2.4
145.04927	1.1
145.06430	2.7
145.10100	7.4
146.96327	1.0
147.04404	1.2
147.06483	1.2
147.08009	3.8
147.11670	4.5
149.09595	100.0
150.09956	1.4
151.07455	1.7
155.08510	3.7
156.08049	1.2
157.06499	1.3
157.10085	4.7
159.02838	1.9
159.07971	8.4
159.09171	1.7
159.11586	1.3
161.09573	4.3
163.11159	2.2
165.06958	1.4
165.09062	1.4
167.07132	1.4
167.08513	1.5
167.10605	1.0
169.10086	2.0
171.06612	2.0
171.07996	2.5
171.11551	1.4
172.08755	2.0
173.09680	7.1
175.11157	1.9
175.14804	1.4
177.02168	3.3
177.05406	1.1
181.10175	1.0
183.08069	1.9
184.07469	1.3
184.14063	1.4
185.09595	4.5
187.07469	1.3
187.11049	1.3
188.07016	1.4
189.09225	1.3
191.10680	1.3
195.03310	2.4
197.09573	3.9
199.11084	2.8
201.09119	3.6
201.16431	1.4
202.15208	2.3
203.10637	2.3
207.08240	1.2
208.07651	1.8
211.07512	2.8
215.05513	2.8
215.10600	2.4
219.17422	3.7
220.16316	1.5
223.13248	4.6
225.09067	3.7
227.10651	5.1
229.08636	3.0
229.15402	1.2
241.03819	1.7
243.10130	2.8
247.09604	2.8
253.08574	1.4
254.08170	3.1
261.11218	2.5
265.10535	3.4
271.09610	6.6
277.14227	1.3
279.12219	2.5
289.10678	2.4
293.08667	1.8
296.09064	1.7
305.08673	3.5
307.11603	3.3
309.02734	1.5
310.03238	1.5
311.22327	1.1
315.05057	1.8
317.13675	1.2
319.15475	3.2
327.12277	1.8
336.16400	1.8
345.13199	1.4
363.14267	2.7
378.43631	1.3
381.15298	6.8
398.70209	2.0
399.16321	22.3
399.20505	1.4
400.16620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	14.5
66.91488	7.9
69.03415	12.1
70.06583	12.1
71.30003	20.9
85.02884	22.0
85.52466	7.1
93.98186	8.0
97.02864	24.4
98.97564	100.0
101.92022	8.2
110.97535	20.8
114.09152	12.0
116.98586	44.2
123.32339	7.7
127.03837	10.5
128.98602	34.5
129.23306	8.2
134.99657	24.1
136.06198	11.8
140.30887	7.9
146.99658	14.0
147.01308	9.4
147.03206	9.2
150.48576	8.7
158.99637	97.9
168.01805	10.0
170.99641	26.6
177.00699	81.3
177.02176	13.5
189.00661	36.9
201.00670	10.9
207.01671	15.1
219.01691	70.9
219.03157	8.1
220.04381	9.0
228.03876	19.1
237.02841	16.6
249.02715	47.3
250.09317	21.3
261.41211	7.6
279.03781	83.1
291.03683	11.5
399.06802	35.2
399.11603	18.4
416.80615	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	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82816	0.2
56.96555	9.0
57.03439	0.3
61.02918	0.3
68.80275	0.3
69.03410	0.8
71.04988	0.3
71.78228	0.3
71.95267	1.7
79.97134	0.3
84.96008	0.4
85.02895	0.7
96.04469	0.3
97.02296	0.5
97.02873	4.6
98.97565	43.8
99.97889	0.7
101.00871	0.3
116.98602	50.9
117.98897	0.3
119.01914	1.4
121.01645	0.5
126.05524	0.3
128.98584	0.9
130.93304	0.5
131.01883	0.3
131.96735	0.3
134.99634	44.9
137.01938	0.3
137.02946	0.8
138.05473	0.3
140.00180	1.8
146.99622	0.6
148.94353	0.3
153.00696	8.6
158.01230	2.2
159.01555	0.3
172.94308	2.0
176.02289	0.5
177.00914	1.8
178.01010	2.0
179.00658	0.4
190.95364	6.2
192.98715	0.5
194.98293	0.3
195.46202	0.3
197.95149	0.5
202.01015	0.8
208.96396	3.5
214.95367	2.0
216.98724	0.3
219.01906	2.0
220.02084	2.9
220.99789	0.3
221.01746	0.6
224.97293	0.5
232.96429	8.5
233.29485	0.3
234.99811	0.5
241.94217	0.3
244.02290	0.3
246.03671	0.6
248.01692	1.1
248.99567	0.4
250.97501	5.8
251.97809	0.3
255.01860	0.3
255.98065	0.4
256.96384	12.7
257.96841	0.4
258.94299	0.5
258.99738	3.2
259.99966	0.3
261.00067	0.4
261.03009	1.8
262.03204	1.4
263.02817	0.8
263.97473	0.3
266.02985	0.3
269.98087	0.3
272.01450	0.4
272.94608	0.4
273.02701	0.3
273.99222	0.5
274.97461	100.0
275.97867	1.6
276.00449	0.3
276.97925	0.5
277.00781	5.9
278.01053	0.8
279.00751	0.5
282.99872	1.9
288.00769	0.3
288.92096	0.4
289.02625	0.3
290.02682	0.8
290.95419	0.4
292.00360	0.4
292.98517	68.3
293.99057	0.9
294.98996	0.4
297.99069	6.9
298.99603	0.3
301.00992	3.1
302.01154	0.8
303.00922	0.6
308.03784	0.5
310.99796	0.4
314.95493	0.3
316.00232	4.8
316.98746	1.5
318.98578	0.5
328.89926	0.3
329.52951	0.5
333.24725	0.7
333.96844	0.5
334.01590	0.6
355.98163	0.3
362.95859	0.3
364.95386	0.3
372.97519	0.4
374.98596	0.5
375.26123	0.5
380.96808	1.1
394.03683	0.4
398.98004	6.2
399.97891	0.6
416.98898	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	398.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
56.96545	0.7
57.07065	5.6
67.05498	2.7
68.05019	1.7
69.07054	1.2
69.57983	3.1
69.73562	0.3
70.06577	2.8
71.08621	4.0
79.05486	2.2
80.04997	0.7
81.03407	0.5
81.05775	2.9
81.07043	2.6
83.04991	1.6
83.08602	1.1
84.08141	2.1
85.02860	0.3
85.10176	1.6
88.03964	0.9
91.03925	0.4
91.05451	0.6
91.81579	0.3
93.06443	0.3
93.07027	1.2
94.06558	2.6
95.02870	0.3
95.04976	0.5
95.08591	3.7
96.08118	19.0
97.06477	0.4
97.10165	0.4
105.07005	0.6
107.08565	0.9
109.10132	1.3
111.04357	0.3
114.09151	100.0
115.09479	2.2
119.08547	0.7
121.10091	0.5
123.11680	0.5
128.07042	0.5
133.10115	0.3
136.84396	0.3
142.08618	7.3
143.08629	0.3
158.08112	0.6
159.11688	0.6
160.09665	92.8
161.10010	2.5
267.09109	0.8
285.09930	0.5
317.17853	0.5
352.32010	7.3
353.32297	0.4
373.19586	0.4
398.32590	83.3
399.32938	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	398.2683
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03938	0.7
55.01841	0.4
55.05501	2.5
56.05004	0.5
57.07050	1.2
59.04979	0.5
67.05489	2.4
68.05022	2.7
69.03413	1.0
69.07052	2.3
70.06583	12.2
71.04969	0.8
79.05481	5.2
80.04996	0.6
81.03415	0.8
81.07039	5.0
81.21140	0.4
82.06545	0.4
83.04962	0.6
83.08606	1.4
84.08128	0.6
85.06507	0.6
91.05473	5.3
93.07030	8.6
94.06540	2.3
95.04961	2.4
95.08607	4.6
96.08111	2.9
97.02895	0.7
97.06513	1.3
98.06039	0.6
100.07597	4.7
103.05460	0.5
105.07018	10.6
106.06549	0.7
107.07364	0.6
107.08571	7.0
108.08076	1.3
108.08838	0.5
109.02869	0.9
109.06470	0.9
109.10133	2.9
111.08096	0.6
114.05515	4.4
115.05437	0.9
116.07079	5.6
117.06995	2.9
118.06571	0.4
119.08567	14.8
120.08089	4.0
120.08862	0.8
121.06488	0.6
121.10140	3.4
122.09682	2.3
123.11642	0.6
127.03905	1.3
128.06175	0.6
128.07050	5.8
129.06985	1.5
130.07759	1.1
131.08549	7.4
132.08083	0.6
133.08986	0.9
133.10101	6.7
134.09605	1.4
135.08025	1.5
135.11662	1.4
135.22867	0.5
136.11177	1.3
137.05923	0.6
140.07022	0.6
141.06995	0.7
142.07732	1.3
142.08672	1.0
143.08540	5.0
144.09302	0.7
145.10117	8.0
146.09593	1.0
147.07962	0.5
147.11673	2.3
148.11176	6.1
149.09578	0.9
149.11995	0.5
149.13206	0.8
150.12759	0.6
151.06300	0.9
152.06918	0.5
152.92319	0.5
153.06998	0.5
154.08601	1.5
155.08490	1.7
156.09311	1.1
157.10110	5.0
158.10823	0.7
159.11693	3.8
160.11174	1.5
161.09593	0.7
161.13245	1.2
162.12721	0.9
163.11237	0.6
163.14749	0.6
164.07059	0.8
166.08646	1.2
167.08501	0.8
168.10208	17.6
169.10187	2.0
170.10852	0.6
171.11652	2.9
172.11232	0.7
172.81773	0.4
173.13226	4.9
174.12660	0.5
175.14764	2.3
178.08612	5.4
179.08521	0.7
181.10101	1.3
183.11694	3.0
185.13319	2.0
186.12616	0.8
187.14778	1.1
192.10162	2.5
194.11778	11.1
195.11751	2.1
197.13240	2.1
199.14748	1.4
201.16342	0.5
206.11763	0.8
207.11818	0.6
208.13268	0.5
209.13232	2.5
211.14856	0.8
220.13162	0.4
223.14754	1.0
229.45261	0.5
230.11691	0.8
232.13266	0.6
234.14893	1.4
235.14821	0.8
253.15819	1.0
257.18994	0.7
258.14780	0.7
260.16385	2.5
265.19492	1.1
267.21021	0.5
273.03870	0.9
299.05243	0.9
301.03314	1.4
303.04767	0.4
306.20572	2.6
313.03522	2.4
323.96359	0.5
355.08087	1.5
380.25748	5.5
398.26852	100.0
399.10669	10.5
399.15594	0.5
399.27161	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	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64355	1.1
57.03425	7.1
57.07067	9.8
59.46351	1.2
61.80203	1.1
69.03403	4.2
69.07053	1.7
70.81374	1.7
70.81709	2.7
71.01325	1.5
73.02905	2.9
75.04457	2.6
81.03394	3.3
85.02890	12.1
85.10163	38.1
86.10494	1.8
89.06013	4.0
93.07017	1.2
95.01306	7.3
95.08590	6.0
97.02863	6.1
97.06512	3.2
99.04432	2.8
101.02353	9.4
107.08526	1.5
109.02866	5.3
113.02361	4.1
113.09624	59.1
119.03403	26.6
127.03896	6.8
131.03322	2.9
131.10643	6.5
133.10172	1.2
137.05931	1.7
141.01794	14.6
145.04962	2.3
159.02867	3.1
178.08684	1.2
187.13266	100.0
188.13586	1.5
201.09045	1.8
205.14322	50.9
206.14708	1.6
231.10176	2.2
245.06519	1.9
277.10706	2.8
345.15411	1.6
363.16290	1.7
381.09863	1.5
386.25928	1.1
399.10468	3.5
399.19495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	13.8
57.07063	20.4
65.03915	2.2
67.05492	29.6
69.07059	32.0
70.09487	8.8
70.09897	5.6
70.24676	2.3
71.08619	16.7
79.05486	14.2
81.07039	52.6
83.08597	16.0
85.10162	11.1
91.05451	19.6
93.07041	29.5
95.08588	49.3
97.10144	10.6
105.07022	30.7
107.08583	19.3
107.56071	2.2
109.10128	40.2
111.11689	6.5
119.08558	23.5
121.10146	18.2
123.11684	18.0
125.13260	2.4
131.08553	5.4
133.10115	19.2
135.11679	28.2
137.13211	4.2
145.10077	6.6
147.11652	51.0
149.02332	2.7
149.13216	14.4
151.14778	4.7
159.11684	4.9
161.13223	45.4
163.14812	5.7
173.13196	5.1
175.14798	21.7
177.16389	2.7
189.16373	9.7
194.23712	2.0
201.16341	4.4
203.17940	8.6
215.17989	8.6
217.19502	2.9
229.19514	4.0
233.22430	2.4
243.21082	5.3
257.22617	6.2
261.25775	3.9
262.34454	2.4
275.27069	2.8
287.27350	3.6
299.27032	2.3
315.30450	2.8
350.94623	2.2
397.38242	100.0
398.38687	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	397.3097
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03920	1.7
55.05502	9.9
57.03423	1.7
57.07057	4.3
67.05496	19.1
69.07059	13.6
71.04957	2.1
71.79280	1.3
79.05474	12.4
81.07044	36.0
83.04958	1.8
83.08606	7.9
85.06494	1.6
91.05466	13.8
93.07028	28.0
95.04939	4.2
95.08591	40.9
97.06516	1.8
97.10133	5.1
99.08056	1.1
105.07009	42.8
106.91152	1.3
107.08576	37.4
108.08883	1.3
109.06505	1.6
109.10139	29.6
110.41068	1.0
111.08072	1.4
117.07001	3.4
119.08560	46.8
120.08907	1.7
121.06496	2.1
121.10125	43.8
122.10486	1.6
123.04404	1.3
123.08083	1.4
123.11682	12.2
123.84892	1.0
129.06955	3.0
130.68977	1.0
131.08539	9.9
133.10107	41.6
135.08072	1.4
135.11674	25.7
137.13242	5.7
143.08521	3.5
145.10081	12.3
147.11661	67.3
148.12022	1.7
149.09572	3.1
149.13243	16.4
151.07466	2.0
155.08516	1.6
157.10083	4.7
159.11665	13.6
161.13235	100.0
162.13605	2.1
163.11209	1.4
163.14807	18.6
165.09084	1.2
165.12711	2.7
171.11673	8.0
173.11778	1.8
173.13216	9.3
175.07474	1.3
175.11156	3.0
175.14830	9.0
177.12737	2.2
177.16357	12.1
179.14296	5.6
181.12137	1.7
183.11629	2.0
185.13280	3.8
187.13406	1.3
187.14824	9.1
189.12685	4.5
189.16385	15.4
191.14336	1.9
191.17920	45.7
193.12117	5.6
199.14755	5.6
201.16351	5.6
203.10834	1.6
203.17902	23.5
205.12146	1.9
205.15816	1.2
205.19514	8.0
207.13780	15.9
209.13210	1.6
213.16348	2.7
215.17873	2.1
217.12196	4.4
217.16000	1.3
217.19499	16.5
219.13727	2.6
225.16420	2.4
227.17897	2.5
229.19511	1.7
231.13643	1.5
231.21054	1.9
233.15395	1.5
235.16920	1.2
241.19479	1.4
245.15388	1.4
253.19366	1.1
267.08899	1.5
273.18457	2.3
285.10074	3.3
305.81720	1.2
351.26691	3.5
351.30402	6.2
379.29895	3.3
397.26627	6.1
397.30920	34.6
397.34824	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	397.2731
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.03925	0.4
55.05504	1.8
56.96562	0.2
57.03414	0.5
57.07059	1.0
67.05497	3.3
69.03420	0.6
69.07062	2.5
69.62860	0.2
70.02972	1.2
71.04990	0.3
79.05486	3.2
81.06599	0.5
81.07043	6.3
83.04955	0.3
83.08611	1.4
85.06505	0.3
88.07598	0.4
91.04917	0.3
91.05465	3.4
93.07027	6.7
95.04920	0.6
95.08598	5.5
97.06531	0.4
97.10145	0.6
105.06314	0.5
105.07014	7.2
107.04962	0.3
107.08578	8.9
109.02798	0.3
109.06483	1.2
109.10139	3.7
111.08035	0.4
117.06998	1.8
119.08575	6.8
121.06488	0.7
121.10133	5.8
123.08070	0.7
123.11697	1.9
125.09599	0.3
127.11170	0.6
129.06987	0.9
130.07765	0.7
131.08556	4.4
133.10110	5.5
135.08043	0.8
135.11670	3.3
137.09587	0.3
137.13219	1.1
142.07666	0.4
143.08542	1.6
144.09276	0.4
145.10104	9.0
146.10521	0.3
146.74571	0.3
147.08067	0.7
147.11673	4.6
149.09604	2.3
149.13222	3.8
151.11098	0.8
151.14833	0.4
155.08517	0.6
156.09468	0.3
157.10141	1.9
159.11673	4.3
161.09605	2.3
161.13263	2.3
163.11160	2.2
163.14807	1.9
169.10089	0.8
171.11656	1.7
173.13263	2.5
175.11195	2.1
175.14754	3.0
177.12706	0.9
177.16354	1.1
181.10051	0.3
183.11691	0.7
185.13243	1.3
187.11171	0.5
187.14792	3.3
189.16316	1.5
195.11617	0.3
197.13242	0.6
199.11351	0.3
199.14789	1.6
201.12701	0.3
201.16371	3.5
203.17928	0.7
205.12163	0.3
207.00999	0.3
211.14861	0.7
213.16330	1.3
215.17973	0.5
217.19470	0.5
223.14825	0.5
225.16302	0.6
227.17807	0.6
229.15758	0.4
229.19518	0.5
231.17445	0.3
233.15437	0.3
237.16263	0.4
239.17909	0.7
240.77109	0.3
255.21074	0.3
257.19040	0.3
260.53580	0.3
265.19556	0.3
267.21082	0.3
281.22656	0.7
295.24115	0.4
327.23239	0.4
333.25687	0.7
351.26666	0.8
351.30463	1.1
379.26123	0.6
397.27286	100.0
398.27621	8.2
398.36215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.17
Annotation	Mirabegron
Peak:m/z	Relative Intensity
53.03913	1.8
55.01855	3.0
55.05503	32.9
57.03431	4.5
67.05488	3.3
69.03398	2.2
69.07056	15.5
70.06580	4.2
71.28143	1.0
71.28481	2.2
73.02897	1.9
75.04452	1.2
79.05459	0.9
81.03393	2.7
81.07018	1.9
83.08607	100.0
84.04488	0.9
84.08149	1.9
84.08920	1.4
85.02897	7.6
85.06525	1.5
86.09700	1.6
90.05545	1.6
91.05444	1.3
93.05504	1.3
93.07033	2.4
95.01318	3.7
97.02885	1.8
103.03934	4.0
105.56887	1.1
106.02930	1.8
108.04462	1.1
109.02814	0.9
110.07159	1.7
111.08067	44.2
113.02373	2.0
116.07053	1.3
124.03937	3.0
126.65595	1.2
127.03950	1.2
129.09099	90.1
130.08600	3.3
130.09448	1.5
135.04410	1.5
136.07492	1.2
138.05498	1.4
141.01839	7.6
141.04066	1.0
161.05983	1.2
163.03868	1.6
174.06630	1.9
185.11713	6.3
188.07013	3.3
192.07677	2.5
200.04556	1.7
201.11172	1.0
203.12749	76.0
204.13048	2.5
217.07106	1.3
218.05659	1.2
221.05588	1.5
235.08232	2.8
236.09128	2.9
252.97771	1.5
279.08725	1.8
295.25238	1.0
361.14511	1.6
379.15948	1.3
380.11133	1.5
397.16180	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	397.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.8
55.01855	3.0
55.05503	32.9
57.03431	4.5
67.05488	3.3
69.03398	2.2
69.07056	15.5
70.06580	4.2
71.28143	1.0
71.28481	2.2
73.02897	1.9
75.04452	1.2
79.05459	0.9
81.03393	2.7
81.07018	1.9
83.08607	100.0
84.04488	0.9
84.08149	1.9
84.08920	1.4
85.02897	7.6
85.06525	1.5
86.09700	1.6
90.05545	1.6
91.05444	1.3
93.05504	1.3
93.07033	2.4
95.01318	3.7
97.02885	1.8
103.03934	4.0
105.56887	1.1
106.02930	1.8
108.04462	1.1
109.02814	0.9
110.07159	1.7
111.08067	44.2
113.02373	2.0
116.07053	1.3
124.03937	3.0
126.65595	1.2
127.03950	1.2
129.09099	90.1
130.08600	3.3
130.09448	1.5
135.04410	1.5
136.07492	1.2
138.05498	1.4
141.01839	7.6
141.04066	1.0
161.05983	1.2
163.03868	1.6
174.06630	1.9
185.11713	6.3
188.07013	3.3
192.07677	2.5
200.04556	1.7
201.11172	1.0
203.12749	76.0
204.13048	2.5
217.07106	1.3
218.05659	1.2
221.05588	1.5
235.08232	2.8
236.09128	2.9
252.97771	1.5
279.08725	1.8
295.25238	1.0
361.14511	1.6
379.15948	1.3
380.11133	1.5
397.16180	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	397.1641
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.03920	2.2
55.01858	1.7
58.48263	1.2
59.16631	0.8
65.03942	1.1
67.05480	1.0
69.03418	2.2
69.07058	1.0
70.06571	3.1
71.03867	1.3
71.04199	2.4
71.04946	1.1
72.08154	2.1
79.05481	2.9
81.03397	2.6
81.07027	3.0
83.04935	1.3
85.02885	2.5
85.06551	1.1
86.09706	1.3
89.03861	1.1
91.05473	12.7
91.57970	1.1
93.07018	2.7
94.04144	2.0
95.04942	2.2
97.02872	2.8
97.06506	1.5
103.05451	5.0
105.07012	2.2
107.04931	3.9
107.08570	2.2
109.02851	4.8
109.06477	2.6
109.10059	1.3
114.12849	1.2
115.05444	2.2
117.06996	1.4
119.04917	6.4
119.08572	1.7
120.08061	1.3
121.06455	3.1
121.10169	1.2
122.03639	3.5
122.06003	3.3
123.04466	1.3
124.21541	1.0
127.03888	2.5
128.06177	2.0
128.98709	1.1
129.07004	7.1
131.04872	2.9
131.08519	4.4
133.10100	1.9
134.03561	1.1
134.06644	0.8
135.08023	1.6
137.05957	78.2
137.93053	1.1
140.07060	2.6
141.06943	3.7
142.07782	2.5
143.08540	3.4
144.05687	2.6
145.06448	3.0
147.04378	2.4
147.11697	1.0
148.06461	1.0
149.05960	5.4
150.06573	1.1
151.07538	10.7
152.06320	1.4
153.06964	1.9
154.07715	1.7
155.08504	4.5
157.06509	2.7
157.10011	2.2
158.07233	2.5
159.07991	4.4
160.05270	1.1
161.05940	12.1
161.09596	3.7
163.07576	1.9
165.06985	2.5
167.07085	2.2
167.08479	1.5
169.06480	2.9
170.07124	2.2
171.08023	3.5
172.08812	2.1
173.05920	1.6
173.09552	2.8
174.06776	2.0
175.07547	4.7
181.06459	1.4
182.07246	5.5
183.08029	2.8
184.05157	1.6
184.08800	2.8
185.06070	1.6
185.09589	7.8
186.06721	1.9
187.07550	8.6
187.11078	2.1
189.09030	2.9
189.12666	2.2
191.07010	6.3
194.07353	2.1
195.08040	3.2
197.05968	2.3
197.09587	7.2
198.06746	13.0
199.07487	8.8
199.11092	1.9
200.08179	2.3
201.09085	3.9
202.07813	1.2
203.08539	1.3
205.08566	1.2
210.06773	3.6
211.07518	4.7
212.08232	4.2
213.09084	19.0
215.08780	1.4
215.10634	4.4
217.08557	3.1
217.10336	1.5
217.12018	2.2
217.15872	1.3
224.08214	1.3
225.09055	13.6
227.10693	1.7
229.08310	1.3
229.10234	1.4
231.08017	2.5
231.10074	1.3
232.08687	1.4
233.09549	2.8
235.16905	1.3
238.70406	1.1
242.09277	1.6
243.07944	2.4
243.10133	17.6
245.09503	2.5
245.11737	2.2
246.10376	2.3
247.07484	2.6
248.08411	1.1
251.11035	1.1
255.10112	6.7
257.09592	2.0
258.10391	1.2
259.11105	1.8
260.08325	2.3
261.08978	3.2
262.09979	2.7
263.10648	1.2
264.07849	2.6
265.08539	2.8
271.07642	1.4
272.08130	1.3
273.11227	56.0
274.11880	1.6
275.10571	2.6
276.07785	2.6
277.08621	3.2
277.12317	1.6
278.09497	1.5
285.09082	2.3
286.09879	1.8
287.07077	1.4
287.10492	2.3
288.07849	2.0
289.08682	3.3
289.12061	2.5
290.09351	1.8
291.10004	7.1
292.07272	3.5
292.10507	2.1
293.08075	2.1
293.11676	3.0
301.08643	2.6
302.09409	1.2
303.10190	4.8
305.08240	1.6
305.11716	3.7
307.09616	10.7
308.10281	5.0
309.11111	1.6
317.11755	4.0
318.12247	2.0
319.09521	3.3
319.13013	2.4
320.10217	2.5
321.11139	6.7
323.12866	2.0
325.10577	2.1
331.09512	2.1
333.11209	4.7
334.11835	1.7
335.12640	6.6
336.13449	3.5
337.14337	1.9
339.12213	3.5
347.13019	1.7
349.14297	6.4
351.12256	10.9
352.12704	2.0
353.13925	4.0
354.14584	19.2
355.15042	2.0
361.14044	1.7
365.13675	2.1
367.15356	4.6
379.15341	14.3
397.16409	100.0
398.16910	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	397.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01852	3.3
55.05498	2.2
57.03421	4.4
57.84207	1.4
61.02903	4.5
67.05495	1.5
68.99771	6.4
69.03426	32.1
69.07061	1.5
70.06580	4.7
71.01352	2.7
71.04984	5.7
71.25542	3.5
72.08132	2.6
73.02911	3.2
79.01802	1.2
79.05075	2.3
79.05487	27.3
81.02932	2.4
81.03410	34.5
81.07040	2.5
83.04949	2.2
84.08134	2.9
85.02898	26.3
85.06528	1.5
86.09698	3.6
87.00818	23.4
91.05452	8.0
93.07029	3.8
95.04948	3.0
95.08588	3.2
97.02229	2.6
97.02879	55.3
97.06506	2.0
99.04452	15.6
103.05459	100.0
104.05741	1.8
105.07032	6.4
107.04945	50.2
107.08575	1.7
109.02868	72.4
110.07156	2.1
111.04305	1.7
115.05479	2.3
119.08563	3.4
120.08154	1.3
121.06493	42.2
125.09557	1.9
127.03902	60.3
129.01807	3.7
129.06995	3.4
129.10204	1.6
131.04912	61.2
131.08597	1.4
133.06471	2.0
137.05939	8.3
145.02876	1.5
145.04965	6.0
145.06326	1.4
147.04379	3.0
147.11671	1.7
149.05971	30.0
159.08051	2.1
163.03914	2.0
167.07002	2.3
175.07523	2.3
175.11116	1.4
177.05405	3.0
179.07005	1.8
187.07661	1.4
191.06937	2.8
207.06531	10.8
211.07599	2.2
213.03903	16.1
213.09122	1.6
214.25778	1.5
215.07140	1.8
217.12195	2.1
219.06473	5.8
229.08527	7.5
231.04967	7.7
232.93852	1.4
235.06023	4.7
257.07993	1.7
273.11127	3.3
279.08539	5.0
311.31827	1.4
353.14395	1.5
379.10104	2.8
379.14978	1.7
397.16397	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	397.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01852	3.3
55.05498	2.2
57.03421	4.4
57.84207	1.4
61.02903	4.5
67.05495	1.5
68.99771	6.4
69.03426	32.1
69.07061	1.5
70.06580	4.7
71.01352	2.7
71.04984	5.7
71.25542	3.5
72.08132	2.6
73.02911	3.2
79.01802	1.2
79.05075	2.3
79.05487	27.3
81.02932	2.4
81.03410	34.5
81.07040	2.5
83.04949	2.2
84.08134	2.9
85.02898	26.3
85.06528	1.5
86.09698	3.6
87.00818	23.4
91.05452	8.0
93.07029	3.8
95.04948	3.0
95.08588	3.2
97.02229	2.6
97.02879	55.3
97.06506	2.0
99.04452	15.6
103.05459	100.0
104.05741	1.8
105.07032	6.4
107.04945	50.2
107.08575	1.7
109.02868	72.4
110.07156	2.1
111.04305	1.7
115.05479	2.3
119.08563	3.4
120.08154	1.3
121.06493	42.2
125.09557	1.9
127.03902	60.3
129.01807	3.7
129.06995	3.4
129.10204	1.6
131.04912	61.2
131.08597	1.4
133.06471	2.0
137.05939	8.3
145.02876	1.5
145.04965	6.0
145.06326	1.4
147.04379	3.0
147.11671	1.7
149.05971	30.0
159.08051	2.1
163.03914	2.0
167.07002	2.3
175.07523	2.3
175.11116	1.4
177.05405	3.0
179.07005	1.8
187.07661	1.4
191.06937	2.8
207.06531	10.8
211.07599	2.2
213.03903	16.1
213.09122	1.6
214.25778	1.5
215.07140	1.8
217.12195	2.1
219.06473	5.8
229.08527	7.5
231.04967	7.7
232.93852	1.4
235.06023	4.7
257.07993	1.7
273.11127	3.3
279.08539	5.0
311.31827	1.4
353.14395	1.5
379.10104	2.8
379.14978	1.7
397.16397	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	396.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05504	8.9
56.74768	1.1
57.07060	12.4
57.75257	1.0
59.04987	2.7
67.05490	1.7
69.03403	1.8
69.07056	63.0
70.99191	2.5
70.99563	2.1
71.04996	6.3
71.05312	0.9
71.08618	11.8
71.41953	1.2
73.06542	13.3
76.58349	1.1
81.03400	1.1
81.07047	1.9
83.08605	2.9
85.02883	9.0
85.10182	5.4
89.06015	33.6
93.07010	1.4
97.02861	1.9
99.11706	1.2
101.02393	1.1
107.08563	1.3
111.11700	93.5
119.03436	1.4
119.20453	1.3
121.06422	1.3
122.75187	1.1
127.03913	2.1
129.12733	100.0
130.13049	2.3
137.05862	1.3
145.04907	2.2
199.16904	18.8
217.17926	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	396.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33548	1.4
53.03941	4.1
55.01865	11.3
55.05504	1.9
57.07063	6.0
59.04983	3.1
67.05486	4.9
69.03421	13.7
69.07060	8.0
70.02935	5.5
70.06593	2.4
71.04991	3.3
71.47858	2.6
72.04508	24.1
73.02901	13.6
74.02428	1.8
78.09651	1.4
78.88769	1.2
81.03396	16.6
83.04965	6.8
84.04500	2.5
85.02891	10.7
85.06529	7.7
86.09698	4.6
87.08092	2.1
90.05540	39.6
95.04946	7.3
96.08067	1.9
97.02879	12.2
98.02411	17.5
99.04433	4.4
100.03969	7.1
103.07565	3.2
109.02865	28.5
111.07987	1.6
113.05992	4.7
116.03446	18.8
124.07579	22.7
127.03896	21.2
130.08717	1.5
131.07060	2.3
132.06512	9.7
138.05505	2.4
142.08630	19.3
144.06482	1.6
145.04942	8.1
156.10185	2.2
160.09645	6.6
163.03889	2.1
166.08598	5.5
169.04962	1.8
172.09685	4.6
172.19510	1.3
174.11259	6.5
181.05028	1.7
184.09674	33.0
187.05992	2.6
192.07578	8.4
198.07613	5.0
199.05995	8.3
202.10721	100.0
203.11340	4.1
211.09692	11.8
214.58832	1.3
216.08684	8.1
217.07037	4.4
218.05608	5.9
220.11780	29.2
230.10214	12.2
234.09705	11.4
235.08238	8.7
244.11772	2.9
262.12857	18.0
266.12155	2.1
310.12729	9.8
328.13852	70.7
329.14249	2.1
346.14960	11.2
364.11807	2.0
364.15991	27.0
396.18497	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	396.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99876	1.8
53.03932	5.2
55.01868	14.0
55.05490	6.2
55.93542	1.6
57.03431	5.2
57.07056	6.8
57.69382	1.5
59.04987	3.2
61.02913	1.9
66.57668	1.7
67.05502	9.6
68.06298	2.0
69.03420	18.4
69.07052	6.7
70.02940	6.1
70.06601	8.9
71.04980	3.0
71.78374	2.4
72.04504	27.4
72.08145	4.0
72.93760	2.6
73.02916	12.8
74.02414	1.9
74.06086	3.5
79.05486	2.9
81.03400	24.6
81.07052	5.4
82.06576	2.0
83.04980	5.9
83.08620	7.8
84.04034	1.7
84.04501	4.4
84.08124	4.0
85.02894	21.0
85.06529	8.7
86.09693	8.0
87.08089	2.0
90.05543	50.8
91.05464	4.1
93.07028	1.9
95.04949	8.2
96.08101	2.2
97.02882	18.5
97.06509	3.6
98.02390	16.7
99.04453	8.7
99.08046	2.4
100.03951	6.8
100.07557	1.9
103.03899	2.6
103.05387	1.8
103.07571	4.3
106.02861	1.8
107.04962	2.5
108.04449	1.6
109.02854	29.6
109.06490	5.8
110.06066	2.1
110.07185	2.2
111.04436	2.3
111.08043	2.8
113.05984	6.3
114.09145	2.8
116.03433	24.9
116.07088	2.4
116.19271	1.7
118.27597	1.7
119.04928	2.5
120.08096	6.3
123.04385	1.8
124.03928	3.0
124.07571	19.8
125.02454	2.2
127.03910	27.7
128.03325	1.8
129.01730	1.8
129.09088	2.7
130.08578	9.5
131.06970	2.7
132.06555	9.5
132.10161	2.3
135.08022	1.6
136.07585	4.3
136.27499	1.7
137.06004	2.0
138.05460	4.4
138.09135	3.3
140.07079	2.9
142.08630	15.6
145.02773	1.8
145.04932	12.2
146.06171	1.6
147.04379	8.2
156.10240	2.9
160.09695	6.1
161.05821	1.7
163.03934	5.5
163.07501	2.7
164.07103	1.6
166.08638	4.1
167.07062	2.0
172.09711	3.9
174.06635	2.5
174.11249	5.9
181.04858	3.9
181.08524	2.5
183.76799	1.7
184.09682	35.3
187.06027	4.7
191.06987	1.7
192.07664	9.5
198.07597	6.7
198.11267	7.3
199.06006	10.2
199.09686	3.4
202.10718	100.0
203.12958	2.6
205.07043	2.7
211.09634	7.1
216.08673	10.1
216.12279	12.7
217.07053	9.8
218.05553	6.4
220.11800	22.1
230.10216	7.2
234.07622	4.2
234.09656	17.6
234.13364	7.0
235.06133	2.7
235.08167	10.5
244.11824	3.5
252.10875	1.7
252.97888	2.1
253.00290	3.3
262.12827	17.6
268.08054	1.9
271.01419	3.5
276.14426	5.0
279.08636	2.8
280.99683	2.8
310.12762	9.4
324.14523	2.0
328.13882	61.1
329.14252	2.7
342.15271	7.6
346.14822	10.2
356.04221	1.8
360.16235	3.7
364.16010	25.9
373.04553	8.6
374.05121	3.1
378.17432	9.6
396.18866	3.5
406.44452	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	395.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36037	1.4
55.05274	2.0
55.05502	12.8
55.25880	1.5
55.50990	1.6
57.07065	7.2
60.43731	1.6
67.05492	22.0
69.03424	2.0
69.07057	28.3
70.38744	1.8
70.39075	8.3
79.05489	17.4
80.53884	1.6
80.87926	1.5
81.07042	62.7
83.08605	13.0
85.06538	12.5
91.05465	21.4
93.07030	43.1
94.07387	1.7
95.04962	4.0
95.08591	100.0
96.08943	2.2
97.10161	6.2
105.07016	37.8
105.07706	2.6
107.08575	55.3
109.06490	2.3
109.10136	48.5
109.10859	3.0
111.11696	2.7
117.07013	4.9
119.08555	34.5
119.09367	1.9
121.10126	60.4
123.11696	24.8
128.06216	1.6
129.07047	5.6
131.08551	26.2
133.10109	33.4
135.11673	53.1
137.13225	30.6
142.07727	2.2
143.08557	11.9
145.10103	33.8
147.11662	38.0
149.09608	2.3
149.13229	45.9
149.14418	2.3
151.14835	3.5
155.08546	3.2
157.10072	11.5
159.11694	26.7
161.07982	1.8
161.13220	25.4
163.11206	4.5
163.14795	20.6
169.10181	3.4
171.11624	13.3
173.09666	3.1
173.13246	17.2
175.11179	4.5
175.14787	9.1
177.12712	15.3
177.16328	8.3
179.14351	1.7
179.17978	2.0
183.11711	7.4
185.13206	20.6
187.14795	27.6
189.12776	6.4
189.16359	13.9
191.14308	13.7
191.17920	49.0
197.13339	5.0
199.14780	9.4
200.95424	1.6
201.16348	8.5
203.14276	28.1
203.17886	17.1
205.15881	18.0
205.19490	58.8
211.14798	2.2
213.16435	3.2
215.14326	6.4
215.18024	5.6
217.15965	5.0
217.19452	15.8
219.21156	3.7
225.16394	4.2
227.18008	7.7
229.15771	1.8
229.19521	3.8
231.17325	2.1
239.17952	5.2
241.19499	4.1
243.17509	5.5
245.19054	5.5
255.21136	4.8
257.19031	6.1
271.20734	3.5
271.24069	2.0
293.23193	1.5
307.24252	1.9
335.27457	2.5
354.14102	1.9
377.27808	2.8
377.32065	21.4
395.29535	4.8
395.33203	68.9
396.33640	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	395.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01872	1.7
55.05506	6.1
57.03425	11.6
57.07070	2.1
59.05014	1.1
60.36905	0.8
61.02920	2.7
67.05499	6.7
69.03419	12.4
69.07058	5.7
71.01347	2.3
71.04978	29.8
71.79259	1.3
73.02889	4.5
75.04465	10.0
75.08173	0.8
79.05490	4.2
81.03418	8.8
81.07040	11.5
83.04958	9.6
83.08628	2.7
85.02890	100.0
85.06556	1.7
87.00810	6.9
87.04453	2.7
91.05474	6.1
93.07029	10.4
93.07487	0.9
95.04964	2.4
95.08583	17.2
97.02877	14.9
97.06496	1.4
97.10185	2.2
99.04450	4.5
100.28859	0.9
101.06039	1.1
103.03895	1.3
105.01853	8.4
105.06995	10.0
105.07586	0.9
107.08574	15.7
109.02846	5.0
109.10145	8.1
111.04385	5.6
117.07024	2.7
119.08559	13.7
121.10131	9.8
123.11703	4.8
127.03894	18.2
129.05446	21.0
129.06999	2.1
131.08531	8.4
133.10109	8.4
135.04466	0.9
135.08057	0.9
135.11652	4.3
137.09648	1.0
137.13235	1.7
143.08585	3.9
144.09297	1.1
145.04927	14.3
145.05878	1.0
145.10104	12.5
147.06505	7.2
147.11659	5.8
149.09662	1.1
149.13240	2.4
157.10112	5.2
158.10985	1.2
159.11658	8.2
161.13205	7.5
163.14809	2.4
169.10170	1.2
171.06564	1.0
171.11720	5.2
172.12520	1.6
173.13252	11.1
175.14740	5.1
177.16373	2.3
179.14362	1.2
183.11641	1.4
185.13283	5.5
187.14787	25.8
189.16434	2.8
197.13310	1.5
199.14781	4.3
201.16463	3.2
203.17986	1.3
205.12234	0.9
209.13335	0.9
211.14920	2.3
213.03862	1.2
213.16396	2.9
215.18016	1.4
225.16379	1.3
227.17943	2.0
229.19513	2.2
231.04936	6.3
237.07704	3.3
239.18181	1.4
241.19598	3.5
249.06107	3.0
253.19469	1.4
255.21123	3.3
315.10913	1.5
321.25931	1.2
335.27570	1.1
377.32187	2.6
395.29330	5.2
395.33334	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01859	1.9
55.05501	1.9
56.96555	74.5
57.03419	4.0
61.02906	4.3
61.98250	1.2
62.44983	1.1
64.34806	1.1
65.22737	1.0
69.03416	7.4
69.76486	2.0
69.76902	7.1
70.06577	4.1
70.98106	18.8
71.04951	2.6
71.95244	1.8
72.08134	2.8
73.02897	1.6
74.97601	6.2
75.02694	1.0
81.03395	2.8
81.07043	1.1
84.04487	4.7
84.08131	6.1
84.96004	4.1
85.02439	1.3
85.02893	13.5
86.06036	2.8
86.09683	3.8
87.04442	2.2
88.99145	23.5
91.03994	1.0
91.05482	1.0
91.63601	1.0
92.98627	1.7
94.06525	6.0
95.04934	1.3
96.04474	1.7
97.02875	8.0
98.06040	2.0
98.97565	63.0
99.04445	2.8
100.99132	3.8
101.02384	1.0
102.96965	1.3
103.02445	1.7
103.29321	1.0
104.07081	2.3
107.00194	8.3
107.07307	3.2
108.08121	1.2
109.02869	2.0
110.97539	8.3
112.07590	4.3
112.99134	1.6
114.09149	14.1
115.00659	1.3
115.03917	1.4
115.09494	4.0
116.07007	1.3
116.98606	50.0
117.01830	1.4
119.00148	2.5
119.01900	9.4
119.04941	1.2
120.08095	13.7
121.01678	1.9
121.03468	1.9
124.95558	1.6
125.01231	1.4
127.00629	2.0
127.03861	3.3
128.98587	37.9
129.06941	1.3
130.04932	1.7
130.08621	48.7
131.00121	3.8
131.01880	4.7
131.08948	2.5
132.10181	1.4
133.01653	2.9
133.03419	2.1
134.05983	2.7
134.99635	27.9
136.07532	1.9
137.02939	3.3
137.05946	3.5
140.07050	1.4
140.79059	1.2
142.04988	1.5
142.96524	2.2
143.00165	3.6
143.01900	2.3
144.08072	1.8
144.98041	1.4
145.01688	10.3
145.03438	4.5
145.04926	2.8
146.09602	1.4
146.99623	81.9
149.01164	3.1
150.98950	1.5
152.05612	1.9
152.98460	1.7
153.00667	2.8
154.96513	2.8
155.01901	1.6
156.08057	1.6
156.98050	2.0
157.01479	1.4
158.09633	3.2
158.99617	16.2
159.04991	2.3
160.09724	4.2
160.97621	1.4
161.01215	11.4
161.02954	4.6
161.04794	2.4
162.99051	3.5
163.02733	15.3
163.04091	1.5
165.00694	100.0
166.07210	9.2
167.06999	1.8
168.03543	3.9
168.99968	2.1
169.03450	2.7
169.38152	1.5
170.01167	2.5
170.08047	1.8
170.99655	7.4
171.01073	1.7
171.04991	1.5
172.09807	2.2
172.97595	19.1
173.01199	3.5
173.02969	4.5
173.04787	3.5
174.09143	2.0
174.55223	9.2
174.99112	15.3
176.99239	1.8
177.00691	22.6
177.04169	3.0
179.02209	4.5
179.06024	1.2
181.00328	1.4
181.03676	1.8
182.03201	1.3
183.01761	15.9
183.55753	5.3
185.01260	2.0
186.04396	3.4
186.99136	9.3
187.00943	1.5
187.02742	7.4
187.04491	6.6
187.12289	12.2
188.02283	4.5
188.97128	5.4
189.00734	15.7
189.02379	2.0
189.04074	2.2
189.13800	3.3
190.98611	66.7
191.02199	5.6
191.04085	2.0
191.05898	5.0
193.00172	22.1
193.01790	2.2
195.01828	1.5
195.99318	1.4
197.01160	1.8
198.07614	2.0
199.00858	3.2
199.02599	1.2
199.04474	2.3
200.02232	1.6
201.00685	3.9
202.98604	1.4
203.03934	3.4
204.05438	3.2
205.00166	72.0
205.03603	8.3
206.98116	4.2
207.01735	17.6
207.03448	1.3
208.04797	1.4
208.99652	18.7
209.03052	1.5
210.99475	1.4
211.01315	2.0
214.00194	3.4
214.95375	1.5
214.98608	5.3
215.05858	5.3
215.11813	19.6
217.00189	3.2
217.03688	1.8
217.05531	1.7
217.53712	1.5
218.98137	17.8
219.01691	19.3
219.05247	1.4
220.99576	3.0
221.05023	1.7
223.01219	79.5
223.55238	4.5
224.01547	2.1
228.01765	3.4
228.05385	1.5
230.03314	1.9
231.01625	2.5
231.03596	2.7
232.99669	50.5
233.03160	7.4
233.06966	2.7
233.11066	2.0
233.12845	51.3
236.99101	7.0
237.02780	32.4
237.04585	0.9
241.02237	4.4
242.99940	2.0
246.02859	3.1
247.01215	87.4
247.04770	5.5
249.02666	1.8
251.00703	43.2
251.04346	6.1
253.56174	7.0
255.03833	5.1
256.01135	2.4
259.01202	1.6
260.99289	1.8
261.02771	3.5
263.00757	3.4
265.02286	28.1
268.56818	3.2
269.01755	2.6
270.97296	1.4
274.02493	1.5
274.56787	3.3
275.00626	55.8
275.03510	1.8
277.02158	8.9
277.05353	1.2
279.00757	1.6
279.03928	3.7
281.01730	1.9
283.57257	2.5
287.02609	1.5
288.03934	4.3
288.98712	2.5
291.00900	1.4
291.03793	5.5
291.60675	1.8
292.13873	3.5
293.01740	33.0
293.05045	2.4
295.03442	1.7
295.07007	2.1
297.06445	1.3
301.06973	1.4
303.00244	7.9
303.02341	3.3
303.05606	2.7
305.01529	6.2
307.03375	1.3
309.04868	10.9
309.08517	4.3
311.02686	1.4
316.03268	4.1
317.05392	2.3
321.01248	6.0
322.09705	2.9
330.08502	4.4
335.02817	2.0
335.06433	7.6
335.10104	13.6
341.13315	1.6
353.07242	2.1
353.11649	7.5
359.06165	2.7
394.20569	3.9
395.12418	7.4
395.17505	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	4.3
55.05503	1.3
56.96556	12.3
57.03432	7.0
57.20760	0.9
59.05008	1.3
60.95847	0.9
61.02914	3.5
65.03963	0.9
69.03424	12.2
70.06577	4.6
71.04984	2.9
71.79209	1.7
72.08160	2.1
73.02904	3.9
73.06565	1.0
74.06064	1.4
79.05491	1.4
80.05055	0.9
81.03423	5.3
81.07046	0.9
83.01339	1.6
83.17004	0.8
84.04498	1.0
84.08134	3.1
84.96019	3.0
85.02895	32.8
86.03230	0.9
86.06078	1.5
87.04455	3.4
91.03923	1.8
91.05477	6.9
93.07013	0.8
94.04181	0.9
94.06580	1.4
94.16926	0.8
95.04974	1.0
96.08125	1.3
97.02883	11.9
98.97570	27.2
99.04448	2.9
101.02369	3.2
103.05509	1.0
105.07063	1.1
107.04957	2.6
109.02853	4.8
110.97601	3.2
111.04424	1.1
112.07575	2.8
113.24113	0.8
114.05510	1.4
114.09155	13.1
115.03893	4.2
116.07101	1.5
116.97816	0.7
116.98610	23.6
119.01912	2.0
119.04929	25.0
120.08068	2.6
121.01777	0.8
121.06491	1.7
122.03663	2.6
123.04439	1.7
127.03897	9.3
128.98596	5.0
129.01892	2.2
130.08630	7.1
131.00189	2.0
131.04956	2.3
132.10216	1.3
133.02858	1.1
134.99631	11.8
135.04381	3.1
136.06245	1.3
137.05962	100.0
138.06351	2.8
140.07072	3.0
143.00169	1.6
143.03406	2.1
145.01709	2.5
145.02821	0.9
145.04967	4.8
146.08188	1.0
146.99661	6.9
147.03319	1.8
147.04385	51.1
148.04787	2.2
149.01190	1.5
149.04631	1.2
149.05910	1.4
151.07588	2.0
153.00708	1.1
155.04668	2.4
156.02040	1.0
157.01350	3.1
158.01216	1.8
158.99660	9.6
160.09702	2.7
161.01224	4.2
161.02930	1.9
161.04698	1.4
163.02716	2.8
163.03908	7.5
164.05171	1.5
165.00769	2.0
165.04308	1.5
165.05544	1.6
166.07230	9.1
167.07042	6.1
170.99707	2.3
171.03142	1.5
173.01193	1.3
174.06831	1.1
175.02672	0.9
177.00699	14.3
177.05501	3.5
179.02438	1.3
179.07019	61.9
180.07378	1.7
181.08633	1.6
186.04420	1.7
186.06682	1.3
186.99159	1.1
189.00745	3.3
189.04025	7.0
191.02319	1.4
191.05756	0.9
195.01642	1.1
197.08083	26.8
201.00693	1.8
204.05440	3.7
205.00241	1.8
207.01740	0.9
207.05164	1.0
209.08174	1.2
214.04851	1.8
215.02245	1.4
215.05833	1.1
215.11823	2.4
217.05435	0.9
219.01704	9.5
223.05428	2.6
227.02220	1.2
227.06793	1.1
232.05925	2.8
233.10329	2.2
233.12907	3.7
237.02777	17.3
237.50435	0.9
243.01654	1.0
243.05212	1.0
246.06531	1.1
247.01244	1.1
253.03770	1.2
257.03265	1.2
272.10150	1.5
276.10086	1.8
280.07080	1.2
280.57321	0.9
284.01868	1.4
290.07370	1.0
291.07489	6.0
293.10754	1.2
294.10950	2.2
295.07532	5.7
295.10284	1.0
295.57678	1.5
299.04166	1.2
304.07910	6.8
304.13763	1.1
304.58176	1.7
305.07828	0.9
309.08597	14.6
310.09021	1.3
312.58835	1.4
313.08640	1.7
317.05228	1.1
323.06680	1.0
325.06155	1.7
335.06354	1.0
335.10165	2.8
349.08102	1.7
351.09595	4.0
353.11273	1.7
371.08319	1.5
376.10019	1.8
393.61716	1.4
394.12070	2.6
394.20850	10.8
394.34897	1.4
395.08066	1.3
395.12451	7.6
395.18002	2.5
415.09247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80923	0.5
53.03933	1.2
55.01856	0.6
55.05490	0.9
57.03422	0.6
67.05479	0.6
69.03410	2.9
69.07054	0.4
70.06572	1.8
71.01328	0.8
71.04971	0.8
71.24845	1.0
71.25214	0.9
72.08126	1.8
73.02898	0.5
75.32472	0.5
78.03433	2.0
80.04996	2.0
81.03406	7.7
84.04458	0.5
84.08102	0.6
85.02892	4.7
86.09691	2.3
87.04432	0.7
93.07005	0.6
95.08591	1.2
96.04460	1.7
97.02859	3.2
97.46291	0.5
98.06638	0.5
98.20801	0.5
98.94073	0.6
99.04430	2.0
105.06926	0.5
106.02898	13.0
107.04917	0.9
109.02848	5.9
111.40424	0.5
112.30857	0.5
120.08107	0.7
124.03927	100.0
125.04247	2.0
127.03889	75.8
128.04202	2.0
130.08643	1.0
135.05370	1.0
135.08003	0.5
136.04694	0.6
136.06200	2.5
137.05890	0.6
140.07112	0.6
145.02800	0.4
145.05005	0.8
153.09122	0.6
161.06918	1.2
162.07721	0.8
163.03932	0.6
164.10741	0.9
166.04953	0.6
171.10155	1.1
174.07700	0.5
179.10641	0.8
185.16400	0.8
192.10152	2.0
197.11641	0.8
204.08818	0.8
214.07162	0.6
226.06961	0.9
231.07489	1.3
232.08243	51.4
233.08585	1.7
250.07069	6.3
268.08102	93.0
269.08453	4.4
273.04053	0.6
274.04150	1.0
276.18048	0.6
380.13171	1.1
394.13922	6.7
394.34418	0.6
395.09500	1.0
409.21732	0.6
419.66794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.0
57.01667	1.7
57.07063	6.5
67.05490	20.7
69.07056	16.3
69.84452	11.1
79.05475	10.9
81.07046	70.8
83.08589	9.2
91.05471	12.0
93.07027	26.3
95.08593	93.8
97.10138	3.3
105.07008	23.0
107.08575	34.7
109.10139	35.4
117.06989	3.4
119.08567	26.2
121.10120	24.3
123.11691	27.4
131.08534	18.6
133.10110	20.3
135.11655	17.8
137.13242	42.0
143.08498	4.7
145.10097	17.9
147.11662	21.3
149.13216	19.7
151.14796	5.7
157.10095	5.7
159.11667	17.4
161.13249	12.1
163.14728	15.2
171.11676	5.9
173.13210	12.6
175.14790	18.1
177.16348	13.0
178.33255	1.8
179.17931	2.9
185.13240	7.5
186.14081	2.1
187.14816	22.8
189.16341	15.2
191.17883	10.1
199.14758	5.2
201.16347	17.4
203.17912	18.9
205.19496	4.1
213.16373	7.6
215.17929	13.6
217.19455	9.5
227.17854	5.2
229.19405	9.5
231.21075	5.8
241.19485	12.2
243.21126	13.7
255.21031	11.4
257.22687	5.2
269.22617	8.2
288.55984	1.8
295.24188	3.6
309.25665	3.5
337.28970	3.2
351.30319	2.2
393.35110	100.0
394.35419	8.6
412.73752	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06776	1.2
55.05503	28.8
57.07072	17.4
60.87297	1.3
67.05490	7.1
69.07062	28.5
71.08606	5.8
71.76772	2.3
78.68491	1.3
79.05491	4.9
81.06596	2.4
81.07047	33.4
83.08608	100.0
89.06032	1.9
91.05463	5.1
93.00972	1.5
93.07018	7.4
95.08587	10.8
97.10148	10.1
105.07015	9.2
107.08587	11.1
109.10140	7.6
117.06973	2.4
119.08529	4.9
121.10090	3.8
123.11707	3.0
129.07005	2.1
130.07703	1.6
131.08542	5.7
133.10141	7.4
135.11656	3.4
139.14738	2.3
142.07698	1.7
143.08568	3.2
145.10103	11.3
147.11685	5.5
149.13297	1.8
155.08517	1.4
157.10120	10.6
159.11649	6.6
161.13310	3.7
171.11696	3.9
173.13277	3.2
173.55258	1.4
183.11765	1.4
185.13258	4.1
187.14891	1.8
195.12177	2.4
199.14804	3.2
201.16309	3.5
202.99146	1.5
211.14799	2.0
213.16438	3.3
215.17880	2.7
225.16391	2.8
227.17805	1.5
229.19672	1.5
239.17833	2.3
253.19479	5.2
295.24179	9.2
296.22134	1.7
303.31674	1.5
309.25720	4.9
393.35110	46.3
394.35403	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	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01838	3.4
55.05495	19.3
57.07072	19.0
65.03928	6.4
67.05193	2.9
67.05501	40.2
68.28186	2.9
69.07062	27.5
69.84224	10.9
69.84648	12.2
71.04980	3.6
71.08607	11.1
79.05482	35.0
81.06584	5.6
81.07043	73.3
83.04958	8.3
83.08602	14.5
85.06532	4.4
85.10181	6.5
88.00024	3.5
89.06018	5.6
91.05469	55.0
93.07030	81.8
95.04958	58.0
95.08595	73.9
97.06506	10.6
97.10143	7.1
98.98448	7.0
103.05486	5.8
105.07022	91.6
107.08575	63.2
109.06505	17.5
109.10144	32.7
111.08083	4.4
115.05457	3.9
116.06245	3.2
117.06998	26.1
119.08567	100.0
121.06525	24.2
121.10130	53.5
123.08006	6.9
123.11663	18.2
125.64645	4.0
128.06194	10.1
129.06979	13.3
130.07756	8.7
131.08559	52.1
131.95139	3.0
132.09416	3.8
133.06468	5.1
133.10115	54.7
135.08023	8.8
135.11691	27.8
137.09563	4.9
137.13193	7.3
139.11162	3.8
141.06970	7.1
142.07788	20.6
143.08559	31.9
144.09308	8.3
145.06476	3.2
145.10103	72.6
146.07220	3.8
147.11661	31.8
148.56235	3.0
149.09616	3.9
149.13219	8.7
153.06956	3.6
154.07722	5.3
155.01060	15.2
155.08498	15.6
156.09311	7.6
157.10104	61.2
158.10738	4.8
159.08054	5.6
159.11679	53.2
160.12375	3.3
161.09593	22.1
161.13225	13.8
163.11171	5.6
163.14854	5.8
166.07680	3.3
167.08534	7.1
168.09286	6.4
168.94012	3.0
169.10069	25.4
170.10864	4.5
171.11681	29.1
173.09589	4.2
173.13206	32.7
175.11159	11.5
175.14833	19.8
177.16344	5.0
179.08556	4.8
181.10104	11.2
182.10936	5.7
183.11676	21.2
185.13254	17.1
187.11119	9.1
187.14824	18.9
189.12775	3.7
189.16278	4.4
192.09186	3.6
193.10133	4.5
194.10971	4.8
195.11826	10.4
196.12337	4.0
197.11569	3.2
197.13199	17.7
199.14787	12.1
201.12747	5.4
201.16370	13.0
207.11600	5.9
209.13220	16.2
211.11417	2.7
211.14743	6.6
212.15677	3.6
213.16365	9.7
215.14085	3.4
219.17374	5.0
221.13275	6.9
223.14818	9.7
225.16341	5.2
227.17845	3.3
234.63747	2.8
235.14780	7.2
237.16347	8.2
239.17854	3.9
241.19470	7.4
251.17969	4.1
253.15701	6.1
253.19609	5.2
259.14902	3.2
265.19278	4.4
269.22607	5.2
271.20508	2.9
307.94266	3.5
375.26929	3.8
376.26163	7.4
393.27753	13.1
393.35181	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51157	2.4
53.03931	4.6
55.05503	18.7
57.07068	21.9
59.05004	3.7
65.03931	4.1
66.89305	2.5
67.05497	30.2
69.03409	4.4
69.07053	30.3
70.46529	4.7
70.46935	8.9
71.04993	3.7
71.08632	7.1
79.05480	37.5
81.07036	64.0
83.04966	4.6
83.08635	13.5
85.06535	3.4
85.10175	5.9
89.06023	3.4
90.07648	2.4
91.05463	53.2
93.07033	81.0
95.04950	52.4
95.05504	5.1
95.08591	67.3
97.06519	9.2
97.10152	4.1
98.98447	13.2
103.05447	4.7
105.07008	100.0
107.08568	52.3
109.06494	17.6
109.10126	36.4
115.05436	3.3
116.06217	4.0
117.06995	19.9
119.07725	4.3
119.08564	87.9
121.06483	17.4
121.10126	47.3
123.08056	7.0
123.11685	15.9
128.06187	7.0
129.07007	12.4
130.07758	5.7
131.08553	36.7
133.06470	3.6
133.08582	5.4
133.10110	51.0
135.08031	5.7
135.11664	23.5
137.09599	4.8
137.13213	4.5
141.06966	7.7
142.07758	19.9
143.08537	30.1
144.09294	7.1
145.10097	62.2
147.08066	3.7
147.11671	22.0
149.09602	5.5
149.13239	5.9
151.14806	3.3
155.01010	20.9
155.08530	12.4
156.09262	13.1
157.10121	51.6
158.10782	7.5
159.08031	7.2
159.10373	3.8
159.11664	50.9
161.09621	14.3
161.13231	9.3
163.11249	2.9
167.08589	4.1
168.09309	6.3
169.10098	24.2
170.10938	4.7
171.11674	24.7
172.12463	6.9
173.13239	27.2
175.11145	9.0
175.14786	19.3
177.16330	2.9
179.08531	6.6
181.10097	8.5
182.10912	5.5
183.11641	17.5
185.13261	12.3
187.11160	8.3
187.14738	17.4
189.16412	4.9
193.10179	6.1
194.10994	4.8
195.12083	12.2
196.12445	3.4
197.13237	13.3
199.14812	9.8
201.12640	3.1
201.16324	10.5
205.15712	3.5
206.10870	3.5
207.11633	7.2
209.13269	15.2
210.13901	2.8
211.14784	14.4
213.16322	9.5
219.17308	3.8
221.13240	6.9
223.14828	7.0
225.16373	4.6
227.14273	4.4
227.17947	4.1
235.14789	6.6
239.14285	2.8
239.17815	3.2
241.19441	2.7
247.14790	3.2
253.15810	5.8
253.19537	4.1
255.21082	2.8
263.17935	3.3
265.19434	4.4
295.94571	2.9
375.26605	4.5
376.25928	4.4
377.32709	3.3
393.27463	12.3
393.35330	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
55.01868	2.5
55.05503	17.2
57.07070	6.8
59.04995	3.9
59.47841	1.4
65.03932	4.1
67.05493	34.3
69.03407	3.1
69.07062	17.7
70.84650	4.4
71.04972	2.3
71.08634	1.7
77.03918	1.7
79.05482	36.6
81.03388	1.5
81.07046	58.8
83.04970	5.2
83.08617	7.7
85.06525	4.1
86.40820	1.3
91.05466	51.4
93.07033	75.1
94.07351	2.0
95.04957	57.9
95.08594	54.0
97.06521	14.2
97.10146	1.7
103.05476	4.1
105.04485	2.3
105.07016	100.0
106.07346	2.2
107.04976	1.6
107.08575	50.6
109.06503	17.7
109.10140	29.6
111.08072	2.7
115.05439	5.2
116.06221	1.9
117.07001	19.4
119.04935	2.3
119.08566	82.8
121.06501	19.2
121.10130	44.3
123.08064	6.5
123.11678	13.0
128.06180	10.4
129.06992	16.3
130.07797	9.3
131.08546	44.6
132.08946	1.4
133.06496	1.8
133.10109	52.1
134.10400	1.7
135.08052	8.5
135.10719	2.8
135.11667	22.2
135.12643	2.3
137.09610	3.6
141.06934	8.5
142.07758	21.5
143.08551	32.3
144.09367	11.4
145.06454	2.7
145.10104	63.9
146.07254	2.0
146.10641	1.9
147.08058	3.9
147.11667	20.4
149.09592	4.3
149.13286	3.0
153.06989	2.9
154.07710	2.3
155.01060	2.2
155.08548	12.5
156.09308	11.2
157.10103	49.3
158.10835	5.8
159.08035	5.2
159.11671	43.7
161.09586	17.0
161.13211	6.0
163.11153	4.9
163.14915	2.5
165.07042	2.8
167.08531	3.4
168.09355	3.8
169.10109	26.0
170.10855	5.5
171.11667	24.1
172.12395	3.4
173.09586	5.3
173.13234	23.7
175.11197	9.6
175.14795	19.9
179.08571	4.9
180.09384	3.0
181.10078	10.4
182.10902	6.4
183.11646	18.3
184.12373	2.0
185.13257	14.0
186.13882	2.0
187.11157	8.4
187.14816	10.9
189.12733	2.0
192.09274	1.6
193.10086	4.8
194.10876	5.7
195.11632	9.4
196.12358	4.0
197.13235	14.3
198.13750	1.4
199.11137	2.8
199.14806	8.5
201.12671	1.6
201.16359	7.3
205.10249	2.7
205.15918	2.6
206.10942	3.2
207.11703	4.0
208.12346	2.4
209.13254	13.4
210.13985	3.2
211.11281	1.9
211.14754	8.2
213.12706	2.9
213.16359	4.3
215.14264	2.1
217.15829	2.3
219.17439	2.7
220.12550	3.2
221.13254	5.2
222.13890	2.2
223.14748	8.4
225.16382	5.1
227.14307	3.2
235.14888	7.0
237.16348	4.8
239.14270	1.9
239.17946	3.2
241.16003	2.0
241.19499	3.2
249.16412	4.0
251.17928	2.9
253.15907	5.9
253.19511	1.8
263.17914	2.5
265.19531	4.3
266.20184	2.0
267.20810	1.6
271.20514	2.2
277.19351	1.7
281.18951	2.0
283.20361	1.9
295.20688	1.7
319.20248	1.9
357.25729	1.8
375.26685	7.7
378.52469	1.5
387.62820	1.6
393.27618	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	393.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
53.69947	0.6
55.01860	3.3
55.05504	33.7
55.62331	0.6
57.03429	6.9
59.04994	0.8
61.02927	0.7
62.16418	0.6
66.06316	0.6
67.05492	10.6
69.03423	7.0
69.07063	6.2
70.06567	0.8
71.01350	2.4
71.04862	1.8
73.02909	4.2
75.04478	4.1
79.05489	7.6
81.03409	3.2
81.03809	0.6
81.07043	13.3
83.04961	3.1
83.08613	12.2
85.02895	15.9
87.00847	0.7
91.05466	1.2
93.05505	1.8
93.07044	1.6
95.01324	8.6
95.04913	0.9
95.08602	2.5
97.02894	4.2
97.10155	45.2
98.10488	1.0
99.00807	2.1
99.04429	1.3
101.02411	0.8
103.03922	2.3
105.03431	0.5
105.07001	1.9
107.08575	10.6
109.02856	3.0
109.10119	0.9
113.02365	5.0
114.09178	1.0
114.12833	0.5
119.08540	0.9
121.06496	2.8
121.10129	1.6
125.09614	100.0
126.09952	2.2
127.03892	3.2
129.05428	0.9
131.03354	3.0
131.08580	1.0
133.10130	1.2
137.05910	0.7
141.01810	15.9
141.05475	0.8
143.10657	58.7
144.10973	1.5
145.04903	1.0
145.10103	1.1
159.02885	3.6
161.09615	0.6
169.05046	1.0
177.16389	1.6
178.16692	1.0
179.77811	0.6
182.08928	0.9
183.84805	0.5
185.13177	0.8
187.05988	1.1
189.22720	0.6
199.13268	11.4
200.13698	0.7
203.90379	0.6
213.03900	0.7
215.05463	2.7
215.52141	0.6
217.12186	0.9
217.14311	19.2
217.16283	1.3
218.14720	1.0
233.06572	2.4
375.16861	0.8
393.18756	2.7
393.27527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
57.03436	0.5
67.05460	0.5
68.04999	1.5
69.03409	1.1
70.06396	1.6
73.48578	0.4
81.03394	1.3
81.07030	0.7
84.08106	0.8
85.02884	0.9
86.09711	0.5
93.07039	0.5
97.02850	0.8
98.96293	0.4
107.32572	0.5
109.02842	0.9
109.91079	0.4
114.09148	3.8
116.44004	0.4
120.08073	1.2
121.02846	0.9
124.05073	0.7
125.05959	0.5
125.09577	1.0
127.03873	1.3
130.04974	0.6
130.08575	0.4
133.10164	0.4
137.05933	0.7
140.03391	0.9
149.04547	0.5
166.07213	0.5
172.06056	1.2
174.11224	0.6
189.06395	0.9
197.11647	0.6
201.06380	1.3
202.07225	1.7
203.07957	2.0
204.08792	6.0
215.07942	1.6
216.08775	100.0
217.09341	4.2
218.10292	4.7
225.06398	8.1
226.07172	2.8
227.07927	1.3
228.08821	0.7
229.09552	1.3
230.08476	0.3
230.10338	9.6
240.08766	53.2
241.09384	2.4
243.07567	0.5
246.09837	6.7
251.29788	0.5
258.09729	2.5
268.08267	4.3
272.11401	3.4
283.09308	1.5
286.09561	0.5
300.10867	53.4
301.11069	2.3
311.08768	1.1
315.12155	0.6
333.13068	2.5
343.11404	2.6
361.12546	6.2
375.14090	6.5
393.15103	43.3
394.15411	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	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01854	1.3
55.05495	1.6
55.78253	0.5
57.03416	1.2
61.02923	1.1
61.31432	0.6
67.05502	0.9
69.03425	2.7
69.07061	0.7
70.06574	2.5
70.06903	0.6
71.04975	0.7
71.66936	0.8
72.08143	1.1
73.02910	1.0
78.52982	0.6
79.05476	2.8
79.15089	0.5
79.75792	0.5
81.03398	0.9
81.07058	1.1
84.08145	0.7
85.02895	6.3
86.09689	0.7
91.05463	1.5
93.03359	0.7
93.07018	0.8
95.04948	1.8
95.08625	0.8
97.02870	3.1
97.10144	1.4
99.04432	1.0
103.05453	2.3
105.07043	2.6
107.04949	26.1
107.08585	3.4
108.05248	1.0
109.02870	0.9
109.06528	0.6
115.05453	1.4
116.07081	1.0
120.08115	1.2
121.10160	3.2
123.04416	0.9
123.08012	1.2
124.05212	0.7
125.09595	2.9
127.03867	1.5
131.04926	0.6
133.10124	0.6
135.04475	0.5
135.08047	8.6
137.05978	1.1
140.04723	0.5
141.01782	0.7
143.10649	1.1
145.04959	1.2
145.07481	0.6
146.07671	0.6
149.02350	0.9
149.09601	4.1
151.03870	0.5
154.06226	2.1
155.07060	1.3
163.07533	16.6
167.07019	19.5
167.08089	0.8
167.10709	1.4
169.05006	0.9
169.08571	1.5
177.05421	0.8
177.09102	6.0
180.07808	1.8
194.06303	0.5
195.10155	100.0
196.10529	3.3
199.13242	1.4
213.11203	31.6
214.11560	1.2
216.08813	2.9
217.14333	0.8
240.08800	1.6
298.08154	0.5
300.10889	2.1
393.15588	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79979	0.8
53.03926	1.0
55.01859	2.1
55.05500	1.9
56.96556	26.6
57.03436	4.0
58.99844	0.8
59.04974	0.9
60.95842	1.4
61.02916	4.2
62.14603	0.8
64.03639	0.8
68.04993	0.9
68.98238	0.7
69.03416	9.6
69.46003	4.2
69.46432	4.2
70.06583	4.2
70.98119	1.7
71.04971	1.4
71.76903	0.7
72.08136	1.7
73.02905	4.0
73.06535	3.3
74.97593	1.2
75.04474	1.2
77.00900	1.4
81.03432	4.4
82.99863	2.1
83.05002	1.4
84.04487	1.5
84.08136	4.8
84.96019	2.8
85.02891	19.7
86.03247	0.8
86.09689	2.7
87.04451	3.6
88.99139	2.3
91.03945	1.6
91.05449	3.8
94.06540	0.8
95.04935	0.9
96.08121	1.0
96.20715	0.7
97.02879	11.6
98.06053	0.9
98.97568	42.4
99.04456	2.0
101.00861	7.8
102.96930	1.2
103.05424	1.1
105.00346	1.2
107.04943	2.0
108.02654	0.8
109.02859	4.4
110.97558	5.8
112.07584	1.0
112.99153	1.3
113.00873	1.9
113.04523	0.8
114.09155	8.6
115.01623	0.8
115.02441	2.3
115.03934	1.1
116.07076	2.4
116.98609	32.8
119.01904	37.1
119.04957	6.5
120.02000	1.3
120.08070	1.3
120.97911	1.2
121.01656	1.4
121.06473	1.5
123.04422	1.5
124.07608	1.1
124.99063	0.9
127.03906	6.1
128.98582	10.2
129.03941	0.9
129.05380	1.0
129.10199	1.5
130.08638	4.0
131.00163	1.7
131.01883	17.6
131.05600	5.1
132.01991	0.9
133.01758	0.9
133.03481	4.7
134.98683	1.3
134.99644	15.8
135.04384	1.6
136.06142	1.2
136.07507	1.1
137.02946	5.5
137.05957	29.9
137.06987	1.7
138.06302	1.6
139.03847	0.9
140.00229	1.6
140.07024	2.2
140.98578	3.0
141.07455	1.0
142.03453	1.1
143.00110	3.2
143.01880	62.2
144.02019	3.0
144.98003	1.0
145.01654	2.1
145.03453	7.0
145.04941	2.7
146.99641	13.3
147.01424	1.1
147.04330	18.7
149.01219	2.8
149.02965	3.9
149.06659	9.6
150.01608	0.9
150.06691	1.3
151.07545	1.5
153.00688	1.6
154.03632	1.0
155.01868	18.5
155.04556	5.1
156.02614	2.5
156.04846	1.3
157.03352	2.2
157.04335	3.2
157.54485	1.2
158.01227	1.1
158.99646	19.4
159.05040	4.3
160.00099	0.9
160.09668	1.8
161.01289	6.6
161.02939	100.0
162.03075	6.8
162.99083	2.2
163.02721	3.4
163.03723	4.1
165.00684	7.0
167.05687	1.1
167.07001	4.2
168.03491	1.4
168.55157	0.9
168.98061	2.1
169.07138	0.8
170.99651	4.6
171.05046	1.4
172.97568	2.3
173.01276	2.1
173.02936	22.2
173.04404	1.6
173.06573	24.9
174.03191	1.6
174.99112	1.5
175.04587	4.2
177.00700	22.0
177.02271	1.6
177.04190	1.0
177.06131	4.3
179.02261	4.4
179.07013	14.1
181.00015	0.9
184.04465	5.7
185.03020	3.0
185.06570	23.6
186.06703	1.4
186.99124	16.4
187.02803	0.8
187.04520	1.8
187.08154	4.6
189.00713	7.1
189.02177	1.0
189.04337	4.6
189.05971	1.9
190.04904	1.1
190.98631	5.8
191.02217	1.9
191.07637	7.3
192.03081	1.2
193.00244	2.8
193.03700	1.0
195.01669	1.0
197.03265	1.6
197.06476	1.6
197.08128	3.4
199.04453	0.9
199.08163	1.9
200.02240	1.6
201.00722	2.5
201.06075	2.1
203.02228	1.8
203.04024	6.8
203.07623	15.2
205.00174	26.6
205.03751	1.6
205.05438	14.7
205.55794	1.6
207.05307	2.2
208.04787	1.2
208.99648	1.8
209.06543	1.1
212.97118	1.4
213.04224	2.2
213.06087	1.1
214.05925	3.5
215.04175	1.0
215.07620	12.9
216.07921	1.0
217.05550	1.6
217.09222	1.4
218.98163	4.6
219.01677	9.7
219.03488	1.0
220.56207	0.9
221.05025	18.8
222.05421	3.6
223.01151	6.3
223.05162	1.6
225.56812	2.3
226.09216	1.0
227.07303	3.0
228.01801	1.5
229.00136	4.3
230.98091	11.8
231.05330	2.1
232.99660	2.0
233.08676	3.9
236.07372	1.1
236.99098	2.0
237.02768	16.9
238.03693	0.9
245.05075	1.4
247.01225	4.8
247.04900	1.2
248.99149	22.3
249.06393	1.4
251.00600	4.5
253.58223	1.1
254.98042	0.9
255.03801	1.9
257.08643	4.4
258.05743	1.3
259.01370	1.0
263.00882	1.2
265.57776	2.4
266.07739	1.7
266.57721	2.6
267.00232	3.1
267.07202	8.4
267.57538	1.7
269.01816	1.3
269.05045	0.9
272.10242	1.1
272.99136	14.6
274.09863	1.2
274.60333	1.0
275.09729	33.2
276.09940	2.5
279.03836	1.0
280.06943	0.8
283.04800	1.1
283.08582	1.4
284.99103	1.8
291.00162	9.8
291.07434	6.4
292.00717	1.0
293.10776	92.4
294.10925	7.7
295.07684	3.1
303.00330	6.5
304.08069	1.4
305.01801	1.9
307.08746	1.6
309.08557	17.0
310.08701	1.2
312.08594	2.1
312.59006	0.9
313.08600	2.4
314.01849	1.6
315.09161	0.9
316.12347	5.0
318.09525	1.5
321.01392	1.1
323.06473	2.0
330.08575	1.3
332.10004	2.3
333.01303	5.2
333.10675	1.6
335.11707	1.9
337.08179	1.0
341.07431	1.5
344.03143	1.2
348.06442	0.9
351.09924	2.7
361.09726	2.0
363.11380	1.1
375.02002	1.2
375.11108	2.9
384.11978	4.3
384.61954	1.2
393.04135	6.8
393.12393	54.3
393.19568	1.7
393.61868	1.6
394.12787	5.8
394.20575	4.4
409.10138	2.7
415.08951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01848	0.9
55.05486	4.6
57.03401	1.3
57.17009	1.0
58.06573	1.2
61.02908	1.8
67.05461	1.5
69.03421	6.0
69.07049	1.3
69.47938	1.8
69.48341	8.8
70.06584	7.8
72.08122	2.0
73.02920	1.2
73.06533	2.1
79.05470	6.7
81.03392	4.3
81.07037	3.5
84.04462	1.2
84.08121	4.3
85.02897	14.0
86.09700	5.9
89.03891	4.2
91.05463	3.4
93.07026	1.5
95.04927	3.0
95.08582	4.8
96.08895	1.5
97.02875	6.2
98.06018	1.3
98.20722	1.9
99.04440	1.4
103.05456	3.9
105.03351	2.7
105.06995	3.8
107.04945	36.3
107.08581	2.1
108.05292	1.0
109.02869	6.7
110.06000	3.0
110.07152	1.0
112.07607	6.4
114.09127	1.5
115.05438	1.4
116.07034	1.2
117.03352	3.9
117.07006	1.3
119.04951	2.2
120.08059	2.7
120.08929	1.0
121.02858	5.4
121.06483	2.2
123.04403	2.0
123.08079	2.9
124.08412	1.4
125.05999	1.0
127.03882	5.5
130.08621	100.0
131.04904	2.0
131.08961	2.2
133.06577	1.2
133.10085	1.9
135.04405	10.9
135.08031	11.7
136.07523	2.9
137.05957	3.5
145.02823	17.3
145.04877	2.1
145.07555	1.7
146.05998	2.0
147.04381	4.4
148.81909	1.1
149.02269	4.5
149.05997	1.3
150.02625	2.1
154.06186	1.2
159.04390	1.1
163.03886	4.0
163.06169	2.1
163.07526	31.1
167.07011	76.6
168.07327	1.9
175.14879	2.4
177.01808	2.0
177.09061	3.2
177.15482	2.1
180.08807	1.6
181.04886	2.2
195.02885	3.0
195.06503	33.6
195.10133	27.0
208.09685	2.0
213.11185	93.9
214.11487	3.1
223.02359	3.2
231.02960	1.7
245.09804	1.4
249.03595	1.5
249.16025	1.2
273.03845	9.4
291.04987	4.5
292.13846	12.7
298.01688	1.1
315.04767	1.1
391.68494	1.3
392.19162	5.2
393.09219	5.9
393.14111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01857	2.6
55.05506	5.2
57.03423	1.8
67.05498	8.5
67.40959	1.5
69.03419	9.5
69.07044	4.3
69.44517	16.8
71.04985	5.9
79.05484	18.8
80.05852	1.7
81.03400	6.5
81.07040	23.4
83.04962	8.8
83.08610	3.2
85.02898	9.2
85.06516	4.2
86.09711	4.9
87.00829	1.6
91.05457	13.4
93.07031	46.8
95.04966	5.6
95.08590	15.0
97.02891	5.3
97.06528	12.2
98.21445	4.2
99.04437	14.6
101.05984	2.2
103.05411	1.8
105.07027	22.4
107.04954	4.0
107.08580	25.0
109.02885	8.0
109.06509	17.4
109.10159	4.3
111.08033	7.9
115.05531	1.6
117.07010	2.4
119.08579	19.5
120.08073	2.6
121.06488	29.5
121.10131	10.1
123.04398	2.5
123.08064	4.6
123.11676	3.8
124.53940	1.6
125.06018	2.8
125.09623	4.2
127.03929	8.8
127.07526	8.6
129.07018	5.5
131.08542	4.0
133.06500	2.8
133.10069	10.5
135.04372	4.1
135.08014	15.6
135.11674	3.5
137.05931	3.4
137.09666	2.0
139.07489	3.8
143.08539	6.9
145.04964	1.7
145.10159	8.4
147.08043	5.8
147.11661	38.2
149.02345	6.6
149.13260	2.7
150.02654	1.9
153.09087	3.8
156.09268	3.0
157.10075	12.7
159.03035	1.9
159.11674	2.2
161.05882	2.3
161.09671	2.0
161.13254	5.1
165.12753	7.7
170.60815	1.7
171.07999	1.6
171.11665	14.8
173.09634	5.1
173.13295	2.2
175.11172	17.6
175.14728	1.8
177.16328	2.2
177.86426	1.7
181.10066	2.8
189.09204	2.0
189.12712	18.0
193.12230	11.6
195.13817	3.0
199.11140	17.1
207.13783	20.8
211.13329	6.9
217.12216	51.2
217.15469	2.1
218.12688	2.5
227.17722	1.9
231.13754	5.5
233.16518	2.0
235.13258	100.0
236.13658	6.6
253.14326	72.5
253.17003	2.9
254.14684	3.8
271.15375	2.7
321.13345	2.5
339.14224	2.7
357.15332	3.2
360.12772	2.1
392.22998	2.2
393.18808	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	392.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01861	0.5
55.05505	3.6
57.03423	0.7
58.02931	0.2
58.06588	0.3
60.89147	0.2
61.02933	0.2
62.06842	0.1
68.04999	0.2
68.99773	0.4
69.03424	2.3
69.59444	1.0
69.59863	0.5
70.06606	0.9
71.04995	0.4
72.08134	0.2
73.02901	0.2
74.06067	0.2
81.03407	2.5
82.06566	0.5
83.04959	1.3
84.04494	0.3
84.08126	2.5
85.02893	3.4
86.09682	0.5
87.00775	0.3
91.05460	0.3
95.08590	0.3
96.08107	0.2
97.02872	1.7
98.06040	0.7
99.04434	1.2
99.23064	0.2
101.02367	2.6
103.03888	0.2
107.04912	0.3
109.02856	2.5
109.06493	0.2
110.06010	0.6
111.04408	0.3
112.07591	6.2
114.09151	4.9
116.07130	0.2
119.03412	4.0
119.04906	0.2
120.08091	0.4
121.02826	0.6
123.04431	0.2
124.24049	0.2
126.05466	0.2
127.03893	2.2
128.07076	0.2
129.10197	0.2
130.08623	100.0
131.03394	0.6
131.04855	0.2
131.08952	1.4
135.04343	0.2
137.05954	0.3
139.03888	0.2
145.04932	0.7
147.04396	0.6
149.02339	0.7
150.02623	0.5
161.05888	0.2
163.03888	0.5
164.04396	0.2
167.07100	0.2
172.09660	0.6
173.04482	0.9
174.11246	0.3
177.05611	0.2
203.20143	0.2
230.04829	0.5
230.08041	0.2
231.02873	0.2
238.10680	0.2
245.06468	0.2
273.03830	0.3
292.13837	1.6
316.13968	0.2
360.12808	0.7
374.17987	0.6
391.91644	0.2
392.15427	7.9
392.22971	1.9
393.09442	0.4
393.16354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40745	0.6
53.03949	0.7
55.05497	7.5
55.10793	0.5
57.07061	4.1
67.05493	7.9
69.07054	9.7
71.08619	3.1
79.05477	5.6
81.07039	21.1
83.08604	8.0
88.55637	0.5
91.05448	6.8
93.07028	13.2
93.07580	1.2
95.04960	1.1
95.08586	24.0
97.10136	5.3
98.98463	0.7
101.11253	0.5
105.07005	18.3
107.08569	21.0
109.10130	13.7
111.11721	1.3
117.07000	2.9
119.08560	16.5
121.10120	16.1
123.11684	4.8
128.06134	0.6
129.06969	2.2
131.08537	10.7
133.10106	17.4
135.11662	9.8
137.13240	1.3
142.07762	1.2
143.08548	4.8
145.10100	16.3
147.11659	11.1
148.67578	0.6
149.02310	11.4
149.13235	4.2
151.14793	0.9
155.01027	1.6
155.08556	2.2
156.09364	1.0
157.10117	6.1
158.10915	1.1
159.11649	15.3
161.13225	8.0
163.14793	9.8
167.03357	1.4
169.10114	2.9
170.10942	1.2
171.11641	7.8
172.12381	0.9
173.13222	8.5
175.14796	7.1
177.16362	10.7
181.10095	0.9
183.11635	4.4
185.13223	9.6
186.13875	0.7
187.14786	9.5
189.16347	11.2
191.17957	1.9
195.11656	1.2
197.13181	3.5
197.55234	0.6
198.13931	0.7
199.14801	8.1
201.16345	24.3
202.16690	0.9
203.17912	18.9
205.19452	1.1
209.13255	1.1
211.14807	2.6
213.16331	6.5
215.17926	8.1
217.19518	2.3
221.13118	0.7
223.14783	1.7
225.16469	3.2
227.17899	8.1
229.19467	5.5
230.00694	0.7
237.16312	1.2
239.17842	5.0
241.19470	6.3
243.21059	1.6
251.18015	1.8
253.19481	10.3
254.19930	1.0
255.21057	3.1
263.00647	0.6
265.19504	1.0
267.20990	3.0
269.22601	1.2
279.21091	1.0
281.22568	2.8
293.22617	0.9
295.24179	1.8
297.25690	9.9
298.26215	0.6
307.24042	2.7
309.25800	2.1
321.25858	1.9
323.27356	3.8
335.27252	3.4
349.28787	1.3
391.33545	100.0
392.33960	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	391.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93726	0.4
52.58244	0.4
53.03920	0.6
55.05504	6.9
57.07067	4.2
65.03923	0.6
67.05177	0.6
67.05496	8.2
69.07060	8.6
70.11587	0.4
71.08601	1.7
71.14541	1.2
71.51951	0.4
74.47513	0.5
79.05482	5.5
81.07042	17.8
83.08608	7.5
91.05466	7.2
93.07029	12.0
95.04950	0.9
95.08591	25.6
97.10154	5.0
105.07015	14.8
107.08578	18.5
107.09324	0.9
108.08865	0.6
109.10144	13.2
111.11713	0.9
114.51665	0.4
115.05376	0.6
117.06996	3.5
119.08566	18.0
120.08845	0.6
121.10127	13.8
123.11687	5.6
128.06216	0.5
129.07002	2.2
130.07767	0.5
130.14455	0.4
131.08548	9.8
132.08939	0.5
133.10107	17.4
134.10419	0.6
135.11665	7.8
137.13225	1.2
141.06921	0.7
142.07785	1.0
143.08534	4.9
144.09285	1.2
145.10097	13.5
146.10504	0.7
147.11670	11.4
149.02318	6.0
149.13220	4.6
151.14795	0.6
155.08553	1.9
156.09319	1.2
157.10088	6.6
158.10893	1.2
159.11673	15.6
161.13237	7.8
163.14806	8.3
165.16333	0.5
167.08482	0.5
168.09315	0.6
169.10077	2.8
170.10861	0.9
171.11668	7.9
172.12378	0.9
173.13239	12.2
175.14789	6.3
177.16360	9.1
179.17982	0.4
181.10104	0.9
182.10902	0.5
183.11667	4.1
184.12404	0.8
185.13226	10.6
186.13953	0.6
187.13225	0.8
187.14790	9.3
189.16354	10.6
191.17867	2.0
195.11678	0.9
197.13220	3.4
198.14075	0.8
199.14799	6.7
201.16357	25.2
201.86795	0.4
202.16716	1.1
203.17928	14.3
205.19489	1.0
209.13232	1.2
211.14729	2.5
212.15540	0.9
213.16342	7.3
215.17920	7.9
217.19510	2.2
223.14752	1.3
225.16341	2.4
227.17917	8.8
228.18430	0.5
229.19490	4.6
237.16299	1.2
238.16989	0.9
239.17923	5.1
240.18518	0.6
241.19456	6.1
242.19791	0.7
243.21109	1.2
251.17970	1.3
253.19490	10.0
254.19791	0.5
255.21034	3.4
265.19577	1.3
267.21054	3.4
269.22675	0.9
271.24243	0.5
279.21078	0.9
281.22501	2.6
293.22714	1.1
295.24167	1.2
297.25699	10.1
298.26245	0.6
304.31717	0.4
307.24271	2.5
309.25772	1.8
321.25720	2.7
323.27234	3.3
333.25882	0.7
335.27176	3.0
349.28879	0.8
363.30511	0.7
391.33545	100.0
392.33929	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	391.2835
Annotation	Apocholic acid
Peak:m/z	Relative Intensity
53.03930	2.9
55.05495	8.2
57.07070	5.6
59.32028	1.9
67.05491	18.3
69.07050	16.1
69.66822	3.2
69.67149	16.4
71.04971	2.3
71.08612	3.4
79.05479	13.2
81.07037	35.1
83.04971	2.6
83.08129	1.7
83.08616	7.3
85.06511	3.2
88.65697	1.6
91.05452	19.4
93.07026	46.8
95.04953	3.3
95.08588	62.0
97.06522	6.6
97.10168	3.9
98.21449	4.1
99.08086	2.1
105.07017	33.3
107.08572	74.1
109.06480	9.8
109.10131	45.2
111.08053	5.5
111.11689	2.8
117.07017	7.3
119.08566	51.5
119.40394	1.9
121.06420	2.6
121.10127	55.8
123.08070	10.9
123.11683	20.7
125.09606	3.7
129.07010	3.7
131.08556	19.3
133.06461	2.1
133.10114	48.5
135.08055	8.8
135.11667	55.7
137.09615	6.7
137.13219	10.3
139.11183	4.0
143.08571	5.2
145.10112	25.4
147.08057	2.5
147.11664	29.3
149.02307	18.2
149.09604	5.8
149.13222	24.5
149.14302	2.5
151.11192	7.5
157.10135	10.0
159.11662	28.2
161.09613	5.8
161.13229	16.6
163.07510	2.1
163.11156	4.4
163.14796	19.9
165.09068	4.4
165.12759	3.0
169.10120	3.8
171.11708	10.3
173.09540	2.8
173.13223	17.0
175.11188	6.2
175.14772	11.2
177.09050	3.2
177.12762	13.9
177.16417	8.5
179.10773	2.8
179.14365	2.7
181.08603	4.0
183.10104	3.6
183.11554	4.1
185.13260	6.4
187.11212	2.6
187.14824	11.6
189.12788	5.3
189.16350	16.2
191.10573	3.4
191.14328	6.1
191.17967	5.6
193.12280	5.2
193.15799	1.9
197.13335	4.4
199.14815	7.5
201.12772	2.5
201.16360	12.3
203.14375	2.9
203.17992	8.5
203.31258	2.2
207.13802	2.9
207.17393	2.3
211.14807	4.4
213.16455	6.0
215.17987	4.1
217.15924	2.7
217.19531	5.8
219.13843	4.7
225.16391	4.4
227.17914	3.9
233.15477	2.3
239.17972	3.5
241.19499	3.3
245.15427	3.3
253.19464	2.1
255.21004	5.1
257.19077	1.9
259.16849	4.1
269.22678	3.2
273.18588	1.9
279.21136	4.3
295.24268	5.3
297.22147	4.2
306.27490	1.9
309.25790	2.6
313.21619	3.1
313.25177	14.2
315.23224	6.9
327.23401	3.5
327.26764	12.5
331.26123	9.4
337.25235	8.6
345.27863	5.0
355.26257	31.5
356.26263	2.2
373.27322	69.7
373.47049	2.1
374.27679	4.1
391.28458	100.0
391.33548	9.4
392.28726	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	391.2836
Annotation	Apocholic acid
Peak:m/z	Relative Intensity
53.03920	1.8
55.05503	13.6
57.03413	3.0
57.07061	7.4
59.04976	3.7
67.05497	22.0
69.03417	4.8
69.07053	18.4
71.04984	1.8
71.08614	3.5
71.31424	4.1
79.05473	17.3
81.03399	2.0
81.07040	42.1
83.04944	2.4
83.08601	8.9
85.02891	2.2
85.06546	3.2
91.05469	21.4
93.07029	56.1
95.04960	5.3
95.08590	73.1
97.02879	7.9
97.06525	5.5
97.10147	3.9
105.07008	41.7
107.04912	1.8
107.08573	87.2
109.06510	9.3
109.10140	56.6
111.07384	1.4
111.08021	6.6
111.11697	3.2
113.09636	1.6
115.05478	1.8
117.07001	7.3
119.08565	61.6
121.06493	5.1
121.10125	73.8
122.10429	1.7
123.08057	13.4
123.11689	30.5
125.05988	1.7
125.09603	4.4
127.11209	2.0
128.06267	1.4
129.07010	4.0
131.08537	17.2
133.10106	54.2
133.64452	1.4
135.08055	10.3
135.11668	65.1
136.12050	1.6
137.09581	8.7
137.13229	11.6
139.07516	4.8
139.11185	2.5
142.07709	1.5
143.08548	8.9
144.09428	1.6
145.10101	24.9
145.11183	1.9
147.08034	2.5
147.11662	32.5
148.12082	1.6
149.02324	25.5
149.09569	7.3
149.13225	27.6
150.02538	1.4
151.07552	1.8
151.11169	9.2
151.14842	1.9
153.12694	3.4
155.08606	2.3
156.09288	2.1
157.10100	14.0
158.10915	3.1
159.11667	30.1
161.09634	6.3
161.13226	21.7
163.07530	3.2
163.11179	4.3
163.14795	24.7
165.09096	4.9
165.12785	4.8
167.03433	3.1
167.10706	2.2
167.53661	1.4
169.10138	3.7
171.11668	10.3
173.09567	1.9
173.13240	18.8
173.14624	2.3
175.11195	7.7
175.14799	13.1
177.09074	3.2
177.12701	16.3
177.13870	1.5
177.16341	6.4
179.10712	4.4
179.14322	5.4
181.10107	1.7
183.10213	2.9
183.11708	6.2
184.12521	1.5
185.13245	10.4
187.14799	15.6
189.12721	4.6
189.16347	15.4
191.10638	2.8
191.14214	7.2
191.17920	7.8
193.12256	5.2
193.15724	1.6
195.10158	1.9
195.11758	1.9
197.13214	5.2
199.14786	11.7
201.12674	1.9
201.16382	8.2
203.14288	2.9
203.17860	10.4
205.12305	3.8
205.15871	2.8
207.13803	4.6
207.17352	2.4
209.13344	2.7
211.14880	3.1
213.16400	7.0
215.14212	3.3
215.17990	6.1
217.12350	1.5
217.15900	4.6
217.19441	8.3
219.13846	6.0
221.15311	2.1
223.14832	2.5
225.16452	4.2
227.14354	2.3
227.17943	4.9
229.15862	3.0
229.19716	1.8
233.15341	4.9
234.62207	1.6
239.18008	3.8
241.19511	1.5
243.17526	2.8
245.15387	2.9
247.16937	2.9
253.19492	4.7
255.17432	1.3
255.18658	1.8
255.20885	8.9
257.18933	1.9
257.22720	1.6
259.16937	4.3
269.22638	4.4
271.17181	1.8
279.21112	4.7
285.18491	1.8
295.24335	4.2
297.22159	4.6
299.20245	1.5
307.24344	1.6
309.25699	7.2
311.23294	1.5
313.21704	2.4
313.25171	16.2
315.23206	9.6
327.26761	12.2
331.26285	9.6
335.15540	1.6
337.25345	8.3
345.27963	3.1
355.26248	37.1
355.30420	1.8
356.26523	2.2
369.55688	1.7
373.27347	74.1
374.27939	3.5
391.28464	100.0
391.33548	12.9
392.28873	7.5
392.33380	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	391.2836
Annotation	Apocholic acid
Peak:m/z	Relative Intensity
50.48342	1.6
51.53186	1.8
52.69577	1.6
53.03944	4.0
55.05503	11.5
55.86449	2.0
57.03419	3.4
57.07058	7.9
63.35915	1.9
65.03909	3.4
67.05490	21.3
68.37778	1.6
69.03407	2.1
69.07061	19.3
70.85564	5.6
71.04988	3.0
71.08624	7.7
79.05474	17.7
81.07048	43.9
83.04998	2.7
83.08629	9.2
85.02843	2.2
85.06528	3.7
91.05466	24.1
93.07027	56.0
95.04966	5.0
95.07987	4.4
95.08588	70.7
97.06520	8.2
97.10184	2.9
98.48177	1.7
99.08125	2.0
105.07020	42.6
107.08576	88.0
109.06508	12.0
109.10137	49.5
111.08068	9.1
111.11714	2.3
117.07015	5.4
119.08565	56.3
121.06454	2.1
121.10125	63.3
122.10436	2.1
123.08067	12.6
123.11691	28.8
125.09657	2.9
129.06981	2.0
131.08539	17.4
133.10107	57.8
133.35988	2.2
135.08046	9.3
135.11670	65.2
137.09631	8.8
137.13217	11.0
139.07500	2.9
139.11180	3.6
139.64557	1.8
142.07787	3.9
143.08575	8.2
144.09317	2.9
145.10109	25.6
147.08032	4.3
147.11664	32.6
149.02324	48.5
149.09634	7.7
149.13246	21.4
151.07547	2.5
151.11179	8.0
153.09045	2.0
153.12766	1.9
155.08505	3.5
157.10103	15.1
159.11676	29.9
161.09673	3.3
161.13246	24.0
163.11212	5.5
163.14807	19.5
165.09169	4.4
165.12755	7.0
167.03400	3.8
167.10620	3.4
169.10135	5.8
171.11688	9.2
173.13229	22.0
175.11186	8.2
175.14838	13.4
177.09103	2.6
177.12700	14.2
177.16371	7.9
179.10678	2.8
179.14326	5.8
183.11697	5.9
185.13297	11.2
187.11107	2.1
187.14804	16.8
189.12692	2.8
189.16315	17.2
191.10634	2.8
191.14311	6.9
191.17920	9.8
193.12192	4.4
195.11769	2.8
197.13307	6.5
199.14864	8.9
201.12854	3.4
201.16307	12.2
203.14345	5.7
203.17886	10.5
205.12247	3.7
205.15967	3.6
207.13841	3.0
211.14789	5.9
213.16432	5.2
215.14313	2.4
215.17960	7.7
217.15866	2.9
217.19518	11.3
219.13841	7.7
221.15364	3.1
223.14784	4.4
225.16396	4.8
227.17868	3.7
231.13687	3.0
233.15450	4.1
239.17995	3.3
241.19560	4.1
245.15477	2.4
247.16980	2.9
253.19606	2.5
255.21024	9.4
259.16830	2.8
267.20898	2.0
269.22653	4.8
279.21158	5.8
295.24185	4.3
297.22308	5.7
309.25827	6.2
313.25134	18.7
315.23227	10.2
325.42712	1.8
327.26810	11.2
331.26370	11.5
337.25223	7.4
345.28168	4.4
355.26300	34.9
356.26587	2.9
373.27332	69.3
391.28482	100.0
391.33594	13.6
392.29312	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2834
Annotation	Apocholic acid
Peak:m/z	Relative Intensity
53.03934	3.5
55.05509	14.4
57.03428	4.6
57.07051	8.1
59.04962	2.2
67.05492	22.5
69.03431	2.9
69.07059	19.1
70.06108	12.2
71.04974	4.5
71.08606	8.6
73.41790	2.2
79.05470	22.1
80.23067	1.9
81.03405	2.1
81.06586	4.3
81.07036	49.8
82.65000	2.1
83.08596	10.3
83.87112	2.2
85.05268	2.3
85.06516	4.6
85.07027	2.7
91.05472	24.7
93.07027	61.0
95.04959	5.9
95.08586	74.2
97.02905	2.5
97.06518	9.6
97.10119	5.8
99.08025	2.4
105.05487	2.5
105.07006	44.6
107.08572	99.1
109.06489	11.8
109.10130	48.2
111.08040	7.7
117.06987	8.3
119.08556	63.5
121.06473	4.8
121.10117	70.0
123.08041	15.7
123.11674	26.0
125.09619	3.1
129.07050	3.8
131.08537	21.6
133.09138	4.5
133.10104	58.5
135.08032	10.6
135.11665	57.8
137.09608	7.3
137.13216	8.4
139.11162	4.3
143.08528	8.9
144.09273	2.8
145.10080	32.2
147.11649	34.7
149.02295	36.8
149.09613	9.4
149.13231	23.0
151.11139	7.0
151.14716	2.5
153.12672	2.5
155.08495	3.3
157.08873	2.2
157.10086	13.6
159.11649	33.0
161.09610	4.5
161.13226	22.4
163.11162	6.8
163.14792	18.6
165.09138	7.0
165.12704	4.0
169.10065	6.1
171.11653	14.7
173.13254	24.5
175.11160	6.9
175.14790	15.6
177.09067	6.6
177.12695	14.9
177.16351	9.2
177.82487	2.7
179.10594	3.7
179.14165	3.9
183.10126	4.1
183.11707	7.5
185.13225	10.2
187.11150	3.8
187.14751	18.4
189.12796	3.0
189.16412	13.8
191.10590	3.6
191.14243	8.6
191.17937	5.7
193.12163	5.3
197.13281	5.0
199.14822	8.6
201.12701	3.7
201.16336	13.5
203.14279	4.1
203.17935	11.7
205.12108	3.9
207.13870	2.6
209.13229	3.8
211.14784	6.1
211.16809	3.1
213.16344	6.4
215.14256	4.4
215.17967	6.8
217.15787	3.8
217.19441	8.7
219.13715	5.2
221.15240	4.7
225.16412	3.3
227.17853	6.4
231.13786	3.8
239.17899	4.5
241.19620	5.3
245.15279	3.3
253.19507	7.4
255.21074	11.3
257.18750	2.5
259.16916	5.3
269.22607	5.1
273.18378	2.6
279.20905	5.7
294.49875	2.8
295.24091	5.4
297.22058	4.4
309.25674	6.0
313.25284	15.0
315.23102	7.6
320.92783	3.3
327.26611	11.9
331.26288	9.5
337.25177	9.3
345.27835	3.8
355.26251	35.1
356.26514	4.1
373.27338	60.4
374.27631	3.9
391.28339	100.0
391.33508	35.8
392.28787	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	391.283
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
50.20602	1.5
53.03941	1.9
55.05500	12.9
55.35198	1.5
57.07066	10.1
58.76641	1.6
59.04976	2.0
65.03924	2.2
67.05488	17.7
69.03404	1.5
69.07054	21.2
70.30261	6.5
70.30678	3.7
71.04957	2.0
71.08614	8.2
72.00917	1.7
79.05479	14.6
81.07041	41.6
83.04957	2.4
83.08614	11.3
85.02890	2.2
91.05468	18.0
93.07027	42.2
95.04957	4.2
95.08595	62.7
97.06490	4.9
97.10143	4.9
98.21369	2.0
99.08114	2.0
105.07010	41.3
107.08577	65.2
109.06483	6.8
109.10145	42.3
111.08048	2.7
111.11708	2.1
117.06969	5.4
119.08565	52.6
121.02763	3.3
121.06505	3.2
121.10123	52.5
123.08067	7.7
123.11671	26.4
129.06996	3.0
131.08542	19.4
133.10107	47.2
135.08029	6.1
135.11662	37.6
135.12637	3.1
137.09579	5.0
137.13211	11.0
139.11125	2.3
141.06955	1.6
142.07716	1.8
143.08545	11.3
145.10089	35.5
147.07953	2.5
147.11667	31.1
149.02321	55.4
149.09602	6.2
149.13245	16.1
151.11159	6.2
155.08548	4.9
156.09218	1.6
157.10109	15.5
159.11670	33.6
161.09500	2.5
161.13237	19.3
163.07465	2.3
163.11197	2.7
163.14798	18.9
165.12733	3.0
167.03383	7.2
169.10028	6.6
171.11665	13.3
173.09628	2.5
173.13229	23.0
175.11177	5.5
175.14783	17.1
177.09122	2.4
177.12746	6.6
177.16411	7.8
179.10706	2.2
179.14201	3.4
183.11621	9.6
185.13225	13.1
187.14796	21.8
189.12677	4.0
189.16382	19.0
191.10786	1.8
191.14304	2.4
191.17940	9.2
193.12221	2.4
195.11665	3.9
196.12468	1.8
197.13251	6.6
199.14807	10.2
201.16353	21.9
203.17876	9.4
205.19446	1.7
209.13104	2.0
210.14117	1.9
211.14790	4.2
213.16331	8.1
215.17889	8.9
217.19456	3.8
219.13773	3.4
223.14815	2.8
225.16342	5.8
227.08037	1.7
227.17932	4.5
229.19418	2.7
231.17265	1.9
233.15327	2.2
237.16537	3.0
239.17918	7.5
241.19533	8.1
243.20987	3.6
245.15414	1.7
251.17851	2.3
253.19513	8.7
255.21007	7.6
265.19299	2.2
267.21005	5.3
269.22528	5.4
279.20969	4.8
281.22617	3.3
295.24109	4.6
297.22162	2.9
299.19681	2.0
307.24109	3.4
309.25797	4.6
313.25162	11.4
315.23096	6.2
321.25928	2.1
327.26804	6.2
331.26248	3.8
335.27426	2.6
337.25113	4.9
355.26346	21.0
373.27322	42.9
374.27643	2.4
391.28366	54.0
391.33505	100.0
392.28946	2.3
392.33884	4.0
403.58224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2321
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
50.23973	1.5
52.12066	1.3
55.01870	2.5
55.05500	15.2
57.03419	2.6
57.07055	6.0
59.04978	1.7
61.02912	2.8
61.29845	1.3
62.40837	1.4
67.05491	11.8
69.03418	14.5
69.07059	11.3
70.06588	2.8
71.04977	5.0
71.08606	4.1
71.79649	3.0
72.64009	1.3
73.02921	1.4
74.85337	1.5
79.05474	5.6
80.05845	1.3
81.03403	4.0
81.07048	15.1
83.04960	18.1
83.08606	16.9
85.02895	18.5
85.06532	8.8
87.00816	2.3
90.59930	1.3
91.05470	6.6
93.07010	11.9
95.04941	4.2
95.08600	17.6
97.02876	6.3
97.06516	8.5
98.06861	2.7
99.04399	2.5
99.08080	5.6
101.06024	1.6
105.06997	7.5
106.07333	1.5
107.04933	1.9
107.08566	16.1
109.02864	3.3
109.06503	2.5
109.10143	33.7
111.08062	4.1
114.10294	2.6
117.06961	3.3
119.08558	7.7
120.08937	1.5
121.02888	1.8
121.10107	9.5
123.08051	4.8
123.11684	15.9
125.09587	7.7
127.03888	4.1
127.07481	1.3
127.11148	13.6
129.06987	2.2
131.08519	3.0
133.10107	9.7
135.04349	1.5
135.08066	2.7
135.11668	14.8
137.06007	3.2
137.09589	2.3
137.13292	2.0
139.03955	1.4
141.12737	1.4
142.07715	1.5
143.08553	1.4
143.10681	1.8
145.04948	1.8
145.10101	3.8
147.04335	1.9
147.11670	4.7
149.02333	35.8
149.09622	2.6
149.13258	7.0
151.07588	2.0
151.11151	4.5
151.14795	1.6
157.10107	1.9
159.11696	3.8
163.03821	3.8
164.04231	4.5
165.04459	4.0
167.03387	4.6
167.07002	2.5
167.14288	14.6
169.12230	24.5
173.13246	2.4
175.11351	1.6
175.14838	6.4
185.13434	1.3
185.15317	10.5
187.14688	1.5
189.08994	1.8
193.15817	6.8
194.16216	1.7
197.11711	1.8
205.19470	2.7
211.16893	65.9
211.18921	3.2
215.17888	3.1
221.37877	1.4
229.17960	100.0
233.19034	1.9
239.33469	1.7
260.09860	3.2
261.10165	3.3
337.25128	1.5
355.26221	1.5
373.27206	3.3
391.22330	21.5
391.27850	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01846	2.9
55.05500	6.2
57.03421	9.7
57.07059	4.8
65.03928	2.7
67.05499	22.1
69.03413	4.6
69.07055	4.3
70.06570	6.6
71.01350	5.6
71.04972	2.5
71.08614	5.8
71.78951	2.6
72.08142	3.3
73.02905	7.1
73.11721	2.2
75.04470	3.6
77.71426	2.3
79.05486	17.2
81.03385	5.6
81.07046	100.0
84.04480	4.1
85.02892	13.9
85.06533	9.2
86.09673	6.9
91.05438	5.3
93.07024	7.0
94.93392	2.6
95.01313	7.2
95.04967	8.0
95.08594	90.8
97.02889	6.7
97.06537	2.4
99.08067	3.9
100.07598	4.3
105.03373	35.3
105.07023	4.9
106.03704	22.2
106.07283	2.5
107.04926	3.2
109.02773	2.4
111.04436	2.9
113.02334	5.8
116.07047	4.9
119.08573	2.2
120.08079	3.6
123.04401	4.4
123.08056	73.3
124.04707	2.4
128.57825	2.3
129.05406	3.2
129.40465	2.0
130.06598	3.5
130.08621	6.2
131.03398	3.3
133.06613	2.4
134.06830	3.0
137.05946	5.9
141.01790	12.5
141.09093	46.0
144.69392	2.4
146.05980	5.8
147.21184	2.2
149.02327	35.2
149.09679	2.4
151.03900	2.6
153.05482	5.9
158.08160	3.3
159.02924	3.0
161.05901	4.2
162.06285	4.5
167.03366	4.2
175.08774	2.5
179.07074	13.1
180.07364	18.8
181.04897	2.8
188.07098	3.4
193.08597	3.4
195.06508	3.2
197.04381	2.4
197.08086	7.1
197.11702	26.1
198.08369	7.7
204.08728	3.9
215.12767	22.1
297.06445	2.1
304.86148	2.1
373.18887	2.8
391.14404	5.1
391.18744	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	391.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25080	1.8
53.03926	4.0
55.01847	5.1
55.05497	5.5
55.63423	1.5
57.03434	11.0
57.07066	3.6
60.23658	1.6
65.03914	3.1
67.05499	17.5
68.52294	1.5
69.03411	4.2
69.07050	2.6
70.06567	6.0
71.01342	3.7
71.04984	2.1
71.08614	4.8
73.02901	7.9
75.04459	2.2
79.05494	17.1
79.97896	1.7
81.03391	4.5
81.07045	100.0
82.07342	2.0
84.04485	3.5
84.08118	2.2
85.02893	15.6
85.06526	7.1
86.09686	6.2
91.05452	3.5
93.07015	6.5
95.01324	8.2
95.04958	11.8
95.08600	88.2
96.08173	1.6
97.02885	5.1
97.06516	2.5
99.04452	2.1
99.07490	1.6
99.08051	8.4
100.07599	2.7
101.68024	1.7
105.03381	27.4
105.07026	6.0
106.03733	20.1
107.04934	3.5
109.02853	2.1
113.02345	3.1
116.07100	2.6
118.06512	2.5
119.04919	2.4
119.08572	2.5
120.08113	2.8
121.02850	2.4
121.06464	2.3
123.08058	79.7
124.08366	2.0
125.05988	1.7
125.09572	3.0
127.03872	2.2
129.05496	2.9
130.06520	5.5
130.08617	6.0
131.03418	3.0
133.06432	4.3
137.05952	5.7
141.01811	13.3
141.09097	42.9
144.06520	3.0
145.02792	2.0
146.06013	5.0
149.02335	32.2
149.05986	2.1
153.05484	4.4
157.07640	5.5
158.05968	2.8
159.02859	2.8
162.06296	2.3
163.03935	1.9
167.03380	7.3
167.07002	3.4
168.57480	1.9
173.09564	2.2
175.08769	2.3
177.05441	2.3
179.07014	9.4
180.07323	11.7
187.08656	3.8
188.07097	5.8
193.08568	2.4
194.08955	3.1
195.06459	5.0
197.08037	5.5
197.11732	29.4
198.08409	7.1
204.08748	9.8
215.12772	22.6
353.89908	1.8
373.14435	2.4
373.18762	2.7
391.15247	6.7
391.19055	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	390.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
57.03426	1.5
61.02898	1.0
67.05498	1.7
69.03422	3.2
69.07059	1.2
70.06577	5.7
71.78752	1.0
71.79148	1.0
72.08129	1.5
73.02900	1.2
79.05481	5.4
81.03411	3.0
81.07053	4.1
84.04499	1.9
84.08144	1.2
85.02892	7.7
86.09695	4.8
87.10055	1.4
91.05479	2.7
93.07011	1.3
95.04958	2.2
95.08571	4.4
96.08113	1.7
97.02899	2.7
103.05446	8.2
105.07020	46.1
106.07368	1.9
107.04974	0.9
109.02856	2.0
114.09164	2.6
115.05438	8.7
118.04159	3.8
118.06522	1.1
123.08084	3.7
124.07571	1.6
125.05890	0.9
127.03905	1.9
131.04935	2.7
133.06474	51.0
137.05984	4.9
138.09148	1.0
141.09079	1.1
143.06056	3.6
144.06564	2.0
144.08199	0.8
145.04932	1.2
146.05992	2.0
147.04378	1.5
147.08018	1.0
149.02347	1.5
149.05956	1.0
152.07048	2.3
158.08099	1.3
160.09682	1.5
161.05960	100.0
162.06340	3.5
163.03893	3.6
166.08615	1.4
167.07109	1.0
177.05511	1.3
179.07085	1.7
180.08690	2.6
188.07135	1.6
193.08580	80.8
194.08981	2.1
204.08682	3.6
210.11182	1.1
211.09642	5.7
228.12210	0.8
275.81244	0.8
385.16953	0.9
390.15729	2.7
390.24219	1.0
391.15268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.4
55.01865	1.3
55.05501	4.6
55.52280	1.2
57.03420	1.5
60.05335	1.5
61.02910	2.6
62.51280	1.1
67.05498	4.6
69.03413	5.1
69.07056	15.0
71.58481	2.7
72.08177	1.4
79.05487	5.8
81.03399	2.5
81.07034	10.2
83.08610	4.6
85.02898	18.1
91.05461	3.5
93.07035	11.4
95.08595	22.2
97.02896	5.3
97.10168	1.8
105.07011	15.1
107.08583	17.9
107.09797	1.3
109.02839	1.5
109.10162	8.3
111.08031	1.5
118.18193	1.3
119.08570	16.4
121.10122	21.9
124.95763	1.3
127.03918	4.7
131.70605	1.2
133.10109	7.2
135.11670	7.0
145.04962	6.5
145.10097	1.4
147.11676	3.5
149.13199	8.1
172.72198	1.3
175.14801	100.0
176.15097	6.1
177.16360	100.0
178.16719	4.1
193.15901	3.7
196.03133	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	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05514	1.7
57.03425	1.7
61.02901	1.9
62.23984	1.1
69.03417	4.8
69.60056	4.9
69.60493	5.3
70.06577	4.4
72.08141	3.6
73.02907	2.1
79.05502	5.3
81.03393	3.8
81.07062	2.3
82.06562	2.5
85.02901	13.4
86.09698	7.6
91.05476	5.7
95.04945	4.1
95.08588	2.4
96.08125	2.2
97.02879	4.1
97.06521	3.1
99.04446	2.3
103.05463	5.2
105.03387	6.0
105.07019	49.9
107.04938	2.3
107.08591	1.6
109.02848	1.8
109.06474	3.0
111.75041	1.2
114.05540	1.2
114.09135	2.0
115.05416	9.0
118.04156	2.8
119.04916	7.7
120.08057	1.6
121.06520	4.1
123.04462	2.8
123.08062	2.6
127.03896	6.9
131.04922	2.3
132.08142	1.4
133.06474	48.6
134.03638	1.4
134.10466	1.6
135.04401	1.4
137.05974	4.7
143.05983	2.1
145.04938	3.2
147.04388	2.6
149.02396	1.1
149.05960	4.4
151.07521	4.5
153.05455	4.1
160.09717	1.3
161.05957	100.0
162.06287	1.2
163.03900	3.5
164.65298	1.3
167.06993	5.9
168.07716	2.2
174.11218	1.4
179.07079	6.3
180.08711	2.8
181.08661	1.2
188.07057	1.3
191.07008	3.1
193.08583	72.2
197.08165	1.8
200.10938	1.3
205.08624	1.4
208.09747	4.5
210.15709	2.5
211.07617	1.8
211.09593	12.6
222.11259	2.0
228.12488	2.5
228.16724	1.7
231.14760	1.8
241.86020	1.2
286.33310	1.1
335.14749	1.3
389.70047	2.1
390.18359	16.7
390.23535	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	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03948	2.4
55.01862	0.5
57.03430	1.2
58.06597	5.4
59.61337	0.4
61.02920	0.7
65.02187	0.5
68.44395	0.4
69.03036	0.6
69.03419	10.6
69.46951	4.3
70.06594	0.9
71.04991	0.7
73.02892	0.4
78.03446	10.6
80.04987	1.8
81.03410	17.7
83.04971	0.4
84.04557	0.4
84.08125	0.6
85.02897	10.5
86.09698	0.8
87.04458	1.0
94.06517	0.5
96.04479	3.9
97.02879	4.8
97.06468	0.5
99.04449	2.5
104.16795	0.4
105.05497	1.3
106.02905	55.8
107.03234	1.0
109.02869	9.4
114.09150	4.8
118.60284	0.4
119.04922	0.6
123.06536	0.7
123.68543	0.4
124.03938	100.0
125.04324	2.4
127.03915	6.8
137.05949	0.8
140.07004	1.4
145.04973	0.8
153.05472	0.8
157.30472	0.4
163.03879	0.9
166.04974	1.7
174.11264	1.3
179.06865	0.5
180.07831	0.5
196.06013	0.8
203.74788	0.5
228.08624	0.8
228.12257	1.8
232.06035	4.1
250.07072	21.8
251.07324	0.6
258.16870	0.6
268.08130	61.6
269.05554	0.5
269.08392	1.9
349.07535	0.5
390.13766	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	390.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
53.23644	0.3
55.01861	0.4
55.05497	1.1
56.96561	2.6
57.03424	0.8
58.06594	0.3
61.02913	0.8
67.05493	0.4
67.17726	0.3
68.05020	0.5
68.15713	0.3
69.03430	2.1
70.06583	1.6
71.79174	0.4
72.08141	0.9
72.44733	0.3
73.02909	1.2
73.06554	0.8
74.06093	0.4
79.05443	0.5
81.03409	0.8
81.05783	0.4
84.04487	1.0
84.08126	1.3
85.02897	3.9
86.09687	1.0
87.04447	0.3
91.05466	1.1
93.07004	0.7
94.06553	5.9
95.07336	1.5
96.04552	0.3
96.08109	2.0
96.48347	0.3
97.02876	2.6
98.06003	0.5
98.97566	4.1
103.05421	1.0
106.02895	0.6
107.04959	0.4
109.02844	0.6
110.97561	0.5
112.07604	1.4
112.08562	0.3
114.09164	1.6
116.98614	3.3
119.01878	0.5
119.04922	1.4
121.06492	18.9
122.05997	2.4
124.03950	2.9
127.03887	1.0
127.73336	0.3
128.98589	1.1
129.10243	0.7
130.08635	1.6
131.01854	0.4
132.10228	0.5
134.99612	0.9
135.04390	0.7
137.05959	2.9
138.05443	0.8
138.09126	6.3
140.07045	100.0
141.07437	2.2
143.01889	0.6
145.04955	1.0
146.99638	0.9
147.03351	0.4
147.04395	1.8
147.05591	0.5
155.04631	3.5
158.99649	1.3
161.01242	0.4
161.02898	0.6
163.03905	0.9
164.05186	1.2
166.55446	0.5
170.03409	0.3
173.02916	0.5
173.06703	0.3
174.04436	0.9
174.11234	0.4
177.00638	1.8
179.07037	0.9
185.06616	0.5
186.04404	1.5
189.00671	0.4
191.07585	0.6
195.01714	0.5
201.00586	0.3
203.07735	0.5
204.05417	1.4
204.09166	0.4
205.04063	0.3
210.07539	0.6
212.07698	0.4
217.05347	0.4
219.01768	1.4
219.07933	1.4
219.57915	0.7
227.06874	1.3
228.08644	75.5
229.09033	2.4
231.47786	0.3
234.05727	0.8
237.02710	2.3
244.09114	0.3
245.05087	0.3
246.06453	0.7
253.03781	0.3
255.06235	0.8
258.06274	0.4
264.06592	1.1
264.11206	1.1
265.07544	0.5
268.08087	1.6
272.10211	1.4
272.60495	0.7
275.09311	0.4
293.10828	0.6
309.08478	1.1
330.08533	0.7
348.09930	0.6
349.08054	0.7
365.58713	0.4
390.25500	0.4
391.09555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05503	0.7
56.96558	2.2
57.03428	0.6
58.06600	0.4
61.02909	1.0
64.70921	0.4
66.91312	0.4
69.03422	2.2
69.29586	0.3
69.84885	2.3
70.06586	1.1
72.08127	0.6
73.02885	0.6
73.06550	0.8
81.03403	1.1
83.04949	0.6
84.04498	1.2
84.08128	1.0
85.02893	4.9
86.09690	1.4
87.04456	0.5
91.05466	0.7
93.07043	0.8
94.06547	5.5
95.04957	0.4
95.07325	1.6
96.08121	2.0
97.02864	2.6
98.97574	3.6
99.04449	0.7
103.05437	0.5
107.04940	0.4
109.02864	0.9
112.07589	0.8
114.09177	0.6
116.98607	2.1
119.04935	0.5
121.06483	9.4
122.05998	2.5
124.03940	3.2
125.98541	0.4
127.03912	1.0
128.98569	1.1
130.08612	1.4
131.98738	0.4
134.99657	0.9
137.05959	1.4
138.05424	0.8
138.09116	3.7
140.07042	100.0
141.07391	2.0
143.01865	0.8
145.04945	0.8
146.04068	0.5
146.99646	0.5
147.03227	0.4
147.04356	0.5
147.05766	0.8
148.07474	0.4
150.79190	0.3
155.04619	1.8
158.99678	1.1
161.01135	0.4
161.02895	0.5
163.03903	1.0
164.05167	1.3
165.04253	0.5
167.06985	0.7
173.02925	0.4
173.06609	0.4
174.04358	0.9
177.00714	1.4
179.06976	0.6
183.08621	0.8
185.02850	0.3
185.06549	0.4
186.04359	1.5
189.04317	0.4
198.07379	0.5
201.00725	0.4
204.05577	1.7
204.09254	0.6
210.07611	0.5
216.05443	0.4
219.01770	1.1
219.05489	0.4
219.07874	1.6
227.06715	0.8
228.08632	73.9
229.08994	1.6
236.08778	0.4
237.02795	1.5
246.06656	0.7
264.11237	1.6
268.08234	1.6
272.10086	1.4
275.09708	0.3
291.07529	0.5
293.10751	1.1
309.08560	1.5
330.08575	0.4
386.31442	0.5
390.18558	0.4
390.25107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58522	0.5
56.96557	9.3
57.03418	0.7
61.02895	1.2
69.03394	1.5
70.06562	1.1
70.48132	2.2
70.98078	2.4
71.95238	0.8
73.02879	0.8
77.71675	0.4
81.03397	0.7
84.08112	1.5
84.82865	0.5
84.96016	2.6
85.02896	3.2
86.09657	1.7
88.99113	2.0
97.02848	1.5
98.21420	0.6
98.97565	17.0
110.97551	9.5
112.99108	0.8
114.09180	2.5
116.97849	0.8
116.98605	10.1
117.01935	0.5
121.06455	2.0
123.04402	0.6
127.03864	0.9
128.98590	13.0
129.10231	0.7
130.08621	5.2
131.00122	1.6
134.99608	2.3
137.04573	0.6
137.05949	1.4
138.09039	0.7
140.07014	1.8
140.98570	1.0
143.00079	1.5
144.98058	1.4
146.99638	11.7
149.01198	0.8
154.01752	2.6
154.08586	0.6
158.99620	2.4
160.09644	1.0
161.01146	1.7
161.02875	0.6
162.99118	2.5
163.03897	1.4
164.99365	0.8
165.00673	4.5
168.03264	7.4
168.04567	0.7
170.99585	2.4
172.02805	4.6
172.08171	0.8
172.97488	0.7
173.01160	1.1
173.02826	0.6
174.99101	1.0
177.00690	3.3
186.04356	47.3
187.04645	0.9
189.00656	2.1
190.03819	0.7
190.98615	2.5
191.03848	1.3
193.00198	0.7
195.01590	0.7
198.04298	1.0
200.04292	1.2
201.00679	2.0
202.03870	0.7
204.05415	55.0
205.00116	2.9
205.05646	1.0
207.01859	0.6
209.06032	0.7
210.04359	0.9
210.07544	0.8
214.03853	0.7
216.05389	2.8
219.01727	17.2
222.06454	4.2
223.01215	3.6
227.06827	0.8
228.05386	13.7
228.07687	0.8
228.08694	1.1
232.04913	4.7
232.99655	1.5
237.02786	31.8
240.05365	1.7
242.03448	0.8
242.06950	1.1
246.06448	10.7
251.00616	0.8
252.05386	0.9
254.07066	0.6
255.03851	2.4
256.04977	1.4
258.06567	3.5
260.04272	0.7
260.07919	0.7
264.05145	0.8
270.06302	3.6
272.06491	1.6
274.06039	1.3
275.00729	0.9
276.14328	1.0
288.07321	3.8
300.05984	1.2
330.08551	100.0
331.08740	3.1
347.17242	0.6
348.09601	81.1
349.09814	2.4
371.11188	4.6
390.10632	6.4
390.14990	0.7
390.17719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
55.01849	1.3
55.05500	2.2
56.18888	0.8
56.57513	0.8
57.03413	1.6
60.05628	3.8
61.02912	1.0
63.18031	0.9
67.05476	3.0
69.03408	3.4
69.07045	2.6
69.66996	2.1
69.67417	6.1
71.01315	1.4
71.04980	18.8
72.08143	12.5
79.05470	3.1
81.03394	2.2
81.07036	1.5
83.04956	1.2
83.08651	0.9
85.02892	9.9
85.06542	4.5
91.05459	1.4
93.07018	2.3
95.08591	2.8
97.02851	1.8
97.06512	15.4
97.07621	3.3
98.06001	1.4
99.04440	57.3
105.07009	3.1
107.08577	9.8
109.06492	1.4
109.10114	3.5
113.09624	2.8
114.10276	14.4
115.08684	2.2
119.08582	1.3
121.10104	2.8
123.08074	6.3
123.11694	6.5
125.09592	2.5
131.08498	1.3
131.12918	2.6
133.10101	5.5
139.11148	2.3
143.04935	1.0
143.08528	1.4
145.04935	1.1
147.11642	1.7
149.13249	3.3
151.11136	2.3
153.09065	1.2
157.06473	2.1
157.10867	1.0
160.05167	1.3
161.05977	9.7
163.03870	24.6
165.12723	2.1
167.08511	2.2
167.10693	2.7
169.06448	1.6
169.10046	1.0
169.12141	5.1
173.05933	3.3
173.13252	3.1
175.03920	1.8
175.07578	3.1
177.05415	2.0
183.13786	21.9
184.05090	1.6
185.05923	3.4
187.07494	2.9
189.05542	5.5
189.09113	6.9
191.14290	3.8
195.07986	4.2
199.07536	1.5
203.06975	1.7
209.15344	8.3
213.05682	1.1
213.09143	7.9
215.07002	10.8
215.10551	2.2
217.08545	2.3
227.16386	51.6
228.16847	1.5
231.10165	3.4
241.08606	5.1
259.09653	9.0
292.15158	1.8
329.18555	1.7
330.16922	1.8
345.09821	1.0
372.18878	2.3
389.21765	100.0
390.21890	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03909	1.5
54.87553	1.0
55.01845	1.5
55.05491	2.8
57.03418	1.7
58.06590	15.5
61.02906	3.0
67.05474	2.8
69.03409	4.9
69.07030	3.4
71.04604	1.8
71.04978	27.5
71.16147	1.3
71.16476	2.6
72.08148	11.7
79.05466	4.2
81.03386	3.6
81.07024	3.8
83.04936	1.9
83.08607	1.9
85.02896	13.8
85.06539	8.8
91.05458	1.6
92.55009	1.0
93.07018	4.0
95.08576	5.4
97.02873	4.1
97.06516	22.0
97.07617	4.3
98.06023	3.1
99.04436	90.4
100.04782	1.4
105.06999	4.6
107.08578	10.8
109.02863	2.6
109.06484	2.7
109.10136	5.7
113.09613	4.5
114.10271	11.5
115.08675	2.9
117.86356	1.1
119.08588	1.6
121.10117	5.7
123.08055	10.6
123.11696	7.4
125.09599	4.5
127.03875	3.8
127.11237	1.2
131.04915	1.5
131.08525	1.8
131.12900	2.5
133.10081	10.9
137.09595	1.3
139.11151	3.3
141.12718	1.2
145.04967	2.5
145.10107	1.2
147.11653	3.6
149.13190	5.7
151.11172	2.3
154.33493	1.1
155.08513	1.3
157.06427	1.8
157.10872	2.0
161.02319	1.9
161.06035	7.0
163.03877	31.3
164.23955	1.3
165.12712	3.1
167.08519	1.5
167.10663	2.9
169.12244	8.2
173.02299	1.5
173.05931	2.7
173.13228	4.8
174.06721	1.3
175.03920	2.3
175.07494	1.9
181.06468	1.6
183.13788	31.7
184.14117	1.7
185.09572	2.4
187.07484	2.8
189.01811	1.1
189.09030	8.8
191.14316	5.5
195.08032	2.7
197.05968	2.2
203.07173	1.7
209.05916	2.4
209.15347	12.5
212.04712	1.5
213.05478	1.2
213.09073	3.5
215.07028	12.1
215.42940	1.3
216.04088	1.4
217.08549	1.9
226.06183	2.6
227.16373	85.9
228.16791	4.5
231.10092	1.2
241.08589	4.4
243.06549	6.2
253.04944	4.7
254.05682	15.1
259.09531	7.3
267.06488	2.3
269.08038	29.9
271.05984	2.4
285.07501	4.1
295.05908	1.8
299.09244	1.4
305.84521	1.3
313.06888	1.3
329.18469	1.9
330.07300	6.6
330.16962	1.7
341.48468	1.0
345.09641	32.9
372.19199	1.8
389.21762	100.0
390.15417	27.3
390.22018	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	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01847	1.6
55.05499	1.2
57.03421	0.9
57.07056	1.7
59.05003	0.8
65.03901	1.2
67.05499	4.6
69.03422	1.7
69.07063	1.9
71.04964	3.7
72.08138	1.9
79.05485	4.1
81.07039	2.5
83.04955	0.9
85.02888	3.4
85.06554	1.7
88.82877	0.8
91.05457	2.7
93.07027	3.1
95.04958	3.5
95.08588	3.7
97.02878	1.1
97.06524	13.5
105.07016	5.4
107.08571	6.5
109.06506	100.0
109.10145	20.2
110.06847	2.2
111.08076	1.5
114.10264	2.9
117.07037	1.7
119.08562	2.7
119.18556	0.6
121.10118	4.4
123.08063	7.3
131.08542	10.0
131.12929	1.3
133.10114	12.5
135.08040	34.8
136.08463	1.0
137.05899	1.0
139.11049	0.7
143.08546	1.3
145.04977	0.9
145.10133	2.0
147.11678	1.1
149.09595	2.1
149.13220	1.2
151.11172	0.7
153.09050	3.9
158.10851	1.1
161.02292	2.0
163.03871	8.3
173.02284	4.2
173.13239	17.3
174.45390	0.7
191.14293	63.5
192.14697	1.7
209.15349	65.3
209.35867	0.7
210.15703	1.9
215.06984	7.5
244.67839	0.7
248.19984	0.8
259.09637	10.5
382.69504	0.8
389.21793	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01860	4.4
55.05514	2.4
57.03428	1.7
57.07068	1.5
60.05634	3.3
61.02914	1.9
65.03939	1.9
67.05493	3.1
69.03420	38.0
69.07062	6.2
70.04576	2.1
70.04986	4.8
71.04978	1.3
72.08145	6.7
78.73141	1.0
79.05492	6.1
81.03419	1.9
81.07056	4.2
83.04974	2.5
83.08625	1.5
85.02901	9.8
85.06533	2.1
87.04509	1.0
91.05487	3.8
93.07053	5.2
95.04993	1.8
95.08595	7.8
97.02883	1.3
97.06523	35.7
97.07504	1.5
99.04443	1.4
103.05456	2.2
105.07027	3.7
107.04984	1.6
107.08588	10.1
109.02863	2.2
109.06518	4.6
109.10161	2.8
111.04472	1.5
111.08090	2.6
114.10290	8.9
117.07069	1.7
117.53098	0.9
119.08593	4.2
121.06510	1.9
121.10126	8.2
123.08072	4.1
123.11708	6.1
125.09619	14.9
127.03902	1.9
131.04901	2.7
131.08585	5.1
131.12930	3.7
132.07077	0.9
133.10149	4.7
135.04388	1.4
135.08051	8.6
135.11702	5.2
137.05972	5.0
139.03909	1.1
143.08527	1.0
145.02849	1.8
145.04970	1.7
145.10127	2.1
147.11613	2.1
149.05975	1.0
149.09570	5.3
149.13254	4.2
151.11226	2.3
153.09077	7.2
158.10905	2.8
159.04414	1.7
160.05101	1.4
161.02281	5.5
163.03899	17.4
163.07579	2.6
163.11200	3.1
163.14812	2.8
165.12802	3.1
167.07037	4.5
173.02321	12.8
173.13229	17.5
175.07500	2.4
177.05446	4.8
181.04947	7.7
185.05949	1.1
189.05507	1.6
189.09183	1.7
191.14290	64.0
192.14638	2.8
195.10199	0.9
209.08105	4.1
209.15347	100.0
210.15628	2.8
215.07016	22.6
217.08635	1.1
219.10272	3.0
227.16394	1.1
228.38672	0.9
244.59163	1.0
259.09650	29.8
329.18610	1.4
330.17264	1.9
339.12360	2.4
341.13828	1.3
359.14835	2.0
372.19113	3.4
379.60022	1.1
388.14871	1.3
389.21759	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	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01846	3.4
55.05497	3.1
57.07063	1.9
57.75083	1.0
65.03921	3.0
67.05507	8.0
69.03403	2.9
69.07054	6.5
71.04980	14.8
71.08205	2.6
71.08565	1.9
71.25586	1.3
72.08119	4.1
79.05487	7.5
81.03379	2.1
81.07040	9.9
82.98021	1.3
83.04964	1.4
83.08600	2.5
85.02879	4.4
85.06522	8.9
86.09687	5.8
91.05456	6.6
93.07034	11.2
95.04933	3.6
95.08593	10.8
97.02882	1.7
97.06516	27.8
103.05441	2.0
105.07025	13.6
107.04922	2.8
107.08569	17.1
109.02856	2.1
109.06511	12.2
109.10118	3.9
111.08077	5.4
111.34415	1.2
114.09090	1.4
114.10307	1.9
114.12794	23.0
117.07015	1.6
119.08559	8.6
121.06414	1.5
121.10128	26.0
122.06008	7.1
122.10435	1.3
123.04404	7.2
123.08061	3.2
124.07568	2.2
127.03889	4.1
128.06204	1.4
129.06976	1.7
131.04922	4.4
131.08540	7.0
133.10110	84.6
134.10452	2.5
135.04434	1.4
135.08015	16.7
135.11661	2.3
136.93324	1.0
137.05949	12.9
137.09633	1.4
138.06308	4.2
139.03859	5.9
140.04192	2.6
142.08603	1.2
143.08539	1.7
145.02817	2.0
145.06532	1.5
145.10085	3.9
147.04344	1.9
147.11673	18.5
149.09697	1.4
149.13223	16.1
151.03844	3.5
158.10912	2.8
161.05975	2.1
163.03893	14.8
163.07555	1.7
163.11203	1.4
163.14804	5.2
167.06996	7.5
168.07379	1.5
171.06468	1.6
173.02266	1.4
173.05972	1.5
173.13220	24.5
173.14716	1.5
175.07541	2.6
177.05447	3.5
181.04921	12.1
189.09224	1.3
191.14284	100.0
192.14618	2.9
193.08577	2.4
197.09154	2.6
207.06538	1.7
209.08046	3.2
209.15359	6.5
209.99854	1.2
215.06981	3.5
217.08585	1.5
219.10132	3.4
259.09518	10.8
262.23907	1.1
286.14502	1.7
309.11206	1.4
339.12393	1.7
358.13589	2.2
371.14938	2.9
388.14679	4.9
389.16055	7.7
389.21719	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	387.2008
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	6.2
55.01865	7.0
55.05494	8.9
57.03418	5.8
57.07067	5.1
61.02903	12.3
64.55982	3.7
67.05486	7.9
69.03420	31.5
69.07063	5.7
70.06570	4.6
71.04963	9.9
71.16235	9.3
72.08158	18.8
73.02885	5.3
79.05484	15.9
79.63291	3.4
79.71729	3.8
81.03403	15.9
81.07028	11.9
85.02889	82.5
86.09698	6.4
87.04454	8.8
91.03905	4.7
91.05466	18.6
93.07023	16.1
95.04968	8.7
95.08591	14.2
97.02879	26.7
97.06527	8.7
97.07668	5.1
99.04467	7.0
101.99786	3.4
103.05431	6.2
105.07007	30.0
107.04922	10.0
107.08578	17.0
109.02849	11.2
109.06484	13.0
109.10130	16.4
114.10252	8.3
114.12788	10.1
115.13103	5.1
117.06991	10.4
119.04934	11.2
119.08582	19.7
121.06480	12.3
121.10114	31.1
122.03596	4.7
122.05895	3.9
123.04436	8.4
123.08046	58.2
125.05960	10.0
127.03904	23.9
131.04893	4.6
131.08562	5.5
133.06468	10.7
133.10109	10.2
135.08003	8.4
135.11676	6.2
137.05965	100.0
137.09583	27.4
139.03865	3.8
143.04936	4.9
145.04930	28.8
145.06508	9.4
145.10156	9.4
147.04413	15.7
147.08035	5.4
147.11673	18.0
149.05850	4.1
149.09595	88.8
151.03839	8.2
151.07530	97.0
153.05400	4.1
157.24522	3.4
161.05945	5.8
161.13208	13.0
163.07573	5.9
163.11153	46.7
165.12721	4.4
167.07018	73.4
171.11668	10.3
173.05901	8.4
174.10400	5.3
175.03880	11.2
177.05409	7.8
180.35925	3.7
181.04979	21.7
181.08566	4.6
181.12221	37.3
187.07481	4.5
189.12735	52.4
192.08078	6.0
192.99513	3.7
193.08604	7.0
205.08603	4.8
207.06555	25.8
207.13774	94.4
220.07570	7.8
225.14807	69.1
233.08058	6.9
238.08636	6.2
240.06422	5.6
256.09708	17.0
268.09647	22.0
281.10513	8.3
282.31757	3.8
295.09677	4.6
309.15985	14.0
310.14380	54.2
339.12286	4.2
352.16547	24.2
355.15598	4.8
357.13199	8.8
369.14233	7.0
369.19174	92.0
387.14294	73.6
387.20016	91.7
388.14575	7.4
403.16406	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	387.2007
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.59024	1.7
55.05500	5.8
55.66273	1.8
57.03412	3.0
57.07066	4.3
58.71958	1.6
59.04974	2.5
65.03924	2.4
66.44204	1.9
67.05495	26.3
69.03410	8.5
69.07048	4.1
69.95632	12.2
70.06575	9.7
72.08138	2.1
73.61195	1.8
79.05478	4.0
79.65859	1.8
81.03407	5.4
81.07055	8.7
83.04961	4.2
83.08640	2.1
85.02889	16.2
85.06533	13.6
86.09696	5.0
91.05466	19.7
93.07036	10.6
95.04950	5.6
95.08592	100.0
97.02866	5.2
98.20652	2.8
99.04435	2.1
105.03380	7.4
105.07046	9.6
107.04993	2.8
107.08585	13.3
109.02859	3.5
109.06501	3.8
109.10133	6.1
109.78876	2.0
110.07162	2.0
112.02150	2.0
113.05992	15.8
117.03401	3.8
119.04924	18.4
119.08556	21.4
121.06449	3.7
121.10131	7.1
123.04411	3.0
123.08048	34.1
123.11700	5.5
127.03875	2.3
131.08553	3.0
133.10112	5.4
135.11687	17.0
137.05965	6.0
137.09628	5.2
139.08597	1.8
145.02818	8.0
145.04980	3.4
145.06326	2.3
145.10085	2.5
147.04398	14.8
147.11702	8.6
149.06004	2.1
149.09604	38.1
151.07570	4.8
151.14827	3.5
153.05464	2.6
161.13235	17.1
163.03883	3.6
163.11143	10.8
165.12776	9.1
167.06987	12.8
175.03899	26.4
177.05409	10.5
177.25519	1.9
178.35750	2.2
179.07095	4.4
179.14314	5.3
181.04973	3.5
189.12679	21.7
195.13774	2.1
207.06488	53.2
207.13777	89.1
208.06773	2.6
225.14897	5.0
315.20795	1.8
387.15796	5.6
387.20639	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.05503	3.7
56.35946	2.1
57.02171	2.2
57.03424	3.2
57.07056	4.5
61.94896	2.3
64.58051	2.3
67.05179	2.6
67.05503	24.0
69.03408	6.2
69.07055	2.4
70.06581	6.2
70.94403	6.8
79.05481	3.6
81.03432	4.4
81.07061	11.2
83.04939	3.1
83.08614	2.8
85.02897	14.1
85.06555	15.1
86.09692	3.6
86.27448	2.3
91.05479	13.6
93.07022	9.3
95.04952	6.8
95.08598	100.0
105.03413	2.6
105.07018	9.3
107.04942	2.3
107.08594	11.5
109.06532	3.5
109.10159	3.1
113.06000	17.5
119.04933	17.6
119.08555	16.1
121.06496	3.2
121.10136	9.0
123.04408	3.0
123.08060	35.6
123.11698	9.8
125.05972	3.5
133.10138	3.4
135.11665	10.2
137.05988	3.4
137.09566	2.5
147.04399	13.9
147.11673	10.7
149.09605	45.1
151.07565	6.2
151.14796	4.0
161.09633	3.0
161.13237	12.9
163.11198	8.8
165.12717	9.9
167.06990	7.9
171.11617	2.6
174.10423	2.4
175.03902	22.3
179.07039	3.0
179.14255	4.5
181.08496	2.7
189.12730	19.3
207.06508	56.4
207.13802	91.2
208.06900	2.6
225.14789	4.2
227.27448	2.3
351.10626	3.9
351.17749	2.8
391.31348	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.143
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03928	0.8
53.26804	0.3
55.01857	0.8
65.03925	2.4
67.05486	1.2
69.03411	0.8
69.07060	0.5
71.04962	0.6
72.08145	0.5
73.92484	0.3
77.03932	0.4
79.05480	1.9
81.03417	0.3
81.07013	1.2
82.04166	0.6
85.02895	1.8
91.05465	2.9
93.07019	1.0
94.04183	2.1
95.04931	1.3
95.08588	0.5
96.37289	0.3
97.02928	0.3
97.06516	1.7
98.20636	0.6
103.05458	3.7
105.07021	1.2
107.04942	1.6
107.08549	0.5
108.02055	0.5
109.06510	1.5
109.10138	0.7
110.03637	1.1
111.04416	0.9
111.08112	0.4
115.05417	2.3
117.06992	2.5
118.04103	0.7
119.04951	1.9
119.08592	0.6
121.06499	0.6
121.10143	0.5
122.03626	7.7
123.04436	1.8
124.05200	0.7
125.05974	0.7
127.03934	0.4
129.06990	0.4
130.04131	0.6
131.04912	4.2
131.08521	0.4
133.02829	0.5
133.06448	1.0
133.10030	0.7
135.08043	0.9
137.05954	100.0
138.03093	0.6
138.06316	2.7
139.03899	2.5
141.05487	0.5
142.02617	0.4
143.04903	3.2
145.06451	3.5
147.04420	1.6
148.05173	1.9
149.05966	1.0
151.03888	10.1
151.04961	0.7
152.04425	0.4
153.05443	0.9
155.06000	0.9
159.11809	0.4
161.05994	0.7
161.13225	0.4
163.03879	0.6
163.07532	3.5
165.05435	0.5
165.09200	0.3
167.07014	16.2
168.07347	0.4
171.06512	1.9
173.05949	3.8
173.13248	0.4
175.03899	2.1
175.07506	1.5
176.04558	0.5
177.05525	0.8
179.06958	0.6
181.04933	27.9
182.05276	1.0
187.07553	0.8
189.09062	0.5
191.07005	11.2
191.14336	0.6
193.08543	0.6
203.07072	1.9
205.08504	2.4
207.06474	4.5
207.13800	0.5
209.08015	0.6
209.15302	0.8
219.10124	1.0
225.14809	0.5
233.08041	1.5
235.09610	2.0
239.11734	0.5
249.08977	0.5
271.06134	0.6
277.08459	0.4
295.09848	0.7
297.11511	0.4
314.11349	0.3
325.10498	0.5
327.12698	1.8
337.10654	0.7
341.13870	0.4
351.12103	1.5
355.11960	0.8
357.13297	10.9
358.13812	0.7
369.13235	1.5
387.14386	36.0
388.14877	2.9
393.69333	0.3
406.30142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03938	0.4
53.71738	0.3
55.01859	0.7
55.05489	0.3
55.79477	0.3
55.79757	0.3
58.06560	0.3
65.03922	1.5
66.04711	0.4
67.05494	1.0
68.37304	0.3
69.03401	0.8
70.12816	0.7
70.13208	0.7
71.04997	0.3
74.03977	0.2
78.02116	0.3
79.05482	1.3
81.03423	0.7
81.07034	0.6
85.02895	1.2
91.05470	1.7
93.03377	0.5
93.07053	0.3
94.04181	2.4
95.04955	1.1
95.08601	0.5
97.06525	0.9
101.41906	0.3
103.05450	3.3
105.07009	1.0
107.05001	1.6
107.08578	0.4
109.06499	1.1
109.10111	0.3
110.03637	1.0
111.04379	0.4
115.05432	2.0
117.07005	1.6
118.04121	0.7
118.86186	0.3
119.04938	0.9
119.08589	0.3
120.54446	0.2
121.10128	0.3
122.03636	7.2
123.04408	0.6
123.08044	0.8
125.05991	1.0
131.04915	2.8
131.08350	0.2
133.02850	0.4
133.06442	0.4
133.10109	0.4
135.08054	0.4
137.05959	100.0
138.06302	2.4
139.03883	1.3
139.28195	0.3
141.05402	0.7
141.06975	0.3
142.02596	0.3
143.04903	2.7
145.06459	2.7
146.03596	0.4
147.04425	0.3
147.11623	0.3
148.05180	1.7
151.03885	10.8
151.04955	0.7
152.04279	0.5
153.05492	0.5
155.06023	0.3
161.05977	0.8
163.03909	0.5
163.07515	3.4
165.05414	0.4
167.07024	9.8
168.07518	0.3
171.04427	0.3
171.06480	1.4
173.05975	3.1
175.03894	0.3
175.07553	1.5
176.04724	0.6
181.04939	22.9
182.05264	0.7
187.07527	0.5
189.09084	0.5
189.16391	0.4
191.05287	0.6
191.07014	12.5
191.14337	1.1
192.07516	0.4
193.08641	0.4
195.06454	0.3
203.06914	1.6
205.08586	2.7
207.06555	1.1
209.08075	0.6
219.10161	0.7
233.08061	1.0
235.09610	2.3
237.05728	0.3
251.07140	0.4
263.09235	0.6
299.09152	0.4
305.07913	0.3
309.11099	0.4
314.11404	0.3
337.10709	0.3
351.12250	1.4
355.11694	0.6
357.13306	12.2
358.13647	1.0
369.13263	1.4
387.14352	39.8
388.14682	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	387.1278
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.03930	0.6
55.01851	0.5
57.03412	0.3
59.19960	0.2
61.02903	0.6
66.94913	0.2
69.03417	2.0
69.69917	0.2
69.70258	1.7
70.06557	0.5
71.04986	0.2
72.08131	0.5
73.02895	0.4
77.03974	0.2
77.62457	0.2
78.04696	1.2
79.05473	1.3
79.20833	0.2
81.03397	0.9
81.07034	0.6
85.02890	3.9
86.09691	0.9
87.04436	0.4
91.05473	1.3
93.07044	1.1
95.01306	1.5
95.04955	1.4
95.08559	0.2
97.02332	0.2
97.02863	1.5
98.20681	0.4
99.04437	0.5
103.05441	0.7
105.07014	1.3
106.02915	0.2
106.04169	1.0
107.04931	1.4
107.08572	0.6
109.02827	0.5
109.06461	0.6
115.05412	0.3
116.07060	0.5
118.27242	0.2
119.04912	0.4
119.08585	0.3
121.06482	1.1
121.10110	0.3
122.03614	0.3
123.04409	4.1
123.08068	0.4
124.03928	0.3
124.05199	1.3
125.05999	0.3
127.03890	0.9
129.01784	0.2
133.06468	1.2
135.04369	0.2
135.11653	0.3
136.03891	0.2
137.05908	0.9
139.07594	0.2
141.01787	0.6
145.02798	0.4
145.04927	0.5
145.10120	0.3
147.04376	0.4
147.11679	0.2
149.05951	1.8
151.03865	0.8
151.07492	1.1
152.04637	1.6
153.09047	0.3
161.05943	1.1
163.03912	0.4
163.11177	1.7
165.05496	0.3
166.06271	0.4
167.07007	100.0
168.07349	2.1
177.04005	0.3
177.05385	1.1
179.06999	0.6
181.08557	1.6
181.12213	0.6
185.52565	0.2
189.12750	0.4
193.04910	0.6
193.08571	4.0
194.08998	0.3
207.06520	0.7
207.13728	1.5
209.08028	1.6
211.09613	4.2
213.16013	0.3
225.07576	1.2
225.14845	0.7
268.08304	0.4
369.19324	0.4
387.12491	0.3
387.16272	0.3
387.20352	0.4
394.65869	0.2
400.64487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1279
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
53.03922	1.5
57.03434	0.8
65.03922	1.5
67.05482	1.3
69.03413	1.6
70.06580	1.0
70.15061	2.3
70.15468	1.4
73.43248	0.6
81.03393	2.7
81.07030	1.7
85.02896	5.1
86.09665	1.1
89.03873	0.7
91.04910	1.3
91.05463	18.9
93.06994	0.8
95.04958	1.2
95.08599	1.0
97.02883	1.0
99.04434	0.9
105.07037	1.1
107.04953	0.7
107.88936	0.7
109.02828	1.2
119.04923	33.4
119.08539	1.0
121.10103	1.1
123.11666	3.0
125.05984	1.2
127.03842	1.3
131.47089	0.7
132.02051	0.9
135.04349	1.1
145.02821	1.7
147.04388	27.5
149.02342	1.2
151.03877	1.0
151.07521	1.4
157.03929	2.6
164.04594	1.1
167.07027	2.2
175.03883	44.3
176.04312	1.2
177.05530	1.3
177.06995	0.6
177.20259	0.8
179.07033	2.8
186.02068	0.7
189.12793	1.8
190.12996	0.8
207.06497	100.0
207.13791	3.2
208.06815	2.6
208.14099	1.5
225.07535	1.3
225.14799	3.6
351.10608	3.4
369.11801	2.9
369.19189	0.9
387.20084	5.0
411.01529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
53.08612	0.8
55.01860	1.3
55.05484	2.1
56.74778	0.8
57.03422	2.9
57.95170	1.0
60.62191	0.9
61.02898	1.3
66.50215	0.9
67.05489	2.9
69.03417	9.6
69.07054	2.5
69.26967	0.9
70.06592	8.9
71.04970	2.3
71.08207	2.1
71.08540	1.7
72.08140	3.7
76.02196	1.5
76.03993	1.2
76.67311	0.9
79.05463	4.9
81.03410	4.8
81.07053	6.7
83.04964	1.9
84.04485	2.6
84.08130	2.1
85.02895	39.4
85.06507	0.9
86.09692	14.1
87.04432	1.1
89.03909	8.5
91.05482	4.9
93.07025	3.1
95.04952	7.5
95.08583	5.6
97.02902	5.1
97.06509	1.7
99.04449	4.2
99.08078	1.2
100.40738	1.0
105.03381	58.6
105.07020	5.1
106.03715	1.3
107.04944	2.6
107.08584	3.1
109.02856	2.5
109.06506	2.3
109.10172	7.7
111.04449	1.7
111.08047	1.4
112.76484	0.9
113.02352	1.2
114.10271	1.1
114.12812	1.8
117.03358	22.8
117.07005	2.6
119.04947	1.6
119.08548	7.6
121.06508	1.9
121.10142	5.6
123.04407	4.0
123.08062	3.5
123.11691	19.6
125.05982	13.4
127.03870	5.0
129.07004	1.0
129.10190	2.2
130.05054	1.0
131.04883	1.1
131.08559	1.7
133.06445	1.2
133.10112	2.9
134.03592	1.3
135.04402	2.8
135.08067	1.0
135.10692	0.9
135.11667	4.4
137.05983	4.4
137.09654	1.2
137.10657	0.8
139.03857	1.3
139.07578	2.2
142.03159	1.1
142.36191	0.9
145.02831	52.5
145.06433	1.5
145.10101	2.6
146.03137	2.3
147.04370	1.6
147.08035	1.2
147.11655	6.1
149.05960	10.1
149.09512	4.5
151.03923	2.1
151.07533	4.7
153.05518	1.5
161.05971	1.1
161.13216	4.8
163.03926	2.0
163.11148	1.5
167.07039	9.6
171.11665	1.6
174.10349	1.3
175.03828	1.4
177.05450	100.0
178.05759	2.7
179.04796	1.0
179.07014	20.7
181.04932	1.9
181.12123	1.3
183.14870	1.7
186.05466	2.0
187.07570	1.8
189.12723	8.4
191.06905	1.2
193.08618	1.9
197.08096	6.7
199.18088	1.3
201.05359	1.7
203.07059	1.1
207.06467	5.0
207.13777	27.1
215.06921	1.0
225.14851	24.6
232.00711	1.0
233.05934	1.0
233.08060	1.9
235.07310	1.1
263.07159	1.2
286.17725	1.3
295.09372	1.0
317.39862	1.2
327.12283	1.1
333.16769	2.6
343.08255	1.2
345.43793	0.9
351.17935	7.2
355.11536	1.2
369.13519	2.3
369.19202	3.7
387.14322	6.4
387.20059	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	386.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45829	1.2
55.05499	7.2
57.03433	2.2
57.07072	12.6
61.02920	2.1
67.05495	4.5
69.03411	5.9
69.07052	3.1
70.06577	5.6
71.05006	1.4
71.79707	1.8
72.08140	9.3
73.02895	1.4
73.06573	1.2
79.05484	5.5
81.03408	5.5
81.07037	8.4
82.02006	1.2
83.04961	1.7
83.08611	4.5
85.02892	18.0
85.06541	1.3
86.09694	1.9
89.06016	54.0
90.06342	1.4
91.05479	4.3
93.07036	6.8
95.04948	3.6
95.08593	4.6
96.08125	2.9
97.02876	7.6
97.06503	3.4
97.07650	3.0
99.04435	2.0
101.09628	7.5
105.07021	5.2
107.04934	3.2
107.07016	1.8
107.08580	3.3
109.02882	3.7
109.06522	2.8
109.10148	2.3
114.09154	5.9
114.10263	9.9
117.07002	2.2
119.08584	3.6
121.06487	2.3
121.10127	7.3
123.08041	6.2
124.04018	1.5
127.03895	4.6
129.07002	2.2
131.08537	1.7
133.02719	1.3
133.06491	1.2
133.08597	16.4
133.10104	2.1
135.04373	1.5
135.08044	2.3
135.11681	3.4
137.02414	1.4
137.05974	8.9
139.03899	3.9
141.06902	1.4
145.04941	4.1
145.06567	2.6
145.10147	3.8
145.12213	9.5
147.04379	2.6
147.11678	2.6
149.05969	1.4
149.09619	2.5
151.03896	5.3
151.07596	3.2
151.09622	22.1
160.09680	3.7
161.05992	1.4
163.03906	3.3
163.07489	1.7
163.11151	7.0
167.07011	6.8
177.05490	1.4
181.04919	2.3
181.12184	3.9
191.10736	1.7
193.12219	5.1
201.05501	2.1
202.05811	2.6
207.06531	2.2
207.13864	6.1
207.15868	100.0
208.16270	3.7
211.07616	2.1
211.13274	3.5
216.01082	1.4
219.10056	5.9
220.00410	1.8
224.12863	2.1
225.14873	4.3
231.00897	4.5
231.08908	1.4
232.00533	27.4
259.99963	5.8
271.06058	1.3
273.11264	1.2
274.10632	2.0
278.01050	5.3
290.13690	2.4
300.15848	2.5
315.04977	4.8
328.15329	7.5
351.17654	1.1
357.73044	1.4
359.20770	2.5
370.17578	1.6
386.16422	2.3
386.21591	17.7
387.07016	2.1
387.14563	6.5
387.20270	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	385.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.6
61.02923	3.5
69.03413	6.0
69.86987	7.1
69.87393	13.6
71.05018	3.5
73.02901	4.3
85.02908	19.0
97.02890	8.5
97.20812	2.8
97.40186	3.0
98.21374	3.7
98.97580	6.9
102.65048	3.0
110.85963	3.7
114.09146	5.4
116.98545	4.1
119.01877	6.8
127.03906	8.7
131.01888	4.0
137.05823	2.9
139.71368	3.3
143.01906	7.9
145.01675	7.5
145.04944	6.2
153.10127	2.9
160.09669	4.5
161.02977	5.3
163.02701	9.4
173.03029	5.5
175.02785	3.2
177.00795	3.3
177.33328	3.6
184.83037	3.2
200.04503	3.3
205.04254	6.5
231.37494	3.0
265.05811	7.7
286.07132	7.1
286.57208	3.3
306.25079	3.5
385.08826	100.0
386.08957	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	385.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01849	2.2
57.03411	1.1
59.89777	0.7
61.02911	2.4
65.03934	0.8
69.03413	2.1
69.07043	1.0
69.74718	5.9
70.06576	2.9
73.02891	0.8
79.05483	6.3
81.03398	1.1
83.01318	2.1
85.02883	3.5
89.06007	2.9
91.05466	3.1
95.01305	0.9
95.04951	5.9
97.02857	3.2
103.05444	5.5
105.07013	51.2
106.07339	1.9
107.04935	4.1
109.02908	1.3
110.07151	0.7
111.04411	1.2
111.75555	0.8
113.02388	1.2
115.03930	1.2
115.05433	11.0
117.06993	3.5
118.04137	4.0
119.04934	1.4
119.45150	0.8
123.04430	4.3
124.05166	0.9
125.02341	1.4
127.03893	2.5
129.06946	1.3
131.04916	3.5
132.05647	1.6
133.06471	54.7
134.06810	1.6
135.08046	0.9
135.61009	0.7
139.03844	1.0
140.04654	2.7
143.04988	1.9
143.06023	3.3
144.05609	0.9
145.06480	6.0
147.04408	1.4
147.08043	1.8
151.03867	3.4
155.04881	0.9
155.07045	4.7
157.05029	0.8
157.06470	2.1
158.03566	0.9
159.04347	1.2
159.08008	1.4
160.05127	1.7
161.05957	100.0
162.06326	3.7
163.07544	0.9
167.07019	25.7
169.04948	0.9
173.06018	4.0
175.03860	3.2
175.06010	2.8
175.07500	3.1
177.05409	1.6
179.06964	1.5
181.04942	2.3
183.06477	3.1
184.05157	1.1
185.06013	1.0
186.03140	1.0
187.03841	1.3
189.05466	2.6
190.06274	2.1
191.07068	2.7
192.07784	1.8
193.08575	68.9
194.08913	2.3
200.04729	0.8
201.05426	4.0
203.07066	2.2
204.04198	0.8
205.04784	1.0
205.08643	5.5
207.06528	8.0
207.10014	1.1
213.05460	1.1
215.06940	1.6
217.04883	2.0
217.08432	0.8
219.06526	4.4
220.07127	1.4
221.08093	4.0
223.09583	1.1
227.07074	0.8
229.04950	2.3
231.06561	5.0
232.07187	1.1
233.04433	6.0
233.08009	4.3
234.08928	1.6
235.09686	1.2
243.06441	1.2
245.08017	1.8
247.06133	1.5
247.09500	0.9
249.07623	2.3
251.09119	27.4
252.07269	1.3
252.09521	1.2
253.07587	1.6
257.04333	0.9
257.07895	1.0
259.09546	1.1
260.06912	1.0
261.07562	11.9
263.09143	3.2
270.87595	0.8
273.07266	1.0
275.09067	5.2
277.07043	2.0
279.08609	2.2
285.07266	0.8
287.08942	1.1
289.07068	2.3
293.10165	3.0
301.06766	1.0
303.08725	1.0
305.10025	1.9
307.08099	6.5
319.08191	1.6
325.09186	1.0
349.09085	1.2
367.10187	2.6
385.11768	1.9
385.25204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63044	0.3
56.96293	0.4
56.96553	4.6
57.97324	0.2
59.95375	0.2
60.44703	0.2
71.12368	0.2
71.12685	0.6
71.19488	0.2
71.95238	0.5
85.60580	0.3
98.97564	27.3
99.97908	0.5
100.97174	0.5
100.97990	0.6
101.00851	0.4
116.98600	32.9
117.98941	0.9
118.98180	0.4
118.98998	0.4
119.01891	5.3
134.99635	30.8
135.99979	0.8
136.99165	0.5
137.00081	0.6
137.02942	2.1
140.00165	1.1
153.00694	6.3
154.00995	0.4
158.01251	1.7
158.99887	0.7
161.65569	0.3
165.99646	0.3
174.97673	0.4
176.02293	0.3
177.00928	13.5
178.00940	1.3
182.99959	0.7
192.98825	0.3
193.04051	0.3
195.02084	0.4
201.00945	0.9
216.98669	1.1
217.04086	2.6
219.01965	24.0
220.02074	2.9
221.01709	0.5
225.00783	2.4
226.00963	0.4
234.99728	3.0
235.99884	0.5
236.99634	1.0
237.99886	0.4
240.98627	1.3
241.98897	0.4
242.03625	0.6
242.98308	1.4
243.01921	7.0
244.02138	1.0
252.97536	0.2
253.00861	0.4
258.99741	14.1
259.99930	3.9
260.99707	13.5
261.03003	100.0
262.00342	0.6
262.03165	13.2
263.03052	0.8
266.03607	0.4
267.13235	0.2
274.97662	0.6
275.04611	0.3
277.00790	26.1
278.00955	6.9
279.00571	26.5
280.00919	1.3
282.01373	0.8
282.99835	2.3
284.00815	1.0
284.04633	4.6
284.07605	0.4
284.96805	0.2
284.99869	1.1
285.04758	0.8
292.98734	0.5
297.01486	0.3
300.02316	1.5
301.00925	4.2
302.01831	2.6
302.97382	0.4
303.00699	2.2
303.03827	0.3
304.01111	0.3
318.98730	0.7
319.98764	0.8
320.98483	0.4
321.01950	0.3
324.02563	0.3
325.00900	0.3
343.02197	2.2
343.98691	0.5
344.02307	0.5
345.01941	0.3
360.99557	0.4
361.27319	0.2
361.99783	1.2
362.03607	0.3
367.02094	2.3
368.02261	0.4
379.98636	0.5
385.03247	17.0
386.03369	3.7
403.04681	18.5
404.04767	4.3
408.04749	1.3
409.05341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.05486	1.5
56.05010	0.9
57.03412	1.2
57.07090	0.9
57.60331	0.9
59.04987	0.9
61.02902	1.5
61.55940	0.8
67.05482	3.2
69.03402	3.5
69.07049	6.2
70.06591	4.9
71.04980	11.9
71.78606	0.9
71.84544	0.9
79.05491	5.7
80.18770	0.8
81.03378	2.6
81.07043	42.3
81.07531	2.1
83.04968	2.4
83.06088	2.8
83.40200	0.8
84.04478	1.2
84.08101	1.1
85.02896	11.1
85.06534	1.1
86.09660	1.4
89.06019	1.2
91.05479	1.2
93.04476	1.1
93.07018	2.7
95.04926	1.5
95.06065	3.2
95.08588	1.7
97.02860	2.9
97.06494	3.5
99.04456	1.4
99.08087	1.9
105.06990	2.0
107.08588	6.8
109.02850	1.4
109.06471	2.7
109.10147	9.5
110.07143	16.3
111.08066	1.5
111.11713	6.1
112.08706	1.1
114.98582	0.9
121.10098	2.5
123.11683	13.6
127.03908	2.0
127.07529	1.5
133.10114	2.3
135.04424	1.3
139.11142	6.7
140.89484	0.8
145.04973	1.7
151.11154	17.1
156.07674	2.2
157.12210	11.8
161.05965	2.0
163.03914	1.2
167.06966	1.0
169.10739	1.1
169.12219	23.0
187.13266	100.0
188.13568	2.2
205.14337	11.9
210.05765	1.1
238.05286	5.9
293.18512	0.9
338.20667	8.1
349.18463	2.7
356.26077	0.8
359.63901	0.9
384.16296	1.4
384.21268	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	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40559	0.5
57.03424	5.8
60.45950	0.5
69.03414	0.8
70.05093	1.7
70.05517	1.7
70.41131	0.5
71.01340	0.9
71.08621	47.7
72.08963	0.5
73.02892	1.9
75.04456	2.4
78.94089	0.5
82.88859	0.5
85.02891	8.5
89.06003	1.4
95.01316	6.4
97.02896	0.6
99.00794	0.9
99.08083	57.3
101.02353	0.9
103.03951	0.7
113.02369	4.2
113.80787	0.7
117.09129	9.0
126.98119	0.6
131.03378	1.8
137.05959	0.9
141.01814	14.3
151.03699	0.7
159.02829	2.2
173.11714	100.0
174.12057	2.9
191.12764	57.0
192.13129	1.9
201.05467	0.8
217.09044	0.5
257.10312	0.8
331.13797	2.1
349.14673	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	384.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
57.03426	7.9
63.31682	0.6
67.05480	0.8
69.03436	1.3
70.00919	0.6
70.06572	2.1
70.12032	0.5
71.01160	1.9
71.08619	45.7
72.08132	1.7
73.02891	2.0
75.04463	2.5
79.05471	0.6
81.07025	2.4
85.02882	6.5
85.06499	0.7
86.09702	1.4
87.04446	1.4
89.05994	2.7
91.05463	3.5
92.05782	1.4
93.07038	0.7
95.01302	3.2
97.02869	2.0
97.06525	0.9
99.08080	48.3
103.03897	0.9
105.06988	0.7
105.94496	0.6
107.04913	1.0
109.06487	0.7
110.07137	0.6
113.02347	1.5
114.23033	0.6
117.09103	8.6
121.02857	0.7
123.04499	0.5
127.03904	0.6
131.03380	1.0
137.05952	4.9
138.01778	0.8
139.03894	2.5
141.01793	7.8
159.02872	1.1
163.03856	0.8
167.06996	1.3
173.11713	100.0
174.12056	2.7
187.07521	0.7
191.12766	36.2
192.13153	1.0
194.08977	0.8
201.05505	2.1
202.15884	2.3
301.97510	0.6
323.09018	0.7
349.14911	6.2
369.89059	0.7
384.20868	0.8
385.12683	1.2
385.17816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01865	1.3
55.05489	4.9
57.07058	1.9
59.04993	1.1
67.05491	14.7
69.03398	1.7
69.07066	9.5
69.57301	11.1
79.05484	8.7
81.07042	30.6
83.08593	4.4
85.06496	1.5
91.05460	14.1
93.07024	26.7
95.04945	1.9
95.08589	29.7
97.06451	1.3
97.10154	2.8
105.07012	100.0
106.07338	2.5
107.08575	27.1
109.06481	1.6
109.10149	19.2
111.08099	2.0
117.06999	1.8
119.08559	55.7
120.08843	1.3
121.10130	17.1
123.11674	5.6
123.51244	1.3
129.06972	1.3
131.08517	4.4
133.10104	16.4
134.90028	1.2
135.08041	1.3
135.11667	15.0
137.09549	1.9
137.13211	3.3
143.08508	1.9
145.10098	10.4
147.04417	2.7
147.11668	13.9
149.13225	11.9
151.14702	1.4
157.10094	2.1
159.11688	9.2
161.13229	80.5
162.13577	2.0
163.14780	9.7
173.11810	1.5
173.13255	4.3
175.14792	26.1
177.16383	2.9
179.14288	3.8
185.13173	1.4
187.14767	5.5
189.16307	6.8
191.17896	15.9
201.16359	3.2
203.17886	7.8
207.17441	2.6
213.16333	2.1
215.17853	1.4
217.19485	2.4
229.19452	1.4
241.05499	1.5
243.21115	1.7
257.22586	1.8
365.32010	7.8
383.24991	2.4
383.33188	37.2
384.33548	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	383.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05496	4.7
57.07049	1.8
58.46983	0.9
67.05502	10.8
69.07060	8.9
78.51621	0.7
79.05470	8.3
81.07044	25.1
83.08617	3.5
85.06544	1.0
91.05463	11.9
93.07032	19.6
95.04987	1.1
95.07986	1.4
95.08597	26.2
97.06490	1.0
97.10144	2.1
105.07018	100.0
106.07367	1.6
107.07891	1.7
107.08581	24.3
109.10135	11.3
117.06970	2.1
117.96805	0.8
119.08566	54.4
120.08919	1.7
121.10133	12.6
123.08091	0.8
123.11678	5.6
131.08549	4.7
133.10124	17.6
135.07979	1.1
135.11681	16.6
137.13245	3.0
143.08543	0.9
144.09392	1.0
145.10106	4.0
147.11665	14.0
149.09612	0.9
149.13237	6.9
157.10117	2.0
159.11696	9.3
161.13240	84.7
162.13586	3.2
163.14795	10.2
173.13277	3.7
175.14822	23.8
177.16425	3.0
179.14313	3.5
185.13112	0.8
187.14815	4.3
189.16379	5.7
191.17906	14.8
199.14574	0.9
201.16388	3.4
203.17972	5.1
205.15771	1.2
207.17468	1.9
213.16469	1.5
215.17932	1.9
217.19585	2.0
219.17506	1.0
229.19545	1.4
229.57089	0.9
233.18883	1.0
243.21039	1.0
257.22604	0.9
286.87195	1.0
365.31937	7.6
383.33066	39.8
384.33429	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03947	3.6
55.01845	3.0
55.05507	15.9
57.07061	11.3
59.04986	5.7
67.05496	43.9
69.03416	11.7
69.07054	12.1
70.24576	1.9
71.04979	7.3
73.82082	1.9
74.05592	1.8
79.05479	27.6
81.07048	41.7
83.04967	6.5
83.08610	8.2
85.06523	7.2
91.05469	39.2
92.06274	2.4
93.07032	100.0
94.63892	2.4
95.04955	24.1
95.08596	47.7
96.08901	2.5
97.06502	15.2
98.20631	4.9
103.05444	4.4
105.07019	77.1
105.07712	4.6
107.04914	2.7
107.08578	63.3
109.06504	18.4
109.10141	33.1
109.10855	2.3
111.08080	12.0
111.08699	2.0
115.05386	3.6
117.07028	9.7
119.05004	2.0
119.08564	60.0
121.06506	10.1
121.10129	52.4
123.08062	24.6
123.11720	11.5
125.09618	2.7
128.06200	6.9
129.07005	13.9
130.07774	3.8
131.08551	32.9
133.06470	6.0
133.10109	37.0
135.08026	20.2
135.11679	17.4
137.05962	3.5
137.09558	10.7
137.13268	9.0
141.06998	3.2
142.07767	14.6
143.08556	25.7
144.09378	5.7
145.10112	43.6
146.07355	2.6
147.08025	23.6
147.11658	18.9
149.09599	17.5
149.13245	29.0
151.07545	25.6
155.08551	9.4
156.09341	6.3
157.10118	36.0
158.10739	2.8
159.08058	7.2
159.11682	21.4
160.08752	2.7
161.09631	15.5
161.13228	13.7
163.11162	5.1
163.14836	8.5
165.09081	29.8
167.08591	3.9
168.09360	2.7
169.10074	6.7
170.10944	4.2
171.11670	9.2
172.08807	2.4
173.09592	7.6
173.11777	4.2
173.13141	12.1
175.11150	20.0
175.14767	17.1
177.09076	9.2
177.16292	3.2
179.08450	3.3
179.10605	2.7
179.14224	2.7
181.10202	2.7
181.12259	3.3
183.11682	9.7
185.09676	3.0
185.13234	15.1
187.11206	6.5
187.14816	10.6
189.12735	9.6
189.16400	5.6
191.14253	3.6
191.17941	3.5
193.10106	2.5
194.10921	2.4
195.11694	4.4
196.08031	2.1
197.13229	7.1
199.14870	6.0
201.12740	6.5
201.16412	10.3
203.14301	20.3
203.17990	2.0
207.13773	8.3
209.13316	4.7
209.15373	6.3
211.11128	2.8
211.14835	3.7
213.12750	2.3
213.16412	3.6
215.14381	10.5
221.13388	3.0
221.15332	64.8
223.14873	3.0
225.16295	2.8
227.14273	5.0
229.54199	2.6
231.13841	4.0
233.13084	2.4
233.15318	6.3
234.16176	7.8
241.15730	2.5
254.00995	2.2
271.16891	3.3
281.19000	3.8
286.19247	3.1
287.20139	6.3
299.20062	4.9
303.19641	4.0
337.29044	3.2
365.24594	12.0
365.28488	12.8
383.11377	2.6
383.25565	60.2
383.29532	52.7
384.25757	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03930	3.7
54.48603	1.8
55.01844	2.9
55.05505	13.3
57.07053	6.4
57.42265	2.0
67.05499	29.0
69.03411	9.4
69.07059	14.1
69.57944	6.7
69.58361	14.7
71.04974	8.0
79.05479	26.3
81.07053	35.1
83.04961	4.5
83.08589	6.0
85.06509	4.7
91.05468	40.8
92.05824	2.0
93.07037	84.6
95.04946	30.1
95.08595	39.4
97.06518	15.0
97.09176	1.9
98.10098	2.1
103.05436	2.1
105.07017	68.9
107.04929	4.1
107.08581	53.8
109.06493	24.2
109.10142	24.9
111.08062	10.0
115.05459	3.8
117.07004	11.4
119.08569	54.8
120.09375	3.8
121.06496	10.0
121.10130	48.1
123.08044	25.9
123.11703	5.3
123.73370	2.1
125.09617	3.8
128.06221	8.7
129.06970	11.7
130.07745	4.8
131.08530	23.9
133.06500	5.2
133.10117	31.7
135.08025	20.9
135.11676	10.1
137.09590	8.8
137.13211	5.2
141.06989	4.4
142.07799	14.7
143.08540	21.2
144.09297	6.3
145.06380	2.3
145.10095	32.9
147.08040	18.0
147.11679	20.3
148.08768	2.3
149.09616	21.2
149.13232	15.0
151.07523	30.3
153.09088	4.8
155.08565	7.5
156.09305	4.0
157.10114	35.7
158.10710	2.7
159.08040	8.4
159.11697	17.8
161.09595	21.8
161.13248	16.2
163.11171	6.3
163.14784	5.2
165.07028	2.4
165.09106	26.8
167.08528	2.7
169.10083	6.3
170.10855	3.2
171.11629	10.2
173.09612	8.7
173.13234	9.7
175.11154	18.2
175.14844	12.4
175.16132	2.5
177.09116	10.8
181.10068	3.8
183.11685	5.0
185.09569	2.5
185.13234	21.4
187.11137	4.8
187.14780	7.1
189.12715	9.5
189.16339	4.0
191.14275	3.5
191.17941	4.1
194.10880	2.6
195.11685	6.2
196.12480	2.5
197.13200	9.3
199.11131	2.9
199.14796	6.5
201.12688	5.8
201.16380	9.0
202.13225	2.1
203.14297	24.2
203.17967	2.8
207.13803	10.0
209.13438	3.9
209.15305	5.0
211.14751	2.9
213.12659	4.5
213.16272	3.6
215.14244	8.7
216.14925	3.1
219.13708	5.2
221.13231	4.8
221.15343	71.0
223.14784	2.9
227.14258	6.8
229.12241	3.1
231.13698	3.0
233.15332	6.8
234.16113	9.9
239.17909	4.0
255.17336	2.4
269.18915	3.5
271.16928	3.7
281.18924	4.2
286.19263	3.8
287.19934	10.8
299.05490	2.3
299.20050	5.0
303.19507	7.3
309.18573	3.4
347.23669	5.7
365.24722	12.7
383.25671	100.0
383.33554	3.9
384.25824	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05307	1.4
55.05499	15.6
57.07066	11.3
59.05004	8.4
65.03915	3.0
67.05131	2.3
67.05494	37.5
69.03413	15.9
69.07047	11.7
70.39241	8.5
71.04960	5.9
79.05477	31.9
81.07046	42.7
83.04957	5.5
83.08594	5.8
85.06514	6.5
91.05467	43.6
93.07031	100.0
93.17477	1.7
95.04952	28.7
95.08591	46.1
96.08886	1.9
97.06522	11.1
103.05428	3.2
105.04489	2.1
105.07015	78.2
107.04900	3.8
107.07897	3.1
107.08583	54.6
109.06504	24.6
109.10134	25.2
111.08043	7.4
116.06210	3.1
117.07000	14.5
119.08562	54.9
120.09387	3.2
121.05717	1.8
121.06459	11.4
121.10132	51.3
123.08047	29.2
123.11646	7.2
125.09585	2.6
128.06194	6.8
128.35829	1.7
129.06979	13.1
130.07744	5.5
131.08551	31.7
133.06453	8.0
133.09166	2.2
133.10117	32.3
135.08037	22.0
135.11671	7.6
137.05936	3.3
137.09583	12.7
137.13220	7.1
141.06923	4.6
142.07750	20.6
143.08546	22.3
144.09268	5.0
145.10094	39.4
147.08022	25.5
147.11662	19.5
148.08775	3.3
149.09595	29.1
149.13222	17.7
151.07526	31.8
153.09126	3.5
155.08537	6.6
155.10567	2.0
156.09302	8.2
157.10094	40.9
158.07196	2.3
159.08038	9.2
159.11668	17.8
160.08734	2.0
161.09576	23.0
161.13199	12.5
163.11116	5.5
163.14806	4.1
165.06976	3.1
165.09097	37.8
167.08528	2.4
169.10069	8.4
170.10828	7.0
171.11664	9.1
172.08908	2.5
173.09578	9.6
173.13203	11.1
175.11180	20.0
175.14777	15.8
177.09100	10.9
178.09840	4.9
179.08443	2.6
181.10092	2.4
183.11609	8.3
184.12361	2.4
185.09581	2.1
185.13242	15.6
187.11104	6.0
187.14783	7.0
188.11935	2.3
189.12680	8.0
189.16408	2.5
191.10686	1.9
191.14236	4.1
193.08366	1.9
193.10075	2.5
195.11591	5.5
197.13213	6.0
199.11188	2.6
199.14778	5.7
201.12776	9.9
201.16452	4.4
203.14308	27.7
207.11841	3.4
207.13742	9.5
209.13216	6.4
209.15352	5.0
211.14781	3.6
213.12753	5.0
215.10533	3.2
215.14165	8.8
215.17897	2.2
216.15053	2.3
217.12129	2.8
219.13739	7.0
221.13295	3.9
221.15312	84.1
222.15692	3.9
223.14766	3.1
225.16293	3.9
226.25722	2.0
227.14211	7.7
231.13741	2.5
233.15387	6.0
234.16071	14.8
235.14798	2.3
239.18024	2.3
243.13721	2.9
249.16327	2.5
259.16861	2.2
265.19446	2.6
267.17358	2.2
269.19034	3.0
271.16711	2.1
274.19318	2.7
281.18811	4.1
285.95584	1.9
286.19183	4.9
287.19949	7.3
299.20001	4.8
303.19498	6.7
309.18396	4.4
337.28647	3.4
347.23694	4.0
351.20190	2.0
365.24628	14.8
383.25641	85.1
384.26031	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	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01847	3.4
55.05504	17.0
57.03413	3.8
57.07070	15.1
59.04974	8.1
67.05185	3.5
67.05493	49.4
67.25774	2.4
69.03415	12.7
69.07034	10.4
71.04954	7.8
71.08524	2.6
71.79206	4.1
79.05481	33.6
81.07046	41.0
83.04937	7.4
83.08606	4.4
85.06532	7.0
91.05474	51.9
93.07034	96.2
95.04949	28.7
95.08598	47.7
97.06498	11.6
105.07018	86.1
105.16335	2.7
106.07328	3.0
107.04897	3.9
107.07910	3.9
107.08582	53.8
108.05711	3.5
108.08857	3.3
109.06509	22.6
109.10145	37.7
109.29533	2.8
110.31290	2.2
111.08033	7.8
115.05439	3.7
116.06176	4.1
117.06959	12.3
119.07725	4.1
119.08564	56.2
121.06447	11.1
121.10126	50.2
123.08051	27.5
123.11640	4.6
128.06172	7.6
129.06998	13.9
130.07686	3.4
131.08548	32.0
133.06458	8.3
133.10123	43.6
134.07191	2.6
135.08020	24.4
135.11647	8.9
137.05908	4.8
137.09567	12.4
141.06924	5.0
142.07751	13.8
143.08557	24.1
144.09273	7.7
145.10089	49.9
146.07217	3.2
146.10439	3.3
147.08029	27.3
147.11659	24.1
148.00253	2.4
148.08723	3.9
148.11963	3.3
149.09584	29.0
149.13289	3.2
151.07520	36.4
153.09109	3.2
155.08493	9.3
156.09273	8.1
157.10103	43.2
158.10715	4.8
159.08006	9.1
159.11716	21.9
160.08708	3.7
160.12016	4.4
161.09616	23.0
161.13199	9.1
163.07492	3.8
163.11113	8.1
165.09094	42.7
166.09471	3.1
168.09293	3.0
169.10075	8.9
170.10852	7.6
171.11627	11.9
173.09564	11.5
173.11736	4.7
173.13188	10.6
174.10379	3.1
175.11166	21.5
175.14731	11.2
177.09077	16.4
179.08392	3.1
179.10629	3.6
181.12282	5.0
183.11630	8.6
185.09587	5.4
185.13234	18.4
187.11176	8.0
187.14691	6.3
189.12683	11.2
191.14293	2.7
193.10153	4.7
194.10934	4.0
195.11652	8.4
195.13544	2.5
197.13202	10.2
199.11096	5.0
199.14783	4.9
201.12727	14.3
203.14310	30.6
207.11746	3.7
207.13719	11.5
209.13181	4.5
209.15257	7.2
213.12738	3.7
215.14304	6.5
216.14989	5.5
219.13766	7.0
221.13605	4.0
221.15344	97.0
225.12639	4.8
227.14247	6.6
227.17928	3.3
231.13692	3.5
233.15254	9.3
234.16110	19.1
237.14786	3.6
239.17827	4.3
243.13672	3.2
265.15576	3.9
271.15277	3.5
281.18796	4.0
287.20218	5.6
291.11096	2.9
299.19986	6.5
303.19550	12.7
347.23395	3.0
349.27176	4.1
365.24692	18.2
383.25528	100.0
384.25818	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	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.29231	2.2
53.03935	6.2
55.01870	3.2
55.05508	19.2
57.03418	2.8
57.07056	10.2
59.04978	5.2
61.08974	2.0
65.03915	4.6
66.72195	2.3
67.05495	42.8
69.03423	17.2
69.07067	11.5
71.04975	5.6
77.71978	2.1
79.05488	27.9
81.03381	2.3
81.07045	40.3
83.04980	13.3
83.08594	9.0
85.06546	5.6
91.05471	49.6
93.07031	100.0
95.04948	33.3
95.08595	42.1
97.06521	15.8
103.05428	4.7
105.06317	4.0
105.07018	83.4
107.07896	3.7
107.08580	55.9
108.08885	2.7
109.06525	25.8
109.10143	28.1
111.08042	9.1
113.09644	3.6
115.05421	4.4
116.06191	3.2
117.06994	15.9
119.08569	61.4
121.06485	14.8
121.10130	60.1
122.10452	3.4
123.08050	30.3
123.11684	4.7
125.09637	4.5
128.06215	9.2
129.07010	19.2
130.07808	4.4
131.08557	38.4
133.06467	8.1
133.10115	36.1
134.10448	2.8
135.08026	23.1
135.11682	4.5
137.05936	5.5
137.09583	8.8
137.13301	2.3
141.06995	3.2
142.07768	21.6
143.08545	32.1
144.09285	7.9
145.06517	5.1
145.10120	49.8
146.07233	5.6
147.08020	28.2
147.11668	18.7
148.08783	2.3
149.09595	33.3
149.13297	2.7
151.07535	33.0
151.94531	2.2
153.09062	3.0
155.08524	9.7
155.10661	7.0
156.09357	10.7
157.10112	51.7
158.10805	4.5
159.08034	9.0
159.11658	20.7
160.08826	3.8
161.09607	23.4
161.13257	8.0
163.11148	9.1
165.09074	30.4
167.08516	5.0
168.09390	3.4
169.10146	11.2
170.10878	7.5
171.08046	3.9
171.11673	15.4
173.09572	12.4
173.11859	3.2
173.13165	10.6
173.31723	2.5
175.11206	25.0
175.14796	7.7
177.09097	10.9
177.28917	2.0
179.08485	6.5
181.10091	4.6
181.12209	5.5
182.11008	3.0
183.11661	9.9
184.12431	3.8
184.78441	2.2
185.09480	4.4
185.13261	17.2
187.11235	5.4
187.14787	5.2
189.12744	9.5
191.14264	5.8
193.10059	4.0
194.10902	3.4
195.11661	8.0
196.12453	2.4
197.13234	9.3
198.42877	2.2
199.11212	5.4
199.14729	6.1
201.12723	8.0
203.14291	29.1
207.11807	5.0
207.13782	9.2
209.13237	10.4
209.15215	4.0
211.14804	6.7
213.12695	7.9
215.14285	10.8
216.15021	4.1
219.13748	10.5
221.15337	80.5
223.14685	4.8
225.12656	3.4
225.16345	4.8
227.14265	15.5
231.13821	3.7
233.15344	7.7
233.79674	2.3
234.16130	17.1
237.14684	2.7
243.13768	4.1
249.16299	4.2
263.18069	3.2
265.15891	3.3
267.17416	2.9
269.19022	3.8
281.18936	5.3
286.19238	5.3
287.20062	8.8
299.20053	7.8
303.19492	9.9
324.41690	2.4
347.23727	4.7
365.24713	18.8
366.24854	2.7
382.12073	2.5
383.25696	93.3
384.26068	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93102	3.9
53.03931	7.7
55.01860	14.1
55.05504	26.5
56.38731	4.9
57.03419	16.0
57.07066	7.0
59.04998	5.2
61.02919	11.7
65.03912	6.0
67.05499	35.4
69.03420	62.3
69.07047	26.7
71.04986	64.9
71.79768	8.0
73.02908	10.6
73.06519	4.0
79.05492	41.4
81.03408	33.1
81.07044	96.4
83.04973	20.9
83.08603	15.0
85.02891	73.4
85.06535	6.0
91.05475	44.3
93.07030	92.5
95.04956	30.1
95.08595	94.3
97.02884	30.9
97.06525	64.9
99.04419	9.6
99.08049	5.6
103.03927	20.5
103.13239	3.7
105.07020	100.0
106.05032	4.3
107.04928	10.4
107.08587	92.1
108.93409	4.2
109.02855	8.8
109.06502	25.2
109.10142	74.1
111.04429	14.5
111.08083	13.4
112.65794	3.8
113.09667	7.1
114.32385	4.2
115.03957	7.0
117.07008	22.2
119.04994	5.6
119.08567	98.4
121.02892	4.9
121.06487	13.5
121.10130	69.8
123.04378	11.3
123.08066	20.4
123.11687	32.2
125.05975	5.4
125.09624	17.1
127.03909	16.7
127.11186	35.5
128.06192	6.5
129.06995	15.3
130.07745	6.3
131.08539	45.0
133.06454	8.0
133.10112	81.5
135.08037	15.7
135.11667	50.5
137.05927	10.7
137.09592	14.1
137.13159	9.0
139.07529	7.5
141.05389	4.4
141.06927	6.9
142.07776	5.1
143.08549	29.2
143.10559	6.1
144.09286	5.5
145.04976	5.9
145.06453	7.2
145.10112	58.5
146.06065	5.6
147.08018	14.7
147.11653	64.8
149.02290	11.6
149.09589	12.1
149.13235	19.7
151.11166	18.8
152.14348	5.9
152.75743	4.6
153.05467	4.7
153.12737	14.7
155.07210	4.3
155.08551	13.6
156.09363	7.5
157.06531	6.3
157.10112	41.3
159.06537	7.2
159.08026	7.3
159.11671	71.3
161.09615	13.8
161.13237	30.4
163.11119	8.0
163.14806	11.7
164.07045	10.1
165.09140	6.6
167.08566	5.2
169.10104	9.5
171.11644	33.6
173.09616	7.1
173.13213	27.4
175.11227	11.3
175.14760	18.7
177.09093	5.3
177.12743	12.7
177.16411	8.2
178.08638	14.0
179.08951	14.2
179.10567	6.0
181.10161	7.2
183.11676	17.5
185.09595	5.7
185.13278	17.3
187.14796	15.6
189.09084	7.8
189.12820	17.1
189.16403	38.6
191.10651	5.8
192.06580	10.3
193.15901	11.6
195.11664	8.4
197.13246	13.3
199.14728	13.9
199.70683	4.5
201.12665	7.2
201.16362	22.4
203.14275	7.3
203.17908	24.9
207.11703	6.8
211.14806	7.8
213.12730	5.6
213.16312	10.4
213.20598	4.5
215.14322	6.6
215.17918	14.1
217.10606	17.9
219.17377	11.0
221.15425	5.5
221.18994	13.4
225.12733	9.0
225.16243	5.4
227.17935	14.8
231.13924	6.5
231.17493	5.9
233.18959	10.7
236.05470	20.0
239.17979	5.6
241.15869	9.3
243.13828	7.9
243.17413	7.0
245.18987	17.6
247.07541	7.0
257.18967	6.8
259.16956	7.4
261.14856	5.5
261.18420	9.6
263.20160	9.7
269.18921	10.9
275.20163	6.0
287.20016	9.4
290.05655	6.7
297.16577	5.4
299.20157	6.7
305.08032	6.4
305.21133	8.7
311.20142	15.2
323.12827	5.5
329.21066	19.0
333.11209	17.6
337.10687	7.6
347.22104	16.9
351.12238	6.7
355.11676	19.2
365.13837	11.6
365.23294	29.4
383.15106	48.3
383.24515	55.3
383.29404	13.4
384.10794	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.05485	1.5
57.03409	0.6
57.07054	0.5
57.90385	0.4
59.14916	0.5
64.45334	0.5
67.05479	2.1
67.67396	0.5
68.05015	1.1
69.03411	0.8
69.07039	1.9
70.06566	1.2
71.04965	0.9
71.79946	1.1
79.05464	3.0
80.04985	3.5
81.03414	0.5
81.07039	4.2
82.06544	1.2
83.04958	0.7
83.08600	1.1
84.08130	0.8
85.02893	0.6
85.06537	0.7
86.06036	1.1
88.03969	0.7
90.50692	0.5
91.05462	2.6
93.07017	5.2
95.04918	1.2
95.08584	3.7
96.08108	1.2
96.49937	0.5
97.06510	0.9
98.06029	7.2
103.05425	0.6
105.07011	2.8
107.04858	0.6
107.08568	4.2
108.08100	1.6
109.06488	1.1
109.10166	2.4
109.10791	0.6
110.09640	2.7
111.08047	0.6
114.05495	2.9
115.05431	1.0
116.07027	1.1
117.06988	2.3
118.06509	24.8
119.08535	2.6
121.06477	0.6
121.10117	1.8
122.09642	1.0
123.04408	0.8
123.10394	1.1
123.11675	1.3
129.06937	0.7
130.06496	9.9
131.04877	1.1
131.08556	1.1
133.10110	2.3
133.52467	0.5
135.08038	0.8
135.11662	2.8
137.05928	0.7
137.09605	0.5
138.05482	1.4
139.03856	0.5
142.06496	2.1
143.07230	2.1
143.08421	0.8
144.04346	0.7
144.08046	16.9
145.10117	1.6
146.05972	70.4
147.06303	2.4
147.11658	1.6
149.09605	1.0
149.13239	0.5
150.12733	3.0
152.14304	66.5
153.14627	1.8
156.08026	0.7
157.10071	1.0
159.11661	1.4
160.07552	0.9
161.02303	0.6
161.09576	1.0
161.13229	1.0
163.11168	0.9
164.14302	1.0
165.07822	1.7
170.05977	5.4
171.11632	1.0
173.13226	1.0
175.07579	0.9
175.14766	0.8
178.15909	2.2
184.11215	1.9
185.13103	0.5
187.03853	0.8
188.07018	52.9
189.07329	2.6
196.16925	33.3
197.17261	1.3
199.14812	0.6
201.08966	0.6
203.17874	1.7
208.13274	3.6
210.14842	7.8
215.08212	0.6
221.15193	0.7
222.18289	0.7
229.08563	1.4
241.09723	0.9
254.17458	10.4
267.11288	2.1
277.08548	0.7
318.08597	0.8
333.11322	1.4
337.10751	1.1
339.20599	27.3
340.17273	0.5
340.21100	2.4
365.13968	1.9
365.20508	0.5
365.28131	0.8
383.11234	2.7
383.14981	3.8
383.23184	100.0
383.28885	3.4
384.23517	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	383.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.03431	3.7
58.14030	0.7
59.09831	0.7
61.01144	0.7
69.03421	1.0
69.07059	62.4
70.06876	4.5
70.07391	1.2
73.02884	0.8
73.06551	7.0
74.07200	0.8
75.04463	3.5
82.11398	0.8
85.02877	4.2
93.05503	6.1
95.01318	3.0
97.02819	0.9
97.06517	17.0
103.03920	0.9
110.07154	1.1
113.02359	2.1
115.07552	100.0
116.07912	1.3
119.25862	0.7
124.23047	0.8
141.01794	7.7
159.02863	1.9
161.59430	0.8
163.03903	1.1
171.10188	2.3
187.05981	0.8
189.11200	30.9
215.05530	1.8
233.06555	2.3
251.07536	1.0
340.27844	0.8
365.14536	0.9
378.42877	0.8
383.09390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61432	0.5
55.05486	3.1
56.05016	0.6
57.03422	1.4
57.07057	1.1
67.05495	3.5
68.05011	1.1
69.07058	3.2
70.06574	1.3
79.05472	3.9
80.04990	1.4
81.03394	0.8
81.07033	6.4
82.06557	0.9
83.04954	1.5
83.08598	1.8
84.08137	0.8
85.02844	0.9
85.06527	0.6
86.06046	1.3
88.03970	0.8
91.05442	4.0
93.07029	7.6
94.06554	0.7
95.04929	1.6
95.08582	6.7
96.08112	1.5
97.06499	2.0
97.10132	0.8
98.06037	0.9
98.09677	0.7
99.08054	0.6
100.11236	0.7
103.05405	0.9
105.07002	4.3
107.04903	0.7
107.08567	7.9
108.08095	2.6
109.06494	1.5
109.08894	0.9
109.10120	3.5
110.09662	3.7
111.08038	1.2
114.05510	2.6
115.05453	0.9
116.07054	1.2
117.06950	2.7
118.06517	24.8
119.08546	5.5
119.58337	0.7
121.06414	0.6
121.10092	4.3
122.09628	1.3
123.08099	1.2
123.10419	0.8
123.11683	2.2
127.03855	0.7
128.07059	0.5
130.06502	7.8
131.08543	2.6
132.08043	0.6
133.06445	0.8
133.10112	3.7
135.08037	0.9
135.11681	5.4
136.11180	0.8
137.13251	0.5
138.05507	0.8
139.07541	0.7
140.73505	0.5
142.06477	2.4
143.07268	1.9
143.08516	1.8
144.04448	0.8
144.08057	16.9
145.08379	0.8
145.10085	2.1
146.05978	72.3
147.06334	2.1
147.07944	0.9
147.11655	2.8
149.02298	1.7
149.09503	0.6
149.13266	0.7
150.02667	1.2
150.12741	3.9
151.03813	0.6
151.11082	0.7
152.14314	83.3
153.01814	1.0
153.14703	3.0
154.15868	2.1
155.08430	0.9
156.08040	0.7
156.10257	1.0
156.13768	0.9
157.10120	1.7
159.11676	2.3
160.07523	0.9
161.09567	1.0
161.13223	1.7
163.11143	1.0
164.14339	1.3
165.07822	1.5
166.15910	0.7
170.05972	5.0
171.11696	1.1
173.13229	1.9
175.11159	1.0
175.14850	1.4
177.12740	0.7
178.15894	1.4
179.14096	0.6
182.11812	0.6
182.15376	0.8
184.11195	1.5
184.13155	0.6
185.13380	1.6
187.03868	1.6
187.14812	1.0
188.07034	54.7
189.07372	2.2
189.16371	0.7
193.04955	1.9
194.05298	1.8
196.16934	46.4
197.13139	0.7
197.17250	2.4
199.14720	0.9
201.08972	1.1
201.16403	1.0
208.13338	4.0
210.14864	12.9
211.15060	0.8
213.16208	0.6
215.08304	0.7
229.08635	1.9
252.15871	1.9
254.17490	7.9
255.17686	0.7
273.18338	0.8
277.08334	0.8
289.05048	0.8
290.09244	1.1
305.08087	0.9
305.11520	0.7
309.11105	0.6
318.08920	1.1
333.11197	2.2
337.10690	1.1
339.20612	36.4
340.20944	2.6
365.13818	2.1
365.28506	1.8
383.10938	2.3
383.15009	6.8
383.23221	100.0
383.29324	11.1
384.11026	0.6
384.15631	1.3
384.23477	7.7
384.28946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
53.99940	1.5
57.03419	4.1
61.02922	3.4
69.03424	9.5
69.79095	10.1
74.02446	2.1
81.03410	6.6
82.02941	1.6
84.08154	1.5
85.02889	28.8
94.06525	2.0
97.02887	9.9
99.04449	1.9
103.03922	1.7
104.70166	1.3
109.02876	3.6
117.85419	1.4
118.06538	5.6
123.38355	1.3
127.03908	5.2
129.06978	1.5
130.06512	58.2
131.06900	1.3
132.04443	17.2
132.08067	4.1
142.06590	1.9
143.07289	1.7
144.08070	22.5
145.05095	1.6
145.07574	21.9
146.05969	10.7
146.07898	2.0
148.07553	4.6
154.06474	5.0
156.06844	1.8
156.08063	5.1
157.07599	55.8
158.05997	47.4
158.08102	1.7
159.09198	7.9
160.07584	4.2
169.07581	7.9
170.05939	1.7
170.08301	2.2
171.09161	7.0
172.07558	10.7
174.05516	7.4
175.08644	61.3
176.07048	2.7
181.07588	4.2
183.09166	13.6
184.06065	1.4
184.07567	2.4
185.07132	9.6
186.05470	4.3
186.07808	2.9
187.08684	3.5
187.77266	1.4
190.08560	1.6
196.07574	1.8
197.07045	1.6
199.08669	12.7
200.07050	20.0
202.07193	1.4
203.08125	100.0
204.06535	3.9
204.08302	2.7
208.07523	1.7
209.07097	9.1
215.08104	4.0
216.06676	1.6
216.08928	4.0
217.09695	26.1
221.09172	62.1
222.09575	2.4
227.08182	12.2
228.06601	4.3
231.07637	5.7
231.48593	1.4
232.86397	1.3
242.07794	1.3
245.09193	21.9
257.09464	2.1
263.10229	59.1
264.10532	2.3
274.10840	2.1
275.10129	1.4
299.10358	6.6
311.10184	3.6
317.11475	2.0
329.11307	5.3
347.12372	11.9
348.10614	11.4
365.13397	42.2
366.13483	1.7
374.60181	1.5
383.14481	43.3
384.14789	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	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	7.6
69.74772	1.3
71.95258	1.1
73.07262	0.2
87.12706	0.2
92.79848	0.2
98.97565	57.3
99.97903	0.3
116.98602	64.6
117.98936	0.4
119.01899	0.2
134.99634	46.6
136.00018	0.4
140.00180	1.8
153.00679	8.0
158.01244	2.0
176.02313	0.3
177.00995	0.3
181.58101	0.2
181.97408	0.4
183.67563	0.2
192.98717	0.8
199.04433	0.3
213.83041	0.2
216.98683	1.5
217.98897	0.3
219.01932	0.5
220.02260	0.3
227.25452	0.2
232.96577	0.4
234.99777	3.2
235.99913	0.7
236.99731	0.2
240.98596	5.8
241.00845	0.4
241.98775	0.3
251.97729	0.4
253.00986	0.3
257.96750	0.2
258.99728	56.1
259.99911	3.5
261.00308	0.3
261.03036	1.1
262.03067	0.3
268.76099	0.2
274.97641	1.1
275.97800	1.1
276.02371	0.3
277.00775	100.0
278.00940	6.0
279.01056	0.8
282.01309	2.8
282.99741	1.2
284.00296	0.2
284.99628	0.3
291.02417	0.4
292.98724	0.4
295.01828	1.1
298.97696	0.6
299.97989	1.0
300.02347	6.0
300.97708	0.4
301.00790	2.7
302.01093	0.6
303.00635	0.5
316.98706	1.1
317.98938	2.9
318.98596	0.7
341.23499	0.3
341.98706	0.9
342.98608	0.3
359.00128	0.9
359.99973	3.7
360.99475	1.1
382.99966	2.3
383.99887	0.4
401.00958	10.3
402.01144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1703
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01852	0.8
55.05513	0.8
57.03418	1.4
57.07077	3.0
59.04986	1.2
61.02903	1.4
67.05473	2.1
69.03401	2.7
69.07060	10.0
70.02932	1.9
70.06551	1.5
71.04981	1.7
71.79107	0.8
72.04505	6.8
73.02905	2.3
73.06541	1.0
74.02439	0.7
79.05459	1.0
81.03407	1.9
81.07047	1.3
83.04965	1.2
83.17620	0.6
85.02899	6.4
85.06522	4.1
86.09681	1.8
87.08055	0.7
88.07622	0.8
90.05544	54.3
93.07048	0.8
95.01297	0.7
95.04940	3.7
96.08105	0.6
97.02865	2.7
97.06518	2.7
97.65423	0.6
98.02402	7.3
99.04437	1.2
100.03954	1.5
103.07568	3.6
104.07106	0.8
109.02798	1.1
110.07095	0.7
113.05989	1.4
115.07565	12.2
116.02718	0.9
116.03444	8.1
120.08077	3.3
123.04404	2.3
124.03976	1.0
124.07581	8.3
127.03926	1.8
129.81659	0.7
130.06480	1.2
141.01805	1.1
142.08611	3.6
145.04942	1.2
146.05980	1.0
147.04391	1.0
147.06357	0.8
156.10159	0.9
160.07515	0.8
160.09653	1.0
163.03883	1.2
166.08630	1.4
167.06972	0.7
174.11346	0.6
181.04784	0.7
184.08093	0.9
184.09674	10.8
185.11627	0.9
188.09190	0.8
189.11229	3.3
202.10732	18.2
203.12816	0.7
220.11774	100.0
221.12433	2.2
242.99513	1.0
254.34790	0.7
261.03964	1.6
262.04480	1.2
297.84396	0.7
324.88223	0.7
383.04532	1.0
383.09454	7.6
383.17847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
54.20407	2.0
54.57306	1.7
55.01866	15.4
55.05505	2.6
56.96558	2.2
57.03428	3.2
57.07071	9.4
59.04987	4.0
59.59642	1.7
61.02927	3.3
62.06067	1.8
67.05494	4.2
68.30338	1.8
69.03123	1.8
69.03426	17.9
69.07062	19.4
70.02933	6.8
70.06590	4.8
70.10302	7.0
70.10713	2.7
71.04974	4.4
72.04510	31.2
72.08138	2.9
73.02926	13.2
74.06072	5.3
81.03403	22.9
83.04955	7.0
84.04519	2.7
84.08119	2.2
85.02892	27.6
85.06531	8.1
86.09689	6.5
88.01612	1.7
90.05541	61.7
95.04964	10.4
97.02866	12.3
97.06511	3.8
98.02395	18.8
99.04422	6.9
100.03971	7.6
102.05432	1.8
103.03907	1.9
103.07568	4.3
104.07103	3.0
109.02859	31.6
110.07144	2.3
112.07570	3.1
113.06010	6.2
114.70411	2.1
115.07563	13.8
116.03449	21.8
116.07057	3.2
120.08069	4.8
124.07568	27.7
127.03899	23.3
131.07014	3.4
132.06564	5.6
136.07571	2.5
139.13263	1.7
142.08620	16.4
144.06564	3.2
145.04944	7.9
147.04388	2.0
151.03864	1.9
160.07600	3.1
160.09674	6.7
163.03860	6.3
166.08635	3.2
172.09682	3.0
174.11224	6.9
181.04947	2.6
184.09682	34.4
187.05968	3.9
189.11304	2.9
195.21526	2.1
198.07611	5.7
199.05986	13.7
202.10730	100.0
203.11366	2.9
211.09627	7.5
216.08748	4.7
217.07072	13.6
220.09746	4.0
220.11772	51.4
223.94844	2.0
230.10226	11.4
234.09732	15.9
252.10806	2.1
262.04227	2.4
262.12836	19.1
310.12790	10.4
320.17294	1.9
328.13876	57.6
346.14859	15.8
364.12015	1.6
364.15973	45.7
365.16068	2.2
382.20410	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	382.1706
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03933	3.5
55.01868	14.1
56.05017	1.5
56.96556	2.0
57.03415	3.3
57.07057	7.1
58.12295	1.8
59.04993	3.4
61.02922	1.5
67.05492	6.4
69.03422	16.7
69.07057	12.8
70.02950	5.3
70.06573	5.0
70.38815	5.8
71.05002	3.0
71.53333	1.5
72.04506	30.6
72.08160	1.4
73.02913	12.9
74.06062	2.6
81.03408	15.5
81.07047	2.4
83.04961	5.8
84.04500	1.7
84.08127	3.4
85.02892	26.8
85.06522	10.4
86.09699	6.0
87.08098	3.2
89.93547	1.4
90.05543	58.3
91.05450	2.6
95.04951	10.0
96.08126	2.5
97.02885	16.5
97.06541	1.8
98.02408	14.2
98.20771	2.1
98.97600	4.8
99.04455	8.4
100.03979	6.2
103.07555	3.7
105.32608	1.5
109.02869	26.7
111.04441	2.2
112.07592	2.5
113.05973	7.3
115.07566	3.7
116.03445	23.1
116.07073	1.8
116.98634	2.5
119.04873	2.2
120.08093	7.7
121.06464	1.5
123.04346	1.5
124.07577	26.4
127.03899	27.3
127.04837	1.5
131.07013	1.7
132.06589	8.5
136.07570	5.0
137.05901	1.9
138.05490	2.8
139.03885	1.8
142.08598	16.7
145.04932	7.9
146.99609	1.6
148.09731	1.8
156.10239	3.0
158.06013	1.7
160.07585	10.7
160.09659	8.1
162.05556	4.1
163.03908	3.9
166.08632	4.8
167.25182	1.5
172.09639	2.5
174.11234	9.1
175.08633	2.3
184.09665	29.4
186.05482	3.2
187.06027	4.7
189.05435	2.3
193.08740	1.7
198.07573	5.1
199.05963	14.0
202.10722	100.0
203.11374	2.0
203.67528	1.4
204.06546	4.9
205.06923	2.1
206.08128	5.8
211.09610	8.8
216.08661	5.6
217.07018	15.8
219.01746	1.9
220.11769	44.5
221.09131	8.2
221.12901	1.8
223.10759	3.4
230.10231	10.6
234.09700	13.1
237.02776	2.0
244.11766	2.4
252.10854	3.4
262.12833	16.3
269.11407	2.7
310.12778	7.3
328.13855	49.6
346.14954	14.8
364.15948	39.3
382.20209	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	381.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05498	5.4
57.03425	0.7
57.07061	1.0
65.03922	0.8
67.05495	6.7
69.07056	5.5
70.42343	1.2
70.42736	2.2
71.08617	1.4
72.08150	0.7
79.05480	7.7
81.07043	16.9
83.04979	0.7
83.08592	2.5
85.90919	0.6
91.05457	11.1
93.07027	17.0
95.04942	1.9
95.08598	13.9
97.06512	1.1
97.10168	0.8
103.05460	1.4
105.07013	39.6
106.07368	1.3
107.04970	0.7
107.08570	23.1
109.06480	1.0
109.10143	11.0
117.06998	7.2
119.08560	31.4
120.08907	0.7
121.10128	11.3
123.11673	4.2
125.09644	0.8
129.06958	3.4
130.07768	3.2
131.08546	15.3
133.10107	31.8
134.10414	1.4
135.11673	16.4
137.13232	2.0
141.07024	0.8
142.07779	1.4
143.08528	5.2
144.09335	4.5
145.10103	43.4
146.10385	4.2
147.11664	66.7
148.12010	2.7
149.13272	4.3
153.09093	1.5
155.08487	2.0
155.89214	0.8
157.10100	5.8
158.10805	1.0
159.11678	43.2
160.12047	1.3
161.09572	0.7
161.13242	19.0
162.13535	0.9
163.07538	0.9
163.14803	1.5
167.10866	0.6
169.10086	2.6
171.11649	6.9
173.13260	8.4
175.14804	14.0
177.16368	2.0
179.10645	1.3
181.10112	1.7
182.10773	0.8
183.11658	3.3
185.13182	4.8
187.14807	9.3
189.16302	6.8
190.16699	0.8
192.32690	0.7
193.15855	1.3
195.11678	1.8
197.13197	3.1
198.13585	0.7
199.14822	4.4
201.16354	19.7
202.16681	0.9
203.17943	3.6
205.12207	1.4
209.13217	1.7
211.14760	3.2
213.16373	4.5
215.17943	0.9
219.13719	0.7
221.15398	0.8
223.14821	1.4
225.16394	4.2
226.16887	0.7
227.17867	3.2
231.13817	0.6
233.15332	1.4
235.17046	0.7
237.16359	1.3
239.17964	2.6
245.15256	1.0
247.16930	1.3
251.17929	1.9
253.19510	1.0
259.16916	1.3
265.19528	2.2
267.20972	0.7
271.16934	1.1
273.18503	1.4
279.20932	3.2
285.18466	0.7
293.22571	1.9
307.23663	0.8
311.20157	0.7
325.21548	2.4
335.27255	37.3
336.27655	2.1
337.28992	0.9
363.26843	2.0
381.27832	100.0
382.28207	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10309	0.6
53.09644	0.5
58.69955	0.6
59.85447	0.6
70.45543	1.8
70.45954	1.3
94.92970	0.8
112.89573	3.6
114.89294	1.1
127.61825	0.6
202.89026	1.2
244.02008	0.7
298.47003	0.7
381.07886	100.0
382.08218	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	381.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28786	0.6
53.03938	1.0
55.05495	4.3
57.07056	1.1
58.53748	0.6
67.05242	0.5
67.05496	6.5
69.07059	5.2
69.52407	3.9
69.52841	2.7
74.90744	0.7
79.05481	7.1
81.07041	13.6
83.08601	2.0
91.05470	11.9
93.07030	17.1
95.04958	0.9
95.08594	12.7
97.06554	0.8
97.10169	0.7
98.21452	1.4
103.05389	0.7
105.07014	40.9
106.07366	0.8
107.08569	20.8
107.90497	0.7
108.31204	0.6
109.10144	9.3
109.83105	0.6
114.16422	0.7
115.05451	1.2
117.07011	5.5
118.17619	0.7
119.08559	28.1
120.08891	0.8
121.10117	10.6
123.11681	3.7
129.07016	3.4
130.07758	2.4
131.08546	16.0
133.10110	29.2
135.11674	14.4
137.13243	2.7
140.32108	0.7
142.07703	0.8
143.08574	4.9
144.09317	3.0
145.10107	40.9
146.10475	1.2
147.11662	56.0
148.11998	1.2
149.13213	4.3
151.07497	1.5
151.11153	0.8
151.14624	0.8
153.09070	0.8
155.08546	2.3
157.10117	6.2
158.10960	1.1
159.11670	41.5
160.12263	1.1
161.11876	1.0
161.13232	18.1
163.07471	0.9
163.14813	1.5
168.09375	0.7
169.10133	2.1
171.11652	5.5
173.13234	9.1
175.14795	11.1
177.16365	3.0
179.10635	0.7
181.10126	1.4
183.11661	1.9
185.13226	4.8
187.14784	9.2
189.16356	5.9
193.15782	1.1
195.11662	1.5
197.13254	2.9
197.98627	0.7
198.13937	0.8
199.14729	4.8
201.09210	0.8
201.16356	17.6
203.17981	2.5
209.13293	1.8
211.14806	3.0
213.16327	4.7
215.17926	1.0
219.13741	1.5
223.14740	1.3
225.16312	4.1
227.17894	4.4
229.12160	0.7
231.13765	0.8
233.15440	1.0
237.16417	1.3
239.17943	2.5
241.19537	1.5
245.15381	0.9
247.16855	1.1
251.17990	1.5
253.19395	1.0
265.19553	2.2
267.20996	1.3
277.19397	0.7
279.21164	3.7
293.22467	1.8
307.24124	1.8
325.21344	3.2
335.27258	32.1
336.27567	2.0
363.26797	2.4
381.27832	100.0
382.28189	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	380.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05503	2.8
56.96545	1.0
57.03422	6.1
59.91661	1.0
60.04514	5.6
61.02908	1.6
62.21347	0.9
63.96812	1.0
68.05020	1.4
69.03429	5.5
69.07055	3.2
70.06570	4.0
70.21724	2.2
70.22119	2.5
71.04980	2.3
72.08153	1.8
73.02900	2.9
73.06528	2.0
74.06051	1.3
75.04464	3.6
79.05480	1.3
81.03407	2.5
81.07023	1.3
82.06550	3.6
84.04485	2.5
84.08118	7.5
85.02896	11.8
86.03218	1.1
86.06060	7.4
86.09678	3.4
87.04460	6.7
90.94832	1.2
91.05487	1.6
93.07027	1.6
95.01319	66.6
97.02880	3.4
98.97569	3.6
99.04440	1.4
105.07015	1.6
107.04954	1.5
109.02881	2.4
111.05529	1.1
113.02351	100.0
114.09216	1.0
116.07103	1.2
116.98582	1.8
127.03926	2.6
128.07056	7.9
128.08064	2.1
129.10229	3.9
131.03372	2.4
134.99652	1.7
137.05952	2.7
137.09546	1.3
140.04668	1.3
141.01791	7.4
145.04968	1.0
146.09233	3.8
147.04355	2.9
147.94693	1.1
159.02934	2.1
167.07030	1.6
169.04947	47.8
183.10112	1.1
187.05997	74.9
188.06300	1.5
201.59201	1.1
211.05481	2.5
222.73975	1.0
222.76205	0.9
233.04369	1.1
237.02795	2.0
252.12349	1.0
261.03879	3.9
263.95584	3.4
267.35367	1.1
281.96863	1.4
290.13559	2.8
317.08972	1.6
344.24249	1.6
362.25391	2.7
380.13245	1.8
380.20288	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65397	0.4
53.03931	0.9
55.01863	0.7
55.05497	1.0
57.03421	2.1
57.07059	2.2
61.02907	0.7
67.05485	2.4
69.03416	6.7
69.07045	1.5
70.06589	0.7
71.04969	1.0
71.08614	3.9
71.79499	0.5
73.02921	1.0
79.05479	1.9
81.03422	2.9
81.07030	2.9
85.02890	31.5
86.03207	0.7
87.04436	0.9
91.05466	2.4
93.07012	2.5
95.04942	1.2
95.08591	2.3
97.02879	5.8
97.06470	0.7
99.04420	1.6
103.03915	1.0
105.07014	6.4
107.04952	0.9
107.08562	2.5
109.02861	3.4
109.06543	0.7
109.10131	2.2
117.07019	1.0
119.08549	3.3
120.08047	0.9
121.06474	4.3
121.10085	0.8
123.11691	0.8
125.09615	0.6
127.03879	7.7
128.06259	0.6
131.08516	1.3
133.06415	1.0
133.10097	6.3
134.05978	0.7
135.08043	2.8
137.13219	0.7
142.07744	0.7
143.08571	1.0
145.04932	3.9
145.10101	1.5
146.06155	0.8
146.07230	4.1
147.08038	7.6
147.11642	1.4
149.09598	0.7
157.10078	1.5
159.08011	2.0
159.11595	1.4
160.08786	2.1
161.09590	100.0
162.09975	3.5
171.11670	1.3
172.13297	1.2
173.09639	3.1
174.10385	2.0
175.11160	23.1
175.14659	0.8
176.11450	1.1
187.14653	0.6
188.03528	0.6
188.11890	1.1
189.12659	0.7
189.16414	0.6
213.16252	0.8
217.15843	96.1
218.16115	5.7
227.14410	0.7
241.15787	3.4
259.16992	0.7
260.83102	0.5
351.19055	1.0
379.21115	4.9
379.26108	1.6
379.29742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65397	0.4
53.03931	0.9
55.01863	0.7
55.05497	1.0
57.03421	2.1
57.07059	2.2
61.02907	0.7
67.05485	2.4
69.03416	6.7
69.07045	1.5
70.06589	0.7
71.04969	1.0
71.08614	3.9
71.79499	0.5
73.02921	1.0
79.05479	1.9
81.03422	2.9
81.07030	2.9
85.02890	31.5
86.03207	0.7
87.04436	0.9
91.05466	2.4
93.07012	2.5
95.04942	1.2
95.08591	2.3
97.02879	5.8
97.06470	0.7
99.04420	1.6
103.03915	1.0
105.07014	6.4
107.04952	0.9
107.08562	2.5
109.02861	3.4
109.06543	0.7
109.10131	2.2
117.07019	1.0
119.08549	3.3
120.08047	0.9
121.06474	4.3
121.10085	0.8
123.11691	0.8
125.09615	0.6
127.03879	7.7
128.06259	0.6
131.08516	1.3
133.06415	1.0
133.10097	6.3
134.05978	0.7
135.08043	2.8
137.13219	0.7
142.07744	0.7
143.08571	1.0
145.04932	3.9
145.10101	1.5
146.06155	0.8
146.07230	4.1
147.08038	7.6
147.11642	1.4
149.09598	0.7
157.10078	1.5
159.08011	2.0
159.11595	1.4
160.08786	2.1
161.09590	100.0
162.09975	3.5
171.11670	1.3
172.13297	1.2
173.09639	3.1
174.10385	2.0
175.11160	23.1
175.14659	0.8
176.11450	1.1
187.14653	0.6
188.03528	0.6
188.11890	1.1
189.12659	0.7
189.16414	0.6
213.16252	0.8
217.15843	96.1
218.16115	5.7
227.14410	0.7
241.15787	3.4
259.16992	0.7
260.83102	0.5
351.19055	1.0
379.21115	4.9
379.26108	1.6
379.29742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05502	0.7
56.96550	0.6
57.03415	1.0
61.02907	0.8
67.05490	0.3
68.04980	0.4
69.03418	2.0
69.07054	0.4
70.06572	0.9
70.70565	1.3
71.04980	0.7
72.08141	1.0
73.02898	0.6
81.03442	1.4
81.07024	0.4
83.08590	0.4
84.08120	0.7
85.02885	4.4
85.06544	0.5
85.31954	0.3
86.06052	0.4
86.09701	0.7
87.53221	0.3
91.03931	0.4
91.05453	0.8
93.07052	0.4
94.04175	0.4
95.04950	0.6
97.02891	1.9
98.97551	1.0
99.04407	0.7
107.04931	0.3
109.02853	1.0
110.97659	0.3
112.07597	0.5
114.09148	2.5
116.98586	0.5
119.04890	0.5
120.08166	0.3
120.35870	0.3
122.03630	2.2
123.04397	0.4
127.03904	1.1
130.06494	0.4
130.08614	4.7
131.04919	0.9
134.99565	0.4
136.07475	0.3
137.05957	100.0
138.06274	2.3
140.04681	0.8
145.04979	0.5
146.99686	0.3
147.04343	0.6
153.05418	0.4
155.06984	0.6
163.03809	0.7
163.07501	2.7
167.06999	0.5
175.07474	0.5
181.08575	14.1
195.01749	0.4
197.05766	0.3
199.05923	1.3
205.08524	0.5
216.12184	0.6
229.08530	0.4
234.98790	0.3
237.02715	0.6
288.06818	0.4
378.21057	1.1
379.15479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63669	1.6
52.85524	1.4
55.01839	1.6
55.05499	1.9
56.52917	1.4
56.96555	23.6
57.03419	4.8
58.99860	2.1
61.02919	2.6
64.87222	1.4
67.94933	1.5
69.03425	8.5
70.06587	2.2
70.55106	1.2
70.98109	5.0
71.05000	1.6
72.08122	2.2
73.02894	2.6
73.72236	1.3
74.97583	1.6
77.00899	3.0
77.53647	1.3
81.03390	3.4
82.99854	2.4
84.96011	2.4
85.02884	11.9
86.09693	3.6
88.99151	3.3
91.02452	1.8
91.05435	2.2
97.02888	7.9
98.97574	20.8
99.04480	1.4
101.00850	21.9
103.02455	2.7
109.02842	2.4
110.97549	5.5
112.07571	1.8
112.99116	1.8
113.00862	5.4
114.09149	3.1
115.02431	10.5
116.98619	15.5
119.01910	64.4
119.04890	3.7
120.01987	3.7
121.01643	4.3
127.03902	4.0
128.98593	10.3
130.08632	20.8
131.00200	1.4
131.01891	31.6
132.10240	1.9
133.03453	77.2
133.85747	1.5
134.03564	6.0
134.99635	4.1
137.02928	9.0
137.05923	8.3
143.01912	8.0
145.03453	14.7
145.04860	2.1
146.99644	13.1
147.04405	4.7
149.01158	1.7
149.02933	19.9
151.04507	13.2
154.96524	1.9
155.01889	7.5
156.05000	1.9
157.03467	4.5
158.99660	8.8
159.01448	2.0
159.05064	1.8
160.09718	2.1
161.01245	3.0
161.02940	22.7
162.03172	1.9
163.02747	2.1
163.04500	9.8
165.00713	9.8
167.04016	3.1
170.99814	3.2
171.01366	36.3
171.05014	2.8
172.01569	2.8
172.97557	6.1
173.01395	2.4
173.02945	22.8
175.00882	8.8
175.02716	5.2
175.04474	4.2
177.00717	13.7
177.02448	7.6
179.02310	1.8
179.07010	3.2
180.51920	1.9
182.03342	1.6
183.01407	7.7
185.03015	3.1
186.04485	2.0
187.00954	2.8
187.04399	2.2
189.00854	4.2
189.02419	100.0
189.06075	3.3
190.02559	9.3
190.98627	12.0
191.02274	3.8
191.03984	15.4
193.00320	1.8
193.01892	3.1
193.03600	2.0
195.01756	2.1
195.03535	2.2
197.03114	2.1
199.00826	16.6
199.04497	3.6
201.02428	23.5
203.04037	10.6
204.05563	1.6
205.00174	6.5
205.01895	1.6
205.03848	2.2
207.01779	2.8
207.03497	13.2
208.05006	2.5
208.99716	4.2
211.00894	3.0
212.04076	2.6
217.00201	2.6
217.01945	36.4
217.03816	3.4
217.05530	5.9
218.02020	2.3
218.98160	4.7
219.01735	8.2
219.03542	4.2
221.04987	11.3
223.01250	6.2
227.00441	5.2
229.01942	23.0
229.05545	2.7
231.03534	37.2
232.03575	4.3
232.99660	6.6
233.03333	4.2
235.01106	4.4
235.03178	1.8
236.99213	2.1
237.02686	7.8
239.06061	4.0
243.03558	13.1
245.01505	7.3
245.05139	2.3
247.03174	1.8
247.06583	1.8
249.04590	29.5
250.04703	3.0
251.00763	8.7
251.04272	1.9
254.99950	2.0
259.03079	77.2
260.03201	6.7
261.04742	13.7
271.02899	14.8
272.06000	2.3
273.01096	2.5
275.06238	3.1
277.04187	69.9
278.04205	6.6
279.05832	2.4
280.06961	11.1
281.01755	2.6
287.02390	4.9
289.03989	15.1
289.07550	9.9
292.14188	1.9
293.07144	2.4
298.07718	3.6
300.05768	3.6
305.03696	8.5
307.05188	3.3
319.05072	5.3
319.08759	3.4
319.12341	5.8
334.11816	2.0
337.07977	2.9
351.07462	1.9
373.13525	1.8
379.06436	2.0
379.10907	2.3
379.18109	6.8
397.01859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93279	0.2
71.39831	0.5
77.45892	0.2
81.03383	0.3
91.05439	0.6
95.04936	0.4
107.04944	0.5
117.08807	0.3
123.04404	0.7
124.03944	0.5
136.05153	0.6
137.05971	2.0
138.06744	1.2
148.05168	7.7
151.03894	0.6
165.05363	0.3
166.06181	0.4
181.08568	100.0
182.08926	3.2
203.48239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01855	1.5
55.05500	4.2
57.03431	1.4
58.06579	0.8
59.04986	2.8
60.04523	0.5
61.02924	0.7
66.35885	0.5
67.05506	0.8
69.03426	4.4
69.07053	1.1
70.06584	5.8
71.01347	0.5
71.04962	1.4
71.78705	0.9
72.08137	1.5
73.02905	0.8
79.05500	1.1
81.03390	2.8
81.07067	0.8
82.06567	0.7
83.08603	2.3
84.04491	0.9
84.08130	4.2
85.02898	10.6
85.06509	2.0
86.06892	0.6
86.09693	1.7
87.04450	2.5
90.05511	0.6
91.05493	1.2
93.07057	0.7
95.04968	1.1
96.08109	1.6
97.02879	4.8
99.04435	2.2
103.05437	0.7
105.03394	2.6
107.04966	0.8
109.02851	2.5
109.06529	0.9
110.06035	0.5
111.08060	1.0
112.07599	6.2
113.05904	0.7
114.09148	2.0
116.07085	3.0
119.04906	0.9
120.08097	1.0
122.03628	0.9
123.04405	0.6
127.03905	4.6
127.07622	0.7
129.05507	0.5
129.09097	1.7
129.10132	0.6
130.08626	100.0
131.08961	1.0
136.05215	0.4
136.07547	2.3
137.05963	63.7
138.06306	2.3
140.03423	0.5
140.04662	0.8
142.08600	0.6
145.04965	2.4
149.05988	0.7
151.07529	0.8
160.09689	1.3
161.06033	0.5
163.03886	1.4
163.07549	1.4
167.06989	0.9
172.09639	0.7
175.07555	0.6
177.05437	1.0
181.08575	17.0
182.08977	0.6
199.05946	1.0
199.09650	2.1
208.09700	0.7
216.12346	0.5
235.14291	0.6
292.13901	4.5
378.17542	7.0
379.10486	0.8
379.14468	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	378.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07449	0.2
53.03915	0.4
55.01859	0.4
55.05501	3.1
57.03420	0.4
58.02909	0.2
58.06587	0.3
59.04992	1.9
60.04488	0.3
60.94928	0.2
61.02915	0.4
66.38610	0.2
67.05480	0.2
69.03414	2.4
69.07048	0.2
69.70425	1.6
70.06570	1.3
70.37922	0.2
71.04965	0.5
72.08142	0.5
74.93706	0.2
81.03381	1.2
82.06561	0.2
83.04976	0.2
83.08591	0.8
84.08131	2.8
85.02889	4.6
85.06522	0.6
86.06907	0.2
86.09724	0.3
87.04462	1.6
91.05427	0.3
95.04910	0.2
97.02875	2.2
98.06023	0.3
99.04409	0.9
101.92496	0.2
105.05500	0.3
107.04970	0.2
109.02853	0.9
110.05985	0.4
111.08044	0.4
112.07583	5.4
114.09118	0.2
115.51924	0.2
116.07072	0.8
118.55471	0.2
121.06520	0.2
127.03903	2.2
129.09099	0.9
130.08617	100.0
131.08957	2.0
135.04324	0.2
136.07555	0.7
137.05943	5.4
138.06238	0.3
145.04951	1.0
147.04427	0.2
163.03874	0.6
163.07500	0.2
166.77638	0.2
167.07069	0.3
181.08569	2.3
199.09650	0.6
203.12859	0.3
231.08528	0.4
235.14348	0.3
241.83846	0.2
249.09589	0.3
258.92477	0.2
289.10431	0.2
292.13861	4.7
378.17542	6.9
379.17786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
55.01862	1.2
55.93544	1.1
57.03430	1.5
61.02913	3.8
65.77416	1.2
67.05501	1.7
69.03417	4.2
70.06591	1.9
71.04972	1.1
71.51714	2.3
72.08138	1.3
81.03396	3.6
81.06989	1.0
85.02891	15.1
87.96437	1.0
91.03892	1.1
95.04958	19.0
97.02865	8.8
99.04431	1.2
101.84852	0.9
109.02871	2.7
110.03696	1.6
117.04073	0.9
120.08168	1.5
121.02852	2.1
123.04413	17.8
125.02354	4.4
127.03909	4.6
130.08612	4.0
137.05934	2.7
140.04657	94.4
141.04974	2.7
145.04948	4.4
149.01178	1.1
155.06993	38.9
156.07361	2.0
167.03400	2.2
173.08080	3.8
180.08659	5.9
180.10008	1.1
181.04926	9.6
181.08614	1.6
199.05984	100.0
200.06427	2.8
234.98932	1.3
261.66803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.05503	2.5
56.05022	1.5
57.03419	5.3
57.07059	3.0
59.25275	0.8
60.04513	2.1
61.00843	1.6
61.01141	27.5
62.63955	0.8
64.80969	0.8
67.05476	3.1
68.05009	1.1
69.07041	2.3
69.55649	0.8
70.06570	2.8
70.29597	0.8
70.39519	4.0
71.04975	1.4
72.04500	3.1
72.08137	1.2
73.02915	1.1
77.20365	0.9
78.03780	6.7
79.05481	5.3
81.03423	2.2
81.07044	61.2
82.07391	0.9
84.08141	1.6
85.02882	1.0
85.06528	3.6
86.06057	24.4
86.09704	5.0
87.02685	13.4
88.02201	3.0
91.05447	2.6
93.07024	3.4
95.04938	3.2
95.08566	1.6
97.02866	1.2
97.06479	1.2
98.06050	6.2
98.09627	1.2
99.08071	7.7
100.04020	1.0
102.03756	10.4
103.02191	1.7
103.05448	1.5
105.07016	3.7
107.04934	1.5
107.08563	1.6
109.02853	2.1
109.06504	1.1
109.10121	2.2
110.09687	4.3
113.05967	3.9
115.05785	11.3
115.08679	6.7
119.08601	1.0
120.04799	7.7
120.08087	32.2
121.10069	1.7
124.07562	2.1
125.07090	1.3
128.10677	1.7
130.08620	1.9
131.06323	5.5
131.08565	1.1
132.04768	4.5
132.08427	1.4
133.10127	2.2
134.06024	6.9
135.06776	1.7
135.11646	1.0
137.06007	1.2
137.09637	1.0
142.08620	9.6
143.08473	1.2
145.10068	3.0
149.07423	29.8
151.07457	1.3
152.10695	1.6
154.04965	3.1
157.10110	1.0
158.09988	12.2
159.08368	42.7
159.11732	1.6
160.08705	1.3
163.11182	2.4
173.09627	1.5
174.09277	2.1
174.11194	0.9
184.09674	3.7
186.09090	1.0
198.11261	1.7
199.13213	1.8
203.11887	5.5
211.12697	1.4
215.10652	1.2
223.10709	3.3
229.13675	40.1
230.13966	2.0
247.14737	100.0
248.15105	4.7
261.12576	1.1
265.55270	0.9
350.18542	6.9
359.19943	46.2
360.20209	3.7
377.15445	1.5
378.17862	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	377.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.7
55.01863	2.0
55.05492	4.1
56.17707	1.5
57.03422	16.1
57.07066	100.0
59.04985	2.0
66.83913	1.5
67.05490	13.1
69.03421	8.3
69.07050	4.2
71.01340	16.6
71.04974	2.0
71.53085	3.6
73.02904	22.7
75.04450	4.2
79.05453	3.8
81.03399	2.5
81.07041	7.3
83.01289	2.3
83.04971	2.6
85.02892	47.4
85.06573	1.9
89.06012	4.7
91.05441	3.4
93.07030	5.4
95.01312	10.3
95.04933	2.3
95.08559	4.7
97.02879	15.8
97.06515	1.8
99.00777	7.0
99.04418	3.3
101.02364	5.9
103.03921	5.6
105.06998	6.8
107.08617	3.6
109.02897	2.4
109.06533	2.1
109.10139	15.6
113.02354	16.4
117.06941	1.6
119.08552	5.9
120.08096	5.6
121.06499	1.6
121.10149	3.1
123.08097	2.4
124.72532	1.7
125.09637	2.1
127.11176	73.0
128.11496	1.7
129.06952	1.8
131.03384	10.7
131.08630	1.7
133.10130	4.0
134.05968	3.9
137.05957	2.8
141.01791	23.3
143.08527	2.3
145.04913	3.4
145.10120	4.7
145.12221	10.2
147.11609	2.0
157.10030	2.2
159.02869	5.9
159.06512	4.3
159.08110	1.9
159.11613	4.1
163.13229	1.6
169.04918	2.6
169.10112	2.8
173.09589	2.4
173.13237	1.9
174.09081	1.8
184.08740	1.6
187.06007	5.3
197.04407	4.0
201.14828	73.9
204.16129	1.5
215.05455	5.7
215.14195	1.6
219.15849	3.1
234.00731	1.4
243.15904	10.3
254.57564	1.6
307.72974	1.6
341.15796	2.0
350.18674	2.3
359.16968	7.8
359.21460	2.1
374.14346	1.6
377.18045	15.1
377.23483	3.2
377.32269	2.3
378.18613	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	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	0.9
57.03194	0.6
57.03431	7.3
59.04972	0.7
61.02920	3.2
66.03769	0.5
69.03420	12.7
70.06569	1.7
70.96979	1.6
71.01334	2.5
71.05002	3.2
73.02902	2.6
75.04471	1.7
81.03413	3.9
91.05497	0.7
99.04451	5.3
103.05400	0.5
112.07614	0.8
117.05480	0.6
120.08138	0.6
124.03937	0.9
132.05289	0.6
135.04356	0.6
137.05959	1.3
145.07608	1.3
151.03909	0.7
157.06387	0.5
159.09102	1.1
170.07132	0.9
172.08679	26.0
173.09103	0.9
174.10272	0.6
181.08551	3.7
184.65109	0.6
190.09760	1.3
197.12849	2.9
198.06618	6.2
200.08211	3.6
214.09720	0.6
216.07661	15.7
218.09271	1.2
243.08749	63.9
244.06946	0.8
244.09192	2.7
336.48489	0.6
359.13559	2.2
359.18042	0.6
377.14490	100.0
378.14914	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	377.1438
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.46401	1.0
50.71425	1.0
53.03930	3.1
55.01857	2.1
55.05500	2.8
56.05028	1.1
57.03418	4.2
57.07059	4.2
67.05502	4.8
69.03419	12.3
69.07060	1.6
70.02187	6.1
70.06577	8.3
71.01337	2.0
71.04980	61.6
72.05321	1.0
72.08151	1.1
73.02905	3.7
76.37289	1.0
79.05482	4.0
81.03412	16.0
81.07041	10.4
82.06573	1.5
82.20373	1.0
83.04958	2.0
84.08128	2.7
85.02891	24.5
85.06530	92.0
86.03230	1.2
86.06021	1.2
86.06858	1.8
86.09691	3.3
87.04455	1.2
89.06015	14.5
91.05463	3.3
93.07014	1.4
95.04947	2.8
96.08149	1.1
97.02871	14.1
97.06507	1.5
99.04440	100.0
99.08140	1.1
100.04790	1.7
105.06997	2.2
106.04295	1.2
107.08511	1.3
109.02866	15.7
109.06482	3.4
111.04427	3.0
112.07581	1.5
113.02354	2.1
114.05558	1.1
114.09158	6.1
116.07082	3.3
117.05484	8.8
119.04923	2.8
120.08072	1.4
121.06508	1.8
121.10178	1.2
127.03904	18.2
127.07521	10.1
129.10201	1.1
131.03352	1.3
131.04915	1.2
137.05957	19.1
137.56587	1.0
140.07097	1.3
141.01849	3.2
145.04951	4.5
145.08571	4.5
147.04419	2.4
149.05914	1.7
151.03900	1.5
151.07471	4.8
153.05420	2.7
159.06534	1.8
159.07968	1.2
161.05966	3.4
163.03889	3.4
163.07574	1.1
167.06990	3.7
171.06500	1.0
177.05440	1.6
179.07043	3.2
179.10663	1.8
181.08565	5.5
187.09634	6.7
188.07025	1.3
189.05458	2.3
197.07965	1.7
199.09727	2.1
201.11131	6.9
207.06519	5.0
215.05476	2.9
215.09142	4.0
225.07542	3.9
225.99600	1.1
233.10350	1.0
234.99327	1.0
235.09608	1.1
243.08627	4.6
243.12234	2.6
261.09637	3.0
266.76688	0.9
266.95715	1.1
267.82843	1.0
359.13269	6.2
377.14069	14.1
378.14685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18263	0.3
53.03935	0.4
53.05541	0.3
55.01869	0.4
55.05497	0.6
57.03424	2.3
57.07071	3.7
60.04504	0.3
67.05501	2.8
69.03413	1.2
69.07058	0.6
69.62177	1.6
69.62604	1.0
70.06586	1.5
71.01345	2.0
71.04947	0.3
72.08154	0.3
73.02908	2.3
75.04467	0.6
79.05479	1.9
81.03418	0.7
81.07047	8.5
81.38248	0.3
82.06606	0.3
83.04962	0.6
84.08128	0.3
85.02895	6.6
85.06532	100.0
86.06868	1.7
86.09716	0.7
89.18547	0.3
91.05486	1.0
95.01336	1.0
95.04937	0.6
95.86245	0.3
97.02887	2.8
97.06504	0.5
99.00812	0.5
99.04439	0.9
99.08085	1.7
101.02377	1.0
103.03935	1.0
103.05469	0.4
104.80412	0.3
109.02853	1.5
109.06509	2.4
110.07159	0.4
113.02339	2.0
114.09161	0.4
116.07118	0.5
117.05478	3.5
119.04918	0.7
120.01144	0.3
120.08154	0.4
121.06508	0.8
127.03893	1.1
127.07539	11.7
129.05502	0.3
131.03397	1.5
131.04915	0.4
137.05963	2.3
139.03909	0.5
141.01807	3.4
145.04997	0.8
145.08601	4.3
147.04442	0.5
149.05930	0.7
151.07559	0.8
153.05414	0.4
159.02925	1.3
159.06551	0.9
163.07634	0.4
165.06856	0.3
169.05019	0.7
171.06526	0.4
179.07050	0.4
180.07465	0.4
181.08563	1.7
187.06052	0.8
199.09639	1.1
201.11208	6.8
202.11629	0.5
204.09964	0.3
215.05481	2.4
215.07266	0.4
233.06628	1.1
243.12227	2.3
248.34344	0.3
285.13358	0.3
288.09717	0.3
293.08597	1.2
303.12341	0.3
341.12790	0.5
349.78207	0.3
359.13541	1.4
359.18289	0.3
360.14630	0.4
377.14230	9.0
378.14874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
56.96554	5.5
57.03421	3.7
58.99850	2.1
61.02916	3.9
69.03424	12.3
70.06593	2.1
71.04970	1.3
71.78989	2.0
71.95277	1.1
73.02915	5.8
77.00897	1.9
81.03413	2.7
82.99841	2.1
84.96003	1.5
85.02894	22.0
87.04471	1.4
91.03956	1.3
94.93012	1.3
94.99851	1.2
95.04938	1.3
96.08113	3.7
96.85126	1.1
97.02883	8.2
98.97562	9.1
99.04445	2.0
101.00872	22.0
103.02447	1.1
109.02862	1.9
110.01222	2.4
113.00835	7.5
114.08433	1.7
114.09155	15.4
116.98597	7.0
119.01900	73.9
120.01989	3.7
121.03390	1.0
127.03893	8.8
128.04251	1.4
128.98579	4.1
130.08614	6.1
131.01892	50.0
132.02022	2.1
132.03430	1.2
133.03482	3.2
134.99644	3.2
137.02934	10.0
137.05960	3.1
142.03447	2.0
143.01898	15.7
144.02049	1.5
145.01709	1.5
145.03496	8.9
145.04919	5.1
146.02299	1.2
146.99658	3.1
149.02960	11.8
153.04005	1.7
155.01845	16.3
157.03432	3.3
158.99660	5.4
159.05017	1.8
160.09674	10.0
161.01527	2.2
161.02940	23.2
162.03059	1.6
162.99236	1.2
163.03801	2.6
167.01895	4.9
169.03444	2.4
170.04951	1.5
170.99619	2.4
171.01361	2.7
171.05038	4.4
172.06502	1.6
173.01393	1.8
173.02936	36.8
174.03188	2.7
174.99113	1.4
175.01041	1.0
175.04550	1.7
177.00790	5.4
177.02075	1.2
183.04980	1.3
184.04860	1.5
185.02914	31.6
185.06496	1.4
186.03162	3.1
187.00873	1.5
187.04497	4.4
189.00682	3.8
189.02440	3.3
190.07498	1.7
191.02275	2.4
191.03940	9.1
192.05565	1.3
195.01411	2.9
196.04532	2.9
196.95235	2.6
197.02910	9.2
198.04449	1.5
199.04602	1.8
200.04448	6.8
201.00752	2.2
203.03978	10.8
206.04327	2.2
207.01639	2.0
209.04932	2.9
213.02443	26.0
214.02618	1.4
215.00325	2.8
215.04030	2.7
216.05457	8.3
217.05505	1.5
219.01759	4.9
221.05008	7.9
222.05536	1.3
225.02412	11.8
227.04010	1.7
231.03487	50.6
232.03746	3.2
233.01414	2.4
234.06548	5.3
235.01161	1.5
237.02837	3.9
239.00375	5.1
239.06271	3.8
243.03590	9.9
245.05145	2.7
249.02542	2.1
251.00339	3.3
251.02538	3.3
254.05101	2.4
257.01404	60.5
258.01587	3.2
258.06476	5.6
259.06564	3.2
263.06158	3.2
264.21173	1.3
264.57935	1.3
265.07758	2.3
269.01392	9.1
272.06549	3.4
273.04688	1.4
275.02457	100.0
276.02673	4.4
276.07480	2.2
276.98938	1.5
277.07687	1.2
279.03754	1.4
280.03073	1.7
281.07098	6.0
285.04282	1.5
287.02451	32.0
287.05392	1.1
287.07593	2.2
288.02350	1.4
295.14896	3.3
296.07651	1.4
298.04019	4.0
299.02228	2.3
305.03506	13.3
305.06799	2.1
310.04031	1.5
317.03354	7.3
317.08997	1.4
328.05081	2.0
329.03311	2.4
333.06543	1.5
341.15652	7.9
347.04666	1.7
359.04532	10.1
377.05563	25.9
377.11426	6.8
377.19147	2.8
378.05685	1.5
398.92303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
57.07067	31.9
58.07407	0.3
59.69028	0.2
69.51994	1.2
69.52402	0.4
71.04996	0.5
80.05025	0.2
81.07046	0.2
83.04965	0.4
85.02902	0.6
95.08592	0.2
98.21440	0.4
100.28260	0.1
100.46720	0.2
100.69537	0.1
102.09196	0.3
105.07051	0.2
106.66004	0.1
107.06089	0.2
107.27026	0.1
108.04444	0.5
109.10142	0.2
111.04438	0.4
119.08587	0.2
124.08717	0.4
125.07089	3.9
125.07964	0.3
126.05497	3.8
127.03915	0.2
129.05502	0.2
131.08597	0.2
134.07140	0.3
135.05528	0.3
153.05498	0.2
174.09120	0.2
191.11751	0.9
192.10347	0.2
208.14455	1.5
209.12827	11.0
210.11247	1.2
210.13103	0.3
210.84631	0.1
218.12859	3.8
219.11247	2.4
228.11232	0.2
251.53683	0.2
257.16211	0.2
260.15128	1.0
266.70587	0.2
270.27664	0.2
274.19119	0.5
275.17496	6.5
276.17953	0.2
292.20157	7.4
293.18484	7.3
294.18951	0.3
302.18585	16.4
303.18979	0.7
343.22455	0.4
358.24783	1.0
376.25888	100.0
377.26181	5.7
377.31143	0.3
393.28619	0.2
394.26926	3.6
395.27283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2371
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03932	4.6
55.01858	6.4
55.05503	21.3
57.03426	8.9
57.07058	3.9
58.06594	1.1
59.04988	3.2
61.02924	9.2
67.05493	8.7
69.03420	32.8
69.07056	36.3
69.55786	5.4
69.56216	4.4
71.04977	10.8
71.08612	0.9
73.02901	5.6
73.06522	1.2
74.77563	0.9
79.05494	5.1
81.03407	13.1
81.07047	26.6
81.07526	1.4
83.01340	1.1
83.04974	11.1
83.08610	9.2
85.02895	78.0
85.06533	20.1
87.04456	6.6
91.03938	4.0
91.05458	2.6
93.07027	13.2
95.04959	1.5
95.08593	40.8
96.08968	1.8
97.02876	26.0
97.06516	4.9
97.10149	11.6
99.04440	5.9
99.08080	24.1
101.02358	1.9
104.77657	0.9
105.07017	3.6
107.07889	1.9
107.08578	24.9
109.02873	9.0
109.06503	2.1
109.10142	17.5
111.08054	2.6
111.11060	1.0
111.11695	6.3
113.09617	7.4
115.03864	1.7
119.08585	1.7
121.10123	34.5
123.04369	1.1
123.08099	1.2
123.11678	8.9
125.09613	7.3
125.13314	1.4
127.03896	21.7
127.11167	2.6
133.10112	1.5
135.08035	1.4
135.11681	18.0
135.12622	1.5
137.05962	4.7
137.13229	20.1
139.03854	1.2
139.11143	7.6
145.04942	14.4
147.04396	1.2
149.13217	5.6
151.07550	1.6
151.14818	4.6
152.11145	1.0
153.12718	11.7
155.92625	1.0
163.07452	1.1
165.09088	1.2
167.06984	3.2
177.09119	4.0
177.16364	100.0
178.16740	4.2
179.07021	1.4
193.08624	1.9
195.17427	44.8
196.17755	2.0
213.18463	76.1
214.18791	3.6
375.23682	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	375.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27074	0.3
53.03936	0.6
55.01854	1.0
55.05502	1.0
56.07281	0.3
57.03411	1.2
57.07055	0.3
58.06605	0.4
59.57397	0.3
61.02903	0.3
65.03921	0.5
67.05482	1.5
68.99780	0.7
69.03426	3.6
69.07056	0.9
70.06570	0.7
70.42633	0.3
71.04990	0.6
71.79803	0.4
72.08143	0.4
73.02898	0.6
78.04703	0.4
79.05476	2.5
81.03407	3.8
81.07058	2.0
83.01349	0.3
83.04967	1.4
83.08595	0.6
85.02886	3.7
85.06528	0.4
86.09675	0.4
87.00792	0.5
91.05460	3.2
93.07027	2.3
95.04954	1.3
95.08599	2.1
97.02893	1.7
97.06528	0.7
99.04433	1.1
99.08047	0.8
102.65077	0.3
103.03913	0.5
103.05444	1.2
104.06232	0.4
105.07014	8.3
106.04144	0.4
107.04940	0.7
107.08569	2.6
108.05723	0.3
109.02875	2.9
109.06510	0.7
109.10167	0.7
111.04399	1.0
111.08064	0.4
114.09135	0.5
114.10265	0.5
114.17442	0.3
115.05444	2.4
117.07011	3.3
119.04934	1.8
119.08540	0.7
121.06473	2.3
121.10120	1.5
123.04420	1.7
123.08081	2.2
124.05184	0.6
127.03910	4.8
128.06232	0.8
129.06995	0.4
131.04913	0.4
131.08650	0.4
132.05669	0.5
133.06477	7.9
133.10098	0.7
134.07161	0.3
135.08018	1.5
135.11658	0.6
137.05949	2.5
139.03850	1.9
139.71667	0.4
143.08531	1.3
143.12183	0.3
145.06467	1.4
145.10153	0.5
147.04372	0.7
147.11700	0.3
149.05998	1.0
149.09589	1.1
149.13223	0.5
151.03839	1.9
151.07529	10.8
152.04674	0.6
153.05466	0.4
160.05257	0.4
161.05952	8.0
161.09677	0.4
162.06747	2.4
163.07486	0.7
165.09096	0.5
167.07019	14.8
168.07384	0.5
169.04999	0.4
171.08058	1.1
174.11307	0.5
175.07478	2.8
177.09085	100.0
177.16339	2.6
178.07970	0.5
178.09430	3.3
181.04787	0.5
181.08559	0.5
187.14699	0.3
189.09036	0.4
193.08578	41.5
194.08913	1.5
195.10147	6.4
195.17384	0.4
203.10626	0.9
213.03899	1.1
213.18489	1.1
219.08122	0.4
219.10072	0.6
221.11699	9.2
221.46611	0.3
231.04897	0.5
286.36127	0.3
309.11365	0.4
327.11871	0.3
329.14151	0.5
329.18765	0.3
357.13376	0.5
357.20493	0.5
375.14380	0.9
375.22766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.6
51.17107	0.6
53.03933	1.0
55.01852	1.4
55.05510	3.1
55.05718	0.5
57.03419	1.0
58.56499	0.5
69.03405	3.1
69.07047	1.2
71.04983	1.4
71.79204	0.8
72.08099	0.8
73.02911	1.4
77.61636	0.7
79.05479	0.8
81.03406	4.4
81.07022	2.6
82.06128	1.1
82.06564	12.8
83.04945	1.4
83.08607	1.1
84.04497	1.0
84.08134	8.0
85.02869	2.8
85.06494	0.7
86.09672	1.9
86.33199	0.6
91.05475	3.4
93.07014	1.1
95.04905	1.0
95.08576	1.5
95.34750	0.6
96.08109	1.7
97.02853	2.2
97.06506	1.1
98.09663	0.7
99.04408	1.0
102.03744	0.9
105.03365	1.3
105.06986	0.7
107.04919	1.8
107.08578	1.4
109.02859	2.4
109.06486	1.8
111.08062	1.0
114.09153	3.5
115.05463	1.4
117.06985	2.6
118.06525	36.2
121.06466	2.0
123.04436	1.9
124.07576	7.7
126.09137	2.1
127.03887	4.1
128.07054	51.9
131.04947	0.7
132.08075	0.7
137.05980	5.3
142.06601	3.0
142.08614	27.8
143.07327	2.7
144.04427	1.2
144.08066	21.3
144.10139	5.5
146.05983	100.0
147.06287	2.2
149.06107	1.1
149.07399	2.8
151.03906	1.2
160.07565	1.7
161.05989	1.2
167.07079	3.9
169.04881	0.6
170.05971	7.0
171.02917	0.8
175.07599	0.8
177.09114	1.5
177.16360	1.5
179.06990	1.0
188.05632	2.1
188.07065	96.8
188.09166	99.7
189.07364	2.1
189.09201	1.0
191.07124	0.7
193.08580	1.2
201.05470	0.7
213.03975	1.1
217.08670	0.9
253.08575	1.7
259.49396	0.8
261.12628	1.1
273.11258	1.2
285.11395	0.8
304.77155	0.7
327.11050	0.7
331.16608	2.6
357.13477	2.1
375.15500	52.9
375.19830	2.9
376.15720	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	375.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01855	0.8
55.05505	1.0
57.03427	0.5
57.07066	0.5
58.06578	1.6
59.04985	0.4
61.02892	0.6
62.85159	0.4
63.40984	0.4
67.05478	1.4
68.50778	0.4
68.99775	0.5
69.03419	3.4
69.07040	1.6
69.59828	1.2
69.60242	2.6
70.06568	1.7
71.01359	0.5
71.04971	1.6
79.05483	2.9
81.03408	3.5
81.07037	2.9
83.04978	1.2
83.08611	1.2
85.02888	3.6
85.06519	0.8
91.05471	2.9
93.07026	2.9
95.04954	1.3
95.08581	3.7
97.02859	1.9
97.06497	0.7
97.10154	0.8
99.04411	1.5
99.08061	1.7
103.03918	0.5
103.05442	1.0
105.07016	8.6
107.04927	1.5
107.08568	4.3
109.02866	2.8
109.06506	1.0
109.10160	1.9
111.04398	1.1
111.08041	0.9
115.05437	2.8
117.07001	2.9
118.04163	0.8
119.04897	1.1
119.08580	0.8
120.08127	0.5
121.06516	2.3
121.10123	6.4
123.04408	1.6
123.08018	1.5
123.11722	0.4
124.07555	0.5
125.09607	0.9
127.03895	3.9
128.04185	0.5
128.06177	0.5
131.04910	0.7
132.05727	0.9
133.06480	7.6
133.10098	0.6
135.07042	0.4
135.08026	1.5
135.11671	1.7
137.05939	2.5
137.13249	0.8
139.03925	0.8
140.77936	0.4
143.08560	0.9
145.06454	1.1
146.05965	0.5
147.04359	0.6
149.05934	0.7
149.09569	0.7
149.13300	0.6
151.03862	0.8
151.07510	10.1
152.07838	0.4
153.12727	0.4
161.05931	7.4
162.06773	2.3
163.03900	0.7
163.07520	0.8
165.09033	1.0
167.07021	12.9
167.08464	0.7
168.07341	0.8
171.08044	1.1
171.11604	0.4
175.07562	2.2
177.09082	100.0
177.16354	13.3
177.17923	0.7
178.06160	0.5
178.09427	3.4
189.09097	0.8
193.08575	39.7
194.08922	1.5
195.10161	6.5
195.17438	3.8
203.10637	1.4
213.03879	0.5
213.18465	4.8
221.11697	8.3
253.08325	0.5
256.06781	0.7
301.09055	0.4
313.10703	0.5
329.13538	0.5
330.10471	1.0
357.08325	0.4
357.13010	0.9
375.09561	0.5
375.14526	1.1
376.21100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1434
Annotation	Hydroxymatairesinol
Peak:m/z	Relative Intensity
52.43199	0.6
53.03942	0.9
55.01863	1.6
55.05488	1.0
57.03417	1.4
57.07086	0.8
65.03915	0.8
67.05488	1.7
69.03420	5.1
70.06586	2.9
71.04971	1.3
71.78768	1.1
71.79118	0.8
72.08142	2.0
73.02893	1.3
79.05473	2.2
81.03403	4.5
81.07049	1.8
83.01355	0.9
83.04953	1.6
84.04484	0.7
84.08124	6.7
85.02903	4.2
86.09699	3.7
87.00835	0.9
91.05437	4.2
93.07027	1.6
94.04172	2.0
95.04958	1.8
95.08639	0.8
96.04474	1.4
97.02892	3.6
99.04449	2.4
103.05458	1.8
105.03361	0.7
105.07016	4.0
107.04929	2.4
107.08587	2.5
109.02866	3.4
109.06490	1.5
109.10168	1.2
111.04434	1.8
114.09167	2.8
115.05437	1.9
116.07103	1.2
117.03348	0.9
117.07026	1.2
117.74046	0.7
119.04931	3.0
119.08588	2.0
120.08041	0.8
121.02847	0.8
121.06490	2.9
121.10145	1.1
122.03635	6.3
123.04433	1.7
125.05994	1.4
127.03905	11.9
129.10234	0.7
131.04935	5.3
132.05717	1.0
133.02843	0.9
133.06462	1.3
133.10088	0.9
135.04419	2.3
135.08081	2.4
135.11650	1.2
136.07524	0.9
137.05965	100.0
138.06303	2.7
139.03880	3.6
143.04915	1.3
145.04979	0.9
145.06488	1.5
147.04372	5.0
147.07983	1.4
149.05959	5.2
149.09592	1.3
150.06810	1.1
151.03885	3.1
151.07507	3.7
153.05499	1.5
154.30103	0.7
159.04422	1.6
160.05190	2.3
161.05966	26.8
162.06715	2.3
163.03915	2.7
163.07491	5.4
165.05460	2.3
165.06877	1.2
165.09100	0.7
165.50159	0.6
167.03365	1.2
167.07079	4.9
171.02954	0.8
172.05177	3.3
173.05954	1.5
175.07536	12.1
175.08928	1.1
176.04713	1.0
177.05466	2.7
177.09059	1.7
178.05983	1.0
179.07022	3.0
179.08531	1.5
187.07379	0.7
188.04665	1.5
189.45699	0.8
190.08618	2.0
191.07011	18.2
191.08687	1.6
194.07263	0.7
195.06555	2.1
195.10164	1.3
196.06845	1.0
197.08160	1.1
203.06999	24.5
204.07445	1.3
205.08501	1.1
206.07309	0.9
207.08067	1.7
208.09651	13.0
209.08084	0.8
210.06813	1.4
213.07446	1.2
213.11005	4.2
219.08226	0.9
219.10225	2.0
221.06070	1.1
221.08044	15.3
222.06871	1.0
224.08150	0.9
225.09119	1.1
229.08131	2.0
233.06012	1.7
233.08119	1.4
235.07529	1.6
235.09677	0.9
237.09087	1.4
237.11235	2.1
239.10677	0.8
247.07645	0.8
249.09137	1.9
251.07066	1.0
253.08640	2.6
265.08633	2.1
266.09360	0.8
267.10159	1.7
269.08212	1.4
277.08652	1.9
279.10019	1.4
285.11252	3.9
294.08917	1.3
295.09650	1.0
297.11319	4.4
305.03162	0.8
307.09634	0.9
309.11261	4.9
312.15695	0.8
325.10611	1.5
327.12479	1.7
339.12299	1.3
341.09882	0.9
343.11813	4.2
345.13406	4.3
357.13339	1.4
357.20810	3.6
375.15118	1.2
375.18420	1.1
375.22192	2.0
376.14001	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	375.1433
Annotation	Hydroxymatairesinol
Peak:m/z	Relative Intensity
51.13253	0.5
53.03938	0.8
55.01857	1.4
55.05507	0.7
57.03418	0.9
61.02919	0.6
63.41378	0.5
67.05470	1.0
68.99763	0.6
69.03417	4.4
69.07051	0.7
70.06578	1.5
71.04957	1.0
71.78782	0.6
72.08130	1.4
73.02897	0.9
79.05468	1.6
81.03408	4.0
81.07039	2.0
83.04955	1.6
83.08582	0.5
84.04489	0.9
84.08134	3.2
84.33406	0.5
85.02894	4.3
85.06536	0.8
85.99159	0.5
86.09695	3.4
87.10001	1.2
91.05436	2.7
93.07005	1.0
94.04150	2.1
95.01989	0.6
95.04937	1.8
95.08605	0.8
97.02862	2.9
99.04433	1.5
103.05449	0.7
105.07028	1.4
107.04938	3.5
107.08540	1.0
109.02845	3.4
109.06493	2.1
109.10147	0.8
111.04444	1.3
114.09148	2.1
114.10284	0.5
115.05433	1.3
117.07007	0.6
118.06527	2.7
118.50722	0.5
119.04915	0.7
121.06470	1.2
122.03610	6.1
123.04413	1.6
125.05922	0.7
125.09604	1.7
126.09134	1.3
127.03902	4.2
128.07088	1.8
130.08694	0.6
131.04886	2.1
132.08054	0.7
132.10138	0.8
133.02823	0.6
133.10469	1.1
135.04492	0.7
135.08060	0.9
135.11699	0.9
137.05959	100.0
138.06329	2.2
142.08632	1.3
143.04900	1.7
143.07300	0.7
144.08109	1.2
144.10182	2.5
145.02835	0.9
145.06436	1.2
146.03271	0.7
146.05995	4.7
147.04379	1.8
147.08015	0.6
149.05957	1.9
151.03885	1.5
151.07510	1.6
153.05476	1.3
153.73174	0.5
159.04495	1.1
160.05188	0.8
161.05969	5.7
163.07553	0.7
165.06979	0.6
167.07025	9.0
167.08342	1.1
172.05147	0.7
172.08693	1.1
173.05988	1.1
175.07530	4.1
176.04610	0.7
177.02835	0.6
177.05496	2.7
177.09068	1.6
178.05829	2.1
179.07014	1.0
179.08588	0.7
181.04950	1.1
181.06409	1.1
188.07068	5.5
188.09157	7.7
189.06909	0.6
191.07016	4.2
193.06538	0.7
193.08559	1.1
194.07224	0.6
201.05539	0.7
203.07202	2.6
205.06619	0.8
205.08485	0.8
206.07320	0.7
207.08060	1.7
210.06798	1.2
213.03896	1.0
216.07623	1.0
216.14156	0.5
219.08110	1.2
221.05949	2.1
221.08067	1.4
222.06741	1.0
223.07481	0.7
224.08189	0.9
225.09113	1.7
233.05861	0.6
234.06683	0.7
235.07481	2.1
237.09045	2.4
238.06168	1.2
239.07225	0.8
239.10646	0.8
243.08730	3.8
247.07510	1.0
249.09088	1.7
250.06213	0.8
251.07024	1.3
252.07858	1.0
253.08655	2.1
262.06699	0.6
264.07645	0.7
265.08499	2.6
266.09195	0.8
267.10104	3.6
277.08582	2.6
279.06448	1.0
281.08176	0.6
282.08963	0.6
285.11258	3.5
294.08896	1.1
295.09763	1.3
296.10092	0.6
297.11136	3.9
299.09482	0.6
299.12747	0.6
307.09634	1.1
309.11075	4.6
325.10593	0.7
327.12131	2.6
339.12271	1.4
345.13181	3.6
357.12833	2.4
374.69766	0.7
375.13553	4.3
375.20197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98002	0.9
53.03939	2.1
55.01865	4.4
55.05489	2.3
57.03416	2.6
58.06595	1.2
59.04974	1.8
60.04501	1.2
61.02909	1.9
65.03934	1.1
67.05473	2.1
68.99777	2.2
69.03421	8.4
69.07058	1.2
70.06515	3.9
70.06886	2.6
71.04984	2.3
72.08137	8.1
73.02908	2.4
74.06075	1.1
79.05466	2.3
81.03399	7.3
81.07041	1.3
83.04963	4.1
84.04489	1.9
84.08127	5.3
85.02889	15.6
86.09698	9.2
87.04446	3.5
91.05454	9.4
93.07015	2.8
94.04171	1.4
95.04958	2.7
96.08096	1.1
97.02883	7.9
98.21444	1.3
99.04439	3.0
100.37418	0.9
103.03924	3.2
103.05447	2.1
105.05470	1.0
105.06998	5.1
106.02887	2.1
107.04939	4.0
107.08578	5.6
109.02863	8.9
109.06535	2.0
111.04417	2.7
111.08047	0.8
114.09151	3.2
115.05487	1.4
116.07070	1.4
119.04913	4.5
119.08569	4.7
121.06495	3.4
121.10101	2.5
122.03649	5.2
123.04414	2.7
123.08042	1.8
124.03924	2.0
125.05954	2.7
127.03900	54.0
129.01729	1.0
129.10208	3.0
131.04929	5.3
131.08527	2.6
132.05559	1.1
133.02818	2.7
133.06479	1.6
133.10135	1.1
135.04375	3.2
135.07999	2.1
135.11600	1.0
136.03914	1.5
137.05962	100.0
138.06294	1.8
139.03903	2.2
139.07523	1.1
143.04918	1.4
145.04938	2.8
145.06490	2.1
146.03142	1.0
147.04391	7.8
147.08000	2.5
148.33824	0.9
149.05904	5.1
149.09602	4.0
150.06747	1.3
151.03894	8.1
151.07469	2.2
153.05437	2.5
159.04375	1.9
159.07979	1.2
160.05205	1.7
160.74423	1.0
161.05951	26.5
162.06740	2.7
163.03877	5.0
163.07550	2.4
164.04251	1.1
165.05437	2.7
165.06842	1.2
165.09062	3.2
167.06995	8.1
169.04990	4.4
171.11389	1.0
172.05161	2.8
175.03914	0.9
175.07504	8.4
177.05446	6.0
177.06757	1.0
177.09084	3.8
178.05792	2.9
179.07043	2.5
179.08469	1.1
188.04660	1.5
189.05466	1.4
189.07542	1.8
191.07005	7.7
193.04921	3.7
194.07201	1.2
195.06523	6.8
195.08229	1.9
195.10086	6.6
195.13634	1.0
196.06870	2.0
203.07004	20.6
205.06480	1.2
205.11882	1.2
207.08086	1.3
209.07983	1.4
213.11172	23.2
217.04897	2.6
219.08061	1.4
219.10124	1.8
221.06010	1.8
221.08011	15.4
222.06717	1.3
225.09198	1.5
233.07997	1.6
235.05763	1.9
247.07471	1.7
251.07104	1.9
253.08629	2.3
261.03802	1.1
265.08572	4.1
267.10068	2.5
269.08258	1.9
270.08954	1.3
273.11157	1.7
277.08563	2.7
283.09671	1.5
285.11209	3.7
291.05109	1.2
295.09464	1.3
297.11160	4.0
309.11154	4.1
325.10547	1.5
327.12180	2.2
339.11810	1.2
343.11700	3.8
345.13409	3.1
357.13220	1.9
357.20483	2.2
375.15906	4.3
375.21750	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	374.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01846	0.7
55.05486	0.7
57.03417	1.0
57.04085	0.4
61.02904	1.8
65.03929	0.8
69.03415	3.8
69.26409	0.4
70.93247	0.4
71.04947	0.8
71.08157	0.5
71.08511	1.1
71.60130	0.5
73.02894	0.8
79.05484	1.5
81.03397	1.9
83.32917	0.5
85.02891	12.8
87.04475	0.6
91.03929	0.5
91.05477	2.1
93.03375	0.9
95.04910	0.4
95.08569	0.6
97.02876	4.3
99.04394	0.7
103.05449	7.5
105.06998	2.9
107.04935	9.7
107.08521	0.5
109.02859	1.7
111.04430	1.1
115.05406	1.3
117.06953	0.7
119.04907	0.7
120.05688	1.6
121.06472	1.3
127.03873	3.3
131.04907	2.1
133.06410	0.5
135.08029	9.6
137.05905	0.9
139.03867	5.1
145.04948	4.0
147.04413	1.3
147.38982	0.4
148.05121	1.4
148.53699	0.4
152.40701	0.4
154.06216	44.3
155.06560	1.3
163.07509	33.1
164.07877	1.2
165.05466	1.3
167.07002	1.7
177.09056	1.9
180.07657	8.3
193.08545	0.6
195.10133	100.0
196.10484	4.7
213.11111	0.5
232.13101	0.5
298.10657	0.4
375.15445	0.5
375.19827	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77574	0.6
53.03936	1.4
55.01845	1.3
55.05493	0.8
57.03419	1.8
57.67231	0.5
67.05472	1.3
67.21696	0.5
68.19068	0.5
68.99773	0.6
69.03417	4.7
70.06571	2.4
71.04964	0.8
71.79269	0.6
72.08120	1.0
73.02894	1.5
79.05460	2.1
81.03420	4.2
81.07031	1.9
82.06585	0.6
83.04955	1.2
84.04456	1.6
84.08137	4.2
85.02895	4.1
85.06515	1.0
86.09693	3.5
87.00824	0.8
87.10023	0.8
91.05437	2.7
93.07042	1.1
94.04153	2.0
95.04952	2.4
95.08592	0.6
97.02866	4.4
97.06477	0.5
98.09727	0.6
99.04426	2.0
103.05441	1.0
105.07001	1.6
107.04929	2.0
107.08543	1.2
109.02856	2.9
109.06491	1.9
109.10120	1.4
110.07051	0.6
111.04435	1.2
114.09167	1.9
115.05437	1.6
117.07027	0.8
118.06525	2.9
119.04922	0.8
121.06493	1.3
122.03621	6.9
123.04479	1.3
125.09629	1.1
126.09172	1.4
127.03892	5.1
128.07076	2.3
130.06461	0.6
131.04895	2.5
133.02832	0.9
133.06473	0.6
135.04393	1.1
137.05956	100.0
138.06306	3.0
142.06505	0.7
142.08682	0.7
143.04865	1.0
144.08038	1.3
144.10182	2.7
145.02888	0.8
145.06465	0.9
145.23650	0.5
146.03238	1.0
146.05981	6.9
147.04433	1.3
147.08061	0.7
149.06000	1.8
151.03893	1.3
151.07498	1.5
153.05447	1.3
160.42821	0.6
161.05925	4.7
163.07512	1.0
165.05460	0.8
165.06979	1.2
167.07011	10.4
167.08395	0.6
170.06000	1.0
172.08665	1.5
173.05969	1.0
174.06882	0.8
175.07570	3.1
177.05505	3.5
177.09084	1.8
178.05806	2.5
178.07660	0.9
179.07030	1.1
179.08492	1.2
181.04987	0.7
181.06392	1.2
182.06973	0.6
187.07518	0.8
188.07054	6.4
188.09161	7.8
191.07034	6.1
193.06430	0.8
194.07243	1.2
195.08035	0.8
195.13832	0.9
201.05540	0.7
203.06989	2.4
205.06487	1.1
207.08018	1.8
210.06821	1.3
211.07581	0.9
213.03883	1.0
213.14784	0.7
216.07568	0.8
216.14236	0.8
219.08020	0.9
219.09959	0.7
221.05948	1.7
221.08087	1.5
223.07445	1.2
224.08359	1.0
225.09140	1.3
231.05057	0.7
233.05969	0.9
234.06705	1.3
235.07446	2.1
236.08287	0.9
237.08981	2.0
238.06136	0.6
238.09616	0.6
239.10693	1.1
243.08752	3.8
244.51772	0.6
247.07561	0.8
249.09132	1.7
250.06183	1.1
251.07011	1.3
252.07648	1.0
253.08545	3.0
263.06979	0.9
265.08521	2.8
267.10135	3.1
269.11670	0.6
277.08517	3.5
278.09033	0.6
279.06613	0.8
279.09998	1.3
282.08560	0.6
284.10278	0.9
285.11322	3.1
294.08795	1.4
295.09518	1.9
297.11230	4.0
299.12772	1.1
307.09436	1.0
309.11182	6.9
313.10507	0.8
315.12256	0.7
325.10559	1.4
327.12061	2.6
331.16400	0.8
339.11938	0.7
345.13345	3.9
357.12405	3.3
357.20538	1.2
375.13248	4.0
375.20389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	5.0
63.72573	0.5
67.05459	0.7
69.03377	1.7
70.06548	1.1
71.79557	0.6
71.93309	0.4
72.08094	1.4
81.03402	2.5
81.07003	0.7
83.04919	0.6
84.08085	0.9
85.02843	1.7
86.09642	1.4
91.05408	0.7
95.04913	0.6
97.02843	1.2
97.06502	0.7
99.04399	0.5
100.11214	0.7
105.07032	0.5
105.28963	0.5
107.04887	0.6
109.02834	1.8
109.10029	0.5
111.04387	0.9
114.09133	1.0
114.12743	0.5
121.10094	0.7
122.05988	0.6
127.03884	2.5
128.06119	0.5
137.05916	1.1
139.03865	1.1
146.05917	0.5
147.04378	0.7
151.03871	0.5
153.06905	0.5
155.08478	0.7
163.03848	1.3
165.07040	0.7
165.09186	0.6
167.04813	0.6
167.06953	1.6
167.54977	0.5
168.05659	1.5
171.08047	1.4
175.07452	0.5
177.05373	0.5
177.09079	0.5
178.07755	0.7
181.06483	0.7
184.05133	1.1
188.07117	0.8
193.06311	0.7
195.04433	1.2
195.08003	0.6
196.05263	0.6
197.05975	1.3
199.07445	1.5
207.07922	0.7
209.05977	1.0
212.04642	3.6
213.05412	2.0
216.04015	0.7
221.05983	0.7
223.03789	2.4
225.09004	0.6
226.06313	0.6
227.03378	3.7
227.06950	4.4
234.07411	0.5
236.04652	1.6
237.05362	1.4
238.06241	1.1
240.04143	2.7
241.04947	3.1
243.10126	0.9
251.06967	2.0
252.07780	1.8
253.08568	1.9
254.05711	5.5
255.06476	63.5
256.06882	3.2
269.08078	0.9
271.06110	0.5
279.06470	0.6
297.07446	1.5
311.09036	3.6
314.07764	18.7
315.04935	0.6
315.08209	0.8
326.11075	0.5
329.10129	100.0
330.10391	4.6
337.11246	1.0
374.15952	30.7
375.06885	0.9
375.16345	1.3
392.44522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.31196	0.2
55.05500	0.4
56.05025	0.3
56.47622	0.2
57.03427	0.7
58.06586	1.1
61.02904	0.3
61.74141	0.2
66.82142	0.3
67.05486	0.4
68.05018	0.6
69.03419	2.4
69.07034	0.5
69.48827	1.8
69.49243	0.6
70.06583	1.8
71.01348	0.2
71.04982	0.8
72.08144	1.3
73.02905	0.9
75.55604	0.2
79.05469	0.5
80.05017	1.2
80.51775	0.2
81.03403	5.2
81.07061	1.2
83.04969	1.1
84.04452	0.4
84.08134	1.5
85.02891	4.7
86.09692	9.9
87.04438	0.3
87.10007	0.4
91.05457	0.6
93.07062	0.6
95.01327	2.3
95.08572	0.5
96.08936	0.4
97.02875	3.7
97.06477	0.3
99.04434	1.0
105.07021	0.4
107.04940	0.5
107.08588	0.6
108.04462	2.1
109.02842	3.1
110.06033	1.0
111.04561	0.3
114.09151	0.5
114.10288	0.4
116.07063	0.9
118.96449	0.3
119.04889	0.5
119.08555	0.7
121.06500	0.5
121.10088	0.3
122.02383	0.4
123.04402	0.5
123.08038	0.4
124.07555	0.5
124.08376	0.3
126.05503	1.9
126.50487	0.3
127.03899	2.8
129.10254	0.8
130.04970	0.5
130.08641	2.7
131.04863	0.2
131.12904	0.3
135.04451	0.3
135.08009	0.3
136.03915	100.0
137.04274	2.1
137.05942	1.1
137.09586	0.3
140.05298	0.3
145.02823	0.7
145.04935	0.9
146.05980	0.3
146.30704	0.3
147.04378	2.4
148.06029	0.7
148.07600	0.3
149.09610	0.7
151.40526	0.3
152.07047	0.3
153.05568	0.3
154.04967	49.3
155.05289	1.1
165.09103	0.6
167.07011	0.4
177.05415	2.0
177.09216	0.5
178.08577	0.3
194.08115	0.3
195.06583	1.2
195.10164	0.6
196.09755	0.4
198.12056	0.3
199.03917	0.3
199.17999	2.1
202.06009	0.3
212.12747	0.4
213.11198	2.9
223.44144	0.2
227.17447	1.5
238.07010	0.5
243.71263	0.3
250.47614	0.2
261.14404	0.6
262.07025	0.4
277.16675	0.4
280.08133	14.3
281.08228	1.0
298.09164	11.6
299.09399	0.5
304.53317	0.2
320.11005	0.3
374.15057	3.4
374.19489	2.3
374.69543	0.7
375.12317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05497	0.7
56.05026	0.3
56.96551	4.3
57.03414	0.8
58.99851	0.4
61.02908	1.8
69.03412	1.0
70.06567	1.0
70.87339	1.0
70.98102	1.1
71.01367	0.3
72.33237	0.3
73.02894	0.7
74.97601	0.5
81.03393	0.6
81.90647	0.3
83.04982	0.4
84.04471	0.7
84.08121	2.5
84.96009	0.9
85.02887	2.8
86.09677	1.4
86.99243	0.5
87.05556	0.4
88.99148	0.9
91.02448	0.6
91.05418	0.4
93.07039	0.6
94.06560	0.6
96.08115	1.0
97.02863	1.0
98.09674	0.3
98.97575	2.9
101.00837	0.7
103.05418	0.5
106.02908	0.3
109.02829	0.4
109.03474	0.4
110.97578	0.7
111.00225	0.7
112.07561	2.1
114.09155	5.0
115.02394	0.6
115.03843	0.3
116.00258	0.4
116.98605	1.9
117.01840	2.6
118.00976	0.8
119.01890	4.0
121.06488	15.0
124.03917	1.4
126.00716	0.7
127.01524	1.7
127.03889	0.8
128.98596	1.5
129.10204	0.9
130.08621	9.5
131.00148	0.3
131.01892	1.7
132.00705	0.3
133.01515	0.9
133.03435	1.5
133.06067	0.6
134.99646	0.9
135.01210	0.4
136.02058	0.4
136.06146	0.9
137.02919	0.5
138.09109	4.6
138.12943	0.3
142.01984	0.4
143.00131	0.7
144.10136	0.3
144.98117	0.4
144.99704	0.6
145.03465	0.9
145.04935	0.4
146.99591	1.7
147.01346	0.7
147.05797	0.5
148.07553	0.8
149.01164	0.3
149.02937	2.8
152.02322	0.3
152.05672	0.9
154.00253	1.7
155.01915	0.7
156.01775	0.7
156.05055	1.9
156.99710	0.3
157.02541	1.0
158.99641	0.9
159.01257	0.4
161.01128	1.3
161.02930	1.5
163.00743	0.5
163.04526	0.7
164.07021	0.4
165.00702	1.2
165.54549	0.5
166.00166	0.7
167.01025	0.9
167.03983	0.7
168.01814	0.3
169.00784	0.4
170.04883	0.9
170.06593	1.5
170.99643	0.4
172.06445	1.0
172.08157	3.4
172.09604	0.7
172.94324	0.5
172.97583	1.3
173.01100	0.9
173.02971	1.1
174.06165	2.0
174.55154	3.7
174.99234	0.5
175.00783	2.8
176.01430	1.2
176.07057	0.9
177.00714	1.3
177.02325	0.7
180.05139	0.4
182.01540	0.6
183.55702	2.1
184.01331	0.4
184.05972	0.4
186.04379	1.5
186.05959	0.6
186.99153	0.4
187.00778	1.2
188.06036	0.8
188.07654	15.1
189.00706	0.8
189.02396	1.2
189.07845	0.7
190.07492	1.9
190.09232	3.7
190.95451	0.8
190.98579	2.1
191.03973	0.7
193.01945	0.5
194.06573	1.2
194.08124	1.4
196.01280	3.4
196.51407	0.4
197.02025	1.1
197.05296	1.1
198.04305	0.4
198.07587	0.9
200.07671	2.8
202.09267	1.5
204.05382	1.1
204.07187	2.3
205.00153	1.0
205.01822	4.1
205.52158	0.6
206.02522	1.2
206.06789	0.9
206.08713	13.7
207.03464	0.4
207.08911	0.5
208.96236	0.4
211.01793	0.5
211.06786	0.9
212.07625	17.6
213.07999	0.9
214.02303	0.4
214.09190	1.3
216.05382	3.6
216.07175	3.6
217.01929	1.1
218.02443	0.6
218.08720	1.0
219.01741	1.0
219.03523	0.7
221.04965	0.8
223.01248	0.7
223.55118	1.8
224.05409	0.5
224.07646	3.4
226.02228	1.8
226.09200	2.4
226.52518	0.4
227.03073	1.0
229.07919	0.6
230.08707	44.7
231.08928	3.2
232.10417	0.5
232.96399	0.5
232.99641	0.6
234.06294	2.0
234.08331	1.4
235.02867	1.4
235.09300	0.4
236.03922	0.4
236.07721	0.5
237.02753	1.0
238.02330	1.1
240.07111	0.7
241.02740	0.8
242.08707	25.6
243.08943	1.4
244.10316	2.9
245.01370	1.7
247.03055	1.9
248.03697	2.0
248.07623	0.6
248.09773	1.1
250.03293	0.6
253.10258	1.0
253.56226	3.0
254.08720	28.0
255.08981	1.8
256.03091	1.7
256.05710	0.5
256.10245	1.9
257.04114	1.6
258.08337	1.7
259.03049	0.6
260.09686	1.1
263.54910	0.4
266.08682	4.2
268.56793	1.9
272.09711	7.5
273.00931	1.6
273.10049	0.6
274.56754	2.3
274.97192	0.4
277.04022	0.4
283.57324	0.7
284.07153	0.6
284.10013	0.4
284.57950	0.9
287.02753	0.7
304.06802	0.7
305.03403	1.7
314.10791	20.7
315.01904	1.4
315.10950	1.7
332.11844	100.0
333.03119	0.7
333.12051	7.0
346.08044	0.6
350.03665	0.4
355.13452	2.5
356.13614	0.5
374.12985	4.9
374.19180	1.2
374.23953	0.7
375.13065	0.6
375.18692	0.4
392.05527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
55.01868	0.4
55.21524	0.3
57.03429	3.2
69.03405	1.0
70.06575	0.5
71.01345	4.2
71.52469	0.7
73.02908	5.3
75.04462	0.4
78.03447	3.3
79.04207	0.4
80.05011	2.9
81.03398	0.5
83.01342	0.8
85.02895	10.9
86.09696	0.6
95.01319	5.3
96.04478	2.7
97.02876	1.3
98.97552	0.5
99.00800	0.9
101.02367	1.9
103.03947	1.4
103.70684	0.3
106.02901	21.5
113.02353	3.9
123.00729	0.5
124.03938	100.0
125.04292	2.3
127.07312	0.3
131.03394	2.8
141.00677	0.5
141.01811	10.9
159.02921	2.1
180.06535	16.6
180.08145	0.8
181.06853	0.6
198.07593	89.1
199.07915	3.7
279.83755	0.4
311.13342	0.4
374.10748	11.5
374.15457	0.8
375.11044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03939	2.8
55.01860	2.5
55.05503	11.9
57.03419	3.8
57.07070	2.4
58.06584	4.0
61.02914	2.2
61.39940	1.9
67.05495	18.3
69.03429	15.9
69.07053	14.6
70.06563	2.7
71.01376	2.0
71.04991	6.7
71.79652	3.3
73.02888	2.5
79.05474	9.6
81.03407	6.6
81.07044	26.3
83.04982	10.6
83.08610	6.2
85.02892	18.5
85.06518	5.3
86.09694	4.7
91.05457	11.4
93.07030	16.6
95.04969	6.7
95.08601	38.3
97.02880	6.7
97.06508	2.8
97.10191	2.7
99.04412	1.9
99.08086	3.9
100.31799	1.6
103.05479	4.0
105.07022	13.7
107.04928	4.4
107.08593	26.8
108.08122	2.3
109.02861	7.7
109.06496	11.4
109.10148	92.5
110.10451	2.5
111.08080	4.1
113.02340	2.8
113.09617	2.3
117.07000	4.1
119.04942	4.2
119.08568	33.5
120.08894	1.8
121.10132	18.7
123.04420	5.1
123.08042	14.6
123.11694	12.4
124.05191	3.2
125.09602	3.3
127.03903	4.3
127.11142	1.8
129.07043	1.9
131.04918	10.6
131.08594	4.3
133.06519	3.4
133.10109	23.8
135.08018	3.1
135.11682	79.3
136.11975	2.0
137.05968	9.6
137.09596	17.7
139.11230	3.9
141.09177	1.7
143.08569	2.2
145.02831	3.4
145.04932	3.0
145.06516	3.1
145.10056	3.7
147.08124	2.6
147.11671	5.3
149.06013	3.1
149.13266	8.5
150.06702	2.3
151.07521	2.4
151.11188	13.2
151.14810	11.0
153.12720	2.2
159.08092	3.0
161.05925	3.1
163.03949	2.1
163.07523	8.2
167.07031	56.0
173.05969	3.9
173.13216	2.4
175.07567	5.1
175.14799	39.5
177.05447	4.4
180.07678	1.9
181.04927	2.2
189.05455	1.7
193.08557	3.1
193.12271	2.3
193.15883	54.6
201.05455	21.2
202.05882	2.2
204.36948	1.7
205.06381	1.8
211.13437	3.4
211.16907	100.0
212.17288	3.1
219.06389	3.9
235.07501	2.9
237.09052	3.4
251.81799	1.9
253.08809	2.6
255.06584	2.6
259.65237	2.4
261.05576	1.8
265.08475	2.1
267.11157	1.9
293.08038	3.5
297.11203	2.9
313.11566	5.7
325.10687	7.0
329.10098	4.5
331.26074	2.1
337.10663	2.5
343.11676	6.3
355.11792	6.1
364.06882	1.9
373.13611	19.2
373.27359	7.7
374.15750	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	373.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01871	0.9
55.05503	2.7
57.03428	1.5
58.06588	1.8
61.02903	2.1
64.30878	0.7
67.05486	2.9
69.03418	2.6
69.07063	3.8
69.44466	6.6
69.44867	1.3
70.06586	1.0
71.04978	1.6
76.02235	0.7
79.05492	4.0
81.03393	2.1
81.07049	10.7
83.08603	1.4
84.08125	0.9
85.02896	12.3
85.06544	0.9
86.09650	0.7
91.05461	4.0
93.07035	5.1
93.40479	0.6
95.04942	1.9
95.08600	13.1
97.02885	4.5
97.06501	1.2
98.21398	1.2
99.08088	3.5
105.07023	10.5
107.04949	1.0
107.08591	8.6
109.02872	1.4
109.06487	1.6
109.10148	3.4
113.09643	1.8
115.05424	1.3
117.03370	1.0
117.06995	1.0
119.04891	1.1
119.08572	45.3
120.08940	0.8
121.10104	2.0
123.08061	1.7
123.11697	1.7
127.03901	2.8
130.06805	0.9
130.08679	0.7
131.08517	1.6
133.10120	53.3
134.09583	0.8
134.10466	2.0
135.11679	12.0
137.05963	3.0
137.09589	1.3
145.02780	1.1
145.04961	2.4
145.10127	0.9
147.04414	0.7
147.11636	3.4
149.02328	20.6
149.13205	0.7
153.05379	0.9
154.06833	0.8
167.07037	2.2
175.14812	100.0
176.15164	3.9
177.05476	4.1
193.15883	10.8
195.06476	2.9
197.09193	0.9
201.05518	4.9
202.05908	0.7
211.16895	6.8
219.06575	1.2
252.14081	3.6
270.15259	1.1
307.09448	0.9
313.11542	0.8
315.25616	0.7
325.10657	1.5
355.11981	1.4
355.16687	3.0
373.13394	2.7
373.17908	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	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01869	3.5
55.05507	19.2
57.03424	4.8
57.07045	4.2
59.04991	2.5
61.02901	4.7
65.03911	3.0
67.05503	19.4
69.03419	16.4
69.07061	38.3
71.04984	13.5
71.14590	4.3
72.08147	3.9
73.02917	2.9
79.05479	23.3
81.03414	14.1
81.03812	2.0
81.07043	38.0
83.04986	5.2
83.08602	12.4
85.02896	26.8
85.06535	7.9
91.05453	22.2
91.05846	1.8
93.07038	55.0
93.07645	2.9
94.06565	7.1
95.04975	12.8
95.08595	50.0
95.38393	2.2
96.08098	2.1
97.02879	10.4
97.06532	16.0
99.04460	3.2
99.08079	33.7
103.05459	5.7
105.07014	34.1
107.04932	4.8
107.08580	80.5
109.02876	9.1
109.06520	19.1
109.10139	23.5
111.08058	8.1
113.09621	5.0
115.05446	3.2
117.03351	3.6
117.06991	6.2
119.04922	5.5
119.08570	56.4
121.06532	3.1
121.09277	3.0
121.10128	46.2
121.10969	3.6
122.03663	3.6
122.06018	9.3
123.04347	2.8
123.08071	14.6
123.11692	29.6
125.06003	3.5
125.09682	4.1
127.03900	5.6
131.04948	6.4
131.08554	9.0
133.06516	4.8
133.10107	81.7
135.04436	3.3
135.08020	7.3
135.11676	51.4
137.05966	47.3
137.09593	16.0
137.13211	3.6
138.06290	2.8
139.03918	3.8
139.11105	2.6
143.08510	4.3
144.04492	4.9
145.02803	2.8
145.04977	2.6
145.06493	4.6
145.10141	9.6
147.04387	6.7
147.07973	3.4
147.11674	16.2
149.05939	5.9
149.09584	4.2
149.13229	86.6
151.03925	9.7
151.07501	4.0
151.11163	10.5
153.05473	9.3
153.12756	5.2
155.10703	5.0
157.10118	4.8
159.11685	8.0
161.05934	4.9
161.13196	5.2
162.06703	2.6
163.03824	2.6
163.07515	4.5
163.14867	4.6
167.03355	5.6
167.07030	25.2
167.14272	3.0
171.11665	6.3
172.03943	17.9
173.05965	5.3
173.09624	2.3
173.13326	5.7
175.07568	6.3
175.11406	2.8
175.14803	87.9
176.15128	3.8
177.05482	9.9
177.09047	3.8
177.12749	11.1
179.07057	3.1
187.14778	4.0
189.16225	2.9
191.07057	4.2
191.14287	3.7
193.04988	3.8
193.08507	2.8
193.15862	79.7
194.16158	2.8
195.11842	2.7
197.13229	3.8
201.05437	43.2
201.16460	3.0
204.06525	31.8
205.06714	3.9
205.08563	4.2
206.07912	2.8
211.16902	100.0
214.09268	2.3
216.17773	2.5
217.15837	2.9
219.06564	7.6
221.06004	2.5
223.07681	3.1
229.14201	2.8
235.07436	3.2
250.06161	3.2
253.08524	3.5
255.06532	3.6
265.08398	3.6
266.08829	3.4
281.07980	3.0
286.08313	3.0
293.08008	7.6
297.11392	2.8
302.10574	3.4
307.09641	3.5
313.11533	5.3
313.25125	3.5
323.09006	2.4
325.10605	12.7
327.12152	4.3
331.26297	16.1
337.10309	2.5
341.13840	2.6
343.11603	6.8
345.13269	3.0
355.11432	10.4
355.15353	3.9
355.26352	8.2
373.12598	20.4
373.22708	3.6
373.27356	68.3
374.13718	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01859	7.0
55.05500	23.3
57.03423	14.3
57.07069	2.7
58.06595	2.0
59.04988	12.3
61.02916	4.9
65.03896	1.7
67.05490	30.3
69.03417	24.4
69.07054	19.9
69.74809	8.1
70.06572	7.2
71.01342	11.9
71.04980	11.1
71.33742	1.2
72.08134	11.8
73.02903	12.9
75.04451	2.9
79.05480	23.3
79.05930	2.3
81.03410	12.6
81.07041	100.0
82.07371	2.3
83.01353	1.8
83.04962	92.5
83.08623	3.8
83.32195	1.2
84.04501	1.7
84.05276	1.2
84.08128	16.6
85.02889	63.7
85.06535	3.4
86.03185	1.4
86.09678	11.6
88.03977	1.7
91.05455	9.6
93.07031	20.8
95.01306	7.3
95.04955	12.0
95.08587	77.2
97.02876	17.0
97.06502	5.6
99.00820	3.9
99.04435	14.5
99.08046	3.1
101.02370	4.1
103.03941	5.0
103.05440	2.1
105.03377	36.6
105.07023	14.1
106.03754	1.3
106.73711	1.1
107.04931	3.9
107.08575	22.3
109.02811	6.0
109.06499	9.9
109.10138	33.8
111.08071	7.1
113.02343	11.3
113.05992	2.2
113.09620	1.8
114.09151	1.8
115.03902	1.4
115.05444	2.3
116.07082	2.0
117.03316	1.4
117.06988	3.1
119.04917	2.8
119.08552	32.7
120.22704	1.2
121.06517	3.7
121.10130	15.1
123.04404	5.2
123.08048	42.3
123.11670	10.9
124.08386	1.3
125.09624	6.6
127.03891	14.8
129.05463	2.6
129.06947	1.6
129.10210	14.2
130.08577	2.3
131.03362	6.5
131.08598	3.0
133.06456	2.6
133.10103	38.8
134.10541	1.4
135.04408	3.3
135.08046	4.2
135.11667	24.4
135.12630	2.3
137.05959	7.8
137.09584	40.3
137.13223	2.6
139.11148	1.9
141.01778	12.1
141.09056	6.9
145.02802	5.6
145.04921	5.7
145.06410	3.0
145.10135	2.1
147.04396	4.2
147.08008	5.7
147.11655	3.7
149.05986	3.1
149.09607	2.5
149.13240	4.5
151.03848	1.6
151.11192	3.3
151.14786	1.7
153.01768	2.0
153.09122	2.0
153.12715	1.7
155.10637	41.4
158.03600	2.2
159.02847	3.3
159.06546	1.4
159.07976	1.7
159.11674	1.3
161.05954	3.3
161.09589	2.0
162.06636	1.4
163.03870	10.1
163.06035	1.9
163.07504	3.4
165.05479	1.4
165.09105	3.4
165.16357	1.3
167.06996	4.3
169.04895	1.5
173.06018	2.9
173.09628	2.0
175.07539	3.4
175.14787	56.0
176.15161	2.8
177.05412	9.9
177.09030	1.7
177.16379	11.7
179.07018	19.9
185.08084	1.3
187.05956	1.3
189.09087	1.6
193.15849	90.7
194.16180	2.1
195.06525	4.3
195.17502	3.0
197.08090	5.0
197.11693	17.9
197.13329	1.7
198.12074	1.6
199.07761	1.4
201.05441	12.4
203.05193	2.0
207.06512	2.0
209.06026	1.6
211.06013	2.2
211.14612	1.3
211.16898	6.1
215.05475	2.9
215.12871	1.6
219.06497	2.0
225.09200	1.8
235.07565	1.8
242.18547	1.5
251.06929	2.4
253.08675	3.0
265.08585	1.8
293.08133	1.6
299.14874	3.5
313.10703	1.8
323.08850	1.9
325.10641	5.2
329.10306	3.0
341.10187	1.8
343.11795	1.5
355.11691	4.2
373.14029	8.1
373.18387	32.2
373.28033	5.0
374.15417	7.0
374.19434	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	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.0
55.01855	5.5
55.05503	22.2
57.03436	15.1
57.85599	1.6
58.06594	4.7
59.04998	11.0
59.18929	1.5
61.02910	6.7
65.03934	2.4
67.05495	31.6
69.03421	27.9
69.07057	20.1
70.06589	11.5
70.12794	2.6
70.13202	6.5
71.01337	10.9
71.04978	9.2
72.08136	13.4
73.02908	16.9
75.04472	3.4
79.05482	27.0
81.03403	13.1
81.07045	100.0
82.07379	3.2
83.01321	2.0
83.04968	94.5
83.08605	3.9
84.04481	2.8
84.08129	24.8
85.02374	4.1
85.02896	81.5
85.06505	2.8
86.09685	17.1
91.05428	10.9
93.05522	1.7
93.07041	23.1
95.01317	7.7
95.04947	14.6
95.08597	76.9
96.08958	2.4
97.02888	16.4
97.06504	6.3
97.10165	2.5
99.00821	4.1
99.04443	15.2
99.08078	4.4
101.02374	4.8
103.03938	4.2
103.05463	2.7
105.03384	37.9
105.07021	15.4
107.04950	5.4
107.08579	21.6
109.02862	7.2
109.06487	9.4
109.10137	34.8
110.07134	2.0
111.04441	2.2
111.08069	5.8
113.02358	9.9
113.09623	2.0
114.09131	1.7
115.03939	2.6
115.05437	3.6
117.03386	2.8
117.06886	1.8
119.04929	4.7
119.08563	38.0
121.06502	3.4
121.10138	16.2
122.02418	5.8
123.04434	8.8
123.08064	38.9
123.11688	9.9
125.09631	7.2
127.03893	14.9
129.10228	18.4
130.08669	2.2
131.03403	5.8
131.04933	3.9
131.08615	2.4
133.06473	3.1
133.10106	38.6
135.04445	3.4
135.08061	3.8
135.11681	24.7
137.05971	17.7
137.09605	38.0
137.13240	2.7
140.07043	2.3
141.01790	13.1
141.09126	4.1
145.02856	5.9
145.04970	8.3
145.06461	3.9
145.10139	2.4
147.04353	3.7
147.08041	2.8
147.11647	3.3
149.05981	6.0
149.09662	1.7
149.13280	2.5
151.03882	4.8
151.11148	4.4
153.01794	3.2
153.05475	2.0
155.10652	40.5
155.11807	3.4
155.87605	1.7
157.13379	2.8
159.02869	4.7
161.05984	4.9
162.06746	1.9
163.03917	14.7
163.07564	5.3
165.07008	2.8
165.09102	4.2
167.07060	7.5
169.05048	1.8
171.07977	3.1
173.05936	5.5
175.07521	3.8
175.11417	2.0
175.14804	58.2
176.15175	2.8
177.05482	9.4
177.16376	10.5
179.07014	20.0
179.08446	2.7
181.06451	3.5
189.12442	3.1
191.07002	2.5
193.06648	1.8
193.15858	79.5
194.22934	1.7
195.06462	3.7
195.08095	2.4
195.17471	2.5
197.08035	5.8
197.11697	20.5
201.03610	3.1
201.05379	20.8
203.05254	3.3
211.11046	2.0
211.13213	2.2
211.16968	7.0
212.12743	1.7
215.05374	1.9
217.08669	2.2
219.06438	3.5
221.05946	2.0
222.06721	2.2
225.09175	2.0
235.07494	3.0
237.09264	2.2
239.13023	1.9
251.07201	2.5
253.08385	4.0
260.19397	1.8
265.08627	2.7
269.08173	4.7
293.08124	3.9
299.14926	4.9
307.09561	2.2
311.09473	2.0
313.10751	3.6
325.10428	8.9
329.10202	4.4
341.10187	1.9
343.11865	2.6
355.11865	5.5
373.14108	9.2
373.18375	67.0
373.28217	5.2
374.15512	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	373.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32698	4.5
53.03920	4.0
55.01854	6.1
55.05511	21.6
56.05025	21.5
57.07050	5.9
58.99580	24.0
60.04513	5.5
61.01132	9.6
65.03944	4.2
67.05495	32.1
69.03431	5.4
69.07053	28.5
70.06583	4.4
71.05001	5.4
71.79728	6.2
73.01116	4.9
75.02686	4.7
75.05273	3.9
76.02284	3.8
76.03989	4.9
78.61523	3.7
79.05481	41.3
80.04993	12.1
81.07045	62.7
82.06577	6.7
83.08599	9.9
84.04493	11.0
85.01118	15.5
85.02884	4.1
86.00642	38.1
86.99031	9.8
87.02689	11.5
88.02201	9.5
88.03979	46.5
91.05461	27.4
93.07033	62.8
94.06565	24.7
95.04956	11.6
95.07333	20.5
95.08601	58.1
96.08134	11.4
97.01102	10.2
97.03998	4.5
97.06506	7.0
97.10178	4.1
98.00640	3.5
98.09669	6.2
99.01403	4.3
100.02206	7.5
102.05524	4.1
105.07024	41.5
106.06574	5.9
107.04939	17.3
107.08575	73.3
108.08134	23.0
108.08784	5.4
109.02884	4.0
109.06503	15.8
109.10149	35.2
110.09664	18.7
111.02647	36.5
111.08075	5.8
112.02172	13.1
112.03960	6.5
112.11266	12.9
113.04185	18.4
114.44336	3.8
115.05814	7.0
116.01656	39.7
117.07007	4.7
119.08566	46.6
120.08091	9.5
121.06552	4.8
121.08843	14.4
121.10133	38.0
122.09641	24.2
123.08059	10.9
123.11705	15.8
125.04199	18.0
127.05833	9.4
128.05304	35.9
129.07130	4.0
130.05020	11.3
130.06825	7.8
131.08549	14.3
133.10120	26.0
135.08029	13.4
135.11685	28.3
136.11185	15.5
137.04196	11.5
137.05948	11.1
137.13235	6.9
138.09035	4.5
139.05739	17.7
143.02744	7.9
143.08498	7.0
144.01082	5.9
144.08386	8.3
145.06047	44.7
145.10062	16.3
147.11696	18.0
149.09642	4.2
149.13220	24.0
150.12704	5.6
151.03850	4.3
151.11185	7.6
154.06821	96.7
155.05203	9.8
156.08400	11.2
156.10127	4.2
157.10114	8.1
159.11691	15.4
161.09651	6.6
161.13229	17.0
162.02203	12.2
163.14828	8.6
163.31033	4.1
165.09128	8.3
165.15146	5.8
166.15897	17.0
171.07687	7.2
171.11668	7.2
173.13225	12.6
175.11220	9.4
175.14833	9.3
177.12727	13.6
177.16336	5.7
181.04909	5.6
181.10468	17.5
182.06322	15.6
183.11777	5.3
185.13220	7.9
187.14862	10.9
189.03235	10.9
189.16385	11.9
189.79135	3.9
191.14194	6.3
195.12007	11.8
199.14755	5.1
201.16281	7.1
203.14302	5.8
203.17911	7.9
208.16867	5.0
211.08978	7.3
211.10814	6.0
215.14427	4.1
223.85112	3.9
224.14586	20.5
225.12689	4.8
240.14198	5.0
252.14134	23.9
257.09518	83.6
258.10056	6.6
259.11105	16.8
285.09024	61.8
305.40329	4.2
313.25284	5.8
327.17264	70.5
328.17767	5.1
331.26312	14.6
355.16766	64.1
355.26260	24.4
373.18109	14.0
373.27295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79198	2.2
53.03937	4.6
55.01849	5.4
55.05495	18.5
56.05035	15.1
57.03436	5.1
57.07069	5.0
58.99574	25.6
60.04514	7.5
61.01136	12.0
66.27097	2.5
67.05496	29.1
68.05016	4.5
69.03452	2.3
69.07058	33.5
70.02905	3.0
73.01112	7.0
74.00641	3.2
74.02434	3.3
75.99030	2.8
76.02203	4.4
76.03997	6.3
79.05480	37.9
80.04996	12.8
81.07047	48.9
82.06556	8.8
83.04963	3.5
83.08605	6.8
84.04489	11.3
85.01114	15.9
85.04001	6.7
86.00639	38.0
86.99054	9.9
87.02676	14.9
88.02200	11.5
88.03498	5.4
88.03984	53.9
91.05454	20.9
93.07032	51.4
94.06557	28.4
95.04956	8.9
95.07339	23.5
95.08587	33.2
96.08123	11.5
97.01096	13.1
97.04017	5.4
97.06543	3.3
97.07674	2.9
98.00627	3.4
98.09686	7.1
99.01392	7.4
99.02659	5.9
99.05563	8.3
100.02188	9.8
100.03445	3.1
101.40377	2.8
103.05791	3.3
105.07014	25.8
106.06524	4.4
107.04946	45.1
107.07285	3.6
107.08578	49.1
108.08105	26.8
109.06485	11.8
109.08920	3.0
109.10147	14.7
110.09649	16.3
111.02667	33.1
111.08043	3.4
112.02182	9.5
112.03955	8.4
112.11215	9.4
113.03513	4.1
113.04198	17.3
114.03767	4.3
115.05762	9.5
116.01657	40.6
119.04977	3.4
119.08569	25.4
120.08082	10.2
121.08858	15.0
121.10110	21.1
122.09648	35.7
123.08019	8.0
123.11726	4.9
124.11204	3.8
125.02928	4.4
125.03289	3.6
125.04201	33.6
125.79546	2.5
127.05769	12.0
128.05275	32.8
130.05054	14.0
130.06870	6.6
131.04521	4.4
131.08560	10.0
133.10097	17.8
134.09621	3.5
135.11668	13.1
136.11162	17.7
137.04198	7.7
137.05971	5.4
137.13226	3.1
138.09100	3.7
139.05756	22.8
142.06834	4.2
143.02727	15.0
143.04498	7.5
144.01118	10.3
144.08398	7.9
145.06050	54.9
145.10112	8.1
147.11688	13.0
149.13211	20.4
150.12747	8.2
151.03896	6.0
154.06827	100.0
155.05232	11.2
155.07214	5.5
156.08412	22.4
156.10294	3.2
159.11691	8.3
161.13254	8.8
162.02161	13.0
163.14758	5.8
165.12692	2.9
165.15114	9.8
166.06842	3.9
166.15901	32.2
171.07645	10.1
172.07933	2.6
173.13260	4.8
175.14763	5.5
177.03265	9.5
177.12753	5.0
179.14299	3.2
181.10428	27.2
182.06358	4.1
184.07822	3.9
185.13194	3.2
187.14928	3.2
188.07089	3.5
189.03297	15.0
189.16327	3.9
195.11987	16.1
203.18004	4.5
208.16949	3.5
211.08920	3.8
211.10774	8.4
213.12270	6.3
219.78989	2.8
224.14609	30.8
224.16515	4.7
225.12706	3.7
240.14081	3.5
252.14130	22.0
257.09528	77.2
258.10156	6.7
259.11060	15.3
275.10568	10.9
285.08990	63.7
309.17850	4.1
315.23077	3.4
321.17654	3.3
327.17297	87.5
328.17786	6.0
355.16809	58.8
355.26306	6.4
373.13419	3.7
373.17569	14.9
373.27344	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	373.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00333	0.9
53.03942	4.7
55.01871	5.3
55.05494	3.5
55.70839	0.9
57.03430	14.0
61.02913	2.1
65.03939	1.8
67.05498	16.1
68.99767	1.1
69.03417	6.3
69.07063	1.9
70.06577	1.9
70.65741	1.0
71.01349	14.0
71.04987	1.6
71.24749	1.3
71.25066	1.7
72.08131	1.8
73.02905	19.7
75.04462	4.0
79.05482	22.4
81.03403	5.0
81.07047	100.0
82.07378	2.4
83.01331	2.8
83.04974	6.2
84.08138	9.5
85.02380	2.4
85.02891	37.9
86.09696	4.3
89.03897	1.2
91.05461	6.6
93.07034	6.1
95.01321	10.9
95.04958	9.0
95.08595	59.7
96.08894	1.5
97.02876	9.2
99.00803	4.7
99.04436	3.3
101.02376	4.5
103.03889	7.3
103.05482	1.1
105.03381	35.4
105.07040	5.2
105.95370	1.0
106.03690	1.3
107.04951	2.7
107.08581	3.0
109.06499	1.9
109.10155	2.7
111.04447	1.3
113.02359	14.2
115.05405	1.5
117.03349	2.8
117.05502	1.3
117.07007	2.0
119.04961	2.2
119.08563	5.0
121.06496	3.2
123.00791	1.3
123.04424	4.5
123.08054	54.8
125.09667	1.4
127.03918	1.4
129.10252	6.6
131.03389	10.6
131.08539	2.1
133.06467	1.6
133.10103	3.8
135.04407	2.8
135.08037	3.7
135.11650	1.5
137.05948	6.5
137.09618	4.3
141.01814	15.8
141.09094	8.9
143.08604	1.7
145.02829	4.3
145.04953	1.8
145.06470	1.7
147.04378	1.9
147.08044	3.3
149.05952	2.3
149.09610	2.4
151.07515	1.0
155.10684	1.4
159.02853	5.2
159.06520	1.3
161.06006	2.7
161.09637	1.1
163.03876	16.8
163.07492	2.0
165.06927	1.5
165.09094	3.5
167.07039	2.1
169.04944	2.4
171.08099	1.1
173.05937	1.8
173.09537	1.2
175.03911	1.1
175.07513	2.8
175.14827	3.0
177.03984	1.2
177.05367	4.9
179.07011	12.7
181.06508	1.3
187.05992	1.8
187.14418	2.6
189.09096	1.5
193.06546	1.5
193.08611	1.5
193.15775	4.6
195.06285	1.2
195.08287	1.2
195.10097	1.6
197.04448	1.9
197.08067	3.8
197.11703	31.0
198.12044	1.4
199.07462	2.1
201.05447	6.9
203.07088	1.0
208.24001	1.2
215.05486	3.8
215.12700	2.8
215.77809	1.1
219.06419	1.9
221.06041	1.1
225.09126	1.4
227.07030	1.3
233.06587	1.1
239.12878	1.8
245.08075	1.2
253.08571	3.5
260.24884	1.0
260.83096	1.0
263.09244	1.2
265.08359	1.2
267.09970	1.2
274.60056	1.0
281.10538	1.4
285.11127	1.7
297.11218	1.0
299.12714	1.4
313.10617	2.5
325.10757	3.9
343.12173	1.0
355.11774	3.4
355.13718	3.7
373.14563	11.5
373.18695	4.3
373.27994	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	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19450	1.4
55.01854	2.0
55.05497	1.6
56.05017	1.6
57.03439	2.0
58.06578	1.2
60.18183	1.1
61.98696	1.2
67.05499	2.9
68.71758	1.1
69.03417	2.1
69.07046	5.9
69.56037	12.4
70.06575	5.8
71.04974	1.2
72.08157	2.8
79.05480	3.6
81.03393	4.8
81.07036	5.4
83.04967	2.6
83.06081	5.2
83.08609	1.4
84.04494	9.3
84.08134	2.8
85.02885	5.5
86.09693	57.9
89.03912	5.7
91.05453	12.3
93.07009	3.5
95.04956	2.4
95.08582	4.9
97.02874	2.5
97.06529	2.2
99.04474	1.6
99.08054	4.3
101.07169	1.6
103.03939	1.4
103.05429	3.5
105.03381	4.3
105.07007	7.3
107.04929	4.7
107.08583	3.6
109.02858	3.4
109.06486	1.8
109.10110	1.5
111.04427	2.1
114.09177	1.5
115.05450	5.0
116.64661	1.2
117.03364	16.2
117.06973	3.1
119.04927	10.9
119.08565	14.1
120.08077	2.0
121.02856	2.5
121.06509	3.2
121.10158	2.0
122.03651	3.0
123.04426	1.7
123.11688	2.2
124.05220	1.4
129.06584	3.0
130.04117	1.9
131.04907	5.1
131.11760	4.8
132.10204	7.4
133.02820	2.3
133.06445	2.4
133.10112	20.2
134.03632	2.5
135.04369	2.8
135.11670	6.1
137.05965	43.5
138.06367	1.6
139.03922	2.7
143.04875	3.4
143.11792	1.4
145.02834	25.9
145.06487	8.1
146.05963	1.5
147.04358	9.0
147.11633	2.4
149.05978	8.9
150.06723	5.6
151.03885	3.2
151.07507	3.6
157.13353	3.0
158.03615	8.4
159.04347	3.4
160.05255	2.5
161.05969	6.7
162.06755	3.8
163.03914	3.7
163.07507	2.7
165.07065	1.2
167.06999	5.5
171.61804	1.3
172.51244	1.3
173.05952	19.7
174.06671	2.6
175.03915	6.5
175.07550	7.0
175.14813	23.6
177.05463	39.1
177.06970	1.8
179.07008	4.3
179.08501	1.3
180.07823	3.0
183.07884	1.5
185.12860	2.9
186.03130	5.7
187.07455	2.5
189.05435	3.8
189.06953	1.6
189.12332	4.0
191.07056	3.0
193.12184	2.9
193.15863	5.5
194.07303	1.9
196.14522	2.9
197.12900	3.9
201.05443	100.0
202.05815	5.1
203.07042	3.3
205.06473	6.3
206.07153	2.2
207.06372	2.7
211.13214	1.7
211.17004	2.6
214.15408	2.3
217.06577	2.0
219.06502	16.6
221.05983	2.6
222.06764	4.7
224.14044	1.4
225.12335	2.7
231.06487	3.1
233.06012	7.2
234.06778	5.1
235.07515	2.5
237.05473	1.4
237.09048	5.4
239.06949	2.4
242.14941	13.7
247.07584	1.9
249.05414	3.7
249.09279	2.0
250.06181	5.8
251.06961	2.8
253.08577	4.1
255.10329	1.4
260.16071	3.0
262.06226	3.3
263.06952	1.4
264.07788	2.5
265.08563	13.5
266.09125	2.8
273.05579	1.5
277.08606	2.8
278.05582	3.6
278.08850	1.3
279.06619	2.5
281.08118	2.2
282.08679	1.9
283.09644	1.8
290.05664	3.4
292.07242	4.6
293.08041	13.3
294.08762	1.5
295.09570	2.0
297.11169	4.4
298.08597	1.8
301.14197	1.4
305.08017	4.1
307.09589	13.7
309.11099	1.4
310.08228	2.6
313.10706	7.3
323.09128	3.9
325.10635	38.3
326.11029	3.3
337.10931	2.7
341.10458	1.7
343.11865	5.0
355.11774	10.9
355.23187	2.8
373.14233	11.8
373.18170	10.1
373.24146	2.6
374.51569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1126
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03936	3.4
55.01875	2.0
55.05505	2.3
57.02087	1.1
57.03428	6.6
57.80125	1.0
58.34867	1.1
67.05506	7.0
67.07195	1.1
68.65873	1.1
69.03416	3.5
70.06577	3.7
70.46762	3.9
71.01345	4.5
72.08155	1.8
73.02915	6.9
75.04470	1.9
78.25423	1.1
79.05482	13.5
81.03417	2.7
81.07042	31.9
83.04950	1.7
84.04489	1.6
84.08134	17.2
85.02900	16.6
85.06512	1.3
86.09693	4.8
89.03909	3.5
91.05485	4.0
93.07040	2.9
95.01316	4.4
95.04956	8.9
95.08598	20.4
97.02884	5.2
99.00818	2.0
99.04441	1.3
101.02362	2.4
103.03904	2.4
105.03378	100.0
105.07021	2.9
106.03722	2.0
107.04948	4.1
111.04440	1.7
111.40287	1.1
113.02363	3.6
115.05444	1.7
117.03353	5.4
118.90254	1.1
119.08538	2.2
121.02900	1.1
121.06496	2.4
123.04419	9.0
123.08063	16.3
123.08892	2.1
129.10214	13.1
130.08640	1.6
131.03404	3.0
135.04413	9.7
135.08066	2.2
137.05948	8.8
141.01811	8.4
141.09106	2.8
145.02843	10.6
145.06415	1.5
146.06065	1.2
147.04419	3.5
147.07988	1.3
149.05943	3.3
149.29715	1.2
151.07529	2.0
153.07079	1.5
158.14453	1.2
159.02873	2.1
161.05969	6.3
163.03888	55.1
163.07536	3.2
164.04218	2.2
165.06976	1.5
165.09062	1.3
167.07018	2.1
169.04866	1.4
170.11777	2.1
173.05994	1.5
173.09583	1.4
175.07538	3.6
177.05428	10.2
177.06575	1.0
179.07014	50.0
180.07455	1.4
181.06519	3.2
187.14455	6.3
193.06442	2.8
195.06551	5.2
195.10037	1.5
197.08022	13.2
197.09799	1.3
197.11665	8.1
201.05455	6.4
205.08621	1.7
207.06404	1.8
209.05916	1.4
210.06789	1.4
211.10973	1.4
219.08133	1.5
225.09036	4.4
231.06529	1.1
233.06065	1.4
234.06818	1.1
236.08295	1.7
241.08536	2.2
247.07544	1.4
253.08408	6.5
277.08481	1.5
279.08902	2.2
281.07932	3.2
283.09851	1.3
285.11212	2.9
293.08051	1.8
299.12717	2.6
307.09576	1.4
307.85016	1.3
311.12738	1.9
313.10602	6.4
323.09036	1.7
325.10590	3.4
343.11792	3.0
355.11584	10.2
355.18753	1.3
373.12939	8.3
373.18359	10.1
373.28033	5.8
374.12253	1.6
374.20743	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	373.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05479	0.5
57.03426	0.5
58.06579	0.8
61.02914	0.6
63.02354	0.4
63.70245	0.4
67.05471	0.6
69.03424	2.4
69.07041	0.6
69.82950	2.9
70.06580	4.0
71.04980	0.6
72.08159	2.1
73.02908	0.9
79.05489	2.6
81.03408	2.2
81.07034	2.2
82.06583	0.6
84.04505	2.4
84.08121	3.0
85.02897	3.0
86.09693	9.6
88.86695	0.4
89.03903	7.5
91.05444	1.5
93.06998	0.5
95.04905	0.8
95.08568	0.9
97.02865	1.7
99.04469	0.6
100.11196	0.6
103.05458	0.9
105.07012	1.1
106.02910	2.6
107.04950	4.5
109.02863	2.1
109.06509	0.6
114.09171	1.0
114.10278	0.4
115.05459	0.8
116.07068	1.9
117.03367	8.1
117.06979	0.9
119.04916	0.7
123.04397	1.3
123.08003	0.6
124.03942	5.0
127.03922	0.9
129.10196	0.9
130.04971	2.3
133.02885	0.4
133.10109	0.9
135.04398	18.4
135.08025	0.5
136.03885	1.3
136.04785	1.0
136.07574	0.5
137.05940	2.6
143.04897	0.5
145.02814	12.4
145.06474	0.5
147.04390	1.9
147.07602	3.6
149.05972	0.6
151.03871	0.5
151.07530	0.6
153.05276	0.6
154.05029	0.7
155.07097	0.5
161.05945	1.2
163.03883	100.0
163.07567	1.8
164.04237	3.6
165.05492	0.6
167.06975	2.9
173.05885	0.8
173.09393	0.8
173.12859	0.4
175.07430	0.7
177.05450	4.3
178.08943	0.5
181.04886	1.2
185.09172	0.6
193.04819	0.8
193.06453	0.5
195.06480	1.5
195.10094	0.9
198.07454	0.5
199.18069	1.2
201.05463	2.2
202.37195	0.4
203.06958	0.8
211.05927	1.5
219.06412	0.7
221.05965	0.7
223.07462	0.5
225.09135	0.8
227.17393	0.6
232.06293	0.6
250.07098	1.0
251.09077	0.4
253.08630	1.1
265.08688	0.6
268.08115	3.3
276.10587	0.9
282.08594	0.5
286.01102	0.5
299.13034	0.6
313.10544	1.2
325.10574	1.3
341.10687	0.5
355.11807	1.5
355.19406	1.0
358.06479	0.5
371.80084	0.4
373.13596	1.2
373.20197	1.8
374.15756	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	373.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01875	2.0
55.05505	2.3
57.02087	1.1
57.03428	6.6
57.80125	1.0
58.34867	1.1
67.05506	7.0
67.07195	1.1
68.65873	1.1
69.03416	3.5
70.06577	3.7
70.46762	3.9
71.01345	4.5
72.08155	1.8
73.02915	6.9
75.04470	1.9
78.25423	1.1
79.05482	13.5
81.03417	2.7
81.07042	31.9
83.04950	1.7
84.04489	1.6
84.08134	17.2
85.02900	16.6
85.06512	1.3
86.09693	4.8
89.03909	3.5
91.05485	4.0
93.07040	2.9
95.01316	4.4
95.04956	8.9
95.08598	20.4
97.02884	5.2
99.00818	2.0
99.04441	1.3
101.02362	2.4
103.03904	2.4
105.03378	100.0
105.07021	2.9
106.03722	2.0
107.04948	4.1
111.04440	1.7
111.40287	1.1
113.02363	3.6
115.05444	1.7
117.03353	5.4
118.90254	1.1
119.08538	2.2
121.02900	1.1
121.06496	2.4
123.04419	9.0
123.08063	16.3
123.08892	2.1
129.10214	13.1
130.08640	1.6
131.03404	3.0
135.04413	9.7
135.08066	2.2
137.05948	8.8
141.01811	8.4
141.09106	2.8
145.02843	10.6
145.06415	1.5
146.06065	1.2
147.04419	3.5
147.07988	1.3
149.05943	3.3
149.29715	1.2
151.07529	2.0
153.07079	1.5
158.14453	1.2
159.02873	2.1
161.05969	6.3
163.03888	55.1
163.07536	3.2
164.04218	2.2
165.06976	1.5
165.09062	1.3
167.07018	2.1
169.04866	1.4
170.11777	2.1
173.05994	1.5
173.09583	1.4
175.07538	3.6
177.05428	10.2
177.06575	1.0
179.07014	50.0
180.07455	1.4
181.06519	3.2
187.14455	6.3
193.06442	2.8
195.06551	5.2
195.10037	1.5
197.08022	13.2
197.09799	1.3
197.11665	8.1
201.05455	6.4
205.08621	1.7
207.06404	1.8
209.05916	1.4
210.06789	1.4
211.10973	1.4
219.08133	1.5
225.09036	4.4
231.06529	1.1
233.06065	1.4
234.06818	1.1
236.08295	1.7
241.08536	2.2
247.07544	1.4
253.08408	6.5
277.08481	1.5
279.08902	2.2
281.07932	3.2
283.09851	1.3
285.11212	2.9
293.08051	1.8
299.12717	2.6
307.09576	1.4
307.85016	1.3
311.12738	1.9
313.10602	6.4
323.09036	1.7
325.10590	3.4
343.11792	3.0
355.11584	10.2
355.18753	1.3
373.12939	8.3
373.18359	10.1
373.28033	5.8
374.12253	1.6
374.20743	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	373.1124
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.02361	0.5
53.03933	2.9
55.01856	0.6
55.05508	0.6
57.03418	1.8
57.35353	0.4
67.05489	0.5
69.03413	0.5
69.07059	1.0
70.06563	0.9
71.01337	0.5
71.37526	0.4
71.40141	0.6
72.08156	0.5
73.02896	1.0
75.83380	0.4
77.03902	1.0
79.05484	2.8
81.03395	1.1
81.07063	0.6
83.04945	0.8
84.08119	0.7
85.02886	4.3
86.09690	11.9
91.05462	1.2
93.07035	0.8
95.01305	3.9
95.04949	6.5
95.08588	0.9
97.02867	0.7
97.06498	0.5
99.08065	0.5
101.07138	1.2
103.05445	0.5
105.03374	100.0
105.07023	1.0
106.03660	2.2
107.04916	2.6
109.02911	0.6
109.10159	0.9
113.02335	1.3
115.05415	0.5
117.03386	0.4
118.06528	0.5
119.04935	0.9
121.06535	0.4
121.10126	0.6
122.03628	0.4
123.04414	4.5
129.06590	1.1
131.03346	0.6
131.04881	0.6
131.90283	0.4
132.05663	0.5
132.10179	2.6
133.10130	0.8
135.04361	0.6
135.08018	0.6
137.05946	3.9
137.09636	0.8
141.01807	5.4
143.11798	1.1
145.02815	2.4
145.06490	1.1
146.05960	0.7
147.04385	1.4
149.05995	0.8
150.06769	0.5
151.03867	0.8
158.03592	0.5
159.02869	1.3
161.05942	1.0
163.07500	1.9
167.07024	2.4
171.11270	3.2
173.05986	1.4
175.03897	0.8
175.14720	0.5
177.05437	5.7
179.07004	26.5
180.07434	0.5
181.08455	0.6
186.03056	0.6
187.07613	0.4
188.07092	1.0
193.15961	1.2
195.10168	1.0
197.08060	14.0
197.12901	0.5
201.05402	8.0
203.13892	2.1
205.06538	0.7
205.08495	0.6
205.74681	0.4
207.06433	0.8
211.13194	0.4
211.16890	0.9
219.06366	1.0
233.06087	0.7
242.14906	2.3
250.06339	0.5
251.06793	0.4
260.16119	1.1
265.08661	1.3
265.90576	0.5
293.08115	0.8
297.11200	0.4
307.09613	0.6
313.11118	0.5
325.10712	3.0
343.11740	0.5
355.11697	1.0
373.13989	0.7
373.18210	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	371.2575
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
49.99942	0.4
53.03899	0.5
55.01875	0.7
55.05501	4.1
57.03412	0.9
57.07067	1.1
65.03935	0.6
67.05492	15.9
67.37610	0.4
69.03429	0.7
69.07067	2.6
71.75248	0.9
79.05479	4.0
81.03407	0.8
81.07040	12.2
82.07368	0.5
83.04966	1.1
83.08600	2.7
88.07639	0.5
89.17113	0.4
91.05462	6.6
93.07034	9.8
93.07638	0.6
95.04956	3.8
95.08588	13.4
96.08887	0.5
97.06497	3.7
97.10139	0.6
101.01822	0.5
105.07011	8.5
106.07359	0.5
107.04940	0.7
107.07951	0.3
107.08573	13.2
109.06506	10.1
109.10140	22.3
109.93464	0.4
110.06836	0.7
110.10485	0.5
111.08067	20.6
113.09661	0.5
117.06982	2.3
119.08561	17.3
120.08880	0.5
121.06477	0.9
121.10117	7.1
122.07256	1.2
123.08047	80.3
123.11653	2.9
124.08395	2.6
125.09598	3.0
129.06976	1.0
131.08546	7.8
133.10106	10.3
134.10394	0.5
135.08032	7.6
135.11636	2.3
137.09593	57.6
138.09959	2.3
139.11137	2.7
143.08508	1.8
145.10100	9.9
147.08066	0.6
147.11668	4.8
149.09579	3.1
149.13246	1.5
151.11153	21.0
152.11533	0.8
155.08478	0.9
157.10164	2.2
158.10556	0.5
159.08043	0.7
159.11668	4.7
161.09654	0.7
161.13217	3.3
163.07587	0.9
163.11153	1.0
163.14847	1.4
165.09099	0.5
169.10283	0.5
171.11676	1.6
173.13243	4.1
175.11099	0.8
175.14793	13.3
175.16345	0.6
176.15060	0.7
177.12769	0.5
177.16345	4.9
178.16756	0.5
183.11668	1.5
185.13245	3.1
187.11281	0.7
187.14789	23.3
188.15216	1.4
189.16360	6.5
193.15865	1.7
197.13217	1.1
199.14755	1.7
201.16377	4.1
203.14236	0.8
203.17947	2.3
211.14873	1.0
213.16315	1.0
215.14386	0.8
215.17850	2.4
223.14804	0.7
225.16425	0.9
227.17928	0.9
229.15965	0.7
229.19414	0.6
233.15334	1.2
237.16354	1.0
241.19574	0.7
243.55626	0.4
249.18542	0.9
251.17853	0.8
253.19531	1.3
255.17583	0.5
269.19098	0.8
283.24265	0.6
297.25845	0.7
307.24084	4.9
309.25714	0.6
324.32632	0.5
325.25247	12.8
326.25714	1.6
327.26685	1.1
353.24707	1.9
371.25757	100.0
372.26080	13.0
372.34012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.82877	1.2
53.03934	3.4
55.01854	3.9
55.05489	4.8
57.03414	3.3
57.07045	2.8
58.87932	1.2
59.04982	2.1
60.05637	1.5
61.02904	5.7
65.03926	2.4
67.05496	12.4
68.05015	1.3
69.03418	15.6
69.07047	7.9
69.18015	1.1
69.73443	10.0
70.06581	48.9
71.04976	4.9
71.08611	2.5
72.08138	4.7
73.02881	2.8
73.04737	3.4
79.05468	9.4
81.03404	9.2
81.07043	9.6
83.04961	4.6
83.08599	8.6
84.04472	2.6
84.08109	5.8
85.02367	2.2
85.02892	35.1
85.06541	3.0
86.09693	7.1
86.22256	1.4
87.04453	2.0
91.05331	1.5
91.05856	19.3
92.05673	1.6
93.07027	11.7
94.06531	1.6
95.01288	1.7
95.04955	11.2
95.08575	5.8
96.04449	1.2
97.02882	13.3
97.06522	38.0
98.98460	1.5
99.04436	3.6
101.05984	4.0
105.07019	16.1
106.61172	1.2
107.04886	2.0
107.08577	19.6
108.04449	1.2
109.02862	5.7
109.06503	90.1
109.10143	45.2
110.06062	1.9
110.07021	1.9
111.04408	3.2
111.05536	1.8
111.08067	2.2
112.07587	26.9
115.05425	1.4
116.07092	2.5
117.03304	1.8
117.07005	3.2
118.04119	1.4
119.04913	1.8
119.08551	6.2
121.06458	3.9
121.10126	16.9
123.04376	3.1
123.08037	7.4
123.11691	3.6
124.03997	2.0
127.03905	10.0
129.05444	5.8
129.06981	2.6
129.10277	1.6
130.05020	2.6
130.08678	1.7
131.08566	13.3
133.06509	2.3
133.10107	52.4
135.04407	2.5
135.08046	25.8
135.11636	1.9
136.07516	2.4
137.05956	6.3
137.09647	1.8
140.07054	18.5
143.08504	2.2
145.02837	2.9
145.04955	4.3
145.10077	3.3
147.04393	5.1
147.06519	6.3
147.07925	1.6
147.11646	4.3
148.06126	1.6
149.05920	2.2
149.09583	3.5
149.13257	4.0
149.23106	1.3
151.03891	2.5
152.07066	2.7
153.05457	3.4
153.09099	7.4
157.09738	3.0
158.10889	2.9
161.05899	2.4
163.03880	6.8
163.07565	2.3
163.14806	3.9
165.05405	3.3
165.10216	4.5
167.05644	1.7
167.06995	6.5
169.09732	2.5
169.51372	1.2
170.08110	3.0
173.13251	20.9
177.05472	3.9
178.05005	1.9
185.12798	1.3
187.07494	2.2
191.14285	100.0
192.06464	1.6
192.14622	2.7
193.08516	2.2
198.09094	2.6
209.04352	1.5
209.13138	2.8
209.15331	20.7
210.07587	2.6
217.08553	3.3
236.12677	1.5
239.08105	2.1
248.99062	1.6
266.99884	1.4
268.97894	4.0
285.00946	5.4
287.16260	2.0
303.02017	2.2
339.12210	2.2
353.13837	2.3
353.20673	1.4
355.06818	6.5
356.07419	1.5
371.10379	2.3
371.21204	4.9
372.10513	4.0
373.08044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03932	8.8
55.01859	6.5
55.05503	32.1
57.03423	14.5
57.07059	13.3
59.04993	5.2
61.02922	6.7
67.05496	17.3
69.03427	52.3
69.07060	34.0
69.46735	2.7
70.06580	14.4
71.04975	9.4
71.08595	3.3
71.47523	5.3
71.47842	3.1
72.08112	4.5
73.02901	4.9
73.04728	4.2
78.50567	3.0
79.05482	29.4
81.03414	25.1
81.07047	78.6
83.04978	39.6
83.08611	53.1
84.08128	7.6
85.02897	81.7
85.06530	10.0
86.09704	7.3
87.04460	3.4
91.05473	12.2
93.07034	35.9
95.04955	68.5
95.08609	21.8
97.02877	43.5
97.06517	19.3
97.10162	5.8
98.03232	3.0
99.04450	29.8
103.03943	6.8
105.07001	16.4
107.04961	5.9
107.08582	53.5
109.02869	45.8
109.05814	5.6
109.06505	64.8
109.10146	53.6
111.04427	4.3
111.08072	27.0
115.03907	4.6
116.07078	3.7
117.06990	4.2
119.08580	14.1
121.06515	10.5
121.10136	48.7
123.04369	4.4
123.08058	9.8
123.11691	30.4
125.09615	12.8
125.13262	10.9
127.03892	51.0
127.07558	5.4
129.05455	6.7
131.08553	15.1
133.06497	3.0
133.10123	34.3
134.10365	4.0
135.08008	18.2
135.11696	12.3
137.05971	14.3
137.09648	6.4
139.03889	4.5
139.07538	3.3
139.11176	6.9
145.04947	11.1
145.10088	6.0
147.04414	3.7
147.11690	8.4
149.05995	7.4
149.09727	4.8
149.13232	44.6
151.07515	4.6
151.11189	13.7
153.09106	34.0
159.07886	3.5
161.05966	3.8
163.03915	4.1
163.11121	3.8
163.14838	9.3
167.07031	18.8
167.14307	67.4
169.12233	7.0
171.10188	9.4
173.13240	23.3
174.06705	3.5
175.11121	3.5
175.14832	4.0
175.35751	2.8
177.05403	11.2
179.14238	3.5
181.12282	5.6
187.06007	12.1
187.07544	4.6
191.14293	66.3
192.14627	3.1
193.08525	4.4
193.15862	3.2
205.07039	25.2
209.15353	100.0
210.15738	4.1
217.08557	9.5
227.16443	6.2
259.78323	3.4
277.08817	4.1
313.16516	3.5
335.18515	5.6
339.12543	3.4
353.13644	4.5
353.19547	13.8
355.07224	4.0
371.16150	6.4
371.20657	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	371.2057
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.32528	1.9
52.16056	1.5
53.03934	3.9
53.39669	1.6
55.01852	4.8
55.05495	8.7
57.03426	17.8
57.07052	4.0
61.02905	7.1
62.06068	1.7
67.05482	16.3
69.03419	20.0
69.07062	13.0
71.04976	7.7
71.46059	3.8
73.02901	3.4
74.00648	4.1
79.05486	18.3
80.05795	1.9
81.03400	6.5
81.07041	33.5
83.04955	5.6
83.08576	4.2
84.08160	2.0
85.02380	2.5
85.02891	51.9
85.06516	4.8
85.42220	1.7
86.00639	1.8
87.04457	4.2
91.03927	3.4
91.05441	16.3
91.46843	2.1
93.07018	16.8
95.04948	16.9
95.08595	20.4
97.02874	16.1
97.06519	5.0
97.10138	1.9
98.14076	1.6
99.04457	3.6
99.08070	3.2
101.06008	3.9
103.05443	3.4
105.07010	25.4
106.07335	1.9
107.04943	6.8
107.08566	25.4
109.02858	6.1
109.06504	41.6
109.10135	16.9
111.04426	4.1
111.08061	3.5
112.62627	1.5
113.04202	3.0
117.06997	5.2
119.08549	20.0
121.06472	5.9
121.10109	15.8
122.06064	1.6
122.07253	3.1
123.04424	2.6
123.08042	14.5
123.11705	3.6
125.05984	2.2
125.09638	3.2
127.02113	2.1
127.03900	14.6
127.07569	2.6
128.06194	1.7
129.05475	3.1
129.06984	6.2
130.06837	7.6
130.07722	1.7
131.08540	21.4
133.06430	3.9
133.10107	75.2
135.08018	30.8
135.11691	6.8
137.05966	6.2
137.09598	5.9
143.08540	6.6
145.04942	21.5
145.06151	2.4
145.08568	3.7
145.10095	10.2
147.04309	2.4
147.06555	3.5
147.07980	2.5
147.11674	12.1
149.05995	2.7
149.09605	3.9
149.13219	6.7
151.03914	3.4
151.07564	2.4
153.09142	2.1
153.71799	1.8
155.08577	2.1
157.06522	2.5
157.10100	2.0
158.10895	4.7
159.08020	3.9
159.11685	4.5
161.05949	3.3
161.09644	3.4
161.13261	3.2
163.06004	2.9
163.07469	2.8
163.11044	2.1
163.14809	3.8
165.05481	1.8
165.12733	33.1
167.07024	32.2
169.10045	2.1
171.11670	3.1
172.05153	2.0
173.09491	2.1
173.13225	32.9
175.07472	8.0
175.11115	3.4
175.14838	3.4
176.11597	6.1
177.05492	4.4
181.04944	3.4
187.07579	10.8
189.09087	3.1
191.07024	2.9
191.14273	100.0
192.14622	4.3
193.15834	4.8
199.07532	2.6
199.14816	2.5
203.08479	2.3
203.17926	4.6
205.10425	2.2
209.15344	25.7
217.08546	5.8
218.07159	2.6
219.07999	2.9
221.09557	2.0
233.09651	4.0
236.08038	2.4
239.20027	7.9
246.99174	1.8
247.07462	2.2
249.09106	4.8
250.10211	2.1
250.12674	2.1
251.11697	2.5
259.11053	3.6
261.09152	3.9
263.07037	2.1
265.13327	3.4
268.13626	56.8
269.13766	2.4
277.08533	4.7
278.09265	2.1
279.10049	2.2
281.11581	3.3
285.07339	2.9
289.08527	2.3
293.08160	2.3
293.11719	3.0
300.09644	2.0
309.11133	7.5
311.13416	2.3
321.11115	5.7
325.15701	2.1
326.11557	3.3
327.18155	3.4
339.12225	10.3
341.13840	7.7
353.14627	7.0
353.28394	2.2
356.17734	5.1
371.15851	48.6
371.20639	35.9
371.25415	3.4
371.29529	3.6
372.16162	6.0
372.20847	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	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03934	7.2
55.05501	18.0
57.03428	9.0
57.07067	13.2
59.23937	2.5
61.02925	4.5
67.05505	11.5
69.03422	20.8
69.07049	24.4
70.00476	11.0
70.00901	7.8
71.04976	5.3
79.05460	15.7
79.31982	2.6
81.03414	12.3
81.07045	72.9
83.04974	18.8
83.08604	55.9
85.02896	28.5
85.06529	4.8
91.05479	11.8
93.07040	25.5
95.04972	13.9
95.08598	15.3
97.02885	12.9
97.06525	10.4
97.10159	3.6
98.21451	2.9
99.04448	5.5
105.07017	24.0
107.08581	44.1
109.02837	5.1
109.06499	80.2
109.10132	53.1
111.08066	19.6
113.06017	2.9
115.52731	2.9
117.07073	4.0
119.08559	12.8
121.10123	29.1
123.08069	11.7
123.11689	24.0
125.09638	6.8
125.13271	11.6
127.03889	21.3
127.07541	5.4
129.05498	3.3
129.06961	3.6
131.08565	22.4
133.10115	100.0
134.10472	5.5
135.08060	28.3
135.11658	8.6
137.05989	5.3
139.11174	3.7
145.04979	6.1
145.10101	10.3
147.11691	12.5
149.09607	12.6
149.13234	47.8
151.11169	12.4
153.09062	14.0
158.10944	5.4
163.07526	3.4
163.14775	7.8
165.12827	3.1
167.07036	5.9
167.14297	61.9
169.12263	8.7
171.10167	7.3
173.13242	50.7
181.25220	3.2
191.14278	99.8
192.14587	5.3
209.15356	62.0
210.15698	3.2
227.16489	5.6
233.11694	3.9
284.64996	2.7
321.11154	3.2
353.19562	9.5
371.15091	6.1
371.20816	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.8
57.03426	1.2
63.37019	0.8
64.35014	0.8
67.05482	3.1
69.03416	6.1
69.07048	3.3
71.04956	2.3
71.24328	2.3
71.24712	1.1
73.02920	0.8
75.73321	0.8
79.05476	7.8
81.03383	0.9
81.07043	7.3
83.04963	2.1
83.08595	1.6
85.02902	4.9
85.06520	1.0
91.05440	6.3
93.07012	4.7
95.04958	6.3
95.08592	3.9
97.02888	1.6
99.04437	1.8
101.06009	1.1
103.05414	1.4
105.07023	5.7
107.04945	3.0
107.08577	18.5
109.02826	1.0
109.06490	10.7
109.10149	7.1
115.05441	2.0
117.07050	1.7
118.05191	0.9
119.08537	3.6
120.08061	1.3
121.06469	0.9
121.10132	13.0
122.07242	3.4
123.04346	0.9
123.08038	2.4
123.11683	1.0
125.09607	1.5
129.06961	2.5
131.08598	4.0
133.10114	100.0
134.10426	3.1
135.08031	11.9
135.11650	2.6
137.05959	5.1
137.09598	55.1
138.09911	1.5
145.04930	0.9
145.10077	2.6
147.04376	2.8
147.08037	0.9
147.11644	2.8
149.13245	12.9
151.03934	1.7
151.11169	1.7
153.09088	1.1
156.05672	1.9
158.10939	1.2
159.08072	1.1
161.13269	1.1
163.14807	3.4
165.05435	1.3
165.99734	1.0
167.07019	11.2
173.13266	5.9
175.07436	2.1
177.05525	1.1
179.14291	1.6
187.07559	2.9
191.06961	0.9
191.14284	40.1
192.14690	1.8
193.15948	1.1
202.06218	1.4
206.07184	1.3
209.15309	12.7
217.08530	5.9
218.07216	1.6
219.08025	2.6
219.10043	0.9
221.09549	1.3
233.09647	1.1
234.06679	1.3
247.07452	1.5
247.09694	1.1
249.09058	2.2
261.09079	2.1
262.10013	1.2
264.07748	1.2
265.08441	1.5
277.08499	2.0
278.09457	0.9
279.10226	1.3
281.08157	1.0
281.11642	2.2
285.07513	1.2
289.08545	1.1
290.72937	0.9
293.11581	1.7
300.09760	2.1
307.09552	1.7
309.11166	2.7
321.11130	1.8
326.11298	1.3
337.26840	1.1
338.11426	1.1
339.12338	6.8
341.13812	2.5
347.57446	1.0
353.13757	2.7
371.07544	1.2
371.15152	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01856	2.3
55.05497	8.3
57.03419	2.6
57.07072	3.8
60.76285	2.1
61.02913	2.4
67.05486	7.0
69.03425	14.2
69.07054	11.1
70.06583	5.8
70.18816	6.8
70.19232	4.6
71.04988	5.5
71.89674	2.0
72.08146	2.9
79.05484	14.0
81.03382	7.2
81.07055	12.0
83.04955	9.6
85.02900	20.4
86.09694	2.7
87.04453	2.6
91.05449	15.6
93.07037	14.6
95.04967	9.5
95.08586	11.6
97.02866	8.5
97.06508	6.5
98.20746	3.2
101.08951	2.2
103.05440	5.1
105.03366	9.2
105.07031	18.4
106.03703	5.5
107.04919	11.3
107.08575	28.8
109.02857	4.6
109.06481	11.2
109.10126	10.6
111.08047	5.3
117.07001	4.0
118.21056	2.3
119.04945	6.0
119.08556	11.9
121.06538	4.9
121.10151	20.9
123.04414	4.4
123.08035	6.2
123.11658	2.8
125.05932	2.7
127.03872	5.4
128.06203	2.8
129.05481	2.5
129.06972	6.2
130.06592	2.4
131.04924	5.0
131.08562	16.1
133.06465	5.6
133.10121	100.0
134.10442	3.1
135.08055	11.9
135.11679	3.2
137.06000	16.2
137.09613	28.8
139.11110	2.7
143.08598	3.0
145.04927	4.4
145.10088	7.2
147.04420	10.7
147.06683	2.6
147.07948	3.9
147.11659	18.4
149.05937	4.1
149.09586	6.4
149.13237	20.3
151.03851	2.8
151.07494	3.8
151.11172	9.8
153.09084	6.1
156.05710	3.6
158.10974	2.7
159.08040	5.6
161.05940	4.0
163.03841	3.3
163.07574	5.1
163.11143	2.7
163.14784	6.6
165.05388	2.5
167.07019	39.5
173.06012	3.6
173.13246	31.3
174.03203	2.8
175.07523	7.1
177.05444	7.1
179.07014	5.5
187.07529	13.4
189.09085	5.7
190.07710	2.5
191.07019	6.7
191.14305	99.1
192.14592	4.1
193.08629	3.0
207.06462	3.0
209.15340	32.2
217.08533	13.5
218.07063	2.7
234.06732	4.7
239.07021	2.5
241.08609	3.1
246.06781	3.5
261.09009	4.4
264.10980	2.7
273.92883	2.2
277.08585	7.3
278.09244	3.7
279.06256	2.6
281.11725	3.5
285.07648	4.1
289.08646	3.1
293.11673	5.5
300.09869	6.8
301.10651	2.4
309.11169	7.2
312.12329	3.4
321.11215	5.6
323.09119	2.4
339.12167	3.6
341.13718	9.1
353.13889	12.0
371.11227	3.0
371.15994	12.8
371.20731	4.9
385.42914	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	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03920	4.1
55.01849	3.2
55.05489	3.6
57.03423	7.7
57.07055	1.7
61.02654	1.1
61.02918	12.9
65.20187	0.8
67.05496	6.1
69.03418	31.4
69.06725	1.3
69.07050	14.4
70.31804	4.2
71.04965	6.3
72.80281	0.9
72.91066	1.0
73.02892	6.1
74.99599	0.7
79.05488	8.7
81.03407	15.7
81.07040	10.3
82.92909	1.1
83.01311	0.9
83.04958	3.4
83.08591	2.3
85.02892	84.1
85.06518	3.4
86.03190	1.2
86.09676	1.0
87.04453	7.8
87.25833	0.9
91.03407	0.9
91.03916	5.1
91.05433	8.0
93.07024	8.3
94.06554	0.8
94.25701	0.8
95.04956	19.2
95.08607	8.6
97.02877	30.1
97.06518	5.2
98.03204	1.0
99.04449	8.4
101.05995	1.1
103.05435	2.5
105.07030	10.3
107.04942	6.7
107.08575	11.7
108.47304	0.9
109.02858	11.5
109.06503	10.3
109.10158	4.9
111.04437	1.2
111.08061	1.3
115.03922	1.4
117.06967	1.6
119.04921	1.5
119.08559	7.5
121.06487	6.8
121.10120	7.5
122.06004	1.7
122.07250	2.6
123.04408	2.4
123.08044	20.2
123.11647	1.8
124.05113	0.9
125.06022	1.5
127.03898	21.9
127.07503	1.2
129.05449	1.9
129.06964	3.5
131.04889	2.2
131.08553	4.3
133.06441	2.4
133.10123	9.1
135.08032	31.3
135.11699	4.8
136.08383	1.3
137.05963	7.3
137.09593	2.5
139.07494	1.5
141.06921	1.1
143.08530	2.1
145.04947	36.2
145.06250	2.2
145.10074	4.7
147.04344	1.2
147.07959	1.9
147.11671	7.2
149.09586	2.6
149.13248	1.6
151.03886	2.2
151.11095	1.4
153.05353	1.2
156.05606	1.4
156.08424	1.0
159.07976	2.9
159.11623	2.9
161.05928	3.2
161.09622	2.8
163.06026	5.2
163.07309	0.9
163.11145	1.5
163.14778	1.8
165.12732	57.5
166.13081	2.8
167.07016	22.8
169.10066	0.9
171.06480	1.1
172.05254	1.5
173.09602	3.2
173.13199	1.7
175.07443	4.6
175.14781	3.9
176.11952	3.5
177.05424	2.0
177.12590	1.0
187.07556	5.6
187.11215	1.2
189.07462	1.4
189.09137	2.8
191.06949	1.6
191.14279	100.0
192.14595	5.2
193.15865	8.2
195.11160	0.9
199.07533	1.5
201.09074	1.4
202.06232	1.1
206.79941	1.2
207.06319	1.1
207.13841	2.6
209.15321	14.6
213.16434	1.0
215.08682	1.5
215.10680	2.5
217.08641	4.7
218.07188	1.6
219.07980	1.2
219.10124	2.0
221.09605	1.7
231.07932	1.9
232.08977	1.2
233.09544	1.3
233.11638	2.3
234.06776	1.6
235.07570	1.5
241.08734	1.1
247.09595	1.3
249.09035	2.6
261.09082	3.2
262.09720	1.9
269.54868	0.9
277.08514	1.5
278.09457	1.3
281.11621	1.9
285.07462	2.1
289.08365	1.1
293.11630	1.7
300.09793	1.9
301.10663	1.5
309.11215	4.4
309.16888	1.9
311.08966	1.4
321.11212	3.7
325.21631	1.1
326.11453	1.2
327.18018	2.0
339.08578	1.0
339.12314	5.6
340.13220	1.1
341.13803	3.8
353.09955	1.1
353.13733	3.5
353.24622	1.2
371.15158	8.9
371.20554	74.4
372.16190	1.9
372.20905	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72908	1.8
53.03938	4.8
54.68366	1.9
55.01863	12.2
55.05498	21.5
57.03425	5.6
57.07062	2.4
59.04991	2.8
61.02898	5.9
65.03922	3.6
67.05495	10.3
69.03084	2.8
69.03423	29.5
69.07047	5.2
69.85361	7.4
69.85773	5.3
70.06577	1.7
71.01361	2.0
71.04977	8.6
73.02895	5.3
79.05470	12.4
81.03406	11.6
81.07051	12.2
83.04972	41.3
83.08602	20.2
84.60731	1.8
85.02895	39.3
85.06511	3.7
87.02682	4.8
87.04436	4.4
91.03940	3.3
91.05456	7.9
93.07042	10.6
94.02919	9.8
95.04956	95.5
95.08572	11.8
97.02885	18.6
97.06528	7.2
98.21395	4.1
99.04432	20.4
99.08091	2.9
102.03729	2.8
103.03930	5.1
103.05443	3.3
105.07051	12.5
107.04952	16.7
107.08578	17.4
109.02864	6.2
109.06504	10.2
109.10136	10.1
111.04442	2.8
111.08061	5.8
114.09169	3.5
117.06987	4.2
119.04927	4.0
119.08575	6.0
121.06518	6.1
121.10143	13.9
122.03590	2.3
123.04395	8.3
123.08076	8.6
123.11682	5.2
125.05997	10.3
125.09624	7.4
127.03902	8.5
128.06187	3.4
129.06975	8.4
131.04921	4.4
131.08549	7.9
133.02840	2.3
133.06502	3.1
133.10110	40.7
135.08060	6.4
135.11679	3.5
137.05960	25.5
137.09592	24.1
139.11137	17.6
141.06975	4.1
145.04964	5.2
145.06456	3.4
145.10121	3.7
147.04327	4.1
147.06508	2.8
147.08006	4.2
147.11734	2.1
149.06000	4.7
149.07423	5.8
149.09567	2.4
149.13240	6.7
151.03882	6.2
151.07504	3.2
151.11169	21.2
152.04619	1.8
153.05449	2.2
153.09070	28.1
155.10597	2.4
156.05678	4.3
156.08383	2.4
157.06450	4.6
158.07236	3.4
159.08005	3.4
159.11681	2.3
161.05998	6.6
163.03957	2.2
163.07445	2.5
163.14729	2.6
165.06651	4.7
167.07018	55.9
167.14264	17.1
168.07414	2.5
169.12256	5.7
173.05975	2.5
173.13225	7.5
174.06717	5.3
175.03931	2.2
175.07504	9.8
177.05490	5.7
181.04906	5.2
181.12221	28.5
183.06622	4.2
185.08116	7.2
187.07520	21.6
188.08258	3.2
189.07552	2.8
189.09061	14.4
190.07785	3.6
191.06941	5.3
191.08582	4.2
191.14305	26.0
193.08487	2.4
199.07593	5.3
201.09091	9.1
202.07813	2.5
203.08696	3.6
204.09280	3.0
205.06528	3.7
206.07269	7.0
207.08047	4.5
209.15346	98.2
210.15666	3.9
217.06645	3.9
217.08563	9.8
218.07227	9.4
219.08092	9.9
219.10030	3.4
220.08809	2.2
221.09570	5.3
226.12576	6.0
231.08018	6.3
232.08894	3.5
233.09595	11.1
233.15413	4.0
234.06717	8.9
235.07487	11.9
236.08240	3.3
242.09610	7.0
245.06010	2.8
246.06731	6.9
247.07492	8.4
248.08264	7.4
249.09096	21.5
250.06285	3.2
250.09663	5.6
251.07004	5.2
251.10667	3.1
252.07790	3.0
253.08598	2.3
253.11742	4.6
259.07477	2.2
260.08240	5.6
261.09103	24.0
262.06128	2.7
262.09604	3.0
263.06903	10.3
263.10818	3.5
264.07751	5.5
265.08545	8.5
266.09180	4.4
275.10382	2.2
276.07709	3.9
277.08588	34.9
278.09219	15.8
279.06772	2.2
279.10013	10.0
280.07401	2.5
281.08316	2.3
281.11758	8.0
289.08621	8.0
290.09216	3.4
291.10187	8.2
292.10477	3.2
293.08038	5.9
293.11646	11.7
294.08762	4.4
295.09534	5.4
296.10208	2.6
300.09958	3.0
306.08865	3.7
307.09543	7.0
308.10303	4.0
309.07910	3.0
309.11200	22.1
310.11597	2.5
311.09402	3.4
311.12833	9.5
321.11145	22.1
322.11542	3.0
323.08914	2.4
325.10742	4.1
326.11554	4.8
327.12186	3.1
335.18542	5.2
339.12268	62.5
340.12735	6.1
341.10284	2.3
341.13614	13.0
343.15329	6.0
353.13818	15.6
353.19775	3.3
354.14569	7.0
362.71530	2.4
370.72070	2.5
371.07617	3.8
371.14868	100.0
371.20630	20.7
372.15219	14.4
382.07971	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43342	0.4
55.01852	0.6
55.05504	4.5
56.05006	0.6
57.07051	1.3
58.99558	1.8
61.01125	0.6
65.03937	0.5
67.05494	6.5
68.05019	0.8
69.03417	0.8
69.07055	4.0
71.04972	0.6
71.08610	0.6
73.01129	0.8
76.02203	2.0
76.03977	0.6
79.05479	5.1
80.04993	0.7
81.03413	0.6
81.06597	0.6
81.07042	9.0
82.06578	0.5
83.04958	1.6
83.08596	2.4
84.04488	0.9
84.08120	0.7
85.01115	2.3
85.02888	0.6
85.06509	0.7
86.00637	17.5
88.02193	2.0
91.05426	2.9
93.07026	6.2
94.06535	1.2
95.04939	1.6
95.08589	10.7
96.08133	2.2
97.01094	0.7
97.02874	1.2
97.06502	1.1
97.10165	0.9
100.02173	0.9
101.04205	0.4
101.06000	1.2
103.05451	0.6
105.07000	5.4
105.67244	0.5
107.04937	3.4
107.08568	8.5
108.08097	4.7
109.06460	0.8
109.10118	6.2
110.09668	1.3
111.04408	1.4
111.08057	0.8
112.03935	0.4
113.04214	5.8
114.03716	0.6
114.05458	0.6
115.05463	0.6
116.01682	2.3
117.06971	0.7
119.04879	0.4
119.08574	5.0
121.06488	0.8
121.10114	5.8
122.09643	3.4
123.04404	0.6
123.08018	0.6
123.09170	0.4
123.11679	2.1
125.05974	0.9
125.09575	0.9
127.07586	0.5
128.06194	0.6
129.05444	1.1
129.07021	1.1
130.04994	0.6
130.06844	6.0
130.07724	0.8
130.08571	0.5
131.04900	0.5
131.08524	1.5
133.06529	0.5
133.10098	4.4
134.09608	0.7
135.08029	1.1
135.11673	3.2
137.05965	1.4
137.13240	1.1
139.05727	1.4
139.07504	0.6
140.05244	0.7
143.02748	0.9
143.04477	1.6
143.08539	1.1
144.01083	0.7
145.10115	3.0
147.04419	0.6
147.06479	1.3
147.11624	2.8
148.11160	0.9
149.05920	0.6
149.09584	1.0
149.13254	2.7
151.14755	0.8
153.09076	0.7
155.04529	0.4
156.08391	35.9
156.10271	0.9
157.08704	1.4
157.10039	1.1
159.08035	0.8
159.11702	2.1
160.11108	0.5
161.05948	0.6
161.09549	0.6
161.13257	2.4
162.02167	0.9
163.14804	1.8
166.06868	1.1
167.07004	6.3
169.10161	0.8
171.11668	1.5
173.13248	1.5
175.07504	1.7
175.14793	0.9
176.14294	1.8
177.05461	0.5
177.16371	0.6
177.70003	0.4
178.15820	3.3
179.97076	0.5
180.08345	0.5
181.10011	0.5
181.12289	0.5
183.11765	0.4
183.70436	0.4
185.13235	0.7
187.07477	1.8
187.14813	1.1
189.03250	4.2
189.16360	1.5
195.11618	0.5
197.09195	14.1
197.13155	0.7
198.09586	0.5
199.07680	0.5
199.14821	0.5
201.16438	1.4
203.08560	0.6
203.17813	0.7
209.09140	0.6
210.13075	1.2
215.04845	3.2
215.08430	1.0
215.17880	0.8
217.08562	1.3
217.19579	0.5
223.10843	1.0
231.17412	0.5
236.14471	2.1
237.12315	1.6
238.16292	0.8
243.07959	39.2
244.08260	1.3
251.13879	0.9
261.09128	0.5
269.09518	4.9
277.08566	0.7
301.12125	17.3
302.12531	0.8
309.11234	1.1
315.23367	0.7
321.11310	0.8
339.12317	1.3
339.17294	13.9
340.17514	0.9
341.13861	1.3
353.13950	1.0
353.28479	0.9
371.19910	100.0
371.29398	6.4
372.20218	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	371.1485
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03930	3.4
55.01858	3.5
55.05502	4.5
57.03423	5.5
59.04995	4.8
65.03936	2.1
67.05496	8.0
69.03419	6.4
69.07059	4.4
69.46503	20.1
71.05002	2.4
78.04698	2.4
79.05485	13.4
81.03404	3.1
81.07054	10.2
83.08617	1.9
84.08109	2.1
85.02895	4.5
85.06536	2.7
90.23123	1.8
91.05453	13.5
93.07041	7.8
94.04178	2.7
95.04938	8.6
95.08606	6.3
103.05441	3.7
105.07007	11.2
107.04943	25.7
107.08595	6.5
109.02877	6.0
109.06499	10.7
109.10170	4.6
111.04430	2.8
111.08071	2.2
115.05441	3.8
116.06231	2.8
117.07023	3.3
119.04931	6.3
119.08578	7.8
121.06511	4.3
121.10156	7.4
122.03644	10.1
122.06036	5.7
123.04438	7.9
123.08085	2.1
124.05213	3.9
125.09581	1.9
127.03882	9.3
128.06218	5.6
129.06972	18.5
131.04936	6.5
131.08553	15.1
133.06516	4.5
133.10136	6.1
135.08047	3.7
137.05960	100.0
138.06274	3.3
141.06987	6.1
141.17639	2.1
144.05661	10.8
145.06441	6.9
145.10106	3.2
147.04410	3.1
147.06525	3.7
147.08011	1.9
147.11653	4.0
149.05936	3.9
149.09634	2.8
151.03900	9.4
151.07556	5.2
152.04715	3.3
153.05461	3.3
156.05664	25.1
157.06430	6.7
157.10086	2.0
158.07300	2.8
159.08018	23.2
160.05150	2.9
161.05984	8.2
161.09645	2.7
162.02159	2.3
163.03934	4.0
163.07555	3.0
165.05414	3.0
165.07011	1.9
165.12607	2.1
167.07014	81.9
169.06445	6.7
170.04353	2.3
172.05229	3.9
173.05966	5.4
173.13231	4.5
174.06767	6.1
175.03984	2.1
175.07506	17.4
177.05550	9.3
178.07735	5.2
179.07063	3.2
179.08534	4.5
181.04976	4.4
181.06477	3.5
184.05081	2.5
185.05984	3.2
186.06776	2.8
187.03906	2.2
187.07513	33.3
189.05501	2.1
189.07030	3.7
189.09137	7.8
190.07784	4.4
191.06943	4.1
191.08537	4.2
191.14293	7.7
193.10100	1.9
193.12186	3.2
199.07521	5.3
201.09102	3.3
202.06239	6.1
202.07854	4.6
203.06950	2.5
203.08589	12.2
204.07753	3.1
205.06525	4.9
205.08601	5.2
205.10201	3.5
206.07274	6.5
207.06398	2.6
207.08081	6.1
209.07918	2.1
209.15364	4.8
211.07564	5.7
215.06804	4.9
215.08617	7.8
217.06592	4.2
217.08566	78.4
218.07254	10.7
218.09035	4.2
219.08015	9.8
219.10194	12.0
220.08815	3.7
221.06055	2.7
221.09662	10.0
222.06801	3.3
223.07463	6.7
224.04678	3.9
224.08315	3.9
226.06239	4.8
227.07018	3.6
229.08630	4.5
231.08127	9.1
232.08736	6.3
233.06009	2.6
233.09528	16.6
234.06732	15.5
235.07460	14.4
236.08244	2.8
237.05405	3.6
237.09015	3.2
238.06206	2.3
238.09854	3.0
239.06985	24.5
240.07552	4.1
241.08614	12.6
242.05742	5.7
243.08046	3.9
246.06703	8.8
247.07457	6.9
247.09683	30.2
247.11897	2.2
248.08247	5.4
249.09038	23.8
250.09834	6.5
251.07069	10.1
251.10501	2.4
252.07758	12.9
253.08519	3.9
255.06548	3.7
256.07318	2.8
257.08041	4.8
260.08316	5.4
261.09128	28.0
262.06403	3.7
262.09537	3.8
263.06995	13.7
263.10614	5.1
264.07773	4.6
265.05743	1.9
265.08405	12.1
266.09354	12.0
267.10037	4.1
268.53125	2.3
269.08066	7.1
271.05988	4.2
274.06174	2.0
275.10620	2.9
276.07861	3.4
277.08566	24.2
278.09344	14.5
279.06494	6.6
279.10025	2.9
280.07376	9.3
280.10168	1.9
281.08496	3.6
281.11761	14.8
285.07526	56.5
286.08032	5.3
289.08649	10.2
291.06702	3.7
291.10086	5.3
292.07361	3.2
292.10944	3.5
293.08139	7.2
293.11716	24.3
294.08856	6.2
294.12021	2.6
295.09665	5.7
296.10333	3.9
299.08939	2.3
300.09888	70.9
301.10553	17.1
306.08847	8.9
307.09641	8.2
309.07767	2.4
309.11142	33.5
310.11545	5.0
311.09210	4.7
311.12717	3.4
313.10663	10.2
321.11172	36.1
322.11819	6.8
323.09067	9.0
324.09442	2.5
325.10696	4.6
326.11389	21.1
327.11890	5.0
334.58929	2.1
338.11417	8.1
339.12219	36.8
340.12674	2.9
341.13876	21.2
342.14221	2.3
353.09528	4.0
353.13806	70.9
354.14175	6.1
371.14929	57.7
371.20493	3.9
371.25449	2.6
372.15390	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	371.1485
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
50.94374	0.5
55.01828	0.7
55.12812	0.5
67.05470	1.1
69.07023	0.7
69.55614	4.3
69.56017	1.1
71.04958	0.6
79.05456	0.6
81.07037	1.3
85.02883	1.2
90.14432	0.6
91.05433	1.7
93.07011	1.4
95.08578	0.7
97.06500	0.6
103.05406	0.8
105.06982	1.7
107.04893	2.0
107.08572	1.4
109.06500	4.4
109.10081	1.2
112.16068	0.5
119.04923	1.0
119.08561	1.0
120.08036	1.3
121.06446	0.7
121.08419	0.9
121.10119	1.4
123.04330	0.7
129.06961	0.7
131.04895	1.7
131.08517	1.7
133.10133	3.6
135.08002	2.5
135.11639	0.6
137.05951	1.1
144.05688	0.7
145.06401	0.8
145.10074	0.7
147.04362	1.0
147.11652	1.1
149.05847	0.5
153.06979	0.7
157.06503	0.8
159.08047	0.9
160.89963	0.5
161.05972	0.9
165.05505	0.6
165.06842	1.3
166.07712	1.2
167.07048	5.3
173.13214	2.1
175.07541	1.2
176.06175	0.6
178.07774	2.5
179.08510	1.4
181.06396	1.8
184.04961	0.5
187.07486	1.0
189.06990	1.0
190.07758	1.2
191.06953	0.7
191.08463	1.4
191.14296	7.4
193.06435	0.9
193.10231	0.6
194.07301	2.8
195.07990	1.6
196.08745	0.7
200.04514	0.6
203.08495	0.9
205.06474	1.4
205.10095	0.8
206.07182	2.8
207.08014	2.6
208.08746	0.6
209.05949	1.6
209.09787	1.3
209.15300	3.0
211.07390	0.9
217.06471	0.7
218.07253	2.0
219.08044	1.6
221.05937	2.7
221.09558	1.5
222.06699	4.7
222.10187	0.6
223.07520	3.6
224.08238	2.6
225.09084	0.8
231.07993	0.9
232.08817	1.5
233.06117	0.9
233.09615	1.3
234.06714	3.9
234.10278	1.2
235.07478	5.6
236.08176	4.5
237.05435	2.6
237.09064	3.6
239.07028	0.6
240.07695	0.7
243.08099	0.9
246.06699	1.0
247.07495	1.9
248.08249	1.3
249.05374	2.2
249.09084	12.3
250.06258	4.0
250.09790	3.6
251.07001	3.6
251.10716	0.7
252.07790	12.5
253.08504	2.8
260.08157	1.0
261.09055	2.6
263.06937	3.0
263.10147	0.6
264.07751	5.6
265.05057	2.6
265.08536	19.6
265.11865	0.9
266.06158	0.8
266.09311	11.7
267.06564	0.8
267.09967	2.1
269.07999	0.7
277.08582	4.2
278.09241	2.2
279.06433	1.7
279.09827	1.4
280.07278	12.2
280.10825	1.9
281.08026	7.0
281.11359	1.0
282.08554	0.6
292.07236	0.7
293.08090	3.0
293.11691	13.3
294.08890	1.9
294.12057	0.8
295.09583	4.6
296.10394	11.7
297.10895	1.6
301.08658	1.1
307.09512	0.7
309.11240	3.0
310.11688	1.1
311.09158	0.6
311.12704	10.6
312.09851	0.7
321.11203	7.1
324.09979	1.7
325.10394	0.8
328.13116	0.7
339.12234	100.0
340.12811	9.2
341.13617	1.1
353.13892	1.5
371.14862	55.4
372.15237	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1484
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.03932	3.2
54.40796	2.0
55.01852	2.8
55.05479	3.1
57.03424	3.1
57.07048	6.2
59.04710	2.2
59.04991	31.5
60.05320	8.9
65.03928	3.0
65.81999	2.0
67.05495	5.0
69.03400	7.8
69.07040	5.3
70.06597	2.1
70.35555	5.5
70.35957	5.1
71.04980	2.7
79.05495	14.5
81.03384	5.9
81.07037	12.8
83.04915	2.8
83.08621	3.1
85.02906	13.1
91.05437	18.9
93.07023	8.6
95.04955	5.9
95.08574	8.1
97.02894	3.4
97.06505	5.0
99.04391	1.9
101.06001	2.6
102.27938	1.9
103.05453	3.1
105.07019	12.8
107.04938	19.6
107.08584	10.0
109.02895	2.5
109.06493	10.5
109.10137	5.3
111.04414	4.3
115.05429	7.5
115.11205	8.0
116.11572	4.9
117.07014	5.4
119.04883	3.7
119.08558	6.7
120.08064	3.2
121.06458	6.7
121.10102	6.6
122.03630	4.1
122.06031	2.4
123.04409	6.6
123.08044	4.0
123.11687	8.9
124.05198	4.2
125.09672	2.4
127.03866	3.4
128.06184	3.7
129.05402	2.9
129.06961	10.2
131.04916	6.0
131.08560	8.1
133.06470	4.8
133.10114	7.8
135.04506	2.3
135.08064	5.9
135.11685	4.4
137.05957	46.7
141.06970	5.3
143.08582	3.6
144.05716	5.9
145.04910	2.4
145.06473	4.2
145.10083	4.8
147.04372	4.4
147.06587	3.8
147.07948	3.2
149.05991	3.1
149.09631	2.5
151.03917	4.9
151.07494	3.9
152.04680	3.1
153.05406	2.8
156.05695	13.8
157.06491	3.7
158.07246	2.8
159.04376	2.6
159.08047	13.0
161.05984	8.3
163.04004	2.3
163.14806	2.8
165.06923	3.6
165.12706	4.8
167.07027	81.4
167.56842	2.2
169.12163	3.4
172.05133	4.3
173.13335	3.8
174.06767	6.1
174.15787	2.5
175.03857	2.2
175.07529	17.9
177.05511	6.1
178.07727	3.3
179.14398	2.0
181.05026	2.9
181.06494	2.7
184.05147	3.3
187.07521	24.2
189.07043	3.8
189.09103	8.0
190.07742	5.2
191.07002	4.5
191.08531	2.5
191.14296	20.5
191.16391	10.2
192.16724	14.8
193.12086	2.4
194.07286	3.9
195.08043	3.4
199.07443	6.8
201.09126	4.0
202.06122	4.7
202.07796	5.9
203.08530	7.6
205.06474	4.1
206.07275	8.1
207.06389	2.7
207.08081	4.5
209.15317	13.4
215.08603	3.6
217.06517	2.3
217.08533	36.3
218.07228	9.9
219.08008	9.4
219.09947	2.9
220.08917	2.7
221.09543	5.9
222.06718	4.7
223.07500	4.6
224.08217	2.4
231.08008	7.7
233.09492	11.0
234.06699	11.0
235.07574	12.7
236.08269	6.1
237.08989	4.5
239.07063	10.2
239.10703	2.6
241.08488	4.9
242.05612	2.2
246.06743	3.4
247.07419	6.0
247.09634	12.1
248.08180	4.3
249.09052	25.6
250.06305	5.6
250.09839	3.3
251.06992	9.0
252.07732	14.6
253.08386	2.3
257.08109	3.0
259.07480	2.9
260.08347	5.1
261.09109	11.2
262.10010	3.6
263.07037	5.1
264.07776	4.9
265.08578	23.9
265.12863	3.2
266.09338	17.1
269.08112	5.5
271.06033	3.0
276.07822	2.8
277.08621	15.6
278.09158	11.0
279.06601	6.5
279.09979	4.5
280.07306	14.7
281.07959	5.8
281.11694	10.0
283.09720	2.5
285.07520	21.2
289.08704	5.8
293.08093	6.7
293.11700	21.9
294.08679	3.7
295.09647	9.1
296.10419	8.4
300.09808	27.9
301.10623	9.2
306.08664	4.2
307.09528	7.3
309.11105	21.6
311.09073	5.1
311.12888	9.9
313.10422	4.3
321.11157	29.5
322.11584	2.8
323.08899	4.6
324.09729	4.6
326.11444	11.3
327.11932	3.1
338.11264	4.6
339.12234	100.0
340.12790	7.1
341.13800	17.5
353.13751	34.7
371.14944	91.7
371.20468	3.3
372.15244	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	371.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.42701	1.2
55.01860	4.5
55.05502	4.7
56.96558	17.8
57.03428	9.1
57.07059	1.3
59.04990	1.8
60.15729	1.2
61.02922	9.6
65.03934	1.8
67.05495	2.5
69.03421	31.1
69.07062	1.9
70.02928	1.8
70.03754	1.6
70.06584	12.9
71.01340	1.6
71.04977	3.7
71.08588	1.9
71.79199	1.9
72.08139	5.2
73.02908	9.8
73.04748	3.9
73.06549	3.0
74.02438	11.9
77.06082	1.5
81.03410	11.1
82.06577	1.9
83.04995	1.8
84.04498	3.9
84.08143	10.9
84.96036	3.4
85.02896	73.5
86.03227	1.9
86.06026	1.3
86.09704	4.3
87.04443	5.9
88.03946	1.8
89.03888	1.5
91.03951	3.9
91.05330	1.7
91.05869	23.0
92.04993	2.3
92.58067	1.4
94.04192	1.5
94.06557	75.1
95.04955	3.2
96.04490	2.2
97.02882	31.5
98.97570	26.8
99.00802	10.2
99.04434	4.7
101.06006	3.9
103.03947	1.9
104.04996	4.5
105.07044	1.7
106.06540	2.1
107.04939	3.8
109.02873	8.1
110.06002	2.0
110.07150	2.9
110.97572	4.0
111.04462	2.4
112.07578	3.2
112.08728	1.9
114.07319	2.6
114.09161	3.0
115.03918	1.8
116.07085	3.1
116.98607	24.3
117.07005	1.4
118.06528	26.3
119.01883	6.2
119.04930	15.0
120.04453	30.7
120.05238	1.3
121.06494	1.8
122.03608	3.1
122.06002	2.0
123.04388	1.8
124.07561	2.0
127.03923	19.7
128.98605	7.0
129.05507	3.4
129.10246	1.7
130.06532	3.8
130.08632	5.0
131.00142	3.7
132.04385	6.5
132.08093	5.4
134.99663	14.4
135.04405	1.9
136.06183	21.9
136.07570	38.4
137.05956	49.0
138.05467	17.9
138.06348	2.5
139.03940	2.5
140.07030	3.5
143.00107	2.0
143.01898	4.1
144.08086	1.6
145.01759	1.5
145.04945	10.0
146.05997	53.7
146.07938	2.7
146.99629	9.2
147.03226	1.5
147.04391	30.7
147.06450	5.6
147.07538	1.5
148.04764	3.9
149.01164	2.7
149.05954	1.9
150.05479	25.6
150.06606	2.3
151.07477	2.0
153.00673	2.0
153.05472	1.4
155.01854	2.1
155.04657	7.6
156.04456	2.9
158.05994	2.7
158.99617	10.8
160.07549	4.6
160.09630	1.9
161.01245	4.9
161.02919	8.9
161.05931	1.7
163.02701	2.6
163.03935	8.6
163.08644	7.9
164.05363	1.9
164.07050	6.5
165.00717	2.9
165.05475	6.0
167.05675	2.3
167.07062	3.7
170.06047	6.3
170.99669	2.6
173.01199	1.2
173.02939	4.3
173.04668	2.9
174.05540	17.8
177.00691	9.4
177.04088	1.5
177.05757	3.0
178.08611	1.6
179.02322	2.1
179.07042	13.9
184.07472	6.1
185.01312	1.7
185.02937	4.4
186.04292	2.2
187.02736	1.7
187.04530	2.4
188.07127	5.5
189.00749	3.5
190.04974	3.2
190.07480	1.7
190.95399	2.0
191.04010	2.0
191.05801	3.1
192.04733	5.2
192.06525	93.0
192.55579	1.7
193.06935	2.8
195.05037	2.4
196.07533	2.9
197.08102	2.1
198.05566	2.1
198.09145	2.7
200.04434	1.8
201.00706	2.5
203.02243	1.9
203.03993	2.5
204.04485	1.8
205.00270	1.7
208.07373	1.5
208.96609	2.1
209.09186	100.0
210.09328	3.7
212.07103	1.6
213.04173	1.7
213.12308	1.9
214.08582	2.1
215.02213	1.6
215.05762	1.6
218.06541	1.7
219.01682	8.5
219.05089	3.6
221.05092	1.6
223.04869	1.5
224.07254	2.1
226.06313	1.5
226.08479	2.8
227.04172	1.7
227.06770	2.5
228.05290	1.6
234.07489	4.2
235.02815	2.9
236.07143	2.2
237.02806	16.6
237.05231	2.1
237.06096	2.7
238.98543	2.0
240.06657	1.6
241.03891	3.3
244.04445	4.3
244.09674	3.1
245.04749	9.6
245.07068	3.4
245.56557	2.6
246.06584	2.6
251.07599	1.4
251.10207	2.6
253.03673	2.6
253.58084	2.0
256.96570	1.6
256.99509	2.5
261.02869	1.6
262.10773	4.2
264.11359	2.2
268.97812	4.2
270.07550	11.8
271.04907	2.4
272.07803	3.1
272.10428	2.9
272.58331	2.8
274.97659	1.9
280.11789	1.6
281.04950	1.7
281.07401	2.2
281.09805	1.9
281.60138	1.5
282.07437	2.4
285.00882	9.8
287.10391	2.0
287.16394	4.6
290.08578	1.4
291.07425	3.7
293.05325	2.5
295.04910	1.6
297.07529	1.7
298.12842	3.2
299.06030	1.9
300.08658	3.8
303.01923	2.0
304.86157	1.2
309.02676	3.0
309.08429	8.1
310.08856	2.3
318.09705	12.4
321.01749	2.3
329.05569	2.3
335.12329	4.6
336.10672	8.3
339.09354	2.1
346.95905	5.0
347.11713	2.1
348.06876	3.0
353.13641	2.8
355.07025	11.1
362.11981	5.2
363.09552	1.5
365.09390	2.5
370.61859	2.3
371.18896	2.4
371.23196	1.9
371.62259	2.5
372.12286	2.5
372.16544	5.1
381.10327	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	370.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75705	0.4
53.03936	1.0
53.34703	0.5
55.01877	0.8
55.05499	0.8
57.03423	1.5
57.07067	14.6
59.04991	100.0
61.02907	0.9
67.05499	1.3
69.03426	3.0
69.07075	0.9
70.06577	0.9
71.79362	0.8
71.79781	0.8
73.02908	0.7
79.05499	1.9
81.03410	2.7
81.07056	1.6
85.02893	11.6
85.03376	1.0
85.06530	0.7
86.09660	0.8
91.05448	4.4
91.41587	0.5
92.05825	1.5
93.07018	0.9
95.04967	1.6
95.08612	1.2
97.02861	2.9
97.06522	0.8
97.10158	1.0
99.04445	0.9
100.11253	0.8
100.12862	0.5
103.05455	1.4
105.07043	2.0
107.04917	3.5
107.08610	1.7
109.02866	2.2
109.06502	1.1
111.32191	0.5
115.05446	0.9
115.11193	26.4
117.07030	0.7
117.09150	0.8
119.04944	2.5
119.08566	1.4
120.05289	1.3
120.08085	2.9
121.06519	0.7
121.10138	0.8
122.03664	0.6
123.04407	0.9
123.08070	0.7
123.11703	1.2
127.03881	2.9
128.06190	0.9
129.06992	1.5
131.04913	0.8
131.08566	1.0
133.06487	1.3
133.10144	1.0
135.08080	0.9
137.05954	5.7
145.04953	1.1
147.04424	2.4
147.08075	0.8
148.04785	1.9
149.13245	0.6
151.03903	0.9
156.05736	1.1
157.06487	0.8
159.08078	1.6
161.06000	2.5
165.12737	0.6
167.07031	12.2
167.08401	0.5
172.05244	0.8
173.15367	5.5
174.06783	0.6
175.03911	2.6
175.07611	2.4
176.04202	3.6
178.07770	0.6
179.07018	1.3
181.05017	0.7
187.07520	4.2
189.07262	0.6
189.09097	1.3
191.07014	1.3
191.14569	2.2
191.16389	44.8
192.16765	1.2
195.08078	0.6
199.07520	0.8
203.08591	1.2
205.06689	0.6
205.10226	0.6
206.07321	1.2
207.06447	4.1
207.08282	0.8
208.06854	7.7
209.15393	2.3
215.50635	0.5
217.08627	3.4
218.07307	1.3
219.08083	1.4
221.09673	0.8
223.07616	0.8
231.08220	0.7
233.09602	1.3
234.06723	1.2
235.07532	1.6
239.07019	0.8
247.07471	1.2
247.09714	0.7
248.08403	0.7
249.09114	2.8
252.07840	1.2
256.43436	0.6
261.09174	1.9
262.06250	0.5
262.09918	0.6
263.07028	1.1
264.07959	0.7
265.05963	0.7
265.08734	2.1
266.09415	1.0
277.08682	1.8
278.09503	1.6
279.10355	0.7
280.07397	0.9
281.08298	0.8
281.11655	1.3
285.07703	2.2
289.08850	0.9
293.08322	1.4
293.11700	1.2
295.09531	0.7
297.29318	0.6
300.09985	2.3
301.10492	0.7
306.08728	0.5
309.11194	3.0
313.10510	0.9
321.11035	3.3
325.10690	0.9
326.11426	1.3
339.12231	8.2
340.12695	1.0
341.13724	3.9
352.11307	1.9
353.14059	3.4
370.13330	2.0
370.27524	1.3
371.14890	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	370.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.3
57.07068	53.5
69.03419	1.0
70.06576	1.4
70.96504	2.9
71.01338	1.4
73.02911	2.3
75.04467	1.1
83.46599	0.9
85.02901	9.0
85.06534	68.3
86.06853	1.5
91.05483	2.3
95.01314	6.6
95.04953	1.6
97.02888	1.5
98.73708	0.8
99.00816	1.1
103.03959	1.0
103.07584	7.5
112.14961	0.8
113.02383	4.5
116.27466	0.8
119.04948	1.2
121.10144	1.0
131.03378	1.7
137.05974	1.2
141.01826	16.8
149.09613	9.3
151.07544	0.9
159.02882	2.2
159.10152	100.0
160.10493	2.7
176.04251	0.8
176.45871	0.9
177.11198	78.1
178.11597	3.0
191.14281	4.3
208.06648	1.2
208.09665	4.1
243.08775	1.3
275.63425	0.9
275.82504	0.9
280.08295	1.0
285.43411	0.8
301.52670	0.9
306.88458	0.9
317.12109	1.7
335.13370	1.6
351.10748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66112	0.8
52.58388	1.0
53.03930	1.2
54.03459	0.9
55.05498	4.8
57.03430	2.2
57.07068	3.0
57.81335	1.2
58.06604	1.5
59.04997	2.4
65.03929	3.0
67.05493	13.8
69.03421	2.4
69.07055	17.0
70.06570	1.4
71.04966	1.6
71.79337	1.3
71.79784	1.2
73.04032	13.2
74.02429	2.8
79.05466	6.7
80.05009	1.5
81.03405	4.0
81.07040	11.7
82.06564	42.3
83.04958	12.0
83.08577	2.1
84.08131	28.1
85.02910	3.4
85.06516	3.4
86.09692	32.4
87.04448	1.2
91.05432	8.2
92.05808	1.4
93.07037	6.8
94.06554	10.1
94.55640	1.0
95.04954	15.5
95.08593	4.5
96.08116	3.6
97.06506	2.2
97.10163	2.2
102.09164	1.7
105.07012	8.2
106.06602	1.1
107.04929	4.2
107.08583	6.5
108.04493	1.8
108.08081	3.4
109.02859	11.4
109.06467	2.5
109.07641	2.8
109.10144	2.9
110.06020	100.0
111.06326	1.4
112.07587	31.7
115.05477	1.4
119.04933	3.8
119.08559	4.4
120.05296	3.6
121.06471	1.1
121.10142	5.6
122.05991	3.3
123.04414	2.3
123.09170	2.6
124.05161	1.8
124.07545	1.2
125.09587	1.9
126.05458	1.4
127.03886	1.1
127.08665	5.4
129.06996	1.7
129.10211	16.8
131.04955	1.4
131.08551	3.5
131.11778	9.7
132.10173	1.5
133.06525	1.3
133.10083	6.2
134.09633	1.3
135.08067	1.7
137.05968	4.3
137.07079	15.0
138.05493	6.3
139.08633	17.5
143.04999	1.3
145.10077	2.5
147.04384	3.5
147.11632	1.8
148.04787	1.8
148.11182	25.1
149.09560	5.5
150.12746	12.9
150.13882	1.5
151.03868	1.6
151.99318	1.0
157.10162	1.3
159.08061	2.8
159.11455	1.2
160.11240	1.5
161.05948	3.1
161.09491	1.1
161.13251	1.4
162.12756	4.1
163.03865	1.3
165.06575	2.9
165.12633	1.5
165.13881	2.3
166.12236	2.7
167.07027	16.8
168.13828	1.9
169.09976	1.2
175.03928	4.0
175.07529	3.3
176.04218	5.3
176.10701	5.4
177.05446	1.8
177.13899	3.7
178.12233	13.8
179.15373	3.1
185.13290	1.0
187.07500	6.1
187.12308	1.6
189.09091	3.0
191.07013	1.9
191.14400	2.1
193.11551	2.0
193.13336	51.1
194.11749	11.3
195.14897	58.5
196.13261	3.9
196.15099	2.1
199.07582	2.1
203.17955	1.6
205.13361	12.6
207.06390	5.2
208.06883	10.9
211.14348	2.5
216.15887	2.7
217.08556	2.1
218.07275	1.6
219.07990	1.5
221.12862	13.0
222.11211	2.0
223.14371	2.8
224.12793	2.4
233.09584	1.2
234.06578	1.6
234.18658	1.1
235.07587	1.7
239.13844	1.7
240.12144	1.4
241.15436	71.1
242.13745	1.5
248.08440	1.3
249.09070	2.5
250.15492	2.3
251.13901	13.9
261.09055	2.8
261.19635	5.1
263.07111	1.0
264.07675	1.5
265.08630	2.3
266.09280	1.9
268.13580	7.1
277.08582	2.5
279.13519	2.0
280.19034	4.2
281.11752	2.2
292.11185	1.4
292.22696	1.8
293.11731	3.4
296.16028	7.0
307.09793	1.9
307.20074	13.8
309.10995	2.6
311.13303	1.2
321.11200	3.3
326.11432	1.3
335.19666	4.2
338.11285	1.8
339.12180	8.8
341.13727	4.1
352.10956	2.0
352.22256	44.2
353.13971	2.3
353.20554	6.8
370.13397	2.8
370.23450	21.0
370.27878	2.7
371.15219	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	370.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03538	0.3
55.01838	0.5
55.05493	0.4
56.96545	0.9
57.03423	0.6
61.02904	0.8
65.03912	0.3
69.03423	1.9
69.07034	0.7
70.06270	0.4
70.06579	3.8
71.04973	0.8
71.06881	0.6
71.78835	0.3
72.08117	1.1
73.02897	0.8
73.04726	0.4
79.05469	0.3
81.03398	0.9
81.07038	0.6
83.04905	0.5
84.04456	0.4
84.08109	0.9
84.96015	0.4
85.02898	4.6
86.09650	0.4
87.04478	0.3
91.03924	0.4
91.05833	1.8
95.04915	0.3
97.02910	1.7
97.06507	0.6
98.06056	0.3
98.97553	1.2
99.04421	0.3
101.05993	0.3
107.04900	0.5
109.02831	1.0
110.06045	0.5
110.07111	1.0
113.06010	0.4
114.09132	1.3
116.07063	0.8
116.98593	0.9
119.04952	0.4
121.02908	0.4
121.06483	0.5
122.07145	0.4
123.04277	0.4
127.03884	1.5
128.98593	0.4
129.05399	0.5
129.10172	0.4
129.99503	0.4
134.99626	0.8
136.06102	0.4
137.05952	0.9
138.05435	0.3
139.03894	0.4
140.07104	0.5
145.04878	0.7
146.05959	1.3
146.99677	0.4
147.04417	0.4
148.04991	1.5
148.06134	0.4
158.99583	0.4
161.05846	0.5
162.05467	0.5
163.03896	1.2
167.07018	0.6
173.08069	0.6
176.04536	100.0
177.00684	1.0
177.04861	1.7
178.04929	0.8
190.05017	0.7
191.05496	0.5
201.00691	0.4
208.07158	72.8
209.07529	1.3
213.12352	1.1
214.12680	1.3
219.01801	0.6
227.02213	0.3
234.98805	0.4
237.02821	0.8
244.06648	1.5
268.97775	0.4
285.00925	1.2
352.10147	0.3
355.07065	1.2
359.57431	0.3
370.12384	33.7
371.12491	1.6
388.10828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3147
Annotation	CHEBI:68397
Peak:m/z	Relative Intensity
53.03939	1.3
55.05506	4.9
56.01865	0.6
57.03421	0.6
57.07057	1.6
63.38585	0.6
63.80230	0.6
65.03941	0.7
67.05495	11.5
69.07057	7.4
69.58842	1.8
69.59257	4.0
79.05064	1.0
79.05481	10.5
81.07044	21.6
83.04934	0.8
83.08594	2.5
85.06523	0.7
91.05464	18.6
93.07030	25.8
95.04958	1.8
95.08592	23.2
97.10153	2.0
99.52925	0.8
105.07011	24.3
107.08573	26.2
109.10136	14.6
111.11668	0.8
117.06999	2.1
119.08562	23.7
121.10127	33.8
122.10461	1.2
123.11667	6.5
125.09576	0.7
127.11108	0.6
131.08528	6.4
133.10107	17.5
134.92255	0.6
135.11670	20.8
137.13222	1.7
139.11240	1.0
143.08578	1.3
145.10112	9.9
147.11659	35.6
148.11992	1.2
149.13220	10.0
157.10121	2.5
159.11681	9.0
161.13229	18.3
163.14790	11.7
164.15314	0.7
171.11646	2.0
171.75629	0.7
173.13274	6.6
174.13960	0.6
175.14787	6.5
177.16345	2.5
179.14301	2.1
185.13283	2.5
186.14026	1.1
187.14777	6.6
189.16360	8.7
191.17899	5.3
199.14787	2.2
201.13144	0.7
201.16344	5.3
203.17992	5.1
205.15894	1.0
207.17392	3.9
213.16342	1.8
215.17918	9.1
217.19469	2.8
227.17931	3.0
229.19470	9.6
241.19495	1.6
243.21089	2.6
247.16806	0.7
247.20541	2.2
253.19531	1.2
255.21078	4.3
257.22614	1.6
273.22177	3.2
281.22632	1.5
295.24356	1.0
351.30438	12.0
369.31485	100.0
370.31750	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	369.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97574	0.6
53.03931	1.0
53.84031	0.5
55.01851	2.6
55.05499	7.1
57.03422	1.3
57.07057	2.4
59.05004	0.9
59.93662	0.6
65.03912	0.9
67.05493	15.1
69.03428	1.3
69.07056	10.5
69.52120	5.6
71.04967	1.2
71.08617	3.8
79.05481	14.7
81.07044	33.4
82.07383	0.7
83.04967	1.7
83.08616	4.5
85.02885	0.7
90.95508	0.5
91.04903	1.2
91.05466	21.1
93.07030	29.8
95.04964	3.5
95.08590	31.4
97.06506	4.5
97.10149	2.2
98.20687	0.9
99.08082	3.2
105.07014	29.2
106.07323	0.8
107.08577	30.2
109.06499	5.1
109.10143	17.2
111.08041	1.8
111.11687	1.0
117.07016	3.6
119.04977	0.7
119.08567	29.2
121.06486	2.0
121.10127	25.8
121.44144	0.6
122.10468	0.7
123.08040	2.4
123.11674	8.5
124.27184	0.6
125.05989	0.6
125.09608	1.2
128.06180	0.8
129.06973	1.3
131.08546	8.3
133.10109	22.3
135.07990	1.9
135.11667	25.6
136.12003	0.9
137.09538	0.9
137.13217	2.5
139.11177	1.7
143.08551	2.7
145.10103	13.7
147.04387	0.7
147.07999	0.8
147.11664	44.5
148.11983	1.1
149.03799	0.7
149.09529	0.7
149.13235	13.3
151.11156	1.8
153.12764	1.2
157.10094	2.6
159.11668	11.8
161.13239	22.0
162.13602	0.7
163.11145	1.4
163.14812	11.7
165.12729	7.6
169.10097	0.7
171.11642	3.4
172.12340	0.8
173.13229	9.2
175.14816	8.7
177.12740	1.6
177.16344	3.5
179.14293	1.7
181.15834	1.5
183.11681	0.9
185.13222	3.1
186.13882	0.6
187.14807	7.6
189.16376	13.5
190.16661	0.7
191.14314	1.5
191.17921	5.5
193.15828	0.9
197.13214	1.0
199.14803	3.3
201.16376	7.6
203.14384	0.6
203.17938	6.4
205.15761	1.1
207.06543	1.0
207.17461	3.8
211.14835	1.3
213.16397	3.1
214.17264	0.7
215.17917	9.7
217.19527	3.0
225.16287	0.9
227.17886	2.3
229.19505	9.4
233.18825	0.6
241.19545	3.4
243.21133	2.3
246.66739	0.6
247.20547	2.3
254.27786	0.6
255.21107	4.9
257.22635	1.2
259.20462	2.2
261.22113	2.7
271.20584	1.0
273.22034	2.8
277.21567	3.9
279.64795	0.8
281.22562	2.2
289.21600	9.4
295.23990	1.1
307.22543	2.8
309.25754	0.7
323.27289	1.2
333.24158	5.2
351.25259	13.9
351.30429	12.4
352.25464	1.4
352.30975	0.7
369.27856	5.1
369.31500	100.0
369.78888	0.9
370.31860	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	369.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.05502	2.3
57.07057	0.8
65.03946	0.4
66.48009	0.2
67.05495	5.8
69.07061	2.4
74.10762	0.3
76.73232	0.2
77.03917	0.5
79.05482	4.2
81.07047	4.7
83.08601	0.8
91.05462	5.2
92.05809	0.3
93.07031	26.9
94.07366	0.8
95.04966	1.2
95.08594	24.5
96.08931	0.6
97.06512	0.3
97.10132	0.5
98.20641	0.5
105.07010	6.1
107.08581	10.7
109.06504	0.5
109.10139	22.0
110.10487	0.7
117.06994	1.0
119.08564	5.7
121.10126	100.0
122.10461	3.3
123.08064	0.8
123.11701	2.9
129.07001	0.5
131.08545	2.7
133.10110	5.0
135.08084	0.4
135.11673	13.1
136.12006	0.5
137.09523	0.3
137.13197	1.7
141.37692	0.2
143.08554	1.1
145.10115	3.0
147.08035	0.3
147.11652	2.9
149.09560	0.3
149.13237	2.2
150.58356	0.3
155.08525	0.2
157.10107	1.0
159.11676	2.0
161.09576	0.2
161.13249	1.6
163.14803	0.8
169.10187	0.4
171.11687	1.0
171.26660	0.2
173.09732	0.3
173.13191	1.7
175.14819	2.3
177.16380	0.3
181.10327	0.3
183.11694	0.6
183.35326	0.2
185.13269	1.0
187.14798	2.7
189.16380	0.9
191.10635	0.3
197.13187	0.3
199.14796	1.4
201.16388	2.6
202.16727	0.3
203.17990	0.8
205.12212	0.5
207.06480	0.4
211.14772	0.4
213.16377	1.3
215.10548	0.3
215.17935	1.7
219.13681	0.5
225.16379	0.7
227.17961	0.8
229.19511	1.0
233.15405	0.6
239.17920	0.5
245.15358	0.4
247.16945	0.4
253.19569	0.6
259.16959	0.9
261.18542	0.5
263.18207	0.3
267.21021	0.7
271.16821	0.4
273.18658	0.4
275.19965	0.5
281.22528	0.3
285.18527	0.3
305.22580	0.2
323.27313	2.9
351.26828	0.3
369.24033	0.6
369.27875	10.1
370.24231	0.3
370.28299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05499	2.1
57.07054	0.7
65.03933	0.5
67.05128	0.3
67.05492	5.1
69.07063	1.8
73.12119	0.2
79.05481	4.4
81.03403	0.2
81.07041	3.9
81.70203	0.2
83.08601	0.7
91.05459	5.0
91.23859	0.2
93.07027	26.3
94.07362	0.7
95.04943	1.2
95.08590	22.8
96.08904	0.6
96.93513	0.2
101.00711	0.2
105.07014	5.6
107.08575	9.0
108.08894	0.3
109.06524	0.3
109.10138	22.1
110.10452	0.7
117.06984	0.9
119.08555	5.3
121.10123	100.0
122.10444	3.3
123.08038	0.6
123.11690	2.9
125.09560	0.2
129.06982	0.3
131.08542	2.0
133.10100	4.4
135.11668	12.8
136.11989	0.5
137.13254	1.3
137.14140	0.2
137.43153	0.2
143.08539	0.9
145.10089	2.8
147.08018	0.3
147.11664	2.6
149.05853	0.2
149.13216	1.7
154.73836	0.2
155.08588	0.2
157.10133	1.1
159.11678	1.9
161.13248	1.9
163.14787	0.9
169.10219	0.5
171.11656	1.1
173.13223	1.4
175.14830	1.7
175.70470	0.2
177.16386	0.5
183.11598	0.5
185.13237	0.9
187.14810	2.3
189.16339	1.1
197.13226	0.5
199.14821	1.2
201.16338	3.1
202.16690	0.2
203.17978	0.7
205.12227	0.5
207.06529	0.2
211.14807	0.3
212.15079	0.2
213.16306	1.4
215.17886	1.6
219.13684	0.4
225.16377	0.4
227.17993	0.7
229.19527	0.6
233.15399	0.3
239.17958	0.4
241.19499	0.3
245.15346	0.2
247.17152	0.2
253.19466	0.8
259.16843	1.2
261.18512	0.5
267.21097	0.4
271.16852	0.3
273.18460	0.8
275.20129	0.6
281.22571	0.4
285.18552	0.3
299.19901	0.3
301.09238	0.3
323.27328	2.8
324.27597	0.3
327.23160	0.2
333.80096	0.2
351.26910	0.3
369.24127	0.6
369.27875	8.6
370.28210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05503	1.8
57.07052	0.4
65.03928	0.2
65.76009	0.2
67.05129	0.3
67.05490	5.4
69.07059	1.3
71.79780	0.3
72.04500	0.3
72.91026	0.2
79.05477	4.1
81.07053	3.0
83.08604	0.4
91.05459	4.1
91.20565	0.2
93.07030	25.2
94.07371	0.6
95.04969	1.2
95.08593	21.7
96.08909	0.6
105.07011	5.1
107.08578	8.3
108.08911	0.2
109.06512	0.3
109.10142	18.4
110.10483	0.8
117.06964	0.6
117.43288	0.2
119.08552	3.9
121.10126	100.0
122.10448	3.6
123.08022	0.5
123.11691	2.1
127.71957	0.2
129.07001	0.3
131.08536	1.7
133.06464	0.3
133.10110	3.0
135.11670	11.6
136.12030	0.3
137.13240	1.0
143.08546	0.5
145.10127	1.6
147.11647	1.9
149.13251	1.3
157.10129	0.7
159.11687	1.6
161.13268	1.3
163.14819	0.7
171.11671	0.7
173.13271	0.9
175.14830	1.2
179.10654	0.3
183.11661	0.4
185.13246	0.7
187.14812	1.7
189.16397	0.7
193.15848	0.3
197.13222	0.3
199.14810	0.6
201.12772	0.3
201.16394	1.3
203.17917	0.6
213.16359	0.9
215.17986	1.2
219.13834	0.3
225.16335	0.3
227.17989	0.8
229.19478	0.7
233.15379	0.3
239.17770	0.5
253.19508	0.3
259.16949	0.6
261.18430	0.6
267.20923	0.4
271.16983	0.4
273.18588	0.4
275.20081	0.6
281.22452	0.3
283.17099	0.3
285.18634	0.3
287.19995	0.3
299.20221	0.3
313.21622	0.4
323.27249	2.2
324.27908	0.3
369.23785	0.4
369.27814	5.9
369.32098	0.4
370.28073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01879	3.1
55.05499	23.6
57.03434	3.1
57.07065	8.6
62.06081	3.6
64.61872	2.7
67.05491	65.7
69.07050	22.5
69.39968	2.1
69.80042	19.0
71.04980	7.2
71.08619	44.1
79.05479	55.4
81.03423	5.5
81.07042	68.0
83.04979	8.6
83.08612	16.6
85.06534	6.3
87.83086	1.9
91.05467	40.0
93.07028	79.4
93.39777	1.9
95.04941	15.9
95.08590	63.4
97.06507	14.0
97.10179	9.8
99.08072	31.8
105.07002	40.9
105.07603	2.9
107.04949	6.5
107.08573	60.4
109.06511	7.3
109.10139	36.9
111.08109	5.2
113.09620	3.7
117.07030	8.6
119.08576	35.2
121.06499	3.0
121.10124	51.8
123.08051	4.0
123.11659	15.6
125.09632	5.6
127.52985	2.9
129.07021	6.5
131.08530	17.5
133.10088	33.3
135.08054	3.3
135.11678	59.8
137.09598	3.6
137.13293	4.8
141.09180	4.0
143.08588	8.3
145.10091	18.0
147.11658	23.9
149.09662	4.9
149.13193	17.8
151.11157	16.8
153.09164	3.5
157.10085	13.2
159.11676	14.0
161.13213	20.3
163.11238	6.6
163.14809	7.9
165.12776	8.6
166.21089	2.4
167.10698	3.9
168.09290	2.7
169.10072	4.9
169.25032	2.5
171.11717	10.6
173.11861	3.7
173.13312	9.6
175.14857	8.9
177.12711	5.7
179.14273	100.0
180.14676	5.8
183.11691	3.8
185.13286	9.7
187.14859	11.4
188.97192	2.6
189.12805	4.4
189.16287	5.0
193.12218	5.3
195.13875	3.7
197.13319	3.2
199.14833	9.3
201.16393	11.7
203.17975	2.9
212.84251	2.7
213.16356	12.1
215.17960	8.0
221.15372	2.7
227.12828	2.9
227.18007	3.9
235.08429	2.6
235.16936	6.6
237.11127	5.0
239.18008	4.4
241.19415	3.4
245.15405	2.3
253.19482	3.2
259.17169	3.3
259.20575	9.7
277.21567	62.5
288.06305	2.5
293.17395	7.0
299.20056	3.1
323.27359	16.8
333.24283	3.0
351.25235	82.8
352.25659	6.3
369.24097	5.7
369.27921	34.6
369.31570	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03926	2.0
55.01865	0.9
55.37386	0.5
57.03420	1.6
59.04998	1.1
61.02902	0.5
65.03923	1.7
67.05489	0.9
69.03422	7.2
69.07069	0.7
69.66806	0.4
71.04973	1.2
71.08884	1.3
71.66615	0.4
72.08120	0.5
73.02907	0.5
78.64034	0.4
79.05465	1.4
81.03407	15.1
81.07038	1.4
85.02889	5.9
91.05465	24.2
93.07020	1.3
95.04934	1.1
95.08566	0.7
95.90717	0.4
97.02881	2.2
97.06513	0.7
99.04427	1.7
103.05439	1.1
105.06995	1.5
107.04958	0.7
107.08569	1.2
109.02864	5.9
109.06464	0.7
116.01658	1.3
119.04928	32.3
119.08511	1.0
120.05268	1.1
121.02847	0.7
121.10119	0.7
127.03871	2.0
129.03355	0.7
131.04886	1.0
132.02065	1.5
133.02785	1.0
133.06410	0.7
133.10133	1.1
135.04317	0.7
135.08047	0.5
135.11649	0.5
136.05164	0.8
137.05905	2.6
140.05254	1.1
144.01254	0.5
145.02916	1.0
145.04907	0.6
147.04385	32.1
147.11609	0.7
149.02303	0.9
150.03764	0.6
151.07584	0.7
157.03960	2.4
161.05965	1.0
164.04639	1.1
166.06758	0.7
167.07085	0.5
168.04758	1.4
175.03880	56.3
176.04222	1.3
177.05510	0.5
179.07025	2.2
179.08372	0.6
183.06505	0.7
187.07452	0.7
191.08482	0.7
192.04182	2.4
199.07526	1.3
203.08478	0.5
207.06496	100.0
207.09972	2.7
208.06868	2.7
218.07233	0.8
219.08095	1.0
220.08690	0.7
221.09673	0.8
223.07533	0.8
225.07500	1.9
231.08029	1.0
234.06746	0.8
235.07379	0.5
243.07921	1.3
247.07489	1.2
248.11188	0.6
249.05534	0.6
249.09225	0.7
251.06953	0.6
263.06967	0.5
263.10559	0.6
265.08600	1.8
266.12064	0.8
271.07501	3.2
276.07584	0.7
276.10361	0.7
277.08545	1.1
282.08984	0.5
291.10165	2.1
294.08612	0.6
307.09805	0.7
308.10355	0.6
309.10968	1.7
315.08694	0.7
319.09555	1.4
337.10638	10.3
338.11102	1.4
339.12308	1.2
351.10657	20.3
352.11063	1.1
369.12872	8.4
369.19370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03921	0.8
54.38778	0.3
55.01842	0.7
57.03431	7.0
61.02906	1.4
65.03915	1.4
67.01839	0.4
68.99776	0.4
69.03421	4.8
70.90495	1.1
71.01347	7.3
71.05000	0.8
73.02909	9.0
75.04449	1.0
79.05488	0.8
81.03405	3.4
83.01331	1.2
85.02895	18.6
87.04434	0.5
91.05469	100.0
92.05800	2.3
95.01315	3.7
95.04974	0.8
97.02887	7.3
99.00808	2.1
99.04465	2.3
101.02380	2.0
103.03950	2.4
105.03381	7.0
109.02839	1.0
113.02350	8.6
115.03971	0.4
117.03403	0.4
117.05473	0.6
119.04926	8.0
123.00803	0.6
123.04427	1.0
127.03886	0.9
131.03389	4.7
137.05960	5.3
141.01808	10.5
145.02824	1.3
145.04936	1.5
147.04393	7.8
155.06972	0.5
156.13637	0.4
157.03958	0.7
159.02893	2.8
159.06537	1.0
169.04866	0.9
175.03889	11.9
176.04308	0.4
177.05435	2.5
179.07014	3.7
187.06001	1.3
193.08583	23.4
194.08911	0.7
197.04480	1.4
207.06506	25.0
208.06898	0.7
215.05478	3.2
221.07986	0.5
233.06447	0.5
235.09592	5.2
235.11638	0.4
254.24373	0.4
270.74438	0.3
277.10999	0.6
301.53171	0.4
305.10306	0.5
307.21204	0.3
323.11176	0.4
333.09702	1.0
351.10672	4.0
369.11737	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	368.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
57.06832	0.3
57.07070	4.3
57.07342	0.5
58.06586	0.9
60.08156	18.8
61.08509	0.3
67.05496	0.7
69.07062	0.7
71.08622	1.8
71.80273	0.4
81.07040	0.5
83.08604	0.4
85.10160	1.2
91.05477	0.7
95.08585	0.6
105.06995	0.4
107.08621	0.4
121.10104	0.4
160.65611	0.4
161.13191	0.4
203.14471	0.3
294.40250	0.3
351.58401	0.3
368.42474	100.0
369.30042	1.0
369.42795	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	369.1176
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03940	1.5
55.01849	0.9
55.05498	1.1
57.03430	7.7
59.04990	0.7
59.25103	0.5
61.02914	1.4
65.03915	1.0
67.05490	0.7
69.03426	6.7
70.06590	0.9
71.01347	7.7
71.04975	1.6
71.79089	0.9
73.02910	7.5
75.04465	1.0
79.05482	1.0
81.03409	7.4
81.07037	0.5
83.01349	1.6
83.04957	0.9
85.02895	25.2
89.03929	1.1
91.05470	100.0
92.05807	1.4
95.01318	1.6
95.04938	0.8
95.08610	0.7
97.02300	0.9
97.02881	8.5
99.00813	2.0
99.04449	3.4
101.02370	2.3
103.03941	1.9
103.05424	0.6
103.32074	0.5
105.03395	0.8
105.07019	1.1
107.04988	0.9
107.08564	0.6
109.02882	3.8
111.00817	0.4
111.04413	0.6
111.08058	0.4
113.02351	6.7
117.01842	0.7
117.03367	1.8
117.05524	0.7
119.04925	17.5
119.08593	1.1
120.05281	0.7
123.00804	0.6
123.11694	5.8
125.05981	1.0
127.03921	2.2
131.03415	4.3
132.02020	0.7
135.04410	1.0
137.05957	3.8
141.01822	6.4
145.02832	6.0
145.04971	1.2
145.10139	0.6
147.04388	14.3
147.07973	0.6
147.11684	1.2
149.02225	0.5
149.06010	0.8
149.09628	0.9
157.03973	1.4
159.02864	2.5
159.06528	1.1
163.03923	1.4
167.07024	0.8
169.04909	1.2
175.03886	25.6
176.04292	0.6
177.05455	9.0
178.83543	0.4
179.07056	1.6
187.05917	1.1
189.12709	3.3
192.04256	0.9
193.08588	21.0
194.08968	0.8
197.04422	1.1
197.43227	0.6
207.06502	50.7
207.13841	3.2
207.15530	0.6
208.06902	1.3
215.05481	2.7
225.07655	0.9
235.09596	5.1
277.10513	0.7
285.78311	0.5
312.09451	0.5
333.09787	1.0
333.16965	1.1
351.10654	10.3
351.17831	0.7
369.04739	0.6
369.11755	6.7
369.19196	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74394	0.7
53.03916	1.1
55.01854	2.0
55.05497	15.4
56.05030	0.9
57.03421	2.7
57.07053	0.7
58.06581	4.2
59.04981	0.9
60.04510	14.4
67.05490	12.8
69.03413	3.2
69.07053	11.9
70.06713	3.8
71.04981	7.5
71.60856	0.7
72.04510	1.2
72.08168	0.9
75.86263	0.7
79.05476	12.9
80.05009	1.4
81.03394	2.2
81.07037	10.4
82.06561	1.8
83.04950	2.3
83.08606	8.7
84.08129	6.5
85.02868	0.7
85.06541	3.6
86.09691	23.9
88.07607	2.0
91.05461	8.4
93.05768	0.8
93.07021	10.0
94.06571	2.1
95.04951	4.3
95.08597	5.8
96.08105	3.5
97.06508	1.8
97.10143	15.1
100.07580	1.7
101.06069	0.8
105.07014	5.1
105.84786	0.8
106.06553	1.0
107.04912	2.1
107.08566	9.4
108.08085	1.2
109.06487	3.4
109.10138	2.4
110.05998	2.0
111.08045	1.1
112.07578	21.2
113.05973	1.9
114.09151	1.1
117.06974	3.8
119.04905	1.8
119.08579	3.9
121.06471	2.1
121.10123	7.0
122.09618	4.3
122.10400	0.9
123.04445	1.0
123.08017	2.7
124.07548	1.0
125.09601	10.4
126.09140	0.9
128.10689	23.7
129.06985	1.0
130.08600	2.0
131.08531	4.5
133.10098	2.5
134.09645	1.6
135.08028	2.0
135.11649	2.7
137.09543	1.0
138.12749	2.6
143.08545	1.2
145.10088	2.6
146.09572	1.0
146.39545	0.7
147.04451	1.0
147.08066	1.2
147.11684	1.7
148.11076	1.5
154.08612	8.3
156.10170	1.0
157.10094	1.4
159.11679	2.1
161.09618	0.9
161.13277	1.1
163.11153	1.3
169.09985	0.9
172.09662	9.2
175.03882	1.8
175.11157	1.0
180.13788	12.5
183.11629	0.8
187.11116	1.9
189.11140	9.1
189.50441	0.8
201.09076	1.9
207.06453	5.7
221.15363	2.1
222.14833	1.1
223.13292	3.9
272.20099	1.9
273.18454	2.4
290.21085	7.9
291.19397	5.9
308.22137	9.7
332.21982	1.9
350.23209	20.5
351.23636	1.5
368.24237	100.0
369.13239	1.6
369.24481	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	368.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53720	0.4
55.05498	0.6
56.96552	5.1
57.03416	2.2
61.02909	4.8
65.43719	0.4
69.03408	1.8
69.07034	1.0
69.95206	2.0
69.95628	1.2
70.06583	2.4
70.98103	0.6
71.01337	0.6
71.04977	0.5
72.08135	0.4
73.02899	1.8
79.93729	0.4
81.03409	1.6
84.08138	1.0
84.56015	0.4
84.57415	0.4
84.96039	0.4
85.02887	6.2
85.06550	0.9
86.06052	1.7
86.09690	100.0
87.10031	1.3
88.99143	0.8
89.01907	0.4
97.02874	2.5
98.97562	5.6
99.04453	0.7
101.00908	0.5
104.07055	0.9
104.94608	0.5
109.02847	1.0
110.07161	0.9
110.97572	0.8
111.00199	0.5
112.07613	0.8
116.07093	0.6
116.98608	4.8
117.01849	1.9
118.01044	0.8
119.01885	1.3
119.02666	0.5
122.07194	0.6
127.01510	1.5
127.03873	2.9
128.98586	1.6
130.08614	7.2
131.00179	0.6
131.01814	0.6
132.10181	76.1
133.03485	1.0
133.10555	1.6
134.99631	2.1
137.05986	0.5
143.00162	0.6
143.01791	0.6
145.04941	1.1
146.99600	2.5
154.00217	1.4
156.01799	1.0
157.02541	1.0
158.99620	1.0
160.07698	0.6
161.01140	0.9
161.02907	0.8
163.03856	2.9
165.00687	0.8
167.06963	0.7
169.00702	0.8
170.99603	0.6
172.94354	1.7
172.97603	0.5
173.01120	0.5
173.02995	0.7
175.00682	0.5
177.00642	1.9
177.02211	0.9
178.04974	2.8
179.07098	0.5
183.53217	0.5
183.55699	1.0
184.01414	0.5
186.04387	0.7
186.99220	0.5
189.00743	0.8
189.02527	0.5
189.53221	1.0
190.03160	0.7
190.95378	2.1
190.98608	2.2
191.02324	0.6
196.01300	1.3
197.02003	1.0
199.01675	0.7
200.54538	0.5
204.03741	0.5
205.00169	0.6
205.01836	1.3
206.04308	3.1
207.01727	0.7
208.96417	1.6
208.99641	0.8
210.04530	0.5
211.01595	0.6
214.95380	1.3
217.01875	1.0
219.01749	1.5
219.03737	0.9
220.02283	1.7
220.04201	0.6
224.07919	0.6
225.04225	0.8
226.02234	1.1
231.07053	0.5
232.02271	1.2
232.96416	11.3
232.98975	0.7
232.99736	0.7
234.80273	0.5
235.03000	0.7
237.02748	1.8
238.55763	0.8
241.02745	1.5
241.04903	0.6
242.03786	0.7
247.02815	0.8
248.03583	1.0
248.11215	1.1
249.02435	0.7
250.06543	0.8
250.97498	7.7
251.00041	0.9
251.04211	1.0
254.05649	0.7
256.03357	1.0
257.04031	1.1
258.55075	0.6
264.56628	0.6
268.56665	1.3
273.55121	0.6
279.03842	0.8
281.54227	0.8
301.10910	0.5
328.03741	0.8
330.08310	0.7
332.07880	0.5
337.09445	0.5
337.55280	0.5
346.04816	7.9
346.85297	0.5
358.72797	0.5
364.05841	7.0
368.09470	1.3
368.18674	2.1
369.06049	0.7
369.10605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
57.03416	0.8
61.02892	0.4
69.03404	1.1
70.06553	0.5
70.29038	0.5
70.29433	0.7
71.01331	0.3
71.04945	0.3
72.08154	0.3
73.02883	0.6
81.03392	1.0
81.07031	0.3
84.08107	0.4
85.02892	10.9
87.04463	0.4
97.02866	1.2
99.04430	0.5
104.04945	0.3
105.03365	0.6
109.02850	0.6
110.07125	0.5
114.09139	3.0
119.04914	0.4
123.33812	0.2
127.03891	0.7
132.04427	0.9
133.02751	0.3
136.06097	0.3
147.04324	0.3
149.05960	0.8
150.05475	1.0
153.05379	0.5
153.09087	0.3
160.02870	0.3
160.04063	0.8
171.10139	0.6
174.11232	2.3
175.03838	0.3
178.04962	100.0
179.05298	3.4
180.05234	0.3
189.11171	0.3
195.06461	0.3
206.04456	70.1
207.04762	2.1
207.06357	0.3
248.05453	0.5
308.07523	0.4
332.07526	3.2
345.02365	0.3
350.08591	2.4
368.09714	62.2
368.17102	2.6
369.10028	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	368.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15736	0.3
53.03933	0.6
54.87520	0.3
55.01859	0.3
57.03422	0.7
61.02906	0.6
69.03419	2.4
69.37701	0.3
70.01409	1.5
70.06566	0.7
71.04980	0.5
72.08138	0.6
73.02898	0.5
81.03413	2.7
81.07050	0.4
83.04960	0.5
84.08112	0.3
85.02892	4.4
87.04467	0.4
89.58168	0.3
95.06060	0.4
97.02309	0.4
97.02875	5.2
99.04416	1.1
105.03327	0.4
109.02853	2.5
110.07151	5.5
114.09161	1.1
127.03918	2.5
129.40329	0.3
132.04465	0.7
138.06528	0.5
150.05522	1.4
153.09126	0.7
160.02802	0.4
160.04045	0.9
164.11845	1.5
171.10158	0.7
174.11259	0.6
175.03871	0.3
178.04968	100.0
179.05345	3.5
187.31194	0.3
189.07506	0.5
206.04462	70.0
207.04781	2.9
207.06400	0.5
209.13913	1.0
210.98901	0.3
213.12259	0.4
237.13416	1.0
302.06464	0.4
332.07593	23.8
333.08078	1.5
339.47952	0.3
342.32318	0.3
345.02435	0.5
350.08698	6.0
351.08936	0.5
368.09723	14.1
368.17126	1.0
368.22906	1.0
369.10004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.9
53.03945	5.3
55.01852	2.6
55.05305	1.8
55.05505	19.4
57.07058	8.4
59.04982	2.9
65.03925	4.8
67.05495	40.4
69.03415	7.9
69.07058	22.2
70.38689	7.3
71.04984	6.1
71.08626	2.5
79.05480	33.9
81.07045	50.3
83.04966	7.2
83.08605	8.3
85.06508	5.1
91.05467	54.7
93.07029	77.1
93.91241	1.6
95.04950	36.8
95.08590	57.2
97.06493	12.6
97.10147	2.8
98.20686	2.8
99.08042	1.7
105.07017	85.3
107.04948	2.9
107.08578	58.9
109.06526	13.2
109.10137	45.9
111.08056	6.9
115.05457	3.6
116.06197	2.6
117.07000	17.4
119.08566	100.0
121.06489	10.4
121.10126	54.6
123.08037	7.8
123.11694	15.9
128.06242	10.4
129.06999	19.9
130.07791	8.6
131.08553	54.9
132.09279	2.0
133.06453	2.0
133.10112	68.9
134.10555	2.2
135.08023	20.3
135.11670	23.6
137.09592	6.7
141.06998	5.4
142.07771	16.0
143.08542	42.6
144.09317	10.1
145.06482	3.0
145.10107	71.5
146.07237	8.1
146.10817	2.5
147.08000	11.2
147.11659	25.3
149.09593	17.2
149.13205	5.7
154.07773	2.7
155.08571	13.5
156.09303	13.4
157.10106	54.8
158.10910	9.2
159.08038	8.0
159.11674	40.0
160.08794	1.8
160.12398	3.5
161.09584	45.8
161.13235	6.6
163.11182	5.5
163.14828	2.6
165.06963	2.8
167.08568	7.7
168.09294	2.4
169.10118	16.9
170.10890	7.3
171.11661	26.3
172.12491	4.9
173.09644	6.9
173.13232	25.5
175.11191	7.9
175.14804	23.6
179.08603	7.2
180.09303	6.2
181.10023	8.5
182.10883	6.6
183.11688	24.2
184.12396	3.0
185.09651	3.4
185.13248	18.5
187.11115	2.2
187.14778	12.8
189.12683	2.5
189.16277	1.9
191.14253	2.3
193.09998	4.1
194.10892	8.6
195.11656	13.3
196.12442	4.8
197.13179	14.8
199.11140	2.2
199.14772	14.5
201.12772	5.9
201.16347	8.6
203.14273	2.6
207.11635	4.5
208.12299	2.6
209.13245	26.1
211.14735	11.1
212.15562	1.9
213.12692	5.7
213.16386	4.8
215.14294	4.9
219.11542	2.5
221.13213	3.0
222.14001	2.8
223.14742	8.5
224.15498	2.7
225.16376	5.6
227.14310	23.5
227.17798	2.5
229.15846	3.1
231.17421	2.0
235.14755	2.6
237.16362	3.3
239.17966	9.4
240.18578	1.9
241.19521	2.3
247.14993	2.2
249.16333	3.5
251.17877	4.3
253.15872	2.2
253.19569	5.0
255.17415	6.1
257.18939	4.0
261.16296	2.2
265.19418	3.8
267.17474	4.0
269.19028	7.0
271.20508	1.8
283.20761	2.2
284.21527	2.4
331.24042	2.4
349.25153	10.7
367.26300	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	367.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05499	2.3
56.63160	1.0
57.03429	1.5
57.07056	1.8
59.04983	1.1
61.02892	1.9
67.05494	3.4
69.03415	3.2
69.07060	10.7
70.06573	3.1
71.04977	18.0
71.78573	1.3
79.05481	8.5
81.03378	1.2
81.07042	58.6
83.04960	3.7
84.08130	2.2
85.02897	11.7
85.06539	1.2
86.28910	1.3
91.05462	2.4
93.07035	3.6
95.04961	2.1
95.08595	2.0
97.02888	3.6
97.06509	4.3
99.08077	3.5
101.05975	1.2
104.94240	1.0
105.07027	2.3
107.04907	1.2
107.08581	13.0
109.02849	1.8
109.06482	2.1
109.10138	14.0
111.08091	2.4
111.11730	7.2
114.10286	1.0
120.08088	1.3
121.10117	3.1
123.07985	1.2
123.11698	18.5
127.03901	1.4
127.07623	1.2
128.06956	1.1
133.10101	1.8
136.06261	1.2
136.60721	1.0
139.11145	9.9
145.04897	1.9
147.04387	3.0
147.09177	3.5
151.11160	28.1
157.12219	19.4
169.12210	27.9
187.13268	100.0
188.13683	2.0
192.99803	1.1
205.14336	5.0
206.03934	1.1
215.11873	1.5
229.09691	2.2
243.11273	2.1
271.10651	7.0
277.16614	1.3
281.14981	5.7
287.10483	2.0
299.10162	2.2
309.13068	1.3
317.11209	3.3
323.11322	2.1
335.12323	3.6
367.13736	2.0
367.18347	2.4
367.69003	2.3
368.09210	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05502	1.5
57.03425	7.1
67.05480	2.5
69.03416	2.3
70.06584	1.2
71.04990	1.3
71.08622	50.2
71.79663	1.5
72.08135	1.4
72.08923	1.0
73.02917	3.5
75.04477	2.3
76.03997	2.0
79.05495	2.3
81.03403	1.5
81.07066	1.9
83.04984	1.6
85.02898	8.8
86.09708	1.6
89.06029	1.7
91.05468	2.0
93.07029	2.0
95.01318	7.8
95.04953	1.3
95.08603	2.2
97.02902	2.0
99.08080	60.7
100.08410	1.4
105.07008	1.5
107.08600	1.8
109.02898	1.4
109.10123	1.8
111.04461	1.1
113.02353	2.3
114.09132	2.0
116.00339	1.0
117.09138	6.7
119.08557	1.4
120.08104	6.9
121.06487	1.1
123.04385	1.1
128.06096	0.9
129.06992	1.3
130.06511	1.2
131.03423	1.9
131.04924	1.6
133.02852	4.0
133.10120	1.3
137.05981	2.9
139.07478	0.9
141.01807	13.3
145.10143	1.8
149.05931	1.8
158.45265	1.0
159.08006	1.3
159.11711	1.3
163.03754	1.0
166.08687	1.6
167.07074	1.3
173.11708	100.0
174.12082	2.8
175.07549	1.5
176.09207	1.3
178.04947	1.4
185.41068	1.0
187.07494	1.5
191.12769	19.8
205.08572	1.9
213.09048	1.2
237.12343	1.8
307.13983	1.4
349.14819	3.7
366.77838	1.1
367.08148	3.1
367.11841	1.3
367.15787	6.4
367.22565	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44777	0.7
53.03938	1.2
55.01866	1.3
55.05504	4.7
56.05030	7.0
57.03426	1.2
57.07062	0.9
59.04950	0.8
59.41079	0.8
61.02915	2.8
65.58603	0.7
66.83238	0.9
67.05498	8.3
68.05021	4.1
69.03410	5.1
69.07056	1.9
70.06579	5.5
71.04974	2.2
71.16081	0.7
71.78568	0.8
71.78970	1.0
72.08134	2.3
73.02902	1.9
79.05474	2.5
81.03400	3.6
81.07047	16.4
82.06583	1.9
83.04976	1.7
84.04487	2.1
84.08133	5.1
85.02894	16.1
86.06057	8.4
86.09702	2.7
87.04450	1.0
88.03963	0.7
91.05460	1.7
95.04951	2.6
95.06052	1.1
95.08599	2.0
96.08121	1.0
97.02885	5.5
99.04426	1.2
100.07604	2.1
103.03903	0.8
103.05444	1.9
105.06993	1.9
107.04935	2.0
107.08569	1.5
109.02874	3.2
109.06522	1.2
109.10128	1.7
110.07182	3.2
113.06025	0.8
113.99318	0.9
114.05513	9.7
114.09158	11.5
114.09966	1.1
114.10237	0.8
115.08676	1.3
116.07124	1.0
118.06568	1.0
120.08095	5.6
123.07994	1.4
123.11694	3.5
127.03912	3.1
128.07079	1.3
130.06520	2.6
131.04912	1.1
136.06224	1.2
136.07587	1.7
137.05980	1.3
138.05463	1.0
140.07079	1.1
140.14323	12.9
144.08089	1.7
145.04974	1.4
146.06015	1.4
147.04433	2.2
149.05954	1.1
151.07549	1.4
151.11160	1.5
156.07913	1.4
156.10146	1.9
158.06279	1.9
158.15385	100.0
159.09152	2.4
159.15773	1.5
160.07529	1.1
163.03880	1.7
167.07069	2.4
169.08665	1.4
169.12173	1.8
170.06056	1.7
173.05936	1.1
174.11253	2.2
174.12759	1.5
186.05737	1.0
186.14912	1.8
187.09688	2.0
192.13805	2.0
193.08560	1.1
200.16547	1.7
204.06825	1.9
204.15927	97.1
205.16289	2.6
230.08167	1.1
251.15088	1.1
263.08588	1.7
322.16394	4.1
348.20142	1.2
350.12479	1.3
366.11682	3.7
366.15680	1.2
366.21225	3.6
367.10193	2.6
367.14774	1.4
367.18945	2.7
369.25021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.8
53.03935	1.2
55.05491	1.3
57.03426	1.1
57.07068	1.6
60.04520	8.1
67.05487	3.0
69.03405	2.9
69.07055	2.7
70.06570	3.4
71.04987	11.0
71.78957	0.9
71.79366	1.5
72.08116	1.3
79.05486	14.5
81.03397	1.0
81.07047	91.6
82.07359	1.1
83.04970	6.6
83.08625	1.1
84.04484	1.5
84.08148	0.8
85.02891	6.2
85.06509	1.5
86.06052	0.8
86.09692	1.5
89.06001	1.1
91.05476	6.2
93.07036	3.4
95.04948	3.2
95.08595	4.1
96.04559	0.8
96.08097	0.9
97.02871	1.9
97.06525	1.3
99.04443	1.5
105.07042	1.5
107.04934	1.0
107.08589	3.4
109.02856	1.0
109.06518	1.8
109.10130	5.9
110.07116	1.0
113.05988	1.2
114.09147	2.6
119.04954	7.8
119.08593	1.0
120.08092	0.9
121.06470	0.8
121.10128	0.8
123.11697	8.1
124.07593	1.3
125.09621	0.9
127.03881	1.8
127.11203	1.0
130.06511	3.0
133.10129	2.1
135.04393	1.0
136.07578	1.8
137.05971	1.1
139.03886	0.7
139.11127	1.0
142.64992	0.8
145.04929	0.9
147.04387	7.4
147.09116	1.1
151.11162	11.5
160.09663	4.1
163.03932	1.2
167.07004	2.3
169.12225	100.0
170.12599	2.3
173.12837	0.9
175.03874	10.9
177.05376	1.4
181.06480	0.7
187.13290	4.8
188.07085	0.9
193.04915	3.1
207.06519	20.6
276.62363	1.4
279.10385	1.0
281.14896	1.3
294.24115	1.0
307.09668	1.1
312.25238	1.0
321.11057	1.0
325.10583	1.2
330.26389	1.5
334.13004	1.1
348.27237	3.9
349.10791	1.2
366.15118	2.5
366.19302	1.4
366.28336	6.0
367.11743	2.0
384.38092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01864	1.1
55.05497	2.5
55.59504	0.7
57.03426	1.5
57.07074	0.9
57.35126	0.6
58.23384	0.6
59.04982	2.2
60.04230	0.9
60.04520	16.3
61.02879	1.0
63.06350	0.7
67.05496	12.4
68.05013	1.5
69.03416	2.5
69.07064	3.8
70.06584	1.5
70.22396	0.8
70.22704	3.4
70.49947	0.6
71.04986	24.5
72.08090	0.8
79.05487	5.1
81.03387	1.7
81.07046	14.8
82.06589	0.7
83.04973	1.5
83.08601	1.8
85.02900	8.5
85.06535	36.4
86.09686	2.1
87.04459	1.8
89.06110	0.6
91.05466	12.6
93.07033	12.4
95.04972	1.6
95.08568	3.2
97.02882	2.1
97.06505	2.2
99.08063	0.6
105.07025	11.6
107.08584	12.7
109.02870	1.7
109.06499	2.1
109.10148	19.3
110.07151	0.7
110.09724	0.8
111.08062	7.3
113.06012	0.8
114.09151	1.4
119.08504	0.8
120.08094	1.6
121.10143	2.0
123.08040	0.9
123.11662	5.6
125.09663	0.9
127.03890	2.3
127.07588	0.7
131.08478	1.1
133.10114	37.9
134.10458	1.3
135.11639	1.0
139.11127	1.2
140.07054	2.9
144.06543	13.4
145.04921	1.5
149.05922	0.8
151.11169	33.9
158.08110	4.2
169.12231	38.3
170.12592	0.8
180.39543	0.7
187.13278	100.0
188.13628	1.9
192.99512	1.0
204.08675	2.4
204.42078	0.7
276.23239	0.8
312.25229	1.2
330.11627	1.1
330.26334	1.6
348.12753	2.1
348.27414	2.4
366.13837	6.1
366.28479	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	366.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21031	3.1
98.97578	1.0
116.98616	1.2
119.01901	5.3
120.18878	0.5
134.99658	0.8
137.02946	2.9
177.00929	17.1
182.99879	0.8
192.42480	0.5
200.02275	0.5
201.00938	0.9
217.04057	2.4
219.01978	28.5
222.97939	1.0
225.00989	1.6
229.22655	0.6
234.99947	8.5
236.00020	1.4
240.98912	1.4
243.01961	4.7
253.01053	3.5
258.01794	0.9
258.97272	1.2
258.99973	18.6
260.00082	3.3
261.03036	90.1
262.03268	0.9
264.99063	2.5
265.99158	0.6
277.01010	27.9
278.01080	4.9
279.01038	0.9
282.99957	42.4
284.00082	8.0
284.04626	4.0
291.99744	0.9
300.02487	0.9
301.01013	100.0
302.01160	18.5
303.01035	1.8
304.01242	0.7
319.02127	7.5
320.02069	1.7
324.02509	3.4
325.00891	8.8
326.01132	1.7
340.48260	0.6
343.02069	49.1
344.02191	10.3
361.03149	18.8
361.28098	0.6
362.03253	3.4
366.03729	2.8
367.02615	1.1
372.51813	0.8
373.01718	1.4
385.03119	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	366.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
55.12787	0.7
56.05011	0.6
56.96334	0.5
56.96560	5.8
57.03417	2.0
57.07048	0.8
59.04982	0.9
61.02901	1.5
65.11079	0.6
67.05504	0.8
68.05013	0.9
69.03419	6.5
69.07060	1.0
70.02931	0.7
70.06577	4.2
70.19015	2.1
70.19435	1.1
71.04976	1.4
71.06116	4.7
72.04500	1.7
72.08144	1.3
73.02912	3.0
74.00656	5.4
76.02218	5.1
77.00630	3.6
79.05457	1.0
81.03421	2.8
81.03804	0.5
83.04958	0.9
84.04482	2.2
84.08118	1.8
84.96004	0.9
85.02895	11.6
85.06515	0.9
86.06056	26.1
86.09705	1.2
87.04447	5.5
88.03506	0.6
88.03963	3.4
91.03934	1.2
91.05454	1.0
95.04951	1.3
97.02877	5.4
97.06524	1.0
98.06036	4.4
98.97568	9.1
99.04428	1.3
99.05575	1.0
102.03756	20.3
104.07098	0.7
105.28815	0.6
107.04951	1.3
109.02856	2.6
110.07142	1.3
110.97561	1.6
111.05524	1.4
112.07587	1.9
113.05965	1.8
114.05482	0.8
114.09130	2.3
115.03939	0.6
115.08681	5.9
116.98607	6.1
118.03226	18.8
120.01148	62.1
120.08096	1.0
121.01456	1.2
122.07115	0.6
124.07540	1.1
125.07085	0.6
126.05497	0.7
127.03894	4.4
127.08704	1.2
127.25950	0.6
128.05283	1.3
128.08200	1.4
128.98576	3.4
129.06558	0.8
130.03204	8.3
130.04890	0.9
130.08646	3.3
131.00172	1.1
131.07045	0.5
132.04778	0.7
132.95836	0.8
134.99658	2.7
135.04404	0.8
136.06151	0.7
136.07556	0.7
137.05946	1.4
140.00092	0.7
140.07013	2.4
140.21831	0.5
141.06599	0.9
142.08644	4.8
143.00127	0.8
144.04750	3.5
144.95874	0.9
145.04967	1.8
146.05972	1.1
146.09219	2.3
146.99661	3.2
147.05847	42.7
148.04251	12.4
149.01208	0.7
149.07405	1.0
155.08113	0.7
156.04741	3.9
157.04306	0.7
158.97408	1.1
158.99585	2.8
161.01192	0.6
162.02153	0.7
162.96957	0.8
163.00491	1.2
163.03908	2.2
165.00687	0.8
165.06876	5.4
167.07056	1.6
168.03525	0.7
168.95847	1.1
170.99625	1.0
173.03825	0.7
173.07416	11.3
174.04375	1.4
175.02811	0.6
176.98422	0.9
177.00685	3.2
184.09691	3.7
186.04431	0.6
186.96910	0.9
188.07062	1.6
189.00626	1.4
191.04836	1.7
193.01753	0.7
201.00684	0.8
203.81059	0.5
204.03305	0.9
204.05415	1.2
204.08643	0.6
205.01656	0.9
207.07883	2.0
211.02861	0.7
217.01611	1.0
219.01785	2.7
219.07957	4.1
224.13924	0.8
227.06827	1.1
234.98862	2.9
236.10606	100.0
237.02829	4.9
237.10841	3.8
241.06549	1.1
242.00919	0.7
246.08952	1.2
257.03348	1.1
259.11069	1.2
262.01154	1.1
272.16089	0.6
275.04337	0.8
290.13495	0.9
303.07465	1.0
305.09497	0.6
307.04739	8.3
309.08603	1.3
321.08459	1.3
348.15839	27.9
349.16043	2.1
366.06165	1.2
366.18719	18.5
367.19427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
54.26894	0.8
55.01866	7.1
55.05505	25.2
57.03429	8.7
57.07056	1.0
65.03918	1.5
67.05495	33.0
69.03413	12.7
69.07057	39.3
71.04978	2.0
74.35283	0.9
79.05480	28.2
81.03419	5.6
81.07039	25.0
83.04961	5.1
83.08607	9.5
83.18412	0.9
85.06543	1.9
91.05463	15.0
93.07028	20.9
94.04145	1.1
95.04956	10.7
95.08601	14.0
97.02882	14.4
97.06519	3.5
97.10159	16.1
105.07011	13.3
107.04938	6.2
107.08575	17.8
109.06486	3.6
109.10148	11.7
111.04416	1.2
111.08057	2.3
115.05421	1.2
116.95321	0.8
117.06989	6.5
119.08559	13.5
121.06487	3.1
121.10154	7.0
123.04395	1.2
123.08039	4.4
123.11701	1.4
125.09605	15.0
128.06232	1.0
129.07005	3.0
131.08566	8.9
133.06499	1.7
133.10126	9.3
134.98813	0.9
135.08025	6.4
135.11673	2.6
137.09583	4.7
137.10515	0.9
143.08528	3.6
145.10133	7.7
147.08035	6.0
147.11667	4.0
149.09581	1.9
149.13242	2.6
151.11206	1.1
153.09161	2.1
157.10115	3.9
159.07968	1.3
159.11644	5.0
161.09589	2.7
161.13226	2.8
163.11134	1.6
165.09122	1.9
171.11664	3.3
173.09621	1.3
173.13266	2.7
175.11177	2.7
177.12744	2.3
181.10201	1.6
183.11674	1.4
185.13182	1.7
187.14763	1.3
189.11191	7.7
193.12196	1.5
195.11595	1.2
195.13791	2.2
199.14664	1.2
205.12274	2.5
223.13234	30.5
223.15242	2.0
227.12727	1.6
227.17957	1.4
245.19014	2.1
249.14804	1.3
255.17224	1.4
263.20023	1.4
273.18405	12.5
291.19498	100.0
292.19910	3.2
347.12976	1.6
347.22409	1.5
347.27063	1.6
365.23227	56.2
365.28268	6.8
365.32248	2.4
366.23380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01868	7.5
55.05507	32.3
57.03433	13.0
62.86571	1.1
67.05495	32.2
69.03420	10.1
69.07062	40.5
71.04976	3.4
71.79067	1.8
79.05480	29.8
81.03391	8.1
81.07044	21.0
83.04958	4.9
83.08622	9.9
85.02869	1.6
85.06525	1.5
87.32422	1.3
91.05466	15.9
93.07037	21.1
95.04961	7.8
95.08596	13.7
97.02882	16.1
97.06506	5.7
97.10160	15.4
99.08125	1.1
101.40329	1.2
105.07032	13.2
105.52808	1.2
107.04922	7.6
107.08575	14.8
109.06508	4.3
109.10140	12.0
111.08081	1.5
117.07013	8.2
119.08576	15.9
121.06478	2.9
121.10136	8.1
122.16019	1.3
123.08070	5.6
123.11679	1.9
125.09617	13.4
129.06999	3.4
131.08575	8.7
133.10098	7.0
135.08023	6.2
135.11713	3.6
137.09589	4.5
143.08543	3.5
145.10106	7.3
147.08000	6.6
147.11642	3.2
149.09587	2.3
149.13216	3.1
151.11143	1.9
153.09061	2.1
157.10161	3.3
159.11697	4.8
161.09608	4.4
163.11166	2.7
165.09132	3.4
171.10190	2.2
171.11609	2.6
173.13237	2.1
175.11177	2.4
177.12703	2.3
183.11697	1.4
184.91638	1.2
185.13228	2.2
187.11186	1.5
187.14731	1.3
189.11230	8.4
195.13905	1.4
205.12221	4.1
211.14751	1.4
223.13246	33.3
223.15276	2.3
225.16183	1.2
227.12852	1.4
255.17456	2.3
263.20221	1.4
273.18460	13.9
291.19504	100.0
292.19751	2.8
336.12048	1.4
347.22293	2.5
365.23227	61.4
365.28299	5.7
366.23807	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.01869	6.3
55.05308	0.7
55.05507	8.0
57.03429	43.9
57.07053	3.1
65.03918	3.2
67.05495	39.9
69.03411	3.4
69.07061	10.6
70.06605	1.1
71.04984	7.7
79.05482	23.0
79.90586	0.8
81.03390	2.4
81.06596	1.4
81.07043	22.9
83.04971	4.1
83.08613	4.5
84.04501	1.1
85.02881	1.1
85.06531	35.1
91.05466	20.7
93.06494	1.8
93.07032	21.5
95.04954	59.3
95.08585	13.7
97.02869	2.0
97.06516	5.1
97.10136	1.8
99.04440	1.7
103.05462	2.9
105.07012	13.4
105.20371	0.9
107.04940	9.1
107.07893	1.3
107.08582	16.0
109.06501	46.5
109.10130	4.9
111.04402	0.9
111.08059	1.1
111.40192	1.0
113.05989	100.0
113.09599	1.5
115.05416	1.3
116.98542	0.8
117.07008	9.3
119.08559	12.2
121.06476	4.2
121.10103	8.8
123.04380	0.9
123.08050	4.3
125.09576	1.4
128.06171	2.2
129.06949	6.1
131.04865	1.4
131.08565	12.7
133.06456	3.0
133.10100	8.0
135.08043	29.4
135.11646	6.9
137.05984	1.3
137.09598	1.8
138.05521	1.2
141.06999	1.6
142.07753	1.2
143.08569	6.2
145.06410	1.0
145.10097	11.0
147.08031	4.3
147.11636	2.9
149.09590	5.8
149.13239	3.8
154.14635	0.8
155.08539	1.5
157.10117	5.7
159.08067	2.5
159.11679	5.8
161.09601	7.7
161.13237	3.3
163.07439	1.1
163.11151	3.5
165.09091	1.1
169.10062	2.2
171.11661	4.3
172.38959	0.9
173.09563	1.3
173.13206	4.7
175.11101	2.1
175.14774	1.7
177.12711	3.7
181.10036	1.4
183.11632	3.3
185.13194	3.4
187.11197	1.9
187.14816	1.2
189.11200	1.0
189.12752	2.1
189.16360	1.4
191.10493	0.8
195.11635	1.9
195.13753	1.4
197.13275	1.0
199.11124	1.9
199.14806	3.6
201.12759	2.2
201.16370	1.0
203.14310	1.1
208.12671	0.9
217.15845	12.6
219.13789	2.0
223.13164	1.2
227.17848	1.3
233.15396	1.9
241.12079	0.9
243.04863	0.9
245.18993	2.9
255.17264	2.9
263.05722	0.9
273.18439	24.2
291.19513	47.6
292.19775	1.1
307.18893	1.2
311.37363	0.8
333.13190	1.3
347.22067	3.2
347.26563	1.0
365.23175	22.7
365.28247	4.6
365.31830	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.2
55.01807	5.3
55.05446	22.1
57.03372	9.3
57.07027	1.1
59.04962	1.1
65.03902	1.3
65.93803	0.7
67.05494	26.3
68.33263	0.7
69.03417	9.5
69.07054	38.8
71.04973	8.5
71.79905	1.4
77.03857	0.8
79.05480	23.2
81.03402	3.8
81.07040	22.7
81.07489	0.8
81.16374	0.7
83.04963	4.6
83.08598	8.0
85.02855	1.4
85.06502	1.2
85.99364	0.7
91.05458	19.0
93.07021	16.6
95.04959	8.5
95.08584	12.9
97.02876	15.7
97.06496	4.6
97.10156	14.7
99.04401	1.0
103.05391	2.2
105.07008	11.8
107.04929	7.0
107.08578	14.5
109.02791	0.8
109.06435	3.4
109.10137	9.8
111.04362	1.1
111.07996	2.7
113.09570	3.1
115.05405	0.7
117.07001	7.6
119.04929	15.3
119.08548	12.5
121.06418	2.9
121.10107	7.1
123.08078	3.8
123.11629	1.5
125.09615	13.0
128.46913	0.8
129.05444	0.8
129.07005	4.0
131.04840	1.9
131.08548	7.2
133.06400	2.3
133.10109	6.0
135.08031	5.0
135.11655	3.7
137.09541	3.4
143.08466	2.8
145.10109	6.2
147.04381	48.9
147.07999	5.2
147.11615	2.9
148.04707	1.8
149.09535	2.2
149.13164	2.9
151.11127	0.8
153.09026	2.0
155.08440	1.0
157.10115	3.9
159.07892	0.8
159.11595	4.3
161.09566	2.6
161.13190	1.5
163.11113	2.0
165.09128	3.6
167.06912	1.0
169.10097	0.9
171.11589	2.7
173.11690	1.2
173.13152	1.1
175.11098	2.4
177.12650	2.5
183.11549	0.9
185.13266	1.4
187.14659	1.0
189.11182	6.7
195.11859	0.9
195.13747	2.4
197.13153	0.8
201.09000	1.8
205.12128	3.0
217.15875	1.0
223.11018	1.4
223.13222	26.7
227.12640	1.7
227.17827	1.0
245.18941	2.7
249.14644	1.3
255.17371	1.1
263.20084	1.1
273.18417	14.2
285.10129	0.9
291.19492	100.0
292.19879	3.2
347.21976	2.5
365.23209	60.6
365.28253	5.7
366.23709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01861	7.6
55.05503	10.8
56.96575	1.2
57.03431	49.1
57.07062	5.2
59.00475	1.3
63.69195	1.2
65.03931	3.1
67.05499	49.3
69.03423	5.5
69.07056	12.1
69.86953	1.2
71.04986	9.2
79.05481	24.1
81.03413	3.8
81.07046	26.5
83.04978	5.3
83.08607	5.1
84.04476	1.3
84.08103	2.1
85.02902	2.0
85.06024	2.1
85.06537	41.3
91.05473	20.2
92.81864	1.2
93.06492	2.3
93.07034	22.7
95.04959	59.9
95.08599	18.9
97.02898	2.7
97.06541	6.6
97.10165	2.9
98.20629	2.5
103.05454	2.1
105.07018	21.9
105.31277	1.3
107.04951	9.9
107.08584	16.7
109.06510	50.3
109.10149	8.7
111.04422	1.4
111.08039	2.3
113.05994	100.0
113.09650	2.3
115.05433	1.9
116.06253	1.7
117.07025	10.1
119.08576	15.0
121.06509	4.4
121.10146	9.5
123.08070	5.8
123.11691	3.3
125.09627	3.0
127.03933	1.4
128.06215	2.7
129.07005	5.6
131.04889	1.4
131.08557	19.3
133.06432	3.6
133.10117	10.7
135.08038	36.1
135.11682	8.3
137.09607	2.9
141.06978	2.1
142.07747	1.6
143.08553	10.9
145.06468	1.7
145.10126	13.8
147.04492	1.3
147.08044	5.8
147.11678	5.8
149.05998	1.9
149.09639	5.9
149.13240	2.4
155.08473	2.0
157.10143	9.7
159.07997	2.3
159.11699	9.6
161.09637	9.2
161.13249	2.5
163.07544	1.5
163.11229	3.2
165.09137	1.4
169.10065	2.7
171.11720	5.4
173.09683	1.9
173.13248	5.3
175.11185	4.4
177.12825	3.9
181.10052	1.4
183.11699	3.3
185.09607	1.8
185.13255	4.4
187.14816	2.9
189.12709	2.6
192.43048	1.3
195.11737	2.4
196.37729	1.2
197.13260	2.1
199.11209	2.2
199.14819	5.4
201.12723	3.4
203.14346	1.6
209.13322	1.5
211.14665	1.8
213.12726	1.3
217.15846	13.6
219.13838	2.1
223.13197	2.0
225.16447	2.2
227.17883	1.6
233.15329	3.6
237.16409	2.7
245.19055	1.9
255.17371	3.0
273.18439	27.5
291.19516	50.3
292.19870	1.8
333.13361	3.4
347.65915	1.4
365.23233	30.4
365.28311	7.9
365.31824	5.4
366.23318	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	364.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01845	1.1
55.05501	2.2
57.03410	1.7
57.07045	1.2
60.04522	1.4
61.02908	3.7
67.05492	4.1
69.03416	7.3
69.07059	7.8
69.59025	8.5
70.06577	1.3
71.04980	2.3
79.05479	4.4
81.03395	3.7
81.07040	11.9
83.08599	1.6
84.08121	0.9
85.02898	22.8
85.06516	2.0
86.09663	1.1
91.03922	1.8
91.05484	4.3
93.07030	20.7
95.04945	2.0
95.08599	8.6
97.02875	7.5
99.04435	1.5
102.32097	0.8
105.07004	2.3
107.07890	1.6
107.08578	20.1
109.02854	2.4
109.06554	0.8
109.10123	3.3
109.77837	1.1
111.08073	1.2
114.09137	1.5
119.04891	1.1
119.08562	2.4
121.10126	19.4
123.11692	29.6
127.03902	5.0
133.10059	0.9
136.06177	2.5
145.04919	6.6
147.04393	2.8
147.11647	1.0
148.07515	1.1
149.13237	100.0
150.13600	2.4
151.14836	1.5
160.07533	1.0
160.09683	1.2
163.06044	1.0
167.06958	0.9
167.14297	35.9
168.14642	1.2
176.07098	4.0
176.10643	6.8
203.06999	0.8
204.10245	1.8
205.10922	4.2
212.12418	0.8
235.39163	1.0
302.17453	21.4
346.20071	3.3
364.21185	10.3
364.25128	0.8
365.13907	2.5
365.66406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92178	0.4
63.23553	0.4
70.47751	1.0
70.48146	1.0
70.86121	0.4
80.62130	0.6
119.01923	0.9
131.01863	0.7
143.01912	0.6
161.02962	1.2
173.02998	1.1
185.02882	0.6
185.04208	17.3
197.02937	0.7
203.05240	39.4
204.05753	0.9
211.24867	0.6
245.05029	2.9
263.06284	0.6
282.23291	0.5
365.10577	100.0
366.10800	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	365.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21547	0.5
51.74014	0.4
55.01859	1.0
55.05494	1.3
57.03429	8.6
67.05499	0.8
69.03410	1.8
69.07057	58.3
69.91960	2.8
70.07379	1.3
71.01330	4.6
73.02905	4.1
73.06541	7.8
75.04471	8.0
77.13858	0.4
81.46033	0.5
82.84624	0.5
83.01350	0.8
85.02369	0.8
85.02890	15.7
93.05502	2.4
95.01320	6.1
97.02876	2.7
97.06517	15.3
98.20767	0.8
99.00798	1.4
99.04436	1.6
101.02351	1.3
103.03938	2.1
107.05021	0.5
113.02347	6.3
115.07549	100.0
116.07887	1.6
117.01829	0.5
117.05441	1.5
123.00726	0.5
127.01372	0.5
129.05449	0.6
131.03392	3.9
141.01804	19.1
143.03349	1.0
145.04942	1.0
147.11037	0.4
153.74606	0.5
159.02888	4.0
167.07034	1.7
168.07376	2.6
169.04854	0.5
171.10159	2.9
177.03975	0.6
187.05968	2.2
189.11197	5.0
205.07127	0.5
215.05461	8.9
233.06508	6.5
245.24521	0.5
251.07643	0.7
251.94167	0.4
304.43814	0.5
365.14133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24640	0.7
55.01857	3.5
55.05489	1.9
57.03423	1.5
57.07051	1.9
59.04959	1.8
60.04512	4.7
61.02915	1.3
65.03922	0.9
67.05500	6.2
69.03396	2.5
69.07044	1.6
70.06565	3.3
71.46017	1.6
72.08127	2.1
73.02901	2.1
74.06068	1.0
79.05477	10.1
81.03405	2.6
81.07040	28.9
83.04971	1.1
84.08131	1.8
85.02874	6.5
86.09692	1.5
87.04443	0.9
90.05536	0.8
91.05463	8.5
93.07026	29.8
94.07300	0.8
95.04961	2.3
95.08590	13.5
97.02856	2.0
97.06511	4.5
100.03963	1.0
103.05428	1.2
105.07012	6.8
107.04921	2.4
107.08577	6.8
108.04470	0.9
109.02843	1.8
109.06496	2.6
111.04430	1.7
111.08067	2.4
114.09087	0.9
116.07053	1.0
119.04931	1.1
119.08587	1.9
120.08086	1.5
121.06499	2.7
121.10123	100.0
122.06056	0.8
122.10464	1.7
123.08083	3.5
123.11691	31.1
124.07576	1.3
125.05963	7.1
125.07099	2.0
125.09595	0.8
126.07496	0.8
127.03907	1.5
131.08559	4.2
133.06419	1.1
133.10107	0.8
136.06163	18.4
137.05902	0.8
139.11162	13.6
145.04926	1.3
149.09579	14.2
161.05908	0.9
161.09622	1.1
167.07033	1.2
167.10655	45.8
168.11032	0.8
171.10115	1.5
174.04016	1.2
181.51668	0.8
185.11710	7.4
202.10721	0.9
203.08278	1.0
209.85161	0.7
214.51215	0.8
228.05064	1.3
246.06055	1.2
264.74609	0.7
302.17535	3.9
320.18835	0.9
346.19995	1.0
346.25845	1.3
364.15494	1.6
364.20074	8.2
364.26971	2.1
365.12473	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01857	1.2
55.05500	1.6
57.07052	0.9
59.04978	1.7
60.04519	1.5
61.02907	0.7
64.76150	0.7
65.57809	0.7
66.32726	0.6
67.05508	3.8
67.64864	0.6
69.03403	3.3
69.63660	3.2
69.64080	4.0
70.06567	1.4
72.08149	1.4
73.02908	1.8
76.25066	0.7
79.05480	9.1
81.03401	2.4
81.07043	26.6
81.07529	1.3
81.14084	0.7
85.02892	5.2
86.09660	0.7
90.05546	1.2
91.05441	4.4
93.07032	28.4
95.04949	1.1
95.08600	12.0
97.02860	1.5
97.06522	2.8
98.93468	0.8
105.07027	6.0
107.08569	5.7
109.06513	3.7
111.04429	1.0
111.08062	2.1
113.45542	0.8
121.06524	2.2
121.10128	100.0
122.10462	2.9
123.08059	1.8
123.11688	29.9
125.05984	5.4
127.03886	0.9
131.08595	4.0
133.07603	1.0
136.06158	9.5
139.11171	11.9
145.04996	1.1
147.04335	1.1
149.09583	12.9
167.10658	44.2
168.11066	1.6
184.09708	0.9
185.11705	7.7
196.08479	0.9
202.10634	1.6
214.09290	1.2
220.11861	0.9
242.08784	0.8
302.17505	2.0
346.19501	0.9
364.19833	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	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.5
57.03422	0.5
61.02893	0.4
66.91635	0.4
69.03408	0.9
69.07056	1.0
71.04977	0.6
71.47651	0.5
73.02875	0.5
78.04711	1.6
79.05470	0.4
81.03391	0.5
81.07024	0.4
84.17620	0.3
85.02892	3.4
90.58051	0.3
97.02869	0.9
97.06517	0.4
106.04139	1.0
109.02885	0.6
115.07549	0.9
123.04418	3.9
124.05215	1.6
127.03894	0.5
132.53246	0.3
140.04660	0.8
141.01834	0.5
145.04886	0.4
147.04353	0.5
151.03876	0.9
152.04601	1.6
155.06990	1.1
167.07014	100.0
168.07303	2.4
170.05769	0.6
172.01515	0.3
180.08693	1.0
185.08047	0.6
327.49057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.2
53.03919	0.3
55.01868	0.3
55.05520	0.2
55.78076	0.2
57.03423	0.2
59.37362	0.2
69.03417	0.5
70.06572	0.3
70.39487	0.8
71.23611	0.2
72.04496	0.4
72.08106	0.3
73.02912	0.4
78.04703	1.6
79.05481	0.6
81.03410	0.4
85.02882	0.5
86.09721	0.2
90.05536	0.6
95.04974	0.3
97.02888	0.4
97.06487	0.2
98.02402	0.3
98.21369	0.3
99.04423	0.4
106.04143	1.3
107.04952	0.4
107.23685	0.3
109.02869	0.6
116.03413	0.3
117.05444	0.2
123.04421	4.2
124.05215	1.4
124.07616	0.4
125.02382	0.3
127.03910	0.5
134.03580	0.2
135.04384	0.3
137.05972	0.3
142.08588	0.2
147.04402	0.2
151.03868	0.7
152.04616	1.2
157.82985	0.2
159.45967	0.2
167.07025	100.0
168.07361	2.4
184.09723	0.5
199.06088	0.3
202.10670	1.4
220.11693	0.5
234.09587	0.4
328.13593	0.5
364.16510	0.5
365.08145	0.5
387.25934	0.2
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
51.04320	2.5
53.81313	2.2
54.25698	2.7
55.05511	15.1
57.07063	11.2
67.05486	21.3
69.03412	4.4
69.07060	46.8
70.06561	3.4
71.04973	6.9
71.08624	7.4
71.19560	7.2
78.33778	2.4
79.05467	17.1
80.49177	2.4
81.03403	4.9
81.07045	100.0
82.57543	2.4
83.04965	4.0
83.08610	18.6
85.06535	9.6
85.10130	3.1
87.63836	2.3
91.05460	7.5
93.07033	31.8
95.04951	6.8
95.08592	62.7
97.06509	13.8
97.10144	7.4
99.08082	7.6
105.07002	18.0
107.08578	34.4
109.06471	5.9
109.10134	36.7
111.08072	14.2
111.11693	10.1
119.08584	10.1
120.08141	3.0
121.06482	6.9
121.10114	20.3
123.08085	3.2
123.11684	37.5
125.09599	3.2
133.10144	6.9
135.11662	18.4
137.05949	5.8
137.13228	30.7
139.11169	3.2
145.10060	3.9
147.06746	3.0
147.11656	9.2
149.13205	17.9
151.14775	3.7
153.12764	19.7
155.14302	6.7
159.11639	3.0
161.06041	2.7
161.13258	6.7
163.14824	10.8
165.12726	15.6
167.07054	7.4
167.14374	5.1
171.13815	3.1
173.13374	3.6
176.07042	5.0
176.10698	6.1
177.05345	2.7
177.16371	7.1
181.08575	3.6
183.13795	3.3
191.17870	4.5
197.08147	3.7
201.12869	3.6
203.17992	3.1
204.10313	3.4
205.10968	5.0
205.19589	4.2
244.56114	2.6
261.25830	2.9
273.25720	10.5
279.26743	6.7
291.26846	30.2
297.27988	3.9
302.17514	37.3
309.27829	15.1
311.13687	2.7
327.29025	8.7
333.13358	3.5
346.20117	5.9
363.25970	3.5
364.21133	15.6
380.59482	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	363.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08884	0.2
59.34154	0.2
62.19421	0.2
67.30322	0.2
70.94724	0.5
91.05470	0.7
93.07081	0.2
95.08585	0.4
98.21494	0.2
109.02834	0.2
115.05437	0.9
117.05707	0.3
117.07002	1.6
118.06522	28.1
118.22395	0.2
119.06885	0.3
119.08561	0.2
130.06540	0.6
132.08055	2.0
133.08876	1.3
134.09599	0.6
140.35577	0.2
142.06497	1.7
143.07294	2.3
144.04448	0.5
144.08066	11.8
145.06476	0.4
145.08382	0.3
146.05986	45.2
146.09619	1.9
147.06339	1.2
147.10463	0.3
160.07585	0.7
160.11145	0.2
167.07091	0.3
170.05991	3.8
176.14317	100.0
177.14682	3.9
188.07039	29.1
189.07362	1.0
202.45726	0.2
216.13860	1.1
234.14868	1.8
334.29221	0.2
363.20609	32.3
364.20923	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	363.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.0
57.07080	4.7
59.99364	0.9
66.92155	1.1
67.05480	4.4
68.44866	0.8
69.07062	6.2
71.08612	3.6
71.80134	1.4
79.05474	2.4
81.07037	11.0
83.08583	3.4
85.06513	1.8
89.06006	4.1
89.44095	0.9
91.05466	2.8
93.07034	5.0
95.04962	1.5
95.08591	8.0
97.06520	1.6
97.10117	1.1
99.08078	1.3
105.07011	2.8
107.08580	3.6
109.06499	13.0
109.10136	4.2
111.08087	2.4
115.73004	0.9
119.08549	2.8
121.10115	4.0
122.07298	1.3
123.08047	39.1
123.11684	2.9
124.08404	1.0
131.08446	1.2
132.61331	0.9
133.08539	1.0
133.10088	3.3
135.08035	3.4
137.09595	2.3
139.37035	0.9
147.11707	2.4
149.09558	1.1
149.13234	1.9
151.09671	1.4
161.13269	2.0
168.46240	1.0
173.13245	1.4
179.14281	61.9
180.14655	2.8
193.15846	2.2
195.12268	2.9
234.67676	1.0
307.15561	1.0
307.22800	3.2
331.26373	2.7
363.28888	100.0
364.29309	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	363.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55595	0.5
55.05499	3.4
57.07060	4.3
59.04959	0.6
67.05503	3.6
69.07063	4.5
71.04983	0.9
71.08630	4.2
71.14063	1.3
71.19787	0.4
72.08134	0.7
79.05491	3.7
81.07041	8.5
83.01356	0.5
83.08604	1.0
85.06542	2.8
89.05998	1.8
91.05458	1.8
93.07029	4.0
95.08595	7.1
95.38984	0.4
97.06519	1.4
97.10155	0.6
99.08086	2.6
105.07015	3.4
107.08572	4.4
109.06502	16.1
109.10114	3.4
110.82030	0.5
111.08069	0.9
117.17526	0.4
119.08571	2.6
121.06498	0.9
121.10125	2.9
122.07248	1.3
123.08055	25.3
123.11689	2.0
124.08386	0.9
131.08559	1.0
133.08604	0.7
133.10107	2.0
135.08044	3.5
135.11633	1.8
137.09579	1.6
145.10118	1.9
147.11647	1.6
149.09634	0.6
149.13280	1.0
151.09779	0.5
156.31979	0.5
159.11650	0.9
161.13237	0.9
165.12703	1.1
167.14333	1.2
173.13202	0.6
173.27760	0.5
179.14288	89.3
180.14673	2.5
193.15849	3.1
205.08614	3.9
223.09663	4.5
307.22650	0.9
331.26376	3.6
337.20105	0.5
345.20584	1.6
345.27884	0.6
363.28888	100.0
364.29294	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	362.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05494	2.6
62.76070	0.7
67.05487	1.3
69.03385	0.9
69.07062	1.3
70.06586	0.9
71.01318	0.9
72.08139	0.8
77.92194	0.6
79.05476	2.4
81.03410	6.1
81.07021	1.9
83.08598	2.0
85.02892	2.6
91.05472	3.9
93.07030	1.7
97.01688	0.8
97.02858	1.0
97.06509	1.0
103.05452	5.5
105.07001	1.4
107.04923	2.8
107.08553	1.3
109.06511	1.0
111.08020	1.1
114.50999	0.8
115.05444	1.6
117.07003	3.4
119.04942	1.5
119.08508	1.3
121.06499	3.3
121.10102	1.0
122.03654	1.6
122.06023	1.1
122.06821	0.7
123.04440	0.8
123.08018	1.2
131.04903	11.1
131.08571	0.8
132.05173	1.3
135.08057	2.0
137.05965	39.8
138.06326	1.7
140.07013	1.2
141.01907	0.7
143.08543	1.4
145.06500	1.1
147.04401	0.7
149.05949	1.3
149.09599	1.0
151.07533	9.8
160.05206	1.5
161.05939	2.8
161.09578	1.1
162.06697	1.5
163.07530	43.7
164.07840	2.8
165.09079	0.8
165.12767	1.0
167.07011	5.0
168.07385	1.1
171.08025	1.1
173.06001	1.1
173.11775	0.9
175.07549	3.2
177.09091	100.0
178.09451	5.1
181.08591	1.7
186.12074	0.9
187.07588	0.9
189.09129	1.4
190.09500	1.7
195.10158	7.8
203.10600	0.9
212.07912	0.8
221.11702	23.9
222.12045	1.9
271.13159	1.1
299.12817	1.5
299.86612	0.7
345.59961	1.2
346.10205	0.9
350.49063	0.7
362.20267	1.2
363.18011	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	363.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78825	1.2
55.01871	2.1
55.05495	2.6
57.07066	64.0
59.81983	0.8
61.01141	4.3
61.65644	0.9
63.19078	0.9
67.05497	2.1
69.03423	2.5
69.07062	2.9
69.64886	3.8
69.65322	4.4
71.05003	1.0
72.04508	14.4
78.03776	8.2
79.05469	1.4
81.03407	1.4
81.07050	4.2
83.04972	1.1
83.08619	1.2
84.08142	1.2
85.02883	1.9
85.06528	19.2
86.09695	20.4
88.02203	3.3
88.46099	0.9
91.05459	1.7
93.07039	2.8
95.04327	0.9
95.04958	3.3
95.08601	3.9
99.05560	1.9
102.03747	8.4
102.09160	2.5
105.07041	2.4
107.08583	3.1
109.06531	1.3
109.10167	1.9
111.07977	1.0
113.06009	2.6
114.03740	7.9
114.09163	7.4
115.02046	1.1
117.06998	1.4
119.08572	3.0
120.04813	2.3
121.10135	2.1
123.08092	1.4
130.08630	1.2
131.06267	4.9
132.04768	15.4
133.10114	2.5
135.07971	1.2
142.08621	5.7
145.06754	1.0
145.10141	2.5
147.11736	2.6
149.07420	24.4
149.09488	0.9
156.10184	81.0
157.10443	2.9
159.05829	5.1
159.11720	2.2
167.07001	3.7
171.11647	1.1
184.09680	3.2
215.12111	3.0
233.13156	100.0
234.13383	4.9
243.11520	3.5
261.12708	6.8
302.17618	1.3
333.17816	1.0
345.14096	2.2
345.18372	45.5
346.18741	3.0
363.21881	1.5
363.26419	2.0
363.30670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88049	0.2
66.81542	0.2
68.05032	0.3
70.06575	0.4
71.07618	0.7
79.05485	0.4
81.03386	0.4
83.04976	0.6
84.08099	0.4
85.02928	0.2
89.63464	0.2
94.06577	0.3
96.08118	1.5
103.05460	0.5
109.02857	0.7
114.09152	64.1
115.05441	0.3
115.09488	0.9
117.07006	0.6
118.06525	8.6
127.03881	0.6
142.06508	0.7
143.07309	0.7
144.08070	5.1
146.05988	19.9
170.06000	1.8
174.11237	100.0
175.11606	1.5
188.07048	12.1
197.91573	0.2
361.17526	22.1
362.17963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.3
70.34745	1.3
81.05791	0.5
83.04912	0.3
86.30450	0.3
91.05454	0.5
94.06539	0.4
94.62366	0.3
96.08119	1.8
114.09152	82.7
115.05476	0.5
115.09487	1.6
117.06996	0.6
118.06525	9.4
142.06505	0.9
143.07294	1.1
144.08060	5.1
146.05991	22.5
147.06299	0.4
149.02332	0.6
150.02664	0.4
160.07822	0.3
164.04300	0.4
170.05966	1.5
174.11237	100.0
175.11583	3.0
188.07039	12.9
189.07413	0.6
241.59785	0.3
345.49271	0.3
361.17514	27.8
362.17764	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	361.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.3
55.05513	23.9
57.03417	6.1
57.07059	12.0
58.37255	4.6
60.12724	4.7
67.05493	21.4
69.03407	10.2
69.07061	86.4
69.61485	29.8
69.61906	15.8
71.04991	13.1
73.17088	5.2
74.06076	5.3
79.05486	24.9
81.07046	100.0
83.08605	16.0
85.02847	8.3
85.06529	14.5
91.05479	17.0
93.07035	41.5
95.04955	9.8
95.08588	63.6
97.06533	8.4
97.10149	7.5
98.20639	9.0
103.05474	5.8
105.07028	44.0
107.04908	7.8
107.08588	40.1
109.02859	5.7
109.06528	10.6
109.10145	42.8
111.08070	7.2
111.11716	22.2
117.07011	6.3
119.08585	18.2
121.06491	9.9
121.10117	49.3
123.11695	87.2
124.07524	5.8
128.06261	5.5
129.07008	6.9
131.08551	11.2
133.10124	10.4
135.11681	18.6
137.05971	13.3
137.13232	8.9
139.11142	24.1
145.10138	7.8
147.11670	32.7
149.13242	19.8
151.07481	5.5
151.11154	9.7
152.55264	4.7
153.05452	6.8
153.12743	18.1
157.06427	5.2
159.11673	6.4
161.06003	7.9
161.13255	6.3
163.07556	6.5
163.14853	11.4
165.12755	37.8
167.07037	18.0
167.14293	5.1
169.12256	17.9
181.08606	25.6
189.09131	21.8
189.16409	7.2
203.17963	7.3
207.10059	9.3
216.12321	14.6
233.36623	5.2
245.22639	7.2
253.08604	6.4
271.24121	10.9
277.24991	8.5
289.25220	60.8
299.12732	6.1
307.26251	55.2
329.11151	7.9
343.15298	7.8
361.20117	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	361.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.05500	26.0
57.03424	6.8
57.07070	8.8
59.04980	5.2
65.03918	5.3
67.05492	28.6
67.33896	2.9
69.03411	8.6
69.07059	66.8
70.06572	4.6
70.31853	3.2
70.61793	3.2
71.04990	5.0
71.79433	5.1
72.08167	4.0
75.19257	3.8
75.38732	3.8
75.83278	3.6
79.05473	17.1
81.03378	5.1
81.07046	100.0
83.04984	5.3
83.08597	9.8
85.02885	11.9
85.06518	12.3
91.05462	15.5
93.07033	54.7
95.04939	8.9
95.08600	53.6
96.90785	3.4
97.02877	4.4
97.06499	13.5
97.10160	9.2
99.04397	3.6
99.08085	5.9
101.06023	5.1
105.07034	18.1
107.04964	6.3
107.08575	58.2
109.02858	7.1
109.06467	8.4
109.10140	35.9
111.08076	24.4
111.11703	9.7
114.09142	4.5
119.08579	9.6
121.06521	7.3
121.10131	20.6
123.08058	5.2
123.11665	23.5
125.09615	4.2
127.07567	4.2
129.07027	4.8
131.04926	5.2
133.10100	21.6
135.07991	4.3
135.11700	16.9
137.05910	7.7
137.09511	4.2
137.13264	10.2
139.11147	20.8
145.05005	4.8
145.06496	3.8
145.10088	6.3
147.11668	13.0
149.09625	3.7
149.13229	10.4
151.11169	28.4
153.12701	4.9
157.06360	4.5
159.11609	5.9
161.05942	5.7
161.13248	4.2
163.07472	4.1
163.14754	8.0
165.12660	4.7
167.07021	13.5
175.14806	5.3
177.16370	6.1
179.06908	3.5
181.08559	14.2
181.12201	5.7
189.09135	8.3
189.16295	4.3
202.10678	15.5
202.12398	3.6
205.08626	5.4
223.09604	5.9
231.11671	4.3
242.59367	3.2
259.23993	4.2
271.24191	9.7
277.25171	16.0
283.13120	3.7
285.11246	4.9
289.25192	38.0
307.26294	65.5
308.26596	3.8
325.17953	4.4
329.10880	4.0
343.19147	9.1
361.16254	6.8
361.19849	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	361.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81904	1.3
53.03931	1.7
53.08688	1.2
55.01871	2.8
55.05497	2.6
64.16924	1.4
67.05495	3.1
69.03413	2.5
69.07067	1.5
70.06564	2.2
71.04977	1.4
71.79143	2.0
77.03924	1.5
79.05477	12.2
81.03403	1.4
81.07047	3.8
83.08601	2.9
85.02904	3.2
85.06551	2.3
91.05466	23.5
93.07034	14.0
95.04967	10.0
95.08570	1.5
103.05458	11.6
105.07024	13.4
106.07323	1.3
107.04935	33.4
107.08561	1.7
109.02869	1.6
109.06472	2.9
111.04463	2.5
111.08104	2.2
113.09363	1.3
114.09151	1.4
115.05437	4.7
116.06221	1.4
117.07020	5.9
119.04899	7.3
119.08578	3.7
120.05730	4.0
121.02886	1.7
121.06487	20.2
122.03616	1.4
123.04416	7.1
123.08040	1.7
124.05233	3.3
125.05978	3.9
128.06226	8.8
129.06989	26.9
131.04921	12.1
131.08534	14.1
133.02827	2.5
133.06464	5.8
133.10110	1.6
135.04436	4.0
135.08026	7.9
136.05225	2.1
137.05940	21.4
139.07431	2.4
143.04904	1.5
143.08577	1.6
145.06435	7.0
146.03581	2.1
146.07248	3.3
147.04391	4.0
147.08052	5.0
148.05151	3.1
149.05981	7.5
151.03871	4.7
151.07530	18.5
152.04698	5.0
153.05447	13.3
153.06767	2.8
155.08562	2.2
157.06468	19.3
159.04366	1.5
159.08083	2.6
160.05202	2.1
161.05959	36.0
161.07320	2.1
161.09573	10.6
163.07515	19.7
163.14796	2.7
165.05540	2.7
165.07016	8.1
165.09091	9.6
166.06258	9.6
166.07626	2.7
167.07031	71.7
167.08488	7.1
168.07430	1.4
169.10109	2.0
171.08041	2.1
174.06726	13.2
174.11205	1.6
175.07568	9.3
175.08987	1.9
177.07007	1.5
177.09081	10.1
178.07761	3.6
179.07013	4.7
179.08554	6.9
180.09357	1.8
181.06599	4.0
181.08569	100.0
182.07266	7.2
182.08931	3.5
183.08005	3.2
185.11752	1.6
186.41687	1.6
187.07387	2.4
189.09079	80.8
190.07748	3.1
190.09431	2.8
191.08565	3.2
191.10664	3.5
193.06458	4.2
193.08481	2.9
194.07246	5.0
194.74933	1.1
195.08044	11.0
196.08655	1.5
197.06046	2.5
197.09618	10.3
199.07442	1.3
199.16910	1.8
203.10599	1.5
205.08586	1.8
205.10216	1.5
207.08090	3.5
207.10155	17.4
207.11945	1.8
208.05154	2.1
208.08746	5.4
209.06088	2.2
209.09746	1.5
210.06717	6.8
211.07475	6.2
212.08240	1.8
214.06531	1.4
219.08052	4.9
220.08844	1.6
221.05927	4.3
221.09653	2.2
222.06772	3.1
223.07532	8.8
223.11156	3.5
224.08168	2.8
225.05489	2.5
225.09039	18.2
226.06084	1.6
226.09641	1.5
227.06984	5.7
227.10641	1.4
229.12132	3.2
235.07585	3.7
236.08344	5.0
237.09058	3.5
239.07031	5.7
239.10698	2.6
240.07790	4.7
241.08464	3.7
242.09352	2.2
247.07520	3.4
249.09232	1.4
251.07053	4.2
251.10724	5.1
252.07751	1.9
253.08595	15.8
254.09195	2.4
255.06468	3.9
255.10120	5.7
256.10641	1.4
257.07916	2.9
257.11685	19.8
265.08603	3.1
267.06375	1.7
267.10196	3.8
268.07315	3.3
270.08813	5.3
271.13293	3.0
279.10062	5.8
281.08167	2.0
282.09119	1.9
283.09940	12.6
283.13248	11.3
284.10251	2.1
285.07880	1.8
285.11163	37.4
286.11676	1.8
289.14377	1.9
297.11237	3.1
299.09357	2.2
299.12698	5.3
301.14142	1.6
302.11502	5.2
311.12677	8.8
314.11383	1.8
315.12177	19.3
317.13824	31.5
328.12881	2.6
329.13885	4.3
331.15454	4.5
343.11673	2.5
343.15366	14.7
344.15805	1.8
361.16513	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	360.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24614	2.6
53.03941	5.6
54.31014	3.1
55.01842	8.7
55.05502	36.0
57.03421	5.2
57.07034	4.5
59.04985	3.6
62.80908	2.9
67.05489	71.6
69.03400	10.8
69.07051	35.6
69.13418	3.2
71.04601	5.3
71.04978	83.8
73.06547	4.8
79.05481	67.4
81.03402	8.2
81.07045	41.9
83.04949	12.8
83.08612	17.7
85.02868	10.5
85.06492	4.8
85.73101	3.1
87.08083	3.0
88.03951	6.5
91.05458	25.0
93.07021	76.3
94.07332	4.3
95.04935	9.6
95.08595	37.3
97.02866	5.7
97.06486	13.4
97.10145	28.6
98.21414	9.5
105.07021	23.6
107.08573	65.1
109.06490	9.7
109.10142	52.0
111.04414	10.6
111.08047	6.8
112.04763	6.1
117.07009	5.2
119.08547	19.1
121.10105	66.0
123.08020	7.2
123.11647	9.5
124.60471	3.2
125.09588	31.7
127.03884	6.4
131.08536	7.1
133.10103	14.2
135.08002	4.6
135.11646	11.3
143.08516	4.7
145.10091	14.1
147.11653	9.3
149.09595	13.0
149.13176	5.8
153.12718	48.2
155.10622	12.9
155.24480	3.0
159.11630	10.6
161.13313	3.7
163.11183	4.7
173.11700	100.0
173.13225	5.9
179.14336	3.9
189.11223	36.3
195.13803	8.5
197.18588	3.4
205.08527	5.2
227.16319	19.2
239.18002	4.6
239.35748	3.4
257.19055	6.8
274.27283	10.1
274.57019	3.3
275.20023	71.3
276.20227	4.6
293.20929	7.1
343.19067	3.7
361.20197	4.0
361.30270	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	361.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56349	0.5
51.97420	0.5
55.05511	0.6
58.39107	0.6
64.76918	0.5
65.03924	0.7
67.05490	5.0
68.05013	0.7
69.07062	1.6
70.06580	100.0
70.17448	1.7
70.17849	1.1
71.04966	0.9
71.06931	1.6
72.08136	0.6
76.61063	0.5
81.03394	0.8
84.08130	1.3
91.05458	1.3
94.06566	2.4
95.04954	10.8
112.07584	20.3
113.05978	2.7
114.09178	1.1
115.05463	1.4
117.07043	2.3
118.06520	23.0
119.06886	0.7
121.10143	0.8
123.04427	0.8
124.04780	0.6
130.08615	26.9
131.04968	0.9
133.06093	0.7
137.06004	0.7
139.11169	1.1
142.06525	2.4
143.07280	3.0
144.08060	13.2
144.09129	0.8
145.06499	0.7
146.05984	68.2
147.06398	1.9
160.07582	0.7
163.11201	1.0
167.07033	1.0
170.06004	4.6
174.07597	39.0
174.11179	1.2
175.07970	1.3
179.06973	0.7
181.12248	1.6
188.07037	70.0
189.07413	2.9
199.13310	1.9
206.52422	0.6
207.06505	1.3
209.10161	0.9
210.36015	0.5
307.89706	0.5
317.14935	29.2
318.15424	2.1
361.13828	11.1
362.14383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
54.36415	2.9
55.01865	4.7
55.05311	2.4
55.05505	30.5
59.04984	4.2
60.24239	2.7
67.05174	4.7
67.05497	50.4
68.47502	2.6
69.03423	6.5
69.07061	28.2
71.04980	100.0
71.14832	3.8
71.15178	6.0
79.05484	46.8
81.07042	47.1
82.07361	3.3
83.04951	5.8
83.08598	13.8
91.05470	18.7
93.07030	49.1
95.04951	5.2
95.08591	29.3
97.06512	10.3
97.10152	16.1
99.08075	2.7
105.07030	24.1
107.08575	50.9
108.08885	4.1
109.06490	6.7
109.10143	27.8
111.08081	4.9
117.07013	7.5
119.08574	18.5
121.06444	5.9
121.10129	31.0
123.11664	4.4
125.09610	16.2
127.03928	4.4
131.08505	9.1
133.10103	22.3
135.07988	4.6
135.11674	15.4
137.09581	5.1
145.10092	12.4
147.11646	11.4
147.19128	2.9
149.09567	5.2
149.13266	8.7
149.66240	2.4
153.12698	24.4
155.10664	6.9
159.11609	20.6
161.13297	5.4
162.13603	2.8
163.11099	6.9
173.11702	38.9
173.13113	4.9
177.12756	13.7
179.14339	3.2
189.11221	18.0
195.13737	19.1
204.91084	3.0
209.15294	6.8
213.14764	5.9
227.16394	81.7
228.16714	4.8
239.18002	3.3
253.69560	2.8
257.18961	3.7
275.20026	63.1
276.20441	3.6
307.22696	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	360.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
57.03417	0.8
58.06582	0.6
61.02905	0.4
63.19226	0.3
65.71387	0.4
67.05473	0.5
69.03409	1.6
69.07047	0.7
69.70863	3.0
70.06577	2.8
71.04992	0.4
72.08136	3.1
73.02846	0.3
73.06470	0.3
75.23505	0.4
79.05444	0.7
81.03400	1.2
84.04499	0.7
84.08120	1.5
85.02895	4.1
86.09692	6.1
87.04485	0.4
89.03893	3.2
91.03857	0.4
91.05458	0.7
95.04974	0.6
97.02861	1.5
98.20686	0.8
99.04424	0.6
103.05448	3.1
107.04942	2.6
109.02848	1.2
110.07165	0.4
112.07613	0.5
113.02335	1.0
113.05981	0.7
114.10265	0.8
114.39378	0.4
116.07072	0.8
117.03356	4.9
119.04926	0.6
121.02794	0.4
123.04410	0.6
124.07581	1.3
127.03900	2.2
128.10477	0.4
130.08687	0.5
131.04904	8.7
132.05312	0.4
135.04399	11.9
137.05963	1.7
138.06313	0.4
138.09114	0.4
145.02831	9.9
145.04839	2.1
146.05908	0.5
147.04324	1.9
148.04759	0.6
151.03893	0.5
152.10667	0.4
163.03877	100.0
163.07498	4.4
164.04240	1.6
166.08582	0.5
167.06953	0.5
174.07692	0.4
176.08040	0.4
180.10150	1.2
181.04932	10.8
182.75876	0.3
182.99612	0.4
191.06964	0.5
198.02121	0.5
198.07703	0.5
198.11205	1.2
198.14761	0.4
199.18030	0.7
208.09685	0.8
227.17479	0.5
251.06865	0.4
252.07307	0.5
300.13156	0.5
310.12439	0.4
325.09146	0.8
325.18158	0.4
331.25336	0.4
336.34241	0.4
359.69043	2.4
360.14151	0.7
360.18671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
56.05027	1.1
57.03431	1.7
58.06576	1.0
60.84725	0.8
61.02914	2.1
64.09679	0.9
67.05490	2.1
69.03412	3.6
69.07051	0.9
70.06586	8.5
71.04961	1.5
71.75153	1.5
72.08149	2.3
73.02897	1.2
79.05457	1.6
81.03399	3.1
81.07053	2.1
83.04928	1.2
84.04503	1.1
84.08127	4.2
85.02888	13.1
85.08471	1.3
86.09695	8.8
87.10010	1.2
89.03890	3.1
91.05473	1.3
97.02888	4.9
99.04488	1.4
103.05445	1.2
105.06969	1.3
107.04933	2.6
109.02813	1.8
109.06507	1.4
114.09190	1.7
116.07078	4.2
117.03350	3.9
122.02380	6.7
127.03888	7.5
129.10217	1.5
130.08685	1.1
130.10532	0.9
131.04930	1.4
135.04379	14.4
137.05931	3.2
138.06329	1.3
140.03401	1.6
140.07037	1.0
145.02812	12.3
145.04927	5.1
147.04405	1.6
149.06004	0.9
154.04933	1.3
159.78020	1.2
163.03876	100.0
164.04160	2.9
172.76265	1.1
176.07843	1.3
181.04926	50.5
182.05327	1.0
188.07082	1.6
198.11316	1.1
208.09702	1.9
266.06555	1.6
270.08530	1.0
300.12967	1.2
310.08011	1.2
332.58466	0.9
343.99426	1.0
358.77301	0.9
360.14145	1.4
360.18616	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	360.1049
Annotation	4-ADNT glucoside
Peak:m/z	Relative Intensity
59.59402	0.7
70.07207	3.1
70.07626	1.6
72.49704	0.7
81.89223	0.7
83.24025	0.8
85.02868	1.0
90.87744	0.8
96.08125	0.8
98.97565	0.8
101.00726	0.8
114.09155	2.4
115.62007	0.7
120.42879	0.6
127.03864	0.7
142.08614	1.0
145.04921	1.0
149.89240	0.7
154.07246	0.7
160.09689	2.5
189.55644	1.2
198.05283	6.6
198.56174	1.0
216.05484	0.7
234.06537	0.7
238.03085	0.9
249.84666	0.7
252.40787	0.8
261.02832	0.9
270.58325	2.8
273.61746	0.7
291.04367	0.7
360.10504	100.0
361.10873	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3151
Annotation	AKD 2A
Peak:m/z	Relative Intensity
55.05508	12.2
55.50393	1.3
57.03427	6.6
57.07067	100.0
60.66548	1.4
67.05496	28.9
69.07057	18.8
69.86350	10.1
71.08620	75.0
72.28322	1.4
75.04450	5.3
79.05470	4.0
81.06596	2.5
81.07048	38.3
83.08607	24.1
85.09665	2.1
85.10167	42.4
85.29450	1.4
87.25750	1.5
88.07598	1.8
93.07018	5.5
95.07992	3.0
95.08595	60.0
97.09564	2.1
97.10150	26.9
99.08068	1.3
99.11700	3.4
103.07576	1.4
105.03719	17.0
105.06983	2.5
107.08575	3.4
107.40959	1.3
109.02885	1.7
109.10143	29.4
111.11703	11.3
113.13274	1.7
119.08537	1.6
122.06350	8.6
123.11687	16.3
125.13256	2.1
127.03905	1.6
131.08540	2.1
131.51906	1.5
133.10110	2.1
135.11649	3.4
137.13252	8.6
147.11673	2.0
159.08012	5.5
183.56926	1.5
191.10696	3.2
203.62000	1.3
219.10223	10.0
237.11130	12.2
249.25815	3.4
267.26788	20.8
268.27081	1.7
285.27802	7.2
296.29456	33.7
331.80380	1.5
341.30475	83.2
342.30783	3.4
359.22177	8.8
359.37100	16.0
360.29303	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	359.1694
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01873	1.4
57.03428	2.2
60.11141	0.8
61.02923	1.3
63.68180	0.9
67.05489	2.5
68.32036	0.9
69.03411	3.9
69.07051	3.0
70.06570	3.6
71.18758	1.7
71.19109	1.4
72.08129	1.6
79.05478	2.4
81.03416	2.2
81.07050	3.9
85.02889	9.8
86.09694	22.0
88.03990	1.4
91.05466	4.2
93.07024	9.4
95.08601	3.6
97.02874	2.5
97.06549	1.1
99.04442	1.7
103.05483	1.7
105.07003	8.1
107.08572	29.3
109.02860	1.6
109.06506	2.2
109.10154	2.0
112.40653	0.9
115.38102	1.1
119.08553	5.6
121.10129	9.5
123.08002	1.0
123.11700	1.7
127.03895	2.3
131.04913	2.3
132.10181	1.2
133.10112	16.2
134.10490	1.1
135.11623	1.1
137.05917	5.8
137.09612	1.0
139.07549	1.5
141.10240	1.4
143.08476	1.1
143.11784	4.2
145.04958	1.3
147.04390	2.1
149.09612	4.1
151.03896	1.8
151.07489	1.7
151.11145	6.0
161.05930	1.6
161.09581	4.5
161.13228	1.9
162.06441	1.1
166.08716	1.1
167.07014	1.1
167.10634	10.5
167.99823	0.9
171.11336	1.4
179.10631	13.8
179.14313	1.4
189.12402	3.2
197.11693	100.0
198.12099	3.3
200.13936	4.3
201.12341	8.0
211.66478	0.9
228.13440	2.1
229.12029	1.6
251.10229	1.0
265.65775	1.0
299.12943	1.3
311.12643	1.7
311.75909	1.0
341.14056	1.3
359.16074	2.2
359.22607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.4
55.01863	0.7
57.03413	1.0
61.02900	1.5
67.05470	0.9
69.03429	3.0
69.07049	0.4
69.90652	0.9
69.91063	1.6
70.06576	0.6
71.04963	0.4
72.08132	0.4
73.02884	0.8
79.05476	1.6
81.03397	1.4
81.07024	1.9
84.08112	0.5
85.02895	8.4
86.09698	6.6
87.04461	0.5
87.05550	0.8
91.05455	2.8
93.07026	5.0
94.63956	0.4
95.04956	0.7
95.08578	1.1
97.02307	0.3
97.02869	2.3
98.02403	0.6
98.21408	0.8
99.04427	0.4
103.05432	0.9
105.03381	0.4
105.07016	6.3
107.04945	0.4
107.08578	30.0
107.38525	0.3
108.08878	0.5
109.02846	1.4
109.06494	0.8
109.10155	1.7
119.04911	0.7
119.08570	4.1
121.06516	0.9
121.10127	4.2
123.08055	0.6
123.11707	1.1
123.14879	0.4
127.03867	1.5
131.04869	0.9
131.08533	0.8
133.10120	15.0
133.11131	0.8
134.10426	0.4
135.11647	0.7
137.05975	2.4
137.09572	1.1
138.09169	0.7
139.07503	1.3
141.10199	0.8
143.08516	0.9
145.04971	0.8
149.09590	3.6
151.07535	1.1
151.11168	6.5
155.11772	1.1
161.09584	5.3
163.07414	0.4
163.11115	0.4
167.07158	0.6
167.10645	12.1
179.10640	15.2
180.10925	0.4
183.11305	0.7
197.11703	100.0
198.12009	3.6
200.13936	4.6
228.13318	1.9
247.07564	0.5
311.12857	0.4
325.17743	0.6
352.22223	0.3
359.11182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74706	2.4
55.01846	4.2
55.05491	4.0
57.03416	3.0
67.05482	3.4
69.03417	9.6
69.68230	14.3
69.68636	7.3
70.06570	11.7
72.08134	21.9
79.05479	3.2
81.03384	3.6
81.07043	5.4
84.08134	4.5
85.02888	21.9
86.09715	15.3
91.05463	10.2
93.07013	6.2
94.04146	3.5
97.02860	3.0
98.21470	5.1
103.05457	8.2
105.07003	7.5
107.04968	5.0
107.08583	25.0
109.02856	7.6
109.06512	5.0
109.10120	5.3
114.10235	3.2
116.07088	3.4
117.03348	8.6
119.04921	7.8
119.94485	3.8
121.06481	3.6
122.03613	9.1
124.76230	2.7
127.03908	8.8
129.06979	4.5
131.04930	12.7
133.10107	14.5
134.05922	2.7
135.11691	10.3
137.05954	100.0
144.05698	6.5
145.02829	16.7
145.04950	5.6
147.04416	20.4
149.05937	5.6
151.03888	14.6
151.07458	4.7
151.11125	3.7
153.05586	3.4
160.05127	9.3
161.05991	4.8
161.09595	8.3
163.03932	3.4
163.07495	5.9
172.05154	3.3
173.06064	3.4
174.06778	5.9
175.07526	43.1
177.05449	29.2
179.07024	8.5
179.10640	20.9
187.05807	3.1
187.07513	61.9
188.08086	3.1
189.09096	10.5
197.11668	64.0
199.07533	4.4
203.08556	4.3
207.06459	6.2
217.08528	15.5
219.08043	8.0
227.06972	6.9
231.07980	5.0
237.08817	3.5
240.07993	2.8
247.07468	4.0
248.08347	5.1
255.06609	5.6
263.10605	5.6
265.08658	5.8
270.08792	11.2
271.09473	5.7
273.70996	3.0
276.07761	3.9
279.10187	10.7
283.09637	3.9
291.10150	18.4
292.10797	5.9
293.08148	3.6
296.10376	6.1
297.11090	5.1
311.12851	15.0
323.12753	21.5
341.10260	4.1
341.13745	20.0
359.15054	9.8
359.18930	5.4
359.27698	2.8
359.69095	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	359.1696
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03929	1.1
55.01854	1.1
55.05498	0.9
57.03412	1.7
58.06577	1.5
59.04984	0.8
61.02920	3.0
67.05472	1.5
69.03418	6.0
70.06572	0.9
71.04970	1.2
71.58571	1.0
72.08118	1.0
73.02895	1.0
75.04401	0.4
79.05485	1.9
81.03413	2.3
81.07036	1.7
83.04996	0.5
85.02895	28.4
86.09679	1.6
87.04478	2.1
88.04792	0.4
91.03931	1.2
91.05467	4.1
93.06493	0.5
93.07033	6.1
94.06615	0.4
94.51296	0.4
95.04958	2.1
95.08598	1.1
97.02885	7.3
97.06481	0.4
99.04435	1.6
103.05453	0.8
105.07017	6.2
107.04929	0.5
107.08578	18.7
108.08926	0.4
109.02861	3.1
109.06533	2.0
109.10151	2.2
110.44048	0.4
111.04378	0.6
114.09158	0.6
117.06998	0.5
119.04948	0.9
119.08543	2.0
121.06499	2.3
123.04430	0.9
123.08095	0.9
123.11713	0.8
127.03905	6.2
128.38885	0.4
131.04910	1.1
131.08583	0.5
133.10110	19.8
134.10464	0.8
135.08075	0.7
135.11674	20.1
136.12027	0.8
137.05943	4.1
137.09566	1.2
143.08534	0.8
145.02901	0.5
145.04935	3.4
146.07254	0.7
148.05161	0.8
151.07529	1.8
151.11176	1.6
161.09601	10.5
163.07483	0.7
167.07050	1.4
175.07516	0.8
176.01950	0.4
177.05466	0.8
178.05713	0.6
179.10648	33.8
180.11003	1.1
181.08582	10.3
182.09357	3.7
190.87874	0.5
195.06622	1.0
197.11705	100.0
198.02176	0.7
198.12093	4.2
211.89487	0.4
212.07385	2.8
213.07655	4.0
214.07036	0.5
255.06447	1.6
265.08481	0.5
279.10110	0.6
284.10428	0.5
295.09296	0.6
297.11176	0.6
299.13004	0.6
300.06091	0.6
311.12634	0.8
313.10724	0.8
315.08670	3.3
328.12680	0.4
341.13660	0.8
359.14630	0.7
360.14447	2.0
377.44528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.148
Annotation	Prestegane B
Peak:m/z	Relative Intensity
51.57313	1.0
51.91673	0.9
53.03931	1.2
55.01854	4.3
55.05494	1.2
56.05021	1.7
65.03922	1.3
67.05489	1.2
69.03429	1.9
69.07066	1.7
70.06575	6.0
70.56909	2.9
71.04968	1.9
72.08143	11.0
73.02887	1.3
75.37485	1.2
79.05492	3.9
81.07058	1.6
84.04463	1.3
84.08154	5.9
85.02886	5.2
86.06053	1.3
86.09688	19.8
91.05463	14.3
93.07048	5.4
94.04186	2.0
95.04947	3.8
97.02887	1.6
98.21364	1.1
99.04458	2.8
103.05466	6.9
104.05287	1.6
105.07004	6.1
107.04957	5.2
107.08587	1.9
109.02867	1.7
109.06532	6.7
111.04411	1.9
114.10288	3.8
115.05428	10.7
116.07105	1.8
117.03422	1.4
117.07027	6.3
119.04943	8.1
121.02834	1.6
121.06488	6.8
122.03621	5.4
123.04448	2.5
125.06010	1.6
127.03881	3.0
129.06909	1.5
129.10251	2.7
130.04131	1.4
131.04884	8.6
133.02853	1.6
133.06441	4.4
135.04399	4.3
135.08044	3.4
137.05957	100.0
138.06291	5.2
140.07111	1.3
143.04901	10.7
144.05409	1.1
145.02843	2.9
145.06456	4.2
146.03622	2.6
147.04393	18.5
147.08028	8.9
148.04994	1.1
149.05956	13.0
151.03917	4.2
151.07536	5.0
153.05449	1.8
155.04901	1.4
157.60297	1.0
159.08066	1.9
160.05174	11.2
161.05954	24.7
162.06699	6.0
163.03885	25.6
163.07512	30.4
164.07864	1.5
165.05737	2.0
165.06955	9.2
166.07784	3.1
167.07002	2.2
168.05791	1.5
172.05121	2.2
174.06715	2.3
175.07526	56.4
175.10782	3.3
176.07965	1.7
177.05560	1.7
177.06999	2.5
177.09038	2.8
178.07791	3.7
179.03442	1.7
179.06989	4.6
179.08583	12.8
181.04977	3.4
181.06514	4.5
182.07219	1.9
183.08093	2.0
185.12926	2.5
187.07484	9.8
189.07077	2.8
189.09058	1.4
190.07748	4.1
191.06969	1.4
191.08498	14.5
193.06427	6.6
194.07227	13.7
195.08018	4.6
196.08754	1.5
198.02225	2.1
198.11188	1.2
199.18060	4.0
202.07739	2.2
202.52573	1.3
203.08585	2.9
205.06517	5.4
205.08611	13.9
205.10138	1.3
206.07283	2.4
206.09044	1.5
207.06296	1.9
207.08020	12.8
208.08817	4.0
209.05951	1.4
209.09464	2.5
210.06842	5.5
211.07535	3.3
217.08519	1.7
218.07341	3.8
218.11649	1.3
219.08018	23.5
219.09871	1.1
220.08705	5.9
221.05951	9.0
221.09480	1.7
222.06705	9.6
223.07523	3.3
224.08348	4.8
225.09084	7.6
227.07082	3.0
227.17592	2.8
231.08046	3.0
233.05934	2.4
234.06697	2.0
235.07544	10.6
236.08311	7.0
237.05473	1.4
237.09062	9.6
237.11034	1.2
238.06204	1.4
239.06993	3.8
239.10579	10.3
241.08572	1.3
246.06816	1.6
246.14818	1.3
247.07555	13.8
248.08257	4.1
249.05518	1.2
249.09039	1.8
250.06300	3.9
250.09868	1.8
251.07060	7.4
251.10616	11.1
252.07748	5.2
252.10754	1.1
253.08505	9.5
254.09325	3.1
255.06522	2.5
259.07767	1.4
261.09012	2.1
263.07141	2.2
263.10672	1.8
264.07822	5.3
265.08554	30.4
266.09027	3.0
267.10223	12.0
268.07300	1.2
268.10507	1.5
269.08032	3.2
270.08719	2.5
277.08627	1.8
277.16653	2.6
279.10117	31.2
280.07813	1.3
280.10629	7.0
281.07968	2.1
281.11612	2.1
282.08792	3.1
283.09750	1.8
284.10449	2.3
285.11142	17.0
286.11597	1.9
291.10242	3.7
293.08148	2.4
295.09534	9.4
296.10324	5.1
297.11191	29.5
298.11801	5.1
299.12735	48.8
300.13141	4.8
309.07724	2.2
309.11221	4.6
310.11945	7.8
311.12704	48.6
312.13232	3.8
315.12225	5.5
323.12662	2.7
327.12335	3.7
329.13794	23.7
330.14163	3.2
341.10284	1.8
341.13895	10.8
359.14883	60.7
359.18991	13.2
359.69171	5.0
360.15280	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	359.1484
Annotation	(-)-Dehydrodiconiferyl Alcohol
Peak:m/z	Relative Intensity
54.21278	1.8
55.01846	3.4
58.06578	3.3
69.07050	3.6
70.06581	2.9
71.07239	2.7
71.07618	3.3
79.05465	3.0
81.07027	5.9
84.08131	2.7
85.02895	3.2
86.09696	20.7
87.60657	1.7
91.05443	4.8
93.07031	3.3
94.04173	3.1
94.07743	1.7
95.08588	2.1
99.83277	1.8
103.05432	7.0
105.07010	2.5
107.04973	2.3
109.06513	4.5
109.10136	1.7
111.04420	2.2
114.09158	7.4
115.05437	4.6
117.07001	2.9
119.04932	6.1
122.03651	8.0
125.05997	2.1
129.06979	4.2
131.04912	17.5
133.02905	1.9
133.06439	2.8
133.10133	1.8
135.06845	1.9
137.05962	100.0
138.06271	2.8
141.10251	2.4
144.05695	3.6
147.03381	1.8
147.04376	8.9
149.05975	3.9
151.03906	14.1
151.07555	4.7
153.05469	3.1
155.11755	2.4
157.06436	5.5
160.05167	10.3
161.05934	5.4
162.06740	2.8
163.07489	9.7
167.07007	3.6
172.05170	6.7
173.05995	1.8
174.06706	8.3
174.11209	2.7
175.07527	45.2
177.05484	3.6
179.06978	7.9
179.10667	2.8
182.66887	2.0
183.11311	2.6
187.07521	53.3
188.07930	2.9
189.09073	13.7
191.08444	1.8
197.11679	4.9
199.07524	2.4
200.13908	9.3
203.08475	7.4
205.08464	3.9
208.08954	1.9
211.07605	3.1
217.08582	13.0
218.13731	3.7
219.07962	5.7
220.08795	2.7
227.07018	4.2
228.13403	5.4
231.08063	4.8
232.08858	2.0
233.05991	2.3
236.08266	3.6
237.09055	2.9
237.11340	2.1
239.07045	2.4
240.07639	3.5
241.08397	1.8
247.07504	4.0
248.08220	10.0
251.10609	4.7
253.08560	2.2
255.06511	4.7
259.07526	3.8
260.08191	2.6
263.10703	6.5
265.08539	5.9
267.09891	2.1
270.08868	14.7
271.09509	5.6
276.07748	3.7
277.08578	2.2
279.10104	7.8
280.10461	1.8
281.08023	2.6
283.09686	4.0
291.10156	16.2
292.10806	3.9
293.08023	2.8
296.10547	2.2
297.10974	2.7
310.11951	2.3
311.12802	17.2
313.10690	2.8
323.12762	26.6
329.13708	3.6
331.22034	2.2
341.10095	2.4
341.13748	20.7
359.15149	10.4
360.23679	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08025	1.9
55.01871	11.5
55.05492	9.1
56.05017	3.2
56.96556	86.2
57.03432	14.1
57.07064	3.0
58.99841	2.6
60.05640	3.3
61.02917	34.5
62.53872	2.5
67.05511	4.2
68.05049	2.9
68.86887	2.1
68.99777	4.7
69.03418	25.8
69.07054	4.2
70.06583	38.9
70.98122	12.4
71.01331	6.5
71.04980	9.5
71.78416	2.1
71.78810	4.4
72.08147	59.6
73.02914	15.6
74.06044	2.4
74.97593	6.2
78.95349	1.9
81.03408	10.7
81.07043	2.2
82.06568	4.6
83.04965	4.0
84.04483	2.2
84.08131	34.0
84.96014	8.5
85.02894	52.5
86.06029	2.7
86.09691	19.0
87.04449	5.3
88.07635	2.4
88.99150	11.1
91.00494	3.3
91.02430	2.2
91.03941	2.9
91.05450	2.5
94.06560	3.3
95.01344	2.8
95.04960	3.5
95.08590	2.4
96.08112	7.7
96.96300	7.6
97.02877	26.3
97.08440	2.7
98.06039	4.5
98.09687	11.5
98.97568	40.9
99.04459	8.0
99.99923	2.4
101.00878	4.0
101.53440	1.9
103.02415	2.7
105.00291	2.1
106.01010	6.8
107.00153	3.7
107.04939	3.7
108.08102	33.8
109.00439	2.3
109.02903	10.8
110.01295	3.3
110.06025	3.2
110.07149	2.0
110.09687	7.1
110.97536	9.0
110.99550	2.3
111.00183	10.4
112.07573	14.9
112.08739	3.4
112.99140	3.5
114.09150	32.2
115.02399	4.9
115.03909	3.4
115.08744	2.7
115.09492	8.6
116.07095	6.4
116.98605	32.9
117.00209	3.3
117.01835	54.9
118.01002	11.6
119.01907	21.8
119.02679	3.1
120.00755	9.0
122.06052	2.3
124.07580	3.7
124.99190	2.7
125.02621	3.7
126.00720	7.0
127.01527	49.4
127.03922	18.3
128.02318	3.0
128.98593	19.3
129.01900	6.3
129.10222	4.2
130.08629	100.0
130.93221	2.8
131.00113	5.3
131.01884	10.1
131.08931	4.6
132.00726	3.4
133.01538	24.5
133.03465	7.9
134.02264	2.3
134.05966	6.1
134.99637	21.4
135.01253	5.2
136.02008	5.6
136.07573	6.9
137.02867	6.8
137.05959	10.6
138.05421	3.4
138.52267	2.1
139.01465	2.6
139.05888	2.4
140.00258	2.8
140.07112	3.1
140.98625	5.0
141.01285	3.9
142.02042	5.7
143.00136	7.6
143.01880	8.5
143.03406	2.4
144.03407	2.8
144.98047	3.1
144.99734	14.6
145.01584	4.0
145.03430	7.7
145.04919	7.6
146.99617	28.4
147.01306	5.5
147.03203	3.8
147.04305	4.0
148.01971	2.4
149.02853	2.7
149.05966	3.8
150.99713	3.7
152.05893	3.7
152.07051	30.7
153.00674	2.5
153.13847	62.4
153.15091	3.6
153.44296	2.4
154.00223	58.5
154.01512	3.0
154.50406	3.5
154.96657	4.7
155.01884	4.9
156.01808	9.7
156.03450	3.1
156.99710	3.1
157.02446	2.6
157.03531	3.3
157.13315	2.7
158.99597	19.1
159.03232	3.5
159.04985	2.4
160.00166	8.7
160.02919	2.7
160.09656	7.4
160.97533	3.0
161.01126	25.3
161.02882	16.8
162.05438	3.2
162.99272	2.9
163.00764	9.3
163.02637	3.4
163.03902	4.9
165.00696	28.5
165.51013	5.2
166.00179	13.2
166.50383	3.1
167.00960	24.5
167.07002	15.5
169.00757	4.6
169.09715	3.6
170.01396	2.9
170.99678	6.7
171.01346	4.0
172.09685	4.4
172.94336	2.6
172.97665	19.6
173.01115	12.8
173.02727	10.0
173.08191	2.7
174.04387	3.3
174.55246	14.5
174.99127	5.9
175.00795	24.3
175.04362	3.2
175.11905	4.0
176.01518	26.7
177.00731	16.3
177.02374	5.8
177.05551	3.6
178.08644	5.4
178.51831	3.4
179.03839	2.7
179.08997	3.7
181.00754	3.2
182.01456	3.6
182.99660	2.7
183.01807	3.9
183.06677	2.6
183.55742	10.3
184.01248	20.5
185.01070	2.8
185.02921	5.4
186.04414	13.0
186.05898	2.9
186.51512	4.0
186.99120	13.1
187.00844	9.4
187.04626	3.2
188.02402	5.9
188.06139	3.0
188.07695	4.2
188.97127	2.5
189.00670	12.2
189.02443	8.5
190.95412	4.3
190.98619	47.5
191.02235	9.2
191.03976	9.0
193.00237	7.7
193.01875	4.2
193.03456	3.3
195.02054	3.3
195.99478	5.1
196.01270	88.3
196.09692	6.3
196.51460	6.3
196.94228	5.1
197.02275	4.9
197.09294	8.6
197.12856	6.0
200.07698	6.2
201.00693	7.9
201.02310	4.0
201.04292	3.1
201.07780	15.1
202.03882	5.1
202.98656	3.5
203.02252	4.8
203.03969	7.3
204.02824	5.0
204.05460	17.0
205.00151	24.8
205.01836	78.1
205.05696	3.5
205.51981	11.8
206.02597	3.4
206.98219	3.5
207.01727	2.9
207.52144	4.8
208.99681	12.1
210.01045	4.4
211.01830	4.1
211.04472	3.7
212.02484	4.8
214.02260	10.4
214.95294	10.5
214.98535	3.5
216.05519	3.4
216.52647	9.4
216.98639	2.9
217.01759	10.8
218.01836	2.3
218.08755	5.1
218.98184	6.8
219.01718	21.2
219.03508	3.0
219.08920	7.7
220.02350	3.7
221.03242	2.6
221.05032	11.5
223.01289	12.3
226.02293	51.7
226.06831	5.8
226.52626	3.5
227.09082	7.4
228.05325	5.2
230.03410	5.2
230.98109	6.3
231.03458	4.7
232.04240	6.6
232.96428	6.2
232.99677	15.0
233.03404	5.5
234.06374	2.5
235.02934	40.4
235.06567	2.4
236.99438	3.9
237.02777	9.5
237.53174	6.2
238.02290	22.4
238.52492	3.9
238.55727	4.0
238.95338	7.6
239.04120	3.7
240.57323	13.3
241.02635	2.4
241.04636	44.4
241.06789	4.8
241.54764	3.9
242.07114	3.0
243.03754	2.8
244.16486	3.3
245.01700	3.0
245.05121	6.8
246.06334	7.1
246.53766	8.6
246.57248	11.0
247.02956	26.6
247.07310	6.2
247.53169	4.9
248.03656	5.8
248.99120	11.1
250.97656	2.6
251.00735	8.9
251.04381	5.4
253.56285	7.3
255.57950	15.2
256.03339	18.6
256.53528	4.8
256.96289	10.8
257.01395	9.9
257.03940	4.2
260.57114	3.2
261.02814	3.4
263.00644	2.5
268.56729	27.2
269.07162	7.8
272.06570	3.1
274.97601	6.0
281.01703	3.7
292.14093	2.4
298.97369	5.0
299.07864	2.8
314.12280	7.5
315.05759	4.5
316.98532	4.8
317.03488	3.0
317.13739	5.3
327.07513	2.6
330.09052	2.8
330.99689	2.8
331.10513	12.4
331.14795	4.2
335.02753	2.8
337.09915	2.2
345.02551	2.7
359.04111	7.4
359.08508	5.5
359.14752	51.7
359.19208	5.0
359.23715	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	358.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04214	1.6
55.05486	2.1
57.03416	6.3
58.06574	3.6
67.04229	7.3
67.05480	6.4
69.07066	13.2
70.06568	6.2
79.05481	3.1
80.04987	3.2
81.03387	2.3
81.07034	2.6
82.06570	53.4
84.04514	2.2
84.08128	18.6
85.08872	2.7
86.09694	85.0
91.05467	6.8
93.07041	4.5
94.06580	10.2
95.04942	6.6
95.08576	2.2
96.08117	8.5
97.06522	1.9
98.06075	1.8
98.09690	3.4
100.07605	27.5
105.06077	1.5
105.06993	3.8
107.04940	9.4
107.08607	3.7
108.08089	3.3
109.02876	3.5
109.10104	2.7
110.06010	10.8
111.06804	7.9
112.07598	24.6
112.11250	2.9
121.06488	3.3
122.05996	4.8
122.09679	3.0
129.06963	2.2
131.04979	2.5
131.08482	1.7
133.10086	6.1
134.05957	3.8
135.06773	51.6
135.11711	2.5
136.07576	4.1
136.11212	1.7
137.05917	10.9
137.94197	1.7
138.12727	2.5
143.11775	1.8
145.06456	2.9
145.10100	2.3
146.05989	3.5
147.04529	2.0
148.07558	36.7
150.12746	18.0
152.14328	21.4
152.99040	1.7
155.08511	6.7
157.06491	3.5
157.08713	2.2
161.05959	6.0
162.09145	3.0
165.06995	4.8
166.12299	2.5
167.07072	1.8
167.15372	1.9
171.06740	2.6
171.08034	4.2
172.11194	2.2
173.09657	3.9
174.09036	2.5
175.07474	2.7
177.13887	2.2
178.12250	11.2
183.08084	9.6
185.08308	6.5
185.09705	2.5
186.09111	2.3
188.10689	5.3
195.14890	24.0
198.09088	3.6
199.07574	4.0
199.12299	2.4
199.18059	14.9
200.10687	86.8
201.08763	1.9
201.10965	2.2
202.12224	3.5
210.09019	3.9
211.07552	9.5
217.13345	91.2
223.14328	3.6
227.17522	9.8
228.10188	13.6
229.45604	2.2
245.12869	10.4
245.18665	2.5
253.08640	5.9
268.16885	5.8
285.11163	4.5
285.19574	8.3
287.21115	1.9
295.18057	2.4
302.93243	1.8
313.19046	25.5
314.19043	2.0
330.21719	100.0
331.22028	4.2
341.13922	2.5
341.18546	7.4
341.43167	1.8
358.21234	31.6
359.15030	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	358.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18301	2.0
53.62088	1.7
56.96554	11.6
61.02922	4.6
69.03415	7.4
69.07075	2.5
69.94345	6.7
69.94753	6.1
70.06568	6.7
72.08165	3.6
73.02902	4.7
81.03398	4.9
84.08135	6.9
85.02902	20.1
86.06062	6.1
86.09727	2.7
94.06564	7.7
95.06900	2.6
96.08116	18.6
97.02879	7.5
97.08416	2.2
98.97581	9.5
110.97497	3.1
114.09158	53.4
114.09908	4.2
115.09505	5.7
116.07088	2.2
116.98623	5.7
119.01895	5.4
127.03890	6.5
128.98576	3.2
130.08647	4.5
131.01895	4.6
137.05981	6.0
138.05478	4.4
143.01976	2.6
145.04973	6.5
154.08694	2.7
155.01851	2.5
160.09723	4.5
161.01392	2.1
161.02957	4.8
170.04976	4.4
171.05205	2.8
172.06523	2.4
172.08179	3.8
173.02953	4.1
174.25937	2.5
177.00696	3.4
186.06116	2.6
188.06062	2.8
189.00603	2.5
189.06294	3.1
190.07526	4.3
191.03960	3.0
191.07906	4.8
196.03697	34.2
196.08139	2.6
198.04349	2.6
200.07616	18.0
201.07997	2.8
203.04039	2.8
214.09262	4.3
216.05447	14.4
217.05763	10.9
218.08800	6.7
234.06502	7.2
235.06778	7.1
237.02866	2.7
242.08667	10.2
245.05165	2.7
268.07150	3.8
268.56888	5.5
272.10031	2.3
286.41068	2.2
288.09329	2.4
298.07706	5.5
330.10468	3.6
340.12839	8.1
358.09042	100.0
358.14383	15.8
358.25497	5.3
359.07797	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	357.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01853	5.6
55.05497	17.3
57.03419	4.4
57.07047	1.7
57.99171	1.1
58.99574	17.2
62.69871	1.3
63.47311	1.1
65.03928	3.2
66.39231	1.1
67.05492	62.9
69.03432	9.8
69.07055	13.0
69.76453	9.6
71.04993	3.0
72.08110	1.7
72.11278	1.3
73.01132	1.6
76.02213	75.9
76.03987	4.1
79.05476	15.3
81.03402	10.1
81.07041	51.6
82.07327	1.3
83.04970	3.0
83.08593	5.7
84.04497	2.3
85.02879	5.9
85.06543	2.9
86.99030	4.7
88.02200	2.9
91.05453	15.3
93.07030	20.6
95.04955	8.6
95.08592	79.8
96.08910	1.3
97.02857	3.6
97.06487	2.6
97.10145	1.4
99.04402	2.3
103.05485	2.0
105.07015	18.2
106.04169	1.4
107.04930	3.1
107.08565	13.2
108.08911	1.3
109.02863	14.2
109.06480	5.4
109.10136	50.0
110.10447	2.1
111.04430	2.6
111.08058	2.8
112.45292	1.3
115.05440	2.3
116.01657	30.7
117.03372	2.9
117.07005	2.7
119.08545	14.5
121.06471	2.8
121.10123	11.7
123.04423	2.8
123.08031	6.6
123.11725	3.1
127.03882	10.1
129.06967	1.8
130.06845	3.0
131.04887	2.1
131.08546	4.4
133.06442	2.0
133.10092	9.3
135.08009	3.6
135.11670	5.7
137.05949	23.9
137.09592	6.5
139.03844	1.5
141.05409	1.9
143.08546	2.7
144.01118	16.6
145.02831	5.6
145.10118	3.5
146.03578	2.0
147.04349	2.2
147.11665	2.4
149.05952	4.1
149.09668	1.8
149.13277	1.7
151.03915	7.0
151.14801	38.3
152.15111	2.0
157.10106	2.7
159.11693	2.2
161.05960	4.3
161.13240	11.4
162.02170	56.9
163.02405	1.7
163.11205	1.9
165.05415	4.8
165.06761	1.3
167.07002	5.7
167.08327	1.4
171.11667	1.6
173.05960	2.2
173.13231	2.7
175.07602	1.8
175.14859	1.3
176.14322	2.7
177.05438	18.4
177.09038	1.5
177.16391	1.9
178.15874	3.9
179.04819	100.0
179.14281	38.4
180.04942	1.5
180.14656	2.3
187.07431	2.0
189.03214	1.4
189.16376	1.9
193.10347	1.7
195.06470	2.4
198.71263	1.3
203.06966	3.0
213.03857	2.4
215.06932	2.4
216.06909	1.7
218.07173	2.6
219.08031	3.8
219.10069	1.8
233.09718	2.4
234.06773	2.3
234.14673	1.4
235.07660	1.5
247.07506	1.5
249.05542	1.5
249.09145	1.8
252.07658	1.6
261.09000	2.2
263.06961	2.7
265.08469	2.0
267.17654	1.4
271.07071	2.5
277.08630	2.1
278.09326	1.6
279.10233	3.0
283.09610	2.7
288.10428	1.5
295.09579	4.8
297.11166	3.8
299.12756	1.9
307.06369	1.3
307.09579	6.0
309.11038	2.1
310.11740	1.6
311.09189	1.4
313.10507	2.8
321.11270	1.6
325.10608	3.5
327.12186	9.3
329.13763	1.7
339.08456	2.9
339.12253	4.1
339.17316	19.6
357.09012	2.8
357.13321	17.0
357.18787	47.9
357.24194	5.3
357.27896	2.2
358.19342	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01847	1.4
55.05502	5.5
56.05015	0.9
57.07076	0.8
58.99579	4.3
61.01108	1.5
67.05496	5.8
68.05003	0.7
69.03407	1.8
69.07058	5.5
71.04981	1.0
71.79723	0.8
73.01109	0.8
76.03997	1.2
79.05479	5.4
80.05001	1.6
81.03378	2.2
81.07041	10.2
82.06554	1.0
83.04965	0.9
83.08600	3.9
84.04466	1.1
84.08128	3.6
85.01083	2.6
85.02873	1.0
86.00219	0.7
86.00643	8.0
86.09687	1.3
86.99029	1.4
87.02655	1.3
88.02200	2.1
89.64998	0.6
91.05455	3.6
93.07027	5.2
94.06555	1.5
95.04930	2.5
95.08601	8.6
96.08105	1.7
97.06505	1.9
97.10188	0.7
100.69946	0.6
101.04195	1.3
102.03748	1.3
102.05511	1.8
105.07013	5.0
107.08573	5.2
108.08112	11.6
108.08820	1.3
109.02865	2.1
109.06515	1.6
109.08965	0.8
109.10139	3.7
110.09649	2.1
111.08080	1.3
111.70012	0.6
112.03922	1.3
113.04202	4.1
114.03715	1.2
114.05480	0.8
115.05787	0.9
116.01654	9.8
117.07019	1.0
119.08559	3.9
121.06462	1.2
121.10110	2.7
122.09641	3.8
123.11661	1.4
124.11209	1.4
127.03876	2.0
127.05695	0.7
130.04924	1.9
130.07724	0.7
131.08531	1.6
132.08017	1.0
133.10092	3.5
134.09636	1.6
135.11659	2.5
136.11192	1.2
137.05962	2.5
137.09650	1.0
137.13278	1.2
139.05661	0.8
140.10658	1.0
143.02731	6.3
144.01076	1.7
145.02792	1.3
145.10095	1.6
147.11652	2.0
148.11208	4.0
149.05957	1.1
149.13249	1.3
151.14731	0.8
153.12698	1.0
156.08388	3.4
156.10176	3.8
157.10121	0.8
159.11653	2.0
160.11282	0.7
161.13196	1.3
162.02199	3.6
162.12759	1.2
163.07460	0.8
165.05443	1.4
165.07002	0.7
166.06854	4.7
166.12245	3.6
167.06999	1.1
168.08296	1.1
169.06128	0.7
171.02188	1.5
173.13071	0.8
174.12712	0.7
175.14914	0.9
176.14293	3.9
177.05396	2.7
177.15045	1.5
178.15895	12.1
180.13828	1.4
184.07893	6.4
187.14729	1.2
189.03284	8.4
193.10439	0.9
195.11783	0.8
195.16180	1.1
196.16939	9.8
198.14848	1.3
205.06398	0.8
210.13036	2.4
215.04750	1.1
217.06490	1.0
219.10123	2.0
228.14230	1.1
230.08328	0.8
236.14630	6.6
243.07768	0.7
245.09554	0.8
254.15709	41.3
255.16045	2.3
259.11078	1.6
269.09546	1.9
285.12732	0.7
287.10532	2.0
287.14093	2.3
339.17258	12.4
340.17468	0.9
357.18332	100.0
357.27725	3.0
358.18631	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	356.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01860	1.8
55.05499	7.5
57.03400	2.1
57.07055	3.0
58.06571	1.3
62.06081	100.0
67.05492	13.3
69.07058	9.5
69.65163	10.5
71.04970	1.8
71.08618	3.0
73.02840	1.2
79.05481	8.3
81.03397	3.5
81.07039	16.3
83.04925	2.9
83.08617	3.0
85.02906	2.8
85.06531	2.0
91.05468	5.0
93.07030	12.0
95.04956	5.0
95.08597	15.9
97.06524	2.5
97.10184	2.5
99.04444	1.9
99.08089	3.4
105.07005	8.4
107.08572	7.6
109.02865	2.7
109.10133	5.6
111.08099	1.8
113.09636	2.1
117.06991	2.1
119.08578	6.4
121.06464	1.8
121.10138	5.7
123.08038	2.4
128.07034	1.4
131.08589	3.1
133.10121	6.8
134.10388	2.0
135.08051	2.3
135.11693	3.5
139.11073	1.2
141.12727	3.5
145.10120	2.7
147.11664	4.6
149.05960	1.6
149.09619	1.9
151.11180	2.1
157.10126	2.3
161.13194	2.6
165.12744	3.6
173.13216	1.5
175.14813	3.4
187.14699	1.4
196.13341	1.9
200.16431	2.0
208.16901	1.4
210.14891	3.3
214.14467	1.4
216.32130	1.4
217.19780	1.4
226.17964	11.7
228.15909	5.4
238.17969	1.2
246.16978	4.9
259.20535	1.6
277.21603	5.3
285.94724	1.2
295.22672	2.1
318.54672	1.5
320.25763	17.0
321.24506	1.7
338.26852	45.7
339.26563	1.5
356.27933	8.2
357.13205	2.3
357.20410	3.2
357.24307	3.5
360.40875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1177
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	0.8
55.05492	0.6
57.03432	0.6
69.03410	2.2
69.86015	4.5
76.38604	0.6
79.05517	0.8
81.03404	3.4
84.63945	0.7
85.02880	2.1
85.41950	0.7
86.09755	0.7
87.04451	2.5
89.03903	5.6
91.05466	1.5
91.29852	0.6
92.23089	0.6
95.04946	0.7
97.02959	0.8
99.04450	0.8
105.06984	0.9
106.02890	1.0
109.02888	4.3
111.04383	0.7
117.03374	16.2
119.04890	0.9
124.03937	1.7
126.03743	3.3
127.03913	2.0
134.03606	1.7
135.04419	1.8
135.08026	0.8
137.05977	3.5
139.01918	0.5
145.02840	47.7
146.03195	1.5
147.04387	2.0
149.05988	8.1
151.03889	0.8
161.05998	1.7
163.03865	1.9
163.07561	0.8
165.05481	1.3
166.06841	1.5
167.06999	1.6
173.05989	0.8
177.05461	100.0
178.05840	3.7
180.10124	1.0
186.05521	1.1
191.06909	0.8
194.06366	3.0
195.06483	2.0
195.08348	0.9
195.10085	1.4
201.05525	0.7
212.07390	15.2
219.08107	0.7
220.71153	0.6
227.00880	0.6
233.08125	0.8
265.08499	1.0
277.82150	0.6
279.09998	0.8
297.11130	1.5
321.09702	2.7
325.10501	0.8
327.12091	0.7
339.10840	2.3
357.13153	3.1
357.20401	2.1
358.14096	1.2
368.83102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1685
Annotation	Machilin G
Peak:m/z	Relative Intensity
53.03928	2.9
55.05492	2.4
57.07078	1.4
65.03908	1.3
67.05477	4.8
69.03412	1.4
69.07041	2.8
69.67265	1.6
69.67670	5.5
71.04967	1.0
78.04726	1.0
79.05480	15.4
81.03400	2.7
81.07043	8.2
83.05002	2.0
83.08604	2.2
85.02901	1.3
91.05459	30.1
93.07024	18.5
94.04166	2.0
95.04942	9.5
95.08595	7.4
97.02870	2.1
97.06501	1.1
103.05442	3.9
105.06999	8.5
106.39414	0.9
107.04943	25.0
107.08564	9.7
109.02843	3.5
109.06494	3.8
109.10104	5.5
111.04401	3.1
117.06969	2.1
119.04920	15.0
119.08558	7.1
120.05711	2.0
121.06489	16.3
121.10137	8.0
122.03642	5.5
123.04402	2.8
123.07982	1.0
123.11687	2.0
124.05183	4.9
125.05966	4.3
128.06216	4.5
129.07025	2.4
130.07741	1.1
131.08525	3.5
133.06436	2.2
133.10083	3.8
135.08040	2.5
135.11662	4.2
136.05136	2.1
137.05951	84.7
137.09541	1.5
138.06281	1.9
139.07498	1.3
142.07767	1.6
143.04791	1.1
143.08540	24.7
145.02818	1.4
145.06491	1.5
145.10094	11.9
147.04346	1.6
147.08023	1.4
147.11694	2.6
148.05122	2.0
149.05956	5.3
149.09570	1.3
149.13216	2.1
151.03854	3.6
151.07510	71.0
152.04639	2.3
152.07893	1.6
153.05501	1.3
153.61551	0.9
155.08517	2.5
157.10103	2.4
158.07251	6.0
159.07939	1.2
159.11617	2.4
160.08830	1.2
161.13257	1.7
163.11163	1.6
163.14766	2.0
165.05440	1.2
165.09077	9.5
166.06248	11.6
167.07011	65.5
168.07352	1.9
169.10034	1.6
171.08020	29.5
171.11566	1.6
172.08714	3.4
173.05968	2.5
173.09595	13.6
173.13190	1.6
175.07506	1.1
175.11205	1.8
175.14803	2.1
177.05476	2.7
181.08565	100.0
182.08936	2.9
183.11652	1.5
187.14842	1.2
188.08286	22.2
189.08990	1.0
195.10121	7.2
201.09079	19.9
202.09384	1.0
203.10634	77.0
204.11026	3.8
213.16440	1.1
218.09317	1.5
219.10135	2.2
220.10886	1.2
221.11784	1.3
233.11649	11.0
237.11220	1.5
252.16055	1.2
281.22565	2.5
299.08902	1.5
325.14273	2.3
328.13239	1.3
339.23129	1.4
357.13083	2.1
357.16888	33.8
357.20325	1.9
357.23721	9.1
357.27850	4.2
358.17163	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	356.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15073	0.9
57.03431	8.3
67.05481	1.0
69.03420	2.3
70.06588	2.0
71.00639	2.5
71.04984	38.4
72.08136	1.9
73.02901	3.0
73.04757	1.0
75.04459	0.9
79.05482	1.5
81.03413	2.2
83.23690	0.7
84.04504	0.9
84.08158	1.3
85.02900	10.5
85.10239	0.8
86.09686	1.5
89.06020	11.3
91.05816	1.7
95.01344	6.6
95.04945	1.6
95.08604	3.0
97.02883	2.4
97.06525	9.7
99.00814	1.0
101.02336	0.9
107.04979	0.8
109.02856	3.2
110.07133	1.3
113.02362	2.1
113.09632	1.1
115.05432	0.9
115.07627	0.7
119.04930	1.0
122.06046	0.8
125.02374	0.9
127.03896	2.5
130.08592	0.9
131.03392	2.6
131.10612	0.8
133.02765	0.9
137.05980	5.7
141.01810	12.9
145.08583	100.0
146.08913	1.4
147.04408	3.4
151.07510	1.6
159.02890	2.3
161.05951	1.5
163.03908	2.0
163.09645	62.4
164.04224	1.2
164.09979	1.0
177.05460	2.3
194.08055	5.1
195.02885	1.1
203.06979	1.6
207.63873	0.8
219.02890	1.5
229.07307	0.9
237.03926	3.4
290.92264	0.9
303.10779	1.9
310.66678	0.8
321.11734	2.4
356.13522	2.5
357.13458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33274	0.6
53.03933	2.4
55.01862	5.1
55.05507	1.9
57.03437	3.5
57.03685	0.7
58.06596	0.8
61.02927	3.5
65.03921	0.7
67.05495	2.2
69.03419	10.8
70.17388	0.6
71.01371	0.8
71.04955	0.8
73.02931	3.9
77.03913	0.7
79.05482	2.0
81.03417	5.1
81.07062	1.9
83.04972	3.3
84.05313	1.3
85.02898	44.2
86.03233	0.8
86.09702	1.1
87.04469	0.9
91.05474	1.5
92.00134	0.7
93.07012	0.7
94.06561	100.0
95.04959	1.9
95.06847	1.6
95.08597	1.8
96.05308	0.8
96.08942	1.0
97.02890	7.7
99.04439	2.1
101.02370	8.7
103.03956	1.3
105.03391	1.0
105.07033	1.0
106.06531	3.5
107.04971	0.9
107.08554	1.1
109.02863	6.7
109.10142	1.7
110.10500	1.7
115.03899	0.8
117.03384	1.7
118.06535	4.3
118.07259	0.8
119.05013	0.8
119.08610	0.7
120.04440	7.6
120.08065	1.2
120.08903	1.1
121.10124	0.8
127.03915	7.9
130.06520	33.8
130.84853	0.7
131.06828	1.0
133.10127	0.7
134.05960	0.7
136.07558	2.5
137.05977	2.1
137.09601	5.1
138.06349	0.7
138.09949	3.7
144.08067	6.7
145.02831	4.3
145.04965	2.6
146.06073	0.9
147.04437	1.9
148.07556	78.0
149.05997	1.1
149.07928	2.8
154.06526	0.8
158.06029	11.9
158.07272	1.3
160.07599	2.7
161.05904	0.8
163.10139	0.7
165.05545	0.8
167.07010	1.8
172.07550	6.2
175.14870	1.2
176.07062	47.8
176.15158	1.2
177.05475	10.5
177.07085	1.3
182.06058	1.3
184.07518	1.7
186.05466	3.1
188.07086	2.3
190.08672	1.9
193.15884	1.1
194.08119	75.7
194.16212	2.7
195.08492	2.5
196.07571	2.5
198.09190	1.1
200.07014	4.4
202.05812	1.8
208.07582	0.9
210.09140	1.4
212.07069	1.2
218.08179	3.8
219.44180	0.7
224.07034	1.0
226.08656	3.1
234.06528	0.9
236.09184	2.6
238.08626	1.4
242.08308	0.8
254.08153	2.2
256.09738	1.1
272.09143	6.3
276.62152	0.7
284.09222	1.1
302.10349	1.9
320.11362	3.1
323.31631	0.7
338.12277	1.0
356.12909	0.9
356.21567	1.6
357.07834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.20297	1.6
53.03930	2.6
53.20000	1.4
55.01868	3.2
55.05502	32.7
57.03429	6.7
57.07073	13.0
65.03923	2.3
67.05495	75.7
69.07059	36.5
70.06592	5.9
71.04974	2.0
71.08617	7.3
71.80057	3.0
74.08182	1.8
79.05477	25.4
81.07043	100.0
83.04952	2.4
83.08603	29.2
85.06542	4.4
85.10180	1.9
88.07615	7.1
88.81012	1.7
91.05434	15.9
93.07036	26.9
93.42615	1.9
95.04960	5.5
95.08590	92.5
96.08932	2.9
97.06522	7.7
97.10158	16.2
99.08073	5.0
105.06998	25.4
106.08647	4.5
107.08579	26.6
109.06519	3.6
109.10142	48.4
111.08069	5.7
111.11712	6.8
119.08578	20.6
121.10124	31.4
123.11685	22.6
125.09634	2.0
125.13265	2.7
133.10112	23.4
135.11678	17.5
137.09612	2.8
137.13280	9.2
138.97202	1.7
139.11223	1.7
143.08615	2.1
145.10144	4.3
147.11659	17.2
149.13202	12.9
151.11145	2.8
151.14821	9.4
155.08588	2.1
159.11703	2.9
161.13231	16.5
163.03918	4.1
163.14810	14.6
165.12700	2.4
165.16377	7.9
166.81969	1.8
167.14201	2.3
171.11598	2.4
173.09673	2.0
173.13258	1.8
175.14742	11.4
177.16359	2.3
179.14354	1.7
179.17937	5.6
184.59296	1.6
189.16345	8.9
193.16087	2.0
201.16385	3.2
203.17844	2.1
245.22618	49.4
246.22878	2.0
263.23657	56.2
265.25128	3.1
309.25647	4.1
337.27328	40.3
338.27689	2.0
355.18958	2.5
355.26297	7.8
355.29333	2.9
355.34039	4.4
355.91580	1.9
356.35178	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	356.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01872	4.4
55.05503	1.4
55.26312	0.7
56.98125	0.8
57.03423	3.8
57.83262	0.8
58.06586	1.8
61.02912	2.1
62.15160	0.7
67.05489	2.6
67.20850	0.9
69.03423	12.7
69.07069	0.9
70.06587	0.8
70.07358	1.5
70.07766	2.8
71.05006	1.0
72.08131	1.0
73.02908	4.6
75.04349	0.7
81.03412	5.7
81.07031	1.4
83.04962	2.6
85.02898	40.9
86.68404	0.9
87.79866	0.8
91.05453	1.2
93.07022	1.2
94.06558	100.0
95.04942	2.3
95.06896	1.6
95.08582	2.8
96.08952	1.2
97.02874	8.1
97.06463	0.9
99.04456	2.1
101.02380	8.8
103.03934	2.3
105.07022	1.6
106.06519	3.6
106.07170	0.8
107.08579	1.4
109.02860	7.2
109.10154	1.9
117.03362	2.7
118.06517	4.0
119.04948	1.1
119.08578	0.9
120.04459	7.4
120.08068	1.2
120.08891	1.0
121.06490	0.9
122.10575	0.9
127.03886	8.2
130.06516	35.5
131.06848	1.0
134.10432	1.0
135.08029	1.1
136.07556	1.4
137.05981	1.8
137.09595	4.6
138.09927	3.1
144.08046	5.1
144.16853	0.8
145.02843	9.5
145.04945	2.7
146.06064	1.6
147.04390	3.2
148.07555	84.4
149.05986	2.3
149.07890	3.4
158.06007	11.2
159.06586	1.2
160.07523	1.2
167.07045	1.0
172.07578	5.5
176.07050	46.7
176.15036	1.0
177.05444	17.5
177.07083	1.5
177.07579	1.2
182.06096	1.2
184.07565	2.0
186.05450	3.0
188.07037	2.1
189.46704	0.8
190.08569	1.7
193.15889	2.4
194.08113	81.2
194.16191	2.3
195.06621	1.2
195.08447	3.8
196.07581	2.8
198.09155	1.1
200.07047	3.1
201.05469	1.1
202.05832	1.6
209.96100	0.8
210.09158	1.4
212.07065	2.3
214.08537	1.0
216.59702	0.8
218.08035	2.8
221.06284	0.8
226.08586	3.2
236.09132	3.0
238.08505	1.4
254.08130	2.9
256.09613	1.8
266.07999	1.4
272.09232	5.6
284.09186	1.7
291.71384	0.9
302.10217	1.6
320.11157	3.7
338.12198	1.0
356.15793	1.1
356.21393	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	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03926	3.8
54.01463	1.8
55.01857	1.8
55.05503	34.1
57.03436	9.4
57.07063	15.8
58.91120	1.5
65.03937	2.1
66.39468	1.7
67.05494	84.8
67.32230	1.6
68.05827	2.5
69.07058	39.7
70.06569	2.7
71.04967	3.3
71.08610	6.1
79.05478	25.7
81.07043	100.0
82.07349	2.7
83.04964	2.7
83.08607	32.3
85.06504	3.2
85.10164	2.5
88.07616	5.1
91.05441	19.4
93.07028	30.2
95.04961	2.0
95.08588	87.3
96.08909	2.0
97.06523	9.7
97.10147	20.4
99.08090	4.4
103.03918	1.8
105.07018	15.7
107.08566	26.6
109.09399	2.4
109.10141	50.8
111.08080	5.2
111.11687	6.8
113.09623	2.9
119.08564	16.8
121.10128	26.6
123.11676	21.5
125.09563	2.7
125.13268	2.8
131.08533	2.4
133.10110	17.4
135.11667	18.9
137.13229	11.8
145.10092	2.1
147.11673	15.0
149.13235	14.4
151.11134	2.3
151.14790	10.3
153.71748	1.7
155.14287	2.7
161.13263	14.3
163.14806	15.0
165.12695	1.8
165.16365	7.1
167.96581	1.7
175.14807	11.1
177.16354	2.8
179.14368	1.9
179.17924	5.1
183.58633	1.7
189.16341	6.2
193.15855	1.8
213.47073	2.0
229.38881	1.9
245.22623	52.4
246.22954	4.2
263.23654	58.8
264.24011	2.8
265.25134	2.6
337.27304	51.3
337.33270	2.0
355.28394	13.1
355.33929	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01870	2.8
55.05502	28.5
57.03432	10.5
57.07066	16.5
67.05496	75.0
69.07061	35.7
71.04972	2.7
71.08620	7.0
74.49162	1.7
74.75741	1.6
75.04457	1.8
79.05481	26.4
81.07047	100.0
83.04977	3.1
83.08612	26.7
83.33772	1.5
85.06532	4.7
85.10185	2.9
91.05435	16.8
93.07035	26.7
95.04937	2.8
95.08594	89.0
96.08941	2.8
97.06532	9.7
97.10160	17.6
99.08064	4.6
105.07005	16.3
107.08573	22.6
109.06525	3.6
109.10143	44.2
109.10866	3.4
111.08080	4.0
111.11713	6.7
113.09601	2.4
119.08547	17.9
121.10128	30.7
123.11692	28.4
125.09636	2.8
125.13297	1.5
127.11182	2.1
129.05470	5.6
131.08548	1.6
133.10109	22.5
135.11664	16.4
137.09602	3.5
137.13232	10.6
139.11177	2.2
141.12723	2.1
143.30658	1.9
145.10133	2.6
147.11673	16.2
149.13237	14.5
151.11220	2.8
151.14781	9.0
153.12718	2.1
155.14304	3.0
161.13248	16.9
161.87959	1.6
163.03906	2.4
163.14795	14.3
165.16386	6.8
167.14345	2.3
173.09660	2.7
173.13344	1.6
175.14793	15.4
177.16425	2.7
179.14290	2.7
179.17915	4.7
181.15848	4.1
189.16415	6.7
203.17828	2.3
217.19550	2.3
245.22620	54.9
246.22911	4.3
247.24362	1.8
263.23660	65.1
264.24185	3.2
337.27319	50.1
338.27838	3.8
355.28339	29.4
356.35394	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	355.2626
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
53.03939	1.6
55.05500	9.1
57.03411	0.5
57.06833	0.4
57.07072	3.5
58.54966	0.5
65.03931	1.5
67.05492	20.3
69.07058	12.0
70.06577	0.5
71.08609	1.4
71.79477	0.5
71.79893	0.5
77.03905	0.7
79.05478	16.3
80.05791	0.5
81.07041	34.2
82.07370	0.8
83.04991	0.6
83.08608	4.6
85.10155	0.7
88.07630	0.5
91.05454	15.6
93.07027	50.7
94.07354	0.9
94.77282	0.4
95.04977	3.0
95.08593	51.6
96.08929	1.4
97.06517	0.5
97.10161	3.1
97.27416	0.5
103.05440	0.8
105.07013	40.8
106.07324	0.5
107.08575	47.0
108.08903	1.0
109.06540	1.2
109.10137	53.7
110.10471	1.4
111.11677	1.0
115.05423	0.7
117.06994	4.0
119.08563	48.9
120.08904	3.1
121.10126	100.0
122.10469	2.9
123.08038	1.4
123.11684	16.1
124.12038	0.6
125.05939	0.9
125.09624	1.2
128.06178	0.6
128.88821	0.5
129.07014	2.3
130.07793	0.6
131.08551	16.5
133.10107	24.4
134.10432	0.8
135.08009	0.9
135.11670	46.2
136.11990	1.0
137.13248	3.5
139.07431	0.6
141.06975	0.8
142.07730	0.7
143.08536	6.2
144.09344	1.1
145.10098	21.4
146.10483	0.8
147.08083	0.8
147.11664	18.9
148.12022	0.8
149.05946	1.4
149.09671	0.5
149.13231	10.0
151.07558	0.7
151.11104	0.9
153.09114	1.5
155.08490	1.3
155.73318	0.5
156.09256	1.0
157.10086	7.8
158.10741	1.0
159.11673	16.3
161.09616	0.9
161.11873	0.9
161.13231	18.1
163.07497	1.5
163.14778	8.1
165.09044	1.0
169.10074	3.0
171.11667	8.4
172.12198	0.7
173.09595	0.9
173.13239	14.8
174.13641	1.0
175.07550	1.6
175.11230	0.7
175.14792	22.8
176.15158	1.3
177.09160	0.7
177.12831	0.6
177.16377	5.4
179.10660	0.8
179.14348	0.8
183.11653	3.3
185.13229	18.4
187.14789	30.6
188.15140	0.8
189.16342	5.4
191.10632	1.5
193.12296	0.6
193.15849	3.6
195.11668	1.1
197.13214	2.7
199.14787	10.2
200.15167	0.7
201.16354	19.6
202.16640	1.2
203.14337	1.0
203.17953	5.2
205.12210	8.7
205.15811	1.4
210.13852	0.6
211.14774	2.5
212.39743	0.6
213.16357	9.0
214.16823	0.7
215.14314	1.6
215.17894	4.4
217.12048	0.6
217.16061	0.5
217.19501	1.0
219.13797	2.2
221.15311	1.4
225.16373	4.1
227.14209	0.6
227.17906	4.5
229.19531	1.5
231.13791	3.3
231.17221	0.6
233.15405	5.4
239.17937	6.3
241.19485	3.0
245.15289	4.2
245.22559	2.4
247.16893	3.6
251.17900	0.7
253.19403	4.7
255.21057	1.3
259.16806	3.0
261.18460	1.2
263.23782	3.0
267.21094	3.8
269.22519	0.7
271.16891	1.2
273.18463	1.5
281.22430	1.1
285.18402	3.3
287.19952	0.8
299.19901	1.6
299.25708	0.5
309.25708	43.3
310.26065	3.5
311.27267	7.7
312.27597	0.7
313.21463	0.7
327.26697	1.0
337.24820	4.3
355.26251	81.0
356.26559	6.2
356.35196	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	355.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05500	10.3
57.03417	0.7
57.07069	3.2
59.35005	0.7
61.40967	0.6
65.03924	1.4
67.05493	22.6
69.07057	14.3
71.08617	1.6
71.78911	1.0
71.79279	0.7
72.08121	0.9
74.90134	0.6
77.03882	0.7
79.05481	16.6
80.05820	0.8
81.07041	39.9
82.07397	1.0
83.08624	5.3
85.06531	0.9
85.10149	1.0
88.07626	1.4
91.05463	15.9
93.07028	50.2
94.07352	1.5
95.04950	2.3
95.08591	54.5
96.08927	1.2
97.06502	0.8
97.10152	3.8
103.05472	1.1
103.08584	0.6
105.07013	38.5
106.07337	1.1
107.08572	43.2
108.08913	1.6
109.06513	1.1
109.10139	55.4
110.10485	1.2
111.08051	1.1
111.11699	1.8
117.07013	5.8
118.79669	0.7
119.08562	48.1
120.08853	3.2
121.10124	100.0
122.10442	3.4
123.08046	1.7
123.11685	18.3
124.12002	0.7
125.05942	0.9
125.09612	1.2
128.06190	1.0
129.07005	2.6
130.07706	0.6
131.08553	17.2
132.08955	0.8
133.10115	22.9
134.10487	1.2
135.08012	1.0
135.11670	45.5
136.12027	1.7
136.46346	0.7
137.09576	1.5
137.13220	4.2
142.07755	0.9
143.08560	7.4
145.10118	22.5
146.10492	1.1
147.07991	1.2
147.11664	17.5
149.05978	1.6
149.09636	1.0
149.13243	10.8
151.07468	0.8
151.14778	0.8
153.09038	0.7
155.08563	1.4
157.10104	7.6
159.11664	17.6
160.12204	0.9
161.13237	19.8
163.07530	1.7
163.14784	6.9
164.15216	0.8
165.09096	1.1
169.10083	3.0
171.11676	7.7
173.09700	1.4
173.13234	12.6
175.07565	1.0
175.14796	22.7
176.15111	1.6
177.09149	1.0
177.16333	5.9
179.10606	1.1
179.14336	1.2
183.11600	3.7
185.13235	18.1
186.13651	1.1
187.14795	28.7
188.15140	1.3
189.16385	6.7
191.10645	1.0
193.15855	3.2
195.11617	1.2
197.13335	3.1
199.14792	11.5
201.16348	17.6
202.16699	1.6
203.14198	1.0
203.17917	5.4
205.12207	8.9
205.15836	1.5
209.13322	1.1
211.14792	2.6
213.16342	6.8
215.14394	1.4
215.17899	4.3
217.12218	1.6
219.13736	1.3
221.15210	1.4
223.14653	0.8
225.16362	4.2
226.16928	1.0
227.17889	4.5
229.19487	1.4
231.13742	2.8
231.17445	0.8
233.15337	4.3
239.17894	6.0
241.19452	3.0
245.15410	3.5
245.22556	5.3
247.16904	2.7
253.19452	5.1
255.21124	1.4
259.16803	3.5
263.23605	4.2
267.21057	3.3
271.16849	2.0
273.18460	1.2
281.22525	1.4
285.18500	1.3
299.20114	1.1
309.25720	44.5
310.26007	3.0
311.27332	6.9
313.21597	0.7
319.23935	0.8
337.24719	4.8
355.26236	74.7
356.26559	7.9
356.35101	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	355.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85205	1.4
53.03940	2.8
55.01862	8.8
55.05501	13.6
57.03419	6.0
57.07061	3.9
59.04970	2.6
61.02901	4.6
65.03933	1.8
67.05494	22.3
69.03420	30.3
69.07051	11.9
70.06575	2.7
71.01345	2.0
71.04974	3.7
71.07764	3.3
73.02892	5.6
79.05489	9.0
81.03405	9.9
81.07038	18.8
83.04973	29.1
83.08600	3.3
85.02890	54.3
85.06542	2.3
87.04404	2.7
91.05428	12.4
93.07043	16.7
94.06554	100.0
94.66953	1.6
95.04959	21.9
95.08591	43.8
97.02869	13.4
97.06492	4.4
97.10143	2.0
99.04445	7.5
101.02351	11.3
103.03918	4.4
103.05447	3.0
105.07023	8.7
106.06550	3.3
107.04928	3.9
107.08567	16.6
109.02872	8.7
109.06476	8.9
109.10139	30.0
111.08065	2.9
115.03897	2.5
117.07005	3.7
118.06490	3.6
119.04910	3.5
119.08570	17.3
120.04445	6.9
120.08089	1.8
121.06508	5.8
121.10134	9.3
123.04387	2.1
123.08049	4.5
123.11667	5.3
125.05952	3.0
125.09637	3.4
127.03902	14.1
130.06508	38.2
131.04956	1.9
131.08534	5.2
132.08029	2.1
133.06483	1.6
133.10097	15.1
135.04381	1.8
135.08034	10.5
135.11667	9.8
136.07567	2.1
137.05981	13.7
137.09599	98.7
138.09984	2.2
139.11208	2.5
141.37285	1.8
141.71021	1.6
143.08473	1.8
144.08069	5.8
145.04950	6.6
145.10112	4.2
146.05872	1.8
147.04407	6.9
147.08040	2.3
147.11652	3.6
148.07550	86.2
149.05989	4.4
149.09570	4.3
149.13313	2.3
151.03893	2.4
151.07587	2.0
155.10674	5.0
157.10065	2.1
158.05975	12.2
160.07529	2.2
161.13206	2.4
165.09070	3.6
165.16374	3.1
169.10011	1.7
172.07538	6.1
173.05954	4.5
173.09541	2.7
173.13245	3.9
175.03917	3.3
175.11198	2.1
175.14792	22.0
176.05602	3.3
176.07047	50.8
179.10655	6.9
180.07909	1.9
181.08635	2.2
184.07547	1.9
186.03119	3.2
186.05478	2.4
188.06952	3.5
190.08606	2.7
191.14342	3.9
193.04962	3.0
193.12152	2.1
193.15860	45.1
194.08112	79.5
196.07556	2.5
199.11096	2.1
200.07086	3.6
201.05447	32.4
201.09045	6.3
202.05820	1.9
209.15260	3.2
210.09015	1.8
212.07210	2.2
218.08054	3.1
226.08607	3.0
231.06474	1.9
233.06116	2.4
234.06664	3.6
235.16911	4.9
236.09221	2.6
245.11691	6.1
251.16313	2.1
254.08000	2.1
262.06158	2.2
265.08493	2.8
272.09183	8.2
277.08545	2.4
277.17886	2.0
283.16879	2.4
293.08072	2.5
299.14914	2.9
301.17899	7.1
305.07925	2.0
319.19070	3.7
320.10956	4.0
323.08978	3.9
337.10614	4.4
337.20041	5.3
355.11673	2.5
355.21240	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	355.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01851	1.6
55.05496	1.7
56.26046	0.6
57.03420	2.8
57.07038	1.0
58.06588	0.8
61.02905	1.8
65.03918	1.0
67.05507	3.8
68.03604	0.7
69.03417	4.9
69.07063	6.3
70.12988	0.6
71.04972	1.0
71.26089	2.1
73.02887	1.3
75.06283	0.7
78.13750	0.7
79.05494	4.3
81.03403	7.8
81.07032	5.2
83.04979	1.7
83.08589	2.8
85.02893	20.6
85.06512	1.8
86.09686	1.4
91.05428	5.9
93.07026	6.6
94.02892	1.1
95.04946	3.9
95.08600	8.7
97.02889	6.3
97.06526	2.2
99.04429	2.0
103.03948	1.7
103.05463	1.4
104.99112	0.9
105.07021	10.2
107.04929	1.5
107.08580	8.6
109.02863	2.8
109.06506	1.3
109.10141	8.4
111.04440	1.5
111.08056	0.7
115.05441	2.0
117.07028	2.5
119.04926	1.9
119.08565	33.4
120.08116	0.8
121.10123	8.6
122.03611	0.8
123.04360	1.0
123.08083	1.4
123.11660	1.3
127.03886	4.4
128.06181	1.3
129.06969	1.8
130.04121	1.0
131.04848	1.0
131.08568	3.2
133.06491	2.3
133.10112	32.0
134.10510	1.0
135.08002	1.3
135.11670	5.3
137.05969	10.2
137.09587	2.1
141.06993	1.3
143.08449	0.9
145.02826	0.9
145.04933	2.5
145.06410	1.5
145.10081	4.6
147.04396	2.2
147.08014	3.3
147.11690	8.9
149.05962	1.5
149.09572	1.0
149.13252	2.3
151.03812	1.7
151.14783	0.8
157.06358	1.0
157.10118	1.5
159.08043	1.5
159.11671	1.8
160.05276	0.8
161.05945	3.2
161.13210	2.6
162.06696	0.9
163.03833	1.4
163.14856	0.7
167.07037	8.9
169.06476	2.9
169.10103	0.9
171.11642	0.9
173.05945	3.0
173.09558	1.5
173.13206	3.1
175.03986	1.7
175.07526	15.4
175.14801	100.0
176.07861	1.1
176.15161	4.6
177.05424	2.3
177.12766	1.2
177.16335	5.1
178.07672	1.5
185.13254	0.9
186.03116	2.0
186.06717	0.9
187.14821	3.8
189.05435	0.9
189.07048	1.1
189.09076	1.6
191.06934	1.2
191.08588	0.9
191.14290	1.4
193.08574	4.6
193.12218	4.2
193.15871	18.1
194.16203	1.2
201.05440	17.5
201.09052	1.3
202.05827	1.4
205.06470	1.5
205.15884	7.4
206.07324	1.8
213.05426	1.0
215.14211	1.2
217.15775	1.7
221.05920	1.5
221.09457	0.9
222.06853	1.1
231.08276	1.1
233.05925	1.3
234.06723	3.0
235.07454	1.7
235.13341	1.3
235.16920	0.8
236.08231	1.3
237.09038	2.8
239.06964	1.0
245.05945	0.9
247.07339	0.9
247.13428	1.0
249.09065	1.8
250.06158	1.1
251.06990	1.3
259.16824	1.4
261.05576	1.4
262.06149	2.2
263.07004	1.9
265.08521	3.7
266.09061	1.3
267.06726	1.0
269.11841	0.8
277.08646	3.0
279.06305	0.8
280.07190	1.2
290.05710	2.4
291.10135	1.2
293.08066	2.2
294.08679	1.1
295.09479	0.9
296.10349	1.2
297.11136	1.0
300.74817	0.8
301.17902	2.2
305.08090	5.0
307.09500	1.2
310.08423	1.3
311.12878	0.8
319.15552	0.7
319.19031	3.4
323.09131	1.7
325.10651	7.1
326.11063	1.2
327.12216	1.3
337.10608	5.9
337.20099	8.4
355.07950	3.0
355.11624	3.5
355.16858	14.8
355.21310	5.0
355.25226	1.1
356.18011	0.9
359.09122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05487	1.8
56.09645	0.6
57.03416	1.3
57.07043	0.7
59.04982	0.7
61.02903	1.2
62.00884	0.5
67.05480	1.9
69.03426	4.6
69.07062	6.2
70.06576	1.3
71.79057	1.0
71.79440	0.6
79.05479	1.7
81.03400	2.5
81.07035	2.6
83.04990	0.6
83.08591	1.3
85.02892	14.8
85.06483	0.9
91.05425	4.4
93.07013	4.4
94.04135	0.5
95.04942	1.4
95.08587	6.5
97.02872	4.8
97.06525	1.8
103.03912	0.7
103.05450	0.7
105.07018	7.3
107.04919	1.5
107.08575	6.0
109.02846	2.2
109.06506	1.0
109.10143	5.6
111.08021	0.8
115.05412	1.2
116.76588	0.6
117.06989	1.1
119.04910	2.4
119.08562	30.1
121.10119	7.3
123.08083	1.0
123.11712	0.7
127.03923	3.4
129.06981	0.7
131.08539	2.4
133.10106	30.1
134.10704	0.7
135.08044	0.6
135.11681	3.5
137.05942	8.4
137.09596	1.7
143.08548	1.4
145.04916	2.0
145.10109	4.4
147.04373	2.5
147.08125	0.6
147.11682	8.3
149.09608	0.9
149.13232	1.8
151.03819	0.8
157.10139	1.0
158.03606	0.7
159.08011	0.6
159.11652	1.1
160.12425	1.3
161.05894	1.0
161.09575	1.1
161.13220	2.2
162.06729	0.9
163.11125	0.6
167.06984	0.8
173.05927	1.3
173.13234	3.4
175.03891	1.2
175.07532	1.3
175.14796	100.0
176.15147	4.6
177.05495	0.7
177.14980	0.9
177.16341	4.8
178.07755	0.8
180.07764	0.7
186.03137	1.4
187.14796	2.7
193.15863	16.8
194.16217	0.8
201.05441	19.7
202.05750	0.9
205.06487	1.3
205.15843	5.9
206.07141	1.0
213.05408	1.0
233.05957	1.2
234.06670	2.1
235.07591	1.4
249.09081	0.8
250.06183	1.0
259.16815	0.9
262.06149	1.6
263.06970	0.8
265.08554	1.2
266.08990	0.9
273.05463	1.1
276.07608	0.6
277.08536	2.4
283.16861	0.8
290.05716	1.1
293.07837	0.8
295.09674	0.7
301.18066	1.4
305.08020	3.2
307.09787	1.0
309.11157	0.9
319.18985	3.2
323.09244	1.0
325.10614	1.5
337.10947	3.4
337.20135	7.4
338.11148	1.0
355.08008	0.9
355.11850	4.0
355.16833	1.6
355.20898	4.3
356.11984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01862	3.2
55.05501	2.6
57.03438	0.7
57.07077	0.5
58.99583	5.0
61.01157	0.5
67.05497	4.4
68.05019	1.4
69.07053	3.4
70.02943	0.7
71.04999	0.5
71.52402	0.9
73.01115	0.8
76.02203	2.0
76.03965	0.7
76.48491	0.4
79.05490	4.0
80.04983	0.5
81.07036	4.9
82.02927	0.8
82.06565	1.7
83.04955	1.1
83.07338	0.6
83.08576	0.8
84.04491	6.3
85.01110	2.4
86.00652	2.8
87.02682	4.3
88.02200	1.0
88.03974	1.5
91.05461	1.9
93.07032	4.6
94.06538	1.0
95.04953	0.9
95.08595	5.3
96.04441	0.7
96.08115	2.6
97.06513	3.9
99.02689	0.8
100.02203	0.9
101.04207	1.5
105.07030	1.4
107.08583	3.5
108.08100	2.7
109.06479	1.1
109.10152	2.1
110.06014	1.1
110.09666	2.0
111.02646	0.5
111.08088	0.6
112.02193	0.9
112.03951	7.0
112.11248	0.6
113.04213	3.1
115.05790	1.5
116.01672	4.8
118.06550	0.5
119.08575	1.3
120.08134	0.7
121.08818	1.2
121.10130	2.2
122.05955	0.5
122.09657	2.1
123.08038	1.7
123.11716	1.3
124.07588	3.9
125.20808	0.4
126.09158	0.7
128.05273	0.4
129.07220	0.7
130.04979	4.0
130.06865	0.5
131.08507	0.9
132.08047	0.6
133.10083	0.6
134.09633	1.0
135.08054	0.7
135.11642	1.1
136.07588	1.3
136.11180	1.4
137.05923	1.0
137.13216	0.9
138.09126	2.3
138.10045	0.5
139.09886	0.6
140.05299	1.1
140.10667	1.8
141.06610	0.4
142.04950	0.5
143.02713	1.1
143.04466	1.4
143.08562	0.6
144.01140	1.3
145.10074	0.7
146.09618	0.8
147.10420	0.8
147.11653	1.1
148.11206	0.7
149.13185	1.2
150.09149	0.8
152.10686	1.6
154.06854	2.3
155.04509	2.0
156.04823	0.7
156.08391	1.0
157.10075	0.6
159.11665	0.7
161.10750	0.6
162.02144	2.9
164.10698	1.9
164.14328	0.8
166.06839	0.5
166.15868	0.8
167.06950	0.5
167.14323	0.9
167.61778	0.5
169.06094	0.5
174.02165	0.8
176.14354	2.2
177.12712	0.9
178.06816	0.9
182.06372	3.5
188.14305	0.5
189.03302	3.5
192.13765	3.6
193.14600	1.6
194.15384	10.1
195.07617	0.8
196.07875	1.0
197.08684	1.0
201.05450	1.7
205.19598	0.6
206.15337	0.8
207.11104	0.6
209.13039	0.5
210.13037	1.0
213.03217	0.9
216.06880	5.4
222.13203	0.6
224.14610	5.4
225.08794	0.5
226.12598	1.7
226.16118	0.6
234.13080	2.2
235.10742	1.0
239.10344	2.3
240.14249	0.7
243.08051	0.6
249.12296	1.2
252.14122	5.4
252.30670	0.5
253.11862	2.8
257.09454	1.1
267.08011	0.8
267.13351	0.7
283.11105	1.3
285.08972	11.1
290.05664	0.6
309.16312	0.8
321.18091	0.7
327.17371	5.2
337.10654	0.4
337.11359	0.5
337.15717	5.4
338.15652	0.6
355.16800	100.0
355.26086	1.9
356.17120	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	355.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
53.52838	0.3
55.01845	0.5
56.05006	0.4
57.03424	3.0
69.03409	0.9
69.95751	0.9
69.96161	1.0
71.01354	1.9
73.02903	3.9
75.04458	0.6
77.03921	0.8
79.05471	2.7
81.03407	0.6
81.28622	0.3
85.02890	6.2
91.05474	1.0
95.01310	1.1
95.04954	4.5
97.02884	1.2
99.00819	0.4
101.02343	1.1
103.03920	1.7
105.03374	100.0
106.03732	2.1
109.10197	0.4
111.04421	0.3
113.02354	1.6
119.04919	0.6
123.04411	6.0
123.05247	0.5
123.75620	0.3
131.03407	1.2
133.06325	0.3
133.10121	0.3
137.05966	2.8
141.01793	2.7
145.06439	0.4
147.04416	1.2
148.07475	0.4
159.02859	1.1
161.05894	0.6
162.06818	0.4
163.26923	0.3
173.05914	0.6
175.03931	1.0
175.07497	0.4
177.05356	0.6
177.06842	0.4
179.07005	24.7
180.07469	0.7
193.04938	11.0
193.15836	0.4
194.05399	0.3
197.08060	9.9
201.05421	7.4
202.05801	0.3
221.08020	0.7
233.06306	0.5
234.06647	0.7
250.06345	0.5
262.06259	0.6
263.05447	0.8
277.08636	0.5
290.05847	0.5
293.08124	0.5
305.08130	1.0
307.09726	0.4
322.72623	0.3
323.08957	0.4
325.10843	0.6
337.09021	5.2
355.10315	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	355.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64110	0.9
53.03936	2.4
54.60905	1.0
55.01861	3.2
55.05489	4.5
57.03421	4.6
59.04992	8.9
61.02913	2.0
67.01875	1.2
67.05491	6.0
69.03416	10.6
69.07053	3.4
70.06580	1.9
70.55430	2.0
70.55821	1.9
71.01337	2.2
71.04977	2.9
73.02904	4.6
79.05464	3.0
81.03407	3.1
81.07044	7.8
83.04964	16.9
83.08593	1.6
84.08117	1.7
85.02896	15.5
86.09698	1.4
89.76282	0.9
91.05470	3.6
93.07027	5.9
94.65145	1.0
95.04967	6.1
95.08585	11.9
97.02873	4.8
97.06564	1.1
99.04436	3.3
100.11263	1.0
103.03929	2.1
105.03379	32.2
105.07007	3.9
107.04965	1.7
107.08573	8.2
109.02882	2.2
109.06511	2.9
109.10135	9.3
111.04340	1.1
112.89911	1.3
113.02367	2.0
117.03344	1.5
117.09099	1.8
119.08591	5.5
121.06517	1.1
121.10108	7.6
123.04390	3.4
123.08031	1.8
123.11688	2.2
125.09624	1.6
127.03934	6.2
129.05475	1.4
131.03380	1.7
131.08574	1.1
133.06425	1.2
133.10172	5.4
135.04381	1.4
135.08031	1.4
135.11653	7.3
137.05951	4.2
137.09608	16.0
137.13214	1.1
138.16214	1.1
141.01807	2.9
145.02948	1.0
147.04381	1.2
147.07971	1.0
149.09616	1.0
149.13235	2.0
151.03867	2.1
155.10632	4.7
159.07906	1.4
161.05949	3.1
163.03906	8.2
163.07547	1.0
175.14769	8.7
177.05438	2.0
177.16385	4.7
179.07007	6.8
189.05450	15.9
192.04233	2.6
193.04935	10.9
193.14273	1.1
193.15845	16.5
201.05475	8.0
203.06989	8.5
205.04935	100.0
206.05573	8.5
207.06429	1.6
213.05446	1.7
217.04942	13.1
217.08476	2.3
219.06456	2.9
221.07988	1.2
227.06996	3.7
229.04935	3.6
230.05634	1.2
231.02844	2.9
231.06503	19.1
235.05978	76.1
236.06270	2.2
243.06519	2.6
243.11679	1.1
245.08110	10.8
255.06537	4.9
259.03244	1.6
259.05994	34.2
271.05911	12.1
273.07504	1.5
283.05914	10.2
289.07013	24.3
299.14935	3.4
301.07065	15.2
301.18103	1.3
305.08252	1.5
319.08084	15.9
325.10587	1.5
337.09152	11.2
337.20032	3.1
355.10098	9.5
355.17395	1.9
355.21207	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	355.102
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
55.01869	1.1
57.03407	1.5
67.05476	1.0
69.03419	1.1
69.07056	1.1
70.06577	1.6
71.47907	1.7
72.08157	1.9
77.03873	1.0
79.01847	2.4
79.05476	0.9
81.03375	1.5
84.08138	2.3
85.02888	2.4
86.09682	1.0
91.05820	1.9
93.06985	0.9
95.04902	1.5
95.08617	1.0
97.02831	0.8
98.81645	0.8
107.04951	1.1
109.02859	1.7
110.07140	1.2
111.59269	0.9
119.04854	1.3
119.08532	1.2
120.08023	0.9
129.10197	1.2
133.02834	12.0
135.04373	2.1
137.05936	5.9
145.02887	1.9
147.04382	2.0
148.83316	0.9
149.05911	4.9
150.06766	1.0
151.03911	2.3
161.02333	0.9
161.05881	1.1
163.03850	9.1
165.05472	6.1
175.03940	2.2
175.80792	0.8
177.05481	4.4
178.02637	5.4
178.06238	4.8
179.07072	1.4
180.07780	1.8
181.05046	4.6
181.06332	1.3
187.03966	1.1
189.05492	1.8
193.04939	71.2
194.05292	1.6
201.05429	7.8
203.07132	2.0
205.04936	81.1
206.05701	36.2
207.06316	3.1
211.05943	1.4
211.10606	1.1
217.04945	15.2
219.03113	4.6
219.06479	16.7
219.08432	1.6
227.07079	1.6
229.04939	2.1
230.05699	4.9
231.06549	6.6
233.04471	4.3
235.05983	100.0
236.06325	2.9
243.02905	2.0
243.06593	1.5
245.04378	2.1
245.05428	1.4
245.08064	20.8
247.05972	4.9
249.07376	2.0
259.05984	25.3
261.03958	4.3
265.07010	3.3
271.06046	2.0
273.07538	8.6
289.07037	23.7
297.11716	1.1
301.07034	12.4
319.08090	27.5
337.09106	34.4
338.09174	1.2
355.10178	93.1
356.10388	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	355.1018
Annotation	ST077074
Peak:m/z	Relative Intensity
55.01857	0.3
59.04981	0.6
63.02386	0.2
63.18806	0.3
69.03419	0.3
69.07035	0.3
70.06575	0.6
71.78548	0.3
71.78928	0.3
72.08150	0.3
73.04739	0.3
79.05476	0.5
81.03371	0.4
84.04459	0.4
84.08132	0.5
85.02888	0.9
89.03913	0.6
91.05383	0.3
91.05799	0.3
95.04906	0.3
95.08592	0.3
97.02908	0.5
105.03383	2.3
105.06985	0.3
107.04916	0.6
109.02838	0.4
109.06551	0.3
117.03364	0.5
119.04899	0.5
119.19718	0.3
120.08041	0.3
122.03593	0.8
127.03884	0.6
133.02826	16.0
134.03195	0.3
135.04381	1.1
137.05960	5.5
145.02852	0.4
147.04408	0.5
149.05980	1.3
150.03075	0.8
151.03854	0.7
161.02344	0.4
161.05904	0.5
163.03886	3.6
165.05408	1.9
175.03871	0.6
177.05450	0.4
178.02576	8.6
179.06955	0.5
189.05386	1.6
192.06447	0.4
193.04933	100.0
194.05257	3.3
194.07991	0.3
201.05432	2.2
203.06961	0.8
205.04910	9.3
205.06795	0.5
206.05527	1.0
217.04941	1.3
229.05026	0.4
231.06464	1.8
235.02411	0.3
235.05965	6.9
236.81149	0.3
243.06590	0.4
245.08049	1.0
255.06569	0.3
259.05994	3.5
271.05887	1.1
283.06006	0.8
285.00980	0.3
289.07068	2.5
297.79883	0.3
301.06866	1.4
305.08142	0.4
319.08014	1.6
323.09009	0.3
337.09229	0.9
355.10370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.336
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05503	22.1
56.05030	2.1
57.05796	3.2
57.07064	25.0
58.02936	4.2
58.06313	1.7
58.06589	29.3
60.04524	5.6
64.61843	1.1
65.15163	1.0
67.05493	13.5
69.07056	33.6
69.44894	3.1
69.45320	9.5
70.02927	5.4
70.06574	13.5
71.04973	2.4
71.08623	14.5
72.04499	4.6
72.08141	1.4
74.06065	5.9
79.05475	3.9
81.07040	24.5
81.87393	1.2
82.06555	4.0
83.04937	1.5
83.08599	21.9
84.04499	1.2
84.08120	9.8
85.10150	4.9
86.06052	8.5
87.06815	2.1
88.07606	1.3
93.07022	4.1
94.06503	1.3
95.04916	1.7
95.08585	26.8
96.08085	1.6
97.06525	1.7
97.10151	12.8
98.06066	0.9
98.09692	2.0
98.63960	1.0
98.64600	1.0
100.07614	1.3
105.06998	1.2
107.08569	3.3
108.08102	1.6
109.06509	1.7
109.10127	13.9
111.11688	5.2
112.07557	1.6
119.08501	1.3
121.10175	1.3
123.08044	1.5
123.11688	3.9
137.13197	2.6
140.10654	1.1
165.16307	1.1
171.61378	1.3
178.29391	1.1
181.64061	1.0
187.09314	0.9
268.30029	2.4
282.31537	1.3
294.31519	5.6
306.31537	3.5
307.29898	3.7
308.33032	5.8
309.03299	1.3
326.34277	7.3
336.32553	15.1
354.33600	100.0
355.34204	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	354.2633
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03925	2.0
53.39258	1.0
55.01860	1.7
55.05493	6.5
57.03421	8.4
57.07084	1.8
61.94656	1.1
62.06079	100.0
67.05494	17.5
69.03413	3.2
69.07061	10.3
69.08295	1.0
70.06564	1.5
71.04987	8.9
71.16230	2.6
71.16586	1.3
79.05486	20.8
81.03397	3.2
81.07043	20.9
82.06569	2.2
83.04961	3.9
83.08602	5.1
84.08128	1.2
85.02886	1.9
85.06535	2.6
87.02704	1.2
91.05439	12.6
93.07030	26.5
95.04955	4.1
95.08590	18.9
96.08104	4.0
97.06537	7.3
97.10123	1.8
98.06045	2.6
99.04446	2.5
99.08064	1.4
100.07603	2.7
105.07007	14.7
107.04919	3.4
107.08580	17.7
109.06497	4.3
109.10154	7.2
109.28419	1.0
111.08072	5.2
111.11744	1.2
114.09162	6.6
117.07013	4.3
119.08555	12.9
121.06461	1.3
121.10138	14.7
123.08015	2.5
123.11672	1.5
124.11219	2.9
124.12048	1.4
125.09627	2.0
128.05280	2.2
128.06148	1.4
129.06964	2.0
130.05037	1.5
130.06862	2.4
131.08568	8.8
133.06494	1.7
133.10103	8.2
134.10469	1.1
135.08031	3.0
135.11670	3.3
137.13252	1.6
138.12770	8.1
139.11148	2.3
142.06897	1.5
143.08597	3.9
145.10110	7.5
146.10440	1.6
147.11650	6.7
149.09595	3.0
149.13245	1.5
154.06799	2.0
154.12242	1.6
155.08476	2.1
157.10080	4.0
159.11705	5.7
160.09708	6.5
161.13202	4.8
163.11116	1.2
171.11656	2.3
173.09703	1.8
173.13274	7.3
175.14844	1.4
182.15450	1.7
183.11633	2.3
184.13252	2.3
185.13248	4.2
187.14771	3.3
189.12711	1.4
196.13338	3.5
197.13260	1.5
199.14824	1.8
201.16391	1.4
203.14291	2.0
205.15907	1.4
210.14877	14.0
211.14835	1.9
214.14377	2.6
215.17911	2.4
219.17451	1.5
226.17995	2.2
228.15892	15.0
239.17969	2.7
246.16949	1.1
248.20010	2.7
257.09537	2.1
257.19064	2.8
259.11139	3.7
262.21649	1.7
264.19681	1.6
266.21149	6.6
275.20120	7.9
277.08759	1.3
280.22507	2.7
285.08911	2.6
293.21353	1.5
313.25168	1.4
318.24228	11.3
336.25269	88.2
337.25891	6.0
354.22632	2.7
354.26172	30.1
355.16632	3.7
355.22577	1.6
355.26294	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	354.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.1
56.64582	0.7
57.07053	1.7
58.06584	1.2
66.73879	0.8
67.05495	6.5
68.05000	3.2
69.07052	15.6
71.08619	2.1
72.04501	0.9
72.08127	3.9
79.05469	2.5
80.04967	0.9
81.07058	5.8
82.06069	1.6
82.06565	30.5
83.04974	4.8
83.08587	2.2
84.08139	4.6
86.09694	49.7
91.05430	2.1
93.07021	3.6
94.06554	16.6
95.04949	4.0
95.08591	4.0
95.17310	0.8
96.08103	4.3
97.06519	2.7
98.20654	1.6
105.07006	4.5
107.07328	0.9
107.08587	4.0
108.08108	9.1
109.10137	4.0
110.06024	73.5
111.06348	1.1
114.09147	6.3
119.08615	1.9
120.08110	1.6
121.07595	1.0
121.10142	1.2
122.06017	8.4
122.09652	1.9
123.09188	1.4
123.11668	1.3
127.08649	4.4
129.10196	1.0
131.08473	1.1
131.11778	2.4
132.10161	2.1
133.10129	4.8
133.51141	0.8
135.10451	1.1
135.11652	1.4
136.07541	1.7
139.08580	2.3
145.10049	1.3
147.11658	1.1
149.07065	1.1
149.09592	2.0
150.12762	27.4
152.14287	2.3
154.15868	1.0
160.11157	1.0
162.12776	4.3
163.64632	0.9
168.13829	4.5
177.13858	3.5
178.12248	40.2
179.12576	0.9
179.15434	2.8
180.13818	3.6
188.07761	0.8
195.14905	63.9
196.13344	12.9
196.15114	1.5
201.05441	1.7
207.14903	4.5
208.13304	0.9
209.29375	0.8
223.14383	26.2
224.12662	1.4
226.14304	1.2
235.21684	8.2
241.15436	87.0
242.15788	2.0
245.20058	4.0
263.21149	49.0
264.21405	1.0
278.67459	0.8
291.20718	1.8
298.17532	1.6
309.21671	100.0
310.21863	5.0
336.22546	1.2
337.21167	3.6
354.23810	65.6
355.11588	0.9
355.15759	1.0
355.24008	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	354.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67002	0.3
51.85293	0.3
53.00218	0.3
53.03935	0.5
54.59186	0.2
55.01846	0.7
57.03414	0.8
59.01378	0.3
61.02913	1.8
69.03417	3.6
70.84073	0.6
70.84414	0.4
71.04970	0.5
73.02876	0.9
75.29762	0.3
76.59865	0.3
81.03388	1.7
83.01331	0.3
85.02888	8.6
87.04446	0.3
91.03967	0.6
97.02868	3.7
99.04436	0.6
109.02856	1.1
116.34875	0.3
118.06468	0.3
127.03863	1.6
132.05582	0.5
133.06340	0.4
145.04945	1.0
146.05977	1.6
160.05034	73.0
161.05441	2.8
174.05476	2.8
188.07042	1.0
192.07654	100.0
193.04816	0.3
193.08028	3.8
199.31114	0.3
216.06606	0.4
288.41818	0.3
322.10535	0.3
354.12845	11.3
355.13174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.7
57.07069	1.4
67.05491	8.3
68.05002	3.6
69.07055	14.3
70.80709	3.4
70.81067	1.6
71.08611	1.6
72.08135	4.9
79.05483	3.2
81.07061	7.0
81.67149	1.3
82.06565	30.8
83.04974	3.4
83.08617	1.7
84.08125	4.9
86.09161	2.7
86.09692	50.6
87.10060	1.3
91.05436	2.4
93.07020	3.2
94.06554	21.2
94.57278	1.1
95.04947	5.5
95.07336	1.6
95.08580	3.3
96.08131	5.7
96.37717	1.2
97.06497	2.5
101.55761	1.2
105.06998	4.3
107.08574	4.9
108.08088	9.4
109.10133	5.2
110.06027	69.2
114.09152	5.1
119.08570	2.1
120.08100	1.5
121.10082	2.1
122.06002	9.4
123.11680	2.4
127.08663	3.6
129.10263	1.6
133.10107	4.7
135.10400	1.8
135.11700	1.6
135.74687	1.3
136.07552	2.1
139.08649	2.6
145.10066	2.6
149.09529	2.0
150.12758	25.3
152.14323	1.7
154.06882	1.9
162.12750	4.7
164.19815	1.3
168.13809	4.0
177.13829	3.6
178.12234	41.9
179.12679	2.4
179.15414	4.7
180.13901	2.6
195.14903	57.5
196.13350	14.2
196.15097	1.7
207.14928	4.6
223.14378	27.6
235.21681	5.4
241.15440	89.1
242.15753	3.8
245.20177	3.6
252.14322	1.8
257.09457	2.1
263.21140	47.2
264.21295	3.6
265.22693	1.7
308.23328	1.4
309.21680	100.0
310.21979	5.1
337.21185	4.4
342.36615	1.2
354.23819	62.6
355.16730	2.8
355.23950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1178
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03938	1.0
53.92114	0.5
55.01859	1.1
57.03419	1.7
60.04533	0.6
61.02911	1.7
64.68488	0.5
67.05472	0.9
69.03157	0.5
69.03419	5.5
69.07040	1.4
70.06583	6.0
71.04976	2.1
71.78695	1.0
72.08135	1.4
73.02911	1.2
73.04736	1.1
79.05460	1.4
81.03424	3.2
81.07005	0.9
83.04977	0.8
84.04472	1.8
84.08121	2.8
85.02894	12.6
85.06511	0.9
86.09694	1.5
87.04463	0.7
89.03900	1.7
91.05844	3.1
93.06984	0.6
95.04955	1.3
96.04429	1.0
96.08122	0.7
97.02876	6.5
97.06510	1.2
98.06048	0.9
99.04422	1.1
101.02339	1.6
101.05991	0.5
103.03893	1.1
105.03386	1.4
107.04912	1.6
108.08116	0.6
109.02834	2.1
110.06017	0.8
110.07158	1.8
112.07676	0.6
113.05991	8.4
114.09169	1.4
115.07564	2.5
116.07079	0.9
117.03373	1.6
118.06532	2.4
119.04937	1.5
120.08112	1.4
121.02820	0.6
121.06477	0.7
124.07576	1.1
127.03896	3.6
127.08616	0.8
128.04956	1.2
129.09096	1.0
130.04987	1.1
130.06516	1.9
131.06985	2.9
132.04427	1.9
132.08061	1.7
133.02826	1.0
134.07123	0.8
135.04390	3.1
137.05991	1.5
139.07556	1.0
145.02843	1.7
145.05019	1.8
146.05986	100.0
147.03267	0.7
147.04382	2.4
147.06337	3.6
147.07494	0.8
151.03906	0.7
152.07001	1.0
156.07808	0.8
157.08604	2.2
158.06065	1.0
159.06709	0.7
160.05051	34.0
160.07457	3.9
163.03888	18.2
164.07101	1.0
165.05460	0.7
166.08568	1.1
170.05980	4.2
174.05484	29.5
175.03897	0.9
175.05855	1.0
175.09656	2.2
177.05469	1.1
178.02603	1.8
178.04935	0.8
180.07852	1.0
182.08109	0.6
184.07578	2.7
184.39267	0.6
188.07033	45.5
189.07396	1.7
192.06509	44.5
192.07750	35.9
193.04979	15.3
193.06816	2.5
193.08267	0.9
196.07523	1.7
201.05507	1.5
205.04922	1.7
212.07010	5.3
216.06525	3.8
217.04884	0.7
219.02922	1.0
219.06564	0.9
224.07018	0.7
233.09970	0.7
234.07602	6.6
235.05974	2.0
240.06546	1.4
242.08197	0.7
254.08098	1.2
258.07626	2.3
270.07495	2.7
285.00949	1.8
290.50385	0.6
309.43515	0.6
319.08163	1.3
337.09290	1.1
354.00671	0.7
354.12766	6.1
355.00943	0.8
355.06580	1.1
355.10529	1.1
355.11307	0.8
355.16110	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	2.6
53.54597	0.8
55.01856	0.8
55.05506	13.1
57.03428	6.7
57.07067	4.7
63.34542	1.0
65.03923	2.9
67.05498	91.4
67.52626	0.8
68.05820	1.5
69.07053	12.3
70.10859	1.5
70.11274	3.7
71.04968	2.8
71.08603	2.4
75.04455	1.8
79.05007	1.5
79.05484	41.6
81.07047	100.0
82.07376	1.5
83.04950	1.6
83.08609	7.5
85.06513	3.0
91.05470	19.7
93.07034	55.3
94.07338	0.9
95.04953	3.6
95.08598	72.1
96.08925	2.5
97.06512	3.0
97.10146	3.6
99.08079	2.8
105.07027	16.9
107.08582	34.2
109.06496	1.2
109.10144	39.0
110.10448	1.1
111.08037	1.4
111.11719	1.2
113.09615	1.7
117.07006	7.3
119.08579	16.2
121.10136	33.5
122.10400	1.0
123.08053	1.8
123.11695	20.0
125.09631	1.4
131.07635	1.8
131.08554	18.2
133.10114	15.2
134.10416	1.0
135.08034	1.1
135.11674	28.4
136.11981	1.3
137.09564	1.7
137.13257	6.6
139.11188	1.1
145.10095	15.1
147.11665	12.5
149.13245	18.4
150.13602	1.1
151.11194	2.0
151.14793	2.3
153.12756	1.3
159.11685	14.3
161.13260	7.3
163.11195	1.7
163.14793	11.3
165.12752	1.8
173.13229	15.9
175.14804	4.5
177.12727	1.7
177.16356	4.7
179.14372	0.8
185.13161	1.2
187.14801	8.7
189.16431	1.2
191.14273	1.6
201.16364	2.9
203.18001	0.9
205.15918	1.3
215.17961	1.5
217.19638	1.0
233.22649	3.7
243.21054	23.4
244.21390	2.0
247.30838	0.9
255.28484	0.9
261.22116	84.6
262.22372	4.8
279.23105	5.5
335.25720	12.8
336.25970	1.1
353.27103	27.9
354.27115	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07721	1.0
53.03930	1.9
55.05508	12.4
57.03424	4.1
57.07067	3.8
64.80382	1.0
65.03917	1.9
67.05498	72.5
67.39941	1.1
68.05824	1.2
69.07059	13.1
69.68584	7.6
71.04987	2.9
71.08611	1.8
75.04476	1.5
79.05018	1.8
79.05482	36.8
81.07047	81.4
82.07398	2.0
83.08609	8.2
85.06509	2.5
91.05463	18.1
93.07036	48.8
95.04945	3.5
95.08595	61.4
96.08916	1.4
97.06517	2.8
97.10163	4.4
98.20632	1.9
99.08082	2.8
105.07008	16.1
107.08581	33.4
108.08899	1.4
109.06494	2.3
109.10146	34.8
111.08015	1.1
113.09618	1.5
117.06995	7.7
119.08582	15.4
121.10124	26.7
123.08071	1.4
123.11703	18.7
124.71418	1.0
131.08548	17.5
133.10120	12.0
135.11676	24.9
136.11922	1.1
137.13249	9.0
145.10109	14.1
147.11676	12.6
149.13245	20.5
150.13576	1.3
151.11176	1.7
151.14804	2.6
159.11673	13.7
161.13223	10.2
163.14792	13.5
165.12726	2.2
173.13243	13.4
175.14822	4.7
177.16364	6.0
179.14238	1.6
187.14793	9.2
189.16441	1.6
191.14276	1.1
201.16391	4.1
209.29997	1.1
215.17993	1.2
233.22676	4.9
238.47325	1.0
243.21051	24.9
244.21423	1.9
261.22113	100.0
262.22525	5.7
263.23895	1.3
279.23196	4.7
335.25885	6.5
336.26187	1.3
353.26828	32.8
354.27048	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01860	5.3
55.05506	49.6
57.03427	17.7
57.07074	10.2
59.05000	1.8
63.29771	1.8
65.03912	2.9
67.05496	90.5
69.03413	2.7
69.07059	52.7
71.04988	6.5
71.08625	44.4
71.80040	2.7
71.80424	2.0
72.08164	2.0
79.05482	43.2
79.05920	3.1
81.07047	94.6
82.07394	2.7
83.04956	7.1
83.08610	27.4
83.09069	3.4
85.06532	5.0
91.05462	22.7
93.07036	54.8
95.04967	5.4
95.07991	4.5
95.08596	81.0
96.08932	2.5
97.06517	9.2
97.10162	18.7
99.08084	40.5
104.23758	1.9
105.07014	25.7
107.08584	49.3
109.06504	3.8
109.10153	43.2
111.08092	4.1
111.11710	3.4
117.07016	10.5
119.08575	61.8
121.10129	26.7
123.08084	3.3
123.11703	15.2
125.09634	11.7
127.11194	2.5
129.06993	2.1
131.08559	14.9
133.10126	16.3
135.08020	3.9
135.11685	26.9
137.13237	9.0
143.08546	4.4
144.98013	2.1
145.10117	15.7
147.11674	28.2
149.09613	4.6
149.13249	15.6
151.11209	2.2
151.14792	3.1
153.09149	2.9
153.12738	8.8
157.10136	4.7
159.11708	13.1
161.13258	9.6
163.11235	3.3
163.14806	14.2
165.12747	6.0
167.14258	2.3
169.10033	2.2
171.11732	3.4
173.11702	4.9
173.13269	13.8
175.14853	4.9
177.16382	4.2
181.15872	3.6
183.11732	1.9
185.13243	3.4
187.14777	10.8
189.11253	12.0
201.16434	3.8
202.15857	3.2
223.14874	3.0
223.16957	2.7
233.22603	4.1
237.16460	3.2
239.41769	1.8
243.21033	17.2
261.22116	40.6
262.22531	2.4
279.23190	34.6
297.24493	2.6
307.24207	9.1
335.26392	3.6
353.27078	100.0
354.27161	7.0
354.33566	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03919	3.0
54.58640	1.7
55.05499	12.9
57.03418	5.5
57.07062	2.2
59.67144	1.5
65.03925	3.8
67.05495	97.5
67.74162	1.7
68.05844	2.5
69.07062	12.7
70.31080	5.7
71.05022	1.8
79.05485	43.3
81.07046	100.0
82.07370	3.1
83.08596	7.7
85.06512	4.6
91.05468	21.7
93.07032	57.4
94.07328	1.7
95.04962	2.5
95.08593	79.0
96.08940	2.5
97.06506	2.7
97.10149	3.3
97.27628	1.6
99.08076	2.0
105.07021	15.1
107.08572	38.5
109.06564	1.5
109.09408	2.1
109.10144	40.6
112.26318	1.5
117.07018	8.6
119.08570	14.9
121.10122	32.6
123.11695	20.6
131.08539	18.6
133.10126	12.7
135.11668	25.9
137.09528	2.7
137.13239	9.5
145.10115	18.9
147.11705	13.3
148.24681	1.6
149.13252	20.6
151.14827	2.5
159.11678	13.3
161.13246	9.7
163.14822	10.4
173.13214	11.7
175.14857	3.8
176.67555	1.6
177.16338	6.5
179.14314	2.4
187.14819	10.6
195.13916	1.7
205.15811	2.0
205.30621	1.6
206.00462	1.9
233.22543	3.3
243.21068	29.9
261.22110	84.0
262.22284	4.7
277.78244	1.8
279.20609	2.0
279.23038	7.7
307.67325	1.6
335.25806	15.8
353.26828	34.6
354.27225	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	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.0
55.05505	10.8
56.42404	0.8
57.03421	3.5
57.07067	5.3
65.03932	2.1
67.05492	75.4
68.05824	1.3
69.03407	1.0
69.07054	11.2
71.04975	2.7
71.08617	1.9
71.25482	0.7
75.04464	0.9
78.97768	0.8
79.05479	38.4
81.07040	84.4
82.07352	1.2
83.04956	1.6
83.08601	7.6
85.06526	3.1
85.10162	1.4
87.97942	0.8
91.05456	18.9
93.07026	52.7
94.07333	1.0
95.04951	2.2
95.08588	61.9
96.08932	1.5
97.06523	3.1
97.10162	2.8
99.08076	3.1
105.07003	15.8
107.08573	38.9
108.08912	2.0
109.06474	1.1
109.10139	30.9
111.08040	1.5
113.09605	1.8
117.06998	8.3
119.08553	13.0
121.10121	31.7
123.08012	1.1
123.11695	19.1
124.12057	0.9
125.09590	1.2
131.08539	20.7
132.08893	0.9
133.10101	14.7
135.11667	26.8
136.12007	1.0
137.09631	1.9
137.13237	5.8
145.10100	14.0
147.11661	11.7
149.09593	0.7
149.13232	20.4
151.14803	2.8
153.12784	1.1
159.11670	16.8
161.13213	10.8
163.11192	0.9
163.14789	13.1
165.12727	2.2
173.13223	15.5
174.13611	0.9
175.14845	3.4
177.12706	1.3
177.16295	5.5
179.14346	1.9
185.28659	0.7
187.14751	8.1
189.16422	0.9
191.14130	1.0
192.63564	0.9
201.16310	3.8
205.15779	1.3
215.17850	1.5
217.19453	0.9
219.17450	1.7
223.17009	0.9
231.56075	0.9
233.22588	4.7
243.21040	27.4
244.21446	1.3
261.22089	100.0
262.22388	5.4
263.23630	1.4
279.23157	4.8
281.87900	0.9
302.04590	0.8
317.24707	1.0
335.25720	9.0
353.26831	32.2
354.27185	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
54.16973	0.6
55.01860	1.1
55.05499	13.1
57.03432	2.4
57.07061	5.4
65.03927	2.6
67.05492	75.8
68.05824	1.7
69.07053	12.3
70.97382	1.3
70.97749	1.4
71.04979	2.7
71.08618	2.6
72.08981	0.7
75.04459	1.5
79.05478	40.1
80.05827	1.0
81.07041	85.1
82.07381	1.8
83.04979	1.0
83.08605	7.4
85.06535	2.8
89.18246	0.6
91.05464	21.5
92.05756	0.7
93.07027	58.2
94.07334	1.7
95.04945	3.0
95.08589	62.7
96.08912	1.6
97.06472	3.2
97.10138	3.3
99.08071	2.6
105.07013	15.1
107.08575	37.4
108.08898	1.0
109.06528	1.8
109.10140	35.1
110.10491	1.6
111.08098	1.4
111.11670	0.8
113.09644	1.5
117.07008	8.5
119.08559	14.0
120.08885	0.7
120.69098	0.6
121.10125	31.8
121.89087	0.6
122.10438	0.9
123.08076	2.1
123.11691	17.9
125.09569	1.4
127.11200	0.8
129.06975	1.0
131.08543	19.5
132.08839	1.0
133.10107	13.5
135.11671	25.1
137.09587	1.8
137.13220	7.7
139.11147	1.7
145.10098	16.2
147.11662	8.7
149.09630	0.9
149.13228	20.4
150.13507	0.7
151.11143	1.4
151.14806	2.1
153.12770	1.8
157.10143	0.8
159.11668	13.2
160.12009	1.0
161.13231	8.8
163.11185	1.3
163.14780	13.7
164.15109	1.1
165.12755	2.4
167.14252	0.6
167.20026	0.6
173.13231	14.5
175.14784	4.7
177.12772	0.9
177.16412	4.8
179.02249	0.7
179.14326	2.3
187.14801	8.9
189.16272	0.8
191.14363	1.1
194.25955	0.9
201.16335	4.0
202.70868	0.6
205.15852	2.0
215.17906	1.4
219.17348	1.1
233.22630	3.1
243.21049	26.7
244.21411	1.7
254.21266	0.7
261.22101	100.0
262.22391	6.9
263.23694	1.2
279.23285	3.4
291.23184	1.1
317.24850	1.0
335.25775	9.0
336.25894	0.9
353.26825	40.2
354.27090	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03916	3.1
55.01857	2.2
55.05497	13.9
57.03432	2.7
57.07061	6.3
59.26967	1.6
61.06807	1.7
65.03924	2.8
67.05495	77.3
69.07057	17.9
69.76309	14.2
70.06582	3.5
71.04987	2.2
71.08624	4.3
74.37194	1.7
78.34747	1.8
79.05016	3.0
79.05479	57.8
81.07044	84.7
83.04958	2.6
83.08589	8.6
83.37754	1.6
85.06528	5.3
85.43922	1.6
88.07623	1.7
91.05466	31.6
93.06413	2.3
93.07027	72.6
95.04951	5.9
95.08591	77.7
96.08930	2.3
97.06529	4.2
97.10167	3.8
99.08069	5.4
102.39671	1.8
105.07006	30.2
107.08573	52.3
109.06483	2.8
109.10135	31.4
109.12703	1.8
113.09601	3.6
115.05479	2.0
116.97221	3.0
117.06999	13.9
119.08544	26.2
121.10127	41.2
122.10449	2.3
123.08070	3.0
123.11705	10.8
129.06999	5.2
131.08543	29.2
133.10110	18.6
135.08064	1.8
135.11664	34.6
137.09615	4.0
137.13237	9.3
139.11139	2.3
139.98805	3.4
141.06947	2.5
143.08531	5.2
145.10109	18.4
147.11665	14.6
149.09541	3.7
149.13226	24.4
151.14827	5.2
155.08560	3.5
157.10101	5.8
159.11667	18.6
161.13231	15.8
163.14777	19.5
166.51108	1.6
167.08643	2.0
169.10146	4.8
171.11697	7.2
173.13228	16.6
175.14816	5.1
177.12741	2.8
177.16330	9.7
183.11746	3.4
185.13258	5.3
187.14775	12.2
191.14363	2.9
197.13263	3.2
201.16223	4.1
203.14352	2.0
211.14838	3.2
213.12733	1.9
233.22581	5.5
233.61670	4.9
240.87885	1.5
243.21049	36.7
261.22110	100.0
262.22458	5.9
279.23129	2.3
307.24179	2.5
335.25870	5.2
353.24292	39.6
354.25568	3.3
354.33508	8.3
368.27100	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.33446	0.7
52.64651	0.8
53.03943	2.1
55.01873	0.9
55.05502	13.1
57.03424	5.6
57.07074	3.9
65.03943	1.7
67.05495	95.9
68.05817	1.7
69.07058	14.1
69.62341	6.6
71.04987	2.4
71.08630	2.1
75.04480	1.5
77.03928	0.9
79.05481	40.4
80.05791	1.2
81.07043	100.0
82.07381	1.6
83.04977	1.3
83.08606	8.0
85.06521	3.4
91.05463	20.5
92.05785	0.8
93.07029	54.8
95.04950	3.1
95.08591	74.6
96.08929	1.9
97.06518	2.9
97.10153	3.9
97.85283	0.6
99.08092	2.9
100.09942	0.7
105.07013	15.0
107.08572	35.6
108.08915	0.8
109.06493	1.4
109.10139	41.3
110.10463	1.6
111.08076	2.0
113.09609	1.5
117.06995	7.2
119.08563	15.4
121.10125	30.4
122.10443	1.7
123.08069	2.0
123.11686	21.2
124.12062	0.7
125.09623	1.0
129.05501	1.1
131.08551	17.3
133.10104	14.5
135.11670	27.1
136.11993	1.6
137.09584	1.6
137.13220	9.6
139.11182	1.6
145.10104	15.8
146.10431	1.0
147.11665	11.2
149.09578	1.0
149.13232	22.1
150.13525	0.8
150.42081	0.7
151.11189	1.7
151.14809	2.8
153.12743	1.6
159.11670	14.8
160.11995	1.0
161.13245	9.1
163.14792	15.7
165.12704	2.0
169.93590	0.8
171.11716	1.1
173.13225	16.3
175.14728	3.7
177.12767	2.1
177.16350	5.2
179.14310	1.3
187.14815	9.3
191.14299	2.4
201.16379	3.4
205.15921	1.6
209.15465	0.9
215.17952	1.5
219.17429	1.2
233.22546	3.9
243.21043	27.1
243.23541	1.5
244.21373	2.0
261.22104	96.4
262.22424	6.0
263.23703	0.9
265.86276	0.8
279.23102	5.7
317.24704	1.2
335.25769	16.1
336.26196	1.1
353.26837	34.5
354.27054	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.07058	1.0
59.04964	0.9
60.04509	1.0
67.05477	1.1
69.03402	1.5
69.07048	5.5
70.06569	1.2
71.03506	1.5
71.04991	0.9
72.08144	1.1
79.05460	1.0
81.03440	0.8
81.07048	5.0
84.08117	0.8
85.02897	2.6
85.06525	4.4
86.09693	100.0
87.10026	1.9
91.05482	0.7
95.08598	3.7
97.02898	1.2
99.04455	1.0
99.08083	1.3
103.01537	0.7
103.03822	1.2
109.02828	0.9
120.08041	0.9
127.03880	1.0
128.10698	85.1
129.11057	1.7
131.04909	1.2
132.10185	19.6
134.55832	0.8
136.07611	0.9
137.13203	0.8
155.14267	5.4
156.10170	22.7
156.11369	1.2
157.87340	0.7
160.05031	5.3
163.22299	0.7
173.15367	2.0
174.11234	77.2
175.11569	2.5
177.05373	1.0
191.16385	2.6
192.07715	6.4
233.09442	1.1
251.01843	0.9
353.13516	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	353.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.6
53.37706	3.0
55.01854	6.9
55.05506	16.4
57.03413	10.5
57.07050	4.6
61.02911	4.6
67.05496	16.5
69.03082	4.9
69.03420	50.0
69.07053	24.6
70.06573	8.3
71.04973	19.8
71.78995	4.2
72.08118	3.1
73.02900	7.4
79.05492	17.0
81.03401	20.8
81.07043	25.9
83.04967	25.5
83.08596	5.4
84.08121	6.1
85.02888	35.2
85.06487	3.6
86.09720	4.0
91.05453	21.4
93.07031	27.0
95.04963	16.5
95.08602	25.7
96.08120	5.1
97.02857	20.6
97.06484	9.2
99.04428	11.5
103.03896	3.2
103.05451	4.9
105.06983	21.9
107.04936	15.2
107.08573	51.6
109.02872	9.7
109.05819	3.3
109.06481	14.9
109.10140	44.5
111.04430	5.2
111.08047	9.0
113.09631	4.8
113.45607	3.1
114.09153	22.1
115.03889	2.9
115.09476	8.3
117.06993	7.2
119.08571	21.6
120.08051	3.9
121.02854	4.7
121.06484	13.6
121.10136	35.9
122.07259	4.6
123.04411	4.2
123.08030	11.6
123.11695	7.7
125.05968	3.5
127.03889	28.5
129.05441	4.6
129.06938	3.6
131.04929	6.0
131.08522	17.7
133.06436	5.6
133.10101	90.5
135.04404	5.8
135.08032	18.1
135.11652	22.5
136.05078	3.9
137.05972	9.4
137.09583	54.4
139.07480	4.5
139.11182	6.8
143.08553	6.9
145.04930	11.2
145.06465	3.6
145.10109	10.7
147.04301	4.4
147.08090	6.8
147.11707	16.5
148.33592	3.3
149.09590	21.9
149.13240	34.2
151.07527	5.0
151.11160	32.8
151.14697	3.7
153.09058	4.5
159.11609	4.8
160.09689	14.4
161.05972	6.2
161.09842	12.1
163.11165	5.3
163.14804	10.4
167.07010	23.4
171.07996	4.6
171.11597	5.4
171.29254	2.9
173.09572	8.2
173.13211	17.8
175.11176	6.1
175.14815	8.8
177.05374	4.4
179.06972	5.4
180.04037	3.0
187.11150	7.1
189.07558	4.1
189.12721	6.3
191.06998	18.6
191.10632	6.6
191.14276	100.0
192.04048	7.4
193.15865	14.7
199.07468	3.6
209.15254	16.1
213.05319	3.0
215.08987	6.5
231.07817	3.3
231.13792	3.5
233.15361	6.7
245.15334	4.6
247.07434	4.3
261.09039	8.6
274.06052	3.1
275.16400	12.3
278.09323	4.4
289.08588	10.9
291.10120	4.0
293.12036	13.6
299.16452	6.7
302.67642	3.1
307.09610	4.1
307.20721	4.0
317.17249	10.0
321.11060	10.8
335.13345	12.0
335.18500	28.4
353.14105	34.4
353.21091	24.3
354.14893	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26484	1.7
51.46001	1.5
55.01857	7.1
55.05503	21.3
56.96538	4.5
57.03413	3.7
57.07065	25.1
67.05494	73.3
69.06725	2.7
69.07055	30.3
70.06571	8.7
71.04975	3.1
71.08621	19.1
71.79958	2.5
72.08125	4.0
79.05464	15.5
81.07043	93.0
83.04968	6.2
83.08620	20.3
85.06514	2.8
88.16988	1.8
91.05455	8.1
93.07014	17.6
94.57425	1.9
95.04949	2.3
95.08590	90.7
96.08917	2.3
97.06531	3.5
97.10179	8.8
105.06998	6.4
107.08559	10.1
109.06491	1.9
109.10145	41.9
111.08067	2.6
111.11707	4.1
115.08677	12.3
119.08579	5.0
121.10112	15.2
123.11684	24.5
131.08560	3.6
133.10127	5.5
135.11652	8.2
137.09572	2.7
137.13237	13.1
141.12767	8.4
145.10124	4.9
147.11664	4.9
149.13225	3.8
151.14827	5.0
153.12717	4.7
159.11653	4.0
161.13235	8.0
163.11188	2.6
163.14842	3.0
165.16370	2.1
173.13263	3.6
175.14729	2.7
177.16338	2.7
179.14270	3.9
179.17931	2.4
181.12190	1.9
187.14838	4.2
195.17407	3.8
212.20108	3.0
221.18999	2.4
225.18394	1.9
237.18420	3.6
250.29236	2.0
251.20108	4.7
262.75201	1.9
299.27353	3.0
307.30106	3.6
317.28348	10.6
335.29398	100.0
336.29633	2.9
352.27887	3.0
352.32062	31.0
353.32193	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81819	0.7
53.03923	0.9
55.01900	1.0
55.05494	1.2
55.56413	1.0
57.03397	0.9
59.04961	1.3
69.03422	1.8
69.07057	4.3
70.06578	1.0
70.26094	4.7
71.08620	51.6
81.03395	1.3
81.07040	1.5
84.04478	0.9
85.02880	5.2
95.08599	1.2
97.02895	1.6
99.08078	100.0
100.08379	1.2
100.11199	1.1
105.06988	1.4
119.08545	0.8
127.03864	1.0
129.12735	10.5
129.76042	0.9
133.10103	1.1
155.14297	3.7
167.07045	1.9
170.00960	0.9
173.15352	54.6
174.15736	1.2
182.68109	0.9
226.17982	0.9
234.81398	0.9
261.09100	1.0
265.48282	0.8
297.90198	0.8
321.11096	1.1
336.67068	0.8
340.06433	0.9
352.30441	1.1
353.14038	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	352.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05499	1.3
57.03413	0.9
59.04986	1.2
61.02927	0.8
62.09807	0.8
67.05473	0.9
69.03416	2.0
69.07063	5.4
71.04722	1.4
71.08624	53.2
81.03409	1.4
81.07050	2.5
84.08151	0.8
85.02900	6.0
86.09676	0.9
91.05482	2.1
93.07028	1.3
94.04242	0.9
95.08596	1.7
97.02882	1.2
99.08080	100.0
100.08424	1.6
100.11245	2.3
105.07033	1.1
107.08604	1.4
109.10126	0.7
110.05969	0.7
114.09174	0.8
117.10931	0.7
119.08582	0.8
121.10156	1.0
129.12744	11.7
137.05911	1.0
145.10217	1.0
149.13255	0.7
155.14307	3.1
162.09663	0.8
167.07030	2.2
169.08600	1.9
173.15353	51.4
174.15648	1.2
191.07008	1.2
207.06471	1.1
289.08508	1.3
299.61658	0.8
321.11218	1.6
324.18213	0.8
352.11752	1.0
352.29373	0.9
353.10040	1.2
353.14044	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01862	3.0
55.05501	21.5
57.03429	30.6
57.07050	3.3
59.04989	1.2
59.49562	1.2
65.03937	2.5
67.05494	46.7
68.07333	1.2
69.03410	1.6
69.07059	18.1
69.52789	11.1
69.53206	2.8
71.04965	4.1
71.08627	1.7
75.04469	2.2
77.03893	1.8
79.05479	49.3
81.07043	66.1
83.04932	3.0
83.08601	14.6
84.36513	1.2
85.06533	5.1
89.15197	1.1
91.05465	38.9
91.06030	2.2
92.05803	1.3
93.07029	75.8
95.04973	7.0
95.07986	2.7
95.08590	48.3
97.06506	4.9
97.10133	3.7
99.08069	4.8
105.07011	44.6
107.08578	44.4
108.08920	1.5
109.06480	5.0
109.10149	23.1
111.08057	5.8
112.00791	1.3
113.09647	1.6
115.05440	1.2
117.06998	11.4
119.08564	38.1
120.08926	1.6
121.06525	1.7
121.10120	37.3
123.08062	2.9
123.11677	6.1
125.09597	3.5
129.06989	5.7
131.08556	17.0
133.10106	38.1
134.10515	1.5
135.11674	31.8
137.09627	2.7
137.13234	2.7
139.11176	2.4
143.08539	5.6
145.10109	18.1
147.11658	38.1
149.09586	1.6
149.13225	19.1
151.11148	3.6
157.10071	8.1
159.11671	18.8
161.13231	20.4
162.13568	1.3
163.11148	3.5
163.14796	3.7
165.12708	4.7
167.96786	1.3
169.10112	2.3
171.11723	8.2
173.13243	9.9
175.14815	9.2
177.12755	2.3
185.13255	11.3
187.14798	9.0
189.12677	1.3
195.13858	1.8
199.14825	5.4
203.14320	2.3
205.15887	4.2
213.16408	4.3
215.18001	1.6
217.15857	2.0
221.15326	1.4
221.19122	1.5
231.17537	1.6
231.21106	5.6
241.19489	20.4
259.20526	55.0
277.21597	23.1
333.24210	8.8
351.25320	100.0
352.25650	5.5
357.05789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01850	4.3
55.05504	27.3
57.03432	21.1
57.07049	5.1
65.03935	2.3
67.05496	79.1
69.03400	3.3
69.07064	22.5
71.04982	2.9
71.08621	56.1
77.03934	1.5
79.05482	57.9
81.03397	9.2
81.07045	71.8
83.04966	10.7
83.08612	13.3
85.06525	4.7
91.05469	42.4
93.07029	71.3
95.04958	14.3
95.08595	46.1
97.06527	10.7
97.10154	8.5
98.20625	2.7
99.08078	35.6
105.07023	33.6
106.29413	1.3
107.04938	7.5
107.08578	48.6
109.06506	7.7
109.07180	1.2
109.10149	24.7
111.08079	6.2
113.09638	3.7
117.07005	8.1
119.08570	30.0
121.06470	2.1
121.10123	37.3
123.08071	4.5
123.11713	6.5
125.09615	4.5
127.11214	1.5
129.06984	4.4
131.08553	11.0
133.10124	25.4
135.08043	2.9
135.11681	44.1
137.09570	4.7
137.13284	1.3
141.09068	4.4
143.08569	5.0
145.10126	10.2
147.11668	19.4
149.09642	1.7
149.13251	18.0
151.11159	25.0
153.12718	1.9
157.10095	3.2
159.11626	7.6
161.09677	1.4
161.13229	17.3
163.11189	9.0
163.14815	3.9
165.12706	3.4
167.10732	1.7
171.11609	6.6
173.11948	1.3
173.13179	6.3
173.30579	1.2
175.11171	1.4
175.14816	5.4
177.12756	4.4
177.16350	1.5
178.44347	1.2
179.14290	100.0
180.14641	3.4
183.11485	1.2
184.82771	1.3
185.13223	5.1
187.14864	2.6
189.11215	2.2
189.12680	2.8
195.13814	2.8
196.66614	1.4
199.14842	4.4
217.15898	1.5
221.15378	3.9
231.20992	2.2
235.16916	5.8
241.19516	7.4
247.72542	1.2
259.20532	25.0
277.21606	51.8
278.21997	2.6
333.24350	2.6
351.25290	91.7
352.25296	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
53.79298	1.7
55.01862	1.9
55.05500	15.0
57.03424	5.7
57.07059	5.4
65.03940	1.6
67.05495	43.9
69.07059	11.4
71.04974	2.5
75.04469	1.9
79.05016	3.3
79.05480	60.0
81.07043	46.9
83.04981	2.3
83.08610	8.6
85.06532	2.6
90.01381	1.3
91.05465	54.7
93.07028	81.7
95.04958	7.8
95.08592	35.4
97.06533	5.0
97.10163	2.8
99.08087	4.7
104.61913	1.2
105.07015	63.4
106.07341	2.0
107.08575	47.4
108.08914	1.2
109.06525	3.6
109.10137	13.0
111.08083	3.1
113.09660	2.7
115.05522	1.2
117.06992	14.1
119.08563	56.2
121.10123	36.6
121.10948	2.4
123.08056	3.5
123.11713	5.0
125.09547	1.5
128.06303	1.7
129.07007	7.6
131.08556	19.9
133.10107	51.6
135.08073	2.6
135.11670	35.3
137.09573	1.9
137.13289	3.0
142.07803	2.0
143.08548	12.9
145.10098	26.1
147.11656	45.5
149.09639	4.9
149.13225	19.6
151.11153	2.0
157.10088	10.4
159.11673	20.3
161.13242	33.6
163.11272	3.3
163.14827	5.2
165.12695	3.1
169.10153	2.1
171.11671	12.2
173.13200	10.6
175.11221	1.9
175.14807	14.4
177.12785	2.3
185.13219	13.9
187.14824	4.5
189.12793	2.8
197.13313	1.3
199.14766	8.0
203.14328	2.0
213.16463	5.2
215.17937	2.9
217.15884	2.9
217.19475	2.1
231.17361	2.0
231.21072	8.4
241.19490	30.5
259.20547	100.0
260.20959	4.0
261.22043	1.7
277.21646	7.1
333.24255	3.1
351.19247	2.9
351.25375	68.2
351.30032	3.8
352.25397	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91199	1.1
53.03929	4.8
55.01845	2.1
55.05500	18.3
56.57867	1.3
57.03424	7.9
57.07062	4.8
65.03919	2.6
65.74352	1.1
67.05131	2.7
67.05490	46.6
69.07056	15.1
71.04957	2.8
71.08624	1.6
75.04478	1.8
77.03889	1.8
79.05476	71.5
81.07040	58.5
83.04967	2.0
83.08606	8.8
85.06528	4.1
91.05461	53.0
93.07024	100.0
94.07363	1.6
95.04958	6.5
95.07986	2.6
95.08587	43.0
97.06498	3.3
97.10157	3.8
99.08099	3.3
103.05470	1.5
105.07008	53.5
106.07321	1.2
107.04932	1.5
107.08567	53.2
109.06509	3.0
109.10130	14.3
111.08058	2.3
113.09628	1.8
117.06989	11.5
119.08557	55.5
121.06478	1.3
121.10123	45.7
123.08065	1.7
123.11681	4.5
125.09609	2.4
128.06265	1.3
129.06999	7.9
131.08537	22.6
133.10100	43.1
135.08012	2.1
135.11667	49.8
142.07788	1.6
143.08525	10.9
144.44334	1.2
145.10091	23.9
146.26779	1.2
147.11655	48.1
149.09590	3.5
149.13226	30.0
151.11165	3.1
157.10068	8.7
159.11652	20.1
161.09630	2.4
161.13225	36.1
163.11189	3.9
163.14783	8.0
165.12668	1.6
170.26134	1.3
171.11668	13.6
173.13234	10.5
175.14798	14.7
177.12753	4.6
177.16333	1.8
177.36708	1.4
179.14346	2.1
185.13251	13.3
187.14775	2.9
189.12750	3.8
189.16316	1.2
191.14117	1.6
199.14786	7.3
201.16399	1.9
203.14299	2.8
207.13786	1.5
213.16382	4.6
217.19525	3.3
229.57457	2.0
231.17496	3.0
231.21014	7.9
234.75993	1.4
241.19455	36.2
259.20517	99.6
260.21060	3.4
277.21524	16.2
333.24176	10.5
351.25275	94.7
352.25650	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.4
55.01854	4.1
55.05499	19.7
56.22965	1.6
57.03411	7.8
57.07051	3.6
62.06066	5.5
65.03942	2.1
66.53668	1.9
67.05495	51.5
68.05817	2.6
69.03412	2.4
69.07059	18.4
70.84640	3.9
70.85049	3.8
71.04974	4.1
71.08621	10.0
79.05481	66.4
80.05801	2.0
81.03396	3.0
81.07043	55.7
83.04931	2.8
83.08601	9.5
85.06516	5.0
91.05463	59.4
92.05804	2.0
93.07028	86.9
94.07351	3.5
95.04941	9.4
95.08586	41.2
97.06485	4.3
97.10136	4.5
98.68517	1.9
99.08038	6.2
105.07012	66.7
106.07327	3.6
107.04957	1.8
107.08575	43.5
109.06471	5.8
109.10143	16.6
112.26022	2.0
117.06996	17.0
119.08558	59.7
121.06464	3.1
121.10126	35.0
123.08021	2.7
123.11700	5.3
125.09583	3.2
128.06207	2.7
129.06973	9.5
131.08534	23.3
133.10101	52.9
135.11661	38.3
142.07794	2.0
143.08542	12.3
145.10112	28.3
146.10715	2.2
147.11661	48.2
148.12021	2.0
149.09570	3.6
149.13226	19.9
151.11133	7.5
155.08514	1.9
157.10098	11.6
159.11665	28.0
161.09590	3.1
161.13225	42.2
163.11147	5.5
163.14815	7.6
171.11647	17.8
173.13226	13.0
175.11148	3.0
175.14798	19.8
177.12698	4.2
179.14322	4.7
183.11635	3.3
185.13223	18.9
187.14761	4.2
189.12711	4.1
189.16351	3.0
199.14835	8.7
203.14394	2.2
213.16309	5.5
215.17943	2.5
217.15816	2.3
217.19469	3.1
231.17377	3.1
231.20988	10.4
241.19461	31.2
242.19751	2.6
259.20535	100.0
260.20886	7.7
275.20135	2.0
277.21594	11.8
292.22562	3.0
333.24518	2.2
334.23712	9.6
351.25287	87.1
352.25415	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.9
55.01862	2.1
55.05501	18.7
57.03418	9.6
57.07058	3.6
59.04951	1.9
59.21381	1.6
65.03889	3.1
67.05492	49.7
69.03396	3.0
69.07052	21.9
69.38265	1.9
71.04956	3.8
71.08603	4.3
71.79982	2.1
75.04441	2.6
79.05476	65.3
80.05802	2.4
81.03387	7.3
81.07043	63.4
83.04959	4.2
83.08582	8.1
85.06519	3.0
91.04919	2.6
91.05464	52.4
92.05759	2.6
93.07026	87.0
95.04931	6.7
95.08586	42.4
97.02899	2.0
97.06502	5.5
97.10133	4.4
99.08073	5.0
105.04454	2.2
105.07011	51.4
107.04902	2.2
107.08572	59.6
109.02868	2.3
109.06465	4.3
109.10120	19.3
113.09624	2.5
115.05308	1.8
117.06976	11.3
119.08558	53.4
121.10125	42.9
123.08090	3.8
123.11662	7.7
125.08124	1.9
125.09608	3.2
127.31255	1.6
129.07011	9.6
129.07802	1.9
131.08549	23.7
133.10107	50.1
133.11116	2.8
135.07973	2.3
135.11665	42.3
137.13287	2.0
143.08530	13.2
145.10104	25.5
147.10550	3.1
147.11668	50.9
149.09630	3.4
149.13220	28.3
151.11122	2.6
151.50598	1.7
157.10103	12.9
159.11655	20.1
161.09572	4.6
161.13226	40.6
163.11162	4.4
163.14798	11.1
171.08020	2.2
171.11644	15.8
173.13258	13.0
175.03850	2.6
175.11133	3.4
175.14777	19.6
177.12700	3.9
179.14308	4.1
185.13277	11.1
187.14774	5.7
189.12672	4.8
197.13297	2.1
199.14774	7.8
203.14134	1.7
207.06499	4.0
213.16383	5.3
215.17888	2.3
217.15970	1.9
217.19458	5.5
223.14723	1.8
231.17299	3.6
231.21042	8.9
241.19485	41.2
259.20535	98.5
260.20874	2.5
277.21609	21.2
333.24133	10.7
351.10724	4.8
351.25244	100.0
352.25250	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34267	0.3
55.05500	0.8
56.05024	2.6
58.99572	0.5
67.05486	1.3
70.06583	0.8
70.75394	1.1
71.04954	0.6
72.08167	0.6
73.06554	0.7
79.05492	0.4
81.07070	1.1
82.06577	2.4
83.07320	0.6
84.08131	100.0
85.02897	1.2
85.08469	1.9
86.09705	0.5
89.06011	2.0
91.05476	0.8
93.07045	1.6
95.08569	0.5
97.02892	0.7
101.04230	27.5
102.04539	0.6
104.98313	0.7
107.04946	0.7
115.05782	0.5
117.12392	0.4
120.08109	0.4
121.06506	1.0
125.04205	0.8
127.04019	0.5
127.05769	3.1
128.07077	0.7
129.10229	1.2
130.08618	6.9
135.23007	0.5
136.07542	0.6
147.11275	2.1
159.02971	1.4
165.07799	0.4
168.83624	0.4
176.53922	0.4
177.04013	22.7
178.04404	0.8
187.02412	1.7
189.70018	0.4
205.03502	6.8
206.15396	1.1
237.25534	0.4
270.09821	3.5
288.10822	24.3
289.11234	1.8
305.13629	0.9
322.42752	0.5
333.12955	2.1
351.14020	74.2
352.14233	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	351.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01874	1.5
55.05508	5.8
57.03426	3.3
57.07075	1.1
61.02922	6.3
67.05500	4.9
69.03415	5.3
69.07063	13.3
70.06576	1.8
71.04976	4.1
79.05474	5.0
81.03407	3.1
81.07035	11.0
83.01308	1.3
83.04971	15.5
83.08618	3.5
85.02891	4.2
85.06555	1.7
86.09711	1.1
91.03953	2.2
91.05476	12.2
93.07038	8.4
95.01331	4.4
95.04969	8.3
95.08591	12.2
97.02888	1.2
97.06509	5.5
97.10149	1.2
103.03978	0.9
103.05475	1.0
103.59873	0.9
105.07013	23.2
105.07713	1.5
107.04967	1.0
107.08569	10.0
109.02852	2.3
109.06483	3.6
109.10149	11.4
111.04431	2.1
111.08071	2.4
113.02361	2.6
113.05984	1.5
117.07031	2.2
119.04906	2.6
119.08569	62.0
120.09342	1.6
121.02803	1.0
121.06522	3.7
121.10122	17.8
122.05998	1.2
123.04418	4.2
123.08051	1.9
123.11682	8.2
125.05983	2.5
127.03918	2.6
131.08554	3.6
133.10112	71.1
134.10425	1.6
135.07985	1.1
135.11694	4.6
136.12044	1.2
137.05942	2.5
139.03882	2.3
139.07524	1.2
141.01825	2.4
141.05464	2.9
143.06989	1.5
144.09433	1.0
145.10115	5.9
147.04388	2.3
147.08118	1.0
147.11673	26.1
149.05988	1.4
151.07535	1.8
153.05478	2.9
157.10068	2.2
159.06525	2.0
159.11694	1.8
161.05983	1.2
161.13243	10.1
162.19965	1.1
167.07040	4.0
168.32080	1.1
169.04951	1.6
171.11658	1.5
173.09659	1.4
173.13257	6.2
175.03900	2.5
175.14803	100.0
176.15540	10.1
177.03940	2.5
181.04875	1.0
183.06540	9.4
185.08131	2.3
185.13197	1.6
187.14806	2.5
201.07553	2.2
203.05515	1.4
203.14345	2.7
207.06554	3.3
211.06015	9.9
211.09692	1.1
215.05479	2.3
215.14322	1.6
229.07068	18.1
243.08690	7.2
246.85187	0.9
255.08626	1.7
257.10181	6.1
283.12180	1.1
287.16376	1.6
295.11832	1.1
305.17426	3.9
315.15860	1.6
319.38696	1.0
333.16995	3.4
351.11194	2.9
351.18015	28.2
351.22360	2.3
352.18304	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80917	0.5
56.96304	0.8
56.96564	9.9
56.96844	0.8
69.90983	0.5
70.11775	3.1
84.96032	2.8
85.02908	0.7
98.97574	100.0
99.97907	1.0
108.45985	0.5
110.74040	0.5
110.97564	7.1
112.99156	1.5
115.49659	0.5
116.98611	42.5
124.99074	0.7
127.00613	0.7
128.98599	6.7
129.02274	0.7
131.00172	1.8
134.99646	10.6
137.05894	0.6
140.00182	1.0
140.98579	1.3
143.00124	1.3
144.98087	1.5
145.01688	1.7
146.99632	3.7
147.03290	4.0
149.01259	0.6
152.98567	1.0
153.00664	0.8
155.04666	1.1
158.99641	42.0
161.01222	2.0
162.99071	0.6
163.02769	2.4
165.04353	2.1
170.99666	2.8
171.03273	3.5
177.00694	36.1
189.00783	2.0
189.04349	13.0
193.03885	0.5
195.01781	2.3
200.02376	1.6
201.00661	1.2
201.04417	0.7
207.05342	3.0
219.01758	11.3
219.05202	0.7
225.58601	0.6
231.05331	3.0
237.02794	19.0
243.05322	0.7
249.06299	2.2
289.89871	0.5
291.07462	22.9
292.07715	1.4
301.66138	0.5
309.08542	81.1
310.08902	3.5
332.10043	2.5
351.09607	45.2
352.10199	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49522	2.0
59.95710	2.0
60.05633	4.9
64.96896	1.8
67.31721	2.1
67.71362	1.9
71.78862	2.5
71.79243	3.0
81.64265	2.0
98.97554	4.5
100.40516	2.3
105.07649	1.9
114.09169	10.4
115.09470	4.3
116.98602	2.8
119.01893	4.1
121.01672	3.3
124.81393	2.0
133.01631	4.2
147.05002	2.9
158.99638	2.5
160.09697	10.4
173.02911	2.7
176.09123	3.2
189.00534	2.4
189.02046	2.2
192.08772	2.6
201.00626	3.2
207.03021	2.2
217.00096	5.5
231.01485	2.1
233.92818	2.4
249.02811	3.2
270.58551	3.4
291.09341	5.5
293.99310	2.3
350.21802	2.0
351.06769	100.0
351.10526	10.8
352.07315	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	350.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
57.03402	0.7
57.07082	0.9
59.04996	1.6
59.24749	0.7
60.04506	1.1
67.05476	1.4
69.07039	1.8
69.86308	4.4
71.04984	15.5
73.06532	3.5
79.05490	3.1
81.03390	0.8
81.06592	1.3
81.07045	16.4
82.06594	0.7
82.07321	0.7
84.67746	0.6
85.02885	2.3
91.05460	2.3
93.07028	11.6
95.08589	2.1
97.02890	1.2
97.06496	1.6
105.07059	0.8
107.08570	7.7
107.83920	0.6
109.02837	0.9
109.10153	2.4
119.08582	1.0
127.03942	0.9
133.10028	0.7
135.11678	18.6
136.11987	0.7
142.08649	0.9
147.04414	2.5
148.51248	0.7
153.12726	100.0
154.13081	4.4
159.09132	0.8
183.26180	0.7
207.06497	1.3
255.58311	0.7
259.13324	1.5
350.28885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05506	10.5
57.03424	3.0
59.05001	3.0
61.02912	2.2
67.05498	6.7
69.03416	4.5
69.07054	5.4
70.06588	2.0
71.04988	12.2
71.18649	1.3
72.08139	1.4
73.02895	1.6
79.05479	5.2
81.03397	5.2
81.07043	20.2
83.04951	2.3
83.08609	21.8
83.09071	1.9
85.02895	24.1
86.09687	4.6
91.05484	5.9
93.07032	39.5
95.08591	35.1
96.08974	1.8
96.36460	1.1
97.02882	5.0
97.06512	21.2
97.07089	1.9
97.67992	1.1
99.04450	1.6
101.09653	5.0
105.06990	2.7
107.08577	58.7
108.08909	1.4
109.02881	4.6
109.10144	36.5
111.08072	2.1
113.09655	1.1
119.04931	1.9
120.08118	3.4
123.11676	15.2
123.12487	1.2
127.03888	5.2
133.10127	1.2
135.11676	100.0
136.12033	4.2
137.41473	0.9
141.12756	2.3
145.04927	6.0
147.04471	1.2
153.12724	62.3
154.13080	3.1
158.11882	1.1
163.05966	2.0
167.00026	3.9
168.97968	1.2
171.13786	60.5
172.14102	4.2
185.12790	1.4
190.01456	1.1
198.09705	1.4
205.19194	1.1
207.06497	1.9
222.99045	1.5
350.18793	1.4
351.11075	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	350.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83422	1.5
55.05491	3.1
57.03424	3.4
59.04997	1.9
61.02912	1.8
62.49453	1.5
67.05496	8.9
67.46217	1.4
67.52012	1.3
67.53853	1.4
69.03418	3.6
69.07053	5.3
69.58749	13.4
71.04995	3.5
79.05485	6.0
81.03410	2.8
81.07039	22.4
83.04961	2.5
83.08612	3.6
83.22901	1.5
84.08154	1.8
85.02888	15.4
86.09689	4.6
87.04521	1.6
91.05456	7.9
93.07030	55.0
94.07352	2.2
95.04935	3.0
95.08595	29.9
95.24629	1.5
97.02889	4.8
97.06516	27.0
98.20687	3.3
105.07044	2.5
107.08579	70.0
107.71529	1.5
108.08887	1.8
109.10143	46.8
109.10861	3.3
119.04898	2.0
119.08619	2.0
120.08092	7.9
123.11709	12.5
127.03973	2.0
127.14642	1.5
128.07043	1.6
132.61385	1.4
134.80247	1.4
135.11668	100.0
136.12015	4.3
141.12714	2.1
145.04895	2.1
147.04343	3.0
153.12721	62.1
157.13342	2.2
159.09198	2.1
171.13780	53.0
172.14076	1.8
204.08583	2.9
207.06458	1.9
229.09543	1.6
270.45764	1.7
277.22672	2.1
288.08099	1.6
306.21768	1.6
364.06116	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	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05503	4.7
57.03411	0.6
57.07059	1.4
65.91188	0.4
67.05497	4.3
69.07054	8.0
70.99042	1.0
71.04976	1.2
71.08605	0.4
73.06528	0.4
79.05479	2.9
81.07042	6.7
83.04964	0.7
83.08606	3.3
85.06519	0.8
86.17787	0.4
91.05438	1.6
93.07011	4.2
95.04980	0.4
95.08595	6.1
97.06506	1.0
97.10125	0.7
99.08062	0.4
105.07007	1.9
107.08570	4.5
109.06495	8.8
109.10147	2.7
111.08065	1.3
117.06972	0.4
119.08560	2.9
121.10123	3.1
122.07273	0.4
123.08044	54.3
123.11683	1.5
124.08369	1.1
125.09593	0.6
131.08499	0.4
133.10127	2.1
135.08029	4.2
135.11682	1.9
136.08783	0.6
137.09578	2.6
137.13281	0.4
145.10075	0.9
147.11662	1.6
149.09579	1.0
149.13255	1.5
151.11168	0.6
159.11700	1.0
161.13220	1.4
165.12733	0.5
167.14322	0.4
177.12726	0.6
179.14278	12.8
180.14659	0.4
188.50903	0.3
233.18979	0.7
275.19995	1.7
281.21027	0.4
289.25192	0.7
293.21051	13.2
294.21381	0.5
307.22678	0.6
331.26260	2.3
349.27304	100.0
350.27676	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	350.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64910	0.5
54.05239	0.5
55.01867	0.9
55.05502	7.3
56.05029	3.5
57.03443	1.0
58.99579	1.9
61.01098	0.6
62.99056	1.5
65.03943	0.6
67.05500	5.4
69.03416	1.0
69.07056	0.7
70.06587	4.6
71.04962	1.0
71.66094	0.5
71.78912	0.6
71.79359	0.7
72.08135	2.2
72.13663	0.6
73.01135	0.6
79.05488	3.3
81.03385	0.7
81.07046	7.4
82.06570	13.3
82.07343	1.3
83.04977	8.8
83.06097	0.7
84.04498	2.8
84.08138	5.1
85.01108	1.3
85.02884	1.7
85.06550	1.2
86.09694	2.5
87.02684	4.0
88.03011	0.7
91.05473	3.7
93.07025	6.4
95.04971	0.9
95.08599	4.3
97.01131	1.4
97.02859	1.0
99.02664	1.0
100.07606	24.0
101.04227	100.0
102.04571	1.6
102.96763	0.6
104.98302	3.3
107.04951	2.9
107.08572	1.6
109.06475	0.8
109.10155	1.3
111.02654	1.5
111.04423	6.7
113.04252	1.0
114.09146	1.2
115.05782	1.7
116.07072	1.7
119.04937	1.0
120.08082	1.3
121.06502	2.3
122.02718	1.6
122.07286	1.1
123.08011	1.4
125.04221	4.3
125.09570	0.8
127.03873	1.0
127.05762	12.4
128.07062	78.3
129.05469	10.4
129.07370	1.7
130.04965	0.7
135.04411	2.2
135.11705	1.0
137.03218	0.6
140.07018	0.8
144.06537	2.2
145.01347	0.8
146.08101	19.5
146.58247	0.6
147.04376	1.4
153.03665	0.7
153.09093	3.0
159.02953	5.4
170.12543	1.8
171.10138	1.7
172.05974	0.6
173.12837	1.2
175.03831	0.9
175.08670	0.8
177.04008	68.4
178.05042	1.3
187.02437	8.8
189.09082	1.5
202.08897	1.1
203.03352	0.8
203.09297	1.7
204.05103	3.6
204.07903	0.7
205.03506	27.7
206.04242	1.5
206.51999	0.7
207.11203	1.2
231.02756	4.0
232.09424	0.6
249.03891	2.6
266.13766	0.8
268.15402	3.9
279.24649	0.7
314.08707	5.8
332.09836	13.3
350.06998	1.1
350.10907	18.8
350.18399	1.1
351.08127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05500	2.0
57.07069	4.8
60.82321	0.3
67.05502	2.7
69.07064	2.4
69.75984	0.5
69.76396	1.9
70.95112	0.2
71.04981	0.6
71.08621	2.1
79.05462	1.7
81.06602	0.4
81.07045	5.1
83.04977	0.4
83.08588	0.9
85.06528	2.3
91.05461	1.3
93.07034	2.2
95.08598	5.2
97.06535	0.5
97.10142	0.5
98.21417	0.4
99.07514	0.2
99.08068	1.7
105.07014	1.7
107.08580	2.6
109.06504	15.8
109.10148	1.6
110.06803	0.4
111.08067	0.6
119.08592	1.5
119.09293	0.3
121.06516	0.3
121.10145	1.9
122.07270	1.5
123.08052	22.4
123.11671	0.8
124.08329	0.3
131.08539	0.5
133.10094	1.1
135.08018	2.9
135.11674	0.6
136.08820	0.5
137.09604	0.7
137.13214	0.4
145.10080	0.6
147.11636	0.7
149.09538	0.7
149.13293	0.3
151.11081	0.3
151.14769	0.3
153.60893	0.2
159.11685	0.5
161.13248	0.7
165.12712	0.8
167.14331	0.6
175.14815	0.4
177.12730	0.3
179.14284	100.0
180.14642	3.1
189.16360	0.3
193.15829	2.3
205.15926	0.3
233.19066	0.3
251.19966	0.3
277.97156	0.3
289.25284	0.5
331.26144	1.9
349.27322	90.2
350.27670	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	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.10202	0.4
53.03928	0.6
55.01858	0.4
55.05508	4.3
57.07055	1.2
61.02669	0.4
61.45972	0.4
63.01302	0.3
67.05502	4.9
69.07056	8.5
70.14654	0.3
70.98783	1.3
71.04977	1.1
71.08630	0.6
73.06525	0.4
79.05485	3.3
81.07042	7.3
81.07518	0.4
83.04993	0.7
83.08611	3.8
84.90404	0.4
85.06522	1.1
91.05466	1.5
93.07020	4.3
95.04949	0.7
95.08593	6.3
97.06529	1.9
97.10165	0.9
105.07011	2.6
107.08575	5.2
109.06506	8.0
109.10150	3.3
111.08057	2.0
119.08565	2.9
121.10144	3.0
122.07282	0.6
123.08050	56.7
123.11675	1.4
124.08382	1.0
125.09606	0.9
133.10097	2.3
135.08003	4.7
135.11685	1.6
136.08757	0.4
137.09590	3.3
137.13188	0.7
145.10069	0.7
147.11693	1.7
149.09604	1.2
149.13254	1.7
149.39395	0.4
159.11682	1.3
161.13235	0.9
163.11192	0.6
165.12752	0.8
175.14822	0.5
177.12726	0.6
179.14301	5.4
179.15741	0.7
233.18956	1.0
242.12369	0.4
247.75053	0.4
263.20041	0.4
275.20102	1.9
289.25266	0.5
293.21075	15.6
294.21384	1.0
294.76505	0.4
307.22595	1.1
313.25146	0.6
331.26303	2.5
349.27310	100.0
350.27679	6.5
356.46631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.9
55.01859	15.6
55.05498	24.9
57.03428	18.6
57.07058	3.9
65.03923	3.5
67.05493	82.0
69.03416	4.5
69.07055	70.8
71.04977	4.6
75.75549	2.1
79.05477	63.3
80.05794	3.4
80.31063	2.4
81.03408	34.1
81.07043	96.5
83.04961	19.2
83.08614	12.8
85.02847	3.7
85.06528	4.8
91.05461	84.8
91.06030	4.5
93.07027	74.3
95.01321	22.3
95.04949	23.7
95.08585	65.7
97.06525	26.0
97.10152	5.3
98.20620	3.8
105.07005	100.0
106.07345	2.6
107.04929	44.7
107.08567	43.8
109.02833	3.0
109.06496	8.7
109.10122	21.3
111.08070	5.3
117.07008	28.6
119.04940	2.9
119.08559	58.9
121.06477	10.6
121.10127	22.0
123.04405	6.4
123.08047	14.4
123.11703	7.1
125.09616	5.4
128.06189	2.5
129.06960	6.2
130.07755	3.8
131.08545	42.1
133.06448	4.0
133.10103	57.3
134.10471	3.0
135.08034	8.7
135.11670	22.4
137.09589	4.9
139.07545	3.0
141.06938	4.9
143.08530	7.8
145.06448	8.8
145.10114	35.9
147.11667	25.6
149.09630	11.9
149.13220	9.7
151.11168	6.0
155.08551	4.9
157.10101	9.4
159.07999	2.4
159.11665	34.0
161.09552	4.9
161.13228	9.0
163.11110	8.8
165.09000	2.6
168.57214	2.1
169.10101	9.8
171.11664	5.0
173.09673	3.1
173.13237	10.1
177.12756	12.4
179.14285	28.9
183.11694	4.9
185.13074	2.4
187.11176	7.8
187.14793	4.1
197.13171	5.9
205.12273	3.9
211.14743	5.1
227.00536	2.2
229.19449	4.1
233.15390	2.2
239.17944	2.8
241.14301	4.0
247.20569	6.1
257.18994	15.8
275.20013	90.2
276.20404	4.3
293.21051	3.4
295.24313	2.4
313.18539	2.7
349.19473	4.8
349.23697	87.9
349.28525	7.6
350.23941	5.4
373.90744	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	17.9
55.01862	17.1
55.05502	29.1
57.03426	22.0
57.07063	2.7
61.02904	2.0
65.03913	2.7
67.05491	80.8
68.05811	3.1
69.03414	4.6
69.07057	78.1
70.34999	10.4
71.04991	4.7
73.02915	2.6
79.05480	65.4
79.87395	2.2
81.03406	33.6
81.07043	100.0
82.07355	3.4
83.04971	13.6
83.08600	14.6
85.02844	3.2
85.06513	4.3
91.05460	73.5
92.05846	2.8
93.07028	64.2
95.01322	21.8
95.04953	24.9
95.08588	73.1
95.09188	4.4
96.08945	2.8
97.02859	3.4
97.06509	24.1
97.10162	5.9
99.08070	2.6
103.05455	2.5
105.07005	99.5
106.07315	2.8
107.04926	48.4
107.08572	39.5
107.09216	3.0
109.06490	11.1
109.10137	15.7
111.04406	2.6
111.08066	6.4
117.07002	30.9
119.08559	65.1
119.09406	3.8
121.06483	8.1
121.10120	17.8
123.04427	4.6
123.08037	11.3
123.11646	4.4
125.09626	4.0
129.06996	6.2
131.08545	43.6
133.03441	4.1
133.06444	3.2
133.10103	63.8
135.08069	8.5
135.11667	19.6
137.09608	4.8
139.07562	3.2
141.06943	5.5
141.74466	2.2
143.08554	7.8
145.06519	8.9
145.10097	33.8
147.11662	29.7
149.09596	13.8
149.13237	10.9
151.11183	5.3
155.08493	2.2
157.10147	7.2
159.08072	3.3
159.11687	24.7
161.03003	3.1
161.09570	3.0
161.13261	14.5
163.11186	7.2
165.09120	4.4
169.10114	6.9
171.11673	10.6
173.13255	7.6
175.04471	2.7
175.11118	3.2
177.12723	13.4
179.14272	33.1
183.11693	4.9
187.11139	10.6
187.14812	3.9
189.12773	2.6
197.13217	3.8
205.12273	3.8
215.18114	3.6
217.69556	2.0
226.37909	2.3
229.19524	3.3
231.30768	1.9
239.18004	3.6
241.14330	3.1
247.17845	2.0
247.20656	6.3
248.67593	2.2
257.19000	10.4
275.20023	94.1
276.20535	7.6
293.21396	2.9
301.20276	4.3
349.23804	76.3
349.27878	4.1
349.33487	2.4
350.24231	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67450	0.8
53.03935	2.5
53.87411	0.8
55.01868	5.9
55.05504	16.0
57.03431	14.7
57.07064	2.7
65.03917	1.1
67.05496	34.9
69.03429	2.1
69.07056	22.3
69.67166	3.7
69.67597	4.0
71.04987	2.5
79.05486	25.6
80.05788	1.1
81.03383	1.5
81.07044	35.6
82.07407	1.3
82.51364	1.0
83.04974	8.4
83.08611	5.5
85.06531	1.8
91.05465	24.7
92.05823	1.2
93.07030	31.8
95.04951	10.3
95.08589	22.6
97.06524	4.9
97.10149	3.7
98.21361	2.0
103.05447	1.1
105.07014	28.2
107.04951	11.1
107.08575	24.1
109.06508	15.6
109.10139	12.1
111.08044	2.1
117.07007	10.6
119.08569	18.9
121.06487	12.4
121.10107	12.3
123.08043	10.4
123.11694	3.5
125.09618	1.8
129.07002	2.9
131.08546	20.0
133.06505	4.2
133.10117	16.9
133.11096	1.3
135.08041	6.4
135.11678	7.6
136.06233	1.0
137.09631	3.4
141.07043	1.2
143.08534	3.9
145.06483	2.2
145.10092	16.1
146.10530	1.0
147.08060	4.5
147.11665	11.6
149.09590	6.9
149.13232	4.7
151.11179	6.1
155.08551	2.3
157.10083	5.1
159.08022	3.0
159.11696	10.0
161.09612	4.3
161.13280	4.7
163.11139	9.5
163.14882	1.2
165.12680	1.5
169.10097	1.6
171.11746	4.1
173.09564	2.8
173.13222	7.2
175.11174	2.9
175.14815	1.4
177.12738	3.9
179.14278	7.1
183.11691	3.4
185.13248	1.7
187.11203	1.9
187.14832	1.8
189.12711	1.4
191.14296	2.4
197.13162	2.2
199.14854	2.1
201.12727	2.9
205.19530	1.1
207.13857	2.7
213.16528	1.3
215.14415	1.1
215.18031	2.0
219.13832	2.8
229.19516	3.5
233.19020	1.7
239.17944	4.2
247.20454	4.6
257.18988	17.3
275.20029	100.0
276.20419	3.4
293.21069	10.9
349.23740	55.6
349.27594	7.7
350.24023	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.55761	1.5
53.03925	5.0
55.01861	11.4
55.05266	1.7
55.05504	26.2
55.99239	1.3
57.03189	1.4
57.03429	15.6
57.07057	1.4
58.94889	1.3
65.03893	2.6
67.05492	49.2
69.03401	3.6
69.07057	35.8
71.02845	1.4
71.04962	5.2
71.79826	1.4
78.24503	1.4
79.05477	58.5
80.05804	1.6
81.03378	4.6
81.07039	47.1
83.04981	6.6
83.08597	10.9
85.06509	3.5
91.05459	46.8
93.07025	41.2
93.07545	0.9
95.01337	2.5
95.04940	9.4
95.08590	28.4
97.06505	20.5
97.10153	8.2
99.08063	1.6
102.92397	1.3
103.05429	1.6
105.07007	62.1
106.07316	1.6
107.04937	18.5
107.08569	63.1
109.06511	8.1
109.10124	14.6
111.08060	3.0
113.09637	2.3
115.05456	1.6
117.07000	16.8
119.08555	33.0
120.08907	1.8
120.30138	1.3
121.06474	6.1
121.10121	16.6
123.04369	1.7
123.08065	2.9
123.11662	4.4
125.09625	11.7
129.06982	5.8
131.08542	23.3
133.10100	30.8
134.10464	2.4
135.08011	5.3
135.11670	10.8
137.09558	3.8
141.06950	3.9
142.07779	1.8
143.08528	8.3
144.22394	1.5
145.06453	1.9
145.08943	2.8
145.10095	52.1
146.10574	1.6
147.08124	1.4
147.11652	24.5
149.09596	19.0
149.13240	3.8
151.11118	2.0
153.09081	2.1
155.08540	3.3
157.10092	8.2
159.11684	20.2
161.09578	2.5
161.13229	9.0
163.11136	10.7
169.10080	5.4
171.11626	8.0
173.11766	3.1
173.13225	10.2
175.11098	1.6
175.14781	3.4
177.12679	3.7
179.14252	7.0
183.11594	8.0
185.13213	2.2
187.11153	4.0
187.14796	3.5
189.11224	6.4
189.12665	2.8
193.46344	1.6
197.13220	6.8
197.94414	1.4
201.16364	1.7
205.12279	2.2
211.14795	3.1
215.14331	2.1
215.17943	2.7
229.19496	5.9
239.17897	14.3
242.35677	1.3
247.20526	2.8
257.18970	40.9
257.35397	1.6
258.19370	2.5
275.20023	67.7
276.20346	5.5
293.21130	2.4
331.22543	6.1
349.19952	6.2
349.23679	100.0
349.28540	3.9
350.24133	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	349.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05503	1.1
57.03427	20.7
60.04498	1.7
61.02921	2.8
67.05489	1.4
69.03413	4.5
70.02530	6.3
70.06565	2.1
71.01340	21.8
71.04952	1.1
71.08619	86.8
72.08956	1.3
73.02904	29.0
75.04470	4.7
81.07063	2.2
83.01302	2.1
83.04974	1.5
83.66521	1.1
85.02893	57.5
87.04455	1.7
89.02371	0.9
89.06016	3.4
91.05466	1.1
93.07025	1.6
95.01314	13.7
97.02876	15.0
99.00796	5.7
99.04425	3.8
99.08080	100.0
100.08398	1.6
101.02364	11.1
103.03933	9.8
111.00787	1.3
113.02345	26.2
116.07050	1.9
117.01878	1.4
117.09115	18.5
123.00755	1.9
125.10500	1.0
131.03397	13.0
141.01804	32.7
145.04950	3.8
158.05891	1.4
159.02870	9.8
159.06499	3.3
169.04948	3.8
173.11713	96.3
174.12074	1.5
185.06950	1.3
187.06071	3.8
188.07060	1.2
191.12679	7.8
197.04474	3.3
201.11208	1.8
215.05502	10.5
215.12758	12.7
233.06703	1.8
257.10175	4.0
257.13873	1.6
313.12668	3.3
331.13861	8.8
349.14941	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	349.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80453	0.8
55.01859	2.6
55.05494	2.3
57.03430	21.8
61.02916	2.8
67.01848	1.7
67.05495	1.7
68.99789	1.2
69.03422	9.9
69.07060	1.4
70.06574	2.6
71.01348	28.4
71.04977	2.7
71.08625	84.7
71.79467	1.2
73.02912	37.1
75.04470	4.8
79.05486	1.2
81.03416	1.0
81.07039	4.1
83.01318	4.1
83.04977	2.8
84.08129	1.7
85.02896	75.2
86.09689	8.7
87.04447	1.5
89.02387	1.5
89.06016	2.2
91.05484	1.8
93.07027	3.4
95.01311	7.6
95.04968	2.3
95.08586	1.3
97.02885	28.3
97.06507	1.3
99.00803	11.0
99.04436	5.2
99.08086	100.0
100.08400	1.6
101.02376	8.5
103.03929	10.3
103.05444	1.7
105.07020	1.0
105.10577	1.0
107.08572	1.3
108.47848	1.0
109.10093	1.2
113.02351	28.9
115.03939	1.1
116.97243	0.9
117.01842	1.2
117.05459	1.8
117.09117	17.4
120.08095	3.1
121.02911	1.4
123.00762	3.4
124.93559	1.1
127.03925	1.0
131.03403	18.9
135.11674	1.5
141.01808	20.2
141.05493	1.6
145.04973	4.7
145.10060	1.2
157.07652	1.2
159.02901	11.0
159.06548	5.4
159.07893	1.1
164.07060	1.2
164.10643	1.2
166.08617	2.0
167.00008	1.9
169.04910	4.9
169.12234	1.8
171.06537	1.4
173.11723	83.3
174.12088	1.6
177.04037	1.0
185.07086	3.0
185.12859	2.3
187.05977	4.1
191.12845	1.1
192.99466	3.7
193.99799	4.1
197.04463	7.4
201.11227	2.0
203.08324	1.2
215.05434	11.5
215.12769	16.7
233.06584	1.0
240.00218	1.0
244.71838	0.9
257.13907	1.3
303.14594	1.2
313.12772	4.1
331.13626	2.8
349.07013	3.0
349.14737	21.1
349.21310	1.1
350.07220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.6
57.03430	2.7
61.02903	2.8
69.03415	3.7
70.06566	2.5
71.78518	3.4
72.08145	6.1
73.02911	4.1
84.08134	5.7
85.02897	6.9
86.99326	2.5
94.92995	6.5
94.99905	2.2
97.02885	5.3
98.97583	4.7
101.00877	30.0
102.00960	3.1
113.00865	9.7
114.09152	12.7
114.10332	2.9
115.02441	3.1
116.98640	3.7
119.01902	97.3
120.01978	5.0
124.03988	3.0
127.03937	2.7
128.98593	3.6
131.01881	61.9
132.01997	4.1
133.03513	11.2
137.02953	9.7
143.01892	18.5
144.99773	4.2
145.03459	6.7
147.01303	2.7
149.02934	15.4
151.04437	2.9
152.40800	2.3
155.01834	17.4
156.02005	3.0
157.03421	5.1
160.09685	3.9
161.02937	22.4
162.03235	2.6
166.08656	4.2
168.99835	32.4
169.06841	4.3
171.04962	2.5
173.02939	37.7
174.03256	3.2
180.99835	9.9
182.08098	5.5
185.03043	5.3
187.00876	53.6
187.07927	4.9
188.01045	6.1
191.04013	7.0
196.04646	2.2
196.99263	15.3
199.00893	19.5
201.02509	6.8
203.04056	8.1
205.01819	3.1
206.98221	3.6
215.00336	89.7
216.00575	8.4
217.01871	3.1
219.01701	2.7
219.03465	10.9
221.05066	7.8
227.00182	2.9
229.01921	35.6
229.06628	2.2
230.05090	3.4
231.03496	15.5
238.02029	3.5
241.02005	8.9
245.01347	4.8
245.05040	3.0
247.02969	100.0
248.03206	12.2
253.12929	5.2
257.01553	2.6
259.02969	32.7
262.94891	2.5
270.04581	7.2
271.02902	4.3
277.04150	7.8
289.04007	25.6
289.11554	3.8
289.14838	4.5
307.05139	3.2
307.08704	3.3
307.12167	4.3
317.03482	9.0
339.88190	2.3
349.09113	58.5
349.12674	5.3
349.17017	55.5
349.21167	4.5
350.09720	3.9
350.17926	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	347.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.9
57.07070	17.5
57.07299	3.3
59.52144	2.9
65.16505	2.9
67.05499	24.6
69.07055	63.9
71.08624	7.4
71.19448	6.3
77.00169	3.7
79.05479	9.0
79.25097	2.9
79.25629	2.7
81.07039	100.0
83.08604	34.5
85.06533	9.8
86.09666	3.1
93.07032	18.1
95.04961	4.1
95.08585	96.8
97.10155	26.9
99.08099	4.8
105.07004	7.9
107.08568	19.9
109.06460	3.1
109.10140	51.1
111.11700	18.3
121.10125	13.7
123.11694	43.4
125.09551	5.0
125.13248	12.8
133.10065	3.7
135.11719	8.8
137.13228	36.8
139.14828	4.9
149.13222	30.7
151.14787	9.0
155.14281	5.8
163.14824	11.3
165.16385	8.2
167.14241	16.0
275.27316	18.1
293.28363	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	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.98329	0.5
55.01868	1.1
56.96562	1.1
57.03428	1.1
58.35104	0.4
60.04502	1.1
61.02924	0.8
61.59548	0.4
64.27100	0.5
67.05486	1.1
69.03431	4.2
69.07062	37.9
70.06586	4.8
70.38643	2.4
71.04974	0.6
72.08141	0.8
73.02900	1.1
74.06050	0.9
81.03409	1.7
82.06537	0.6
84.04485	1.2
84.08145	0.9
85.02900	14.5
86.09704	4.1
88.03988	0.7
92.05830	0.5
95.04964	2.3
95.06055	0.7
96.08125	1.3
97.02882	6.1
97.06524	4.7
97.12006	0.5
98.97567	1.5
99.04445	1.7
103.03935	1.1
109.02876	2.7
110.97523	0.7
111.04451	0.8
112.07602	4.8
114.09161	2.1
116.07086	2.2
116.98574	0.8
123.04419	2.5
124.07525	0.7
125.05980	0.7
127.03918	3.4
130.06516	0.8
137.05978	1.0
140.07051	39.3
141.05406	0.9
141.07391	0.9
144.02094	0.5
144.06595	0.6
145.04948	1.0
147.04337	0.6
152.23157	0.5
154.08646	1.2
160.07921	1.1
164.07040	0.7
168.06552	100.0
169.04948	1.9
169.06888	1.4
182.08131	9.5
186.07617	19.2
186.11221	4.2
189.08943	0.5
201.12419	2.3
204.38333	0.5
205.09933	0.6
206.08124	1.0
210.07599	15.9
216.97852	0.6
217.08348	0.6
228.08704	2.7
234.07639	2.3
240.65565	0.5
246.15775	0.5
252.08714	1.3
253.28827	0.6
255.54492	0.5
264.08582	1.2
276.08615	1.6
302.12250	0.9
329.82495	0.5
330.11618	0.9
348.13022	4.3
348.16531	0.9
349.08939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70093	1.4
55.01873	2.7
55.05500	18.0
57.03423	5.7
57.38950	1.4
59.04973	2.7
66.00707	1.3
67.05495	60.3
69.03422	2.9
69.07058	18.1
71.04979	3.3
79.05480	20.5
81.03384	1.6
81.07044	35.7
83.04971	4.5
83.08146	2.1
83.08596	14.2
85.06520	3.4
91.05463	15.1
93.07026	24.3
95.04942	3.7
95.08591	19.6
97.06502	7.1
97.10140	9.2
105.07023	13.4
107.04939	3.4
107.08572	25.3
109.06525	4.0
109.10144	47.6
109.10863	3.0
110.10428	1.8
111.08076	4.9
117.07029	5.4
119.08524	12.1
121.06512	4.1
121.10133	7.0
123.08009	2.5
123.11697	3.9
125.09619	12.1
127.05505	1.5
129.06992	2.0
131.08568	5.7
133.10107	13.1
135.08066	4.4
135.11705	6.7
137.09573	3.1
142.18524	1.3
145.06578	1.3
145.10085	7.0
147.11642	7.4
149.09583	7.9
149.13274	5.8
151.46199	1.4
155.08633	1.7
155.10643	17.4
159.11649	7.8
161.13287	2.9
163.11156	3.9
165.12703	1.5
169.10023	1.7
171.11679	1.9
173.11710	100.0
174.12027	3.6
177.12727	3.1
179.14311	2.4
181.12234	2.0
183.11702	2.1
189.11186	17.2
190.14262	1.6
195.13754	14.4
213.14795	8.8
224.10130	1.5
233.15312	1.7
239.17970	3.8
257.19034	5.3
275.20023	48.5
276.20325	2.9
284.08441	1.6
284.94171	1.4
293.21072	13.9
320.19077	1.6
346.26956	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	346.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82366	0.3
53.03927	0.4
55.01866	0.7
55.05501	0.7
56.05038	0.4
56.96555	3.9
57.03426	0.6
59.04982	0.4
59.33008	0.3
59.89457	0.3
61.02908	1.9
69.03425	3.1
70.06568	0.8
70.44345	1.4
70.98106	1.0
71.01334	0.5
71.04984	0.6
72.08140	1.1
73.02899	1.3
73.06505	0.4
74.68336	0.3
74.97591	0.6
81.03397	1.0
84.08116	1.0
85.02899	5.4
86.09697	0.6
87.04446	0.7
88.99098	0.5
97.02864	2.6
98.97565	4.2
99.04421	0.4
101.00891	0.4
107.04987	0.4
109.02841	0.8
110.06042	0.4
110.97544	0.9
111.00221	0.7
112.07572	0.6
114.13605	0.3
116.07083	0.6
116.98598	1.9
117.00185	0.3
117.01078	0.4
117.01836	3.1
119.01884	1.2
119.04927	0.5
120.04430	1.2
127.01514	1.2
127.03893	1.3
128.98579	1.1
129.01910	0.4
129.10272	0.4
130.08611	6.0
131.01837	0.7
132.00642	0.4
133.01471	0.7
133.03485	0.4
134.99626	0.9
135.01329	0.4
137.05933	1.4
138.05472	2.9
142.02003	0.3
143.00208	0.5
143.01884	0.6
144.99632	0.6
145.04944	0.5
146.99652	1.8
147.04344	1.0
147.05748	1.0
148.03912	38.3
149.02910	1.1
149.04253	1.1
154.00226	3.0
154.50296	0.4
158.99634	1.3
159.04912	0.4
160.00267	0.5
161.01102	1.2
161.02866	1.1
161.24458	0.3
163.00826	0.5
165.00735	0.9
166.00201	1.2
166.04974	87.6
167.01009	1.0
167.05307	2.7
168.08905	0.5
172.97591	0.9
173.02875	0.4
174.55193	0.4
174.99373	0.4
175.00798	1.6
176.01459	1.1
177.00655	1.2
177.02153	0.5
177.04182	0.4
179.06987	0.4
184.06026	100.0
185.06361	2.8
186.04398	0.8
186.99248	0.6
187.00851	1.0
188.07614	0.4
189.00687	0.6
190.07527	0.7
190.95409	0.6
190.98602	1.9
191.02277	0.6
192.08858	0.6
196.01251	4.0
196.05792	0.7
196.08382	0.5
196.51497	0.6
197.02032	0.4
198.04411	0.5
203.02129	0.5
203.49664	0.3
204.05449	0.8
205.00127	0.8
205.01804	4.7
206.02533	0.8
208.99704	0.5
209.03246	0.5
216.05359	1.2
219.01625	0.7
219.03430	0.5
220.05956	1.9
220.08321	0.8
223.01151	0.8
224.07983	0.5
226.02316	2.7
226.06837	0.5
227.06732	0.7
232.96436	1.1
232.99577	0.6
234.06540	0.6
234.55840	0.3
235.02922	2.7
237.02831	0.7
237.10983	0.4
238.02365	0.8
239.12703	0.8
241.10510	0.7
241.61467	0.4
244.04306	0.4
247.02911	1.1
247.07303	1.3
247.52968	0.6
248.03648	0.4
254.13701	0.4
255.11850	0.5
256.03177	1.4
256.06943	0.4
257.04059	0.5
266.08914	0.5
274.97592	0.4
281.02014	0.5
283.11514	1.1
300.14154	1.1
305.03391	0.6
329.12119	0.9
346.11249	4.2
346.14862	1.0
348.06741	0.6
363.09027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	4.3
61.02890	3.8
63.87594	2.3
66.67326	2.1
71.18018	8.6
71.18391	3.0
72.08135	5.2
73.02908	2.2
81.03420	2.5
84.08111	3.1
85.02891	12.9
92.20832	2.3
94.06515	2.7
97.02892	4.2
98.97574	3.7
105.02333	2.4
107.04993	2.7
114.09129	8.9
116.98576	2.4
119.01821	3.8
130.08603	9.3
138.05482	4.7
143.01886	3.7
146.08090	3.3
158.99904	2.6
160.09567	3.7
161.02968	3.5
166.05005	2.7
166.08557	5.6
173.02977	3.0
174.11214	2.4
183.55791	3.0
184.05826	7.0
184.09662	9.1
184.99690	2.5
203.03891	2.9
214.90633	2.8
223.90796	2.5
245.05023	4.9
256.07642	3.0
257.05939	3.8
261.02658	2.7
346.08896	100.0
346.14960	5.0
347.07397	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	346.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
55.05507	3.8
56.05035	3.3
56.96560	89.0
57.03430	4.8
59.05003	0.9
60.95855	0.9
61.02921	14.3
68.05027	0.9
68.99799	0.9
69.03423	8.8
69.03776	1.0
69.07067	1.8
69.64084	4.5
69.64518	2.5
70.03752	0.8
70.06590	6.4
70.98116	10.4
70.98459	1.1
71.01357	2.0
71.04988	2.2
71.06939	0.9
71.95265	2.0
72.08134	6.1
72.96055	2.7
73.02898	6.2
74.97613	4.9
77.00903	1.4
78.00933	0.7
81.03413	3.7
83.04970	0.8
83.97631	1.8
84.04520	1.2
84.08144	8.4
84.96029	4.8
85.02898	20.1
86.03217	0.8
86.06079	1.3
86.09695	10.0
87.04462	2.2
87.09978	0.9
88.99149	12.5
91.02473	1.9
91.03969	1.1
91.05460	1.7
92.98667	0.9
93.07059	1.1
94.06561	0.9
95.04970	1.4
96.08141	1.9
97.02887	10.2
97.99232	0.8
98.06037	1.0
98.97572	26.7
99.04454	2.7
100.00018	1.2
101.00890	2.1
101.02387	1.4
101.99735	1.6
102.97054	1.2
103.03999	0.7
106.01028	1.6
107.00213	4.9
107.04942	1.5
109.00477	0.7
109.02884	2.9
109.03543	0.8
110.97571	3.8
111.00227	4.1
111.04475	1.1
111.53659	1.0
112.01064	1.5
112.07590	7.4
112.11233	0.7
114.09171	3.0
115.02420	1.2
115.03905	0.9
116.07114	1.5
116.98611	23.9
117.00291	1.3
117.01839	18.7
118.00990	5.0
119.01900	10.2
119.04913	2.1
120.00746	2.2
120.02090	2.3
120.04445	1.3
121.01653	1.7
121.04034	0.7
121.06451	0.9
122.06056	0.9
123.00255	1.2
123.04457	1.2
124.00990	1.5
124.99258	0.8
125.02627	1.2
126.00758	4.5
126.02312	1.6
127.01526	15.0
127.03925	5.6
127.51646	1.6
128.98581	12.6
129.00195	1.0
129.01917	0.9
129.10222	1.6
130.08629	76.6
130.93298	1.7
131.00139	2.3
131.01863	3.5
131.09030	4.4
132.00772	1.7
132.10156	3.5
133.01520	7.2
133.03438	3.9
134.02321	1.0
134.03677	0.7
134.99646	15.2
135.01242	1.7
135.03133	0.7
135.04315	1.0
135.99109	1.0
136.02034	1.0
136.06276	1.0
136.07567	2.5
137.02968	1.4
137.05968	7.4
137.08316	1.7
138.00787	2.3
138.02972	0.9
138.05479	4.3
138.06427	1.2
139.03876	1.9
140.00381	1.8
140.02400	0.8
140.03813	0.9
140.98599	1.8
141.01241	1.6
142.02025	2.5
142.05402	1.5
142.96544	1.7
143.00192	3.1
143.01895	2.3
144.00720	1.5
144.03340	2.5
144.98102	1.2
144.98570	0.9
144.99673	6.9
145.01648	1.7
145.03532	1.3
145.04971	2.6
145.49837	1.1
146.00470	0.9
146.99634	23.7
147.01282	3.4
147.03249	1.3
147.04405	6.4
147.05768	2.0
148.02097	1.6
148.03914	37.4
148.07471	1.6
149.01166	2.5
149.02974	5.9
149.04108	1.0
150.01845	1.7
150.03004	1.6
150.99719	1.8
151.02684	0.9
152.00462	2.4
152.05717	1.2
152.07028	0.8
153.00748	1.6
154.00229	18.6
154.02019	1.2
154.04921	0.9
154.50368	1.2
154.95328	0.8
154.96542	2.6
155.04549	0.9
156.01790	4.6
156.03442	0.8
156.99713	1.6
157.02562	3.5
158.01361	1.3
158.04872	7.3
158.99646	7.5
159.01187	1.4
160.00194	3.3
160.06427	11.6
160.09669	0.9
160.97635	1.9
161.01154	6.2
161.02919	5.0
162.99142	2.6
163.00635	1.7
163.02669	1.4
165.00711	20.7
165.02150	1.6
165.04083	0.8
165.51030	1.6
165.54703	1.5
166.00221	4.2
166.04987	93.2
166.08636	8.2
166.09790	1.7
166.56334	1.2
167.00967	10.3
167.02121	0.7
167.03998	1.3
167.05341	4.6
167.06903	1.8
167.51163	1.0
168.01729	4.3
169.00748	2.8
170.01361	1.7
170.04810	4.9
170.99654	1.7
171.01349	1.6
172.06470	2.3
172.09659	1.4
172.94315	6.4
172.97572	13.0
173.01108	4.0
173.02953	2.5
174.01808	1.4
174.55200	11.1
174.99153	3.9
175.00810	10.5
175.04199	1.2
175.05502	1.3
176.01317	7.9
176.05977	2.8
177.00710	10.0
177.02339	4.2
177.04027	1.7
178.07556	3.9
178.51794	1.4
179.00940	1.8
179.02296	1.3
179.07016	2.2
181.00693	1.6
181.03497	0.9
182.01497	1.6
183.01694	4.3
183.07751	2.6
183.55745	4.8
184.01460	5.3
184.06046	100.0
184.09563	14.7
185.01424	1.3
185.02960	2.0
185.06433	2.4
186.04355	4.3
186.06033	2.0
186.51405	1.1
186.99147	3.0
187.00829	3.1
187.04492	1.4
187.52426	1.0
188.02397	1.4
188.05928	9.5
188.07649	3.2
188.97083	1.8
189.00671	5.2
189.02446	3.4
189.04362	1.4
190.01276	1.4
190.05899	0.9
190.07530	4.7
190.09088	1.1
190.95435	11.4
190.98618	45.0
191.02164	3.2
191.03944	3.9
193.00179	3.4
193.01967	1.8
194.02058	2.0
195.01706	2.2
195.04968	1.2
196.01263	28.4
196.05959	0.9
196.51468	3.0
197.02022	4.8
198.02789	3.3
198.04448	1.2
200.04445	0.9
200.97025	1.1
201.00690	3.4
201.02278	1.6
202.01472	5.0
202.07491	1.9
202.98619	2.2
203.00401	1.1
203.02226	1.5
203.04004	2.7
204.03792	0.9
204.05467	5.0
205.00151	10.9
205.01826	26.2
205.03712	1.5
205.52014	3.2
206.00764	0.8
206.02547	4.9
206.06990	17.6
206.08780	2.9
206.98209	2.2
207.01729	2.4
207.03426	2.8
207.05247	1.4
207.07225	1.0
207.52054	3.2
208.96535	5.9
208.99667	11.7
210.02756	1.8
211.01799	1.8
212.02431	1.3
212.07637	1.6
213.03130	1.0
214.00249	1.1
214.02306	3.2
214.07451	4.5
214.52507	1.3
214.95383	7.5
214.98669	2.5
215.00586	1.0
216.05452	9.4
216.52676	2.5
217.00119	1.4
217.01872	4.9
218.02675	1.0
218.98174	8.0
219.01707	8.6
219.03470	4.0
219.05211	1.7
220.02513	8.0
220.05995	2.3
220.08507	3.2
220.52557	0.9
220.99640	1.7
221.03185	1.0
221.05106	1.6
223.01241	12.3
223.04695	1.2
223.09648	1.1
224.05804	1.2
224.08034	23.1
224.09953	1.3
225.56831	1.6
225.98993	1.0
226.02298	16.3
226.07025	1.3
226.52556	2.3
227.00453	1.7
227.02977	3.0
227.06741	4.1
227.56982	1.5
228.01880	1.1
228.03804	2.2
228.05637	1.8
229.08536	1.2
230.06796	1.6
230.08788	3.6
230.98134	1.6
231.03520	1.0
231.08897	1.3
231.52914	0.9
232.08478	10.4
232.10417	0.9
232.96443	42.2
232.99666	7.4
233.10472	2.8
233.96736	1.0
234.06516	6.7
235.02946	11.9
235.52942	3.1
236.03374	1.2
236.07835	1.0
236.99182	3.5
237.02736	6.6
237.10699	1.3
238.02309	6.5
238.09633	1.8
239.12587	1.1
241.02695	2.2
241.99670	1.1
242.03532	2.1
242.06906	1.2
242.09024	1.5
242.99718	1.6
243.99969	2.6
244.02423	3.0
244.04475	2.3
244.99522	2.2
245.01511	2.5
245.05092	3.0
246.06566	3.8
246.53627	1.3
246.57280	10.9
247.02924	9.9
247.07281	3.3
247.53058	2.3
248.03532	5.3
248.07953	5.1
248.99190	2.6
250.03726	0.9
250.97476	26.5
251.00624	6.3
254.08615	1.8
255.57701	22.3
255.98032	1.5
256.03256	11.1
256.07645	5.9
256.53604	1.7
257.04156	1.6
258.01605	1.2
258.06610	1.1
259.02994	1.5
260.08038	2.4
261.02762	1.6
262.03171	1.5
263.00757	3.3
264.04916	1.1
264.07562	1.7
265.56219	1.3
266.08929	2.2
267.00229	1.8
269.05298	1.0
272.53680	1.0
273.99298	1.2
274.02969	1.3
274.06076	1.3
274.54987	1.2
274.97440	3.9
276.02795	1.7
276.07559	21.2
277.07919	1.1
278.09003	2.4
279.03629	1.1
279.06985	1.1
280.55994	1.0
281.01608	4.2
283.11539	1.8
286.06323	6.3
292.07434	0.8
292.13800	2.3
292.98590	1.9
294.08514	4.9
300.14114	2.3
304.03638	1.3
304.07001	18.7
304.17780	1.3
305.01309	1.8
305.03745	1.6
305.07062	1.2
308.07324	1.0
318.08572	5.4
321.01337	1.0
321.08206	1.3
322.07986	2.6
323.02808	2.2
323.14578	1.0
327.08640	2.4
328.03683	7.8
329.03970	1.2
329.12003	2.8
330.08521	2.2
332.11935	6.0
333.12195	1.2
336.09723	5.7
346.04877	36.4
346.11322	2.9
346.14993	8.6
347.04913	2.5
348.06601	2.6
363.09030	0.9
364.05807	13.7
365.06097	1.3
369.06360	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	345.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	26.0
57.07058	8.6
59.04979	13.5
67.05498	27.0
69.03411	10.9
69.07058	70.1
69.83298	11.8
69.83731	18.9
71.04978	5.6
79.05469	15.9
80.27456	4.3
81.07047	100.0
81.69368	3.9
83.05011	4.5
83.08604	31.4
85.06507	10.3
91.05453	8.8
93.06522	5.9
93.07014	29.9
95.04981	5.5
95.08589	86.0
97.06509	9.3
97.10157	10.8
99.08073	10.0
103.05510	6.2
105.07011	17.1
107.08559	32.6
109.10145	62.9
111.08062	10.6
111.11691	23.1
119.08559	6.6
121.06407	4.1
121.10113	27.3
123.11694	66.8
125.09602	4.6
133.10081	6.0
134.41869	4.4
135.11710	22.8
137.05969	52.5
137.09631	4.1
137.13254	30.5
139.11159	5.7
145.10133	5.7
147.11705	9.7
149.13258	30.2
151.07558	5.9
151.14803	8.3
153.12732	13.9
155.14326	14.4
157.10091	5.6
161.13283	7.9
163.07489	13.7
163.14792	18.7
165.16397	5.9
177.09087	40.2
177.16379	16.3
189.16316	4.5
191.07112	5.2
191.17937	5.2
203.17882	10.1
204.06485	9.0
205.52594	4.2
217.19490	9.0
221.11687	6.4
238.16910	5.3
261.25732	16.7
273.25674	26.7
279.26746	28.2
291.26746	48.3
301.19824	5.4
309.27820	12.5
313.10571	8.1
345.13260	9.5
345.20624	5.1
362.58554	4.7
366.01389	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88458	1.6
53.03921	2.7
55.01869	4.0
55.05498	17.2
57.07074	11.0
59.05001	4.5
65.03942	2.7
67.05492	23.4
69.03418	6.5
69.07053	44.0
71.04987	5.8
71.08631	6.1
71.79805	2.4
71.80158	2.3
79.05474	14.9
81.03384	3.4
81.07046	100.0
83.04958	2.9
83.08604	20.6
84.08127	5.9
85.02887	6.7
85.06530	10.9
86.09692	3.7
91.05467	12.8
93.07027	28.1
95.04962	6.1
95.08598	65.1
97.02847	2.9
97.06511	11.6
97.10159	6.5
99.08077	5.6
100.39808	2.0
102.72746	1.6
103.05462	6.5
105.07019	18.7
107.04965	6.0
107.08582	30.3
109.06512	3.2
109.10146	44.8
111.04401	2.7
111.08068	14.5
111.11724	10.4
113.09600	1.7
119.08543	9.6
121.06484	2.6
121.10125	18.0
122.03625	4.6
123.08047	4.6
123.11685	33.1
124.05205	3.6
125.09597	4.4
125.13277	4.3
131.04951	10.2
133.06526	3.6
133.10124	5.1
135.08057	4.7
135.11667	18.9
137.05966	51.2
137.06999	3.3
137.09567	3.7
137.13225	25.4
138.06331	3.9
139.11113	3.0
143.08546	2.7
145.06494	2.7
145.10132	3.2
147.04353	3.0
147.11646	10.9
149.13229	19.7
151.03888	2.4
151.07567	5.8
151.11188	2.1
151.14751	1.8
152.73640	2.0
153.12744	8.7
155.14299	4.2
161.05850	4.7
161.13232	5.4
162.06659	2.4
163.07518	15.5
163.14816	8.0
165.09100	5.7
165.12759	9.0
165.16327	2.2
166.09492	4.7
167.07033	4.9
167.14284	2.1
171.11667	2.2
171.13786	2.3
172.03940	4.4
175.07555	2.8
175.14900	1.8
176.10693	1.9
177.09091	18.4
177.16408	6.5
178.09354	1.7
179.17908	2.6
183.06612	3.4
183.13663	2.1
189.09166	1.8
189.16367	2.1
191.06964	5.2
191.17979	2.2
201.09016	1.8
203.17941	2.4
204.06557	5.5
204.10249	2.9
205.06764	2.2
205.08578	10.3
205.19429	4.4
207.08217	2.4
209.05876	1.9
217.19629	2.4
223.07803	1.8
223.09616	11.3
227.07101	2.5
230.54683	1.9
243.45273	1.8
251.07178	2.5
253.08800	2.8
259.11108	1.8
267.10153	3.2
273.25714	5.8
279.26718	4.6
291.26758	16.6
295.09625	4.1
299.06140	2.4
299.09250	5.3
299.12613	2.3
302.17401	17.0
309.07541	2.1
309.27875	5.2
313.10590	10.4
314.11182	1.9
327.12183	5.1
345.06088	2.6
345.09546	5.8
345.13358	21.7
345.20239	9.8
346.20093	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	1.9
69.60127	12.5
70.06592	6.4
72.08142	2.7
72.10661	1.2
73.37904	1.1
79.05498	3.3
86.09706	8.6
87.10043	1.7
91.05470	3.5
93.07034	2.4
94.04176	3.2
94.06572	4.3
95.04958	1.9
103.05453	8.7
105.07034	6.0
109.06509	1.7
112.84543	1.2
115.05424	1.4
116.04984	1.8
116.07072	8.3
117.06989	2.0
117.13001	1.3
118.72672	1.1
121.02831	1.8
121.06511	1.7
122.03676	9.2
122.06004	5.2
123.04405	1.5
123.11710	1.6
129.15768	1.2
131.04918	11.8
133.06482	16.0
135.08073	6.2
137.05968	100.0
138.06335	1.6
140.07031	8.8
143.08531	1.8
144.04402	4.4
145.06470	3.4
151.07568	3.9
162.05476	2.2
163.07520	30.9
167.07021	1.6
172.03944	13.2
175.07504	2.4
177.09114	8.0
189.09242	2.0
191.07149	1.5
203.10678	1.6
204.06535	25.8
204.09416	1.7
205.08649	4.3
206.08151	5.5
214.16212	1.7
216.70250	1.3
223.09644	4.2
295.13278	4.0
303.04984	2.0
307.89822	1.4
313.10757	2.6
322.09100	1.4
338.82730	1.4
345.05942	4.2
345.09793	2.7
345.13757	2.9
345.19785	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	1.3
70.06588	1.7
70.12805	7.1
70.98052	1.2
79.05437	1.7
91.05467	2.7
93.07011	2.0
103.05445	8.3
115.05446	2.1
117.06995	4.9
119.04968	2.1
121.06498	1.7
122.03639	1.4
131.04913	14.2
135.08031	1.4
137.05960	40.0
139.73784	1.2
141.21394	1.4
143.08456	2.1
151.07524	10.2
161.05952	1.2
162.06670	2.7
163.07521	36.0
164.08003	1.2
175.07486	4.1
177.09087	100.0
178.09431	1.4
195.10114	6.9
215.74374	1.2
221.11685	7.7
237.19617	1.2
239.06821	1.7
265.68466	1.2
269.08276	1.6
299.09137	4.9
299.12451	2.4
320.82169	1.2
327.12106	3.6
345.13153	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88729	0.7
53.03900	1.1
55.01859	0.8
65.03927	1.7
67.05478	1.4
69.07050	1.0
70.06589	1.1
71.79774	1.0
79.05481	2.0
81.07037	1.6
85.02899	0.9
86.09690	0.7
91.05469	3.8
93.03381	1.1
93.07027	2.4
95.04971	1.4
95.08605	1.6
96.02110	0.9
103.05459	8.2
105.07021	1.4
107.04921	0.8
107.08569	1.3
109.02863	0.9
109.06499	1.2
109.10122	0.8
111.04424	6.8
115.05424	1.7
117.07029	4.2
119.04924	1.8
119.08525	1.5
121.06504	4.7
122.03629	3.2
123.08022	2.4
123.11698	1.1
128.06171	1.4
129.06938	1.1
131.04912	17.1
131.08522	0.8
131.13147	0.7
133.06465	1.5
133.10103	0.9
135.08064	0.9
137.05962	51.7
138.06348	1.1
139.03912	3.8
143.08522	2.2
145.06436	2.2
147.04395	2.9
147.08015	1.1
149.05986	1.6
149.09607	1.0
151.03761	0.9
151.07529	13.1
153.07013	0.8
157.06477	1.3
159.08054	1.2
160.08911	0.9
161.05948	4.0
162.06741	3.6
163.07518	37.7
165.06946	1.7
165.09041	0.8
167.03358	0.9
167.07050	0.9
169.06439	1.0
171.07990	1.3
172.03815	1.2
175.07570	5.4
177.09087	100.0
178.09435	2.3
179.07019	1.6
179.08507	1.6
181.06467	2.4
182.07193	1.4
183.08023	0.8
187.07590	1.7
188.08279	1.8
191.07068	1.0
191.17085	0.8
193.06477	1.0
195.08337	1.2
195.10167	7.8
196.05139	1.2
197.06042	0.8
198.06721	3.4
199.07532	1.1
203.07089	1.3
203.10681	1.3
204.06583	1.2
205.06636	0.7
205.08571	1.1
207.08035	2.4
208.08672	0.8
209.05962	1.6
210.06720	1.3
211.07501	3.0
211.11119	1.6
213.05449	1.3
221.05974	0.8
221.11670	7.9
223.07524	1.1
223.09616	1.0
224.08209	1.5
225.05403	0.9
225.09052	2.6
226.06306	1.1
227.06940	0.9
228.07787	1.2
235.07455	2.0
237.09145	0.9
238.06206	1.0
238.09827	1.7
239.07053	6.2
239.10582	3.7
240.07710	2.5
241.04842	1.4
241.08536	2.6
242.09164	0.7
243.06477	2.7
249.09082	1.8
251.06987	1.3
252.07666	1.2
253.05316	0.7
253.08359	4.1
253.12367	1.7
255.06418	0.9
256.07288	3.4
257.08023	0.9
258.06223	0.7
258.08954	1.4
267.06812	1.6
267.10132	6.4
268.07132	5.1
268.09830	0.8
269.08081	7.9
271.09531	1.7
271.13361	1.2
281.08109	1.7
281.11609	1.7
283.09518	1.3
284.06744	1.2
284.10327	3.5
285.11188	2.5
286.08224	1.6
295.09579	3.6
296.10254	2.9
299.09085	21.4
299.12704	6.1
300.09412	1.0
309.11145	1.0
313.10721	4.9
315.12222	1.1
327.12207	22.4
328.12698	1.5
345.13251	18.6
345.20984	2.5
346.13614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1691
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
55.01867	0.8
55.05496	0.5
59.04976	0.6
65.03924	3.9
67.05495	0.6
69.03432	0.8
69.07046	1.0
69.74601	0.5
70.39107	0.5
70.81385	1.0
78.04262	0.5
79.05487	2.8
81.07037	1.5
91.05481	4.6
93.03371	3.3
93.07021	1.5
94.04154	1.8
95.04932	2.1
95.08575	1.5
97.02866	0.9
100.58804	0.5
101.55067	0.5
103.05444	2.1
105.07016	20.1
107.04951	3.1
107.08556	1.3
109.06476	1.2
109.10140	1.0
110.03661	0.7
111.04424	9.7
117.07031	1.4
119.04932	2.4
119.08513	1.1
121.06459	1.2
121.10112	0.7
122.03638	4.5
123.11697	2.1
124.05233	1.2
125.05980	10.8
127.03903	0.7
128.06209	1.5
131.08582	1.6
133.06470	16.1
133.10173	0.6
133.63263	0.6
134.05937	0.8
135.08037	1.4
135.11703	0.9
136.05174	0.6
137.05960	100.0
138.06316	2.0
141.05440	1.0
143.08543	4.7
145.06471	4.2
145.10089	0.6
147.04375	0.8
147.08032	0.6
149.06015	0.6
151.03899	30.0
151.04962	2.1
151.07521	18.6
152.09500	0.6
153.05449	24.4
159.08066	4.0
162.06729	2.3
163.07524	2.5
165.09099	29.4
171.08022	6.2
177.09050	5.9
181.08578	3.8
187.07573	0.8
188.08372	4.2
189.09053	0.7
191.10663	3.1
203.10652	17.2
205.08565	5.7
219.09955	0.6
221.11708	44.1
222.12056	0.8
223.09624	8.8
261.11166	0.7
263.10626	0.8
273.03845	0.8
295.13248	1.2
321.62515	0.5
327.08871	0.8
327.15903	3.4
327.19345	0.7
345.09601	2.2
345.16885	4.0
345.20578	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	345.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53345	0.4
55.01827	0.5
55.05490	0.6
56.77372	0.3
57.03423	0.4
58.54217	0.3
59.21653	0.4
65.03946	0.6
67.05491	2.6
68.05006	1.2
69.07054	4.2
70.06569	0.8
71.04973	0.9
71.79130	0.5
72.08138	0.8
76.14782	0.4
76.97288	0.4
79.05476	1.1
80.05003	1.2
81.07054	0.6
83.04990	0.5
84.08126	0.6
85.02889	1.1
86.09687	1.2
89.03904	0.5
91.05473	0.8
93.05770	0.4
93.07019	0.6
94.06555	13.9
94.97000	0.3
95.04955	1.9
95.08555	0.5
96.04465	0.4
97.06511	0.8
103.05456	0.5
103.65483	0.3
104.09065	0.4
107.04919	0.5
107.08605	0.4
108.08088	1.7
109.06512	0.4
110.06051	2.1
112.07569	1.8
116.04965	5.6
118.06503	0.7
119.04945	0.4
119.08555	0.5
121.06522	0.4
122.06010	26.6
123.04392	1.8
123.06380	0.6
131.04890	1.3
133.06462	0.7
137.05965	6.4
140.07039	37.9
141.07770	0.8
144.04417	11.4
146.05994	8.9
147.04350	0.6
148.07552	0.6
151.07538	0.4
154.08525	0.7
155.07057	0.4
161.05963	0.7
162.05486	6.7
162.06818	0.6
163.07460	1.7
165.05496	0.5
165.12738	0.5
167.07025	0.7
172.03909	57.3
173.04312	1.4
174.05476	3.8
175.07535	0.6
177.09100	1.0
178.08664	0.5
183.13937	0.4
190.04909	1.9
191.06947	0.4
192.06508	0.5
204.06531	100.0
205.06938	4.0
206.08098	19.8
207.08229	0.7
211.07462	0.5
223.09503	0.8
224.52660	0.4
228.89897	0.4
232.00456	0.6
253.08589	0.4
259.99976	0.4
285.11432	0.5
295.09854	0.5
300.12170	1.6
313.11560	1.9
327.12906	1.4
328.11777	0.5
331.12927	2.9
345.14426	5.5
345.19095	0.4
345.20142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1324
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01874	3.2
55.05500	9.5
57.03422	5.7
65.03927	5.1
65.64590	2.8
67.05482	5.0
69.03410	3.6
69.07045	4.7
70.06573	10.7
70.07418	2.6
71.05003	2.6
71.79752	1.9
71.80151	2.6
72.08125	4.8
79.05484	8.2
81.03395	3.1
81.07051	11.9
83.04984	2.6
83.08589	5.1
85.02876	7.2
86.09695	6.5
91.05457	9.8
93.07040	9.1
95.04962	5.3
95.08597	11.1
96.02081	6.8
97.06493	5.7
100.11237	12.4
101.11554	7.8
103.05444	6.5
105.07005	6.9
105.99567	2.4
107.04960	3.1
107.08572	8.9
109.02905	3.2
109.06447	3.2
109.10165	3.4
111.04437	27.8
112.07563	6.3
113.07922	2.7
115.05473	2.8
117.07030	3.8
119.04955	2.6
119.08512	4.0
121.06474	6.5
121.10168	2.8
122.03649	6.9
122.06045	3.1
123.04391	3.5
123.11688	14.5
127.03954	2.8
128.06160	3.4
129.06987	4.3
131.04901	13.2
133.06461	4.1
134.05995	4.0
135.07997	4.2
135.11751	5.7
137.05966	59.9
139.03915	20.7
140.07030	4.0
143.04985	2.6
144.05681	3.8
145.06471	5.0
145.10094	3.3
146.72853	2.2
147.04419	3.5
147.08037	4.1
147.11658	3.0
149.05946	4.0
151.03926	3.1
151.07506	6.6
153.05463	3.7
153.06973	4.5
157.06473	3.7
159.08005	7.6
160.08855	5.4
161.05948	7.5
161.09593	4.8
162.06717	5.8
163.07541	30.2
165.05560	3.1
165.06976	5.2
167.03397	6.0
167.07025	3.3
167.08473	4.2
168.05640	2.4
169.06461	5.5
171.08047	3.7
171.11781	3.3
172.03900	4.0
175.07564	5.6
177.05536	3.7
177.09090	44.9
177.10562	3.3
178.07727	4.0
179.08514	8.2
181.06467	7.8
182.07208	2.5
183.08015	4.4
185.05989	6.5
185.09636	3.3
187.07512	5.9
188.08331	6.7
189.07045	2.7
189.09116	6.4
191.06996	6.8
193.06560	3.2
195.07985	7.4
195.10110	4.5
196.05305	3.1
196.08882	3.6
197.06020	4.9
198.06778	16.6
199.07378	4.1
200.08295	3.3
203.06914	3.5
204.06534	10.2
205.06711	4.4
205.08566	29.4
206.07220	2.5
207.08002	10.4
208.08899	4.1
209.05981	6.0
210.06744	4.8
211.07582	10.6
211.11244	7.3
213.05460	6.4
213.09067	8.2
214.22766	2.5
221.05933	3.9
221.09665	5.1
221.11693	5.3
223.07570	8.2
223.09648	37.8
224.04646	2.8
224.08208	8.4
225.05377	2.9
225.09023	6.3
226.06223	7.1
227.06995	5.6
228.07787	4.3
228.11336	2.7
234.06754	3.4
235.07529	7.3
236.08249	2.8
237.05464	3.0
237.09183	3.4
238.09764	11.1
239.07014	23.8
239.10699	14.4
240.07710	9.6
241.04929	4.4
241.08615	15.4
243.06554	17.2
243.10112	4.6
249.09113	4.7
251.07069	3.0
252.07764	6.1
253.08531	12.9
253.12248	4.7
255.06444	3.9
256.07361	16.2
258.08716	3.4
261.11292	2.9
265.08444	2.5
266.09271	5.3
267.06607	6.1
267.10144	25.4
268.07303	21.3
268.10428	4.4
269.04349	2.9
269.04840	3.2
269.08069	30.4
270.08795	3.4
271.09650	8.8
271.13254	5.2
281.08090	8.2
283.09592	3.3
284.07156	3.7
284.10477	14.2
285.10974	6.3
286.08334	7.6
295.09659	12.8
296.10391	8.3
299.09204	100.0
299.12766	20.7
300.09387	3.0
309.07678	3.4
309.11151	4.6
313.10678	24.6
317.13980	4.5
317.20718	4.6
327.12244	88.9
327.15677	3.4
327.19669	3.9
328.12488	3.9
330.69394	2.4
344.31094	5.5
345.06024	4.3
345.09760	5.8
345.13324	83.6
345.20377	37.3
345.31180	22.8
346.13617	6.1
346.20016	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	345.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
58.06588	6.4
59.06904	0.7
65.03923	0.7
67.05459	1.0
68.05009	0.6
69.03408	0.8
69.07059	2.2
70.06574	1.0
71.03996	0.8
71.04346	0.6
72.08146	0.5
79.05482	1.1
80.04987	0.7
81.03419	0.7
81.07060	0.9
83.56693	0.4
84.08141	0.9
85.02890	0.4
86.09681	0.4
89.03906	0.6
91.05464	2.1
93.07034	0.7
94.04186	2.6
94.06544	6.8
95.04945	1.5
95.08606	0.5
98.05996	0.5
103.05460	0.9
105.07014	0.7
107.04925	1.1
107.08550	0.5
108.08080	1.1
109.06486	1.2
110.06003	0.8
111.04433	0.6
112.07576	1.2
115.05424	1.5
116.04959	2.5
116.07053	1.1
117.06988	0.6
119.04896	0.7
119.08535	0.4
121.06493	1.2
122.03627	8.0
122.06007	12.6
123.04441	0.8
125.05992	0.7
131.04922	2.2
133.02838	1.0
133.06480	0.6
135.04427	0.5
137.05956	100.0
138.06285	3.8
140.07040	17.4
140.08144	0.9
143.04915	2.2
144.04395	5.9
144.05344	0.7
145.05206	0.4
145.06471	0.5
146.05994	3.5
147.04404	0.7
147.06879	0.5
149.05972	1.5
151.03853	1.0
151.07507	1.5
153.05426	0.5
159.04369	0.6
160.05196	1.0
161.05946	3.3
162.05504	3.5
162.06711	0.6
163.07530	1.4
165.05576	0.7
165.06989	1.9
165.12733	0.5
167.06995	1.0
167.08395	0.5
172.03911	24.7
172.05064	0.9
173.04384	0.9
174.05466	2.1
175.07529	4.2
176.04662	1.1
176.07852	0.8
177.05392	0.6
177.06839	0.4
177.09090	1.4
179.08542	1.4
181.06451	0.8
182.07217	0.6
184.25244	0.3
189.06973	0.4
190.04910	0.5
191.07037	3.6
193.06499	1.1
194.07237	1.0
195.08076	0.8
197.09575	0.5
203.07069	1.4
204.06531	46.5
205.06734	2.8
206.08139	9.3
207.08102	2.2
209.05930	0.4
210.06773	1.4
211.07460	1.1
217.06474	0.5
221.04060	0.4
221.05968	1.8
221.07903	0.8
222.06740	1.2
223.07581	0.7
224.08156	1.3
225.08975	1.7
227.07021	0.5
227.10667	0.4
233.06020	1.0
234.06519	1.8
235.07434	1.8
236.07954	0.7
237.09090	1.6
238.06128	1.2
239.06934	0.5
239.10614	1.1
241.08549	0.9
249.09068	1.6
250.06198	0.5
251.07027	1.0
252.07793	0.8
253.08513	2.6
255.06505	0.4
255.09798	0.4
263.07050	0.5
265.08624	3.0
266.09158	0.6
267.10074	2.9
268.10397	0.5
270.08707	0.7
273.11124	0.6
277.08578	2.4
279.06577	0.4
285.11169	3.7
294.08835	1.4
295.09622	1.5
297.11197	2.4
298.11481	0.4
299.12775	0.8
300.12546	1.1
309.11145	4.8
310.11777	0.4
313.11087	1.9
327.12375	2.4
327.22940	0.5
331.12851	1.4
345.13623	4.3
345.18890	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.68343	1.5
56.96561	8.5
57.03420	6.8
61.02900	5.4
68.97298	1.8
69.03422	9.5
69.83389	5.6
69.83819	6.6
70.06561	5.6
71.04991	1.9
72.08129	5.3
73.02898	6.7
81.03405	2.3
84.08120	3.9
85.02896	20.8
85.06531	1.7
86.09657	1.8
91.03935	2.3
96.08078	2.5
97.02873	9.2
98.20677	2.8
98.97572	12.7
99.04451	1.9
101.02351	2.0
109.02811	2.8
110.06021	2.5
110.97541	2.3
112.07536	2.6
113.14175	1.8
114.09136	12.8
115.09483	2.5
116.07084	2.7
116.98598	6.9
119.01880	7.8
127.03896	7.0
128.98584	3.8
130.08644	13.5
131.01860	4.2
134.99629	2.1
136.07573	3.7
137.05957	4.1
138.05475	7.0
143.01897	4.5
145.03488	2.4
145.04935	5.9
146.08093	3.8
146.99571	2.4
148.03917	3.8
155.01854	3.1
158.99644	3.2
160.09666	5.3
161.02931	6.1
161.05850	2.5
166.04932	8.2
170.99696	2.2
172.06479	2.0
173.02934	6.5
174.04489	2.5
174.08136	2.6
174.55212	5.3
177.00757	4.8
183.07552	3.2
183.55783	3.1
184.06015	2.2
184.72267	1.8
185.02969	6.0
186.04425	2.9
188.05939	3.6
189.00713	3.3
190.07506	3.1
191.02278	2.5
191.03943	2.1
198.04413	3.8
200.04301	2.4
201.00687	4.4
201.02443	4.3
203.03993	3.4
204.03728	1.9
215.03996	2.2
216.05371	9.7
217.05669	4.6
219.01747	3.2
222.05806	1.7
225.02711	2.3
234.06483	7.5
235.06673	2.0
236.10658	2.9
237.02658	3.4
238.12346	1.9
243.03679	3.0
245.05031	8.4
255.01823	1.9
255.06432	2.1
255.57869	9.2
261.02985	4.0
263.06229	2.0
264.07745	3.6
273.02991	2.2
282.11368	3.6
299.15274	1.8
328.12012	2.6
331.05206	3.1
345.05899	5.3
345.09424	100.0
345.13177	4.2
345.22324	3.6
346.09012	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	344.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.0
53.03917	5.7
55.01840	5.8
55.05511	16.3
57.03433	26.4
57.07066	3.2
67.05494	48.4
69.03404	6.0
69.07055	78.0
71.04979	38.4
79.05482	51.0
81.03400	35.7
81.06593	5.1
81.07042	64.5
83.04948	10.5
83.08597	9.8
85.02888	3.6
85.06518	8.3
85.83659	2.8
89.43932	2.9
91.05464	38.0
93.07023	50.4
95.04958	53.9
95.08591	33.5
96.83662	3.2
97.06516	100.0
97.10163	4.2
99.08078	12.8
105.07014	26.6
106.71378	3.1
107.04926	9.5
107.08584	28.3
109.06499	25.5
109.10123	9.9
111.08041	6.3
113.05964	10.6
115.07556	43.4
117.06976	16.6
117.63737	3.0
119.08564	21.8
121.06474	9.1
121.10126	19.0
123.08016	10.1
125.09605	4.5
129.07025	6.5
131.08568	28.1
133.06470	6.2
133.10094	15.8
135.08041	10.7
135.11649	13.8
137.05945	3.9
137.09608	3.5
139.07484	2.9
141.07007	3.8
143.08485	8.1
145.10072	18.5
147.08046	7.4
147.11652	7.4
149.09616	7.2
149.13203	9.8
151.07419	3.7
155.08542	3.5
157.10074	8.3
159.08037	3.5
159.11668	13.6
161.09608	7.8
161.13210	7.1
163.11119	4.8
165.09097	4.5
169.10139	4.5
171.11659	6.0
173.13232	4.6
175.11209	5.7
175.14789	3.8
177.12724	11.2
183.11681	6.1
185.13292	3.6
187.11162	6.7
195.13791	10.4
201.12802	5.6
205.08577	3.4
217.15907	3.7
219.13661	5.9
221.15401	5.2
223.09564	5.9
223.13257	11.4
245.19014	4.6
273.04016	3.1
273.18317	16.1
291.19559	17.6
344.19077	4.2
344.26004	3.9
345.20453	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	344.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05505	16.0
55.98820	1.2
57.07058	1.9
57.45987	1.2
67.05490	16.3
68.05038	1.2
69.07056	9.3
70.06578	11.7
70.25586	1.0
71.11522	2.8
79.05473	17.3
79.90955	1.0
81.07043	24.8
81.86884	1.3
83.08595	2.1
91.05462	19.6
92.23558	1.2
93.07031	18.6
93.17576	1.1
95.04990	2.0
95.08590	13.5
96.08138	1.6
97.06533	1.2
97.10146	3.3
102.69765	1.1
103.05509	1.7
105.07013	22.0
107.08575	13.4
108.08132	1.3
109.10146	5.3
110.10551	1.0
115.05434	1.4
117.06991	24.7
118.06544	1.1
119.08560	29.1
120.08078	2.2
121.10129	9.4
122.09638	1.8
123.11681	3.0
128.06207	2.2
129.06979	9.8
130.07767	2.6
131.08548	31.9
132.08907	1.2
133.09203	1.4
133.10101	8.6
134.09630	1.6
135.11678	4.0
137.05943	4.0
143.08542	9.9
144.08150	1.4
144.09294	6.1
145.08978	1.8
145.10092	46.3
146.09550	6.1
146.10652	1.7
147.10416	3.1
147.11678	6.7
148.11150	2.5
149.13234	2.5
153.05446	1.3
157.08969	1.1
157.10080	6.3
158.09608	3.5
158.10855	1.7
159.11673	20.7
160.11203	3.9
161.11998	2.3
161.13246	4.4
170.09595	1.5
171.11624	6.0
172.11107	2.5
172.12466	1.4
173.11888	2.2
173.13255	18.7
174.12759	7.8
174.14088	1.7
175.14839	1.6
183.11646	1.4
185.13293	3.6
186.12744	4.9
187.14790	10.4
188.14345	2.0
200.14180	7.7
201.16336	2.0
205.08505	2.9
211.14838	1.3
214.15930	5.0
216.17427	1.9
223.09669	4.7
226.15906	3.5
228.17448	11.3
229.19568	35.9
230.18979	8.6
240.17436	3.9
242.18961	2.8
254.19040	2.9
256.07895	1.2
268.20599	1.2
296.23560	1.2
298.25241	100.0
299.25616	7.2
327.19684	1.3
344.19220	2.1
344.25845	34.7
344.30444	2.0
344.31744	1.8
345.09811	1.9
345.20654	2.5
345.26047	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01871	5.7
55.05510	19.5
57.03421	15.5
57.07066	3.5
62.14791	3.6
63.11425	3.1
65.03942	3.4
67.05136	4.1
67.05497	64.5
68.03980	3.4
69.03412	7.0
69.07061	65.9
71.04980	23.5
71.79611	5.3
79.05488	53.0
79.71350	3.3
81.03409	44.5
81.07043	72.7
83.01363	4.8
83.04965	14.6
83.08612	11.8
85.02907	7.1
85.06523	11.4
86.06076	4.1
91.05470	47.4
93.07046	51.3
95.04958	59.4
95.08595	49.1
96.08933	3.7
97.02879	5.1
97.06517	100.0
97.10139	4.7
99.04420	3.8
99.08097	12.0
103.05452	6.9
105.07013	44.2
107.04951	14.5
107.08582	38.6
109.06513	29.9
109.10143	19.4
111.08058	7.8
113.05999	12.6
115.07564	27.2
117.06985	23.1
119.08579	29.3
120.08105	6.3
121.06473	13.0
121.10125	18.5
123.08052	11.0
123.11652	7.4
129.07031	8.5
131.08536	28.0
132.08821	4.3
133.06491	4.5
133.10136	24.1
135.08037	15.9
135.11668	26.6
137.05977	13.2
137.09569	8.4
141.07022	3.9
143.08589	6.4
145.06487	4.0
145.10120	17.3
147.08020	6.7
147.11673	13.1
149.09627	9.5
149.13257	10.8
151.03847	8.4
151.07602	4.8
152.04340	3.7
153.09135	3.9
157.10109	7.6
159.08054	6.7
159.11685	21.0
161.09616	8.9
163.07497	11.9
163.11160	10.0
165.05368	4.2
165.09160	8.0
168.44083	3.8
169.10023	4.1
171.11681	5.6
173.13240	6.6
175.07513	4.3
175.11232	3.8
176.29074	3.4
176.42336	3.8
177.09163	16.1
177.12759	15.8
180.10744	3.5
183.11720	6.0
185.13313	7.3
187.11130	4.4
189.12770	5.2
195.13817	10.0
201.12724	7.1
205.08527	29.6
205.12126	3.6
217.15891	6.2
219.10091	4.2
219.13826	7.8
223.09636	44.7
223.13202	17.3
227.18027	4.6
245.19130	4.0
249.15025	4.9
261.03922	3.6
261.11252	4.6
273.03824	6.2
273.18518	12.5
276.32071	3.8
281.08029	4.6
291.19479	19.5
309.07587	4.5
327.08743	5.3
327.19553	4.6
342.96002	3.4
344.19376	22.9
344.25928	12.1
345.09598	14.9
345.13348	3.7
345.20450	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2217
Annotation	Polysignine
Peak:m/z	Relative Intensity
53.10962	0.4
55.05474	0.9
62.13374	0.4
65.03885	0.5
67.05446	1.3
68.04999	0.5
69.07005	1.4
69.07368	0.4
71.79755	0.6
79.05494	4.0
80.04961	0.7
81.07040	2.7
83.04942	0.5
91.05466	4.1
93.07040	4.5
95.04961	0.4
95.08600	2.7
103.05456	9.9
105.07012	4.0
107.04950	5.1
107.08551	2.5
108.08109	15.6
109.08878	1.0
109.10086	0.9
110.09658	0.9
119.08533	1.4
120.08115	3.3
121.06464	0.5
121.10058	0.6
122.09654	8.8
123.07980	0.4
123.10350	1.6
123.11672	0.8
126.62366	0.4
129.06935	0.5
130.06503	2.8
131.04930	5.5
131.08533	0.6
132.08037	2.2
133.06421	0.7
133.10062	1.1
134.09589	0.8
135.11665	3.2
136.11212	4.3
137.05959	3.5
137.13203	0.7
145.06367	0.7
145.19347	0.4
148.11130	0.6
149.05914	0.8
150.12772	21.9
151.03906	4.2
151.07494	0.8
151.13568	7.2
152.04213	2.4
152.07025	0.6
152.14311	3.9
153.05421	0.6
153.12656	0.8
161.13121	0.6
163.07491	0.8
164.14275	0.9
165.09085	1.0
166.08574	0.5
166.12250	0.7
170.09608	0.5
177.09035	1.0
180.10191	4.7
191.06934	0.6
191.10739	0.4
195.11513	0.5
198.86217	0.4
200.14287	1.9
203.90764	0.4
205.08598	2.1
206.08937	0.4
209.13983	0.7
221.11641	0.9
223.09599	2.6
228.10114	1.6
246.14919	1.4
254.19014	3.0
256.13257	0.8
270.14877	1.9
272.16306	0.7
272.20248	0.6
281.08008	0.5
298.18036	1.2
300.19547	100.0
301.19873	6.7
302.21240	2.9
327.08661	0.6
343.37405	0.5
344.22189	79.6
345.09552	0.6
345.22720	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	344.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01866	1.2
55.05501	1.3
56.05024	1.3
57.03409	1.1
59.04994	46.1
60.04523	1.0
60.22089	1.0
61.02916	3.2
64.61971	0.8
67.05499	1.3
69.03428	8.0
69.07041	1.7
70.06590	8.6
71.78805	1.5
72.07782	1.4
72.08138	7.8
73.02911	1.9
77.06026	2.9
79.05489	1.5
80.62406	0.9
81.03407	5.2
81.07042	1.2
83.04991	0.9
84.04500	3.7
84.08133	3.5
85.02900	24.0
85.06507	1.4
86.09690	3.9
87.09957	0.9
89.06020	14.8
91.03949	1.5
91.05470	4.2
94.02953	1.1
94.04191	1.0
94.06580	1.1
95.01283	1.0
95.04976	2.5
95.06034	1.0
96.04487	1.3
97.02895	8.8
99.04443	1.0
103.07570	54.1
104.07895	1.4
105.07034	1.0
106.02927	2.8
107.04952	1.3
107.06047	1.5
109.02863	4.4
112.05643	0.9
113.06012	0.9
114.09179	2.0
115.05408	0.8
116.07092	4.0
119.04939	10.7
119.08590	0.9
121.08628	1.1
122.03670	1.8
122.05997	1.2
123.04422	1.7
123.11703	2.1
124.03954	5.3
125.06033	1.1
127.03976	5.9
129.10234	2.3
130.05002	1.6
130.08606	1.9
132.04414	2.0
132.10196	1.1
133.08601	5.7
135.04408	1.3
136.04800	1.2
136.07507	2.2
137.05965	22.8
137.06995	1.9
138.05522	2.6
140.07047	7.4
145.04964	3.4
146.03223	1.0
147.04395	61.0
147.10149	1.0
148.04788	1.7
151.06169	1.3
151.07520	1.4
155.07027	0.9
161.05914	1.1
163.03903	6.7
163.07521	1.0
164.04253	5.9
164.05421	0.8
164.05847	0.9
164.07063	7.7
165.04062	1.3
165.05470	35.1
165.11212	100.0
166.05797	2.1
166.11580	3.8
167.07039	1.7
169.04309	2.2
175.07555	0.9
176.16684	0.8
177.09192	1.1
179.07108	0.9
179.08542	1.0
180.08713	1.0
181.04919	1.2
182.08145	5.7
182.11734	1.4
183.06584	1.7
185.09326	1.4
191.07004	2.1
196.09744	1.5
203.07088	1.2
205.08621	4.0
211.07397	1.0
223.09554	4.0
228.11540	1.0
237.11299	1.0
241.10045	1.5
250.07060	1.6
268.08139	2.3
285.11340	1.1
300.17371	4.8
326.12305	2.5
327.12079	1.1
344.13028	5.6
344.19296	3.5
345.12918	7.3
345.20291	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	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
54.30765	0.3
55.01846	0.6
57.03415	1.5
58.06599	2.3
60.04507	1.4
61.02911	1.5
67.86443	0.5
69.03419	4.2
70.06583	2.8
70.24288	0.3
71.03618	1.1
71.04954	0.4
72.08149	0.8
73.02905	0.9
81.03413	1.9
81.03815	0.3
82.63670	0.3
84.08115	0.8
85.02888	16.1
86.09682	2.1
91.03930	0.5
91.05459	4.7
95.04966	0.6
96.04433	0.4
97.02885	3.8
97.06533	0.4
99.04425	0.8
105.07016	0.7
109.02856	1.7
114.09189	0.5
116.07082	2.5
119.04926	15.7
120.05236	0.7
123.04410	2.6
127.03892	3.0
131.04865	0.6
133.06451	0.6
134.06815	0.4
135.04346	0.6
137.05948	2.8
139.03824	0.6
143.04799	0.4
145.04913	3.8
147.04381	100.0
148.04727	3.4
151.03830	0.5
163.03874	1.4
163.05969	0.4
164.04224	1.0
165.05450	56.6
166.05760	1.6
175.07555	0.7
177.05466	0.7
180.08629	1.9
182.08110	1.4
198.05949	0.6
199.55199	0.4
201.12315	0.7
249.07559	0.4
313.25354	0.3
344.13391	1.3
344.18536	2.7
344.24426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28201	0.7
53.03932	1.8
55.01853	2.9
56.96191	0.7
57.03413	3.3
61.02917	7.9
69.03419	11.8
69.44109	2.0
69.44517	5.9
71.04971	2.0
73.02894	2.9
79.05483	2.1
80.77042	0.7
81.03400	5.6
81.07024	1.4
85.02893	55.1
86.09667	0.9
87.04464	1.2
91.03947	5.7
91.05446	0.9
93.07055	0.8
94.43620	0.7
95.04953	1.3
96.17480	0.7
97.02308	1.2
97.02881	16.4
98.20708	1.6
99.04449	3.4
102.42565	0.8
103.05439	0.9
105.07013	15.4
109.02863	6.8
111.04444	0.8
112.84559	0.7
119.13098	0.7
122.03626	0.9
124.05192	26.7
127.03891	12.1
131.04852	1.1
133.02879	1.1
133.05525	1.1
133.06476	16.7
136.04695	1.0
137.05962	29.7
138.06294	1.0
145.04936	19.9
151.03851	0.8
160.59593	0.7
163.03831	1.9
163.05971	1.9
163.07451	1.5
164.04190	1.8
165.09087	100.0
166.09444	2.3
180.08664	3.0
193.35089	0.7
212.23825	0.7
224.10146	0.7
240.07907	0.8
252.64839	0.7
265.08505	0.7
344.30762	0.8
345.13235	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	344.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02710	0.8
52.16733	0.6
53.60371	0.6
55.01847	2.1
55.05506	1.6
56.96294	0.7
56.96554	14.5
57.03415	3.5
58.06593	8.9
59.04967	1.0
61.02905	3.6
67.05490	1.4
69.03423	10.0
69.07040	2.6
69.49585	8.6
70.06580	7.3
71.04968	2.1
72.08141	4.1
73.02900	3.8
73.06516	1.4
73.07421	0.7
74.37900	0.7
79.05479	1.2
81.03410	4.1
81.07024	1.2
83.04982	1.2
83.06080	1.0
84.04487	1.9
84.08134	7.0
84.96004	2.4
85.02893	17.4
85.06515	1.5
85.08473	1.1
85.75320	0.8
86.09685	3.8
87.04435	1.6
91.03940	1.3
91.05450	1.6
93.48696	0.8
95.04956	1.5
97.02876	10.0
97.06512	1.1
98.06038	3.1
98.97565	13.5
99.04432	2.3
103.07580	0.8
105.06946	1.2
107.04934	1.3
108.04482	0.8
109.02877	2.7
109.06488	1.0
110.06023	2.1
110.07173	0.8
110.97569	1.5
111.04433	1.7
111.53630	0.9
112.07591	18.5
113.02355	0.9
113.05989	1.0
114.09143	2.7
114.10277	0.7
116.07063	1.9
116.98602	8.8
119.01855	1.1
119.04914	4.6
121.03962	1.3
121.06468	1.0
122.06025	0.9
122.09679	0.8
123.04385	1.8
124.03924	3.2
124.07542	0.9
127.00662	0.8
127.03916	4.9
128.02353	1.1
128.98575	3.7
129.10231	2.0
130.08624	11.9
131.00183	1.7
131.04890	0.8
134.99649	6.3
135.04405	1.7
136.07533	2.6
137.05925	3.8
139.03865	1.5
139.55667	0.7
140.05553	1.5
140.07040	2.8
141.05486	1.0
142.03239	1.3
143.00169	1.9
145.04944	3.1
146.99643	3.0
147.03154	2.6
147.04361	14.3
147.05441	0.5
149.01221	1.6
152.05602	1.2
155.04649	3.4
156.03316	5.1
158.06619	18.6
158.99622	5.9
159.06676	1.3
161.01234	3.1
162.99239	0.8
163.02736	3.1
163.03915	4.3
164.04099	1.3
164.05351	1.1
164.06990	2.9
164.10608	1.0
165.05473	8.1
167.06976	2.3
168.03365	1.7
170.03442	1.0
170.06630	2.4
170.99654	1.5
172.04538	1.8
173.04817	1.0
174.04381	7.6
174.11359	0.8
174.55206	1.4
176.07663	20.1
176.09094	1.6
177.00685	5.6
177.07942	2.1
182.03421	1.0
182.08185	5.4
182.11769	1.2
185.01186	1.3
185.06895	0.8
186.04381	13.8
186.99110	3.0
187.02841	1.0
187.04604	1.0
188.07655	12.2
189.00764	2.4
189.04288	1.4
189.07722	1.1
190.04932	1.2
191.02167	1.6
191.03775	1.3
192.05392	2.2
193.04332	1.2
201.00688	1.3
203.02150	1.4
204.05429	15.9
205.00177	2.1
205.05690	1.5
205.08594	2.7
206.09001	1.5
207.09946	0.9
207.45543	0.9
209.03316	1.0
209.05798	1.5
210.58101	1.1
215.05078	10.0
218.06224	10.6
218.56439	1.3
219.01741	5.1
219.07898	1.2
223.09660	0.9
224.09966	1.2
225.10796	5.8
227.06779	7.5
227.57004	1.8
228.05405	2.5
230.98045	1.4
233.06155	43.4
234.06215	1.8
235.04808	1.0
237.02644	6.7
238.12321	0.8
238.57526	1.5
239.12471	1.2
243.01776	1.0
243.11890	3.6
246.06453	3.2
251.12379	37.5
252.12491	2.3
253.58206	1.5
254.08588	1.2
254.58929	1.1
256.05173	1.1
256.07727	3.9
256.10391	1.7
258.06223	1.0
261.02716	0.9
263.08051	1.2
263.12369	18.6
264.08490	1.5
264.12488	1.7
269.13406	20.6
270.13617	2.0
276.07431	1.1
277.09665	1.0
279.11050	4.0
281.13428	100.0
282.13782	8.4
284.13565	1.0
285.06277	1.0
291.07486	1.7
299.13953	1.1
301.02255	1.4
304.15018	3.0
309.08539	3.9
310.08969	0.9
326.08932	1.1
328.11679	2.2
344.09250	1.0
344.13376	3.8
344.18658	3.3
344.62183	0.9
345.05035	1.0
345.09222	1.0
345.13889	1.2
345.20523	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	343.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.05500	16.2
57.07059	9.3
59.05006	2.3
67.05496	45.4
69.03405	3.3
69.07060	72.8
71.04964	5.0
79.05475	17.3
80.70569	1.8
81.07043	84.4
82.07387	2.0
82.66810	2.0
83.08617	12.7
85.06535	21.9
91.05465	14.4
93.07034	60.2
95.07989	4.8
95.08592	86.4
97.06514	3.2
97.10151	6.7
98.20655	6.2
105.07027	31.6
107.08581	69.7
108.08868	3.2
109.06519	4.1
109.10143	88.1
111.08047	6.0
111.11708	59.2
117.07015	3.3
119.08571	28.9
121.10119	53.5
123.11691	21.2
125.09589	8.2
127.11166	8.0
131.08540	9.6
133.10106	24.4
135.11688	39.9
137.09605	5.6
137.13226	8.0
139.11163	5.5
145.10114	22.1
147.11659	37.0
149.13239	100.0
150.13545	3.6
151.03871	4.1
153.12674	2.9
158.03549	2.1
159.11674	14.0
161.13216	16.0
163.14787	8.9
165.05475	3.0
171.11688	2.8
173.13252	11.8
175.14799	13.6
177.16360	27.8
185.13399	2.7
187.14801	10.5
189.16394	14.6
191.17903	7.8
193.15915	6.0
195.17409	82.1
199.14755	6.4
201.16412	10.7
203.17932	25.2
205.08586	5.4
205.19508	3.4
213.16455	2.7
215.17909	9.6
217.19487	8.1
221.11739	3.1
223.09608	3.0
229.19525	4.8
234.36777	2.2
243.21027	5.5
245.12059	2.6
245.22649	2.8
255.20923	3.8
257.22610	3.2
269.22528	4.7
287.16443	3.3
325.17905	3.6
325.25400	3.8
325.28894	33.0
343.11658	3.2
343.19070	14.8
343.22748	5.3
343.29938	53.6
344.30130	4.3
357.74490	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	343.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01861	1.6
55.05500	13.3
57.07075	4.1
57.17470	0.7
57.50242	0.7
62.10651	0.8
67.05494	27.3
67.85281	0.7
69.07059	24.9
70.21017	0.7
70.98145	1.4
70.98482	1.4
71.04972	1.3
79.05481	14.2
81.07044	50.7
82.07361	1.2
83.04969	1.2
83.08604	14.7
85.10182	0.8
88.06529	0.9
91.05460	18.0
93.07031	47.1
95.04934	3.0
95.08592	57.1
96.08927	1.1
97.06522	2.2
97.09560	1.0
97.10154	12.4
99.08070	1.3
105.07015	32.0
107.08575	22.2
109.06480	1.1
109.10142	42.8
111.08067	4.5
111.11677	2.9
117.07011	1.7
117.72797	0.7
119.07716	1.6
119.08567	34.2
121.10127	71.3
122.10460	1.5
123.08051	9.9
123.11692	21.5
125.09612	7.3
127.11217	1.2
131.08553	7.0
133.08623	1.1
133.10109	22.5
135.10725	0.6
135.11667	16.7
137.09583	13.7
137.13226	6.2
139.11183	0.9
141.09082	1.1
143.08554	1.3
144.09200	0.8
145.10106	11.6
147.11665	100.0
148.12000	2.2
149.13239	19.6
151.11150	8.2
151.14865	0.9
152.72426	0.9
157.09984	1.1
159.11676	9.1
161.13229	10.5
163.11159	1.1
163.14827	7.0
165.12727	16.8
165.16429	0.9
171.11707	2.0
173.13193	7.7
175.14775	5.1
177.12767	1.0
177.16371	7.5
179.14278	3.1
179.17957	3.5
185.13268	1.6
187.14774	5.7
189.16371	6.6
191.17889	2.3
193.15903	2.7
195.17387	5.9
199.14786	2.2
201.16356	3.2
203.17883	2.9
205.08563	1.5
205.15753	1.0
207.17403	4.0
213.16331	2.1
214.16628	0.8
215.17882	5.4
217.19467	3.3
219.17390	1.3
219.21082	1.4
229.19427	2.7
233.18982	1.4
235.20564	1.1
241.19507	2.9
243.21056	16.8
255.21111	1.4
261.22083	8.5
269.22543	2.5
287.23489	1.1
325.28857	66.7
326.29260	2.7
343.11600	1.4
343.19055	1.6
343.29913	46.8
344.30399	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05506	13.5
57.07063	7.1
57.63399	1.1
67.05493	21.0
69.03394	3.0
69.07059	30.0
69.60689	1.1
69.83350	1.1
71.04981	8.5
71.08624	2.6
71.10871	1.3
71.11205	2.2
79.05482	13.0
81.07045	50.4
83.04967	2.4
83.08610	12.8
85.06535	5.5
87.76301	0.9
91.05466	11.0
93.07032	54.8
95.04936	2.3
95.08594	61.7
96.08900	1.0
97.06517	4.8
97.10145	9.0
99.08062	3.6
103.05447	1.6
105.07021	25.5
107.08579	65.6
108.08914	1.4
109.06483	2.4
109.10139	42.2
111.08042	11.6
111.11687	4.3
113.09608	3.5
117.06997	1.9
119.08577	22.7
121.10126	55.8
122.10533	1.4
123.11679	25.0
125.09615	6.6
127.11171	7.8
128.11923	1.1
131.08557	6.9
133.10115	16.7
135.08081	1.1
135.11673	49.9
136.11995	1.6
137.09550	1.2
137.13231	9.1
139.11177	3.7
145.10123	13.2
147.11659	26.8
148.12091	1.3
149.13235	100.0
150.13547	4.2
151.03854	1.6
151.14795	3.5
153.05351	1.3
153.12741	5.0
157.10088	1.8
159.11670	7.6
161.13232	12.6
163.11122	1.4
163.14804	6.7
165.05435	3.6
167.14326	1.8
173.13182	6.5
175.07475	1.2
175.14827	12.8
177.09062	1.5
177.16357	26.9
177.17906	1.3
185.13313	2.4
187.14777	4.7
187.16347	1.1
189.16353	10.8
191.17929	8.4
193.15910	2.6
195.17421	17.9
196.17749	1.4
199.14754	2.0
201.16377	6.7
203.06987	1.5
203.17938	14.3
205.08560	4.6
209.19026	2.2
213.16266	1.4
215.17966	4.2
217.19482	2.4
221.11711	2.0
223.09570	4.3
229.19405	2.0
233.19051	1.3
241.19559	2.2
243.21028	1.6
255.21112	2.7
257.22583	3.5
259.24207	1.5
261.22495	1.9
269.22598	3.3
273.22488	1.2
273.25684	1.5
285.25775	7.9
287.16394	3.5
297.98398	1.0
325.17923	1.5
325.28833	19.5
343.11789	2.0
343.19135	6.8
343.22751	5.0
343.29910	52.6
344.19391	1.5
344.30176	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03937	2.6
55.01850	3.8
55.05499	11.0
56.21342	1.7
57.03416	3.5
57.07060	4.4
59.04986	3.0
64.89301	1.2
65.03909	2.2
67.05497	17.1
69.03414	8.2
69.07040	5.4
70.03206	3.2
70.03632	6.0
71.04987	14.3
79.05495	15.0
81.03397	2.6
81.07042	23.6
83.04965	3.2
83.08625	1.7
84.65880	1.5
85.06538	2.9
91.05463	20.2
93.06423	2.5
93.07030	50.9
93.08976	1.5
95.04387	2.9
95.04961	36.9
95.08595	53.9
96.08961	2.1
97.06529	12.1
98.20731	1.9
103.04005	1.5
105.06320	3.3
105.07018	53.4
107.04927	2.7
107.08583	35.3
109.06499	11.7
109.10113	3.9
112.17513	1.6
113.09632	2.0
115.05432	4.5
117.07001	17.3
119.08562	19.9
121.06493	10.9
121.10133	16.1
123.08044	15.4
123.11671	2.7
125.06001	1.8
128.06198	3.5
129.06932	4.6
130.07753	8.3
131.08554	7.7
133.06459	5.5
133.10117	13.1
135.08032	18.6
135.11664	13.0
137.05994	1.7
137.09560	3.7
140.43770	1.5
142.07750	1.7
143.08481	7.7
145.06474	1.7
145.10107	54.3
146.10442	3.0
147.08009	9.8
147.11665	5.1
149.09581	4.7
151.07529	33.5
153.09091	2.1
155.08563	2.1
157.10094	6.2
159.08049	3.5
159.11668	5.4
161.09583	7.8
161.13177	2.8
163.07565	2.2
163.11165	44.5
165.05478	2.9
165.09102	14.2
169.10170	2.7
171.07895	2.0
171.11670	4.3
173.09599	3.2
173.13231	2.8
175.11174	4.4
177.09105	5.1
179.06924	1.9
179.10596	1.8
181.10069	3.7
181.12135	2.5
185.13211	2.1
187.11143	3.6
187.14746	1.9
189.12735	7.6
191.10579	1.8
191.14342	2.7
193.10036	2.0
197.13223	2.8
199.11223	2.2
203.07037	1.6
203.14285	9.1
205.08612	5.5
207.11795	2.1
207.13747	4.0
209.13313	2.3
209.15305	3.7
215.14311	2.5
221.15344	25.7
223.09552	4.4
225.12819	1.8
233.15337	3.7
234.56418	1.5
240.23183	1.9
241.15816	2.8
243.13646	1.6
263.16434	5.2
263.95956	1.6
269.15256	2.4
286.19260	4.8
287.16327	5.3
287.19781	3.3
307.20389	2.7
325.18027	2.9
325.21429	9.6
343.18939	12.4
343.22623	100.0
344.19189	2.1
344.23047	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	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03922	3.5
55.01849	6.2
55.05513	12.2
57.03418	5.4
57.07053	7.3
59.04977	2.5
67.05494	19.6
69.03423	9.6
69.07045	6.3
71.04982	19.0
71.24234	4.2
79.05484	17.8
81.03376	1.8
81.07042	27.1
83.04946	5.0
83.08598	3.8
85.06516	5.2
87.04462	1.9
91.05471	26.0
91.10503	1.5
93.02726	1.5
93.07030	55.0
95.04391	2.7
95.04953	47.2
95.08591	65.0
97.06521	17.5
103.05445	3.2
105.07016	62.8
107.04955	2.8
107.08575	38.0
108.08894	1.8
109.06506	11.4
109.10139	5.3
111.08057	3.0
115.05433	4.9
117.06997	25.1
119.08566	25.6
121.06496	15.6
121.10123	16.0
122.07280	2.0
123.08041	23.4
123.11726	2.0
125.09636	2.4
128.06181	3.8
129.06961	4.4
130.07756	15.6
131.08536	9.4
133.06476	5.5
133.10117	17.9
135.08034	21.0
135.11687	11.0
137.05946	3.1
137.09581	5.9
142.07742	2.9
143.08557	11.3
145.10104	70.4
146.10446	2.5
147.08047	10.9
147.11687	7.7
149.09612	8.3
151.03859	4.9
151.07510	40.0
153.09090	2.6
155.08501	5.0
155.10580	1.9
156.09222	3.0
157.10078	9.0
159.08083	3.8
159.11700	9.6
161.09604	7.2
161.13179	3.3
163.07484	2.2
163.11159	51.2
164.11456	2.3
165.09096	15.7
169.10100	4.4
171.11685	6.8
173.09557	3.5
173.13206	3.7
175.11130	4.8
177.09090	6.1
179.07014	4.2
181.10092	2.6
181.12077	2.5
182.10620	1.5
183.11685	2.7
185.09666	2.4
185.13235	3.2
187.11113	6.4
187.14809	4.0
189.12689	8.9
191.14272	3.8
193.10298	1.9
195.11671	2.5
197.13272	4.6
199.11255	2.0
199.14813	2.1
203.14365	6.0
205.08578	3.1
207.10176	2.6
207.13800	5.7
209.13318	3.3
209.15349	4.9
209.36235	1.6
215.14357	2.7
221.15309	27.0
222.15782	2.8
223.09570	2.7
223.14830	2.7
233.15266	4.4
241.15921	2.2
247.16899	2.5
251.16458	2.8
263.16440	5.6
269.15347	5.1
286.19223	4.8
287.16522	2.8
287.19818	2.0
307.20404	2.9
325.21725	10.5
343.19257	4.3
343.22653	100.0
344.22943	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.62786	0.8
51.02360	1.3
53.03922	3.6
55.01862	5.7
55.05500	14.6
57.03426	7.2
57.07072	6.3
57.51140	0.8
59.04985	5.5
65.03912	2.3
67.05490	23.8
69.03415	6.7
69.07059	6.7
69.83063	0.9
71.04980	15.8
71.79598	1.3
77.03913	1.0
79.05475	20.1
81.03388	3.3
81.07036	25.1
83.04960	7.2
83.08592	4.4
85.02887	1.5
85.06532	4.4
91.04906	1.6
91.05462	29.1
93.07024	55.3
94.07310	1.1
95.04948	46.3
95.08585	66.4
97.02811	1.1
97.05926	1.4
97.06509	14.4
103.05433	2.7
105.07006	68.8
105.85995	0.8
107.04912	4.0
107.08572	50.4
108.05692	1.0
109.06493	14.6
109.10140	6.6
111.04465	1.1
111.08057	2.6
113.09612	1.4
115.05442	6.2
117.06996	24.7
119.08553	27.6
121.06479	13.4
121.10120	16.8
121.20584	0.9
122.07267	1.1
123.08049	23.1
123.11715	1.3
125.05949	2.8
125.09599	2.3
125.10449	1.0
128.06177	3.5
129.06938	6.2
130.07756	13.4
131.08551	11.6
131.56734	1.0
133.06470	5.2
133.10103	16.3
135.08020	22.9
135.11662	13.0
137.05942	2.3
137.09584	5.6
141.06946	2.0
142.07793	4.7
143.08557	12.0
144.09274	1.7
145.06424	2.4
145.10097	69.4
146.10451	2.1
147.08018	12.0
147.11659	6.5
149.06059	1.0
149.09631	4.4
149.13281	1.2
151.03867	3.8
151.07512	38.1
151.11119	1.6
152.07837	1.2
153.09068	3.8
154.07770	1.0
155.08504	3.2
155.10655	2.2
156.09300	3.1
157.10098	12.9
158.10818	1.0
159.08008	4.1
159.11670	8.2
161.09593	7.4
161.13220	4.4
163.07515	1.8
163.11145	51.8
164.11514	1.6
165.07054	1.3
165.09103	12.5
167.08476	1.9
169.10062	5.4
170.10837	1.4
171.07915	1.1
171.11639	7.6
173.09613	5.4
173.13217	4.2
174.10298	0.9
175.07381	1.4
175.11185	5.9
175.14752	1.2
177.09082	5.7
179.06975	3.5
179.08484	1.7
179.79597	0.8
181.10063	2.3
181.12233	4.0
182.10912	1.5
183.11693	4.7
185.09573	2.1
185.13223	3.6
187.11150	6.8
187.14725	1.8
189.09074	2.3
189.12694	9.2
191.10654	2.6
191.14285	2.7
193.10173	1.7
195.11626	2.6
197.11626	2.0
197.13254	3.0
199.11224	1.1
199.14778	2.2
200.11980	1.5
201.12674	2.1
203.14270	8.1
205.08528	2.2
205.15874	1.1
207.10109	2.2
207.11868	1.9
207.13661	5.3
208.12367	1.9
209.13458	1.7
209.15338	4.5
211.11211	1.1
211.14719	2.7
213.12706	1.8
213.16277	1.9
215.14299	3.4
217.12189	2.4
219.13803	1.0
221.13361	1.1
221.15297	30.3
222.15678	1.7
223.09561	1.8
223.14780	2.7
225.12727	2.3
225.16405	2.3
227.14224	1.7
231.17427	1.1
233.13200	1.3
233.15324	3.0
237.14687	1.4
239.17950	1.0
240.23149	1.6
241.15862	1.8
243.13800	1.6
245.15308	1.1
247.16862	1.5
255.17520	1.3
259.16873	1.4
263.16284	5.5
269.15341	2.5
274.19287	1.9
286.19214	3.6
287.16525	2.0
287.19907	2.7
299.19913	1.4
299.36475	0.9
307.20547	1.7
325.21490	11.0
343.19156	3.9
343.22610	100.0
344.19437	1.3
344.23010	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.98029	1.5
53.03939	3.4
55.01870	4.6
55.05506	11.2
57.03423	5.9
57.07063	5.6
59.04990	4.9
63.82861	1.5
65.03931	2.1
67.05500	26.0
69.03416	6.8
69.07053	14.9
71.04990	12.3
71.79535	1.5
71.79936	2.2
79.05483	19.8
81.03395	2.7
81.07043	25.2
83.01340	3.7
83.04955	3.3
83.08611	4.7
85.06545	3.5
91.05466	26.5
91.16345	1.7
92.05839	2.2
93.07034	51.0
95.04956	40.0
95.07990	3.5
95.08591	61.4
95.09196	3.7
95.22251	1.9
97.06514	11.0
97.10152	2.6
103.05468	2.7
105.07015	63.4
107.04926	4.5
107.08575	53.2
109.06499	12.7
109.10153	10.0
111.08041	1.6
113.05981	3.3
115.05441	3.8
117.07008	19.2
119.08564	24.6
121.06489	13.6
121.10126	20.7
123.08043	15.8
123.11685	11.1
129.06981	4.1
130.07790	8.7
131.08554	15.8
133.06418	3.5
133.10110	22.4
133.24889	1.7
135.08044	18.6
135.11664	16.2
137.05978	6.2
137.09610	5.0
141.06981	2.2
143.08562	8.0
145.06461	2.4
145.10109	52.3
147.08038	10.5
147.11664	7.6
149.05989	2.8
149.09613	7.9
149.13185	1.9
151.03896	14.5
151.07530	24.8
152.04332	1.9
153.05409	7.9
156.09381	2.0
157.10110	7.2
159.08049	5.8
159.11699	6.8
161.05965	4.1
161.09637	8.5
161.13255	3.8
162.06755	2.1
163.07521	7.4
163.11163	35.2
165.05472	22.8
165.06816	2.5
165.09068	11.7
167.07065	2.1
169.10114	4.0
171.07964	1.8
171.11647	4.3
173.09674	4.3
173.13271	5.7
175.07610	3.1
175.11208	5.1
175.14854	3.4
175.35115	1.6
177.05547	3.0
177.09070	7.1
179.07024	6.0
179.10519	1.9
181.10162	1.6
181.12209	2.1
183.11708	2.4
185.13260	6.2
187.11118	4.2
187.14839	3.4
189.05457	3.3
189.12747	4.7
191.07053	3.1
191.10733	2.4
191.14331	3.4
193.08575	2.0
195.11667	2.8
197.13274	3.1
201.16454	2.5
203.06975	12.8
203.10620	2.0
203.14290	4.6
205.08591	33.3
207.10165	2.6
207.13808	4.5
209.15402	2.3
211.14731	2.0
215.18071	2.2
217.08551	1.9
217.12260	2.8
219.10152	3.7
221.08142	5.9
221.11726	12.9
221.15295	18.3
223.09622	31.7
223.14778	1.6
225.16426	1.8
227.14264	2.4
231.10147	4.7
233.15381	3.1
240.23216	2.9
245.15521	2.1
249.11162	4.0
259.13190	2.9
263.16431	5.3
269.11850	3.9
269.15271	2.4
282.27786	2.8
283.13336	3.4
283.20596	2.8
287.16415	19.3
287.19788	3.0
297.22171	2.1
301.14346	3.8
307.17001	3.0
325.17932	13.4
325.21655	5.6
325.25055	2.7
343.12537	2.6
343.18924	69.7
343.22699	100.0
343.26343	23.8
344.19202	9.0
344.23062	8.0
344.26645	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	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.40069	0.5
54.28448	0.5
54.39315	0.4
55.01857	1.7
55.05493	1.4
57.03428	3.3
57.07056	1.4
58.06349	0.6
58.06595	6.1
59.04990	0.7
61.02918	3.9
67.05482	1.5
69.03089	0.8
69.03425	11.3
69.07050	2.2
70.00418	3.4
70.06555	0.8
71.01336	0.5
71.04973	2.1
72.08147	0.5
73.02894	1.9
74.17283	0.6
79.05490	3.0
81.03423	3.9
81.07052	8.5
83.04972	6.3
84.08139	0.5
84.14294	0.5
85.02897	28.7
85.06509	0.6
86.09691	1.0
87.04453	1.2
91.03910	1.4
91.05486	4.7
93.07029	9.5
95.04960	17.1
95.08585	1.2
97.02884	9.5
97.06513	3.1
98.21564	0.5
99.04432	2.2
103.05444	0.7
105.07015	7.3
107.04938	1.2
107.08579	9.6
109.02872	3.5
109.06502	2.7
115.05427	0.6
117.07001	2.4
119.08567	3.8
121.06495	4.2
121.10128	11.6
123.08076	1.1
125.05981	11.5
127.03905	7.1
127.04760	0.9
130.07797	3.2
133.02869	0.7
133.06467	1.5
133.10117	2.0
135.04370	0.6
135.08032	1.3
135.11703	6.6
137.05963	4.7
137.09593	0.7
143.04906	0.9
143.08569	1.2
145.02872	0.7
145.04927	8.0
145.10115	18.7
147.08028	1.3
149.05910	0.8
151.07466	0.8
161.09576	1.3
163.03912	4.7
163.11168	100.0
164.11475	2.7
165.05392	0.7
165.09093	1.9
167.06978	0.8
175.03935	0.7
175.07466	1.1
175.11224	1.0
181.04976	2.3
181.08641	0.7
181.12215	16.7
183.10146	1.2
187.11208	0.7
199.11264	0.6
201.05539	0.6
205.08557	0.9
205.12265	1.6
223.09666	1.0
223.13289	1.9
266.09149	0.5
289.14273	0.9
299.12866	0.7
307.15237	0.8
325.16565	0.7
340.48221	0.6
343.11411	0.7
343.17474	3.6
344.18500	6.2
351.78690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96302	0.4
57.03425	0.5
57.22713	0.4
58.28125	0.4
60.48835	0.4
60.60604	0.5
62.13449	0.4
66.11874	0.4
69.03391	1.5
70.06577	2.3
70.57008	1.0
70.57409	1.0
72.08150	0.9
79.05473	1.0
81.03410	2.6
83.06078	0.9
84.08116	0.5
85.02879	3.6
86.09687	1.8
89.03910	4.8
91.05466	0.7
93.86841	0.5
95.04946	0.6
97.02865	0.8
97.74287	0.4
98.06161	0.4
99.04430	0.5
103.05415	0.5
105.07005	2.2
107.04922	1.9
107.08577	0.5
108.16184	0.4
108.43609	0.4
109.02846	1.6
111.05560	0.9
116.07049	1.3
117.03360	6.2
119.04935	1.3
119.08534	0.6
127.03891	1.2
130.06473	0.5
133.02797	0.8
133.06470	4.1
135.04395	15.7
137.05960	4.2
137.62474	0.5
139.05045	0.7
145.02820	11.8
145.04884	0.6
147.04372	3.8
149.05920	0.6
153.05423	0.4
163.03876	100.0
163.11133	0.8
164.04219	3.5
165.05461	2.9
165.09052	2.3
181.04930	5.2
196.11609	0.8
200.13953	1.0
211.10710	0.7
211.66788	0.4
246.72899	0.4
293.00250	0.5
307.08041	2.9
315.14417	1.1
319.57462	0.6
325.09317	1.9
343.17514	1.4
352.28275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
53.03925	1.3
55.01860	3.4
55.05480	0.8
56.96567	0.7
57.03407	1.5
59.04980	1.1
64.09200	0.6
65.03905	1.2
69.03411	3.6
69.07018	0.8
70.06243	0.6
70.06578	5.0
71.04951	0.8
71.14220	1.0
71.14540	0.9
72.08111	1.6
73.02880	1.8
79.05069	0.7
79.05479	7.5
81.03407	4.0
81.07028	0.7
84.04468	0.7
84.08112	2.2
85.02887	5.0
86.09671	2.4
89.01260	0.6
89.03906	1.5
91.05457	2.5
94.04171	1.6
95.04917	2.2
95.73278	0.6
97.02859	2.2
97.06455	0.8
99.04412	0.9
103.05441	4.7
105.07015	61.1
106.07333	2.3
107.04945	1.4
107.08559	1.1
109.02843	2.1
109.06493	1.6
111.04382	0.8
115.03890	1.7
115.05426	0.8
116.07062	1.6
117.03363	1.1
119.04900	1.5
122.03622	4.7
123.04423	0.9
124.05214	1.4
125.06013	0.9
127.03843	1.0
129.10204	1.0
131.04924	1.7
133.04877	2.7
133.06468	100.0
134.05882	0.6
134.06807	4.4
135.04433	4.1
136.07487	0.8
137.05957	85.8
138.06299	1.7
145.02835	2.5
145.04996	0.9
147.04378	13.1
151.03899	1.0
151.07516	2.2
157.06392	0.6
161.05959	0.8
162.55298	0.6
163.03883	25.3
163.07498	1.0
164.01649	0.8
164.04198	2.0
165.05492	6.3
165.09091	56.2
165.11345	1.4
166.09451	2.4
167.06941	0.9
181.04930	6.0
181.06383	0.9
182.08125	0.8
189.05441	0.6
205.08650	1.8
219.06520	0.8
223.09677	1.4
225.07057	0.7
228.13544	0.9
239.07198	0.7
247.10284	0.6
278.50742	0.6
303.05237	0.6
325.09253	0.9
325.18036	1.0
343.15839	1.3
343.19241	3.7
363.67542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.102
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.93331	0.5
55.01848	0.6
57.30284	0.5
57.52631	0.5
69.03423	1.4
70.06580	1.7
71.00660	1.0
79.05486	1.9
81.03423	3.2
84.08120	0.9
85.02895	2.6
86.09688	2.2
89.03913	4.8
93.07054	0.8
93.07648	0.5
95.04953	1.4
97.02886	1.0
105.07029	0.9
107.04957	1.5
109.02880	1.2
116.07050	0.8
117.02808	0.5
117.03392	5.3
119.04939	0.7
123.04366	1.0
126.80894	0.5
127.03889	0.9
129.10187	0.7
133.02800	0.6
133.06490	0.6
135.04413	15.7
137.05942	1.3
145.02843	10.8
145.03946	1.2
147.04372	1.6
155.57187	0.5
163.03891	100.0
163.11174	1.1
164.04254	3.0
165.05449	1.4
181.04939	4.6
181.12199	0.7
200.13904	1.7
205.08704	1.2
206.36415	0.6
223.09494	0.9
276.90503	0.6
307.07986	3.2
325.09283	2.2
343.19012	3.9
343.22559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.6
70.06576	0.9
70.15982	0.5
70.16386	1.8
79.05467	0.9
81.03391	1.7
82.20895	0.4
85.02882	1.7
86.09666	0.7
89.03908	5.3
90.30031	0.4
91.05450	0.7
95.04967	0.8
97.02841	0.5
98.21394	0.6
99.89851	0.4
105.07020	0.6
107.04927	1.5
109.02850	1.1
117.03364	6.7
133.02806	0.5
133.06505	0.5
135.04393	15.4
137.05933	0.7
137.47728	0.4
145.02829	10.9
147.04367	1.1
163.03880	100.0
164.04298	2.1
165.05418	0.6
181.04921	3.4
197.61813	0.4
205.08771	0.4
223.09344	0.5
307.08011	3.2
325.09186	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.0
55.01865	7.1
55.05503	32.4
56.05016	3.6
57.03428	12.6
57.07069	7.9
58.06605	4.0
65.83090	3.5
67.05495	73.2
69.03419	11.5
69.07059	55.0
69.67658	31.7
71.04993	6.6
71.08611	4.5
72.61655	3.8
79.05486	60.8
81.03422	9.5
81.07046	100.0
83.04977	18.2
83.08596	19.7
85.02895	8.2
85.06534	5.4
91.05460	38.5
93.07034	63.9
94.02258	3.8
95.04955	14.9
95.08595	55.9
97.06527	17.6
97.10181	10.6
99.08085	6.1
102.75386	3.8
105.03376	15.2
105.07012	51.8
106.03700	6.5
107.04963	10.5
107.08588	52.0
108.08939	4.1
109.06503	11.0
109.10146	24.0
111.08038	5.9
117.07014	15.5
119.08569	41.6
120.08928	4.4
121.06487	8.4
121.10104	31.3
123.08080	11.3
123.11690	8.4
125.09621	10.3
125.76587	4.0
129.06963	8.5
131.08528	24.8
133.10115	35.7
135.08058	10.6
135.11685	37.4
137.09630	11.8
143.08505	9.4
145.10147	25.9
147.11658	28.0
148.11983	5.4
149.09624	9.8
149.13220	24.0
151.03877	8.4
155.08504	3.9
157.10074	5.9
159.11687	23.1
160.12082	7.3
161.13240	8.9
163.11212	16.4
171.11664	7.3
172.11900	4.5
173.13290	13.1
174.18559	5.5
177.12773	11.5
181.12192	30.5
187.14757	5.4
193.12207	6.2
195.13840	25.6
199.13193	5.2
205.08617	10.5
213.14804	20.9
223.09657	3.8
235.17064	5.6
257.18948	6.8
275.20032	45.0
289.21561	12.5
296.24426	10.6
307.22632	6.4
342.17383	7.7
342.21396	7.4
342.25095	32.4
342.33472	7.6
342.37283	20.1
343.19019	13.5
343.22729	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56666	0.4
56.96474	1.9
64.13817	0.4
66.21879	0.4
71.60717	0.7
71.78751	0.4
81.03253	0.5
98.97565	10.5
107.08440	0.6
116.98611	8.7
117.98824	0.6
119.01815	1.0
133.09967	0.5
134.99632	6.2
135.99922	0.7
145.68785	0.4
153.00604	1.2
157.01369	0.5
174.97498	1.5
176.97342	0.6
177.00946	3.8
177.09007	0.5
178.00966	1.0
179.00647	0.6
192.98747	2.3
194.98363	0.9
198.97589	0.7
201.00887	0.5
205.08501	1.8
216.98747	5.1
217.98785	1.0
218.69699	0.5
218.98376	1.8
219.01978	8.3
220.01990	2.0
221.01767	0.8
222.97823	1.1
223.09560	1.7
234.96272	1.3
234.99857	13.8
236.00009	2.3
236.99496	4.2
240.98834	2.5
243.02086	0.8
252.97441	1.7
253.00963	3.0
258.01331	0.7
258.96902	1.4
258.99911	28.7
259.99930	5.4
260.04663	0.5
260.99478	2.0
261.02963	8.6
262.03000	1.4
263.02704	0.6
264.98685	3.1
265.98996	0.6
270.99628	1.2
274.97592	0.8
276.97546	4.5
277.00949	29.7
277.97824	0.5
278.00983	10.2
278.96817	1.1
279.00708	2.5
282.01477	0.8
282.99942	58.7
284.00070	9.7
294.98407	0.9
297.06458	0.7
300.02609	1.0
300.97638	7.0
301.00980	100.0
301.98053	1.0
302.01135	17.3
303.01010	1.4
308.00653	0.6
318.98541	13.3
319.02112	5.6
319.98544	1.2
320.02310	1.2
324.02655	3.8
325.00833	10.5
325.18195	0.7
326.01096	2.3
336.99411	0.5
342.00177	1.0
342.98767	2.3
343.02081	60.1
343.19070	3.7
343.98270	0.9
344.02231	10.9
355.98141	0.5
360.99530	6.7
361.03186	15.0
361.99396	0.8
362.03342	2.8
366.03497	3.0
367.04056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.1
55.05501	30.5
56.05047	3.9
57.03408	7.5
57.07062	7.5
67.05495	84.7
69.03418	8.9
69.07055	70.4
71.04963	6.5
71.08614	3.5
71.27966	8.0
71.28353	6.4
78.37912	3.2
79.05486	55.0
81.03393	12.5
81.07043	100.0
83.04962	13.2
83.08611	21.6
85.06544	8.9
87.16811	3.6
90.23356	3.4
91.05476	47.7
93.07031	60.6
95.04974	30.2
95.08598	54.7
97.06517	23.5
97.10170	7.8
98.09704	5.1
99.08062	4.6
101.02377	3.3
105.07019	51.7
107.04916	5.7
107.08571	43.8
108.08906	4.1
109.06510	14.0
109.10130	23.9
111.08062	10.1
117.06992	12.6
119.08564	44.6
121.06489	7.9
121.10133	37.3
123.08047	11.3
123.11684	11.5
129.06999	5.1
131.08545	28.6
133.10124	42.7
135.08052	8.3
135.11684	40.7
137.09561	16.3
141.06847	3.6
143.08560	5.2
145.10107	24.2
147.11679	31.9
149.09593	9.4
149.13239	17.7
151.03902	8.8
151.11124	5.8
157.10133	11.0
159.11632	20.9
161.13269	9.9
163.11205	17.2
165.12662	3.5
169.10117	8.0
171.11693	6.8
173.13231	14.3
174.13522	3.4
175.11119	3.6
177.12703	10.4
181.12170	32.5
183.11658	4.8
189.16435	5.1
193.12218	6.3
195.13745	16.7
199.13292	5.0
207.13644	4.6
209.73080	3.4
213.14842	11.2
223.09375	4.1
229.19547	6.3
230.24857	6.9
239.17905	7.1
240.54526	3.7
247.20557	6.5
257.18979	14.1
263.19965	3.7
275.20044	64.1
289.21576	14.9
307.22610	13.9
342.25046	6.8
342.33530	6.0
342.37369	8.6
343.19043	9.0
343.22665	4.9
352.33948	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	342.1695
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.06593	60.8
64.18549	0.5
70.06586	0.4
70.75422	1.1
70.75805	0.9
85.02863	0.5
86.09768	0.5
89.29185	0.4
89.90170	0.5
95.04992	0.6
116.07096	0.6
119.62639	0.5
163.11156	1.3
165.06984	0.5
166.07773	1.1
176.84674	0.4
178.07738	0.7
179.08542	1.3
181.06390	0.6
181.10123	1.1
187.07599	0.4
189.07104	0.8
190.07787	0.8
191.08525	5.6
192.08862	0.6
194.07271	2.0
205.06473	2.6
207.08017	3.2
208.08813	1.0
209.09570	2.8
217.06305	0.6
219.08022	4.9
221.05946	0.8
222.06706	6.0
223.07396	1.5
225.09056	0.5
233.05968	1.8
235.07538	2.0
236.08340	2.2
237.09102	8.1
239.06947	1.1
247.07576	2.0
250.06207	1.1
251.07068	0.6
253.08670	0.5
255.10034	0.6
264.07687	0.8
265.08569	30.2
266.08972	2.3
267.06503	1.9
267.10074	0.6
269.11765	0.6
279.10165	1.4
282.08832	11.8
284.10367	1.9
297.11169	37.4
298.11536	1.8
299.12708	3.8
311.12677	1.1
342.16959	100.0
343.17294	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	342.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05508	6.9
57.03418	1.3
57.07068	11.2
58.06592	5.4
59.46348	0.4
61.02906	2.0
69.03416	3.2
70.06593	5.4
71.12281	1.1
72.08138	0.8
75.57585	0.4
79.03010	0.5
79.05502	0.6
81.03389	1.5
81.07009	0.5
83.08594	3.1
84.84789	0.5
85.02898	14.5
86.06022	0.5
86.09690	1.1
87.04468	0.5
89.06023	30.4
90.06354	0.5
91.03949	0.9
93.07029	0.5
97.02894	3.9
101.09644	13.4
107.07059	31.3
107.08563	1.0
108.07442	0.5
109.02857	1.7
110.52280	0.5
122.06036	0.5
127.03914	2.7
130.08553	0.6
131.04953	0.6
131.08575	0.7
137.05978	1.5
139.75560	0.5
145.04915	2.0
145.12219	0.9
149.30531	0.5
151.07544	0.5
163.03807	0.5
163.13280	100.0
164.13620	3.2
181.05043	0.8
183.14941	1.8
191.08434	0.6
207.08284	0.5
211.14378	1.1
218.37273	0.5
229.15518	0.6
235.07948	0.5
237.09113	0.9
265.08652	3.1
267.06564	1.0
282.08762	1.2
297.11069	3.3
299.12741	0.6
300.92645	0.5
310.20300	0.6
324.21545	0.6
325.10867	0.8
342.16959	8.7
342.20721	0.9
343.17035	0.9
347.44846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3199
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03942	2.7
55.05502	11.9
57.03434	5.4
57.07069	29.4
60.20756	2.0
67.05498	24.7
68.05827	1.9
69.07059	33.8
71.08626	19.8
71.79979	2.7
73.47556	1.6
79.05479	10.1
81.07043	100.0
82.07401	2.4
83.08617	19.2
85.06537	1.7
85.10183	9.4
91.05487	6.6
93.07034	26.7
93.07579	2.9
95.08591	73.8
97.10149	11.5
105.07009	22.8
107.08588	32.9
109.10142	44.4
109.10849	2.4
111.11726	7.3
117.07048	2.5
119.08579	22.9
119.09383	2.0
121.10126	35.4
121.10938	2.8
123.11687	29.0
123.12486	2.3
131.08578	4.1
133.10103	20.4
135.11673	18.9
137.13229	18.0
145.10149	7.2
147.11705	16.9
149.13252	18.9
151.07539	4.6
159.11719	11.1
161.13243	18.2
163.14816	14.1
173.13326	8.0
175.14856	10.4
177.16403	10.6
187.14856	2.2
189.16338	14.1
191.17880	11.3
201.16505	2.8
203.17906	14.8
205.19518	3.9
215.18120	3.5
217.19493	21.0
219.21140	3.6
229.19365	3.6
231.21048	8.6
243.21159	3.9
245.22723	4.5
257.22729	3.0
271.24274	3.4
285.25650	4.2
316.29947	1.8
341.21445	4.0
341.31543	83.0
341.39685	3.1
342.31674	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	341.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.05502	47.3
57.03429	2.3
57.06794	2.2
57.07069	46.1
67.05497	21.2
69.07057	100.0
70.73973	1.7
71.04994	3.1
71.08620	43.5
71.80688	2.9
72.21885	1.9
79.05474	10.2
81.07044	56.8
83.04961	3.9
83.08107	3.6
83.08606	68.9
85.06530	11.6
85.10159	18.8
87.65955	2.1
88.66176	1.6
91.05466	9.0
93.07032	15.2
95.04971	2.2
95.08595	45.5
97.06497	11.9
97.10155	50.5
99.08080	3.1
99.11711	5.1
101.05972	2.3
105.07011	15.4
107.08576	24.3
109.06548	4.6
109.10142	33.2
111.08093	9.8
111.11704	27.9
113.09551	3.1
113.22502	1.8
115.07575	12.4
119.08547	17.3
121.10136	14.5
123.08048	6.5
123.11688	17.3
125.09592	7.2
125.13239	12.9
127.07545	4.7
129.09073	4.3
131.08539	2.8
133.10121	16.8
135.11653	14.6
137.05978	1.9
137.09601	7.1
137.13232	8.3
139.11168	6.5
139.14769	5.1
141.09076	4.5
143.08679	2.2
143.10658	4.1
145.10074	3.2
147.11661	15.1
149.13232	7.6
151.11148	8.1
151.14810	3.9
153.12706	4.7
153.16417	2.0
155.10638	4.8
157.12207	3.8
161.09624	2.4
161.13257	16.2
163.14690	4.2
165.12772	15.3
167.14310	4.6
169.10051	2.3
169.12219	6.1
171.13770	4.8
173.13226	2.5
175.14816	8.3
177.16331	3.8
179.14276	16.0
183.13794	8.9
185.15379	4.6
189.16379	4.0
191.17905	3.7
193.15869	9.3
197.15358	7.5
199.16985	2.6
203.17996	2.4
205.19492	3.2
207.17447	4.8
213.18497	2.2
217.19501	4.4
223.20717	2.8
231.21066	2.7
235.20454	2.9
241.21635	2.8
249.22067	4.2
263.27274	6.9
285.14743	2.1
287.27328	8.4
305.28317	14.6
323.29932	2.5
341.17181	3.8
341.21045	4.1
341.30731	3.8
342.17212	3.4
342.37286	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	341.3046
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
55.05511	5.7
57.03429	12.6
57.07069	37.6
64.94193	0.9
67.05498	8.7
69.07068	8.3
69.56287	6.8
71.08240	1.4
71.08621	26.9
81.07038	12.6
81.68411	0.8
83.08605	7.8
85.10171	12.9
89.05984	2.0
93.07024	1.4
94.11943	0.8
95.08598	15.0
95.55410	0.8
97.10163	7.0
99.11726	1.1
99.95507	0.7
102.09067	0.8
103.07557	0.8
105.06987	0.9
109.10146	7.1
111.11702	2.9
117.09128	1.4
117.37462	0.8
119.08533	0.9
123.11692	3.3
137.13261	1.2
147.11618	0.9
267.26868	1.5
285.27896	3.2
285.95187	0.7
341.30475	100.0
342.17175	0.9
342.30826	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15673	0.2
51.66719	0.1
67.05479	0.2
68.05015	0.8
70.62888	0.4
70.63310	0.4
79.05485	0.3
81.05782	0.7
82.06577	0.4
83.04965	0.6
84.08147	0.6
94.06541	1.0
96.08115	28.1
97.08418	0.7
98.09680	0.3
114.09149	100.0
115.08838	0.1
115.09502	2.5
116.10699	0.8
124.07592	0.4
124.26014	0.2
140.05569	0.2
142.08673	1.0
142.09605	0.2
142.55740	0.1
154.07133	0.9
156.08714	0.2
160.09686	1.4
172.08176	3.9
173.08374	0.3
174.09776	0.2
180.49803	0.2
182.06558	1.3
182.07892	2.8
183.06680	0.2
186.26810	0.2
193.02327	0.2
200.07652	7.2
201.07828	0.6
218.08728	2.9
219.08951	0.3
223.09106	0.2
242.08655	0.4
247.78148	0.2
249.14557	0.8
267.11740	0.5
267.15616	0.6
277.13934	0.5
283.14993	0.2
295.14984	28.8
296.15198	3.5
313.15790	0.2
323.14465	13.5
324.14709	1.5
341.15527	49.3
342.15753	6.1
364.17105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05502	17.2
55.09983	1.8
56.29339	2.0
57.07067	12.8
57.60625	1.9
59.04971	3.6
65.03866	1.9
67.05499	23.5
69.07059	21.7
69.64138	4.5
69.64565	10.8
71.04992	20.2
71.08606	4.4
78.42666	1.8
79.05477	18.6
81.07046	91.9
82.07360	3.3
83.08618	11.6
84.08813	1.8
85.06527	6.1
85.10177	3.1
91.05467	17.3
93.07030	72.1
94.07320	2.0
95.04938	6.1
95.07996	4.1
95.08592	74.6
97.06512	3.7
97.10146	9.3
105.06313	3.4
105.07009	45.4
107.08578	66.7
109.06497	16.5
109.10146	38.9
111.08081	15.1
111.11675	4.9
113.09624	3.0
117.06963	5.7
119.08564	100.0
121.10124	61.7
122.10410	3.6
123.11689	21.1
125.09617	2.3
127.83862	1.9
131.08557	18.4
133.10110	29.1
133.44592	1.8
135.07964	2.3
135.10716	3.4
135.11658	32.8
137.09579	7.5
137.13228	5.8
142.07825	2.6
143.08513	6.0
143.23322	1.8
145.10104	26.4
147.11679	21.7
149.09538	4.0
149.13237	46.8
150.13597	3.2
151.11147	5.8
151.14760	2.7
156.09459	2.0
157.10129	13.6
159.10367	2.1
159.11679	41.5
160.11928	2.1
161.12016	3.3
161.13242	31.7
163.11133	3.6
163.13480	2.7
163.14790	34.9
169.10124	2.5
171.11679	10.3
173.11835	2.5
173.13237	29.5
175.14813	13.8
177.12692	3.8
177.16290	5.2
179.14322	5.6
183.11673	2.9
185.13187	7.0
187.14810	25.7
188.15100	2.6
189.16350	17.9
191.14166	2.5
191.17924	30.8
192.18152	3.4
197.13225	5.1
199.14766	7.0
201.16341	14.0
203.17899	6.3
211.14774	5.6
213.16364	14.1
215.17932	14.4
217.19492	4.3
225.16394	3.7
227.17883	14.0
229.19479	7.9
231.17393	2.9
239.17973	3.2
241.19475	4.6
243.20975	3.7
253.19405	3.8
255.21048	2.7
257.22595	11.6
267.20978	8.5
271.24100	5.5
281.22501	6.3
283.24136	51.4
284.24506	6.7
285.22141	2.3
323.23474	2.5
323.27286	48.6
324.27475	8.6
341.28265	80.7
342.16873	2.0
342.28543	10.1
342.37231	6.2
355.44528	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	341.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.2
55.05499	0.1
56.30365	0.1
56.96558	0.8
57.03431	0.8
57.50082	0.1
60.95833	0.2
61.02921	2.0
67.48544	0.1
68.03439	0.1
68.05010	0.5
69.03417	0.8
69.98385	0.7
69.98792	0.3
70.06576	0.5
70.98141	0.2
71.04969	0.2
72.08138	0.3
73.02911	0.6
77.89924	0.1
79.05484	0.7
80.04983	0.2
81.03388	0.2
81.05803	0.8
82.06572	0.3
83.04977	0.7
84.04449	0.2
84.08122	0.9
85.02895	2.2
87.04440	0.1
88.26456	0.1
88.99145	0.1
92.01308	0.1
94.06541	1.1
94.83039	0.2
96.01534	0.2
96.08119	28.4
97.02876	0.9
97.08463	0.8
98.01281	0.1
98.09695	0.5
98.21393	0.3
98.97568	1.3
99.04465	0.1
101.00858	0.2
102.96831	0.3
104.67100	0.1
108.08113	0.2
108.66516	0.1
109.02834	0.2
110.01234	0.2
110.97597	0.3
113.02396	0.2
114.09155	100.0
115.08737	0.2
115.09496	2.7
116.07138	0.2
116.10719	0.6
116.98602	0.5
117.01788	0.1
118.00997	0.2
118.19570	0.1
119.01856	0.5
120.00792	0.2
120.97961	0.2
121.01598	0.2
124.07558	0.4
127.03923	0.7
128.02293	0.6
128.98607	0.5
130.08646	0.3
132.00803	0.3
133.01590	0.1
133.03406	0.1
134.99620	0.3
135.03047	0.3
137.02831	0.2
137.05997	0.3
137.43013	0.2
139.01489	0.3
140.05556	0.2
141.01260	0.5
142.08629	1.1
145.01636	0.3
145.04916	0.2
146.99661	0.6
147.03156	0.2
148.02016	0.5
148.03833	0.3
150.01846	0.7
154.07132	0.7
155.01822	0.2
157.02536	1.1
158.17677	0.1
158.99641	0.3
159.04996	0.2
160.09666	1.2
161.03079	0.2
161.99895	0.2
162.01704	0.2
163.03937	0.4
165.00690	0.4
166.03053	0.3
167.07034	0.2
168.01709	0.1
169.55492	0.3
170.99684	0.2
172.08177	3.9
173.01144	0.2
173.02980	0.2
173.08257	0.2
174.09795	0.4
174.99120	0.3
175.02580	0.3
177.00681	0.4
177.02296	0.3
178.04871	0.3
178.55093	0.3
178.98405	0.3
179.02216	0.2
182.06613	1.0
182.07956	0.6
183.02287	0.4
189.00758	0.2
190.98650	0.2
191.02113	0.3
193.00142	0.4
196.99484	0.3
200.07661	7.4
201.07883	0.7
204.02783	0.3
205.01860	0.5
205.51880	0.2
206.02519	0.2
207.01743	0.2
207.03574	0.2
212.02660	0.5
213.03357	1.5
218.08730	2.7
219.01779	0.4
219.08894	0.2
220.04190	0.6
220.99586	0.3
221.03128	0.3
221.11249	0.2
222.03836	0.2
222.54179	0.2
223.01178	0.3
223.04677	0.2
226.02321	1.0
228.53842	0.2
229.04672	0.6
230.98238	0.2
232.99628	0.2
235.02890	1.1
235.04921	0.2
235.53000	0.2
237.02765	0.3
239.00624	0.2
241.03358	0.2
241.10193	0.2
242.03606	1.1
242.05467	0.2
242.08846	0.2
242.53824	0.3
244.03485	0.3
245.05057	0.3
246.53580	0.2
249.14482	0.5
250.57187	0.2
251.00752	0.2
251.04070	0.4
251.06514	0.2
267.11841	0.3
267.15521	0.6
268.11554	0.2
277.02277	0.2
277.14008	0.6
295.14999	27.7
296.15210	2.9
313.16122	0.4
317.05664	0.2
321.99512	0.2
323.14471	12.9
324.14676	1.6
337.08508	0.2
338.09674	0.2
339.09564	0.2
341.15543	47.5
342.09515	0.2
342.11484	0.2
342.15771	5.6
364.17065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01861	1.6
58.06600	4.9
58.88774	0.8
63.05974	1.0
64.97424	0.9
69.03407	1.2
70.06584	1.4
71.09550	2.1
76.02449	0.8
79.05478	5.2
81.03408	0.8
81.07035	1.3
86.09715	1.2
91.05456	8.5
94.04160	2.4
95.04936	1.5
99.04488	0.8
103.05446	5.5
105.07018	21.9
107.04929	2.2
109.06525	1.9
110.27439	0.9
115.05441	6.7
117.03387	1.2
117.07024	2.5
118.04173	1.7
119.04934	5.1
119.08575	3.3
121.06526	2.2
122.03637	9.3
128.06252	1.9
129.07001	4.6
130.04115	2.0
131.04881	4.3
131.08495	1.1
132.05693	2.8
133.06468	20.0
133.10060	1.1
137.05957	100.0
138.06274	0.9
143.04839	1.0
144.05685	2.8
145.02847	2.4
145.06473	1.5
146.03426	0.9
147.04466	6.6
147.08041	4.7
149.05940	3.0
151.07536	2.1
155.04846	1.2
159.07982	6.0
160.05183	2.6
161.05957	39.7
162.06703	2.6
163.07544	1.7
167.07097	2.1
172.05170	7.0
174.06781	2.0
175.07521	34.1
177.05481	4.0
178.05846	1.8
179.05946	2.5
179.08458	0.8
187.07510	26.2
188.07997	0.9
189.07047	1.9
189.09084	2.6
190.07820	3.2
191.07019	1.6
191.08537	8.8
193.08600	1.4
194.07300	1.3
197.87149	1.0
199.07426	1.5
202.07771	1.7
203.08549	3.5
205.06476	2.3
207.07889	1.5
208.08737	1.4
211.07526	1.5
217.06700	1.3
217.08453	4.7
218.07297	2.0
219.08011	16.7
220.08832	3.1
221.06017	1.1
221.09708	0.9
227.07045	1.1
231.08080	6.7
235.07510	3.1
236.08392	2.1
236.10851	0.9
237.09053	2.3
240.07591	0.9
247.07484	7.3
248.08315	3.2
251.10620	14.0
253.08624	1.6
259.07501	2.9
261.09210	1.4
263.07169	1.1
263.10696	3.4
264.07901	2.8
265.08502	5.3
270.08902	1.5
276.07916	1.1
279.10117	17.0
280.10815	1.2
281.08020	2.2
281.11725	1.3
291.10138	8.9
292.10779	1.2
295.09558	1.4
296.10361	2.6
297.11148	3.4
308.10437	1.0
309.11087	8.4
310.12088	1.0
311.12720	21.3
312.12906	1.3
323.12924	6.9
324.08728	0.9
332.50378	1.0
341.13898	13.1
342.16949	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	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.36000	0.6
53.03948	0.8
57.06736	0.7
57.28025	0.7
69.03403	1.3
70.10664	2.9
70.11073	1.7
71.04984	0.9
79.05495	1.9
81.07050	1.1
88.09432	0.7
91.05476	2.6
94.04184	2.5
95.04955	1.4
98.21420	1.3
105.07024	1.8
107.04955	1.6
109.06521	3.2
115.05463	1.6
117.06992	0.9
119.04973	1.0
122.03637	7.8
128.06218	2.8
129.06996	11.0
131.04927	3.0
131.08606	1.2
133.02869	2.2
133.06512	1.7
135.04356	1.0
137.05969	100.0
138.06346	1.9
143.04871	1.4
143.08540	1.9
144.05635	3.6
145.06491	1.3
146.03697	0.7
146.07298	1.0
147.04395	1.7
147.07999	0.9
149.05939	1.4
151.03897	1.6
151.07518	4.0
153.05486	1.5
156.05681	1.2
157.06479	7.8
158.07210	1.7
160.05188	2.0
160.39861	0.9
161.05974	3.3
163.07530	3.2
165.05496	1.3
165.06914	0.9
167.07036	1.3
171.08069	2.1
172.05203	6.4
173.05952	1.2
174.06764	10.2
175.07553	9.2
177.05489	2.3
179.03406	1.4
179.07080	1.6
184.05199	0.8
185.05997	1.5
187.07533	39.5
188.08057	2.4
189.09091	16.0
190.07753	1.0
191.07051	1.3
191.08485	4.5
196.05132	1.2
199.07509	5.5
202.07765	3.3
203.08551	12.8
205.06561	1.7
207.07985	1.1
208.08884	1.6
211.07559	4.3
217.08598	24.7
218.07230	1.8
218.09161	0.9
219.08055	10.6
220.08752	4.7
221.05952	1.7
221.09442	1.6
222.06718	0.8
225.09143	1.0
227.07086	5.6
231.08054	14.4
232.08797	3.5
233.05974	1.9
233.09560	2.3
234.06561	1.1
235.07541	3.2
236.08347	2.8
237.09091	2.6
239.07045	3.3
240.07846	2.3
245.09564	1.0
247.07579	8.1
248.08313	15.5
249.09056	2.8
250.06175	1.7
251.10634	5.6
253.08589	2.9
254.09357	1.0
255.06462	5.2
256.07373	1.4
259.07538	7.1
260.08368	3.5
261.09091	3.4
262.09909	1.4
263.07220	2.0
263.10672	12.3
264.07825	4.0
265.08569	6.1
268.07269	1.9
269.08240	1.3
270.08850	12.4
271.09616	7.4
276.07825	9.5
277.08551	4.8
278.09424	1.4
279.10175	14.6
280.10831	1.8
281.08093	3.6
283.09644	3.0
291.10135	38.0
292.10754	4.6
293.08081	3.7
294.08780	0.9
296.10413	10.4
297.11099	2.0
305.11826	0.8
307.09592	1.1
308.10449	4.7
309.11102	2.2
311.12756	18.9
312.13086	1.7
313.14117	0.9
323.12762	43.7
324.13196	2.1
341.09760	1.5
341.13812	26.6
342.14001	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	341.0863
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
53.03929	0.5
55.01849	0.4
57.03423	0.2
57.83998	0.2
61.02900	0.9
67.05464	0.3
69.03423	1.6
69.07066	0.3
69.98563	1.3
70.06583	1.1
71.04975	0.3
72.08144	0.5
73.02891	0.5
79.05460	0.8
81.03409	1.2
81.07041	0.4
83.04942	0.3
84.04477	0.2
84.08121	0.9
85.02888	3.3
86.03234	0.3
86.09686	0.4
87.04465	0.3
89.03877	0.6
91.05399	0.4
91.05828	0.4
93.07008	0.2
95.04955	0.5
95.08564	0.3
97.02876	1.3
97.06532	0.3
98.20686	0.4
98.97578	0.3
99.04434	0.8
103.05429	0.5
104.05341	0.2
105.03352	0.4
105.06977	0.6
107.04914	0.6
108.73109	0.2
109.02847	1.0
110.07135	0.4
111.04441	0.6
114.09140	0.2
116.98631	0.2
117.03325	0.3
117.06947	0.2
119.04932	0.6
120.08096	0.4
121.10021	0.3
122.03616	0.3
123.04408	8.1
124.04685	0.3
127.03947	1.0
129.06946	0.2
129.10277	0.5
131.04910	0.6
133.02831	8.0
133.06471	0.5
135.04379	1.8
136.07544	0.3
137.02274	0.2
137.05956	4.8
139.03816	0.4
145.02873	0.3
145.04955	0.4
145.06400	0.3
147.04382	1.6
149.05969	0.3
151.03882	3.5
151.07498	0.7
157.06458	0.4
159.08044	0.2
161.02341	0.4
161.05927	1.1
163.03914	1.1
163.07480	0.4
164.06995	0.2
165.05467	0.3
167.07025	0.6
172.05206	0.2
174.06761	0.6
175.07541	0.9
176.04398	0.2
177.05428	0.3
179.03366	100.0
180.03705	2.8
180.06476	0.4
181.04912	0.3
187.07495	2.1
189.05408	0.3
189.09041	0.3
191.07021	0.5
199.07445	0.3
203.08644	0.3
205.08548	0.2
207.06465	0.7
211.07683	0.3
217.08585	1.3
219.08069	0.6
221.03215	0.3
221.07945	0.3
227.07074	0.3
231.08044	0.7
233.08125	0.4
236.08336	0.2
237.02931	0.2
247.07503	0.4
248.08296	0.5
249.09378	0.3
250.06082	0.2
251.10765	0.3
259.07321	0.2
263.07065	0.3
263.10648	0.6
265.08627	0.6
270.09024	0.3
279.10168	0.3
280.07175	0.3
291.10141	1.0
295.09683	0.3
296.10428	0.5
297.11362	0.3
297.15305	0.7
309.11053	0.5
311.12650	1.2
323.12759	1.7
323.16132	0.3
341.08585	1.9
341.12988	2.5
341.17804	1.8
359.02960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1538
Annotation	Isoapocavidine
Peak:m/z	Relative Intensity
50.46870	0.4
53.03909	0.4
55.01853	0.4
55.05486	0.5
56.05019	0.4
67.05488	0.7
69.07084	0.4
69.90499	2.8
70.06576	0.6
71.67975	0.4
72.04507	0.6
79.05444	0.7
81.03385	1.2
81.07038	0.8
82.03711	0.6
83.08600	0.5
84.08153	0.4
89.03922	0.5
90.04253	0.6
91.05444	1.9
93.07015	0.8
95.04940	3.4
96.04482	1.0
98.21470	0.6
100.11238	1.2
103.05457	0.9
105.07018	0.8
107.04935	54.3
107.08569	0.9
108.05281	0.4
109.02847	0.8
111.04395	0.5
114.09121	0.5
115.05440	3.9
117.03358	1.4
117.07014	1.7
118.03704	0.9
118.06519	1.3
119.04932	4.4
119.08555	0.6
121.06499	2.1
123.04408	6.3
123.52950	0.4
124.07568	0.5
125.05978	0.4
128.06233	0.4
129.06967	0.6
130.04118	0.7
131.04910	2.8
132.08087	0.5
133.06447	0.7
133.08873	0.7
135.04437	0.5
137.05959	8.9
143.04889	6.2
144.05655	0.6
145.02843	3.0
145.06456	4.9
146.03143	3.2
146.09642	0.7
147.04390	3.7
149.05952	0.9
150.06570	0.8
151.07512	1.6
156.08086	0.5
160.05190	2.2
161.05974	1.0
162.05482	6.7
162.06763	5.0
163.03891	2.5
163.06224	2.6
163.07538	3.1
165.05486	1.1
165.06900	0.7
165.09125	0.6
167.07101	0.4
172.07581	2.6
174.05380	0.6
175.07533	8.7
176.06978	2.6
176.14316	16.0
177.05435	5.1
177.07799	11.9
178.05858	7.3
178.08588	12.4
181.06497	0.8
181.10109	0.5
182.15363	0.5
187.07536	1.6
190.08609	1.6
191.08511	2.3
194.07237	1.7
195.08141	0.5
200.07045	3.0
202.08661	0.4
204.10210	5.0
209.09549	4.4
210.14943	0.5
214.08603	1.3
215.09363	1.3
216.10155	6.1
218.08109	14.0
219.08138	1.9
222.52780	0.5
227.17610	0.7
232.09641	12.7
232.11932	0.7
233.10428	31.7
234.10762	0.7
237.09084	5.2
247.07379	0.5
254.09331	1.2
267.10074	0.8
269.11731	6.4
279.10126	0.7
291.10172	0.5
308.10297	0.5
309.11075	0.8
322.10034	1.7
322.14362	1.9
322.24377	0.5
323.12772	0.6
340.15417	100.0
340.19064	14.0
341.16174	2.5
343.30658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03944	1.2
55.01855	0.3
57.03429	1.1
61.02906	0.5
63.02373	0.5
65.83814	0.2
69.03419	5.1
71.04976	0.7
71.05354	0.7
71.05737	0.3
73.02915	0.7
81.03407	9.7
85.02895	3.7
89.03902	6.4
89.35450	0.2
91.05482	1.2
93.07047	0.3
97.02883	1.5
99.04442	1.5
101.02330	0.3
103.05444	0.5
109.02871	4.0
117.03362	20.6
118.03690	0.7
119.04929	1.7
121.06452	0.2
127.03876	2.6
131.04881	0.4
134.03558	1.6
135.04401	1.3
137.05920	0.5
145.02826	51.2
146.03181	1.7
147.04381	4.8
149.05972	7.0
150.06306	0.3
151.07672	0.3
163.03850	1.2
166.83943	0.3
177.05441	100.0
178.05812	3.8
186.05475	1.2
195.06502	2.9
207.06319	0.3
219.02777	0.8
261.03790	0.6
279.08582	0.4
307.09567	0.5
321.09656	12.2
322.09839	0.9
339.07004	0.3
339.10693	4.7
340.10831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01858	3.4
55.05497	3.3
56.96553	2.4
57.03418	3.3
59.04983	2.2
59.34232	0.8
61.02914	1.2
65.03938	3.0
67.05499	6.0
68.99776	1.9
69.03411	6.1
69.07053	2.2
69.20738	0.8
70.06586	5.0
71.04973	3.4
71.78574	1.5
72.08149	8.7
73.02902	3.1
76.09069	0.8
79.05485	8.1
81.03408	10.1
81.07034	11.6
82.06562	1.6
83.01352	1.8
83.04985	2.5
83.08617	1.2
84.04497	2.1
84.08141	3.5
85.02893	15.2
85.06526	7.1
86.09698	3.1
89.03880	4.4
91.03899	0.8
91.05451	6.6
93.03384	5.5
93.05789	0.8
93.07047	1.8
94.06567	4.6
95.01348	1.9
95.04955	7.4
95.08600	1.3
96.08112	2.5
97.02882	5.9
97.06509	5.4
97.07652	1.8
98.06104	1.4
98.06851	2.9
98.97571	3.6
99.04454	1.6
103.05474	1.7
105.03400	3.0
105.07018	2.4
106.06535	1.1
107.01330	1.8
107.04941	8.9
108.08082	2.2
109.02863	9.8
109.06504	4.8
110.05305	1.2
110.06027	10.3
110.07125	1.2
110.97496	1.0
111.04436	4.2
112.07626	1.3
114.09137	2.2
114.10255	3.3
116.98591	2.6
117.03358	9.1
117.07000	1.7
119.04920	7.8
119.08553	1.5
120.08089	2.8
121.01192	1.3
121.02854	6.2
121.06489	2.4
122.06007	21.1
122.06690	0.8
123.04432	5.1
123.06770	2.0
123.11647	1.4
124.07575	19.0
125.02325	1.2
127.03881	4.2
128.07068	2.0
128.98601	1.3
129.10249	1.2
130.04993	1.5
130.06516	1.0
131.04938	2.9
131.08591	1.1
133.02832	0.9
133.06479	2.1
134.05986	19.2
134.99734	1.0
135.04399	6.4
136.07553	89.0
137.05962	8.1
137.07887	8.0
139.03874	6.3
140.07071	7.1
141.09103	1.3
141.12721	8.3
143.10667	1.7
145.02834	25.6
145.06357	0.9
147.04387	16.3
149.02319	7.5
149.05931	7.2
150.05489	7.4
151.03893	3.5
151.07539	1.1
152.07045	93.5
153.01797	1.4
153.07379	3.4
154.08568	1.2
156.00774	2.4
156.06595	1.2
158.08150	1.5
158.09618	1.3
159.04385	2.1
159.06648	1.1
159.13795	3.9
161.05954	3.1
163.03876	14.4
163.07571	1.1
164.07039	100.0
165.01732	1.0
165.05460	2.4
165.07391	1.3
166.08612	2.0
166.12263	2.5
167.03291	1.7
167.07021	1.9
168.06520	2.5
170.08109	13.5
171.01259	3.6
171.04424	1.3
172.05162	1.0
172.11282	1.0
173.02335	3.6
173.06020	1.3
175.00267	3.0
175.03876	1.4
176.04552	5.1
176.09244	1.1
177.01993	4.3
177.05432	50.3
177.14857	3.1
178.05936	1.8
181.04929	3.3
181.06422	1.1
182.08105	30.2
182.09668	1.9
187.03891	2.7
189.01723	3.2
189.05486	2.9
191.03395	10.7
191.06995	1.0
192.04010	0.9
193.01376	1.9
193.09779	3.1
194.04463	1.0
194.10046	4.5
195.02852	10.3
195.06534	1.2
198.01776	2.2
200.10686	2.2
203.03366	3.7
205.04904	4.8
207.02710	11.8
207.06528	3.5
207.52499	1.1
208.03354	1.1
208.07129	2.5
209.04381	3.5
213.02194	1.8
214.12196	1.9
215.03398	2.3
215.06847	1.3
216.02940	1.2
217.04944	3.0
219.02853	94.2
220.03117	5.5
220.09793	1.2
221.04489	1.2
222.02974	1.2
222.09457	1.0
225.03893	11.8
229.04964	1.6
231.02670	1.1
232.09462	1.1
232.13298	1.8
233.04413	12.5
235.05876	2.2
237.03925	8.7
242.11749	2.3
245.04457	2.9
247.05896	1.6
249.03920	2.8
251.05530	2.9
258.03787	5.4
258.54315	1.8
260.12756	6.2
261.03909	46.1
262.04361	2.2
266.13855	1.3
267.05179	2.0
278.55481	1.2
279.05054	1.1
280.11688	1.1
285.03824	1.1
285.12268	2.5
291.04968	8.3
297.07159	1.2
303.05084	5.2
303.13348	60.7
304.13748	2.9
307.09418	1.8
309.11005	0.9
318.56747	1.2
321.06357	6.3
321.09799	3.9
321.14365	18.8
322.13870	2.0
339.07028	20.7
339.11615	2.0
339.16174	16.1
339.19904	2.0
340.07599	2.7
340.17725	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
53.11203	0.3
55.01867	0.7
55.05499	0.7
57.03434	1.3
62.06089	0.5
63.02353	0.3
67.05492	1.5
69.03417	5.4
69.07054	1.0
71.04974	1.0
71.78905	0.7
73.02893	0.7
76.61880	0.3
79.05482	0.9
81.02928	0.7
81.03405	12.3
81.07031	2.0
83.08588	0.5
85.02885	4.4
89.03898	4.6
91.05474	1.6
91.76161	0.3
93.07047	1.3
95.04965	0.6
95.08597	3.7
97.02893	1.7
99.04440	1.5
103.05463	0.4
104.75514	0.4
105.07013	2.7
106.04167	0.5
107.08561	1.7
109.02858	5.0
109.06481	0.6
109.10139	1.2
109.37509	0.4
109.84288	0.3
117.03363	19.0
117.06946	0.3
118.03687	0.5
119.08574	2.8
121.10123	1.3
123.11700	0.8
127.03889	2.4
129.06909	0.5
131.08560	1.5
133.10098	1.2
134.03577	1.2
135.04428	1.7
135.11655	0.5
143.08542	1.0
145.02823	47.7
145.10081	1.9
146.03200	1.8
147.11676	1.2
149.05945	7.0
149.13254	0.6
151.03876	0.4
156.09383	0.4
157.10109	1.0
158.06023	0.5
159.11644	0.9
163.03847	1.0
167.06909	0.3
169.10068	1.0
171.11662	1.2
173.13281	0.9
175.14795	0.9
177.05440	100.0
178.05798	3.2
183.11681	0.6
185.13263	1.2
186.05441	3.1
187.14667	0.5
195.06476	3.5
197.13205	0.8
199.14790	0.6
201.16396	0.5
209.13196	0.4
219.02856	0.9
223.14719	0.6
225.16322	0.5
237.16405	0.6
279.08496	0.5
293.22461	2.1
319.03235	0.4
321.09641	16.6
322.09940	1.5
339.10626	4.7
339.19403	0.9
339.23026	4.3
339.26804	1.7
339.30270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1068
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.64650	0.4
51.02356	0.4
51.93011	0.4
52.72013	0.3
53.03926	1.7
55.01860	0.4
55.05480	0.6
57.03415	1.1
63.02366	0.8
69.03417	6.5
69.07034	0.7
71.04980	0.8
71.79255	0.5
73.02890	0.9
79.05452	0.6
81.02927	0.7
81.03402	14.0
81.07059	1.0
83.08606	0.4
85.02892	5.4
89.03896	6.6
91.05450	0.8
93.07023	0.9
95.04980	0.4
95.08557	0.7
97.02860	1.4
99.04417	1.6
105.06992	0.9
107.08577	1.0
109.02859	4.9
109.06447	0.4
109.10095	0.8
117.03360	21.6
118.03681	0.8
119.08569	0.8
121.06522	0.4
125.09579	0.4
127.03884	2.2
133.10063	0.6
134.03603	1.6
135.04378	1.8
135.11752	0.8
145.02821	50.9
145.10107	0.4
146.03127	1.8
147.11688	0.5
149.05954	6.8
155.08546	0.4
158.06003	0.4
163.03847	0.9
177.05437	100.0
178.05794	5.5
186.05464	2.6
195.06502	2.9
199.14651	0.5
219.02881	0.7
279.08612	0.7
321.09625	19.5
322.09912	1.3
339.10611	4.3
339.19470	0.6
339.23065	0.9
339.26746	1.6
340.10931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.00104	0.3
55.01857	0.3
57.03422	0.6
61.02926	0.7
63.02388	0.4
69.03419	5.4
69.77896	2.2
71.04977	0.5
72.13603	0.3
73.02925	0.4
81.03407	11.7
81.07040	0.5
85.02895	3.9
89.03899	5.9
91.05458	1.2
97.02866	1.2
99.04425	1.2
105.07035	0.3
109.02861	5.4
109.63376	0.3
117.03364	19.2
118.03661	0.7
119.04935	0.9
119.08559	0.3
120.49136	0.3
127.03907	2.0
134.03629	1.2
135.04375	1.3
137.05959	0.7
145.02827	51.5
146.03130	1.9
147.04381	3.1
149.05954	7.6
159.08002	0.3
162.03148	0.3
163.03946	0.7
177.05444	100.0
178.05786	4.2
185.27675	0.3
186.05479	1.1
195.06528	2.4
207.06351	0.3
219.02870	1.0
247.07474	0.3
258.83337	0.3
279.08652	0.4
311.12439	0.3
321.09662	14.6
322.09888	0.9
339.10803	3.9
339.18735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
55.05489	5.6
56.96552	38.0
57.03416	7.8
58.06556	2.3
58.96165	2.5
60.04497	6.2
60.05631	5.0
60.95840	15.2
61.02916	13.7
67.05518	2.4
69.03422	14.2
69.93454	15.0
70.06562	9.9
70.98095	7.9
72.08145	12.4
72.97702	2.4
73.02887	7.2
74.97396	3.7
81.07024	2.5
82.78780	2.1
84.08125	19.8
84.96025	3.9
85.02889	26.9
86.09679	5.6
87.04442	3.5
88.99129	5.4
92.98430	5.1
96.08089	2.7
97.02879	8.1
97.07613	4.1
98.06039	4.6
98.21399	2.5
98.97566	100.0
99.04470	2.6
99.92844	2.2
101.00844	3.5
102.96839	6.2
107.04948	3.7
109.02857	4.3
110.97549	24.0
114.09149	6.0
114.10278	7.4
116.98605	69.1
117.01802	3.0
119.01845	8.4
119.02605	2.8
119.04909	2.7
125.52799	2.3
126.02518	2.8
127.03898	8.0
128.07062	2.6
128.98584	30.5
129.10197	6.4
130.08617	36.5
131.01852	3.5
131.08936	2.7
131.12895	17.7
132.10194	2.6
132.98048	2.9
133.01707	3.5
133.03398	2.7
134.24593	2.0
134.98680	3.0
134.99634	32.2
137.05946	2.6
140.00212	2.5
143.00131	5.7
145.01608	2.9
145.04889	2.7
146.99632	25.5
147.00780	3.0
147.01155	2.3
147.03081	4.5
150.98929	4.1
152.98642	2.4
153.00700	3.4
153.98541	2.5
155.00180	2.9
155.04663	3.0
156.01831	2.2
158.01202	2.4
158.99634	37.6
161.01178	6.2
163.03938	4.1
165.00668	10.1
167.07091	5.4
168.01797	2.6
168.05437	3.3
169.00003	8.3
170.99625	13.7
171.00957	2.6
172.97575	2.8
173.01263	2.7
173.02957	4.4
174.99164	3.7
175.02660	2.6
176.09158	2.3
176.96846	5.4
177.00716	58.7
177.02315	7.6
177.04143	3.5
177.06602	42.1
183.86166	2.2
185.03029	2.4
186.04446	6.4
188.52469	5.4
188.97086	2.8
189.00705	38.2
189.02359	2.4
189.03139	2.6
190.01208	2.4
190.98611	7.9
191.02263	3.5
191.03856	2.7
193.00168	4.8
194.97897	24.8
195.01648	5.7
197.53108	3.8
201.00713	5.7
204.05469	3.5
207.01787	18.9
208.99503	5.9
212.98926	5.9
219.01714	25.3
219.03516	3.7
220.06010	14.9
220.54245	3.1
220.56152	8.6
222.97432	6.4
227.00563	5.4
227.06763	2.7
231.03514	2.8
232.98575	2.5
236.07460	2.6
236.98929	17.6
237.02711	16.6
239.53911	3.6
240.04691	3.3
248.57521	3.6
249.02780	4.7
249.06157	8.8
250.03410	2.9
250.07198	2.7
255.00027	9.1
255.03859	4.8
256.96512	2.6
257.57379	2.8
263.00638	4.2
265.01016	9.1
273.04257	2.7
273.55365	3.0
274.97391	18.9
279.00009	6.1
279.03845	50.4
292.98499	14.6
297.01001	8.5
297.04892	16.2
330.08282	3.6
339.11642	8.8
339.16415	15.8
339.20236	3.5
348.09457	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	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01860	2.3
55.05498	2.4
57.03426	3.1
67.05496	7.8
69.03427	4.1
69.07061	24.0
69.72546	0.8
69.79440	3.2
69.79869	2.8
70.06580	3.9
70.07401	0.9
71.04978	1.7
72.08147	5.5
73.06541	2.6
79.05471	3.5
81.03409	6.2
81.07044	23.7
82.06578	1.3
84.08115	2.5
85.02895	28.7
85.06511	3.2
86.09685	3.2
87.04470	1.3
89.03899	2.5
91.05468	3.0
92.02393	0.8
92.52567	0.8
93.07029	2.6
94.46875	0.8
95.04948	2.1
95.08593	100.0
96.08933	2.7
97.02876	3.4
97.06519	17.6
99.04453	7.4
99.08071	6.4
103.03922	3.1
105.06978	1.4
107.04933	1.2
109.02854	3.9
109.06499	1.5
110.07182	1.4
111.04399	2.0
112.07584	1.4
113.05981	1.6
113.09631	14.9
114.09171	2.3
114.10227	1.0
115.07549	32.7
116.07916	1.2
117.03370	9.3
119.04916	2.9
121.02863	1.2
121.06474	1.1
123.04417	1.3
123.08053	45.7
124.08385	1.4
127.03877	1.8
129.68973	0.8
130.04970	1.2
130.08635	7.5
131.07019	3.2
134.03583	1.0
135.04375	2.9
136.07559	1.3
137.05971	2.9
139.03886	3.1
141.09085	92.5
142.09464	2.8
145.02824	22.5
145.04819	0.9
147.04396	9.6
149.05971	2.3
152.06964	1.1
153.05424	1.4
154.08598	1.5
158.74323	1.0
159.10150	84.9
160.10529	2.8
161.05956	2.0
163.03885	6.2
164.04356	1.2
167.03381	3.0
167.06987	1.2
172.09740	1.1
175.03871	1.3
177.05437	45.6
190.10681	1.4
191.03386	2.0
195.02812	2.1
195.06543	1.1
203.03409	4.5
205.87929	1.1
207.02713	1.7
207.06502	2.6
209.04402	1.2
215.03168	1.2
217.07019	1.3
219.02885	11.6
226.15587	0.9
233.04401	1.5
261.03854	5.0
279.13300	0.9
280.11795	2.5
291.05060	1.5
307.09528	1.0
321.06461	1.2
321.09570	6.2
338.15891	3.6
339.07535	2.7
339.11938	1.5
339.16501	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	337.2731
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.42737	0.5
52.67971	0.6
53.03930	1.3
55.01864	1.2
55.05499	23.9
56.96555	8.1
57.03429	16.8
57.07066	4.1
65.03918	1.4
67.05491	53.2
68.05817	1.2
69.07056	33.5
70.07441	3.3
71.04962	1.3
71.08604	1.9
78.70673	0.5
79.05482	15.2
81.07040	54.9
82.07355	1.2
82.25499	0.6
83.04958	1.5
83.08603	15.9
85.06516	1.7
91.05465	8.5
93.07026	15.0
94.07365	0.9
95.04935	2.1
95.08587	40.1
96.08908	1.8
97.06499	3.0
97.10144	8.5
97.99175	2.0
99.08057	1.0
105.06305	0.9
105.06992	8.1
105.65732	0.6
107.08572	9.7
108.08880	0.9
109.10138	15.1
110.10362	0.5
111.08057	1.9
111.11697	1.5
116.00174	2.0
117.06924	0.8
119.08553	6.8
121.10110	7.9
122.10484	0.6
123.08073	0.7
123.11688	6.6
125.09600	1.3
131.08522	1.3
131.41258	0.5
133.10114	6.4
135.11664	4.3
137.09598	1.0
137.13191	2.6
139.11140	0.9
145.10095	1.6
147.11636	4.5
149.13196	2.2
151.14832	1.0
159.11670	1.1
160.02641	0.5
161.13246	3.9
163.14793	2.4
165.16415	0.6
173.13208	0.8
175.14845	2.1
177.16359	0.8
187.14816	0.8
189.16382	1.2
203.17970	0.7
216.15289	0.5
223.14449	0.8
245.22650	1.8
254.22510	0.6
256.89401	0.5
263.23642	3.0
293.67392	1.1
294.17584	0.8
302.67969	2.0
303.17889	0.7
305.18112	3.1
305.68610	0.8
306.18790	1.0
314.18875	0.8
316.68936	2.5
317.69650	0.6
337.27298	100.0
338.27625	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	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73207	1.0
70.07124	4.8
70.07530	2.5
95.58028	1.1
114.09184	1.4
115.09499	2.1
119.01871	1.1
210.25072	1.0
224.80113	1.2
314.84558	1.2
337.08875	100.0
337.17111	4.4
338.09274	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	337.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
56.96558	55.4
57.03431	14.8
61.02919	21.8
69.03420	10.5
70.06580	6.9
70.52795	5.8
70.98106	18.2
71.04993	1.8
71.95264	2.2
72.08156	3.1
73.02916	7.4
74.97596	2.9
76.02792	1.3
76.03271	1.1
81.03399	3.0
84.08131	8.4
84.96008	6.4
85.02894	17.5
86.03251	2.2
87.00826	2.3
87.04477	3.7
88.99124	12.3
96.08105	3.3
97.02890	7.7
98.03191	2.0
98.06057	1.5
98.97568	69.5
99.04385	1.3
100.99153	2.3
101.00883	3.5
101.02419	1.3
107.00166	2.3
109.02892	3.3
110.97546	18.0
110.98257	1.5
112.99147	8.8
113.02280	1.3
114.09156	45.1
115.02438	2.2
115.08714	2.4
115.09486	25.3
116.07079	2.2
116.98609	38.5
119.01879	8.4
121.01666	1.9
124.95469	6.6
127.02449	1.3
127.03915	5.8
127.41235	1.4
128.07050	2.7
128.98581	28.2
129.01901	2.0
130.08644	5.8
131.00150	11.9
131.01805	2.9
133.01616	2.5
133.02612	1.5
133.03479	5.4
134.99640	16.3
137.02917	1.3
139.02469	1.6
140.98601	4.4
141.01311	2.7
142.96532	9.9
143.00166	3.2
143.01923	3.1
143.03419	1.5
144.98131	1.9
144.99786	1.5
145.01732	3.9
145.03455	3.7
146.08107	7.3
146.99635	29.5
147.03090	2.5
147.05058	1.8
148.01979	1.3
149.01218	6.7
149.02898	2.0
152.98619	1.7
154.08604	1.5
155.01884	2.6
156.98064	3.1
157.01573	2.2
157.03429	2.6
158.01326	1.5
158.99643	12.8
159.03194	2.0
160.09697	3.5
160.97609	4.4
161.01236	4.8
161.02965	5.2
162.99176	1.4
163.02803	3.3
165.00706	17.2
167.01971	3.1
170.96056	5.6
170.99670	6.7
171.01276	1.8
173.01208	3.4
173.02985	6.4
174.11238	38.7
174.99165	8.5
175.02858	2.0
175.04585	2.4
175.11594	49.4
175.13072	2.4
176.09122	8.7
177.00729	8.5
177.02338	2.9
177.04097	1.3
183.01758	2.6
184.96223	1.5
184.97481	7.6
185.02969	1.6
186.99091	1.7
187.00946	2.7
187.02837	2.2
187.04564	1.9
188.97046	26.5
189.00713	17.6
189.02339	2.3
190.98669	3.1
191.02269	5.8
191.03940	2.4
193.00194	9.3
193.03880	4.2
197.02963	2.7
201.00722	3.3
201.02426	2.2
202.98653	11.0
203.04091	1.9
204.05504	2.9
205.00233	8.0
205.01959	3.0
205.03745	2.1
206.98087	18.7
207.01715	12.3
209.03162	1.7
211.01118	1.5
211.04738	2.0
212.97061	2.2
215.00349	2.1
217.00183	5.7
217.02034	5.9
218.03448	13.4
218.53693	2.4
219.01787	12.6
219.03409	1.9
220.99643	6.9
221.05153	3.2
223.01303	4.7
224.99213	2.6
226.02380	5.3
226.04460	1.3
227.03943	9.5
227.54057	2.1
230.98083	24.4
232.99773	3.7
233.03314	2.5
234.06677	2.2
235.01231	5.1
235.03305	7.4
237.02754	19.2
239.00647	2.9
244.99626	19.9
245.01834	1.5
245.05104	3.5
247.03333	2.0
248.99149	10.2
249.02888	3.2
251.04469	3.9
255.57809	1.7
259.06528	1.9
261.03696	1.5
263.00723	54.6
267.03879	2.5
269.05386	1.6
273.00912	1.9
277.02371	11.3
277.05753	4.0
281.01874	10.4
281.05087	2.4
286.02219	2.1
291.04587	4.9
293.05597	2.1
295.03442	3.3
295.06848	21.5
299.03180	2.8
305.01895	4.1
317.03326	1.5
318.09027	1.6
333.03229	3.0
337.08868	100.0
337.16901	36.4
338.09201	4.3
338.14529	1.7
355.09131	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	337.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	78.5
57.03416	1.9
61.02913	3.0
69.03417	1.4
70.23849	2.5
70.24242	2.6
70.52197	0.9
70.98103	21.1
70.98457	1.9
71.59816	1.0
71.95267	2.6
72.96033	1.1
73.02903	1.0
73.46862	1.0
74.97598	2.8
84.96016	6.9
85.02886	1.9
86.97565	1.3
88.99149	14.0
95.65466	1.0
98.97565	100.0
107.00189	3.4
110.97550	22.6
112.99118	6.9
114.09163	3.4
115.00697	2.8
116.98599	55.8
124.95451	8.6
126.02119	1.2
128.98584	35.3
130.08586	1.9
131.00145	10.5
133.01723	4.9
133.03400	1.4
134.99631	21.5
140.98561	7.5
141.35278	1.1
142.96504	15.0
143.00159	4.9
144.98097	3.0
145.01698	2.4
146.99628	44.5
149.01195	5.2
151.02774	2.4
152.94940	1.9
152.98579	2.4
153.00658	1.7
156.98099	3.6
157.01631	1.3
158.99644	16.4
160.09738	1.2
160.97563	6.6
161.01135	5.7
161.03038	1.2
161.95045	1.3
165.00693	27.3
170.95990	12.8
170.99646	7.5
172.97633	2.7
173.01178	1.8
174.11269	1.7
174.99129	7.8
175.02800	4.6
175.11584	3.1
177.00687	11.2
179.02243	2.0
183.01772	2.3
184.97527	11.6
186.99113	2.6
188.97040	42.5
189.00670	24.0
190.98645	4.0
191.02222	2.5
193.00180	9.4
193.03780	1.4
198.99144	1.5
201.00696	4.0
202.98601	20.6
203.02269	1.4
205.00162	11.0
206.98116	27.5
207.01703	20.2
212.96950	5.5
214.98639	1.3
217.00191	11.4
217.03824	2.8
219.01723	21.6
220.99657	12.2
223.01205	8.2
224.99284	2.8
227.04138	1.1
230.98091	37.0
231.00394	1.9
231.98445	1.2
232.99658	3.7
234.06830	1.1
235.01201	12.3
235.03165	1.4
237.02798	29.5
237.64679	1.0
239.00723	1.8
244.99664	22.8
247.01244	2.0
248.99136	16.1
249.02727	5.6
253.99770	1.7
255.03751	1.8
263.00717	81.8
264.01038	3.1
265.02377	1.4
267.00229	1.4
267.03830	3.6
277.02304	17.5
277.05933	16.6
278.02737	1.2
281.01706	12.4
286.02341	4.4
295.03513	5.2
295.06921	56.2
296.07285	1.6
305.01865	8.1
318.08508	1.4
323.02686	1.4
337.04352	2.5
337.07971	31.3
338.08340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96004	1.8
55.05498	53.7
56.05835	2.9
57.03425	8.9
57.07064	22.3
65.03939	2.2
67.05491	74.3
68.05827	7.0
68.82847	2.1
69.03390	2.1
69.07055	67.0
70.06594	3.0
70.07390	2.4
70.64245	2.0
71.04964	2.7
71.08631	11.6
71.08966	1.8
72.08136	2.8
79.05477	26.8
80.05807	3.7
81.07040	100.0
82.07384	6.4
83.04969	2.4
83.08606	41.6
84.08122	2.9
85.06532	6.1
85.10162	8.2
86.06055	7.3
89.06030	6.9
91.05466	17.2
93.07029	29.7
94.07407	4.8
95.04955	4.9
95.08586	87.1
96.08932	8.0
97.06512	9.1
97.10145	30.8
97.32025	2.3
98.20646	4.1
99.08090	2.2
100.07602	9.5
105.07002	17.8
107.08574	20.2
108.08852	2.7
109.10136	46.7
109.10867	3.5
110.10462	3.8
111.08060	8.8
111.11730	6.8
114.09148	12.0
119.08566	17.7
121.10099	17.9
123.08032	2.6
123.11684	18.1
125.09640	4.7
126.09164	2.0
128.10704	7.1
133.10091	12.9
135.11678	16.8
137.09607	3.9
137.13239	8.9
139.11148	2.7
142.12259	4.1
145.10097	2.2
145.80733	2.3
147.11600	11.7
149.13237	9.3
150.13600	2.8
151.09625	13.4
151.11201	3.7
151.14798	3.7
156.13774	3.2
159.11652	2.9
161.13216	8.3
162.58693	1.9
163.14804	6.9
165.16408	3.5
170.15395	3.2
175.14813	6.7
179.18062	2.2
184.16902	2.3
189.16368	4.9
198.18639	2.6
203.17975	3.1
219.21194	2.3
221.22685	3.5
224.20097	2.3
240.23174	3.3
245.22623	2.7
254.24844	3.7
275.19977	1.8
301.28818	24.3
319.29895	52.7
320.30344	4.0
336.26120	39.5
336.32489	38.2
337.27264	22.8
337.32843	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	336.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05497	6.9
56.05022	0.9
57.03434	1.1
57.07056	0.4
58.59490	0.4
67.05460	0.5
68.05076	0.3
68.95088	0.4
70.06565	0.9
71.01344	1.2
71.78566	0.7
72.08140	1.7
73.02903	1.9
79.05479	5.9
81.03405	1.1
81.07038	4.8
82.06568	42.9
83.08606	1.6
84.08131	32.7
85.02888	3.8
86.09687	1.4
93.07028	0.6
95.04940	1.0
96.08116	3.4
98.09686	0.9
99.81388	0.4
100.07590	2.3
101.02349	0.6
103.03934	1.3
103.05453	16.3
105.03378	11.8
105.19565	0.4
107.04938	6.2
108.08113	0.7
109.02847	0.4
109.06484	2.8
110.07120	1.4
114.09167	2.0
116.25999	0.5
119.86182	0.4
120.08099	5.2
121.06456	0.8
123.04417	1.8
124.07572	11.2
126.09153	6.1
128.07059	100.0
129.07416	1.7
131.03413	0.7
131.04901	6.5
135.04379	0.7
139.07576	0.5
139.11151	0.8
142.08618	7.8
144.10197	0.7
148.69194	0.5
149.06030	0.8
150.88507	0.4
157.08595	0.4
158.44669	0.4
163.03891	3.6
170.08133	1.2
174.09149	0.5
177.05493	0.6
179.06981	1.2
188.09143	6.6
191.11784	1.2
219.11273	0.8
240.24962	0.4
281.34204	0.5
290.13803	11.0
292.15381	7.1
336.14340	69.8
337.09048	5.7
337.14746	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	1.8
55.01865	1.1
55.05505	16.1
57.03157	0.9
57.03429	16.4
57.07063	1.5
65.03915	2.9
67.05493	62.7
68.05821	1.1
69.03396	0.8
69.07056	15.5
70.60023	2.3
70.60367	0.8
71.04956	0.9
79.05013	1.4
79.05478	28.4
80.05824	0.8
81.07042	51.2
82.07377	1.0
83.04957	1.9
83.08605	6.5
91.05468	14.5
93.07031	30.9
94.07370	1.2
95.04937	3.5
95.08592	41.6
96.08890	1.3
97.06504	2.0
97.10132	2.8
98.21356	0.9
98.98425	1.3
104.98527	0.6
105.06998	8.9
107.08578	17.3
109.06482	1.5
109.10144	17.5
110.10443	0.8
111.08069	0.8
117.06985	2.8
119.08566	8.1
121.10126	13.6
122.10452	0.7
123.08053	1.9
123.11678	5.6
131.08525	4.9
133.10129	5.7
135.06955	0.8
135.07994	0.7
135.11665	7.7
137.13287	1.4
139.17870	0.7
145.10115	4.7
147.11670	3.6
149.13206	4.0
156.45854	0.7
159.11707	3.6
161.13235	2.5
163.14786	0.8
165.12671	0.8
173.13271	2.3
187.14740	1.7
222.75639	0.7
225.16508	0.7
261.22098	2.6
335.25729	100.0
336.26089	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03923	2.2
54.51580	0.5
55.01862	1.0
55.05502	15.2
57.03156	1.0
57.03429	17.2
57.07053	2.2
61.99672	0.5
65.03924	2.1
67.05494	63.9
68.05814	1.5
68.56198	0.5
69.03392	0.5
69.07058	15.8
69.08751	0.5
69.73489	3.1
70.09029	0.5
71.04968	1.9
76.02916	0.6
79.05482	34.9
80.05810	0.8
81.07043	58.4
82.07355	1.8
83.04964	1.3
83.08602	6.0
85.06513	1.0
91.04919	0.9
91.05467	16.4
93.07030	36.2
94.07352	1.2
95.04960	3.0
95.08592	49.7
96.08920	1.7
97.06498	2.0
97.10153	2.4
99.08071	1.1
99.86690	0.5
105.07021	11.1
106.07339	0.6
107.08578	19.3
109.06492	1.8
109.10141	20.0
110.10471	1.1
111.08056	1.7
111.11733	0.7
117.07024	3.3
119.08570	9.7
121.10123	14.6
122.10422	1.0
123.08006	1.1
123.11691	7.5
129.05444	0.6
131.08557	6.6
133.10117	7.2
135.10727	0.9
135.11678	10.5
136.12004	0.6
137.13203	2.0
143.08514	0.9
145.10100	4.9
146.50320	0.5
147.11681	5.3
149.13240	4.6
153.12665	0.6
159.11665	3.7
161.13234	3.0
163.11325	0.7
163.14757	2.5
173.13235	3.9
175.14787	1.6
177.12660	0.6
177.16306	1.0
187.14790	2.1
201.16325	0.7
243.20985	3.2
261.22116	6.1
263.34189	0.5
279.23160	0.7
317.24500	2.4
335.25742	100.0
336.26099	11.9
336.77325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	3.3
53.24329	1.1
54.50888	1.1
55.01838	1.3
55.05506	16.2
57.03429	16.6
57.07048	1.7
65.03928	3.2
67.05494	67.5
68.05831	2.3
69.07059	15.4
69.61421	1.3
71.04958	1.6
79.05480	32.2
81.07041	63.4
82.07377	1.5
83.04953	2.3
83.08591	6.6
84.39899	1.1
85.06524	2.2
90.94196	1.1
91.05463	16.2
93.07028	37.8
94.07338	1.2
95.04939	4.0
95.08589	54.7
97.06503	2.6
97.10148	3.5
105.07013	11.4
107.08572	18.9
109.10139	21.2
111.08025	1.4
117.07001	3.5
119.08577	8.3
121.10128	15.2
123.11678	8.4
130.04179	1.1
131.08551	5.8
133.10123	7.6
135.11684	11.6
137.09636	1.4
137.13239	1.6
145.10046	6.2
147.11647	4.8
149.12122	1.3
149.13181	6.1
159.11615	3.1
161.13223	4.3
163.14798	2.6
173.13272	4.2
175.14815	1.5
243.21042	1.8
261.22144	6.0
317.24371	1.4
335.25754	100.0
336.26035	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	335.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
57.03432	16.6
57.07071	100.0
58.07396	1.9
61.02914	2.9
69.03418	5.1
69.07061	1.2
70.06561	1.5
71.01357	13.1
71.52561	2.1
72.08143	1.7
73.02913	19.8
75.04476	2.9
83.01355	1.4
84.08144	3.0
85.02898	39.9
85.06538	88.7
86.06886	1.5
86.09668	1.7
88.34500	1.1
88.47753	1.1
88.99500	1.2
95.01321	7.5
97.02884	11.2
99.00793	5.4
99.04446	2.7
101.02384	8.4
103.03320	1.5
103.03926	7.3
103.07566	14.7
113.02357	18.0
131.03415	9.8
141.01822	20.9
142.02222	1.4
151.03883	1.7
159.02887	4.6
159.06578	2.5
159.10158	95.4
160.10492	4.1
162.50414	1.2
167.07054	1.5
169.04971	1.9
177.11218	11.4
187.06026	1.8
197.04414	2.0
201.11188	5.8
215.05576	7.2
243.08673	7.8
274.13516	1.1
299.11295	2.0
305.51453	1.2
313.01706	1.2
317.12329	15.3
318.12601	1.3
335.13333	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	335.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61458	0.7
55.05494	1.1
56.05019	1.3
58.99562	0.6
59.63388	0.5
67.05489	1.9
69.07040	0.8
69.88139	4.0
70.06551	0.7
78.39956	0.5
79.05483	1.2
81.07050	2.1
83.04964	0.9
84.08127	100.0
85.01117	0.9
85.02897	0.9
85.06509	0.6
85.08465	2.2
91.05447	1.2
93.07034	4.8
95.04999	1.0
95.08607	3.1
98.20743	0.9
101.04221	32.4
102.04591	0.8
104.98294	4.0
105.06976	3.2
106.07793	0.9
107.08572	1.5
110.07146	0.5
112.07565	0.8
114.09131	1.2
119.08546	0.6
120.08085	0.6
123.08021	1.1
124.07580	1.1
127.04897	1.0
127.05761	11.7
128.68161	0.6
129.10236	1.2
130.06569	1.4
130.08607	12.1
137.04195	2.3
138.04959	2.3
144.08041	1.1
145.10085	0.7
146.05959	1.1
147.11205	4.0
148.11229	0.6
155.05226	0.5
161.04509	32.4
162.04716	0.8
171.02937	6.7
172.30801	0.6
188.07068	1.5
189.03992	59.8
190.04279	1.9
242.11748	0.8
259.14392	1.6
272.11334	25.4
273.11691	1.4
284.82422	0.6
289.14011	2.5
312.41791	0.6
317.44397	0.6
335.14523	77.3
336.14722	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	335.0733
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
66.89264	2.6
69.81493	4.4
69.81905	12.2
78.62440	2.4
91.45741	2.1
98.97583	4.2
114.09147	23.7
127.19262	2.4
160.09698	9.2
161.02928	6.2
174.11229	10.9
176.09215	7.6
185.06578	3.7
200.02316	2.3
203.55145	2.2
212.97903	2.3
257.26761	2.8
293.10745	6.4
335.07355	100.0
335.11127	13.5
336.07559	5.1
336.16632	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	335.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01863	0.7
57.03411	2.0
59.04985	1.0
61.02898	2.8
65.03929	1.2
67.05488	1.6
69.03100	0.7
69.03426	8.7
71.04981	12.1
71.75089	0.8
73.02902	1.7
81.03410	24.6
82.04198	4.1
85.02892	21.0
85.06537	3.6
87.04433	2.0
89.06024	3.5
91.03927	1.4
95.04954	13.3
97.02875	7.1
97.06535	3.8
98.03667	3.5
98.97556	2.3
99.04446	3.9
103.20673	0.7
109.02167	0.9
109.02868	12.7
112.96476	0.6
113.05995	31.9
114.06412	0.8
116.98595	1.6
123.04427	4.8
125.06003	1.0
127.03912	6.4
127.07516	2.1
141.05447	31.6
142.05830	1.0
145.04987	3.2
155.07010	6.1
157.26022	0.7
158.99680	0.8
173.08075	100.0
174.08438	3.8
177.00688	2.4
183.19749	0.6
195.01714	1.8
219.02103	0.5
225.44762	0.6
235.01120	0.9
247.01224	0.9
265.02274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41264	2.0
56.96556	45.3
57.03414	4.0
61.02914	3.7
67.11681	1.9
69.03418	7.7
70.16832	10.9
70.98116	17.8
73.02895	2.7
73.87521	2.2
74.97591	3.6
79.35094	2.1
84.08113	4.3
84.96051	3.9
85.02883	12.2
86.09670	3.2
88.99155	16.9
97.02857	5.8
98.97564	44.1
101.00822	3.0
107.00185	3.9
110.97558	5.1
112.99121	4.1
113.03474	4.1
114.09149	27.3
116.98606	19.9
119.01898	12.1
127.03857	2.9
128.98592	18.5
130.08611	4.0
131.00156	2.5
131.01886	4.6
133.03452	5.3
134.99638	8.4
142.96458	2.8
143.01924	3.4
145.03442	11.8
146.99628	37.5
149.01245	3.3
149.02863	2.7
152.07045	2.5
155.01863	4.2
157.03436	4.3
158.99628	8.5
161.02922	5.0
165.00711	33.9
170.99646	3.8
172.97557	20.0
173.01242	2.1
173.02895	5.5
174.11215	38.5
174.99086	2.6
175.04619	2.7
176.92979	2.0
177.00688	10.2
183.01711	5.0
185.06587	2.7
189.00694	14.6
190.98607	32.7
191.02193	2.2
195.01692	4.5
203.04033	2.8
203.07600	2.4
205.00189	8.7
206.98045	3.1
207.01736	13.4
208.99597	6.6
214.98627	3.9
218.98099	8.3
219.01703	13.0
221.04984	3.6
223.01207	8.6
232.99641	25.0
235.01228	2.9
235.06633	3.4
236.99078	2.5
237.02783	16.3
238.06555	2.6
247.01302	3.5
251.00800	12.4
251.04352	4.5
253.07722	3.8
260.99228	5.2
265.02371	2.8
275.00732	13.9
289.05923	2.4
293.01685	13.1
293.05042	2.2
293.10861	5.7
295.07040	2.4
303.00217	5.7
303.05438	14.0
317.13080	2.9
321.01312	5.7
323.87384	2.1
335.07315	100.0
336.07681	4.0
336.16537	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	335.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
54.75473	0.7
55.01871	1.2
57.03418	2.2
60.04504	1.3
61.02914	4.9
61.69427	0.8
67.01840	1.5
67.05488	1.2
68.99788	6.8
69.03418	52.5
69.07059	1.2
69.89997	2.0
69.90407	4.9
70.03751	0.8
71.01344	1.4
71.04985	3.8
79.05488	1.5
81.03403	27.2
81.07057	1.3
85.02889	35.3
86.03221	1.0
87.00823	12.7
93.07050	1.8
95.08604	1.8
97.02884	15.2
98.21423	1.2
99.04445	10.9
103.03886	0.8
104.28066	0.9
105.01830	4.2
105.07032	1.5
105.42449	0.7
107.08546	1.2
109.02866	25.4
109.10162	1.6
119.08585	1.9
119.50586	0.8
123.11709	0.9
127.03896	100.0
128.04243	2.7
129.01822	8.2
129.06883	0.7
131.08531	1.0
133.10127	1.3
145.04918	3.7
147.02846	4.0
147.04410	1.7
147.11682	1.3
153.01778	1.0
155.08601	1.0
161.09721	0.8
169.04964	0.9
171.02826	1.6
189.03947	1.8
195.02846	1.0
213.03917	5.9
231.04976	8.6
242.50345	0.8
288.41742	0.8
299.03738	1.6
302.68835	0.8
308.47693	0.8
317.04749	1.9
335.27097	2.5
342.75421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	66.0
60.17104	0.9
70.17120	3.8
70.98109	29.0
74.97592	3.1
77.00906	0.9
81.34344	0.9
84.96019	2.1
85.02886	1.1
88.99146	13.7
98.97561	18.3
101.00849	2.1
101.23222	0.8
107.00131	4.4
110.97544	2.0
111.63392	0.9
112.99105	0.9
114.09194	1.1
116.98617	12.2
119.01896	7.2
120.80826	1.0
125.01243	1.3
127.49137	0.8
128.98561	10.0
130.08572	1.6
131.01849	4.3
131.05521	1.4
133.03444	1.2
134.99652	5.6
143.01863	9.8
145.01700	1.2
145.03456	1.8
146.99632	29.6
149.06639	2.4
151.03818	0.9
154.96477	7.0
155.01904	3.4
158.99706	0.9
161.02936	13.6
165.00693	23.2
172.97565	46.6
173.01405	1.9
173.02948	3.6
173.06602	5.5
177.00581	2.0
183.01781	2.0
184.04523	1.0
185.06644	3.3
186.99155	3.5
187.08174	1.3
188.97089	1.1
189.00697	2.6
190.98605	100.0
191.02245	7.4
191.99025	1.1
193.00232	1.2
200.97078	3.3
203.07629	3.0
205.00188	21.8
208.99661	17.9
209.03162	1.5
213.00668	1.7
214.00154	1.8
214.98618	8.1
215.04071	1.1
215.07654	2.0
218.98111	26.5
219.01640	1.8
221.05074	2.8
223.01208	21.3
231.01743	1.5
232.99663	72.9
234.00035	1.6
236.99147	10.7
237.02708	2.0
241.02332	1.2
247.01219	9.2
251.00719	40.2
252.00928	1.3
256.01291	2.8
257.08829	1.2
260.99200	2.9
265.02365	2.8
269.01770	3.2
274.97699	1.8
275.00702	35.8
275.09683	6.3
279.00494	1.1
288.09027	1.1
293.01743	48.5
293.10751	12.3
294.01984	1.4
311.02750	2.9
316.03369	2.0
335.11649	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	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56583	0.6
53.03936	0.8
55.01858	1.1
57.03413	1.6
57.39628	0.5
61.02911	2.8
62.39342	0.5
69.03424	4.9
69.41692	0.5
70.06591	0.6
70.73780	2.1
71.04971	1.1
73.02885	1.4
81.03392	2.2
81.07051	0.6
84.08114	1.0
85.02893	26.2
86.03210	0.6
86.09688	0.8
87.04465	0.8
91.03922	1.8
91.05473	8.9
97.02892	7.0
99.04430	1.0
106.94034	0.5
109.02870	2.4
109.06514	1.0
116.07058	0.6
119.04939	6.1
120.27372	0.5
127.03886	3.8
130.08600	1.9
131.04840	0.7
137.05959	100.0
138.06294	3.5
145.04927	6.9
151.07507	0.9
155.07019	11.7
163.05933	1.0
172.09642	1.6
179.06995	2.1
180.08653	5.5
203.10193	0.8
217.08524	0.6
221.08073	0.6
245.08139	0.9
263.09030	1.3
317.11322	1.4
325.53009	0.7
334.14862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
52.20387	1.5
53.03936	4.3
55.01868	4.1
55.05503	4.9
57.03439	8.5
57.07066	17.8
59.04755	1.4
59.04995	12.1
60.04501	2.7
61.02925	10.9
65.52319	1.7
67.05496	10.3
69.03426	29.7
69.07059	14.2
70.06577	3.8
71.04973	7.1
71.79382	4.1
73.02907	4.0
75.40166	2.1
78.11787	1.5
79.05477	2.0
81.03413	13.6
81.07031	4.2
83.04974	3.6
83.08627	2.9
84.08117	2.1
85.02898	83.5
85.06538	13.4
86.09687	11.1
87.04484	3.4
87.10014	3.0
91.03939	6.3
91.05473	3.4
93.07027	8.0
95.04948	3.3
95.07993	3.8
95.08603	68.8
97.02880	27.0
97.06497	8.0
98.98469	13.5
99.04440	6.6
99.08090	16.9
105.07047	3.3
107.08593	11.4
109.02865	11.3
109.06519	10.5
109.10143	20.5
111.04415	3.4
111.08082	11.6
111.11733	2.0
113.09636	92.2
115.03915	2.1
119.04930	2.5
119.08548	2.8
121.06490	3.1
127.03915	18.8
127.11182	49.0
135.11665	15.9
137.05940	13.2
137.09619	1.8
137.13210	5.8
145.04951	21.5
146.05995	2.9
147.04416	3.8
151.07510	3.2
152.74391	2.0
153.05412	4.1
153.12737	100.0
155.14273	13.4
156.08044	2.0
163.06094	2.1
167.07039	8.9
171.13791	66.9
173.12819	7.6
174.13210	5.4
177.12790	1.8
188.07059	4.3
195.13814	3.0
201.10165	4.6
201.12184	1.6
202.12773	3.8
203.07021	2.2
205.09721	2.4
213.14865	5.5
279.16071	1.8
298.58139	1.8
315.19882	2.1
333.10907	2.4
333.14929	1.7
333.19247	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	333.1902
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
50.12820	2.8
55.01845	8.2
55.05502	18.1
56.66737	3.0
57.03416	15.8
57.07057	18.4
59.04986	5.6
61.02908	5.8
67.05477	9.9
69.03410	18.1
69.07042	17.5
70.06586	5.5
71.01363	3.7
71.04982	28.7
71.30115	8.1
72.08129	12.2
73.02901	9.5
73.06537	4.3
77.60248	3.1
79.05475	15.9
81.03395	9.7
81.07040	33.3
83.08617	3.8
84.04485	3.6
84.08140	3.8
85.02892	61.5
86.09694	5.0
91.05463	16.6
93.07021	33.0
95.04953	9.4
95.08605	20.4
97.02877	17.9
97.06522	14.9
98.98434	19.8
105.07013	21.5
107.08575	32.0
109.02858	6.6
109.06507	13.9
109.10133	19.2
110.09662	4.0
111.08036	7.2
111.88335	3.7
114.09152	7.7
114.10281	6.2
115.03894	6.2
115.09461	4.1
117.06948	4.8
119.04890	4.4
119.08547	28.6
121.06448	4.7
121.10094	3.4
123.08041	7.1
125.09601	4.4
125.13213	4.1
127.03899	12.5
127.11202	5.5
131.08543	9.9
133.04939	16.4
133.06430	4.5
133.10100	4.7
135.11673	36.4
137.05960	7.3
137.13242	15.0
138.09119	6.0
139.07513	3.6
143.08546	5.7
145.04918	6.7
145.10106	9.8
147.04352	17.1
147.07982	8.7
147.11636	9.2
148.02843	3.6
151.07579	4.4
151.11098	5.4
153.05482	3.7
153.12718	100.0
154.12976	4.6
155.08557	3.6
155.14299	7.4
159.11661	6.6
161.12949	4.8
163.11156	5.8
165.12711	44.7
167.07047	3.9
170.11823	3.8
171.10184	4.3
171.11879	6.0
171.13765	11.8
173.09584	9.5
173.13190	7.7
174.11227	9.9
175.11317	4.4
177.12753	12.0
181.06499	3.5
183.11765	3.6
189.12704	9.5
207.13741	4.7
219.13823	8.9
230.52888	3.4
243.13776	7.4
261.14822	9.1
279.15768	10.0
297.16943	9.9
315.17838	21.4
333.10776	7.5
333.19577	17.5
333.69247	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.94437	2.9
53.03953	4.6
55.01854	13.6
55.05499	17.8
57.03428	38.7
57.07065	45.8
57.49907	2.8
61.02912	16.7
67.05501	20.1
69.03417	30.4
69.07058	28.3
70.06587	9.4
70.92047	8.1
71.04991	6.8
72.08149	7.8
73.02910	7.5
76.89989	3.2
79.05481	7.6
81.03403	13.4
81.07050	55.6
83.01337	2.8
83.04967	28.3
83.08606	14.3
84.04498	4.3
84.08115	3.9
85.02378	5.9
85.02893	100.0
85.06532	26.0
86.09720	3.5
87.04449	6.7
90.95893	2.8
91.02506	2.7
91.03950	8.6
91.05479	14.2
91.86773	2.9
92.05827	2.7
93.07052	12.0
95.04947	8.5
95.08595	13.2
96.01667	3.4
97.02864	30.5
97.06528	10.9
98.98463	23.4
99.04414	5.6
99.08076	56.3
105.07027	7.2
107.08586	8.0
109.02872	14.4
109.06477	15.6
109.10139	68.2
110.10465	3.0
111.04364	4.7
111.08077	16.4
114.10197	3.9
119.04886	5.5
120.08054	4.6
121.06486	9.6
121.10162	4.5
123.04451	5.1
127.03902	19.4
127.11171	74.4
131.08563	3.5
133.10123	4.2
135.08040	10.1
135.11705	4.1
137.05942	17.7
137.09630	4.4
137.13254	6.1
145.04951	25.0
145.10112	3.2
147.04411	9.2
149.05986	4.9
149.09598	4.0
151.11142	12.2
153.12724	63.9
155.14281	85.4
163.06061	6.5
167.07007	11.1
171.10213	4.2
171.13780	45.7
175.03918	4.4
176.98926	5.9
177.12712	6.6
195.13770	17.9
207.06618	8.0
217.09726	4.6
227.36218	3.2
253.14365	6.8
279.16125	3.2
315.09586	4.6
315.19498	5.1
333.10703	6.8
333.19205	10.0
333.69226	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01855	1.3
55.05499	2.4
65.03935	1.7
65.82243	1.1
67.05501	1.8
69.03416	3.5
69.07066	1.9
70.02666	7.3
70.80893	1.2
71.04994	1.4
79.05482	24.6
80.28643	1.3
81.07043	15.5
83.08555	1.2
88.03997	3.1
89.07142	1.5
91.05463	8.6
93.07023	12.7
95.04951	19.0
95.08588	3.5
97.02880	3.4
98.21372	1.7
98.98463	15.2
103.05451	80.0
103.08721	2.1
105.07011	11.5
107.01296	8.5
107.04939	44.3
107.08564	3.9
109.06499	1.7
109.10165	1.8
119.08604	4.3
121.02845	13.6
121.06493	15.9
121.10166	1.5
123.08047	17.0
125.02295	5.7
130.22693	1.2
131.04910	48.7
131.08597	1.8
133.10095	2.4
143.03363	1.5
145.10104	1.3
147.04420	1.4
147.11615	1.7
149.05954	100.0
150.06308	3.2
159.11710	1.3
163.14792	1.4
165.12347	2.1
167.07030	31.5
176.98926	2.5
181.09988	1.4
185.08134	4.9
187.12622	1.3
189.16556	1.2
203.07016	1.3
204.06766	1.1
205.11311	1.2
213.23244	1.7
216.03250	1.2
235.44916	1.1
242.24887	1.4
268.03174	1.2
287.76157	1.3
298.77594	1.1
315.19629	2.0
315.23013	1.4
320.25055	1.1
333.13190	1.5
333.20526	1.5
333.27478	2.2
333.31006	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	332.1338
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.12946	0.4
53.03939	0.6
53.97596	0.3
56.96541	1.3
57.03424	1.5
61.02914	2.2
65.03937	0.8
67.05489	2.2
69.03417	6.6
69.94881	2.6
71.01325	0.5
71.04980	0.7
73.02904	2.1
79.05472	0.6
81.03407	1.9
81.07053	0.6
83.86629	0.5
85.02886	8.0
87.04449	1.2
89.45138	0.4
91.82984	0.4
93.05808	0.7
96.08091	0.8
97.02888	4.1
98.97598	0.4
99.04446	0.8
104.01311	0.4
106.06532	4.9
108.08102	100.0
109.02854	1.6
109.08423	1.2
119.01855	0.4
123.06804	4.0
124.07570	14.7
126.95480	0.4
127.03912	1.5
134.05992	11.4
136.07556	13.2
137.08374	0.6
145.04959	0.6
146.99591	0.4
148.03806	0.4
152.07045	71.1
153.07355	1.2
154.08614	1.6
161.04503	0.5
165.00717	0.6
170.05154	0.6
170.08101	6.9
181.55765	0.4
184.33870	0.5
227.83122	0.5
314.12302	38.8
315.12692	0.9
332.13354	73.4
333.13608	1.8
339.15601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
55.05492	1.1
56.05016	0.4
57.03432	0.5
58.06310	0.3
58.06591	4.1
58.11081	0.2
59.05004	0.3
59.06927	0.8
60.04511	0.3
61.02903	0.2
66.01781	0.2
67.05482	0.5
67.54455	0.3
68.05016	0.8
69.03418	1.1
69.07051	0.7
70.06579	1.9
70.49323	0.3
71.04991	0.5
71.78940	0.5
72.08148	3.5
73.02892	0.3
73.06516	0.2
74.06046	0.3
75.76132	0.2
76.03970	0.2
79.05487	0.9
80.05019	0.5
81.03392	0.6
81.05775	1.1
81.07035	0.7
84.04492	0.8
84.08128	2.7
85.02899	1.6
86.09688	3.7
87.04406	0.2
91.05459	0.7
93.07021	0.5
94.06550	2.4
95.04959	0.4
96.08122	4.4
97.02869	0.7
97.06544	0.3
98.98453	9.6
100.98870	0.4
102.05491	0.4
104.07059	0.3
105.07001	0.3
107.04938	4.8
108.08102	1.0
109.02853	0.7
109.06506	0.3
110.07143	0.4
111.09206	1.0
112.07571	0.3
114.09153	100.0
115.09470	1.4
116.07058	0.3
116.99518	0.4
119.04884	0.3
120.08076	0.6
121.06472	0.5
123.04399	0.7
123.05554	0.2
124.04801	0.3
124.07569	0.9
125.04971	0.2
125.05949	0.4
127.03902	0.5
128.07071	0.5
129.10201	0.3
130.06549	0.4
135.04379	1.9
136.07674	0.4
137.05948	1.7
139.08658	0.5
140.03287	0.2
140.07033	0.3
141.55190	0.2
142.08702	0.3
143.04900	0.3
145.02774	0.4
145.04977	0.3
146.06018	0.5
147.04427	0.5
147.08064	0.3
149.05966	0.6
151.03886	0.3
152.07053	0.7
153.05457	4.2
156.10184	0.4
157.13362	0.6
167.07057	1.5
167.08325	0.4
170.08176	0.4
170.11668	0.5
170.15469	0.4
174.11238	31.9
175.11595	0.8
176.07927	0.3
176.98921	0.9
177.05470	0.6
181.06358	0.3
186.03928	0.7
193.08566	0.3
195.08089	0.4
197.07123	0.7
199.18015	0.4
203.13849	0.3
213.08963	0.3
223.07527	0.8
224.72424	0.2
227.17494	0.3
229.11740	0.3
231.06598	0.4
240.10245	0.5
243.07739	0.4
247.10785	1.1
251.07065	0.3
268.09698	0.5
269.08887	0.3
286.11197	0.3
301.10764	0.5
304.16492	1.5
305.78128	0.3
314.13699	0.4
314.17172	0.3
315.09668	0.7
315.14023	0.7
332.12592	1.5
332.17624	3.4
332.20673	61.7
333.10678	0.7
333.14178	0.5
333.21115	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2837
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05304	1.0
55.05500	10.9
56.77132	1.0
57.03421	5.8
57.07066	100.0
58.07375	1.7
65.17641	1.1
67.05172	1.8
67.05496	20.6
69.07056	16.2
70.06570	3.9
71.03658	2.8
71.03994	2.5
71.06917	1.2
71.08620	67.7
75.04457	3.3
79.05492	1.4
81.06593	2.4
81.07043	33.2
83.08607	24.9
85.06511	1.3
85.10167	33.5
88.07603	5.2
88.90014	1.3
89.06000	1.8
89.07963	1.4
90.53934	1.2
93.06979	1.2
95.08590	49.8
97.10162	14.4
98.98448	60.7
99.11720	2.4
100.98868	2.2
103.07565	1.3
106.08649	3.0
109.10138	22.3
111.11715	3.4
116.99527	1.3
119.08551	1.4
119.38048	1.1
121.10080	1.5
123.11672	12.3
125.13225	1.6
137.13237	5.0
151.14801	2.1
174.99229	2.3
176.98936	4.5
180.98427	1.3
211.85516	1.1
221.22583	2.4
239.23657	29.4
240.23987	1.4
257.24628	6.7
313.27338	75.4
313.33075	3.8
314.27563	4.9
331.33942	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
65.03944	2.4
71.16440	5.0
79.05472	2.5
81.07035	2.2
91.05482	25.0
94.04169	2.4
95.04960	6.7
98.98455	15.6
102.10709	1.6
103.05455	6.2
105.07001	5.3
107.04946	7.5
109.06497	4.5
111.04462	1.8
115.05462	2.8
117.07008	2.1
119.04934	18.9
121.06472	5.1
122.03642	5.9
123.08038	1.7
128.06215	5.1
129.06992	13.6
131.04895	4.7
131.08528	2.5
133.06490	2.4
135.08035	5.7
136.05193	5.2
137.05972	76.5
138.06346	2.0
145.06497	3.0
146.07242	1.8
148.05203	2.5
149.05965	14.5
151.07535	100.0
152.06259	4.5
152.07870	2.5
153.06963	2.7
157.06477	15.2
161.05981	11.9
161.09612	4.0
162.06729	1.8
163.07524	23.3
165.07018	11.7
165.09053	5.9
166.07848	1.7
167.08534	16.6
174.06744	6.4
175.07471	5.7
176.08429	1.6
177.09102	3.3
178.07738	4.3
180.11153	1.5
181.06506	4.5
182.07242	2.6
189.09102	35.3
192.09369	1.7
193.06427	7.6
193.10138	4.9
194.07228	2.2
195.08043	26.5
196.08472	2.2
197.05960	4.9
197.09526	2.1
203.08543	3.4
206.07178	1.7
207.10185	6.6
209.05975	2.2
209.09613	4.2
210.06715	8.1
211.07549	3.4
212.08246	3.8
219.08034	2.4
221.06038	10.8
221.09644	10.0
222.06532	2.1
223.07471	11.5
224.08221	4.3
225.05569	2.0
225.09090	10.6
227.07138	3.3
227.10652	31.2
228.11070	2.7
237.09117	3.7
238.06250	4.3
238.10159	1.7
239.06918	2.0
240.07776	4.3
241.08669	1.9
249.09134	7.7
252.07744	2.3
253.08514	15.8
253.12157	17.6
254.09074	1.8
255.10153	32.2
257.08035	2.0
267.10153	8.0
269.08051	3.8
269.11758	1.7
270.08783	1.9
272.10614	2.9
281.11743	6.5
285.11237	21.3
287.12762	59.6
299.12674	1.9
301.14352	2.2
313.14285	16.7
331.15466	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	331.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88794	2.0
54.21513	1.7
54.94785	2.4
55.05508	10.1
57.03426	5.8
57.07067	100.0
64.50901	1.8
67.05496	26.2
69.07057	16.1
70.06591	1.9
71.08622	69.4
71.09012	4.4
75.04463	2.1
77.50753	1.9
79.05492	2.6
81.07048	38.1
83.08605	28.0
85.10167	32.1
88.07626	6.4
89.05997	2.3
93.07035	2.5
95.08592	54.8
97.10153	14.3
98.20683	7.0
98.98452	86.4
99.11755	2.7
102.09178	2.3
103.07574	1.9
106.08636	1.7
107.08562	2.9
109.10149	28.1
109.41451	1.8
109.91637	1.8
111.11738	3.4
116.99495	3.5
121.10123	3.0
123.11680	12.5
125.13260	3.1
137.13243	6.4
139.14815	2.0
151.13290	2.1
151.14703	2.8
161.13223	2.1
174.99289	1.9
176.98868	9.8
221.22693	3.2
239.23662	33.5
250.61185	1.7
252.99641	2.4
254.99339	2.5
257.24731	7.8
272.24686	2.6
310.21582	1.8
313.27328	75.2
313.33032	4.3
327.14774	1.7
331.28149	2.2
331.33942	56.7
338.05670	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05498	1.4
59.77954	0.8
63.47034	0.9
65.03925	1.8
70.81261	1.7
70.81666	1.5
71.04963	1.2
71.71006	1.1
79.05474	4.0
81.03405	1.1
81.07055	5.2
82.56599	1.0
83.04965	1.9
85.06532	1.2
91.05464	26.2
93.07008	2.2
94.04180	3.1
95.04963	6.7
95.08615	1.2
97.06535	1.2
98.98456	71.8
100.01680	1.0
100.98912	1.0
103.05453	4.2
103.90070	1.0
105.07054	4.6
107.04950	6.7
107.08576	1.3
107.58151	0.9
109.02846	1.1
109.06503	5.0
109.10168	1.1
111.04409	1.3
114.45406	1.0
115.05434	1.7
116.99483	1.8
117.03426	1.4
117.06997	2.1
119.04933	16.5
119.08580	1.2
121.06491	6.6
121.10197	1.0
122.03623	7.6
123.08009	1.2
128.06200	5.3
129.06993	15.7
131.04921	4.4
131.08556	1.7
133.06477	2.9
133.10147	1.7
135.04422	1.0
135.08038	6.2
135.11682	1.5
136.05185	3.5
137.05965	74.7
138.06349	1.5
139.07495	1.0
143.04895	1.2
145.06506	3.3
146.03615	1.9
147.04375	1.4
149.05956	13.0
151.03955	5.1
151.07530	100.0
152.06210	4.1
152.07860	2.0
153.06943	2.1
154.07716	1.1
157.06480	11.7
157.65736	1.0
158.07285	1.1
159.08044	1.4
161.05977	13.2
161.09612	2.7
162.06741	1.6
163.07523	21.3
165.06996	11.4
165.09042	5.2
166.07764	2.7
167.07123	1.4
167.08524	17.2
169.06465	1.6
174.06772	6.6
174.99214	4.2
175.07545	4.5
176.98865	6.8
177.05577	1.3
177.07022	2.9
177.09088	2.7
178.07759	6.5
179.08568	2.5
181.05090	1.0
181.06476	4.1
181.10025	1.6
182.07269	5.0
183.08066	1.3
184.08868	2.4
187.07579	1.4
189.09084	32.6
190.09402	1.3
192.09357	1.7
193.06395	8.3
193.10143	6.0
194.07338	3.0
195.05476	1.5
195.08034	23.1
196.08783	1.8
197.05887	4.7
197.09550	1.6
199.07426	1.1
202.07849	1.6
203.08598	2.2
205.06488	1.9
206.07214	1.5
207.08292	1.0
207.10109	5.3
209.05937	3.3
209.09618	2.6
210.06691	8.8
211.07556	3.6
212.08308	3.9
213.06650	1.6
213.08998	2.0
219.07831	1.3
220.08707	1.1
221.05920	9.0
221.09543	12.8
223.07513	11.9
224.08292	4.1
225.05656	1.0
225.06821	1.5
225.09032	11.5
227.07100	2.6
227.10623	31.0
227.12816	1.9
231.07996	1.3
234.06763	1.2
237.05280	1.3
237.09155	3.7
238.06212	4.4
238.09879	1.9
239.07091	1.5
239.10652	1.5
240.07837	2.9
241.08426	1.3
241.12225	1.2
249.06810	1.1
249.09131	4.3
252.07887	1.8
253.08600	15.0
253.12228	16.5
254.09259	1.4
254.99306	1.3
255.06325	2.0
255.07126	1.8
255.10126	31.3
256.10837	2.1
257.08038	1.6
266.09375	2.1
267.07669	1.4
267.10068	5.3
269.08051	5.9
269.11682	1.7
270.08597	2.5
271.06973	2.0
271.09613	1.5
272.10403	3.8
281.11697	6.1
284.10352	1.5
285.08496	2.6
285.11243	17.5
287.12756	53.0
288.12997	1.3
295.07059	2.1
298.12274	1.4
299.12656	2.3
301.14386	3.2
313.08224	9.2
313.14288	14.4
316.08972	4.3
331.08728	3.2
331.11554	7.5
331.15448	10.0
331.19308	1.9
352.08221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01868	1.9
55.05514	1.2
57.03428	1.2
59.04980	1.2
60.04518	1.4
64.96542	0.8
65.03932	1.6
65.80723	0.7
66.51074	0.9
67.05499	2.7
69.03414	1.8
69.07050	1.4
69.51660	7.9
69.52068	1.4
72.08156	1.0
79.05479	3.3
81.07061	4.4
83.04977	1.4
84.08132	1.1
85.02892	2.5
91.05473	26.4
93.07027	1.8
94.04184	3.3
95.04953	6.8
95.08611	2.4
98.20622	1.5
98.98460	51.1
103.05489	4.8
105.07028	4.5
107.04942	6.9
107.08582	2.8
109.06493	5.7
109.10127	2.4
111.04442	1.4
111.08075	4.0
115.05428	2.2
116.06203	1.1
116.99483	1.0
117.06999	2.4
119.04926	17.3
119.08534	0.9
121.06525	6.8
122.03622	7.4
123.04425	2.2
123.08072	2.7
123.11710	4.1
125.09722	0.8
128.06215	3.3
129.06993	15.3
131.04918	6.2
131.08528	1.6
133.06491	3.0
135.07993	6.7
136.05197	3.8
137.05966	87.0
138.06331	1.9
140.04958	1.2
143.04893	1.7
145.06482	4.9
146.03659	1.3
147.04411	0.9
147.07962	1.9
148.05254	0.9
149.05972	15.7
150.06696	1.1
151.03915	3.4
151.07526	100.0
151.11072	1.9
152.06189	3.6
152.07890	1.4
155.06027	1.5
157.06477	12.0
160.05022	1.4
161.05960	16.5
161.09608	4.1
162.06790	1.3
163.07524	23.8
165.06973	12.4
165.09091	4.7
166.06483	1.0
166.07758	2.2
167.08546	16.5
169.06400	2.2
169.07632	2.3
169.12202	10.3
174.06805	5.8
174.99263	2.5
175.07515	4.7
176.98941	7.2
177.09082	3.8
178.07686	5.7
179.06055	2.4
179.08521	2.0
181.06470	3.8
181.10121	1.6
182.07249	4.0
183.05519	2.2
183.07933	2.1
184.08856	1.6
185.07082	2.2
187.07513	1.7
189.09093	37.3
190.09503	1.0
191.08548	1.5
192.09303	1.8
193.06360	7.8
193.10136	10.2
194.07275	4.0
195.05440	4.4
195.08038	23.8
197.05731	4.7
197.09607	1.6
198.06659	1.2
199.07549	1.1
199.11143	1.3
202.07808	1.5
203.08614	2.2
205.06454	1.7
206.07231	1.7
207.08051	2.9
207.10170	8.1
208.05299	0.9
209.05774	3.2
209.09550	4.3
210.06763	10.5
211.07527	3.8
212.08311	5.3
213.06555	2.5
213.08873	1.0
219.08057	1.9
220.08720	1.7
221.05809	10.6
221.09518	13.4
223.07521	12.6
224.08345	4.7
225.06662	2.7
225.09029	12.3
227.06985	3.4
227.10652	29.4
229.06119	3.5
231.08252	1.1
234.06720	1.9
235.07599	1.2
237.05292	1.3
237.08948	4.3
238.06207	8.2
238.09949	1.7
239.07005	2.7
239.10464	1.6
240.07799	4.3
241.08540	2.6
241.12241	2.0
249.06726	1.8
249.09108	6.8
251.10725	1.4
252.07918	2.0
252.99773	1.9
253.06079	1.9
253.08611	17.8
253.12230	18.0
254.09259	1.3
255.06201	1.4
255.10143	30.9
256.10599	1.6
256.56772	0.9
262.98676	1.0
266.09555	1.4
267.07489	2.6
267.10196	6.0
269.05481	1.4
269.08087	8.1
269.11655	3.6
270.08685	4.0
271.07098	5.0
271.09717	1.5
272.10562	4.2
277.06073	1.6
281.11667	9.5
284.10364	2.2
285.08578	9.8
285.11221	23.3
286.11536	1.4
287.12753	60.0
288.13034	1.5
295.07175	5.8
298.12012	1.1
299.09167	1.7
299.12625	2.0
301.14169	1.9
313.08212	20.7
313.14230	17.8
314.08368	1.6
316.08835	4.5
331.09216	12.1
331.11896	5.6
331.14935	13.8
331.26736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03940	1.0
55.01847	1.0
55.05494	1.7
60.67529	0.9
65.03923	1.5
69.55603	7.8
70.06571	1.0
72.08145	2.0
79.05477	3.2
79.51096	1.0
81.07032	2.9
83.04980	1.3
86.09681	1.6
87.98404	0.9
91.05468	22.2
93.07005	1.1
93.48059	1.0
94.04150	2.6
95.04943	5.3
95.08591	1.0
95.42377	1.3
97.02895	1.4
98.21441	2.1
98.98451	38.0
100.98865	1.4
103.05455	9.8
105.06997	4.3
106.60732	0.9
107.04942	5.6
109.06504	4.0
109.10124	1.5
111.04418	1.0
111.08027	1.1
112.32967	1.0
115.05448	3.4
116.99491	1.2
117.06984	4.9
119.04926	12.4
121.02872	1.0
121.06496	6.4
122.03642	7.5
123.04404	1.8
123.11710	1.5
124.07560	1.3
128.06190	2.3
129.06979	9.5
131.04921	15.3
131.08517	1.0
133.06462	2.2
135.04320	2.4
135.08031	6.4
136.05167	2.3
137.05957	100.0
138.06334	1.1
143.04956	1.0
143.08463	1.7
145.06438	2.8
147.04382	1.5
147.08014	1.3
149.05971	10.9
150.06792	1.1
151.03868	3.0
151.07521	69.1
152.06187	2.5
157.06488	8.1
161.05959	19.2
161.09608	7.5
161.86354	0.9
163.07520	93.9
164.07907	0.9
165.07014	7.3
165.09106	3.0
166.07814	1.0
167.07149	1.4
167.08522	9.7
169.06453	1.7
169.12250	4.4
171.08020	1.6
174.06779	6.4
174.99155	2.2
175.07520	3.8
176.98930	4.4
177.09013	2.4
178.07758	3.9
179.08488	1.2
181.06442	3.7
181.08551	1.6
182.07245	4.2
183.08015	0.9
189.09082	46.4
193.04932	2.1
193.06473	6.8
193.10193	6.6
194.07155	2.5
195.08049	16.4
196.08795	1.2
197.05925	3.1
197.09526	1.9
203.08617	1.4
206.07265	1.7
207.08278	1.5
207.10164	11.5
209.05930	2.1
209.09592	3.0
210.06755	5.4
210.10191	1.1
211.07469	3.5
212.08290	4.2
219.08165	1.2
221.05988	7.8
221.09544	6.5
223.07498	7.6
224.08235	4.2
225.05434	1.9
225.09044	8.9
227.10603	18.4
234.06731	1.2
235.07622	1.3
237.09000	1.8
238.06198	3.7
238.09753	1.6
239.06953	1.9
239.10703	1.4
240.07726	2.5
241.08588	1.3
241.12199	2.3
249.09074	4.5
252.07719	2.0
253.08595	10.7
253.12244	11.3
254.08990	1.5
255.06224	1.8
255.10115	19.0
263.10379	1.1
267.10138	4.2
269.08096	3.0
269.11539	1.2
270.08783	1.9
272.10388	3.4
281.11801	4.7
285.11169	18.5
287.12720	35.4
299.12650	1.2
313.14252	12.8
324.91440	0.9
331.11923	2.1
331.15524	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	331.1533
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.48306	0.8
55.01861	2.2
55.05494	1.4
65.03941	1.4
67.05491	2.0
69.03407	1.1
69.07038	1.1
70.06580	1.5
71.04953	0.9
71.79665	1.0
71.80031	1.0
72.08170	0.9
79.05473	4.2
81.03382	0.8
81.06622	0.9
81.07038	6.5
83.04961	2.1
83.08637	1.0
85.02895	0.9
85.06514	1.0
86.00646	0.8
89.55282	0.8
91.05462	21.4
93.07033	2.0
94.04162	2.2
95.04955	4.3
95.08562	1.6
97.06502	1.4
98.98450	100.0
100.98883	2.1
103.05451	4.1
105.07005	6.0
107.04957	5.1
107.08601	1.2
109.02895	0.9
109.06505	4.3
109.10128	2.4
111.04425	1.8
115.05395	0.9
116.99474	4.5
117.07019	2.1
119.04923	12.8
119.08569	1.8
121.06484	5.0
121.10105	1.8
122.03625	5.2
123.04417	1.3
123.08020	1.0
123.11723	1.7
128.06221	2.9
129.06966	11.1
131.04909	4.8
131.08533	1.9
133.06451	1.8
133.10100	1.2
135.04404	1.1
135.08044	3.1
136.05188	2.5
137.05954	55.0
141.06941	1.1
145.06485	2.7
145.10091	1.7
146.07234	1.0
147.04405	1.2
147.11600	1.1
149.05963	10.0
151.03912	3.4
151.07515	65.5
152.06143	2.0
154.07758	1.2
155.05981	1.0
156.08316	0.9
157.06470	8.4
159.08046	0.9
160.05135	1.0
161.05969	7.1
161.09554	3.0
163.07513	15.4
164.07942	0.8
165.06979	10.2
165.09094	3.8
166.07784	1.7
167.07149	1.2
167.08505	13.3
169.06390	2.1
174.06757	4.1
174.99196	4.0
175.07544	4.7
176.98886	10.8
177.05455	1.0
177.06935	1.2
177.09065	2.4
178.07758	3.4
179.08559	1.6
181.06435	3.0
181.10048	1.1
182.07199	2.7
183.08031	1.6
187.07610	1.4
189.09079	24.6
192.09335	1.2
193.06450	5.9
193.10117	5.7
194.07245	1.7
195.08031	19.2
196.08760	1.0
197.05904	4.3
198.06752	1.2
203.06886	1.2
203.08615	1.5
205.06543	1.3
206.07240	1.6
207.08208	1.5
207.10139	4.4
209.05927	2.3
209.09578	3.0
210.06757	7.7
211.07497	3.9
212.08253	3.8
221.05954	6.2
221.09526	7.2
223.07468	8.5
224.08330	4.0
225.05530	1.2
225.09041	6.4
227.06970	2.5
227.10638	19.8
229.08531	1.1
231.08208	1.4
237.09108	2.3
238.06187	4.8
239.06831	1.7
240.07765	3.0
241.08546	1.8
249.08986	3.9
252.07773	1.2
253.08600	8.6
253.12169	11.4
255.06276	1.0
255.07199	1.1
255.10124	23.2
256.10605	1.5
267.10172	3.9
269.08105	3.2
270.08759	1.7
271.09454	2.3
272.10287	2.7
281.11649	5.0
285.08386	1.3
285.11218	13.6
287.12726	40.9
288.12943	1.2
290.10159	1.3
298.11722	1.1
299.09167	1.4
299.12616	1.2
301.14279	1.7
313.08072	3.4
313.14297	14.0
331.08173	1.2
331.11655	5.8
331.14935	5.8
331.22485	0.9
331.26251	2.3
332.11353	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1017
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
53.03920	0.4
55.01847	0.4
55.05493	0.4
56.04962	0.2
57.03432	0.3
57.07049	0.4
58.06570	0.3
67.01836	0.8
67.05484	0.5
67.59422	0.3
67.67786	0.2
69.03421	1.1
69.07035	0.5
70.06580	1.2
70.51493	0.2
71.04992	0.3
71.79266	0.3
72.08141	3.4
73.08458	0.8
76.33481	0.2
79.05473	0.6
80.29435	0.2
81.03390	0.8
81.07017	0.5
83.04945	0.3
84.08113	0.8
85.02882	2.1
86.09682	1.3
87.08093	0.3
91.05486	1.1
93.07006	0.6
94.06521	0.3
95.04956	1.6
95.08611	0.3
97.02860	1.0
97.06522	0.3
98.98447	24.9
99.04363	0.3
103.05434	0.8
105.06998	0.7
107.04929	1.0
109.02898	0.3
109.06524	0.3
109.10133	0.5
110.06043	0.3
112.90508	0.3
114.05486	0.3
115.03990	0.2
115.05449	0.7
116.05773	0.4
116.99517	0.7
119.04878	0.5
120.08098	0.4
121.06456	0.7
122.02749	0.3
122.03601	0.5
122.06036	0.4
123.04414	6.7
123.11699	0.3
124.07575	1.1
127.03898	3.2
129.06949	0.4
131.04884	0.8
135.04358	0.4
135.07962	0.4
137.05959	7.3
138.05379	0.3
138.06293	2.6
140.07040	1.0
143.04900	1.4
144.05287	1.3
145.04950	0.5
146.05940	0.4
147.04387	0.5
149.05959	0.7
150.06720	0.6
151.03879	14.7
151.07504	2.6
151.11203	0.6
152.04222	0.5
152.07898	0.4
157.06473	0.3
159.08051	0.3
161.05881	1.1
163.03793	0.3
163.07521	3.5
165.05484	0.6
165.06984	0.7
167.07109	0.3
167.08492	0.8
169.04930	100.0
170.05246	3.6
171.14896	0.6
172.03903	1.0
172.15190	0.7
174.99170	1.1
175.07477	1.1
176.07892	1.3
176.98901	2.5
177.02208	0.3
177.07843	0.9
178.08113	1.1
179.08621	0.3
181.06471	0.6
189.09094	1.4
190.04976	3.9
192.06602	0.5
192.10176	6.1
193.10507	9.1
195.08064	0.7
199.14362	0.4
200.14758	0.6
207.06427	0.3
207.10120	0.3
208.08379	0.4
210.06682	0.3
211.07526	0.5
211.88789	0.3
216.10080	0.3
221.05931	0.4
221.09645	0.3
223.07486	0.4
225.09003	0.4
227.06807	0.3
227.10591	0.8
236.07985	0.4
238.06116	0.3
243.10025	0.3
252.99771	0.6
253.08490	0.8
253.12245	0.4
254.99501	0.4
255.10098	0.7
267.10141	0.4
268.10181	0.3
271.09680	0.4
285.11075	0.7
287.12717	1.1
299.09363	0.3
300.13098	0.8
301.10706	0.5
303.12238	0.3
313.10806	0.5
313.14240	0.5
314.19666	0.5
316.08932	0.3
331.11679	1.9
331.17267	10.2
332.12134	0.3
332.17236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05499	8.8
56.96555	3.7
57.03419	2.5
57.07059	4.5
65.03925	1.3
66.31708	0.9
67.05495	18.2
69.07059	13.0
70.06595	1.1
70.14448	5.5
71.04984	3.5
71.08620	6.2
79.05481	11.7
81.03402	2.3
81.06591	1.4
81.07043	16.5
83.04951	4.6
83.08603	4.1
85.06498	1.6
85.10167	6.0
87.04462	1.6
91.05466	8.6
93.07027	15.3
95.04943	3.2
95.08591	22.9
95.09187	1.4
97.06519	3.9
97.10160	3.8
97.99177	2.1
98.98453	100.0
99.08089	2.9
100.98878	2.1
105.07008	6.3
107.08569	7.2
107.98628	1.0
109.06501	1.5
109.10126	6.2
111.11733	1.0
113.09626	9.1
116.00188	1.3
116.99517	3.6
117.07000	2.5
119.04836	0.9
119.08581	4.7
121.10124	16.0
123.08064	1.8
123.11708	3.0
125.09620	2.2
129.06992	1.0
131.08557	4.2
133.10100	5.1
135.11694	3.9
139.11145	7.1
140.01082	1.8
143.08498	1.5
145.10123	1.6
147.11656	4.6
149.09601	3.7
149.13234	3.1
151.11172	2.2
153.12665	1.0
155.10669	1.9
157.10069	1.7
157.12233	1.7
161.13243	3.1
163.11162	2.3
163.14867	1.1
165.12700	4.8
167.10690	3.2
169.12254	1.6
173.13307	1.1
174.99167	7.0
175.11098	1.6
175.14871	1.2
175.99559	1.0
176.98900	8.1
179.14380	1.0
183.13718	1.4
185.11736	3.3
185.13213	1.3
189.11211	3.0
193.12300	1.7
203.12741	3.3
207.13937	1.2
207.52441	0.9
211.13258	4.2
221.55487	1.0
252.99663	1.9
259.20544	2.5
277.21576	12.4
295.22589	8.5
330.21069	1.2
330.25302	1.3
330.29980	2.7
330.33609	6.0
331.18805	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52611	0.2
55.01887	0.3
55.05505	6.4
56.05020	0.3
57.03421	0.6
57.05808	0.7
57.07058	0.2
58.06310	0.4
58.06594	7.9
67.05486	0.3
68.95032	0.2
69.03423	0.8
69.07065	0.7
70.06580	1.9
71.04984	0.5
71.79463	0.3
72.08145	100.0
73.08482	2.0
76.02211	0.3
79.05470	0.5
81.03410	0.5
81.07029	0.3
83.04978	0.4
84.04496	0.3
84.08132	1.1
85.02891	0.4
85.06511	0.4
86.09695	7.3
87.04449	0.4
87.10050	0.3
88.03989	1.0
91.05463	1.5
93.07027	0.5
95.04968	0.7
95.08604	0.4
95.59081	0.2
97.06506	0.3
98.98457	28.0
99.04431	0.4
100.07566	0.3
100.98891	0.6
103.05459	0.3
105.07008	0.6
107.04929	0.6
107.08527	0.3
109.02868	0.5
109.06515	0.8
109.10149	0.4
114.05495	0.4
115.05437	2.1
115.37883	0.2
116.07071	0.6
116.99509	0.8
119.04935	0.7
119.08526	0.4
120.08105	0.4
121.06484	0.7
122.10403	0.3
123.04426	9.2
123.08019	0.3
127.03909	0.6
129.06975	0.5
129.10202	0.6
131.04926	0.5
132.10168	1.8
133.06447	0.4
133.10077	0.3
135.08031	0.5
137.05963	6.4
140.07019	0.4
143.04901	4.0
144.05301	0.3
145.06476	0.5
147.04424	0.4
149.05972	1.2
150.06703	0.3
151.03874	1.1
151.07504	2.8
151.08604	0.4
151.11130	0.6
157.06479	0.4
157.13298	0.3
160.05104	0.5
161.05942	1.5
161.09654	0.3
163.03873	0.4
163.07565	1.4
164.06979	0.3
165.05504	0.3
165.06885	0.4
167.08614	0.5
168.06581	0.6
169.04953	4.0
169.12193	0.8
171.14908	38.3
172.15282	1.8
174.99197	2.2
175.07520	3.3
176.07985	0.3
176.98906	2.9
177.05521	0.4
177.07776	0.5
178.12218	0.4
179.08569	0.6
181.06396	0.5
182.53401	0.3
183.07985	0.3
185.16495	1.7
189.09082	1.2
192.10162	3.9
193.04930	0.3
194.11688	0.3
194.33417	0.3
195.08051	0.4
199.14404	27.2
200.14854	1.2
206.11737	0.5
207.08078	0.7
208.05150	0.8
209.06052	0.3
211.07526	0.6
213.16017	1.3
217.15578	0.4
219.73579	0.3
223.07578	0.4
225.05200	0.3
225.09047	1.1
227.10638	0.7
231.17006	4.6
234.11252	0.3
235.07510	0.7
238.06345	0.3
239.07039	0.5
252.12325	0.6
252.99747	0.5
253.08594	0.8
255.10249	0.5
267.09985	0.4
269.08026	0.8
271.09583	0.3
285.11292	1.7
287.12732	1.9
312.09396	0.4
312.13052	0.5
313.03333	0.3
313.14395	0.5
315.08575	2.0
330.11340	1.7
330.16956	28.5
331.11823	1.5
331.17346	3.5
340.22675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1694
Annotation	Protosinomenine
Peak:m/z	Relative Intensity
53.39875	0.3
53.90536	0.3
55.05486	0.3
58.06593	26.7
59.06934	0.3
68.29236	0.3
69.07053	0.5
69.69522	0.3
69.70300	1.7
69.70720	0.8
70.06578	1.7
72.08140	2.0
81.03378	0.3
81.07058	0.4
84.08121	0.6
86.09680	2.1
91.05470	2.0
94.06539	0.4
95.04969	0.6
98.98454	14.2
100.98864	0.4
105.06982	0.5
107.04940	0.6
107.27776	0.3
109.06461	0.5
115.05447	7.7
117.06986	0.9
119.04922	1.0
121.06516	0.8
123.04411	30.2
124.04727	0.8
124.07557	0.9
128.64055	0.3
129.06995	0.5
131.04924	1.0
133.06461	1.0
135.04398	0.6
137.05959	10.5
138.06252	0.6
140.07086	0.3
143.04903	12.3
144.05260	0.4
145.06474	1.1
147.04346	0.6
149.05954	0.7
151.03893	0.4
151.07529	3.0
157.06407	0.3
160.05151	1.1
161.05977	2.9
162.06560	0.4
163.07520	1.3
165.09044	0.5
169.04883	0.4
174.99193	0.7
175.07518	8.7
176.10719	0.8
176.98918	1.2
177.09097	0.9
178.08549	1.1
179.08559	1.2
181.06503	0.4
189.09061	0.8
190.04994	0.5
192.10199	4.0
193.10873	1.4
194.11752	1.6
195.07982	0.4
206.11697	1.1
207.08014	1.7
209.09532	0.5
221.06087	0.4
225.09015	2.2
227.10617	1.0
235.07471	1.4
239.10577	0.6
253.08600	1.7
254.09061	0.3
255.06535	0.5
255.10124	0.7
267.10129	1.2
270.08878	0.4
278.55157	0.3
281.92331	0.3
285.08313	0.6
285.11188	6.5
286.11609	0.4
287.12744	2.1
298.14294	0.8
299.12787	0.4
315.08633	0.4
315.14490	0.4
330.16940	100.0
331.11899	0.8
331.17291	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	330.037
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04488	4.9
70.92293	10.5
73.67318	4.0
81.30951	4.2
91.05466	4.5
95.06078	5.8
98.98460	100.0
99.04308	3.6
168.51384	3.4
174.99187	5.9
176.84268	3.5
176.98918	12.8
189.23970	3.4
193.45143	3.6
216.03311	5.0
268.17978	7.4
303.04935	10.0
313.08203	7.7
330.03635	16.9
330.10406	7.3
330.20859	4.3
330.26108	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	330.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02889	1.1
70.15465	4.6
70.15871	2.5
73.74944	1.2
98.20765	1.7
157.41373	1.2
204.01526	1.3
325.93341	1.3
330.09418	100.0
331.09671	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	330.1696
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
55.01869	0.4
55.48106	0.3
56.05030	0.6
57.36414	0.3
58.06592	83.6
58.98614	0.3
59.06926	1.1
67.05481	0.4
69.03423	0.6
69.07067	0.4
69.70785	1.5
69.71212	0.8
70.06581	1.8
71.07365	0.3
72.08158	0.7
74.06097	0.3
79.05485	0.3
81.03398	0.3
84.08102	0.3
85.02891	0.8
86.09704	1.2
91.05462	1.1
91.38787	0.3
93.07005	0.6
94.06594	0.3
95.04961	0.7
98.98455	21.4
100.48147	0.3
100.98869	0.5
101.07144	0.4
105.07010	0.3
106.06529	0.6
107.04918	0.5
109.06528	0.4
111.02575	0.3
115.05443	2.5
116.07084	0.9
116.99485	0.7
117.06999	0.7
119.04944	0.9
121.06466	0.6
123.04413	23.0
124.03996	0.3
124.04789	0.6
126.05519	0.4
127.03922	0.3
131.04935	0.6
135.04410	0.5
136.03918	0.6
137.05962	8.0
138.03708	3.9
138.06262	0.4
140.07037	0.7
143.04895	9.6
145.06448	1.0
147.04440	0.6
149.05986	1.2
151.06255	1.0
151.07529	2.3
152.07008	0.5
153.07074	0.3
154.04965	11.8
154.08612	0.3
156.04753	0.4
160.05165	1.2
161.05962	1.9
163.03856	0.5
163.07550	1.2
168.06567	0.8
168.10187	0.3
169.05022	0.3
169.12219	0.4
174.09071	0.4
174.99217	1.5
175.07532	9.3
175.09837	0.4
175.31119	0.3
175.70967	0.3
175.99561	0.3
176.08208	0.5
176.10686	0.6
176.98923	2.4
177.09090	0.6
179.08453	0.7
184.04257	8.6
187.14362	0.8
192.10150	2.3
193.10974	1.6
194.11749	0.8
207.08057	1.6
209.09605	0.4
211.05904	0.3
215.13933	0.3
225.09079	1.3
227.10703	0.9
235.07542	0.5
237.09035	0.5
241.12251	0.3
245.66342	0.3
252.99699	0.5
253.08595	1.9
254.99524	0.4
255.10168	0.8
267.10175	0.3
270.08884	0.6
285.11176	6.6
286.11536	0.8
287.12714	3.8
298.14291	0.7
330.12198	4.0
330.16940	100.0
331.11804	0.5
331.12692	0.5
331.17285	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	329.1376
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
51.62986	0.2
53.03933	0.4
54.29053	0.2
55.01853	0.2
58.06588	5.7
62.15755	0.2
67.05487	0.3
69.07064	0.3
69.49790	2.6
69.61312	0.2
70.06580	1.6
72.08134	0.6
77.01581	0.3
78.04720	0.3
79.05470	1.0
81.03416	0.4
81.07045	0.5
84.08110	0.6
85.02888	0.6
86.09695	1.0
89.03905	1.0
91.05463	4.2
93.07039	1.7
94.04160	0.4
95.04961	1.3
98.98450	100.0
100.98881	1.3
103.05447	2.4
105.03340	0.6
105.07021	1.1
105.64359	0.2
107.04909	0.5
107.08583	0.4
109.02885	0.3
109.06555	0.3
111.04389	0.3
115.05456	1.6
116.07063	0.6
116.99488	3.6
117.03362	1.1
117.07018	0.9
119.04950	0.9
120.08076	1.3
121.02879	0.4
121.05665	0.5
121.06474	3.5
122.03638	1.8
123.04405	1.6
124.07538	0.2
131.04906	0.8
133.02834	11.7
133.06407	0.4
134.03630	0.3
135.04405	0.7
135.08043	1.5
137.05956	20.8
138.06319	0.5
140.01028	0.5
143.04909	1.6
144.05684	0.3
145.06462	0.5
147.04411	1.1
147.08057	1.3
149.05954	8.0
149.09625	0.3
150.06549	0.5
151.03883	0.5
151.07544	0.8
160.05197	1.1
161.05936	1.3
162.06723	0.4
163.03856	0.6
163.07512	4.7
165.05466	3.3
165.06981	0.7
167.07010	0.5
168.06613	0.3
174.99197	10.2
175.07523	5.7
175.99475	0.4
176.98885	6.0
177.05478	0.5
177.09100	0.6
178.07738	0.4
179.07008	0.7
179.08539	0.9
181.06514	0.4
187.07501	0.6
190.07718	0.3
191.08595	0.7
193.06494	0.7
195.07954	0.4
197.09662	0.2
205.08591	0.9
207.07985	1.3
208.08748	0.2
209.09624	0.3
210.06793	0.2
211.07507	0.5
219.08018	0.9
221.05981	0.6
221.09579	0.3
223.07428	0.3
224.08183	0.6
225.09093	1.2
227.07024	0.2
235.07594	0.8
236.08315	0.4
237.09149	0.5
239.10649	1.1
241.08810	0.2
247.07622	0.5
250.99939	1.2
251.07036	0.5
251.10638	0.6
252.07521	0.6
252.99695	1.8
253.08582	0.9
257.11755	0.3
267.10193	1.3
269.08084	0.4
279.10098	1.5
281.11575	0.6
283.09753	0.2
284.09766	0.4
285.08270	0.3
285.11154	2.1
296.10236	0.4
297.18536	0.3
299.12735	4.9
300.13104	0.4
311.09442	0.3
311.12759	2.5
329.06058	0.3
329.09927	0.5
329.13599	3.5
329.21582	0.8
330.10855	0.5
330.16989	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	328.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99027	0.8
57.03420	2.2
58.06596	4.0
59.04994	33.8
61.02908	0.6
69.03417	2.1
70.06589	3.5
70.92186	1.8
70.92546	0.6
72.08149	4.9
73.06547	100.0
74.06880	1.5
81.03397	2.2
85.02891	7.9
86.09700	6.6
86.55868	0.6
95.04971	0.8
95.08655	0.8
97.02899	2.5
98.98455	71.1
109.02879	1.9
116.07065	6.8
116.07774	0.7
116.99501	2.3
117.09108	7.3
120.08109	2.6
127.03931	1.5
130.85187	0.6
131.10652	10.4
133.02824	1.2
137.05974	4.0
138.09143	1.2
145.04976	1.5
149.05960	1.0
149.11711	57.9
150.11996	0.8
161.06013	0.8
162.09070	0.6
163.03940	1.8
163.07565	1.2
164.04260	1.2
165.33791	0.7
166.08653	2.3
168.18703	0.8
174.99200	8.9
175.07600	0.8
175.99644	0.8
176.98950	2.8
179.07048	0.8
184.09615	0.8
185.16472	3.0
190.08656	1.0
202.10732	1.0
205.06529	2.7
206.11652	0.9
213.15910	1.6
215.61894	0.8
223.07553	2.6
233.05968	0.9
251.07018	6.3
252.99797	1.3
265.08627	0.7
266.08813	0.7
283.09628	6.4
291.07227	0.7
299.12537	0.8
310.19830	0.8
328.09216	0.9
328.15460	14.0
328.21527	0.9
329.13898	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	328.1538
Annotation	Boldine
Peak:m/z	Relative Intensity
52.48421	0.6
52.58136	0.6
58.06592	16.7
62.22462	0.6
67.05502	1.0
69.45277	2.8
69.45704	4.6
70.06581	2.5
72.08148	0.7
75.75510	0.7
78.67204	0.7
81.03403	1.2
81.07048	1.3
85.02872	0.9
86.09682	1.5
91.05461	1.6
93.07021	1.2
95.08604	0.9
98.98456	99.1
105.07006	7.8
107.04960	1.7
107.08624	1.0
109.06491	1.0
115.05423	1.4
116.07108	1.1
116.99477	3.5
117.07016	0.9
119.08553	6.1
120.01138	1.5
120.08102	0.7
121.06501	0.8
121.10148	0.7
122.02756	4.3
131.08571	1.4
133.06474	1.3
133.10117	3.2
137.02354	2.5
137.05971	11.9
143.28961	0.6
145.06491	1.0
147.04422	0.8
147.11700	2.4
148.02168	0.6
149.06004	0.7
151.03725	0.7
151.07487	1.0
159.11687	0.9
160.05226	1.5
161.05994	1.9
161.13254	8.8
162.05733	0.9
163.07568	0.8
165.06973	0.9
166.03224	1.7
166.08717	1.1
171.11696	1.4
174.99200	10.7
175.07538	6.1
175.99483	1.3
176.98898	2.8
177.06889	3.6
178.08643	2.9
179.08755	0.7
187.07558	4.9
189.06975	1.2
189.12733	17.6
190.07616	0.7
191.08603	2.9
194.05627	1.0
194.07201	5.2
195.07997	1.2
203.61794	0.7
204.05693	0.7
205.06468	23.6
206.07034	1.4
206.11740	1.8
207.07988	1.3
207.13791	13.3
208.08698	0.8
209.09619	1.8
211.07521	1.6
219.08043	2.3
221.05980	1.1
222.06754	12.8
223.07498	2.4
225.09091	0.7
233.05942	27.0
234.06548	3.1
236.08185	0.8
237.09076	27.9
238.09621	0.7
239.07053	4.1
240.07767	2.0
247.07605	1.7
250.06227	6.3
251.00073	0.9
251.06964	3.4
252.99706	1.7
253.08678	0.9
254.09473	2.4
255.10216	0.8
265.08572	100.0
266.08966	5.5
267.06445	1.3
268.07242	1.9
269.11826	0.8
279.10263	1.1
282.08932	4.9
283.09586	11.8
284.10074	0.8
285.11322	0.8
297.11194	82.2
298.11493	4.5
311.12674	3.5
312.12189	1.8
313.13120	1.4
328.15530	61.0
328.18939	2.6
329.10239	1.0
329.16080	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	327.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01865	1.0
55.05501	8.2
56.66493	0.4
57.03423	0.8
57.07065	6.2
58.06598	0.5
58.50732	0.4
59.04992	1.0
62.60889	0.5
63.37025	0.5
65.03926	0.8
65.95070	0.4
67.05495	11.5
69.03396	0.7
69.07056	24.0
69.77837	4.2
70.22890	0.5
70.52811	0.5
71.04969	2.0
71.08609	3.4
79.05480	7.0
81.03407	1.0
81.07041	48.4
82.07393	0.9
83.04981	0.7
83.08605	9.2
85.06530	6.6
85.10171	1.1
91.05447	3.5
93.07030	14.0
95.04941	1.3
95.08588	31.6
96.08961	0.6
97.06528	3.2
97.10154	3.5
98.98449	100.0
99.04430	0.6
99.08061	3.9
100.11257	0.8
103.05457	1.6
105.07018	7.0
107.04958	1.1
107.08577	14.8
109.06494	1.4
109.10141	17.1
110.07199	0.6
110.10468	0.8
111.08068	9.7
111.11699	3.4
113.09649	0.6
116.99472	2.7
119.08548	4.7
120.08096	0.7
121.10127	9.8
122.03605	0.9
123.08057	0.9
123.11693	17.0
125.09660	1.2
125.13259	1.3
131.04897	1.8
133.06445	2.7
133.10115	1.5
135.08034	1.1
135.11668	6.7
137.05952	11.1
137.09627	0.7
137.13239	10.4
139.11142	1.4
140.01030	0.7
145.02779	0.6
145.06435	1.2
147.04454	0.7
147.11650	4.7
149.13223	7.6
151.03894	0.9
151.07516	2.3
151.14801	1.2
153.12733	3.9
155.14262	3.0
156.13829	0.7
161.13214	2.4
163.03888	4.5
163.07515	4.3
163.14810	2.8
165.09132	0.7
165.12726	3.4
165.16341	0.9
167.14288	0.8
171.13786	1.0
174.99200	15.7
175.14775	1.0
177.16360	2.9
179.14296	0.6
179.17969	0.7
182.15355	0.7
183.13817	0.8
189.16382	0.6
191.17924	1.4
201.14706	0.7
203.10689	0.9
203.17841	0.7
207.07928	0.8
217.19577	1.5
218.66202	0.5
234.06804	0.7
235.07413	0.9
249.09164	1.3
251.00046	3.1
261.26093	0.8
267.10159	0.5
273.25745	2.0
277.08563	2.7
278.09076	0.7
279.26898	2.4
283.09250	0.6
291.26794	5.6
295.09677	1.0
295.13037	0.7
297.11130	0.6
297.28308	0.5
309.11224	1.3
309.27692	2.8
320.33243	0.5
327.12195	3.2
327.15775	1.1
327.19504	1.1
327.23349	0.6
327.28067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41142	0.5
55.01855	0.9
55.05503	2.7
57.07056	1.5
58.10538	0.3
59.04982	1.3
66.59734	0.3
67.05493	3.6
69.03408	0.7
69.07056	7.7
71.04977	1.6
71.48526	0.9
79.05463	2.1
81.07043	10.3
81.07527	0.6
83.04951	0.5
83.08613	3.9
83.19803	0.4
85.06523	1.0
85.41588	0.3
91.05466	3.8
93.07013	4.1
95.04960	0.9
95.08589	10.5
97.06529	1.4
97.10159	1.4
98.98450	100.0
99.08081	0.7
99.85488	0.4
103.05422	0.7
105.07018	1.8
107.08581	3.9
109.06489	0.5
109.10151	6.2
111.08083	1.3
111.11703	1.7
111.62748	0.4
113.09628	0.6
116.99485	3.0
119.04914	2.8
119.08575	1.4
121.06483	0.4
121.10095	2.8
122.03656	1.2
123.08048	0.6
123.11688	6.9
125.13259	0.7
131.04904	0.9
131.08521	0.6
133.06467	0.7
133.10114	1.3
135.11674	2.6
136.05170	0.6
137.05946	13.2
137.09543	0.5
137.13222	3.0
138.06291	0.9
140.01060	1.2
143.08540	1.1
145.06485	0.4
145.10143	0.8
147.11670	1.4
149.13213	2.7
151.03830	0.6
151.07526	12.7
151.14780	0.8
152.07800	0.6
153.12762	1.1
155.14233	0.4
161.05975	0.5
161.13261	0.5
163.07471	1.8
163.14793	1.3
165.09094	1.6
165.12717	0.5
165.16408	0.5
171.08015	1.2
173.13240	0.5
174.99203	15.7
175.14807	0.5
175.99493	0.7
177.09129	0.9
177.16370	1.0
188.08292	1.6
189.09190	0.4
191.17949	0.9
203.10637	5.7
203.17937	0.8
217.19518	0.6
241.51740	0.4
250.99937	3.4
261.25778	1.7
267.10205	0.5
273.25751	1.3
277.08661	0.5
279.26785	2.0
283.09686	0.5
291.26819	2.3
295.13156	0.6
309.27832	1.1
319.05997	0.4
327.00919	0.5
327.08521	0.9
327.12228	1.4
327.15863	2.9
327.19397	0.7
327.23108	0.7
327.26761	0.7
328.16077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.5
55.01844	2.1
55.05502	7.3
57.03418	1.6
57.07049	4.3
59.04972	1.5
65.03905	1.4
67.05178	1.4
67.05491	18.4
69.07052	8.6
71.04955	1.6
74.33250	1.2
74.45165	1.1
79.05476	10.1
81.07046	16.1
83.08589	2.9
85.06528	1.9
91.05458	20.4
93.07030	38.0
94.07300	1.3
95.04951	38.1
95.08586	25.8
97.06518	8.8
98.21465	2.9
98.98448	100.0
103.05421	1.7
105.07006	26.9
107.04963	1.2
107.08572	19.6
109.06522	5.7
109.10149	12.5
117.06989	8.8
119.08553	30.9
121.06482	6.7
121.10123	13.6
123.08065	7.1
123.11667	4.8
128.06187	2.7
129.06958	4.1
130.07745	3.1
131.08528	15.2
133.06543	1.3
133.10107	23.8
133.21432	1.6
135.08041	6.5
135.11630	5.6
137.05925	1.7
137.09575	2.7
141.06984	1.2
142.07733	5.2
143.08536	10.0
144.09314	4.0
145.10109	17.1
147.07977	2.1
147.11652	7.0
149.09572	2.2
149.13206	2.6
151.07515	1.9
155.08519	3.6
156.09293	3.7
157.10097	18.8
158.10886	1.3
159.08008	3.1
159.11668	20.9
161.09601	8.5
161.13228	3.4
163.11026	2.2
163.14812	1.5
167.08542	2.5
169.10069	8.3
170.10921	2.2
171.11641	7.5
173.09654	1.3
173.13226	9.4
174.99193	18.2
175.11053	1.4
175.14783	10.7
179.08434	1.6
181.10057	2.5
183.11679	5.3
185.09741	1.1
185.13216	3.7
187.11217	2.6
187.14799	8.7
189.12711	1.3
189.16299	1.8
192.09096	1.3
193.10080	1.7
194.10822	1.5
195.11636	2.0
196.12363	1.8
197.13225	5.6
199.11122	1.2
199.14801	5.0
201.12724	2.2
203.10670	1.2
205.15776	2.6
207.11638	2.0
209.13255	3.7
211.14789	3.7
213.16411	2.3
215.14305	2.4
217.15894	3.2
221.13261	1.4
223.14677	1.3
225.12804	1.8
225.16367	3.7
227.14206	2.2
229.15941	1.5
235.14774	1.5
237.16209	1.7
240.18707	1.3
241.15860	1.7
250.99939	3.0
291.21005	2.2
309.21985	6.1
327.07822	1.6
327.23257	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01869	2.4
55.05494	11.8
57.03423	2.1
57.07061	4.3
59.04985	1.8
67.05493	26.0
68.57405	2.1
69.03420	3.2
69.07056	10.8
69.53757	16.9
71.04971	2.9
79.05479	21.2
81.03396	4.2
81.07047	27.3
83.04993	2.0
83.08586	3.9
85.06560	2.4
86.68843	1.8
91.05470	31.9
92.26128	1.8
93.07031	63.3
95.04488	1.8
95.04952	60.3
95.08588	38.3
97.06506	15.0
98.21384	3.4
98.97800	4.9
98.98451	100.0
103.05480	1.9
105.07009	48.7
107.08571	30.7
109.06516	12.4
109.10155	18.5
115.05408	3.7
116.99432	2.9
117.06987	12.9
119.08559	50.2
121.06496	14.7
121.10127	30.2
123.08057	9.3
123.11691	5.3
128.06215	5.8
129.07013	9.2
130.07777	5.1
131.08546	25.8
133.06412	2.3
133.10112	34.9
133.11116	2.5
135.08003	12.5
135.11668	9.2
137.09631	2.9
141.06995	3.2
142.07758	10.4
143.08536	20.5
144.09314	5.7
145.10098	33.3
147.08105	3.7
147.11659	13.8
149.09633	2.8
149.13210	3.0
152.06206	3.0
153.07002	2.2
155.08493	6.1
156.09302	5.8
157.10094	30.5
158.10846	4.5
159.07983	3.6
159.11674	31.9
161.09602	14.6
161.13234	6.2
163.11119	2.5
167.08557	3.8
169.10135	11.0
169.84541	2.1
170.10884	3.7
171.11668	13.3
172.12617	1.9
173.09676	2.9
173.13261	12.1
174.99213	16.2
175.14804	15.0
181.10011	4.0
183.11688	9.0
185.13216	8.3
187.11215	4.2
187.14795	16.5
189.16368	3.4
193.10129	2.4
194.10851	2.2
195.11681	3.8
196.12411	2.8
196.19099	2.2
197.13219	8.2
199.14861	6.8
205.15886	2.8
207.11635	3.6
209.13246	7.1
210.14040	2.3
211.14684	4.1
213.16422	5.5
215.14296	3.4
217.15848	5.4
220.12511	2.0
221.13257	2.5
222.13855	2.1
223.14774	3.2
225.16316	4.7
229.15891	2.2
233.03639	2.4
235.14803	2.9
251.00081	2.9
253.15799	4.6
265.19556	2.1
271.20615	3.7
281.22568	3.0
291.21082	2.6
309.22079	7.7
327.07794	11.9
327.23114	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	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02369	0.3
53.03942	0.5
53.74874	0.2
55.01859	0.7
57.03427	0.3
58.06600	1.6
65.03923	0.5
67.05496	0.6
68.19269	0.2
69.03427	0.6
69.07054	0.3
70.06379	0.7
79.05486	2.4
81.03407	0.4
81.07047	1.3
85.02909	1.4
86.09692	0.9
91.05468	4.7
93.07036	1.1
94.04186	2.1
95.04951	1.1
95.08601	0.5
98.98457	47.7
103.05458	15.0
103.06168	0.5
104.05733	0.4
105.07016	8.2
106.07376	0.3
107.04953	3.1
107.08601	0.5
108.05695	0.3
108.08110	0.6
109.02888	0.5
109.06518	2.5
109.08452	0.5
109.10158	0.5
115.05434	1.9
116.07069	0.3
116.99485	1.6
117.07021	1.6
119.04908	1.3
119.08546	0.5
120.08879	0.3
121.06494	5.5
122.03635	6.2
122.09658	0.4
123.04448	0.5
123.08027	0.8
123.09873	0.3
128.06230	0.7
129.06999	0.8
131.04912	18.7
132.05254	0.4
133.06476	32.2
134.06824	1.0
135.08037	11.8
136.05211	0.6
136.08409	0.3
137.05962	100.0
138.06297	3.0
143.04918	0.9
143.08548	0.5
144.05740	0.4
145.06479	7.8
145.28636	0.2
147.04417	0.6
147.08018	2.3
148.02138	2.1
149.05972	2.0
150.12752	0.7
151.07526	12.2
151.13177	0.5
152.14206	0.3
153.14691	0.4
157.06471	3.2
158.07156	0.3
159.08104	0.3
160.05200	0.6
161.05952	0.7
162.06760	0.4
163.07526	50.2
164.07898	1.9
165.04379	0.4
165.09093	0.7
166.03226	3.1
169.06581	0.4
171.08015	1.1
172.05220	0.5
174.99214	7.3
175.00723	0.4
175.07539	3.5
176.08296	0.3
177.09093	1.2
178.08601	1.1
181.06439	0.4
182.07150	0.3
187.07494	1.9
188.08267	0.4
189.09068	2.0
194.07237	0.3
195.08026	0.5
202.07722	0.8
203.06860	0.3
203.10623	1.8
205.06526	0.7
207.08015	1.1
207.11591	0.4
219.07878	0.4
220.08813	0.9
223.07471	0.3
233.05984	0.8
234.06696	0.4
235.07410	0.3
235.11147	2.1
237.09132	0.4
245.09630	1.6
247.07462	0.3
248.08333	0.9
249.08948	0.4
250.99988	1.5
251.07057	0.4
263.10648	3.4
264.11133	0.3
265.08627	2.5
267.10196	0.4
267.13791	0.4
277.08603	0.4
282.16895	0.8
283.09482	0.3
283.17316	5.0
295.09927	0.6
295.13251	13.9
296.13596	1.0
297.11154	1.5
312.13425	0.6
327.12280	1.5
327.15790	14.0
327.19855	5.0
328.15717	3.6
328.19839	0.4
339.20422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1584
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
65.03902	0.5
69.71597	2.8
69.72023	1.9
71.30856	0.5
79.05481	1.4
81.07015	0.9
91.05463	19.7
91.06035	1.1
91.44891	0.5
93.07040	0.6
94.04159	1.8
95.04953	2.6
98.98460	8.4
105.06995	1.2
109.06491	1.2
119.04925	17.3
119.36639	0.6
122.03610	5.2
123.08057	0.7
128.06218	1.6
128.08081	0.5
129.06960	0.7
129.24568	0.5
133.06462	1.0
136.05164	1.9
137.05952	84.8
138.06270	0.9
143.08533	8.1
145.06406	0.9
151.07516	100.0
152.07895	1.7
160.08832	0.9
165.09096	10.5
171.08051	6.6
172.08749	1.3
173.05997	1.1
174.99217	1.1
175.07494	0.9
179.65501	0.6
188.08286	14.6
189.08891	0.9
189.11148	0.5
203.10634	43.4
204.10962	0.9
255.09914	0.6
269.08026	1.3
283.09714	0.8
298.11905	0.6
327.15848	29.3
328.16153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1586
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03939	0.6
54.39222	0.4
55.01876	0.8
57.03430	0.4
58.06578	1.7
65.03926	0.7
67.05488	0.7
67.54543	0.4
69.03409	0.5
69.67193	0.6
69.67600	2.3
70.06581	0.7
71.04987	0.4
75.73040	0.4
77.03918	0.5
79.05477	2.6
81.03411	1.2
81.07040	1.6
83.04973	0.6
85.02893	0.4
87.60352	0.4
91.05476	4.4
93.07040	1.4
94.04150	1.9
95.04958	2.0
95.08605	0.8
98.98453	96.1
103.05455	15.1
103.06141	0.6
105.07017	7.5
107.04926	3.6
107.08585	0.6
109.02880	0.6
109.06480	2.2
114.09167	0.6
115.05450	1.1
116.99490	3.4
117.07010	2.2
119.04916	1.4
119.08566	0.8
121.06496	6.0
122.03629	6.8
123.04408	0.7
123.08046	1.2
126.75198	0.4
128.06190	0.8
129.06989	1.0
131.04108	0.3
131.04913	19.1
133.06473	32.8
134.06824	0.8
135.08034	10.5
136.05144	0.7
137.05959	100.0
138.06300	2.6
140.01045	0.6
143.04912	1.1
145.06458	7.4
145.07547	0.5
147.08015	2.6
149.05998	1.9
151.07518	11.2
157.06485	2.5
159.08076	0.7
160.05194	0.7
161.05931	0.7
162.06731	0.9
163.07521	48.2
164.07825	1.8
165.04353	0.5
165.09193	0.7
171.08003	1.7
174.99191	14.8
175.04076	0.4
175.07527	3.3
177.09096	1.4
182.07353	0.4
187.07487	1.7
188.08246	0.5
189.09058	2.3
194.07396	0.6
202.07745	0.8
203.08813	0.4
203.10487	1.8
205.06665	0.6
207.08081	1.0
207.11772	0.6
211.07475	0.5
217.10085	0.6
217.12061	0.6
219.08017	0.5
220.08775	0.7
221.09598	0.4
233.06059	0.5
235.07477	0.5
235.11153	2.0
235.13321	1.2
237.08968	0.6
245.09525	1.3
251.00056	2.7
252.00356	0.4
263.10611	3.5
265.08508	0.9
295.13251	13.1
296.13632	1.0
297.11371	0.4
327.12387	1.8
327.15958	12.1
328.15610	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01863	3.1
55.05496	3.4
55.30494	0.4
55.61494	0.4
56.96564	2.5
57.03424	0.9
57.07048	0.8
59.74570	0.3
59.94846	0.4
67.05494	12.7
69.03414	1.1
69.07058	4.7
70.06586	0.4
71.04977	2.2
77.01610	0.4
79.05486	5.1
81.03407	0.7
81.07042	12.9
82.07391	0.3
83.04967	2.3
83.08606	1.1
85.02921	0.4
85.06526	2.4
91.05465	9.4
93.07027	7.4
93.07571	0.7
95.04959	2.9
95.08595	4.2
97.06514	1.0
97.10195	0.4
97.48760	0.3
97.99194	0.5
98.20638	0.8
98.98451	100.0
99.04428	1.6
99.08081	0.5
105.07016	9.2
106.07349	0.5
107.04909	0.8
107.08576	12.2
108.08929	0.4
109.06521	2.3
109.10136	20.0
111.08083	0.8
113.05991	0.7
116.00208	0.6
116.99482	3.4
117.06993	1.0
119.08567	2.9
120.08881	0.9
121.06496	1.0
121.10129	1.6
123.08073	1.2
123.11698	3.4
125.09618	0.6
127.07549	1.6
129.06960	0.6
131.08545	1.7
133.06525	0.5
133.10109	24.3
134.10461	0.9
135.08058	1.1
135.11662	1.7
137.05963	1.3
140.01044	2.1
142.07738	0.4
143.08521	1.0
145.10104	1.9
146.10506	0.4
147.08052	0.5
147.11623	0.7
149.09593	0.5
149.13292	0.7
151.07501	1.3
151.11156	16.2
152.11584	0.4
156.09357	0.4
157.10092	0.8
159.11720	1.8
161.09601	0.8
161.13260	0.7
169.10017	0.5
169.12222	6.4
171.11732	1.0
173.13260	0.8
174.99205	15.4
175.14755	0.5
179.10701	1.1
185.13287	0.5
187.14792	0.6
194.36357	0.4
197.11736	0.5
203.10709	0.9
209.13182	0.5
215.12767	3.2
215.14484	0.5
224.15007	1.5
226.16827	0.5
233.15256	0.5
239.17847	0.6
245.18990	0.5
250.99895	3.2
255.17435	0.6
263.20123	0.9
264.15558	0.5
273.18558	2.5
281.22595	0.7
291.19495	5.5
302.67978	1.2
309.20410	0.7
314.18835	1.0
325.76294	0.6
326.21927	2.5
326.25650	0.7
327.08176	0.4
327.23044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01855	0.8
55.05509	2.2
56.05026	0.7
57.03421	1.1
57.07061	1.2
58.06599	3.6
62.81751	0.5
67.05496	1.7
68.04999	0.9
69.07049	1.7
70.06571	3.6
71.04710	1.6
72.08141	1.5
79.05488	4.6
80.04993	1.7
81.03410	2.3
81.07052	3.1
82.06579	0.7
82.64680	0.6
83.04933	0.6
83.08619	0.8
84.04497	6.6
84.08154	0.6
85.02900	11.4
86.09677	0.7
87.08073	0.8
91.05474	3.3
92.31763	0.7
93.07029	6.1
94.04168	1.0
94.06537	0.8
95.04958	1.7
95.08582	2.0
96.08102	0.7
98.02401	0.9
98.06086	0.6
98.98457	86.7
100.11259	0.6
102.05523	1.9
103.05460	7.0
105.07032	5.5
107.04940	2.1
107.08582	3.5
108.08109	21.2
109.06520	1.0
109.08900	1.0
109.10137	1.2
110.09649	1.8
113.12097	0.5
114.05524	2.6
115.05454	0.8
116.07055	3.4
116.99486	3.0
117.07048	1.3
119.08584	8.0
121.06518	3.3
121.10130	0.9
122.03642	3.7
122.09660	10.9
123.08073	0.8
123.10436	2.3
130.04936	0.7
131.03419	1.0
131.04919	10.4
133.02840	0.7
133.06473	18.0
133.10088	0.9
134.03198	0.8
134.09645	0.8
135.04370	1.2
135.08031	5.8
135.11671	5.9
136.07536	1.4
136.11151	3.9
137.05965	61.3
137.09531	1.1
140.01039	0.8
140.10652	0.9
143.04922	0.7
145.06465	5.0
147.04362	0.7
147.08012	1.8
149.05981	1.4
150.12766	25.5
151.07530	6.8
151.13565	8.2
152.14334	9.5
153.15007	0.6
155.83501	0.6
157.06467	1.8
157.09961	0.6
160.09784	0.6
161.05928	0.8
163.03938	3.3
163.07529	31.9
164.04233	3.6
164.07053	1.1
165.12645	0.6
166.12257	0.9
171.08032	1.8
174.99213	15.8
175.07556	2.6
175.11131	1.3
177.09094	1.4
187.07530	1.2
189.09048	1.1
194.11726	0.9
195.12492	0.7
196.13304	1.3
203.10680	1.2
206.16290	0.7
208.09621	0.8
208.13332	1.3
210.07552	1.6
211.11708	0.6
217.10069	0.7
228.12209	1.0
235.11201	1.4
236.16356	1.4
238.10593	0.7
251.00131	2.9
252.12256	1.3
263.10593	2.6
264.15997	1.3
280.15518	0.8
282.16968	100.0
283.09427	0.7
283.17355	7.7
284.18542	2.6
295.13263	8.3
308.18469	3.9
311.11414	1.0
326.13513	2.7
326.19589	79.2
327.12146	1.2
327.15948	8.5
327.19952	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	326.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05285	0.7
51.48810	0.7
56.96561	5.1
69.03400	0.8
69.71932	2.8
69.72365	2.8
75.81954	0.7
79.65243	0.7
81.03383	0.8
84.08139	0.9
85.02929	1.7
96.54703	0.7
97.02874	1.6
98.97577	7.5
98.98186	1.1
98.98461	1.3
101.00884	1.5
116.98618	7.8
119.01917	4.9
128.98560	1.1
131.01866	1.0
134.99654	3.8
137.02948	1.3
172.94368	0.9
177.00952	10.3
178.00996	2.3
185.07690	1.3
185.53998	0.8
186.99077	1.0
190.95261	1.2
198.10796	0.9
201.00975	2.0
208.51964	0.8
216.98936	0.8
219.01974	19.3
219.12726	0.8
220.02075	1.4
225.01009	2.1
233.98523	0.8
234.01096	0.8
234.99565	1.0
242.09787	1.8
243.02003	8.9
246.96489	0.9
260.00177	1.7
261.03021	100.0
262.03238	7.1
262.99142	0.9
263.03278	1.0
278.01181	1.1
279.00800	1.0
279.97717	0.8
281.99002	0.8
283.99869	3.9
284.04593	3.5
284.99832	1.5
302.01132	7.5
303.00821	2.9
303.04153	3.2
326.01620	0.8
326.11957	6.5
344.02191	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	325.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.01851	5.8
55.05502	15.8
57.03411	5.4
57.07069	10.0
59.04959	2.6
61.02898	2.9
67.05486	20.3
69.03407	17.2
69.07057	65.9
70.06561	6.6
70.07381	1.8
71.04971	12.8
71.08602	3.2
72.38371	1.4
79.05475	16.1
81.03408	10.9
81.07040	100.0
82.07374	2.3
83.04926	3.0
83.08604	20.5
85.02892	29.8
85.06526	9.9
85.06945	1.7
85.10173	1.7
87.04445	1.6
87.55120	1.4
89.03878	4.4
91.05469	17.3
92.52008	1.6
93.07025	45.7
95.04961	9.2
95.07991	2.9
95.08587	54.8
96.08889	1.5
97.02871	6.1
97.06493	12.6
97.10147	5.4
99.04443	3.1
99.08055	6.9
101.05943	1.6
103.05418	1.6
105.07006	18.2
107.04923	4.5
107.08570	42.9
108.08852	2.5
109.02840	5.6
109.06517	8.3
109.10136	37.4
110.10430	1.6
111.08060	39.9
111.11693	12.0
113.09627	11.1
115.05415	2.3
116.07041	4.9
117.03361	10.5
119.04903	4.3
119.08564	16.4
120.08043	1.8
121.06461	4.2
121.10129	21.3
122.03622	1.8
123.04388	2.1
123.08040	4.4
123.11678	32.7
125.09641	2.5
127.03866	6.6
127.11148	2.1
129.07036	1.7
131.04945	1.7
131.08543	5.6
133.02831	27.5
133.10101	22.2
135.03444	2.1
135.04396	20.8
135.11703	11.5
137.05943	17.9
137.09581	3.7
137.13222	8.8
139.11163	18.6
145.02829	17.4
145.04857	7.8
145.06459	2.0
145.10083	4.6
147.04356	3.0
147.11624	8.1
148.11156	3.2
149.05916	4.7
149.07039	1.5
149.09621	1.8
149.13225	13.7
150.06764	2.8
151.07558	4.0
151.11153	42.0
151.14748	4.3
152.11467	2.4
153.12701	7.8
157.10123	2.6
159.11656	4.4
161.05907	2.6
161.13216	5.9
163.03880	98.7
163.07487	3.3
163.11156	4.0
163.14757	5.4
164.04242	6.0
165.05476	4.5
165.06828	2.0
165.12729	7.3
169.06422	2.0
169.12204	6.6
173.05907	1.8
173.13222	3.6
175.03879	5.2
175.07535	3.4
175.14792	5.8
177.05481	9.2
177.06883	2.7
177.16388	3.9
179.14296	2.0
181.12225	6.2
181.15620	2.0
189.16330	5.4
193.15831	2.1
194.07199	1.7
201.05487	10.1
201.09132	3.5
201.16368	2.3
203.17719	1.9
205.06465	4.0
207.17371	4.0
209.18900	2.4
219.21133	2.1
222.06546	2.5
229.38150	1.9
233.05852	4.5
233.18719	1.9
245.22591	2.0
249.05513	2.1
250.06238	4.5
251.06940	2.3
259.24216	4.1
265.08578	5.2
270.62198	1.5
271.17065	1.9
271.24203	4.9
277.25232	12.7
289.25201	27.2
290.25491	3.2
292.07239	3.7
293.07919	5.8
293.11136	1.9
294.08453	1.8
294.20532	2.8
295.26315	2.5
297.11148	2.1
307.08124	5.5
307.26266	58.0
308.21960	3.1
308.26578	7.6
325.10596	14.7
325.14520	3.6
325.18173	3.4
325.27347	6.7
325.68884	2.9
326.10986	3.1
339.48285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2731
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.95401	1.7
53.03930	2.9
55.01853	1.6
55.05502	13.3
55.22541	1.6
57.07050	4.4
59.04992	2.3
67.05490	12.3
69.03420	11.0
69.07055	83.5
70.07375	2.5
70.16846	4.5
70.17242	3.0
71.04968	5.2
79.05484	11.1
81.03377	9.0
81.07039	61.8
83.05000	1.8
83.08612	12.5
85.02873	8.1
85.06525	10.7
89.03908	5.6
91.05456	8.0
93.07028	26.2
95.04945	4.4
95.08585	36.6
97.06520	6.6
97.10131	3.8
98.03870	1.6
98.21326	3.1
99.08080	3.1
100.11195	1.6
105.07021	20.6
107.04917	2.7
107.08571	24.2
109.02883	3.9
109.06474	3.4
109.10139	24.6
111.08057	8.5
111.11697	22.5
117.03399	8.2
119.04955	1.8
119.08571	10.4
121.10130	25.4
123.11678	43.8
125.09626	3.4
125.13220	2.2
127.03872	2.6
131.08549	2.7
133.02811	18.5
133.10075	5.5
135.04388	20.1
135.08070	1.8
135.11685	10.0
136.04675	2.4
137.05931	10.1
137.13226	9.5
139.11151	24.5
145.02824	13.4
145.10153	2.2
146.03130	1.5
147.04393	3.6
147.11693	12.3
149.05969	2.9
149.13271	8.5
150.06703	2.8
151.11183	7.9
151.14783	2.6
153.12723	9.9
159.11644	3.1
161.13223	5.1
163.03873	100.0
163.11090	1.9
163.14810	4.8
164.04230	6.4
165.05457	1.7
165.12733	18.2
169.12184	5.0
169.15842	2.0
173.05991	2.5
173.13202	2.1
175.03865	2.7
175.07541	5.3
175.14769	3.0
177.16405	3.3
181.05077	2.1
181.12178	1.8
183.13768	5.2
187.14801	2.1
189.16397	2.9
201.05507	5.8
201.09061	1.9
201.16402	2.1
215.18031	1.8
222.06734	3.2
233.06142	2.2
239.06792	1.8
245.22638	2.4
249.05368	2.1
249.27870	1.6
265.08505	3.8
271.24063	4.6
277.25229	4.9
281.10950	1.6
289.25226	17.5
293.08154	3.1
307.08176	7.4
307.26242	35.3
308.26480	2.6
325.10410	8.8
325.14240	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	325.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
53.34001	0.4
55.01857	1.5
55.05492	1.0
56.05022	0.7
57.03411	1.4
57.05140	0.4
58.06590	2.2
61.02903	0.8
63.02377	0.5
67.05492	0.5
68.05019	0.7
69.03416	6.4
69.07044	1.5
69.61429	4.1
70.06577	0.9
71.04985	0.7
73.02892	0.9
73.11974	0.4
76.90857	0.4
77.03916	0.9
79.05476	2.5
80.05013	0.5
81.03400	12.3
81.07034	1.4
82.03737	0.5
82.06551	0.4
83.08566	0.5
84.04491	4.1
84.08110	1.0
85.02892	14.0
85.06537	0.5
86.06051	2.4
86.09666	0.8
87.01447	0.4
87.04481	0.8
89.03898	7.8
91.05460	2.8
93.07019	3.1
95.01297	0.5
95.04939	1.8
95.08595	0.5
96.08109	0.8
97.02880	2.3
98.06043	0.7
99.04431	1.3
101.02339	0.7
102.05527	2.9
103.05441	0.6
105.03354	1.1
105.07005	1.0
107.04915	3.3
107.08549	1.4
108.08096	13.5
109.02851	5.9
110.07133	0.5
110.09657	1.5
111.04459	0.5
114.05546	0.5
116.07064	0.7
117.03352	8.6
117.07002	0.5
118.03718	0.6
119.04895	2.0
119.08591	1.1
121.06471	0.7
121.10090	0.9
122.03649	0.9
122.09634	1.2
123.10471	0.5
124.03601	0.4
127.03873	2.7
130.04979	27.9
131.04863	0.8
131.08524	0.5
133.02827	16.2
133.10127	0.8
135.04393	18.5
135.11655	1.5
136.04718	1.0
136.07567	0.5
137.05933	4.3
145.02840	12.8
145.04810	0.8
145.06544	0.7
147.04352	1.9
149.05965	1.9
150.06746	1.8
150.12747	3.7
151.13489	0.7
152.14317	34.0
153.14754	1.1
154.15868	1.2
158.03671	0.7
161.05972	1.5
163.03874	100.0
164.04216	5.4
164.07036	1.3
165.05450	1.7
165.06877	0.5
167.06998	0.8
175.03867	2.9
175.07471	0.8
175.14778	0.6
177.05446	1.1
178.15923	1.3
181.04901	3.2
186.03160	0.9
187.07387	0.5
187.14735	0.6
191.08157	1.8
195.08127	0.5
195.10129	1.2
196.16933	11.6
201.05408	3.5
201.08827	0.6
205.06429	1.8
207.06444	0.7
221.06059	1.0
222.06711	1.1
233.05945	2.0
235.17966	1.4
237.09079	1.0
247.07321	0.5
249.05441	1.0
250.06117	0.6
251.06799	0.6
261.05438	0.6
264.07748	0.8
264.15906	5.2
265.08490	1.7
266.17749	0.5
277.08881	0.5
278.05795	0.8
281.18555	28.4
282.18958	1.3
283.13092	0.5
283.20117	1.0
292.07245	1.7
293.07925	2.4
294.08588	0.6
298.14276	0.7
307.07941	11.6
307.16373	0.5
308.08508	1.0
308.18488	1.4
325.10880	5.1
325.14163	1.6
325.21158	40.1
326.13907	1.8
326.21701	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	325.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06625	0.3
53.03924	1.2
55.01853	0.9
55.05493	0.8
57.03188	0.2
57.03429	2.1
58.06571	0.4
61.02919	2.0
61.43950	0.3
65.03908	0.4
67.05490	0.6
69.03416	7.1
69.07049	0.7
69.96851	0.7
69.97267	1.1
70.06588	0.4
71.01331	1.1
71.04978	0.5
72.08136	0.4
73.02900	2.4
76.31502	0.3
77.03885	0.3
79.05487	2.0
81.03405	9.7
81.07037	1.3
82.03745	0.3
83.04965	0.3
84.08131	0.4
85.02890	7.2
86.09684	0.3
87.04444	0.5
89.03905	5.8
89.07557	0.3
91.05446	2.2
93.07030	2.0
95.04953	1.4
95.08587	1.6
97.02874	2.6
97.06485	0.4
99.04427	1.0
103.05408	0.4
105.03356	0.5
105.07018	1.5
107.04948	2.3
107.08572	2.3
109.02859	4.6
109.06496	0.8
109.10145	0.8
111.04402	0.5
115.03909	0.8
115.05407	0.3
116.07105	0.3
117.03365	8.3
117.07002	0.7
118.03726	0.4
119.04899	1.2
119.08557	2.7
121.06461	1.0
121.10122	2.3
122.03672	0.3
123.08018	0.7
123.11687	0.9
127.03891	2.7
129.07010	0.4
131.08551	1.1
131.12109	0.4
133.02840	8.1
133.04922	0.7
133.06485	0.5
133.10101	3.3
133.33392	0.3
134.03488	0.3
135.04395	16.2
135.08014	1.0
135.11693	1.6
136.04759	0.7
136.07471	0.4
137.05959	2.6
137.09563	0.4
139.11185	0.4
143.08524	0.8
145.02831	11.2
145.04753	0.4
145.06416	0.4
145.10101	1.7
146.03117	0.6
147.04347	0.9
147.08070	0.6
147.11641	1.2
149.05957	1.7
149.09579	1.0
149.13206	0.5
150.06696	1.0
151.07539	0.4
152.14314	0.3
155.08588	0.3
157.10074	0.6
158.10863	0.5
159.08105	0.4
159.11662	1.1
160.39720	0.3
161.05951	0.8
161.09579	0.8
163.03876	100.0
164.04193	4.5
164.07016	0.7
165.05481	0.7
169.10101	0.4
171.11639	0.5
173.05968	0.3
173.09558	0.5
173.13287	2.6
175.03859	1.7
175.07489	0.6
175.14798	6.6
176.15225	0.7
177.05476	0.4
177.06932	0.4
177.09212	0.3
181.04970	2.7
183.11546	0.4
187.11125	0.4
187.14790	2.2
189.09117	0.3
189.16335	0.4
191.14297	0.8
193.15840	2.3
194.07196	0.5
201.05470	2.8
205.06439	1.0
205.15788	0.3
207.10080	0.4
209.11678	0.4
215.14230	0.5
217.15816	0.5
221.05931	0.8
222.06561	0.5
225.16254	0.3
229.15916	0.8
233.05939	1.6
234.06607	0.4
247.16957	0.5
249.05460	0.6
250.06152	1.0
251.07199	0.3
259.16956	0.5
261.05389	0.5
264.07794	0.6
265.08655	1.4
271.16879	1.1
277.05060	0.4
278.05682	0.4
283.96390	0.4
289.17990	1.9
292.07278	1.4
293.08005	1.8
307.07910	9.7
307.18942	3.2
307.21579	0.3
308.08499	0.8
308.19519	0.5
325.10336	4.3
325.20120	3.0
326.10733	0.4
326.14157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01666	3.1
55.01863	34.0
55.05502	42.3
56.96555	32.4
57.03424	32.1
57.48997	3.3
61.58116	3.3
67.05492	90.4
69.03412	9.1
69.07064	39.3
70.21983	18.4
70.98122	5.4
71.04980	7.4
73.06540	4.9
79.05476	93.6
81.03403	14.7
81.06594	6.5
81.07041	94.1
83.04956	37.7
83.08598	15.0
83.41575	3.7
85.06519	11.7
86.88300	3.5
91.05460	84.2
93.06487	5.9
93.07033	65.3
93.72398	3.8
95.04951	77.3
95.08591	64.8
97.02872	11.4
97.06522	12.9
97.10133	12.9
97.99111	4.6
98.07283	6.7
103.05417	4.8
105.07009	65.2
106.07281	4.6
107.04929	99.9
107.08572	36.4
108.05714	5.4
109.06497	52.8
109.10133	28.5
110.07307	5.4
111.04400	8.9
111.08039	13.5
112.05199	11.6
113.06008	8.0
117.06981	44.1
118.34585	3.7
119.04924	5.3
119.08558	43.6
120.05695	8.9
121.06498	20.7
121.10115	24.0
122.07286	41.3
123.04385	13.7
123.08024	13.5
123.11656	5.4
125.05942	7.0
128.06192	6.9
129.06943	20.1
131.08533	42.9
133.06456	26.2
133.10083	21.4
135.08058	21.2
135.11661	19.4
136.08739	4.2
137.05922	6.1
137.09531	12.1
141.06978	9.0
142.07722	8.2
143.08553	18.8
145.06490	25.6
145.10091	34.4
147.08018	43.4
147.11676	12.9
149.09538	11.0
151.07523	9.3
155.08458	9.8
157.10098	13.3
159.08046	6.4
159.11667	15.8
161.05978	4.4
161.09576	31.7
161.13242	9.7
162.10356	8.8
163.03871	6.1
163.11151	17.0
165.09122	9.7
169.10104	7.2
171.11592	11.8
173.09613	5.2
173.13202	22.6
175.11200	5.0
175.14708	3.9
178.62907	4.1
181.10225	4.1
185.13229	8.6
187.14761	22.7
189.12724	7.9
195.11655	4.5
197.13177	6.0
203.14191	7.6
205.15875	10.7
209.13310	5.5
215.14270	13.2
233.15315	100.0
234.15761	4.6
251.16409	28.4
261.18372	4.0
271.14526	4.9
273.18335	11.1
279.20999	17.8
280.15054	10.8
281.15854	4.5
285.14145	7.6
289.15347	6.6
290.18967	19.4
291.19403	6.9
292.66660	10.3
294.14713	13.9
303.15280	32.2
305.65582	4.3
314.66141	7.9
325.18076	6.6
325.21576	34.3
325.25000	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	325.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33378	0.5
53.03940	0.6
55.01855	1.2
55.05263	0.7
55.05503	7.9
56.96546	1.5
57.03405	0.6
59.04988	1.2
60.05633	3.2
61.02922	0.7
63.02378	0.5
67.05466	0.5
69.03075	0.6
69.03418	5.5
69.07048	1.5
70.06581	3.6
71.04966	0.8
71.78439	0.8
72.04504	0.8
72.07749	0.9
72.08141	14.1
73.02892	1.2
74.06040	0.6
79.05481	1.7
81.03410	7.0
81.07026	1.2
83.04942	0.6
83.08620	0.6
84.08105	1.0
85.02901	8.8
85.06527	1.3
86.09685	1.3
89.03888	4.3
91.05454	1.4
95.04967	0.6
97.02871	2.2
97.06533	0.5
97.07652	5.0
98.06036	25.9
98.97556	1.4
99.04430	0.9
101.05991	1.6
105.04533	0.4
105.07030	1.1
107.04925	1.9
109.02868	4.0
109.06465	0.5
110.07134	1.0
113.10753	1.9
114.09152	3.5
114.10277	14.3
115.05412	0.6
115.07880	0.9
115.08673	13.3
116.98589	1.6
117.03366	11.6
118.06536	0.6
119.04910	1.3
120.99557	0.6
121.02830	0.8
121.06487	0.8
123.04368	0.9
127.03882	2.7
128.98628	0.7
129.49773	0.5
131.12918	3.2
133.02852	1.1
133.06517	0.5
134.99695	0.8
135.04398	13.1
137.05992	2.4
140.07124	0.6
140.08177	0.8
145.02823	39.0
145.07564	2.4
145.08574	1.1
146.06073	0.6
147.04382	1.0
149.05916	2.7
149.54204	0.5
151.07536	2.9
152.07010	1.1
156.11232	0.9
157.10822	63.9
158.99571	0.8
161.05936	1.2
161.07199	0.5
163.03879	63.4
163.08589	1.6
164.04187	3.6
164.07036	3.7
166.08586	0.6
167.06979	0.7
173.13928	2.5
177.05440	74.1
178.05789	1.6
181.04958	1.9
186.05470	0.5
194.10341	9.2
194.12083	0.6
201.00502	0.6
207.06615	0.6
210.56322	0.5
211.05331	0.7
219.01781	0.6
236.10188	1.2
237.02763	1.1
247.14452	4.1
248.12801	4.3
262.15543	0.6
265.15424	1.0
266.10257	0.7
266.13885	0.7
290.14917	7.5
307.08060	6.9
307.17593	23.8
308.17569	0.7
325.14456	5.3
325.18616	100.0
325.59723	0.6
326.08707	0.7
326.12201	1.8
326.19009	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	325.1428
Annotation	Otobain
Peak:m/z	Relative Intensity
51.02387	1.0
52.75465	0.8
53.03926	1.5
55.01862	2.4
55.05502	1.8
57.03416	1.6
58.06590	1.0
61.02888	0.9
65.03921	1.2
67.05484	2.8
69.03426	6.6
69.07053	2.0
70.06569	1.1
70.57191	0.8
71.79546	1.8
79.05480	3.9
81.03416	8.6
81.07059	4.2
83.04936	1.0
85.02888	7.3
89.03880	4.0
91.05469	11.0
93.07032	2.2
94.04166	2.5
95.04955	2.4
95.08592	1.8
97.02869	2.0
97.06538	0.9
99.04455	1.9
103.05443	7.1
105.07001	4.0
107.04990	4.4
107.08578	2.1
109.02854	2.2
109.06513	1.9
115.05434	7.2
117.03357	6.0
117.07025	7.3
119.04911	2.3
119.08549	9.5
121.06506	1.4
121.10110	1.2
122.03657	7.2
127.03899	3.4
128.06184	3.3
129.06990	8.3
131.04921	13.6
132.05661	4.0
133.02808	6.6
133.06480	1.3
135.04407	11.2
135.08012	1.2
136.04745	1.0
137.05962	88.4
138.06293	3.3
141.06996	10.4
143.04913	1.6
145.02832	9.7
145.04994	1.1
145.06456	3.9
145.10161	1.3
146.03531	0.9
146.66264	0.9
147.04367	2.0
147.08023	21.8
147.52687	0.9
148.08327	1.4
149.05957	2.8
149.09549	1.2
150.06668	2.0
151.07500	4.0
157.06445	2.4
158.07213	1.3
160.05193	5.6
161.06001	7.7
162.06630	1.6
163.03886	69.2
163.07518	15.2
164.04216	4.3
169.06465	21.2
173.05998	1.5
175.03992	2.5
175.07527	100.0
176.07835	4.0
177.06955	1.6
181.04918	2.9
186.03122	1.6
186.06735	3.0
187.07478	2.8
187.11246	0.9
187.14787	1.6
189.09100	9.8
190.07788	1.9
194.07301	2.5
195.07927	0.9
201.05469	6.0
201.09071	14.4
205.06461	3.9
205.10107	1.8
205.32047	1.0
207.07999	1.6
218.07240	1.8
219.07820	1.3
221.05830	2.4
222.06682	2.9
233.05896	4.1
233.09586	5.2
234.06735	1.4
235.07379	1.8
237.09074	2.5
247.07402	1.2
249.05548	2.0
250.06146	3.7
250.10011	1.1
254.09213	1.1
261.08997	4.8
263.07132	0.9
265.08517	6.8
265.12143	2.0
266.08945	1.0
267.06390	1.2
268.07202	1.2
270.08786	1.6
278.05594	1.7
278.09372	1.6
279.10202	1.2
283.09540	2.5
292.07175	2.7
293.07959	7.3
293.11603	6.0
294.12332	1.4
295.09454	1.1
297.11194	2.4
307.09369	7.7
307.16483	1.1
308.08868	1.0
310.12164	1.3
325.10587	11.5
325.14264	83.7
326.11111	1.9
326.14551	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	325.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01859	2.3
55.05497	0.5
57.03440	3.2
58.06569	1.7
59.04960	0.5
59.37541	0.5
61.02894	1.7
69.03418	17.4
70.04573	0.5
70.06551	0.5
70.32690	2.3
71.01329	0.9
71.04984	4.9
73.02878	1.2
79.05472	1.2
81.03408	22.2
81.07023	0.6
82.88368	0.4
84.08112	0.8
85.02901	3.7
87.04406	0.4
89.03914	3.0
91.05451	1.9
93.07021	1.0
96.32428	0.4
97.02858	1.6
97.36738	0.4
98.21356	0.5
99.04438	6.6
107.04931	1.1
108.08089	0.7
109.02879	2.4
111.73493	0.4
117.03347	4.3
117.05486	1.8
118.06537	4.0
119.04903	1.1
119.08541	1.1
119.19889	0.4
120.08051	0.6
127.03875	1.6
131.04918	0.6
133.02837	5.3
135.03452	0.8
135.04401	9.5
137.05939	1.8
145.02834	6.0
145.07571	6.3
147.09142	8.2
149.05954	0.9
150.06662	0.6
161.07025	0.5
162.07878	0.7
163.03883	52.4
163.08649	1.4
164.04224	2.5
164.07062	0.9
165.05424	0.7
173.07109	11.4
173.13297	0.5
175.03847	1.5
175.07463	0.6
175.08679	6.3
175.14772	1.3
177.05434	0.6
177.06903	0.7
181.04953	1.6
187.14859	0.5
191.08128	100.0
192.08501	3.9
201.05455	1.5
205.06413	1.2
213.10236	0.5
233.05862	0.8
233.09222	1.3
250.06371	0.6
264.06714	1.1
265.08463	0.8
271.10983	0.6
282.16980	2.7
289.11777	1.5
293.08203	0.5
307.07825	4.2
307.12823	35.2
308.09042	1.4
308.13229	1.4
325.10513	1.8
325.13919	33.8
326.10788	0.6
326.14072	2.4
326.19611	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	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01634	0.3
55.01862	2.4
55.21372	0.3
55.89217	0.3
57.03200	0.3
57.03429	4.2
58.06590	1.7
59.04984	0.8
61.02916	1.4
69.03421	17.2
69.07053	0.4
70.06557	0.4
71.01344	1.7
71.04618	0.3
71.04984	4.7
71.40228	0.7
72.08144	0.3
73.02900	1.2
79.05469	1.1
81.03407	21.0
81.07019	0.5
82.03713	0.5
83.04948	0.4
84.08126	0.7
85.02896	3.8
86.09681	0.5
87.04456	0.3
89.03887	2.5
91.05481	1.8
93.07006	0.5
95.04956	1.1
95.08582	0.3
97.02905	1.5
99.04444	6.9
103.05460	0.4
105.03346	0.4
105.06983	0.7
107.04916	1.4
107.08562	0.6
108.08078	1.1
109.02866	2.5
109.06477	0.4
109.10126	0.4
114.05511	0.3
115.03934	0.4
115.05444	0.3
117.03376	3.7
117.05450	1.5
118.06518	4.6
119.04900	0.9
119.08542	1.3
120.08063	0.4
121.10065	0.3
122.09644	0.5
127.03933	1.4
131.04901	0.5
133.02843	3.7
133.06451	0.5
133.10121	0.9
135.04399	9.2
135.08018	0.5
135.11647	0.4
136.04698	0.8
137.06006	1.7
145.02832	5.9
145.04922	0.4
145.06467	0.6
145.07585	6.4
145.10133	0.7
146.03148	0.3
146.07849	0.4
147.04404	0.7
147.08029	0.5
147.09149	6.9
148.09515	0.4
149.05962	1.1
150.06734	0.6
150.12735	1.1
151.03839	0.3
151.13495	0.4
152.14243	0.5
161.05916	0.5
162.07822	1.1
163.03882	51.3
163.08690	0.9
164.04234	2.2
165.05470	0.4
173.07092	10.7
173.13161	0.6
174.07430	0.6
175.03909	1.1
175.08652	6.4
175.14825	1.8
177.05434	0.5
181.04970	1.9
187.08658	0.7
187.14764	0.9
190.07417	0.7
191.08130	100.0
192.08487	3.7
193.15919	0.7
201.05428	1.0
205.09724	0.7
219.06602	0.4
220.07359	0.4
221.05879	0.4
231.11322	0.6
233.05971	0.4
233.09344	1.5
233.11334	0.4
236.07059	0.3
237.09135	0.4
243.11267	0.4
250.06293	0.6
261.05582	0.4
264.06525	1.6
265.08426	0.6
271.10703	0.4
282.16956	5.4
289.11926	1.9
289.17993	0.5
293.07391	0.9
293.11322	0.3
304.93155	0.3
307.08142	4.9
307.12845	35.3
308.09039	2.1
308.13110	2.6
309.04340	0.3
325.13913	32.1
325.17477	1.2
326.10355	0.9
326.14145	2.6
326.19693	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	325.0913
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03920	0.8
57.03415	0.7
63.02347	0.2
69.03086	0.3
69.03423	3.0
70.96626	0.8
71.04959	0.3
73.02866	0.3
77.80402	0.3
79.05470	0.9
81.03401	8.3
85.02892	4.5
86.61253	0.3
88.58402	0.2
89.03901	5.4
95.04926	0.3
97.02859	1.1
99.04419	0.5
103.77225	0.3
107.04936	2.3
109.02867	3.2
117.03364	7.6
119.04916	0.3
127.03887	0.8
135.04393	16.6
145.02818	12.7
145.03734	0.3
163.03873	100.0
164.04213	3.2
181.04950	2.4
205.52065	0.2
205.54037	0.3
218.89653	0.3
265.06934	0.5
307.08069	9.5
308.08279	0.5
325.09003	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0913
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03922	0.8
55.01850	0.4
55.05492	0.6
57.03417	0.5
57.07055	0.3
61.02902	0.5
63.02362	0.2
63.96319	0.2
65.03889	0.2
67.05490	0.5
68.44579	0.3
69.03081	0.3
69.03419	3.7
69.07043	0.8
71.04971	0.7
79.05473	2.3
81.03403	7.4
81.07038	1.9
83.04956	0.4
84.04480	0.2
85.02888	6.0
85.06528	0.3
89.03898	5.9
91.05463	1.4
92.77612	0.2
93.07029	1.5
95.04951	0.9
95.08576	1.4
97.02876	1.9
97.06522	0.3
99.04434	1.0
103.05460	0.4
105.07001	1.0
106.49612	0.2
107.04929	2.0
107.08587	1.3
109.02861	3.0
109.06509	0.3
109.10139	0.9
110.07138	0.3
111.08082	0.3
115.05463	0.4
117.03358	7.7
117.06956	0.2
119.04912	0.5
119.08556	0.8
121.06487	0.3
121.10122	0.7
122.03594	0.4
123.11687	0.8
127.03899	1.6
129.07031	0.4
131.04932	0.7
133.02812	3.5
133.06403	0.3
135.04390	17.4
135.11627	0.8
136.04738	0.5
137.05946	4.1
139.11128	0.3
141.07011	0.4
145.02824	12.1
145.04895	0.7
145.06497	0.3
145.10115	0.4
146.03194	0.3
147.04416	0.6
147.08005	0.6
147.11612	0.4
149.05943	0.8
149.13280	0.5
149.48195	0.2
150.06664	0.4
151.07465	0.6
159.11743	0.3
161.05965	0.6
163.03871	100.0
164.04195	3.3
165.05374	0.5
165.06798	0.3
169.06471	0.7
175.03909	0.8
175.07518	2.2
177.06886	0.3
179.14638	0.3
181.04895	2.9
186.02992	0.5
186.05457	0.4
187.07567	0.4
193.12210	0.5
201.05415	1.6
201.09062	0.9
205.06407	0.6
220.62288	0.3
221.06053	0.3
222.06773	0.3
233.05907	0.6
233.09502	0.4
237.09103	0.3
239.06969	0.3
247.07526	0.3
250.06204	0.5
265.08691	0.6
267.06317	0.3
278.05765	0.3
292.07175	0.3
293.08060	0.8
297.11133	0.3
307.07953	6.1
308.08429	0.4
310.56705	0.3
325.10132	2.9
325.14432	1.8
325.21454	0.4
326.10147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01842	0.3
57.03411	0.7
63.00119	0.2
63.02379	0.5
69.03085	0.4
69.03419	3.9
69.69910	2.1
70.06592	0.5
71.04979	0.5
73.02870	0.3
79.05470	0.9
81.03407	8.2
81.07007	0.2
85.02895	3.9
89.03906	5.4
91.05466	0.5
95.04924	0.4
97.02869	1.3
98.21423	0.3
99.04448	1.1
107.04936	2.1
109.02854	3.3
117.03356	8.4
127.03876	1.8
133.02831	0.6
135.04395	17.8
136.04701	0.3
145.02821	12.3
146.03123	0.4
150.06764	0.2
163.03877	100.0
164.04234	2.0
175.03839	0.2
175.07555	0.3
180.02031	0.2
180.29585	0.2
181.04915	2.5
186.05367	0.3
235.09702	0.4
265.06879	0.5
307.08096	8.9
308.08368	0.3
325.09143	2.6
325.12781	0.3
325.14188	0.2
325.17935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03939	1.3
54.89518	0.2
55.01854	0.8
55.05474	0.3
57.03433	1.5
58.06567	0.4
61.02904	0.7
67.05467	0.3
69.03418	5.5
69.07036	0.8
70.06556	0.3
71.00373	0.6
71.01348	0.6
71.04970	0.9
73.02892	0.8
77.03909	0.4
79.05476	2.1
80.21722	0.2
81.03407	8.1
81.07037	1.1
83.04986	0.3
83.35165	0.3
83.56173	0.2
84.08120	0.4
85.02892	6.0
87.04437	0.3
89.03900	5.8
91.05464	2.3
93.07030	2.6
94.04121	0.3
95.04946	1.0
95.08583	1.6
97.02876	1.8
97.06474	0.3
99.04433	0.9
100.95739	0.2
102.15701	0.2
103.05447	0.7
105.03348	0.4
105.06987	1.6
107.04942	2.3
107.08562	2.6
108.05218	0.2
109.02866	3.8
109.06516	0.6
109.10163	0.7
115.03931	0.4
117.03364	7.5
117.07016	0.3
119.04911	1.6
119.08552	2.0
119.35101	0.2
121.06461	0.9
121.10118	2.9
123.04400	0.3
123.08046	0.8
123.11649	0.4
125.05918	0.3
125.29265	0.2
126.02304	0.3
127.03897	2.3
131.04947	0.4
131.08533	0.6
133.02829	8.1
133.06450	0.3
133.10112	1.0
135.04393	17.6
135.08002	0.5
135.11678	1.9
136.04755	0.3
137.05959	3.3
139.11124	0.4
143.08516	0.5
145.02827	13.3
145.06496	0.6
145.10104	1.0
146.03331	0.3
147.04362	1.1
147.08038	0.6
147.11639	0.6
149.05969	1.7
149.09567	0.5
150.06718	1.1
151.07478	0.6
157.10146	0.5
159.08017	0.5
159.11646	0.7
161.05940	0.8
163.03877	100.0
164.04237	2.9
165.05466	1.1
165.06995	0.3
167.07016	0.5
169.10049	0.3
171.11720	0.4
173.06006	0.3
173.09645	0.6
173.13240	1.1
175.03854	2.0
175.07527	0.6
175.11244	0.3
175.14767	2.2
177.05469	0.3
177.06877	0.3
181.04942	2.5
185.13234	0.4
186.03113	0.5
186.05516	0.5
187.07506	0.3
187.11136	0.5
187.14832	0.9
189.16403	0.4
191.08249	0.5
193.15868	0.5
194.07378	0.4
201.05461	2.3
201.09076	0.5
203.14322	0.4
205.06436	1.5
211.07393	0.3
213.12724	0.3
219.08136	0.4
221.05983	0.6
222.06757	0.9
227.14322	0.3
229.08662	0.3
229.15758	0.4
233.05928	1.6
234.06691	0.3
237.09048	0.7
239.07104	0.4
243.17371	0.3
247.16957	0.5
249.05421	0.6
250.06276	1.0
253.15843	0.8
259.17007	0.3
261.05386	0.5
264.07697	0.5
265.08691	1.2
271.16891	1.6
278.05789	0.6
282.08774	0.3
289.17899	1.6
292.07404	0.9
293.08127	1.6
293.11020	0.4
304.90250	0.3
307.07947	10.3
307.19031	2.5
308.08444	0.5
325.10239	4.2
325.14301	1.0
325.20172	1.0
325.59366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2163
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.57204	0.4
55.01871	0.7
55.05503	1.3
57.07072	0.5
60.06558	0.5
61.07739	0.5
67.05479	2.8
69.07057	9.6
71.48032	0.7
79.05478	3.6
80.19170	0.5
81.07046	6.4
82.07365	0.5
83.04974	3.6
83.08609	0.6
85.02886	0.9
85.06568	0.7
86.09693	100.0
87.10027	2.1
91.05472	9.0
93.07029	11.3
93.07577	0.9
95.04945	2.3
95.08595	2.1
97.06544	0.7
105.03403	1.6
105.07018	14.1
106.07371	0.7
107.08592	3.8
109.06507	8.5
109.07195	1.0
109.10137	1.5
111.08077	3.9
117.07000	0.5
119.08566	5.0
121.10135	0.9
123.08057	1.4
123.11674	1.2
128.10689	4.3
129.07011	1.0
131.08539	4.0
132.10185	31.7
133.06494	1.0
133.10106	19.1
134.10400	0.6
135.08044	0.6
137.05954	0.7
138.52890	0.4
145.10083	0.7
146.05991	0.8
147.11658	13.3
148.11139	3.1
149.09618	1.2
149.13211	1.0
151.07556	3.0
151.11160	39.6
152.11543	1.6
156.10193	1.7
157.10114	0.5
163.03926	1.2
165.12727	2.0
171.08002	0.6
175.07474	1.2
175.11162	4.0
177.05458	0.5
178.05881	0.9
193.12244	4.4
210.14810	0.6
222.14827	1.1
240.70905	0.5
260.20096	6.9
278.21109	29.8
279.18759	0.5
279.21347	3.1
306.20618	7.6
324.21637	24.3
325.21906	2.4
325.25278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1953
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
51.02357	0.3
53.03928	0.7
55.05520	0.2
67.79464	0.2
77.03909	0.3
79.05480	13.9
85.02885	0.3
91.05479	0.5
93.07024	1.5
94.05519	0.2
95.04945	1.0
99.26775	0.2
103.05451	30.0
104.05769	0.6
105.07018	2.5
107.04939	16.9
108.05216	0.3
118.06528	4.4
121.06474	1.2
121.10142	0.2
124.86362	0.2
131.04907	9.9
132.08087	1.5
133.08839	0.8
134.09604	0.3
134.95337	0.2
144.08138	0.3
146.09593	1.2
147.10411	0.3
149.05975	0.7
160.11176	0.6
163.03906	1.4
176.14320	39.7
177.14680	1.2
189.15038	0.5
204.10237	0.2
218.11736	0.2
233.14084	0.6
280.13257	0.4
294.14917	0.2
324.19531	100.0
325.19858	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	324.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
55.05496	2.5
57.03434	1.9
57.07079	3.6
61.02903	1.1
67.05489	1.0
69.03425	2.9
69.07063	1.3
70.05179	3.7
70.06585	0.8
71.04988	14.4
73.02912	1.0
73.06534	2.3
79.05485	1.0
81.03414	2.9
81.07042	1.5
83.08604	2.1
84.08104	0.7
85.02893	9.5
85.06505	0.6
87.00868	0.8
87.04459	0.8
87.08083	1.1
89.03905	1.6
91.05465	1.9
93.07018	1.6
94.06561	1.5
95.04975	0.7
95.08566	1.0
97.02888	1.6
97.10142	0.7
98.21362	0.7
103.05441	0.7
107.08580	1.2
108.08096	0.5
109.02861	1.5
109.06541	0.5
109.10135	6.9
110.07137	0.7
111.08029	0.7
117.03355	1.9
119.08544	0.7
119.44772	0.6
120.04455	1.0
121.10123	1.3
127.03894	2.0
127.11180	25.3
133.02847	2.6
133.10056	0.7
135.04399	4.0
137.05946	1.8
145.02849	2.8
145.04893	2.0
145.12222	100.0
146.05988	3.2
146.12601	1.7
147.08057	0.7
149.09605	1.1
152.39598	0.7
156.04416	0.8
163.03886	24.5
174.05473	2.0
175.03868	0.9
175.07556	1.1
181.05040	0.8
192.06517	2.2
201.05420	0.8
202.04988	2.3
204.09035	0.7
222.14839	0.8
233.05998	1.2
265.08847	0.7
280.19028	2.8
307.07959	2.9
324.18106	1.1
324.21677	5.0
325.10306	2.3
325.14365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76735	3.6
53.03958	3.5
55.01886	3.5
55.05502	45.5
57.07066	79.3
58.93578	3.2
65.83109	3.2
67.05497	26.3
69.07059	100.0
69.46828	40.5
71.04958	6.6
71.08618	70.1
72.38075	2.7
77.43433	2.9
79.05472	9.4
81.07044	76.6
83.08607	69.7
85.06538	8.2
85.10161	34.4
86.51411	3.0
91.05479	15.3
93.07024	24.5
95.08590	75.3
97.06505	17.1
97.10158	58.1
98.21464	6.4
99.04438	4.4
99.08049	3.1
101.06010	4.2
105.05896	3.0
105.07016	25.4
107.08573	30.8
109.10139	46.7
111.08075	6.3
111.11719	34.9
113.13219	3.6
115.07536	14.1
119.08572	28.2
121.10134	27.1
123.08040	12.9
123.11687	25.1
125.09608	4.9
125.13261	13.3
129.09111	9.9
133.10120	24.9
135.11656	19.0
137.09618	8.2
137.13234	14.0
139.11174	5.2
139.14822	7.1
141.09103	6.9
143.10693	5.0
145.10094	3.7
147.11679	25.6
149.09660	4.5
149.13248	11.4
151.11182	14.8
151.14813	6.5
155.10634	8.0
159.11649	3.6
161.13235	24.9
163.14842	8.4
165.11552	4.5
165.12700	20.3
169.12201	10.3
171.13742	4.8
175.14799	10.2
177.16304	5.8
179.14285	24.0
183.13858	11.6
189.16347	6.7
193.15875	12.0
197.15387	10.2
207.17467	5.5
208.40773	3.6
211.16859	3.7
217.19556	4.7
231.21118	4.0
242.18405	3.8
249.22162	6.5
263.27383	15.8
287.27295	14.9
305.28409	17.2
323.20065	6.2
323.23618	10.5
323.26831	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01866	14.8
55.05502	28.5
57.03423	6.3
57.07064	3.7
59.04982	1.9
65.03935	2.5
66.27175	1.8
67.05494	73.1
69.03403	5.8
69.07059	27.6
71.04971	4.3
71.08619	3.3
71.79674	2.8
71.94055	2.8
73.06539	2.2
79.05484	47.2
81.03395	5.3
81.07044	91.4
83.01333	4.5
83.04965	23.3
83.08621	11.8
85.02873	3.0
85.06524	11.0
91.04910	3.1
91.05466	54.3
93.07033	59.9
95.04956	17.9
95.08597	32.8
96.08919	2.5
97.02861	3.0
97.06493	9.4
97.10149	3.7
99.08070	4.8
105.07016	57.9
107.04935	13.4
107.08582	55.4
109.06512	14.6
109.10144	59.8
110.10509	2.6
111.04427	7.1
111.08096	9.2
111.50694	1.9
115.07523	3.0
117.06992	11.6
119.08548	20.4
120.10754	1.8
121.06511	14.6
121.10126	18.4
123.04430	2.5
123.08049	5.3
123.11689	19.9
125.05941	2.3
125.09581	3.4
129.06956	5.7
130.97751	3.1
131.04848	2.3
131.08540	19.9
133.06444	12.9
133.10114	100.0
134.10443	4.5
135.08020	8.3
135.11655	12.3
135.43361	2.0
137.05983	4.9
137.09557	4.0
139.07523	7.3
139.11095	2.6
143.08546	10.5
145.06459	2.1
145.10104	16.9
147.08076	9.3
147.11646	8.4
149.09593	17.0
149.13220	3.5
151.11163	92.6
152.11491	2.8
154.35704	1.9
157.10077	10.5
159.08029	8.6
159.11681	7.9
161.09630	14.4
161.13217	6.8
163.11134	8.0
165.09186	2.5
169.10069	2.6
171.11650	9.0
173.09544	2.5
173.13240	2.7
174.05508	3.3
175.11234	8.8
175.14766	2.6
177.09074	18.3
177.12674	2.9
179.10632	12.2
181.08595	2.3
181.12163	2.8
183.11911	2.7
183.13762	30.1
185.13220	3.4
189.12706	5.2
193.12157	2.1
199.11176	2.2
199.14857	3.0
202.04971	3.9
203.17973	2.6
207.13753	3.3
211.14868	2.0
213.12578	2.1
217.12299	2.4
223.13147	2.1
226.44995	2.2
227.17921	4.2
229.14363	5.2
231.13757	2.0
245.19002	14.2
255.17354	6.2
263.20032	16.9
273.18457	34.1
274.18835	2.8
291.19489	58.3
292.19839	4.8
305.21063	29.5
306.21530	2.2
323.22147	33.2
323.26007	10.4
324.22607	2.9
326.18307	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01861	15.1
55.05502	44.7
57.03419	7.6
57.07056	3.3
59.04986	4.5
65.03926	3.4
67.05492	92.7
69.03410	7.8
69.07059	31.4
71.04978	8.8
71.49024	4.4
71.49392	5.2
75.31550	2.5
79.05480	57.0
81.03384	5.2
81.07043	97.9
83.01334	5.5
83.04968	29.1
83.08613	19.3
85.02913	4.4
85.06532	9.0
91.05466	72.9
93.07030	80.6
95.04970	16.6
95.08593	54.7
96.08943	3.2
97.06498	13.4
97.10162	7.2
97.35835	2.3
99.31080	2.5
105.07016	62.9
107.04910	16.1
107.08567	60.3
108.08857	3.4
109.06496	16.3
109.10146	72.8
111.04432	8.8
111.08059	19.5
113.05937	2.9
117.06980	17.9
119.04835	3.3
119.08562	36.8
121.06486	25.2
121.10099	20.5
123.04460	5.3
123.08054	11.5
123.11674	22.5
125.05963	3.8
128.06215	5.0
129.06990	11.5
130.75223	2.5
131.08578	25.3
133.06491	19.1
133.10104	100.0
134.10484	4.1
135.08047	12.9
135.11641	14.1
137.05980	6.1
137.09619	10.2
137.84190	2.6
139.07529	10.5
143.08522	14.2
145.10103	22.1
147.08026	17.8
147.11676	12.7
149.09613	17.7
151.11151	90.5
152.11476	4.0
153.09155	4.1
155.08606	4.2
157.10083	9.4
159.08058	6.6
159.11681	10.7
161.09583	20.3
161.13243	7.8
163.11150	6.7
165.09102	3.6
165.12756	4.7
171.11646	13.2
173.13252	6.1
175.11127	15.3
177.09111	15.8
179.10622	16.3
181.08588	3.6
181.10158	3.1
183.13782	33.4
185.13297	8.7
187.14725	5.1
189.12717	6.7
195.11798	2.7
199.11217	4.3
203.14268	5.6
205.84509	2.7
207.13744	4.9
211.13152	5.5
213.12741	4.9
217.12206	4.5
223.13300	6.2
224.95059	2.6
227.17966	4.0
229.14310	4.2
245.19005	23.2
255.17387	4.0
263.20084	22.2
273.18460	66.5
277.21744	3.5
285.07822	3.2
291.19492	97.8
292.19839	10.4
305.21133	18.3
323.22183	46.5
323.26288	5.0
324.22458	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	323.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
71.77834	1.3
71.78282	2.1
84.20144	1.2
85.79610	1.2
96.08110	24.8
109.09992	1.2
114.09149	100.0
115.09473	5.6
119.01937	1.3
143.01894	5.1
155.01888	1.5
160.09654	7.3
161.02925	6.3
161.09999	9.9
161.99478	2.5
172.08194	4.6
173.02975	4.3
182.06735	1.3
198.75386	1.4
200.07724	6.8
203.03940	4.5
208.08459	1.2
218.08626	1.7
233.05144	1.5
245.11324	1.3
263.06241	1.4
295.14996	32.4
318.44843	1.2
323.07346	56.0
323.14951	14.1
324.07578	2.1
327.93616	1.1
341.15512	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
55.05500	5.5
56.96558	1.1
57.03148	1.7
57.03426	28.0
57.07080	1.6
57.84464	0.7
65.03927	1.5
67.05492	26.2
68.05820	1.1
69.03407	1.6
69.07058	5.3
71.04973	3.7
79.05489	11.2
81.03375	1.1
81.07042	9.8
83.04963	1.5
83.08607	3.3
85.06529	27.7
91.05466	8.9
93.07021	9.4
95.04951	40.6
95.08585	6.2
96.05273	1.3
97.06503	2.2
97.10147	1.2
99.04410	0.8
105.07009	9.1
107.04953	3.3
107.08570	8.0
108.94352	0.8
109.06503	27.3
109.10144	3.5
110.06891	1.0
111.04402	1.1
111.08061	1.2
113.05986	100.0
114.06322	2.6
117.07038	4.1
119.08549	6.0
121.06493	2.8
121.10117	3.8
123.08041	2.2
129.06976	4.3
131.08557	6.3
133.06564	1.2
133.10098	4.3
135.08032	20.3
135.11652	3.8
136.08380	1.1
137.05931	0.9
143.08459	3.9
145.10106	5.8
147.08018	2.7
147.11638	2.0
149.09610	2.9
149.13242	1.5
153.12753	0.9
157.10089	4.3
159.11668	3.3
161.09569	3.1
163.11255	2.0
167.37257	0.9
169.10135	1.2
171.11626	1.5
173.13225	1.4
175.11087	1.5
177.12704	1.9
181.10091	1.0
183.11650	1.6
185.13177	2.0
195.13821	1.5
197.13341	0.9
199.14796	2.2
213.16498	0.9
217.15799	6.8
219.13766	1.0
233.15393	1.3
237.16422	1.0
245.19031	0.8
255.17384	1.7
273.18472	14.7
274.18787	1.2
280.14987	2.1
282.97626	0.9
291.19498	38.3
291.65820	3.7
292.16559	1.2
292.19684	4.8
305.21085	5.5
323.23196	1.7
323.26968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42477	1.1
56.96569	5.9
70.13628	5.1
71.95253	1.1
77.46535	0.8
78.74972	1.0
98.97566	60.5
101.82629	1.0
116.98607	51.8
117.69880	1.1
134.99634	28.5
140.00188	1.5
153.00697	4.0
169.49149	1.0
208.56104	0.9
216.98723	1.2
219.02005	3.4
220.02249	1.7
234.99608	1.6
240.98618	6.2
258.99722	53.6
259.99878	5.5
263.06079	1.5
277.00772	100.0
278.00867	9.0
282.01352	1.1
282.97021	1.2
295.01846	1.4
299.99100	1.4
300.02194	4.7
300.18332	1.9
301.01059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1645
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
56.91594	0.2
57.47507	0.2
68.05034	0.6
71.57146	0.5
79.05484	1.5
80.04996	0.3
81.05801	1.2
83.04984	1.4
94.06562	0.9
96.08118	3.7
99.89729	0.2
103.05460	4.5
107.04948	2.1
114.09154	100.0
115.09498	2.3
121.06569	0.2
131.04944	1.5
132.06795	0.2
133.29556	0.2
174.11243	27.3
175.11549	0.9
243.93588	0.2
322.16449	55.4
323.13019	0.3
323.16815	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	322.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
53.70417	0.5
55.01865	0.8
55.05504	6.3
57.07071	0.7
60.04524	0.9
62.06079	100.0
65.03925	0.8
67.05493	15.1
69.03400	0.7
69.07056	5.2
75.95118	0.5
77.33233	0.5
79.05482	10.1
81.07043	15.7
82.78141	0.5
83.08619	2.4
91.05472	4.1
91.51443	0.5
93.07032	11.4
95.04942	1.2
95.08595	12.7
97.06550	0.8
97.10170	3.3
97.10703	0.5
97.85571	0.5
98.06057	0.7
105.07005	3.0
107.08578	7.8
109.10128	5.7
109.10741	0.5
117.07044	1.6
119.08537	3.1
121.10096	4.8
123.08083	1.1
123.11720	2.4
123.38573	0.5
125.09646	1.5
126.87133	0.5
131.08539	2.7
133.10152	1.7
135.11661	3.0
137.09621	0.7
137.13266	0.8
145.10170	1.8
147.11725	2.0
149.13287	2.7
159.11725	1.0
161.13307	1.2
163.14804	0.9
172.13310	0.6
173.13297	0.6
177.12930	0.7
177.16438	0.9
186.14970	0.6
200.16518	1.3
201.16475	0.6
203.12756	0.9
214.18062	1.0
223.13371	1.4
226.18178	0.7
228.19467	0.8
243.21152	1.5
261.22009	2.8
291.19489	11.2
304.26395	2.2
305.21158	2.4
305.24857	1.9
322.27362	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	322.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05499	5.9
57.03154	0.8
57.03428	10.6
67.05494	0.8
68.08970	0.6
71.04964	0.9
71.79387	1.3
74.08298	0.7
76.18143	0.6
79.05478	0.8
80.04993	1.1
81.07036	1.6
82.06557	2.5
83.04946	0.8
84.04484	1.5
85.02892	19.2
91.05441	2.2
93.07010	3.5
94.06560	7.3
95.08575	0.8
99.47735	0.6
105.06999	1.4
106.06515	2.0
107.07343	0.9
107.08565	1.5
108.08105	1.0
117.03343	0.8
117.05785	0.8
117.06994	1.5
118.06522	2.3
119.08570	3.4
120.08084	6.7
121.08878	0.9
121.10150	1.2
122.09645	4.0
122.10402	0.6
122.85873	0.6
129.06973	1.1
130.06511	1.2
131.07286	1.2
131.08473	0.8
132.08092	6.2
133.06453	0.9
133.08937	0.8
133.10028	1.0
134.06062	0.7
134.09636	11.4
135.10442	1.8
136.11186	5.0
138.09125	1.8
143.08527	0.7
144.08052	1.9
145.02829	1.1
145.08832	1.9
145.09962	0.8
146.09602	4.6
147.10391	0.8
148.07542	4.4
150.09123	3.8
157.10114	1.4
158.09607	4.8
159.10394	1.9
160.07533	2.4
160.11171	5.8
161.05981	0.7
161.08289	1.1
162.09122	2.4
164.07043	1.2
166.08644	0.7
172.07491	1.5
172.11105	0.7
174.09132	1.6
174.12726	6.9
176.10686	2.1
177.05431	3.3
178.08630	5.3
180.06552	1.0
184.11244	1.2
186.09148	1.9
188.10718	4.6
190.08517	1.3
190.12181	1.0
191.13016	2.5
192.06514	3.1
192.13809	8.6
194.08104	3.3
200.10725	0.8
201.11504	1.0
202.12254	5.3
204.10170	11.8
205.07358	1.4
206.08113	12.0
206.11754	2.1
210.07591	1.0
212.14352	0.8
216.10156	2.3
216.13870	2.4
218.11789	1.6
219.12341	0.9
220.13274	6.5
221.13570	0.7
224.09140	3.7
229.10912	1.1
230.11710	1.1
230.15356	5.5
231.15935	0.9
232.09647	3.5
234.11227	11.8
240.13750	1.2
246.11334	0.8
248.12779	4.4
250.10748	11.3
251.11053	0.9
252.12267	4.2
258.14886	14.5
259.15237	0.8
262.10690	13.9
266.13849	8.8
276.15915	19.8
277.16113	1.7
280.11746	8.7
286.14362	2.7
304.15384	21.6
305.15631	1.2
321.90851	0.9
322.16437	100.0
323.12994	1.2
323.16748	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	322.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63247	0.4
55.01864	0.8
56.96556	11.2
57.03432	3.0
57.04554	3.4
61.02914	3.0
66.71507	0.4
68.05018	0.8
69.03419	9.6
70.06570	1.3
70.23080	1.9
70.98104	1.9
71.01334	0.4
71.04972	1.4
71.95238	0.6
73.02914	2.4
74.07191	0.9
74.97579	1.3
81.03404	2.6
84.04492	0.9
84.08137	3.4
84.96018	1.6
85.02893	15.5
86.06055	33.6
86.09692	0.7
87.04456	20.1
88.99139	1.2
91.03906	0.4
96.08127	0.7
97.02882	5.0
97.07623	1.3
98.06017	0.6
98.21270	0.7
98.97567	18.1
99.04428	1.6
100.99119	0.4
101.00877	2.7
101.02369	0.7
102.00938	2.4
103.00600	1.2
104.07088	3.7
109.02849	3.9
109.95776	0.4
110.73797	0.4
110.97558	1.6
111.05535	1.6
112.07565	0.5
112.99151	1.0
113.00839	0.4
114.00942	0.8
114.09149	17.5
114.97014	0.7
115.02426	1.0
116.02518	0.8
116.07079	0.4
116.98602	12.3
119.01895	6.9
120.01986	8.3
121.01641	4.9
123.03221	0.5
124.95448	1.0
125.07092	6.6
127.03891	3.9
128.07062	1.4
128.08179	1.2
128.98573	2.6
129.05515	0.9
129.06497	0.8
130.08614	4.1
131.00166	1.2
131.01897	2.4
132.01996	2.1
132.10185	0.8
132.98061	1.7
133.01663	1.3
133.03432	1.8
134.03557	3.9
134.99631	4.8
135.03163	2.8
137.02924	1.6
138.03006	2.4
139.02679	1.0
140.98607	0.7
142.08740	0.5
142.09702	2.1
142.96495	1.0
143.00075	1.1
143.01912	1.0
143.08173	1.0
144.02019	1.2
144.98091	1.0
145.01628	1.1
145.03456	0.8
145.04961	1.6
146.03574	1.0
146.08089	2.8
146.09236	2.4
146.99629	3.1
147.03235	1.0
147.05003	0.5
148.05211	0.4
149.01208	0.7
149.02931	0.5
149.04604	0.5
150.01764	0.5
150.99126	3.6
151.02686	0.5
152.04582	0.5
152.98544	0.5
153.04253	0.5
155.01834	1.0
156.02071	1.6
156.03337	0.4
157.01613	0.6
158.03566	0.7
158.99675	2.3
159.03127	0.5
159.05035	0.9
159.06371	0.5
160.05139	1.7
160.09657	8.2
160.10822	10.3
160.97516	1.0
161.01186	1.6
161.02954	2.0
161.04752	0.6
162.03104	2.4
162.99127	1.2
163.02699	1.5
165.00688	1.3
169.00061	1.5
169.99951	1.5
170.95998	1.1
170.99609	1.4
171.05089	0.6
172.01483	0.7
172.05226	1.8
172.97527	0.6
173.01376	0.8
173.02914	1.9
173.04549	0.7
174.03062	2.1
174.06853	0.6
174.99138	1.6
175.02776	1.1
175.04643	0.4
176.04692	1.0
176.09155	0.5
177.00687	2.9
177.04257	0.5
178.02655	0.6
178.06180	0.9
184.97519	1.2
187.00873	1.4
188.00954	3.6
188.97031	5.5
189.00676	3.9
189.02289	0.8
190.02588	1.6
190.04158	0.4
190.06209	1.4
190.98625	1.1
191.02274	2.0
191.04060	1.0
191.05757	0.6
192.04156	1.8
193.00195	4.6
193.03831	1.1
197.99348	1.1
198.99138	0.8
201.00671	0.8
202.02596	0.8
202.06316	1.0
202.11839	2.4
202.98611	2.7
203.02238	0.8
203.04001	0.5
204.04079	0.6
205.00157	0.7
205.01895	1.0
205.03716	0.5
206.02147	1.6
206.98152	3.4
207.01707	2.0
211.01216	0.9
212.97018	0.6
214.06192	0.5
214.98491	0.5
215.00381	1.5
216.00502	5.4
217.00084	3.1
219.01633	2.8
219.05428	0.4
220.03958	2.1
220.07449	0.8
220.99690	3.7
221.05017	1.2
221.06958	0.5
222.05199	3.6
223.05013	0.7
226.02180	0.8
230.01982	2.9
230.10223	1.4
230.98155	3.9
231.01614	0.8
232.12965	1.4
233.03215	0.5
234.05186	2.5
235.01100	0.7
235.04933	1.4
237.02805	4.3
239.00810	1.2
244.99722	1.8
247.02956	1.5
248.03152	9.0
248.11267	1.8
248.99156	1.8
249.02756	3.2
251.00835	0.4
251.04163	2.2
255.09885	0.5
262.08359	3.7
262.13898	3.7
263.00748	7.2
263.04355	1.1
263.08109	1.0
263.14044	0.4
266.04144	1.7
266.12277	1.6
267.00204	0.6
269.05453	0.5
273.10635	0.5
279.09213	0.7
280.09357	6.1
281.01773	4.3
281.05408	3.4
281.09100	1.8
287.12610	0.8
290.04233	1.5
290.13562	0.7
293.05441	0.6
295.07144	0.7
299.02820	1.2
304.15045	2.6
322.07022	2.1
322.10281	7.4
322.16010	100.0
323.06415	2.7
323.10349	2.5
323.16251	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	322.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30478	0.5
52.53983	0.5
55.01859	1.2
56.96523	0.4
57.03414	1.8
57.04537	1.9
61.02907	1.2
68.05002	1.0
69.03418	8.8
71.78600	0.7
73.02899	1.3
81.03392	2.0
81.05779	0.8
81.16973	0.4
83.04944	0.8
84.08145	0.4
85.02889	14.0
86.06052	17.2
87.04449	10.5
96.08119	2.5
97.02880	3.2
97.07742	0.4
98.97535	0.8
99.04426	1.3
103.03927	0.5
104.07114	2.0
109.02847	1.5
111.05550	0.9
114.09146	68.7
115.03917	0.4
115.09473	0.8
119.01888	0.5
121.01685	0.6
125.07101	3.0
127.03895	5.9
128.07101	1.0
128.08134	0.6
129.05453	0.5
129.06635	0.4
137.01062	0.4
142.08656	1.0
142.09752	1.4
143.01787	0.4
145.04933	2.9
146.09178	0.5
160.09660	100.0
161.02998	1.0
161.09993	2.0
166.67926	0.4
173.02937	0.6
174.11226	0.9
196.31216	0.4
202.11882	1.7
203.04068	0.6
230.10254	0.5
232.12920	1.0
248.11340	1.4
262.14011	1.7
266.12424	0.8
273.10919	0.5
274.04376	0.4
286.12921	1.1
295.15076	1.2
301.25119	0.5
304.14511	1.9
322.05478	1.6
322.15839	62.9
323.07272	3.9
323.16013	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	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84705	1.3
53.03919	2.8
55.01851	4.3
55.05497	3.6
57.03439	6.8
59.36879	1.6
62.25480	1.3
65.03918	1.5
67.05479	5.9
69.03423	6.6
69.07043	5.3
69.56231	6.2
69.56667	7.9
71.01347	2.3
79.05474	17.8
81.03369	1.9
81.06594	2.3
81.07046	34.3
83.04972	2.8
85.02898	8.4
90.11049	1.1
91.05483	9.9
93.07045	7.4
95.01316	9.7
95.04955	5.8
95.08595	1.8
97.02869	2.1
97.06522	17.4
98.21442	3.4
99.18521	1.3
105.06985	4.3
107.04948	2.5
107.08551	2.8
109.02883	2.1
109.06513	20.1
109.10110	1.9
111.04427	1.9
111.08101	2.3
112.97029	1.4
113.02329	2.4
114.09145	2.5
115.05417	2.1
117.07015	3.8
119.04911	3.8
119.08541	7.2
121.06443	3.7
123.04422	1.7
123.08063	3.1
125.02357	1.6
125.05945	2.6
131.08568	1.9
133.06471	2.3
135.08040	2.8
137.05968	7.7
139.03889	8.3
139.07501	1.8
141.01781	4.1
143.06992	1.6
145.06464	1.9
147.08000	9.3
149.05998	2.2
151.07465	2.6
155.06987	3.8
160.09663	5.1
161.05898	2.8
163.07491	6.1
165.09084	19.1
167.07071	3.6
172.79271	1.4
173.04419	1.7
175.07581	4.4
178.05951	2.3
179.06947	2.2
181.08578	5.1
183.10121	3.6
191.06909	2.2
193.08601	15.9
195.12589	1.4
197.04424	4.2
199.09697	4.7
202.05022	2.0
209.08076	8.3
211.09645	10.7
227.09117	6.7
231.07919	1.6
237.07567	4.2
248.08148	1.8
255.08611	100.0
256.08902	3.6
263.06906	1.9
263.10556	1.6
273.09692	4.2
275.06802	1.6
290.12378	8.8
291.10040	4.4
302.37711	1.4
304.11655	4.6
322.15115	2.8
323.09052	2.3
323.12683	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	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56593	1.2
55.01863	4.5
55.05500	3.5
55.38640	1.3
57.03424	3.8
61.15502	1.2
67.05485	3.3
69.03424	6.2
69.07043	4.8
70.06335	5.6
71.01332	2.1
79.05481	18.6
81.03407	1.9
81.07037	22.6
83.04964	2.1
84.16364	1.3
85.02886	5.3
91.05471	9.6
93.03370	1.5
93.07018	5.4
95.01324	9.7
95.04958	6.1
95.08616	2.3
97.02876	2.1
97.06509	14.3
103.05441	2.4
105.06998	3.6
107.04931	5.8
107.08572	2.3
107.18566	1.3
109.06512	13.9
109.10154	2.0
111.04455	2.6
113.02364	3.5
114.09159	1.4
115.05450	1.6
117.07009	3.4
118.44041	1.1
119.04916	3.9
119.08553	7.1
121.06524	7.1
123.04411	3.8
123.08054	1.5
125.05947	1.7
126.17082	1.4
131.08525	1.6
133.06458	2.6
135.08063	3.1
137.05971	5.0
139.03880	6.8
139.07542	2.7
141.01825	2.3
141.05458	2.9
141.09177	2.2
145.02740	1.4
145.06465	1.7
146.05960	1.6
147.08069	8.0
149.05977	5.8
151.03848	2.4
151.07460	1.6
155.07079	2.2
159.02815	1.6
160.09711	2.3
161.05928	1.7
163.03896	1.6
163.07536	9.1
165.05455	1.6
165.09087	15.7
167.07048	3.8
173.05960	2.2
174.05486	2.5
174.40353	1.3
175.07532	3.4
177.05452	3.2
178.05725	1.4
181.04933	1.9
181.08586	6.0
183.10138	6.6
188.57870	1.4
191.07030	2.1
193.08554	14.1
197.04453	5.7
202.04961	3.7
209.08052	7.2
211.09628	17.4
213.07533	2.3
218.04344	1.6
219.06514	2.3
224.90141	1.4
225.07620	1.9
227.09213	4.5
237.07545	7.1
255.08612	100.0
256.09006	3.6
269.10107	2.4
273.09683	29.0
290.12292	3.4
322.15103	5.4
323.10129	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	322.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56726	1.3
55.01862	4.5
55.05503	4.1
57.03423	4.7
57.57471	1.4
67.05489	4.6
69.03410	5.2
69.07060	2.8
71.58065	2.1
71.58390	1.8
74.82030	1.2
79.05481	14.5
79.44080	1.3
81.07040	22.2
83.04961	2.8
85.02888	4.8
91.05450	7.4
93.07008	7.7
95.01316	10.8
95.04953	6.8
97.06513	13.7
105.07011	3.7
107.04931	5.7
107.08545	1.9
109.06493	14.3
109.10175	1.8
111.04440	2.3
111.08061	2.5
113.02381	1.7
115.05418	1.4
117.06995	3.0
119.04903	3.0
119.08572	5.9
121.06496	5.8
123.04423	2.7
123.08013	2.4
125.05984	2.9
129.06982	2.3
131.08534	1.8
135.08034	4.3
137.05962	5.1
139.03920	6.5
139.07559	1.9
140.88994	1.4
141.01805	3.8
141.05415	2.2
147.08005	9.3
149.05971	8.1
151.03848	1.8
151.07487	1.8
155.07007	3.2
161.05975	2.1
163.07532	10.4
165.09108	19.6
167.07034	2.2
173.04514	1.6
173.06026	1.4
175.07561	2.0
177.05522	1.3
178.87961	1.5
181.08545	7.6
183.10141	5.3
191.07007	6.0
193.08559	16.4
197.04401	7.7
199.09639	5.3
202.04976	2.7
209.08049	9.0
211.09624	12.1
219.06462	1.9
225.07463	1.6
227.09158	3.9
237.07463	6.6
255.08600	100.0
256.08865	2.9
264.05005	1.5
269.10193	4.3
273.09650	15.9
322.14572	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	322.128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.5
66.42914	0.3
67.05492	8.3
69.07060	2.0
70.06580	100.0
71.06903	1.5
71.17939	0.5
71.18270	0.5
72.08144	0.3
79.05481	1.2
84.08149	1.5
85.02936	0.5
91.11144	0.3
91.15787	0.2
94.06544	3.0
95.04951	11.2
103.05450	4.1
107.04932	2.1
110.07147	0.4
112.07584	18.4
113.05996	0.6
113.07946	0.7
114.09157	0.6
122.27634	0.3
130.08612	2.0
131.04900	1.9
137.06018	0.3
142.06520	0.4
149.05951	0.5
149.73351	0.3
160.07622	0.9
160.09718	0.7
163.04015	0.4
171.86948	0.3
174.05914	0.3
174.07587	0.4
174.11121	0.3
195.06483	0.3
255.08670	0.8
260.12775	0.4
278.13831	18.5
279.14297	1.0
322.12808	8.0
322.16397	1.0
323.13031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05486	0.3
69.03418	0.4
69.17674	0.3
70.00484	1.9
70.00909	0.5
73.24319	0.3
81.03410	1.5
81.07029	0.6
91.05484	1.7
93.01735	0.4
94.90594	0.3
98.21413	0.6
100.37507	0.3
105.07011	0.3
105.53232	0.4
107.08584	0.4
109.02868	0.6
109.10208	0.4
115.05434	2.2
117.03352	0.6
117.05740	0.4
117.07005	2.5
118.06523	42.6
119.07368	2.7
130.06528	0.6
132.08080	0.8
134.09633	100.0
135.09987	1.4
142.06485	4.6
143.07292	3.6
144.04413	0.4
144.08067	21.7
145.02840	1.4
145.06473	0.5
146.05986	92.0
147.06316	1.8
155.05984	0.5
160.07588	1.2
170.06004	7.0
174.09088	1.1
177.05457	2.9
188.07042	94.4
189.07420	2.1
192.10138	2.2
321.09888	1.3
321.15909	20.4
322.16330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04505	0.6
69.03397	0.2
69.04932	0.2
69.07066	0.3
72.04501	0.5
79.05476	0.6
81.03403	0.9
81.07040	0.9
86.09691	99.4
87.10012	2.2
87.86274	0.3
91.05463	0.5
93.07037	1.1
95.08585	0.6
100.99632	0.3
103.05449	3.7
105.04453	0.3
105.07037	0.4
107.04935	1.1
107.08564	0.4
109.02885	0.4
109.10151	0.5
117.03381	0.6
119.08549	0.6
120.08083	100.0
121.08416	3.1
121.10111	0.5
128.10696	50.9
129.11043	1.4
131.04875	2.2
135.41118	0.3
145.02823	1.0
149.05920	2.0
150.12187	0.3
156.10178	16.9
157.10435	0.6
166.08609	65.8
167.09004	2.0
177.05435	1.4
177.12424	0.3
230.82088	0.3
289.08545	0.5
304.11993	0.3
321.09918	0.5
321.17700	0.3
321.24255	0.4
341.30374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93608	1.3
55.01873	3.3
56.96563	1.5
57.03431	22.2
61.02917	4.2
67.05496	4.7
69.03427	10.6
69.07061	3.0
70.06587	40.1
70.89066	4.1
71.01349	17.9
71.04984	65.2
72.05341	1.9
72.08148	3.0
73.02909	30.9
75.04474	5.2
79.05466	2.4
81.03410	3.4
81.07032	2.2
83.01338	4.6
83.04969	3.8
83.61226	1.5
84.04496	2.8
84.08141	4.1
85.02896	60.6
85.06527	1.6
86.09757	1.8
89.02381	1.3
89.06022	24.0
91.05476	1.5
95.01323	15.9
95.04993	6.5
95.08607	3.1
97.02879	22.9
99.00780	7.0
99.04456	3.9
101.02357	7.2
103.03948	9.6
103.05450	3.5
105.25727	1.8
109.02869	2.9
110.07206	2.3
112.07591	7.6
113.02361	22.9
114.09139	4.3
115.03916	1.9
120.08070	2.1
123.00771	1.6
123.04439	3.0
127.03898	1.8
131.03387	15.8
136.07599	1.6
141.01819	30.8
141.09102	1.9
145.04936	2.4
145.08580	100.0
146.08974	3.8
147.04399	3.7
151.03966	1.9
153.05457	1.9
159.02875	8.7
159.06564	3.9
160.07564	1.8
160.09682	5.4
162.05571	1.4
163.03856	2.2
163.09654	9.3
167.07088	1.9
169.04974	4.0
174.26170	1.3
183.06506	1.6
187.06000	4.1
187.09665	12.9
189.10201	13.2
195.02977	2.3
197.04385	3.1
203.03423	2.5
215.03677	1.7
215.05466	8.1
229.07065	2.9
229.10638	2.4
267.11264	2.7
272.07495	1.3
275.05600	1.8
275.09082	1.7
278.13828	2.0
285.09576	2.1
285.12378	4.5
303.05148	2.1
303.10687	8.6
303.13635	4.4
321.06036	3.0
321.11667	16.1
321.14816	6.0
321.17987	2.6
322.12659	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
56.96558	1.9
57.03426	1.2
61.02915	0.7
66.44459	0.8
69.03413	1.2
70.06577	4.9
70.98724	1.6
70.99100	1.5
79.05475	0.9
81.03400	2.3
83.04903	0.7
84.04495	4.1
84.08124	1.0
85.02901	4.5
86.09701	2.6
94.06554	7.2
95.07346	0.9
96.04475	5.5
96.08102	2.7
97.02883	1.9
98.06039	6.8
98.97562	4.5
102.05542	1.1
108.08081	0.8
109.02868	3.5
110.07178	0.7
110.97538	0.6
112.07575	1.2
114.05517	18.1
116.07080	1.4
116.98605	2.3
122.05994	2.5
128.98604	1.3
130.08635	2.4
136.99707	0.7
138.09094	3.8
140.07050	56.3
141.05440	1.6
145.04909	0.8
147.04395	0.8
158.08115	100.0
158.99713	1.3
159.08453	1.9
168.10139	1.3
173.12840	1.7
177.00693	1.8
188.78912	0.7
191.40460	0.7
202.02542	0.7
237.02809	1.8
240.12321	1.7
258.13370	4.6
279.04382	0.9
279.07504	4.0
297.08472	0.8
302.12314	2.6
319.07120	1.1
320.16980	1.3
321.08905	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	320.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05501	2.3
56.96550	23.4
62.71993	2.4
66.94922	2.3
67.60799	2.4
69.93043	17.1
72.08128	3.5
80.40121	2.4
84.08148	4.3
84.76582	2.8
84.96003	6.1
85.26268	2.2
86.32683	2.4
91.76009	2.3
94.93015	4.8
98.97561	62.7
110.97491	3.6
111.05545	3.6
112.89586	38.1
114.89336	14.4
116.89095	3.5
116.98599	40.6
119.01907	5.3
123.05504	5.1
124.99087	3.8
128.98587	7.0
131.00264	2.7
134.99651	18.0
137.81313	2.4
140.00224	3.3
141.06552	7.2
143.00140	11.8
146.99608	6.5
153.00560	3.4
158.99670	14.0
159.07611	5.3
161.01216	9.7
161.02982	3.3
173.01353	2.8
173.02838	4.1
177.00652	19.9
189.00742	3.9
189.02411	4.3
195.01787	3.7
219.01738	28.7
219.03596	3.9
221.05055	4.6
222.02618	3.1
237.02783	80.1
245.95261	3.8
246.88213	3.8
255.03864	67.9
260.04306	4.8
273.04800	3.0
279.03839	49.4
296.03604	2.9
297.04865	100.0
298.05142	2.9
315.05911	8.2
320.06348	5.8
321.06332	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	319.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.4
53.03941	0.5
53.67567	0.5
55.01859	0.8
55.05499	1.4
56.05029	2.5
57.03434	0.5
58.99581	5.4
61.01137	0.5
64.68186	0.4
67.05486	1.3
68.05020	0.8
68.73551	0.4
68.99784	3.4
69.03413	0.7
69.07078	0.6
70.02959	0.5
70.06577	0.8
71.04971	0.4
71.25493	1.0
72.08146	0.7
74.00643	1.6
76.02223	2.6
76.04011	0.7
79.05470	1.6
80.05011	0.7
81.03411	1.5
81.07044	4.4
83.04947	0.6
84.04496	0.8
84.08129	0.4
85.01138	2.4
85.02898	18.3
86.00642	12.9
86.09695	1.0
86.99051	0.5
87.02674	1.4
88.02201	1.5
88.03992	0.6
91.05459	0.4
93.07044	0.9
94.06528	0.5
95.04973	0.4
95.08607	4.5
96.08124	1.0
97.01088	0.7
97.02861	0.5
97.06544	0.6
98.09676	7.3
99.08077	0.8
100.02177	0.7
100.07550	0.5
100.45263	0.4
101.04217	2.5
102.03732	0.5
102.05526	1.8
105.07004	1.4
109.02857	3.4
109.08916	0.5
110.09658	1.5
111.00797	3.9
111.04443	0.7
112.03941	1.0
112.85552	0.4
113.04215	7.6
114.09284	0.4
114.53371	0.3
115.05736	0.4
116.01671	2.9
121.02843	0.4
121.06483	0.8
122.09662	3.5
123.08062	3.3
125.02356	0.8
126.03168	0.8
126.05521	1.9
127.03886	0.6
127.05741	0.6
129.07336	10.2
130.04994	2.8
130.06808	0.9
130.08604	0.6
132.08133	0.4
134.55182	0.4
137.02333	3.6
137.05945	1.0
139.03920	1.0
139.05754	1.4
139.11169	0.7
141.09056	0.4
143.02721	1.7
144.01125	0.8
145.06082	0.7
146.02692	1.0
146.05969	0.9
147.04349	0.9
149.02303	0.7
149.05995	0.4
151.03844	0.5
153.01814	20.4
153.05357	0.6
154.02136	0.8
156.08412	40.8
156.10185	5.9
157.08730	1.1
159.04480	0.5
160.04292	0.6
161.05997	0.8
162.02174	1.7
163.03911	0.6
165.01820	5.6
166.02524	1.2
171.04396	0.7
175.03867	0.7
177.03281	0.5
177.05446	1.1
179.03380	2.8
179.04761	0.7
181.06689	0.5
182.04494	0.4
183.02936	1.9
183.07700	1.1
188.07111	0.7
189.03278	3.8
189.05290	2.0
190.12190	0.9
193.01239	0.8
193.05025	0.5
195.02892	1.8
198.09462	9.2
199.03868	1.1
203.03398	1.1
207.03014	0.6
213.10576	0.9
216.06982	2.0
216.10516	45.9
217.04953	8.0
217.10840	1.7
226.08957	1.3
227.03419	0.5
231.02805	0.8
235.02228	0.4
235.05984	0.5
242.08455	0.7
244.03615	1.2
244.06244	0.7
245.04442	8.6
246.04704	0.6
255.02917	0.9
259.11102	39.8
260.11398	1.5
263.05447	1.2
273.03912	9.0
273.06934	0.8
273.10156	0.6
274.04529	0.5
283.11160	0.6
290.04132	2.1
301.03354	1.2
301.06897	0.4
301.11963	1.8
319.04477	100.0
319.13144	58.9
320.04813	9.6
320.13486	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	319.132
Annotation	Coumanolignan
Peak:m/z	Relative Intensity
51.27013	0.6
53.03938	0.6
55.01860	0.7
55.05486	1.2
56.05008	1.9
57.11935	0.5
58.99561	3.2
61.01132	0.9
64.00783	0.7
64.97356	0.6
67.05469	1.0
68.05009	0.8
69.07042	1.5
69.97367	1.7
69.97784	2.2
72.08129	1.3
74.00656	3.1
76.02194	2.3
76.03960	0.9
79.05475	1.4
80.04985	1.0
81.03378	1.0
81.07053	3.5
84.04480	1.2
84.08131	0.6
85.01097	2.7
85.02853	1.5
86.00642	21.5
88.02201	1.1
93.07022	0.9
94.06512	0.8
95.08574	2.3
98.09689	6.1
100.02203	0.9
101.04217	1.0
102.05524	1.8
105.06976	0.8
110.09645	2.4
112.03933	2.0
113.04214	8.9
116.01639	2.6
121.10088	0.9
122.09664	4.1
123.08073	3.5
127.05780	0.7
129.07329	4.0
130.04993	0.9
130.06796	1.1
130.08557	0.9
138.78473	0.6
139.05711	2.1
139.11130	1.2
143.02658	0.7
146.02657	0.7
156.08406	74.8
156.10123	5.4
157.08719	2.6
157.12206	1.2
162.02219	1.1
163.03909	0.8
189.03242	1.6
198.09450	19.2
213.10536	2.8
216.10512	100.0
217.10880	3.4
226.08936	1.1
255.11452	1.9
259.11102	43.5
260.11362	2.3
273.12204	0.9
283.11084	2.2
301.12073	7.9
319.04953	3.2
319.13190	53.8
320.13531	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05482	0.6
56.33969	0.4
57.07039	0.6
64.16072	0.5
65.03913	0.7
67.05475	1.7
69.03397	0.8
69.07031	1.3
69.56912	1.1
69.57321	3.9
70.06578	0.6
71.04985	0.5
79.05455	1.2
81.03405	0.7
81.07024	1.2
83.04961	0.5
85.02876	1.8
91.05464	1.2
92.04984	1.0
93.07012	1.0
94.06532	0.9
95.04946	1.0
95.08590	1.1
99.04417	0.4
101.02309	0.5
102.09147	0.6
105.06998	2.1
105.99660	0.4
107.08559	0.6
108.08135	1.0
109.06488	0.7
109.10126	0.8
111.08077	0.6
118.06539	0.7
119.08546	2.2
121.10130	0.9
122.06016	0.7
123.08030	0.5
129.06990	0.7
131.08516	1.8
133.10095	1.3
135.07970	0.6
136.07556	3.7
137.05986	1.1
138.05469	6.0
143.08479	1.0
144.08051	0.7
145.08899	1.0
145.10106	1.9
146.06018	0.5
146.96762	0.5
147.11737	0.6
148.07574	0.7
152.03459	0.8
153.05461	0.7
157.10103	1.6
161.09634	0.5
162.05473	0.9
166.04968	17.8
166.06374	0.9
167.05211	0.8
167.07259	1.0
167.08534	0.6
169.08871	1.1
173.13217	4.4
175.14818	1.7
177.05467	0.5
182.09608	1.6
184.11235	0.9
185.10718	0.6
185.13330	0.8
187.14879	1.2
188.07004	1.0
188.10869	0.5
194.08336	1.6
199.12361	2.3
200.10756	0.8
209.10719	3.7
210.09097	2.2
212.10962	3.3
213.10046	0.5
214.08580	2.8
215.09193	1.2
216.10243	0.6
227.08098	1.4
227.11772	3.5
229.13361	0.7
230.11810	3.5
232.09633	1.0
237.10153	2.7
238.08540	1.4
240.10144	0.8
241.09990	0.6
242.08029	0.9
243.07646	1.2
245.09184	13.7
246.09520	1.0
250.07352	0.6
255.11234	18.5
256.11740	1.4
259.10818	0.8
260.09097	1.4
265.09702	2.4
270.09897	3.0
273.12302	18.0
274.12741	1.7
283.10733	18.1
284.11215	1.1
301.11780	100.0
302.12085	8.2
304.04492	0.7
319.07187	4.9
319.12860	1.6
319.19083	4.1
320.07141	0.6
330.33978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
53.57903	0.7
55.01873	1.9
55.05502	1.6
55.69550	0.7
56.96556	13.3
57.03432	2.1
61.02924	3.5
65.03941	1.2
67.05492	0.6
68.99750	0.6
69.03419	7.7
69.07064	3.6
70.06576	7.0
71.04984	2.2
71.78989	0.8
72.08141	2.9
73.02906	2.3
79.05474	0.9
81.03422	3.3
81.07030	1.3
82.06545	0.7
83.04954	1.8
84.04501	2.3
84.08126	2.2
84.96054	0.8
85.02895	19.8
85.06503	0.9
85.07648	0.7
86.03255	0.6
86.09698	5.0
87.04462	2.0
87.10038	2.5
91.03963	1.2
91.05465	1.2
93.07029	1.1
95.01308	1.2
95.04980	1.2
95.08599	0.7
96.04475	1.1
96.08097	0.8
97.02882	25.0
97.06535	1.2
98.03252	1.0
98.06050	0.8
98.97570	11.3
99.04441	1.4
103.05492	0.6
103.51286	0.7
107.04918	1.1
109.02864	2.4
110.07156	2.9
110.97582	1.4
111.04432	6.0
111.07444	1.2
112.07607	2.6
113.06037	0.6
114.05551	0.8
114.09212	1.5
116.07071	4.9
116.98611	10.0
117.07030	0.7
119.01887	2.6
120.08099	0.9
121.10092	0.7
123.04408	2.0
124.07584	1.0
125.02341	87.2
126.02668	1.5
127.03896	4.1
128.98610	4.6
130.06496	1.2
130.08568	1.6
131.00102	0.8
131.04939	2.4
131.99406	0.9
132.08083	1.0
133.03429	1.0
134.99643	5.6
135.04453	0.8
136.03896	0.9
137.05966	2.3
138.05467	2.0
139.03871	6.6
139.05789	0.8
140.07034	4.1
143.04959	0.7
145.04948	2.8
145.06558	0.7
146.99597	4.7
147.04399	0.8
149.05974	0.7
151.03792	1.0
156.06552	1.4
156.07681	2.4
157.04950	100.0
158.05235	1.6
158.08122	7.2
158.99617	2.3
159.04401	0.7
159.09171	2.8
161.01173	2.1
161.06015	1.1
162.96834	0.7
163.03909	2.5
164.04225	1.9
165.00693	2.0
167.06989	2.3
169.06403	1.0
170.05989	1.0
170.99709	1.3
171.01285	1.3
171.04416	0.7
173.12901	1.1
175.02754	5.4
177.00647	4.7
178.05020	1.0
179.44458	0.6
181.04901	0.8
182.08170	0.8
186.16818	0.8
189.00652	1.7
189.02232	0.8
189.05396	0.8
191.02287	0.8
191.03917	1.4
191.06952	1.0
193.03722	3.4
195.01762	0.9
196.06036	1.7
199.02866	0.8
201.05444	1.0
202.54655	0.7
203.03951	2.2
217.03818	9.0
219.01729	2.8
229.03743	1.2
231.03557	0.9
231.06421	0.7
234.98961	1.9
235.04817	2.4
237.02698	4.4
247.05342	0.7
259.05582	0.8
260.06720	1.0
260.71243	0.7
275.02084	0.8
275.05157	1.1
275.09036	1.4
275.13821	1.4
277.91336	0.7
287.05527	2.6
302.11310	1.1
319.07050	18.6
319.13446	16.7
319.70969	1.1
320.07401	1.2
320.16858	1.0
337.08023	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	319.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.6
56.96545	24.4
57.03423	11.4
61.02906	34.9
69.03418	6.9
70.98119	5.9
71.78098	7.3
71.78491	7.9
73.02899	19.5
85.02905	31.2
94.06541	52.4
96.76860	5.7
97.02872	11.7
98.97570	61.4
99.04410	5.2
101.00861	15.2
107.16489	6.1
110.01258	5.5
110.97530	6.8
114.09188	11.1
116.98595	28.6
117.31635	6.1
119.01835	39.8
127.03889	13.5
128.02277	39.4
128.98582	14.0
130.08604	9.4
131.01891	10.9
133.01529	10.6
133.03450	21.7
134.99661	14.5
135.02986	5.9
137.02873	13.7
138.05405	6.7
143.00189	7.6
143.01984	7.4
146.99643	11.2
157.02492	6.4
158.99677	19.5
159.01131	7.2
161.01125	6.2
161.02963	12.2
162.01759	11.8
165.00648	7.8
173.02879	14.6
175.00867	15.9
175.02753	6.7
177.00726	21.4
177.02293	16.3
178.03461	18.8
183.02310	14.0
184.03119	12.1
189.00673	20.3
189.02306	12.5
192.02840	19.0
193.03618	7.1
196.04544	66.5
204.02881	10.7
209.03339	8.8
211.03516	8.0
213.03331	82.4
213.53676	7.8
217.01917	30.6
219.01680	8.9
220.04117	54.6
222.03902	29.0
223.01282	9.7
229.04585	56.4
231.03543	7.2
235.02979	19.4
237.02835	11.4
259.03094	9.3
277.04132	17.4
279.03900	8.5
319.04092	30.5
319.07858	100.0
337.08060	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	319.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	10.6
57.03421	1.1
58.99843	3.8
61.02903	2.8
65.32594	0.8
66.92312	0.9
69.03413	3.8
70.06575	1.5
70.51163	3.3
70.98128	1.0
70.99840	1.9
72.08130	2.5
73.02892	2.1
74.02010	1.0
77.00887	3.0
81.03392	1.7
82.99873	1.9
83.68385	0.9
84.04456	0.9
84.08139	2.4
85.02896	5.9
88.99136	1.1
89.00856	1.5
91.02443	1.0
91.73920	0.9
92.26897	0.9
97.02898	4.4
98.97581	11.3
101.00864	12.5
110.01260	0.9
110.97519	1.3
113.00822	0.8
114.09180	1.4
115.02415	3.9
116.98621	8.5
119.01901	49.1
119.04903	2.1
120.01971	1.9
121.01627	2.4
127.03951	1.0
128.02335	1.2
128.98561	5.3
130.08594	4.2
131.01857	4.9
133.03450	36.6
134.03549	2.0
134.99638	3.2
137.02948	9.1
137.05905	4.7
138.05412	1.2
139.93539	0.9
142.03497	1.1
143.01903	2.6
145.01631	1.0
145.03436	2.8
145.04956	1.4
146.99628	4.2
147.03308	1.2
147.04353	4.1
149.02980	4.5
151.04489	11.7
152.04568	1.2
154.02042	1.2
155.01851	1.7
156.99821	3.3
157.04617	1.2
158.99675	2.3
161.01256	1.0
161.01665	1.2
161.02937	7.5
163.04529	1.5
165.00691	1.3
168.01857	1.8
170.99780	2.0
171.01375	8.8
173.02933	5.4
174.99373	1.9
175.00862	46.5
175.04453	1.5
176.00987	3.7
177.00708	7.3
177.02318	1.8
177.52461	2.1
179.02277	1.0
179.03941	1.9
179.06999	1.2
189.00719	2.7
189.02397	30.7
190.02582	2.5
190.98587	1.9
191.02357	1.6
191.04004	2.7
193.00214	1.1
193.01913	16.8
195.05014	1.1
199.00842	7.0
199.02553	1.1
201.02435	1.3
203.04008	2.5
205.00148	1.1
206.07048	1.7
207.01703	2.0
207.03427	2.9
208.02837	1.3
208.99634	1.3
213.03186	1.3
217.01917	100.0
218.02072	7.5
219.01701	2.4
219.05109	1.6
221.05066	6.6
224.07886	1.4
227.00383	1.9
229.04494	1.8
229.54941	1.0
231.01633	0.9
231.03554	8.0
232.03598	1.5
232.99669	1.8
235.02968	67.8
236.03163	5.5
237.02740	3.8
240.03477	3.2
245.01393	3.8
245.05144	1.6
247.06674	4.7
249.04590	7.1
255.03798	1.1
257.05112	1.1
259.02954	20.4
260.03033	2.0
263.02527	1.2
275.06094	3.7
277.04034	62.8
278.04144	6.7
279.03864	3.0
293.07159	2.4
295.05075	7.6
296.05005	1.4
300.05460	1.2
319.04977	3.7
319.15503	3.3
337.07785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2998
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
56.05052	0.3
57.07066	4.9
58.06585	1.3
70.06213	0.6
70.06585	9.1
71.08625	2.2
72.08124	0.3
85.10158	0.7
88.07618	13.3
102.09172	9.4
103.36861	0.3
106.87135	0.3
132.10187	0.8
146.11771	0.5
150.11220	0.4
170.04745	0.3
212.23683	0.7
230.92352	0.4
256.26337	30.9
257.26672	0.8
300.28943	2.4
318.29996	100.0
319.30264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0443
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.21671	0.2
50.76249	0.2
54.44411	0.2
55.01840	0.5
57.07658	0.2
58.06555	0.2
65.03905	0.5
65.70766	0.2
67.01844	0.4
67.05477	0.3
68.99768	3.1
69.03415	0.5
69.46825	2.0
70.06564	0.3
76.21777	0.2
79.01807	0.3
79.05467	0.2
81.03391	0.5
81.07031	0.2
85.02864	0.7
86.09663	0.6
91.05450	0.2
93.03366	0.3
93.07019	0.4
95.08559	0.2
97.02856	0.5
101.45219	0.2
105.06988	0.4
107.08527	0.2
109.02859	2.5
111.00776	4.9
111.04403	0.6
115.05422	0.4
119.08517	0.2
121.02818	0.2
121.06441	0.5
122.06020	0.2
123.04391	0.2
125.02288	0.6
126.03139	0.5
127.03877	0.9
133.02805	0.4
133.06450	0.3
133.10110	0.2
137.02316	4.0
137.05939	0.2
139.03870	0.7
143.03427	0.3
145.10081	0.3
147.04327	0.7
147.11626	0.3
149.02278	0.2
149.05946	0.4
151.03860	0.4
153.01790	19.3
153.05373	0.5
159.11688	0.2
161.05971	0.7
163.03859	0.3
165.01796	5.9
166.02556	0.8
171.04333	0.8
173.13216	0.4
175.03870	0.5
177.05437	0.7
179.03357	2.8
183.02840	2.3
188.07031	0.2
189.05420	2.2
191.03433	0.3
192.99466	0.4
193.01279	0.5
195.02855	1.3
199.03859	0.9
203.03319	1.2
207.02866	0.9
216.04056	0.2
217.04916	7.2
219.02869	0.6
221.04349	0.6
227.03304	0.6
229.04881	0.5
231.02896	0.7
232.03651	0.3
235.02266	0.5
235.06017	0.6
244.03658	0.9
245.04401	8.7
246.04739	0.2
255.02745	1.3
263.05371	1.2
272.03049	0.4
273.03867	8.3
273.06937	0.4
290.04095	1.7
291.04947	0.2
301.03348	1.9
301.11688	0.7
318.29828	0.3
319.04410	100.0
320.04730	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	318.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77641	0.2
55.05497	0.4
56.96561	0.5
58.55328	0.2
59.05004	0.2
59.22078	0.2
60.04504	0.3
61.02916	0.2
68.05015	0.4
69.07081	0.3
70.06582	2.2
71.00841	0.5
71.05003	0.3
73.02911	0.3
79.05481	0.5
81.05772	0.8
81.07049	0.5
82.06565	0.3
83.04964	1.1
84.08121	0.3
85.02888	0.7
86.09687	0.9
93.07014	0.5
94.06545	0.5
95.04949	0.4
96.08120	2.5
98.97568	0.6
108.97555	0.3
112.07558	0.3
114.09151	100.0
115.08745	0.4
115.09495	2.6
119.01604	0.4
120.08038	0.4
121.06521	0.7
121.10240	0.2
128.07077	0.9
129.10202	0.2
130.06528	0.5
138.05490	0.3
146.06035	0.4
147.04404	0.3
154.05013	0.5
156.06493	0.7
156.10172	0.8
157.08617	0.3
163.03848	0.3
171.01277	0.6
174.11241	31.7
175.11571	1.0
182.08070	0.2
185.79166	0.2
198.01741	0.4
200.07159	0.2
202.06978	0.2
207.02307	0.8
207.52516	0.3
213.02290	0.3
228.10133	0.3
242.11513	0.3
249.03683	0.3
258.03891	0.8
272.18570	0.6
273.04599	0.3
300.09784	0.7
300.12790	0.4
300.15887	5.6
301.16251	0.7
318.19073	48.0
319.13470	0.4
319.19461	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	318.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	7.5
58.06570	1.4
70.06581	13.5
71.08614	3.0
71.18749	0.5
72.08125	0.4
72.13890	0.3
85.10171	0.8
88.07614	21.7
102.08495	0.6
102.09164	12.4
104.91304	0.3
111.67545	0.3
112.54477	0.3
117.30521	0.3
132.10167	1.1
146.11716	0.7
148.00597	0.3
150.11226	0.7
212.23723	1.0
256.26315	41.8
257.26657	1.2
296.23285	0.3
300.28888	2.9
318.29974	100.0
319.30292	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80937	1.2
53.03934	2.3
55.01869	3.0
55.05519	1.4
56.96553	3.1
57.03419	5.2
60.04507	2.1
61.02911	11.9
67.05489	3.9
69.03423	20.0
69.07047	3.0
69.94012	8.7
70.06576	7.5
71.04959	3.7
72.08148	7.5
73.02896	4.4
79.05523	1.4
81.03396	9.4
81.07043	1.8
82.06572	3.8
83.04966	1.4
83.06078	2.7
84.04505	10.2
84.08131	4.8
85.02895	100.0
86.03215	1.7
86.09695	40.4
87.04436	3.5
87.10059	1.7
88.03959	1.9
91.03934	4.9
91.05468	3.7
93.07017	4.8
95.01314	2.1
95.04963	10.2
95.08619	1.6
96.08125	2.8
97.02879	28.3
98.20624	2.0
98.97569	7.6
99.04447	4.0
102.05547	2.7
103.03908	2.3
107.04924	2.0
109.02859	10.2
110.05985	2.1
110.07188	1.6
110.09667	1.7
112.07584	4.8
113.05947	1.8
114.09155	4.6
115.03921	1.9
116.07043	3.1
116.98584	5.0
117.05485	1.9
119.01915	3.7
120.08079	1.7
121.02853	5.7
121.06495	63.6
122.03304	1.6
124.07556	1.5
127.03898	24.5
128.07071	7.2
128.98613	2.7
130.08623	2.3
132.10165	6.1
133.03468	4.2
134.99634	2.1
137.05994	2.5
138.05482	14.3
138.09120	19.7
139.03894	29.6
140.04260	1.3
141.06567	4.2
142.08569	2.0
145.04938	35.1
145.06538	2.1
146.99628	1.9
149.02910	1.5
156.06544	7.8
156.10205	15.3
157.04947	2.6
159.07695	5.3
163.03889	2.4
163.06007	5.6
171.01271	1.8
173.12852	2.1
175.07437	2.0
177.00671	6.2
179.07028	1.8
180.00838	1.3
180.08684	21.8
182.06139	1.5
187.07463	12.0
189.02440	3.5
189.12286	8.2
191.03973	2.4
195.01631	1.8
197.12921	1.5
198.01897	1.3
201.12292	9.1
203.03998	4.7
205.08542	8.3
207.02298	2.4
213.02237	1.7
219.03329	2.2
222.02957	1.5
229.04034	1.3
229.08531	4.4
229.11879	2.7
231.03442	4.7
243.13376	3.2
247.09598	3.3
249.04425	4.2
258.04059	5.6
265.02383	1.7
265.10709	3.0
267.05045	2.2
275.73511	1.5
291.03857	3.2
318.09753	3.2
318.15353	11.7
318.29919	4.0
319.13547	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01860	0.6
55.05493	0.7
56.05017	0.3
56.96559	0.5
57.03434	1.5
60.04501	0.4
61.02903	1.5
62.05363	0.3
67.05481	0.8
68.05006	0.6
69.03428	4.0
69.07052	1.4
70.06574	2.3
71.03693	0.9
71.04974	0.7
71.20348	0.3
72.08163	0.6
73.02908	0.8
79.05469	0.7
81.03403	2.3
81.07027	0.9
82.06558	0.9
83.04948	0.4
84.04502	0.7
84.08156	0.5
85.02893	9.1
86.09697	6.0
87.04462	0.6
91.03931	0.8
91.05471	0.6
93.07011	1.3
95.08597	2.1
96.04487	2.5
96.08114	1.5
97.02879	3.7
97.05255	1.8
97.06508	1.0
98.06058	0.6
99.04434	0.8
100.07616	0.5
101.02305	0.3
108.07994	0.4
109.02883	1.9
109.06475	0.5
110.06023	4.8
110.09662	3.4
111.08096	0.7
114.09149	1.4
120.08092	1.1
121.06490	8.8
125.08363	0.8
126.09135	8.0
127.03898	3.6
128.10681	3.7
130.06483	0.7
138.05492	0.6
138.09126	19.7
139.07510	2.1
139.09465	0.6
140.10681	0.3
145.04936	2.2
151.03880	0.5
152.10730	0.5
156.10182	100.0
157.10547	3.0
168.10251	0.8
173.12831	0.9
174.11244	0.8
177.05403	0.4
180.10245	0.5
198.11235	0.6
201.12386	0.4
207.02283	0.5
222.11246	0.7
258.04007	1.0
265.10590	0.3
292.09824	0.3
294.53040	0.3
300.15869	0.9
301.11710	0.4
318.15543	4.0
318.19260	0.8
319.12671	0.4
319.16455	0.3
335.15359	0.3
343.23187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
53.06043	1.0
53.93652	1.2
55.01871	2.0
55.05499	2.3
56.05024	1.8
56.96553	4.8
57.03420	2.6
61.02917	4.7
61.81275	1.0
62.11673	1.2
67.05491	2.2
69.03425	7.8
70.06583	8.1
71.78452	2.2
72.08144	6.9
73.02900	2.6
74.06059	2.0
79.05482	2.0
81.03403	3.9
82.06563	1.9
83.04966	1.4
84.04498	9.5
84.08133	4.7
85.02898	23.3
85.06537	1.4
86.09698	43.9
87.04456	1.2
88.04010	2.5
91.03950	1.5
95.04956	28.2
95.08594	2.2
96.04475	2.0
96.08107	2.0
97.02864	9.1
98.97552	6.4
99.04424	1.7
101.07112	1.2
102.05525	5.2
107.04943	3.0
108.04488	2.3
109.02859	3.4
110.06027	2.4
110.07186	2.9
110.09696	2.2
112.07634	2.1
114.09172	7.1
116.07088	4.7
116.98569	3.0
120.08140	1.5
121.02848	18.3
121.06500	2.7
123.04450	1.6
124.03951	3.1
127.03902	5.5
127.08678	2.7
128.07086	5.4
128.98578	2.7
129.10225	1.5
130.05051	1.6
131.04950	2.4
131.06084	1.1
132.10229	6.8
134.99670	2.1
138.05481	19.4
138.06403	2.4
138.09081	8.3
139.03880	100.0
141.06561	7.1
145.04918	6.1
146.99681	1.7
147.04346	1.6
156.00719	2.1
156.06548	11.3
156.07614	1.8
156.10175	19.7
156.11377	1.6
157.01576	1.4
157.04993	3.4
159.07599	6.1
162.00749	2.7
163.03824	2.4
167.07018	1.7
169.55212	1.3
171.01221	2.6
173.12851	5.4
177.01141	2.2
180.06551	2.4
187.07109	8.9
189.12343	8.8
198.01776	3.8
198.51886	1.4
201.12390	6.1
207.02206	5.8
207.52603	2.6
213.02301	1.5
216.02841	1.8
218.53218	3.2
243.13469	4.5
249.03618	1.4
258.03897	8.7
258.54092	1.6
267.04974	3.8
318.09723	1.9
318.16412	6.3
318.30020	4.1
319.07877	1.6
319.13596	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	317.2106
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01850	2.1
55.05255	0.8
55.05502	6.5
57.03419	1.1
57.07069	6.5
57.46223	0.7
59.04984	2.5
60.04509	6.0
61.04844	1.1
65.67166	0.8
67.05129	1.7
67.05492	28.4
69.03410	2.4
69.07064	4.4
70.06249	1.1
70.06577	11.3
70.38248	4.1
71.04973	1.4
71.08608	2.3
71.24843	0.9
76.62918	0.8
79.05479	6.0
81.03390	1.6
81.06591	1.2
81.07039	13.0
83.04948	1.7
83.08601	2.2
85.06506	2.7
87.04441	1.9
88.07620	12.2
91.05460	7.9
93.07030	9.3
95.04950	14.3
95.08588	11.4
97.06487	3.0
102.09157	8.1
105.07018	8.4
107.04938	1.6
107.08571	20.8
108.08893	1.0
109.06506	7.3
109.10132	46.0
110.10489	1.2
111.04385	0.8
117.06972	3.3
119.08560	28.6
120.08855	0.9
121.06503	2.1
121.10136	5.2
122.10516	0.9
123.08045	9.2
123.11650	0.9
129.06963	1.8
131.08528	4.0
133.06458	2.5
133.10115	5.7
135.08002	5.0
135.11647	2.7
137.05957	1.1
137.08569	1.7
137.09592	30.8
138.09940	1.0
139.07553	1.0
143.08539	2.8
145.10040	4.4
147.08006	2.0
147.11604	2.5
148.11037	0.8
149.09627	2.7
151.07512	26.5
152.07903	0.9
153.05417	2.7
155.08549	1.8
156.09264	1.0
157.10103	2.3
159.08028	1.4
159.11691	2.3
161.09567	4.7
161.13229	1.6
163.11116	3.1
165.09079	3.5
167.07056	1.1
169.10118	1.5
171.11655	2.2
173.09615	1.9
173.13234	1.7
175.11191	1.7
177.09070	1.1
179.10594	1.2
181.08607	4.1
181.12134	2.1
183.11699	1.0
189.12708	10.3
191.14258	1.1
197.13298	1.3
199.11134	1.8
199.14761	1.1
201.12700	1.2
203.14221	1.6
205.12300	1.2
207.13782	10.5
215.14238	2.1
217.12138	1.0
219.13615	1.0
221.15292	2.6
225.12793	1.1
237.14789	2.6
243.13835	4.2
253.19753	0.8
255.20848	0.9
256.26331	27.4
261.14871	2.7
281.18997	1.0
293.65674	0.8
299.19971	8.0
299.27591	1.1
300.28903	2.9
305.16104	0.9
317.21060	53.4
317.24283	1.8
317.28604	6.7
317.44907	0.9
318.21954	5.0
318.29974	100.0
329.43817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2106
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
54.21648	1.2
55.01852	1.9
55.05499	7.7
57.07062	13.4
59.04972	3.3
67.05492	33.0
69.03403	3.3
69.07042	3.0
70.06578	16.9
71.00867	2.0
71.01208	2.3
71.04970	2.2
71.08606	3.5
79.05485	6.3
81.03399	1.5
81.07037	20.5
81.21696	1.3
83.04948	2.6
83.08593	4.4
85.06522	2.3
85.10155	1.2
88.07617	24.2
90.43721	1.2
91.05462	7.7
93.07023	11.4
95.04952	18.5
95.08598	10.4
97.06513	6.3
102.09163	16.3
105.07018	10.7
107.04967	2.3
107.07891	2.2
107.08572	27.5
109.06492	13.5
109.10137	51.6
111.08065	1.7
114.31613	1.2
117.06980	3.8
119.07716	1.8
119.08558	33.4
121.06487	4.9
121.10137	5.9
123.08037	15.5
125.05956	2.1
128.06177	1.5
130.07797	1.4
131.08533	5.0
132.11562	1.1
133.06421	1.7
133.10124	6.4
135.08047	7.1
135.11674	1.7
137.05966	1.5
137.09579	38.7
138.09911	1.4
139.07545	1.8
143.08502	3.8
145.10085	8.3
147.08031	3.9
147.11664	3.8
149.09572	2.9
151.07513	35.2
153.05426	2.9
155.08469	1.7
157.10124	3.5
159.11626	3.8
161.09598	7.5
161.13202	2.5
163.11127	3.1
165.09052	3.4
171.11688	3.8
173.09587	2.3
173.13271	1.9
175.11099	2.1
177.09105	1.8
179.10715	1.4
181.08575	4.9
181.10063	1.7
181.12178	1.4
182.10915	1.2
183.11694	1.8
184.83603	1.4
185.13203	1.5
189.12691	16.7
192.72688	1.2
197.13292	2.6
199.11024	1.7
199.14813	1.4
203.14262	2.5
207.13773	18.9
211.14793	2.0
215.14233	2.9
217.12073	1.3
219.13625	1.4
221.15335	2.8
233.15315	2.8
237.14810	2.3
241.15791	1.3
243.13811	4.9
253.19212	1.5
256.23621	2.7
256.26312	47.9
259.16937	2.3
261.14874	3.4
261.20575	1.4
281.19037	1.8
294.94827	1.2
299.20081	7.4
300.20068	1.6
300.28918	2.9
317.21054	64.2
318.21964	5.6
318.29965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.138
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
55.01860	3.4
67.05497	2.7
69.03417	1.6
69.07047	2.0
70.06203	2.6
70.06585	46.8
70.92810	2.9
79.05486	4.5
81.07049	1.6
84.62569	1.2
86.09689	9.5
91.05463	20.4
93.07022	2.4
94.04174	1.8
95.04943	5.4
97.05972	1.8
97.06515	12.0
103.05443	4.0
105.07032	2.7
107.04945	4.1
107.08597	1.5
109.06494	3.7
109.10072	2.2
115.05415	2.3
117.07025	2.7
118.06514	13.6
119.04951	9.8
119.08548	2.6
121.06492	11.7
122.03629	7.6
123.04421	8.3
128.06210	4.6
129.06996	17.1
130.06566	3.1
130.08626	85.8
131.04895	3.7
131.08954	1.9
132.15189	1.6
135.04396	6.6
135.08089	1.9
136.05174	3.4
137.05962	100.0
138.06335	3.4
142.06497	1.9
144.08095	8.0
145.06409	2.4
146.05983	37.4
147.04390	18.2
147.08017	5.9
149.04884	1.7
149.05969	24.3
150.06735	3.3
151.07526	60.1
152.06161	2.2
152.07838	2.2
153.07040	1.5
155.08542	2.5
157.06464	11.6
157.07614	6.1
161.05939	5.2
163.07542	4.0
165.06970	12.6
167.08569	7.6
169.06451	2.7
170.06013	2.7
175.07521	39.5
176.07835	1.8
177.06932	1.6
178.07744	5.8
179.08597	1.9
181.06512	2.5
182.07170	3.4
183.08041	3.6
185.34138	1.3
188.07051	33.4
189.07436	2.0
189.09036	2.6
193.06479	6.8
193.08531	4.2
193.10168	4.0
195.07928	7.3
197.05902	6.6
203.08147	15.8
210.06754	6.4
211.07480	8.9
213.09097	6.5
221.05989	10.8
221.09485	7.8
223.07568	3.4
224.08174	2.1
225.09073	7.6
227.07040	2.8
227.10637	3.3
238.06171	3.2
238.09972	1.8
239.06976	10.9
239.10701	3.3
240.10091	1.5
241.08617	6.1
249.09073	3.3
253.08597	9.3
253.12247	11.4
255.06674	2.0
255.09897	1.4
258.08777	3.2
267.10104	3.3
270.08905	2.4
271.09641	29.2
272.09970	1.7
273.11172	22.3
281.11737	4.7
299.12756	21.6
300.12900	2.6
317.14719	28.4
318.15030	2.6
335.07285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1381
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
55.01849	3.5
60.75780	1.0
64.77081	1.1
65.03909	1.5
67.05489	2.6
69.03421	2.5
69.97739	6.8
70.06577	10.7
72.08148	1.1
75.87032	1.0
79.05466	2.9
81.03403	1.2
81.07036	3.7
84.04494	2.0
84.08117	2.8
85.02901	1.4
86.09689	4.3
91.05476	21.5
92.22482	1.3
93.07027	1.9
94.04136	2.7
95.04942	5.4
98.20763	1.8
103.05437	4.9
105.07018	2.0
107.04950	6.5
109.02885	1.4
109.06503	3.3
109.10156	1.9
112.07640	1.3
114.09153	1.7
115.05437	1.9
117.06989	2.1
118.06528	4.0
119.04925	13.0
119.08550	3.2
120.08068	1.8
121.06493	12.9
122.03628	6.4
123.04429	11.6
128.06163	3.5
129.07001	14.5
130.08621	18.2
131.04909	3.8
133.06534	1.2
134.03635	1.4
135.04408	4.9
136.05156	2.7
137.05956	100.0
137.09586	1.6
138.06314	3.6
141.85588	1.3
143.04868	1.4
144.08061	3.2
145.06487	1.7
146.05975	11.0
147.04381	18.2
147.08032	7.7
149.05963	23.5
150.06689	4.0
151.03856	1.5
151.07520	63.5
152.06163	2.4
152.07851	2.3
153.05498	1.2
155.08490	1.6
157.06464	8.0
160.05133	1.8
161.05954	5.1
163.03912	1.2
163.07518	3.5
165.05615	2.0
165.06955	12.7
166.07501	1.3
167.07225	1.7
167.08517	5.6
168.78197	1.0
169.06453	2.7
175.07518	38.4
176.07918	2.4
177.05322	1.3
178.07724	5.6
179.08578	1.9
181.06494	2.3
182.07240	3.0
183.08008	3.2
187.07370	1.3
188.07024	10.5
189.09013	2.7
193.06541	6.6
193.08542	4.2
193.10007	5.5
194.07181	1.6
195.08003	8.9
197.05920	3.9
198.06683	1.6
199.07510	1.4
202.07722	1.4
203.08508	1.4
206.07314	1.8
207.07957	1.7
209.06067	1.5
210.06659	6.5
211.07469	7.9
212.08170	1.6
213.09094	7.4
220.08694	1.2
221.05962	10.9
221.09488	6.7
223.07448	4.8
224.08263	1.9
225.05396	1.8
225.09012	6.7
227.07104	1.4
227.10704	2.4
234.06792	1.2
237.09085	1.8
237.51097	1.1
238.06215	3.6
239.06981	9.9
239.10587	2.3
240.07715	1.2
241.08612	8.4
249.09122	3.5
253.08524	10.7
253.12202	7.3
254.08899	1.8
255.06541	2.1
255.21106	1.4
256.07217	1.9
258.08832	4.3
263.10562	1.5
267.10150	2.7
270.08774	2.4
271.09622	29.1
272.06125	1.2
272.10001	2.6
273.11197	18.7
274.11478	2.0
281.11694	5.2
287.12881	1.7
299.12775	22.9
300.13141	2.3
317.02945	3.8
317.10632	2.0
317.14133	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	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36660	0.2
55.01870	0.2
55.05499	0.2
58.23162	0.1
65.03915	0.5
68.30683	0.2
68.99774	0.5
70.28397	0.7
75.72579	0.2
81.03421	0.2
81.07027	0.2
84.08153	0.2
91.05474	0.3
92.02082	0.2
92.02618	2.9
93.03407	2.4
93.07033	0.4
94.04189	0.2
95.04937	0.2
95.08616	0.2
98.20605	0.2
105.07010	0.2
109.02877	0.4
109.10150	0.3
111.00780	0.3
119.08497	0.3
121.02852	1.8
121.06504	0.3
123.04476	0.2
126.03124	0.9
131.04892	0.3
133.02881	0.2
133.10080	0.2
137.02292	0.7
137.05923	0.5
139.03883	1.5
145.06511	0.2
150.03040	0.3
151.03893	1.3
151.07465	0.3
153.01810	16.0
154.02119	0.5
154.05003	0.3
155.05222	0.3
161.05940	0.2
163.03857	0.3
165.01866	1.1
166.02536	0.2
168.48006	0.2
173.05891	0.2
175.07436	0.2
177.05435	0.6
179.03371	0.3
183.02838	0.4
183.04312	0.2
187.03851	0.3
188.07045	0.3
189.05356	0.2
190.06316	0.2
200.04655	0.5
201.05487	1.7
203.03395	1.3
204.04044	0.2
211.03792	0.2
217.04951	2.4
218.05702	1.1
219.02788	0.5
225.09062	0.2
228.04149	3.4
229.04932	7.6
230.05367	0.4
231.02887	1.1
232.00650	0.3
232.03561	0.2
233.04489	0.2
239.03368	0.2
243.06430	0.2
245.04413	3.0
246.05183	2.8
247.05569	0.2
256.03665	0.6
257.04419	4.5
258.04874	0.5
260.03207	0.5
261.07590	0.3
271.05984	0.3
273.03909	3.0
274.01535	0.2
274.04669	6.0
275.05157	0.6
284.03162	0.6
285.03915	7.5
286.04388	0.8
287.01733	0.3
288.06317	0.4
299.05301	0.2
299.12964	0.3
301.03339	0.4
302.04181	19.8
303.04550	1.7
317.06525	100.0
318.06873	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	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
64.03135	0.1
65.03927	0.6
67.05483	0.1
68.99775	0.3
69.03407	0.2
69.07030	0.1
70.06592	0.4
71.79094	0.2
78.01051	0.1
79.05486	0.1
81.03425	0.1
81.07030	0.3
84.08118	0.1
85.02908	0.1
86.09689	0.2
91.05453	0.2
92.02602	2.5
93.02919	0.1
93.03389	2.4
93.07047	0.2
95.01297	0.1
95.04953	0.2
95.08577	0.2
103.05436	0.1
105.03390	0.1
105.07016	0.2
107.04914	0.1
107.08559	0.2
109.02857	0.2
109.06482	0.1
109.10127	0.1
110.06051	0.1
111.00787	0.3
119.08575	0.1
120.02075	0.1
120.08076	0.3
121.02840	2.0
121.06447	0.1
122.03654	0.1
123.04413	0.1
125.11948	0.1
126.03099	1.0
129.06975	0.1
131.04840	0.1
133.02827	0.2
133.06392	0.1
135.04390	0.2
136.07556	0.1
137.02315	0.4
137.05948	0.4
137.13213	0.1
139.03856	1.4
145.06459	0.2
147.04396	0.1
147.08046	0.1
149.02284	0.2
149.05933	0.1
150.03044	0.2
151.03879	1.3
151.07475	0.2
152.00916	0.1
153.01796	15.1
154.02191	0.4
155.04959	0.2
161.05991	0.1
163.03868	0.4
165.01808	1.2
166.02560	0.3
166.08609	0.1
170.02084	0.2
171.53035	0.1
173.05965	0.3
176.04640	0.1
177.01828	0.2
177.05417	0.3
179.03333	0.1
183.02861	0.3
183.04379	0.2
187.03946	0.3
189.05418	0.1
190.06242	0.2
200.04614	0.6
201.05447	1.4
203.03314	1.3
204.04048	0.2
205.04964	0.1
217.04939	2.3
217.06877	0.2
218.05667	1.2
219.02864	0.5
219.06351	0.1
228.04129	3.0
229.04918	6.4
229.15520	0.2
230.05275	0.3
231.02821	0.8
232.03674	0.3
239.03300	0.2
243.06401	0.3
245.04402	3.2
246.05170	2.9
247.05518	0.1
256.03757	0.6
256.06204	0.1
257.04410	4.5
258.04895	0.3
260.03198	0.7
261.03851	0.1
261.07504	0.5
271.05890	0.3
273.03876	3.0
274.04669	6.8
275.05014	0.3
284.03180	1.0
285.03876	6.6
286.04315	0.7
286.72400	0.1
287.01785	0.3
288.06143	0.3
299.05475	0.1
299.09006	0.1
301.03427	0.5
302.04156	20.5
303.04520	1.1
317.06491	100.0
318.06830	7.5
318.10733	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	316.2839
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01852	0.5
55.05498	4.4
56.05030	3.2
57.03428	1.0
57.07059	1.9
58.02962	0.6
59.58330	0.4
60.04513	100.0
61.04866	0.8
67.05489	7.9
68.05019	0.8
69.07056	5.0
70.06583	0.7
71.04926	0.4
71.08642	0.8
71.24367	1.0
72.04514	1.7
74.06075	2.3
77.08739	0.4
79.05491	4.3
80.05008	1.2
81.03386	0.5
81.06588	0.8
81.07040	8.2
82.06570	1.3
83.04984	0.4
83.08606	3.9
85.10145	0.5
86.06062	0.7
87.04456	0.6
90.05535	1.3
91.05460	2.6
93.07027	3.8
94.06546	0.9
94.07404	0.4
95.04933	0.8
95.08589	6.2
96.08116	0.9
97.10174	2.0
100.07642	0.4
105.06996	1.7
107.07375	0.3
107.08561	2.9
109.06477	0.4
109.10135	5.3
111.11711	0.4
112.12463	0.4
116.07095	0.5
119.08552	2.3
121.10128	2.2
122.09662	0.4
123.08020	0.8
123.11689	0.9
125.13226	0.4
133.10126	1.4
135.11655	1.0
137.09581	0.8
147.11678	0.4
149.13242	0.4
151.07561	0.7
161.13242	0.5
170.43047	0.4
189.12817	0.8
233.96767	0.4
237.22350	0.5
245.22546	0.7
250.25307	1.2
251.23740	0.4
262.25275	1.3
263.23654	0.7
268.26233	1.1
280.26309	11.3
280.29425	0.5
281.26685	0.8
298.27335	13.5
299.27783	0.9
316.28412	57.0
317.20999	1.7
317.28677	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	317.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01857	8.2
55.05502	5.9
56.05033	5.0
56.96556	100.0
57.03436	18.6
58.99850	3.0
59.05004	2.8
60.04507	5.3
60.95849	2.7
61.02916	33.7
62.16968	2.7
65.78056	3.1
69.03423	27.1
70.06577	15.4
70.98114	11.4
71.04975	6.5
71.78779	3.0
71.79197	4.4
72.04514	6.1
72.08154	26.0
73.02916	27.3
74.97607	5.7
81.03420	14.1
83.28709	2.9
84.08135	97.1
84.96027	11.1
85.02895	55.5
85.08475	3.0
86.03231	4.3
86.09692	29.5
87.04465	7.9
88.99140	9.8
89.00787	2.7
91.02451	4.3
91.05474	7.0
92.05809	3.7
95.06065	3.1
97.02872	32.6
97.99142	2.8
98.03224	5.1
98.06038	3.1
98.09687	3.3
98.97569	82.3
99.04491	6.4
101.00874	9.7
101.02372	3.1
104.01304	4.7
106.05025	5.5
109.02871	5.0
110.01273	4.1
110.97585	19.4
112.07558	3.3
112.08685	3.2
112.99110	6.0
113.01779	5.2
114.09178	7.6
115.08685	4.6
116.98611	44.8
117.01923	5.5
117.72704	2.6
119.01881	33.4
122.02364	2.7
125.01749	4.5
127.01578	4.2
127.03901	18.8
128.02321	11.3
128.98592	28.1
129.10228	47.2
130.08620	12.8
130.93275	3.5
131.00150	6.1
131.01901	9.4
132.00787	2.9
132.10184	6.1
133.01602	5.0
133.03450	10.3
134.02327	3.1
134.99660	16.8
135.03064	4.1
136.07527	4.9
137.02937	8.9
137.05959	41.0
137.07806	3.9
138.02525	3.8
138.05411	6.1
138.06316	41.1
139.01550	3.4
140.02351	4.1
140.98532	3.5
142.96487	3.3
143.00150	7.0
143.01918	6.8
143.11754	3.8
145.01660	3.9
145.03503	9.2
145.04991	5.9
146.05135	3.5
146.99614	29.1
147.01270	7.7
147.11272	3.5
148.03883	9.6
149.01199	5.5
149.02899	14.0
152.02307	3.6
152.06760	2.8
154.02066	5.3
154.08582	15.9
154.93327	2.8
155.02921	4.2
155.04558	4.3
155.08968	12.5
155.55756	2.8
156.06519	8.8
156.98042	3.8
158.01337	4.4
158.99612	22.0
159.01346	2.6
159.03178	3.7
160.02924	5.0
160.06473	4.1
161.01155	7.7
161.02884	13.0
162.01790	3.7
162.03572	2.6
162.99200	3.5
163.02782	5.4
163.04457	4.3
165.00662	21.3
168.01881	6.3
168.03378	6.5
170.03423	9.3
170.04898	4.4
170.99644	6.0
172.94379	9.8
172.97528	3.9
173.01207	9.3
173.02960	14.2
174.11249	6.7
174.99210	5.3
175.00862	6.1
175.02696	3.6
175.04439	3.7
177.00722	19.1
177.02301	7.0
178.01082	3.6
178.04921	9.7
185.02956	4.8
186.02870	4.2
186.04401	10.5
186.99216	5.9
188.05989	10.3
188.97052	6.8
189.00761	16.8
189.06076	6.0
190.95384	12.0
190.98590	7.9
191.02249	8.5
191.03912	10.0
193.00121	4.9
198.02913	5.8
198.04684	22.7
198.54872	3.3
200.04517	3.6
201.00734	8.1
201.06123	5.1
202.01540	3.3
202.03792	3.6
203.03996	3.2
204.02905	4.8
204.05360	9.8
205.00189	8.8
205.03690	6.0
206.06978	14.4
206.98177	5.9
207.01826	6.5
207.03400	10.0
207.05235	29.0
207.07265	7.6
208.99646	3.7
211.04567	4.6
213.03366	12.1
214.04175	3.5
214.05945	16.9
214.95389	8.4
216.05634	5.0
216.14420	2.9
217.05583	4.1
218.55984	5.3
219.01643	24.1
219.03558	3.3
220.02237	6.6
220.04230	9.2
220.06082	6.6
220.56291	3.6
221.03242	3.4
221.05112	6.3
222.06473	9.7
223.01335	6.0
224.08078	16.0
225.08459	9.0
227.06915	6.1
227.57382	4.3
232.96410	30.3
232.99701	7.3
234.00139	3.5
235.02975	8.7
236.07304	17.4
237.02844	26.1
244.96381	5.1
247.01260	3.6
248.08018	5.4
250.17130	11.9
250.97350	14.2
251.04344	8.8
251.17293	3.7
252.01025	3.6
256.05115	3.6
256.96698	4.0
257.01419	6.3
257.05444	5.2
259.06638	8.4
262.97534	10.0
264.99078	3.1
271.05801	3.9
274.97537	21.1
275.06403	6.7
275.97906	4.5
276.07468	4.4
279.94223	6.4
281.01602	4.1
286.97580	5.5
290.97067	5.1
291.09204	3.0
292.98590	17.6
295.03671	3.3
295.06891	9.5
297.95245	5.2
299.12793	13.0
303.05988	6.1
304.98465	11.9
316.55502	3.8
316.69089	7.7
316.98557	5.9
317.06207	67.6
317.09927	15.2
317.13940	57.5
317.17938	10.3
317.21695	25.3
334.01462	3.4
335.06503	8.5
335.14993	7.7
337.07996	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	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01862	1.5
55.05502	0.9
56.05032	0.4
56.96558	38.5
57.01949	0.2
57.03428	5.3
58.99852	0.4
59.04999	0.4
60.04510	0.9
61.02919	8.8
65.03925	0.7
67.05486	0.4
69.03422	8.1
69.07056	0.4
69.80774	2.0
70.06586	2.6
70.98106	2.6
71.01334	0.8
71.04980	1.7
71.95251	1.2
72.04500	0.6
72.08150	2.7
72.96040	2.1
73.02910	6.1
74.06069	0.6
74.97599	1.2
75.04485	0.4
79.05501	0.3
81.03403	3.5
81.07037	0.6
83.01325	0.7
83.04969	0.8
83.06104	0.3
83.97641	1.2
84.04509	0.7
84.08136	6.8
84.96022	2.7
85.02897	22.0
86.03223	0.6
86.06013	0.4
86.09693	3.8
87.00851	0.2
87.04461	1.8
87.04884	0.3
88.99142	1.8
89.00752	0.6
90.01563	0.3
91.02462	0.3
91.03942	1.4
91.05466	13.1
92.01292	0.4
92.05812	0.5
92.98621	0.2
95.01336	0.5
95.04985	0.4
95.06138	0.4
96.01537	0.3
96.08118	0.6
97.02879	8.8
97.07643	0.2
97.99156	0.5
98.01277	1.0
98.03174	0.3
98.97569	15.5
99.04438	2.4
99.97906	0.3
100.99174	0.3
101.00867	1.1
101.02374	0.8
102.01563	0.3
102.97009	0.5
103.00513	0.3
103.02364	0.3
103.03914	0.4
104.01275	0.8
105.02048	0.5
106.01030	0.4
106.05039	0.5
107.00198	0.6
107.01796	0.2
107.02502	0.2
108.01568	0.3
108.08089	1.3
109.02867	2.2
109.06519	1.2
110.01257	1.0
110.97543	3.2
111.00225	0.4
111.02065	0.4
112.08768	0.5
112.99119	0.9
113.00895	0.3
113.01722	0.6
113.02415	0.4
113.76805	0.2
114.02523	0.3
114.09155	3.8
115.02427	0.7
115.03928	0.8
115.08685	0.6
116.00228	0.4
116.01292	0.4
116.07076	0.9
116.98603	11.4
117.01962	0.7
118.01038	0.4
119.01872	5.5
119.02702	0.3
119.03574	0.4
119.04926	9.4
119.30228	0.2
120.01962	0.4
121.01652	0.4
121.03420	0.3
122.01289	0.5
122.02242	0.3
122.07124	0.2
124.00945	0.3
124.02847	0.4
124.95451	1.4
125.01782	0.6
126.00705	0.2
126.02420	0.7
127.00618	0.3
127.01513	0.4
127.02464	0.5
127.03915	5.2
128.02295	2.4
128.04225	0.3
128.62523	0.3
128.98596	5.3
129.02008	0.3
129.10225	1.8
130.08640	2.5
130.93250	0.6
131.00180	2.4
131.01820	1.7
131.02701	0.3
132.00732	0.6
132.03441	0.4
132.10190	1.0
133.01608	0.9
133.03421	2.0
134.99631	4.9
135.03101	1.1
136.05072	0.7
136.06029	0.3
136.06322	0.2
136.07561	11.9
137.05960	100.0
138.02400	0.6
138.05406	0.4
138.06325	3.6
139.01512	0.3
139.02518	0.3
140.02309	1.2
140.03868	1.2
140.98622	0.6
141.01263	1.5
142.05406	1.3
142.96507	2.3
143.00182	1.4
143.01851	1.1
143.03548	0.3
144.03459	0.4
144.99832	0.8
145.01649	1.1
145.03427	1.6
145.04933	3.4
145.99916	0.5
146.02187	0.5
146.06873	0.3
146.08093	0.6
146.99626	5.3
147.01326	0.6
147.03137	0.9
147.05046	0.4
148.01953	0.5
148.03860	1.1
149.01196	0.9
149.02882	2.1
150.01796	0.8
151.02707	0.3
152.02281	0.6
152.07028	0.3
152.98657	0.4
153.00679	0.5
154.01961	0.5
154.03885	0.4
154.04988	1.5
154.06110	3.6
154.08609	33.4
154.93292	0.3
154.96529	0.5
155.01872	0.8
155.04520	0.3
155.08987	1.2
156.01791	0.4
156.03386	0.7
156.98027	0.3
157.03484	0.7
157.09653	0.4
158.03700	0.2
158.04883	4.3
158.99619	3.2
159.01291	0.3
159.03224	0.5
159.05072	0.4
160.02919	0.4
160.06444	4.3
160.07866	0.4
160.08336	0.4
160.09642	1.8
160.97580	1.9
161.01164	1.8
161.02930	2.9
161.04715	0.5
162.01715	1.1
162.03604	0.5
162.99139	0.4
163.02711	1.1
163.04433	0.6
164.07089	0.4
165.00670	2.8
165.07381	0.4
168.01817	0.6
168.03526	1.2
168.99806	0.3
169.02441	0.5
169.04492	0.4
169.52664	0.3
170.03391	1.2
170.04947	2.4
170.96005	1.5
170.99625	1.7
171.05078	0.5
172.02844	0.6
172.06447	1.1
172.07951	0.3
172.94336	1.0
172.97600	2.9
173.01227	1.6
173.02954	2.1
173.99341	0.3
174.01758	0.6
174.04454	0.4
174.99194	1.7
175.00769	0.6
175.02731	1.0
175.04510	0.7
176.05991	1.4
176.09190	0.5
177.00708	4.1
177.02364	1.0
177.04184	1.6
177.05865	0.5
178.03073	0.5
178.04918	1.3
178.07494	1.3
178.42247	0.3
178.98669	0.5
182.01550	0.3
182.03329	0.7
182.99696	0.3
183.02249	1.0
184.02954	0.6
184.04855	0.4
184.06419	0.4
184.97629	0.4
185.01265	0.4
185.02850	0.5
186.04446	1.9
186.05959	0.4
186.99174	0.6
187.00885	0.5
187.02718	0.6
187.04498	0.5
188.02415	0.3
188.05949	5.0
188.07643	0.6
188.97061	7.9
189.00737	2.4
189.02405	0.5
189.04219	0.8
189.06099	0.6
190.05772	0.6
190.07492	3.2
190.95506	1.5
190.98628	8.7
191.00424	0.4
191.02171	1.7
191.03918	1.5
191.99013	0.4
192.02853	0.8
193.00208	1.9
193.01891	0.4
193.03772	0.5
195.01913	0.6
196.01282	0.9
196.99313	0.3
197.06551	1.0
198.02817	1.1
198.04657	4.2
198.06326	0.2
199.12000	0.4
200.02441	0.4
201.00710	1.6
201.02385	0.4
202.03873	0.8
202.98627	0.9
203.02272	0.5
203.04010	0.5
204.02754	2.0
204.05490	2.0
205.00180	1.5
205.01830	0.9
205.03725	1.4
205.05568	0.4
205.51779	0.3
206.06993	15.3
206.98102	4.0
207.01918	1.3
207.03403	0.8
207.05217	4.3
207.07303	0.6
207.98518	0.3
208.08569	0.4
208.96475	0.7
208.99626	2.4
210.02861	0.4
211.01672	0.5
211.04686	0.4
212.07098	0.3
212.55394	0.8
213.03348	5.3
213.05214	1.3
213.53554	0.7
214.03999	0.6
214.05922	1.8
214.95396	1.2
214.98622	0.9
215.04065	0.4
216.05478	2.7
217.00191	0.6
217.05533	0.4
218.06927	0.6
218.53995	0.3
218.56052	0.9
218.57906	0.4
218.98161	1.7
219.01665	4.1
219.03432	0.4
220.02060	0.6
220.04262	1.9
220.06192	0.5
220.08202	0.3
220.99760	1.8
221.01639	0.5
221.05089	0.9
222.04013	1.3
222.06270	1.2
223.01230	1.0
223.04793	0.4
224.08034	20.5
224.99123	0.4
225.08400	1.0
226.02275	2.0
226.52522	0.4
227.04616	0.3
227.06967	0.6
227.54131	0.7
228.03821	0.4
228.15767	0.3
229.08582	0.7
230.06989	0.6
230.98172	0.5
231.03510	0.5
232.96451	3.8
232.99680	5.9
233.03218	0.5
233.54607	0.5
234.06477	2.0
235.02960	4.1
235.06520	1.6
235.52933	0.6
236.07289	1.4
236.99178	0.6
237.02805	5.1
238.03247	0.3
239.00676	0.3
241.16418	0.3
242.03461	0.5
244.96425	0.5
245.05115	0.7
246.06621	1.2
246.97968	0.4
247.01067	0.5
247.06976	0.3
247.09554	0.4
248.08018	0.4
248.99138	0.6
249.06410	0.4
250.07076	0.5
250.17166	1.6
250.97565	1.7
251.00722	6.0
251.04427	1.7
255.03970	0.4
256.04926	10.4
256.96524	0.8
257.01437	0.4
257.05280	0.9
259.06647	1.4
260.95865	0.4
261.93115	0.4
262.97531	1.0
263.00708	0.9
266.04895	0.3
267.00159	0.3
269.01733	0.4
269.05264	0.5
274.01440	0.5
274.05942	10.6
274.97556	6.4
275.00732	1.0
275.06299	0.9
277.04044	0.6
278.09003	0.6
279.03949	0.4
279.06750	0.3
279.94107	1.1
281.01846	0.6
284.04208	2.0
286.04285	0.4
286.97583	0.5
290.97003	0.4
291.09332	0.4
292.06882	0.6
292.98489	2.9
293.01816	2.1
295.06973	0.7
297.07550	0.9
297.95377	0.6
298.12811	0.4
299.11441	0.9
301.06775	0.6
302.05447	8.0
303.02481	0.4
303.05801	1.0
304.98508	0.9
305.10797	0.3
307.04929	1.0
308.07516	0.3
308.09439	0.3
316.05515	0.6
316.08441	2.6
316.13937	11.6
316.19421	0.6
316.55576	0.3
316.68945	0.7
316.98578	0.4
317.06277	6.4
317.09888	1.7
317.13696	4.9
317.17749	0.3
317.21725	0.5
320.06522	2.8
325.06943	0.5
334.08020	0.8
334.99680	0.6
335.06436	0.4
335.14761	0.5
337.08087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85653	0.2
52.00981	0.2
54.50963	0.2
55.05485	0.7
56.05025	0.2
56.93928	0.2
56.96335	0.2
56.96552	1.8
57.03416	0.2
60.04488	0.3
61.02898	0.5
64.89405	0.2
65.03914	0.3
68.04978	0.2
69.03418	0.9
69.07016	0.2
69.95162	1.0
69.95577	0.4
70.06217	0.2
70.06586	3.2
71.04945	0.2
72.08143	3.8
73.02878	0.3
73.06496	0.2
74.06066	1.0
81.03401	0.4
82.06544	0.2
82.47575	0.2
84.04479	0.5
84.08120	0.8
84.95963	0.2
85.02896	1.7
86.03311	0.2
86.09679	0.6
87.04438	0.4
95.04942	0.3
95.06079	0.6
96.04448	0.2
97.02879	1.2
98.97571	1.9
99.04343	0.3
105.03345	0.2
108.04468	0.3
110.06052	1.4
110.07172	1.4
110.97588	0.2
111.09222	0.2
112.07585	0.4
113.06038	0.2
114.09162	0.3
115.08667	0.2
115.49447	0.2
116.07076	5.7
116.98585	1.4
119.01791	0.3
122.05983	0.3
124.03934	0.5
126.05499	2.9
127.03883	0.4
128.10699	1.0
128.98596	0.4
129.10228	0.4
130.08607	0.7
131.00153	0.3
133.02838	0.2
134.99641	0.5
135.04344	0.2
136.03938	1.1
136.07558	0.3
137.05940	0.7
138.09175	0.3
140.03391	0.3
140.07051	0.3
146.99590	0.5
147.03159	0.3
149.73378	0.2
154.04965	100.0
155.05428	2.1
156.03285	0.6
158.99638	0.7
163.03900	0.8
164.05186	0.6
170.99518	0.4
172.38345	0.2
172.97498	0.2
173.12831	1.1
174.04341	0.7
177.00674	0.7
178.04941	0.3
186.04370	1.2
190.98575	0.3
201.12320	1.3
204.05449	1.3
213.03381	0.7
217.11734	0.5
219.01695	0.6
227.06795	1.1
227.10321	0.2
228.05305	0.2
235.02856	0.2
236.07280	0.7
237.02769	0.8
246.06487	0.2
250.16980	0.4
270.08746	0.3
298.09247	0.5
307.58661	0.2
309.08487	0.4
316.10281	9.8
316.18536	0.4
316.68802	0.3
317.10669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
53.32202	0.3
53.42310	0.3
54.59722	0.2
55.01862	0.3
56.96541	0.4
60.04498	0.3
61.02895	0.3
65.03896	0.2
67.05486	0.2
69.03410	0.6
69.07041	0.4
70.06580	1.7
70.13623	1.3
70.77653	0.2
71.04955	0.3
72.08147	1.4
73.02916	0.3
78.03436	0.2
80.04997	0.5
81.03381	0.5
81.07033	0.4
82.06575	0.4
84.04469	0.5
84.08107	0.9
85.02901	2.0
86.06030	0.4
86.09671	1.0
87.04518	0.2
91.05449	0.3
95.01286	0.3
97.02856	0.6
98.97554	0.9
99.04440	0.4
106.02913	0.4
108.04446	0.4
109.02835	0.4
110.06027	1.9
110.07169	1.1
114.09151	0.6
116.07064	1.1
116.98637	0.4
119.92059	0.2
123.04357	0.3
124.03917	1.3
126.05499	3.5
127.03925	0.7
130.55556	0.2
133.02782	0.4
134.99579	0.3
136.03914	10.2
136.07547	0.6
137.05966	0.3
153.05403	0.5
154.04965	100.0
155.05365	1.7
156.15102	0.2
158.99568	0.4
163.03799	0.4
171.55232	0.2
173.12886	0.4
177.00671	0.3
195.06430	0.3
201.12259	0.2
230.44675	0.2
237.02792	0.3
250.17143	0.5
256.08014	0.4
280.08124	0.7
288.09344	0.3
316.10236	58.1
316.68851	0.3
317.10483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74272	1.2
55.01868	2.5
56.96558	56.0
57.03421	3.1
61.02911	5.3
69.03432	5.3
70.06582	5.5
70.51395	4.0
70.98115	19.4
71.04980	1.2
72.08141	4.1
73.02910	2.5
74.97594	1.8
81.03403	3.1
83.01343	1.3
84.08128	3.3
84.96030	1.7
85.02894	16.3
86.09701	3.1
87.04443	1.1
88.99157	10.2
91.05474	13.0
97.02881	4.8
98.16273	1.2
98.97559	21.3
99.04440	1.7
107.00217	2.8
108.08060	1.1
110.97560	1.8
114.09157	2.2
116.07079	2.5
116.98605	13.7
117.97189	1.0
119.01886	4.7
119.04932	8.9
127.01565	1.6
127.03877	4.1
128.98598	4.2
130.08650	3.8
131.01927	1.9
133.01611	1.6
133.03412	1.6
134.99649	4.8
136.05186	1.1
136.06154	1.8
136.07552	14.0
137.05962	100.0
143.01860	1.2
145.04977	2.6
146.99609	11.2
149.02959	1.7
154.04987	4.7
154.06116	3.5
154.08606	36.6
154.96558	3.5
158.99651	2.2
161.02913	1.6
165.00711	11.2
168.01817	2.1
170.04883	2.2
170.95889	1.1
172.06383	2.5
172.97577	28.6
173.06827	1.0
174.99104	2.0
175.00832	3.1
177.00752	2.5
186.04340	3.5
186.99149	2.3
188.05940	2.2
188.07504	1.2
188.97079	1.9
190.07457	5.4
190.98611	78.8
191.03970	1.6
191.98999	1.2
193.00320	1.3
200.97072	1.5
204.05472	2.3
205.00197	7.1
205.01735	2.0
205.03577	1.1
206.06943	1.8
206.98076	1.3
208.08562	2.6
208.99667	19.3
213.03355	4.8
214.00304	1.9
214.02245	2.3
214.07491	2.2
214.98503	5.6
216.05388	5.3
218.06384	1.2
218.98094	21.0
223.01175	6.4
224.08058	2.0
226.02208	2.9
231.03673	1.6
232.08554	6.0
232.99661	58.9
234.06474	3.8
235.02983	6.1
236.99098	8.1
244.08551	4.1
247.01201	1.8
249.04514	1.8
250.17081	2.7
251.00700	33.7
252.01279	1.2
256.01309	3.8
256.08597	3.4
257.01422	3.4
264.16766	1.2
264.25168	1.2
269.01788	3.1
274.02158	1.2
274.05927	2.5
274.97501	8.3
275.00763	8.9
277.03824	1.3
292.98486	5.6
293.01822	10.9
299.11331	2.5
307.04929	1.3
316.07755	2.5
316.10852	3.0
316.14020	15.1
316.19263	1.1
316.69058	2.0
322.71124	1.3
334.11780	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	315.2676
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	0.4
55.05505	3.7
57.07061	1.8
65.03923	0.5
67.05499	5.3
69.03413	1.2
69.07064	5.6
71.04977	0.5
71.08595	0.4
71.40448	0.5
71.40778	0.4
79.05493	5.0
81.03408	1.2
81.07047	18.9
83.04971	4.6
83.08610	3.6
85.01105	0.5
85.02867	0.6
85.06530	0.8
86.09712	0.5
91.05474	4.4
93.07036	9.5
95.04961	5.3
95.08597	21.6
96.08889	0.5
97.06521	1.0
97.10154	1.6
105.07020	6.5
107.04951	1.1
107.08585	11.0
109.06507	56.5
109.10147	10.1
110.06828	0.9
111.04434	1.1
111.08055	0.9
111.11699	0.7
117.07005	1.5
119.08553	6.1
121.06487	1.0
121.10132	7.5
123.04459	0.4
123.08041	2.9
123.11694	4.4
127.03851	0.7
128.06154	0.4
129.07016	0.9
131.08539	2.0
133.10097	4.5
135.08061	1.2
135.11670	6.1
137.09630	0.6
137.13240	8.4
139.07497	0.4
139.11191	0.3
143.08496	1.6
145.10098	4.3
147.11693	3.7
149.09566	0.9
149.13231	5.2
151.11198	1.8
151.14810	1.4
153.09012	0.5
156.08395	0.5
157.10104	1.9
158.10829	0.4
159.11687	3.6
161.09654	1.2
161.13252	2.4
163.11160	1.1
163.14792	2.8
165.12781	0.6
171.11642	1.5
173.09630	0.5
173.13258	2.0
175.07591	0.4
175.11116	0.5
175.14807	1.5
177.12743	1.1
177.16394	0.7
179.07214	0.4
179.14331	0.6
183.11742	0.5
185.13249	1.4
187.14766	1.8
189.16394	1.2
191.14305	0.7
197.13269	0.6
199.14807	2.1
201.16335	0.7
203.10674	0.5
203.17964	0.6
205.12225	0.4
205.15967	0.5
205.19481	0.7
211.14601	0.6
213.16330	1.6
215.17946	0.8
219.21002	0.9
223.14673	0.3
227.17908	0.9
231.13811	0.5
231.21075	0.5
241.19560	0.6
253.19762	0.6
255.21046	2.3
257.22745	0.6
259.16956	0.9
269.22455	0.5
283.09760	0.5
297.14832	0.5
297.22318	0.8
297.25754	1.9
299.11139	0.4
315.23215	11.4
315.26755	100.0
316.23782	0.5
316.27081	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	Cardol triene
Peak:m/z	Relative Intensity
53.03934	1.7
53.89375	0.7
55.01858	0.8
55.05505	9.4
57.03410	0.9
57.07058	2.3
58.13221	0.8
64.92222	0.8
65.03938	0.9
65.77443	0.7
67.05493	15.5
69.03406	2.1
69.07059	13.5
70.14176	2.3
70.14594	1.9
71.04973	2.3
71.08614	0.7
76.24074	0.7
79.05478	12.8
81.03416	1.6
81.07044	22.2
83.04948	2.9
83.08593	5.9
85.02867	1.4
85.06532	1.6
86.09681	0.9
88.25840	0.9
91.05456	12.2
93.07032	27.8
94.07389	0.9
95.04964	4.2
95.08592	37.4
97.02895	1.4
97.06515	2.1
97.10162	3.2
103.05436	2.6
105.07012	20.1
107.04936	2.8
107.08578	32.6
109.06505	7.7
109.10143	25.3
110.10457	1.3
111.04422	0.9
111.08066	1.4
111.11685	0.8
117.06981	5.7
119.08567	25.6
120.08878	0.9
121.06489	2.6
121.10122	29.9
122.10481	1.1
123.04424	1.4
123.08031	1.6
123.11689	10.6
125.05919	0.9
125.09637	1.6
128.06186	1.7
129.06966	2.7
131.04897	1.4
131.08542	9.6
133.10107	20.8
135.08029	3.2
135.11681	21.7
136.12126	0.8
137.05984	0.8
137.09602	1.5
137.13254	2.8
139.07516	2.6
142.07834	1.5
143.08548	8.6
144.09288	1.5
145.10098	16.9
147.08025	1.5
147.11662	16.3
149.05977	2.8
149.09630	1.7
149.13239	9.6
150.13531	1.1
151.07573	1.2
153.09108	2.6
155.08545	0.8
156.09390	1.0
157.10110	10.3
159.11673	19.9
160.12131	1.0
161.09615	2.6
161.13257	12.3
163.07523	2.3
163.11108	1.9
163.14806	6.9
165.09061	1.6
167.10617	1.0
169.10115	1.8
171.11638	9.1
172.12309	0.9
173.09575	0.9
173.13234	10.6
175.11253	1.5
175.14754	6.8
177.09134	2.2
177.16376	1.8
179.10684	1.9
181.10054	0.9
183.11702	2.4
185.09628	1.2
185.13231	10.9
187.11134	1.0
187.14804	7.3
188.15379	0.8
189.12729	1.3
189.16328	5.6
190.16933	0.9
191.10677	2.1
191.14336	1.1
191.17955	2.4
193.12221	2.4
195.11784	1.0
197.13245	1.9
199.14795	11.2
201.12775	1.0
201.16393	3.5
203.10622	1.2
203.14279	1.0
203.17934	2.0
205.12221	2.4
207.13776	2.6
211.14786	2.1
213.12726	1.6
213.16353	7.5
215.17946	5.0
217.12222	1.5
219.13840	3.1
221.15356	1.9
227.14334	1.8
227.17889	2.4
231.13786	2.6
233.15437	2.2
237.16245	1.4
241.15840	1.8
241.19582	1.7
245.15302	4.9
246.16048	0.9
253.19432	2.1
255.10226	1.0
255.17972	1.0
255.21057	21.9
256.21463	1.2
259.16919	6.3
269.22522	2.8
271.24045	1.3
273.18466	2.7
279.21124	2.2
297.22110	6.8
297.25360	1.6
315.23175	100.0
315.26782	12.8
316.23538	7.5
316.27838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2313
Annotation	Cardol triene
Peak:m/z	Relative Intensity
51.42156	0.6
53.03933	1.1
55.05504	10.3
57.03434	0.6
57.07071	3.5
65.03915	1.3
67.05492	14.0
69.03397	1.9
69.07054	13.1
71.04961	1.8
71.08624	0.9
71.79059	0.8
74.09705	0.6
77.03905	0.6
79.05016	0.8
79.05482	13.2
81.03414	3.9
81.07043	24.2
83.04968	4.9
83.08599	7.6
85.02896	1.2
85.06549	1.9
89.82809	0.7
91.04891	1.3
91.05460	14.1
91.10995	0.5
93.07028	34.6
95.04954	3.5
95.08591	36.1
96.08937	1.2
97.02875	1.7
97.06521	2.1
97.10163	2.5
99.04427	0.7
103.05433	1.0
105.07009	22.7
107.04953	1.3
107.08577	35.3
108.08912	0.9
109.02857	1.8
109.06491	9.4
109.10139	26.5
110.10437	1.0
111.04443	1.1
111.08068	1.4
111.11680	1.2
115.05434	1.2
117.06994	6.1
119.08562	30.6
120.08968	0.6
121.06508	1.8
121.10129	33.0
122.10493	1.0
123.04426	2.1
123.08047	2.2
123.11683	12.3
125.05972	1.6
125.09633	1.0
127.03899	0.8
128.06201	1.2
129.06998	3.2
131.08539	12.8
131.09442	1.1
133.06471	0.8
133.10110	21.3
135.04395	0.9
135.08051	2.3
135.11673	20.9
136.12006	1.2
137.05916	1.1
137.13242	3.7
139.07544	2.9
139.11182	0.8
142.07747	1.6
143.08546	7.9
144.09314	1.0
145.10100	20.0
147.07996	0.6
147.11664	18.9
148.12093	0.8
149.05948	1.1
149.09641	1.3
149.13219	10.4
151.07567	1.5
151.14839	0.8
153.09125	2.2
155.08527	1.1
156.09335	1.4
157.10106	10.4
158.10716	0.9
159.08064	0.7
159.11668	18.5
160.12396	0.7
161.09607	1.3
161.13226	16.1
161.14505	1.1
163.07498	2.4
163.11115	1.2
163.14772	7.6
165.09125	1.8
167.10741	1.2
169.10123	2.3
170.10945	1.3
171.11670	11.6
172.12386	0.6
173.09697	0.7
173.13235	10.7
174.13837	1.0
175.11229	1.7
175.14784	7.2
177.09111	2.6
177.12717	0.8
177.16444	1.9
179.10677	1.6
181.10112	0.9
183.11650	2.4
184.12517	0.8
185.09731	0.6
185.13248	12.1
186.13651	0.9
187.11232	0.9
187.14786	8.9
188.15442	1.3
189.09067	0.7
189.12749	1.3
189.16351	5.7
191.10693	2.7
191.14265	0.8
191.17969	1.7
193.12260	1.3
195.11668	0.9
197.13304	2.2
199.11215	0.7
199.14801	14.1
201.12790	0.7
201.16402	3.6
203.10669	1.5
203.17934	2.9
205.12201	3.1
207.13823	1.6
209.13213	1.1
211.14862	2.4
213.12885	1.0
213.16351	8.4
215.14423	0.6
215.17889	4.1
217.12283	1.9
219.13802	3.2
221.15326	0.6
225.16293	1.1
227.14279	1.7
227.17963	2.2
229.15816	0.7
229.19519	0.9
231.13713	3.1
233.15387	2.7
237.07622	1.1
237.16502	0.9
241.15910	1.5
241.19563	1.5
245.15305	5.7
247.16867	0.8
253.19591	1.6
255.17305	1.0
255.17969	1.0
255.21022	20.8
256.21393	1.4
259.16879	6.6
269.22580	3.2
273.18643	3.1
279.20963	1.5
287.23550	0.7
297.18796	1.5
297.22131	5.7
297.25217	1.2
315.23193	100.0
315.26794	15.2
316.23419	11.0
316.27048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2313
Annotation	Cardol triene
Peak:m/z	Relative Intensity
53.03928	1.3
55.05498	8.2
57.07060	2.9
67.05491	13.0
69.03399	1.5
69.07052	13.1
70.99010	1.2
70.99355	0.9
71.04969	1.3
71.08589	0.8
77.30959	0.7
79.05481	13.5
81.03419	1.2
81.07042	21.0
82.07395	0.7
83.04964	2.2
83.08614	6.2
85.02894	0.9
85.06516	2.0
91.05462	11.6
93.07026	29.5
95.04969	4.4
95.08591	34.8
96.08926	0.9
97.02869	1.2
97.06506	2.4
97.10157	2.9
103.05435	0.8
105.07013	21.6
107.04949	1.0
107.08578	34.1
108.08905	0.8
109.06501	5.3
109.10142	23.9
110.10451	0.9
111.08090	1.3
111.11726	1.3
117.07005	4.7
119.08556	28.9
120.08891	0.6
121.06525	2.0
121.10124	32.0
122.10445	0.8
123.04412	2.1
123.08042	1.4
123.11691	10.7
125.05950	1.4
125.09605	1.3
128.06181	1.2
129.07001	3.0
130.07817	1.0
131.08549	11.1
133.06467	0.8
133.10107	19.4
135.08058	2.0
135.11664	20.5
137.05952	0.9
137.09668	1.0
137.13248	3.3
139.07495	2.5
139.11093	0.7
142.07788	1.7
143.08540	7.9
144.09369	1.0
145.10101	17.8
147.08023	0.9
147.11662	15.5
148.12122	0.7
149.05919	0.8
149.09573	1.5
149.13237	11.2
151.07503	1.4
153.09081	2.6
155.08556	0.8
156.09294	1.9
157.10095	11.0
158.10735	0.9
159.11670	18.1
160.12212	0.6
161.09619	2.5
161.13226	15.0
163.07523	2.3
163.11166	0.8
163.14786	8.2
165.09027	1.4
167.10655	1.3
169.10135	1.4
170.10898	1.0
171.11661	11.3
173.09612	0.8
173.13223	10.8
175.11116	1.0
175.14783	6.5
177.09056	2.0
177.16367	2.2
179.10664	2.0
181.10127	0.7
183.11708	2.2
185.09579	0.7
185.13235	12.3
186.13791	0.9
187.14784	8.8
188.15463	0.9
189.09100	1.1
189.12752	1.4
189.16330	6.3
191.10664	2.3
191.14200	0.8
191.17882	2.4
193.12250	2.3
195.11702	0.9
197.13242	2.3
198.13689	0.7
199.10995	1.0
199.14775	10.9
200.15321	0.7
201.12735	1.5
201.16406	3.4
203.10678	1.2
203.14264	0.9
203.17973	2.4
205.12288	2.4
207.13730	2.5
211.14815	2.3
213.12679	0.7
213.16322	9.0
215.14471	0.7
215.17834	4.3
217.12228	2.0
219.13739	4.0
223.14801	1.1
227.14240	1.0
227.17902	2.6
228.18686	0.8
229.19490	1.4
231.13745	2.7
233.15381	1.9
241.15851	1.0
241.19446	1.7
242.84386	0.7
245.15315	4.9
253.19696	1.3
255.21062	22.0
256.21420	1.4
259.16919	5.0
269.22479	3.1
272.17947	0.9
273.18488	2.6
279.21017	1.8
283.09747	0.8
287.20175	1.3
297.22079	6.8
315.23145	100.0
315.26611	6.0
316.23492	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	315.2311
Annotation	UNII-7JU9NL0M8V
Peak:m/z	Relative Intensity
50.60336	0.6
53.03915	1.3
55.01837	1.0
55.05503	9.9
57.07051	2.5
65.03918	0.7
67.05490	13.8
69.03413	1.1
69.07056	13.9
70.87367	0.6
71.04967	0.7
71.08601	0.7
77.03918	0.6
78.88905	0.6
79.05473	11.8
81.07040	19.0
83.04974	1.5
83.08599	6.5
85.06525	1.6
87.04443	2.5
91.05457	14.4
93.07028	30.9
94.07310	0.8
95.04929	2.9
95.08589	36.5
97.02870	1.7
97.06489	2.2
97.10139	2.3
98.21546	1.5
105.07014	22.7
106.07306	1.1
107.08572	34.6
108.08875	1.1
109.06481	2.4
109.10136	26.7
111.08070	1.0
111.11680	0.9
117.06975	6.2
119.08562	30.2
121.06487	2.0
121.10123	32.8
122.10448	1.1
123.04438	1.2
123.08038	1.8
123.11673	10.8
125.05974	1.7
128.06174	0.8
129.06989	3.6
130.07768	0.9
131.08543	12.8
133.10095	20.1
135.08049	1.7
135.11667	24.3
135.80249	0.7
137.13219	2.6
139.07516	2.0
142.07790	1.2
143.08542	8.7
144.09195	1.1
145.10100	18.9
147.07964	1.0
147.11658	17.6
149.09583	1.0
149.13245	9.2
151.07507	1.4
153.09056	2.3
155.08482	1.4
156.09303	1.1
157.10086	11.6
159.11670	18.1
161.09572	1.4
161.13225	14.0
163.07527	2.6
163.11115	1.2
163.14777	7.9
165.09071	2.0
167.10641	1.5
169.10107	1.5
171.11650	11.1
173.13228	11.5
175.11290	1.3
175.14796	7.7
177.09087	2.3
177.12659	1.0
177.16357	2.4
179.10632	2.3
183.11649	2.3
184.12407	0.8
185.13237	10.8
186.13882	0.8
187.14793	7.9
189.12735	1.3
189.16357	5.4
191.10674	1.8
191.17889	1.7
193.12213	2.3
197.13229	1.7
199.11026	1.2
199.14787	11.8
200.15236	1.2
201.16383	3.6
203.10664	1.4
203.17993	3.2
205.12231	2.9
207.13748	1.8
209.13300	1.1
211.14780	2.0
213.16353	8.7
215.17905	4.6
217.12219	2.0
219.13866	3.5
221.15256	1.4
225.16429	0.8
227.14267	1.2
227.17963	2.4
229.19542	1.0
231.13776	3.5
233.15292	2.1
237.16301	0.8
241.15881	1.4
241.19447	2.0
245.15327	5.4
246.15805	1.0
247.16850	0.8
253.19485	1.6
255.18047	1.1
255.21021	24.1
256.21353	1.4
256.26309	1.7
259.16882	7.9
269.22525	3.3
272.17667	1.0
273.18500	3.0
273.22076	0.7
279.21078	1.7
287.23563	0.9
297.22064	6.2
300.06192	0.9
307.21054	0.7
315.08612	1.5
315.23132	100.0
316.23355	8.7
316.28439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.01860	26.1
55.05502	45.1
57.03433	34.1
58.06594	38.1
59.04976	4.9
59.06926	8.0
61.02911	11.3
67.05495	16.0
69.03416	35.7
69.07061	16.3
70.06575	7.4
71.01350	6.4
71.04982	61.2
71.78883	6.2
73.02898	18.6
79.05478	22.8
80.71631	3.7
81.03385	15.6
81.07054	42.5
83.04984	9.0
83.08591	4.6
85.02894	66.7
85.06528	4.0
86.09694	9.6
87.04424	9.7
91.05470	39.7
93.07039	58.3
95.04955	21.7
95.08575	24.4
97.02860	17.4
97.06513	9.2
99.04439	8.3
103.03931	13.9
105.07019	58.4
107.04953	22.4
107.08579	64.2
108.05251	8.2
109.02859	13.2
109.06508	43.1
109.10143	30.9
111.04432	9.2
111.08032	7.1
113.06012	4.6
115.03918	19.4
117.07002	15.3
119.07301	13.5
119.08572	62.6
121.06502	13.8
121.10117	12.5
123.04440	4.8
123.08063	28.9
124.07561	26.0
127.03879	8.1
127.11190	9.2
128.06219	5.0
129.05446	8.7
129.07037	7.4
130.07751	4.3
131.04942	4.5
131.08560	29.3
133.04942	35.0
133.06473	10.0
133.10115	10.7
135.08052	9.7
135.11673	36.8
137.05978	23.6
137.09608	11.5
137.13239	3.4
138.09096	20.7
139.11153	3.9
143.04865	5.7
143.08528	16.0
145.06436	5.6
145.10091	27.9
147.08025	30.8
147.11687	11.1
149.09604	14.8
151.07564	8.6
151.11148	14.3
153.12724	21.4
154.04967	8.2
155.08562	5.7
157.06393	4.0
157.10112	5.1
159.08041	10.9
159.11682	15.2
161.09637	5.6
161.13263	4.0
163.07527	4.8
163.11174	16.6
165.12727	100.0
171.08072	5.9
171.11682	6.8
173.09563	26.8
173.13234	15.7
175.07529	18.9
175.11163	5.5
177.12712	26.2
178.08617	15.4
179.08844	7.0
179.14229	4.6
183.11836	7.4
187.11261	4.1
189.09108	4.7
189.12779	19.5
191.10696	9.5
194.07330	3.7
195.13763	7.1
201.09061	4.6
201.12747	10.1
205.12247	3.8
207.13760	10.3
208.09697	4.1
209.11732	4.6
211.09535	4.2
219.13728	21.7
223.07426	4.1
231.13731	8.1
237.09125	5.0
243.13763	8.6
255.10132	5.6
258.60849	3.2
258.72211	3.6
261.14813	19.9
263.12762	3.4
265.08548	3.6
270.11697	4.6
279.15900	16.6
283.09479	5.3
297.11188	3.7
297.16702	7.4
298.11200	4.2
299.10657	5.3
300.11771	3.5
315.13977	30.7
315.17905	74.0
316.13751	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97632	1.1
55.01860	3.0
55.05504	3.0
57.03423	5.7
58.06309	1.9
58.06593	33.8
59.06930	7.8
61.02908	2.1
63.59027	1.1
65.03932	1.7
67.05488	2.6
69.03412	3.3
69.07055	2.3
70.06567	3.2
71.04977	3.8
71.06119	1.1
71.79250	1.7
72.08132	4.0
73.02959	1.5
79.05473	5.0
81.03398	4.8
81.07048	3.4
83.04968	1.6
84.04488	1.1
84.08117	1.9
85.02895	18.5
86.09686	4.7
87.11317	1.1
90.79569	1.2
91.05483	10.1
93.07030	5.6
95.04959	4.0
95.08606	2.6
97.02866	3.8
97.06504	3.5
98.06073	1.2
103.05466	4.4
105.07053	5.8
107.04944	24.0
107.08546	5.5
108.05265	5.4
109.02876	3.5
109.06494	4.8
109.10115	1.5
111.04409	1.5
115.05450	2.9
117.06954	2.2
119.04926	5.0
119.07301	3.7
119.08576	4.7
120.05692	1.5
121.02833	2.9
121.06487	4.2
121.10129	2.1
123.04437	2.7
123.08042	2.5
125.02316	2.3
125.05997	1.5
127.03901	3.0
129.06946	1.5
131.04892	3.6
131.08565	2.7
133.02867	1.3
133.04951	2.4
133.06493	1.2
133.10071	1.4
135.04401	11.1
135.08032	2.5
135.11664	2.7
137.05980	21.6
138.06335	1.1
143.04904	2.2
145.06500	3.1
146.03629	2.8
147.04405	4.9
147.08078	1.7
149.02356	1.9
149.05959	3.2
149.09496	1.5
151.07513	8.4
152.06136	1.5
152.07843	1.2
153.01805	1.4
153.05429	4.2
153.06938	2.9
154.04953	4.7
155.08492	1.9
161.05942	6.9
162.06726	3.0
163.04007	1.4
163.06227	2.2
163.07510	13.4
165.05609	2.3
165.06985	20.7
165.12697	6.1
166.07773	13.0
167.08469	3.3
168.05637	2.8
169.06367	1.5
171.02895	2.6
171.08020	1.3
173.05838	1.4
173.09595	2.3
174.06749	1.4
175.07521	3.4
175.11089	1.2
176.06212	2.9
176.07855	1.3
176.24577	1.5
177.06973	4.0
177.12741	1.6
178.08633	4.3
179.08855	12.6
181.04974	2.5
181.06471	6.6
182.07237	4.9
183.07988	6.2
185.05946	2.4
189.06970	2.9
191.06975	4.7
191.08540	2.6
192.10178	1.8
193.04845	2.3
193.06435	14.8
194.07242	35.2
195.02875	51.4
195.07925	7.5
196.03313	2.0
196.05219	1.4
196.08678	2.4
197.05949	1.7
197.09622	3.5
197.70964	1.2
199.07512	2.1
203.03339	2.0
205.06465	12.6
206.07257	4.1
207.08061	3.7
208.05231	1.3
208.08675	1.5
209.05978	2.3
209.09627	7.3
210.06757	10.8
210.09914	1.5
211.07455	8.9
212.08188	1.8
219.02858	6.0
219.08020	3.5
221.06046	22.4
222.06718	26.8
223.07359	7.1
224.08290	5.9
225.05414	1.3
225.09113	14.6
226.09824	1.5
227.07074	4.4
228.07901	2.7
231.02855	7.8
233.05954	5.2
235.07481	4.2
236.08154	2.0
237.09084	18.8
238.06242	4.2
238.09406	2.9
239.07062	6.1
239.10611	2.7
240.07799	1.7
241.04807	1.8
241.08438	1.9
249.03758	5.9
250.06203	6.0
251.07021	4.2
252.07744	3.9
253.08560	13.1
254.09328	4.7
255.06464	3.0
255.09930	2.5
256.07196	2.8
264.07626	2.2
265.08572	80.3
266.08856	6.4
267.06668	2.5
267.10117	13.4
268.10577	1.5
269.12003	2.1
270.08792	1.7
270.11786	5.0
271.09668	8.2
272.13690	1.8
281.08017	1.5
282.08786	2.9
283.09622	12.6
284.10483	1.4
285.11185	37.2
286.11450	3.7
297.11194	100.0
298.11340	5.7
299.10977	5.1
300.11804	4.0
315.04886	5.5
315.08557	7.1
315.12225	29.4
315.14279	15.4
315.17831	48.6
316.09549	1.7
316.12610	2.2
316.15549	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	315.1222
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
53.97632	1.1
55.01860	3.0
55.05504	3.0
57.03423	5.7
58.06309	1.9
58.06593	33.8
59.06930	7.8
61.02908	2.1
63.59027	1.1
65.03932	1.7
67.05488	2.6
69.03412	3.3
69.07055	2.3
70.06567	3.2
71.04977	3.8
71.06119	1.1
71.79250	1.7
72.08132	4.0
73.02959	1.5
79.05473	5.0
81.03398	4.8
81.07048	3.4
83.04968	1.6
84.04488	1.1
84.08117	1.9
85.02895	18.5
86.09686	4.7
87.11317	1.1
90.79569	1.2
91.05483	10.1
93.07030	5.6
95.04959	4.0
95.08606	2.6
97.02866	3.8
97.06504	3.5
98.06073	1.2
103.05466	4.4
105.07053	5.8
107.04944	24.0
107.08546	5.5
108.05265	5.4
109.02876	3.5
109.06494	4.8
109.10115	1.5
111.04409	1.5
115.05450	2.9
117.06954	2.2
119.04926	5.0
119.07301	3.7
119.08576	4.7
120.05692	1.5
121.02833	2.9
121.06487	4.2
121.10129	2.1
123.04437	2.7
123.08042	2.5
125.02316	2.3
125.05997	1.5
127.03901	3.0
129.06946	1.5
131.04892	3.6
131.08565	2.7
133.02867	1.3
133.04951	2.4
133.06493	1.2
133.10071	1.4
135.04401	11.1
135.08032	2.5
135.11664	2.7
137.05980	21.6
138.06335	1.1
143.04904	2.2
145.06500	3.1
146.03629	2.8
147.04405	4.9
147.08078	1.7
149.02356	1.9
149.05959	3.2
149.09496	1.5
151.07513	8.4
152.06136	1.5
152.07843	1.2
153.01805	1.4
153.05429	4.2
153.06938	2.9
154.04953	4.7
155.08492	1.9
161.05942	6.9
162.06726	3.0
163.04007	1.4
163.06227	2.2
163.07510	13.4
165.05609	2.3
165.06985	20.7
165.12697	6.1
166.07773	13.0
167.08469	3.3
168.05637	2.8
169.06367	1.5
171.02895	2.6
171.08020	1.3
173.05838	1.4
173.09595	2.3
174.06749	1.4
175.07521	3.4
175.11089	1.2
176.06212	2.9
176.07855	1.3
176.24577	1.5
177.06973	4.0
177.12741	1.6
178.08633	4.3
179.08855	12.6
181.04974	2.5
181.06471	6.6
182.07237	4.9
183.07988	6.2
185.05946	2.4
189.06970	2.9
191.06975	4.7
191.08540	2.6
192.10178	1.8
193.04845	2.3
193.06435	14.8
194.07242	35.2
195.02875	51.4
195.07925	7.5
196.03313	2.0
196.05219	1.4
196.08678	2.4
197.05949	1.7
197.09622	3.5
197.70964	1.2
199.07512	2.1
203.03339	2.0
205.06465	12.6
206.07257	4.1
207.08061	3.7
208.05231	1.3
208.08675	1.5
209.05978	2.3
209.09627	7.3
210.06757	10.8
210.09914	1.5
211.07455	8.9
212.08188	1.8
219.02858	6.0
219.08020	3.5
221.06046	22.4
222.06718	26.8
223.07359	7.1
224.08290	5.9
225.05414	1.3
225.09113	14.6
226.09824	1.5
227.07074	4.4
228.07901	2.7
231.02855	7.8
233.05954	5.2
235.07481	4.2
236.08154	2.0
237.09084	18.8
238.06242	4.2
238.09406	2.9
239.07062	6.1
239.10611	2.7
240.07799	1.7
241.04807	1.8
241.08438	1.9
249.03758	5.9
250.06203	6.0
251.07021	4.2
252.07744	3.9
253.08560	13.1
254.09328	4.7
255.06464	3.0
255.09930	2.5
256.07196	2.8
264.07626	2.2
265.08572	80.3
266.08856	6.4
267.06668	2.5
267.10117	13.4
268.10577	1.5
269.12003	2.1
270.08792	1.7
270.11786	5.0
271.09668	8.2
272.13690	1.8
281.08017	1.5
282.08786	2.9
283.09622	12.6
284.10483	1.4
285.11185	37.2
286.11450	3.7
297.11194	100.0
298.11340	5.7
299.10977	5.1
300.11804	4.0
315.04886	5.5
315.08557	7.1
315.12225	29.4
315.14279	15.4
315.17831	48.6
316.09549	1.7
316.12610	2.2
316.15549	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	315.1068
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
51.25533	0.4
51.61902	0.3
53.03923	0.4
55.01865	0.6
55.05480	0.7
56.05011	0.6
58.06353	0.4
58.06593	6.0
59.06912	0.9
63.58327	0.3
67.05474	0.3
68.04987	0.3
69.03407	1.4
69.07024	0.5
70.06584	3.3
71.78320	0.5
72.08153	1.8
79.05481	1.8
79.28822	0.4
81.03391	1.1
81.07037	0.8
83.06091	1.2
84.04499	0.8
84.08122	1.2
85.02893	2.1
86.09692	3.5
89.03905	6.7
91.05473	1.9
93.07006	0.7
94.06571	0.4
95.04969	0.8
97.02871	0.6
101.29623	0.4
102.05528	0.4
103.05434	0.5
105.07035	0.4
107.04939	4.6
108.05243	0.6
108.08092	0.7
109.02856	1.0
109.06489	0.7
115.05466	0.5
116.07071	2.4
117.03365	7.4
119.04897	0.4
119.07317	0.7
122.06017	0.5
123.04391	1.1
125.05962	0.6
127.03849	0.8
130.06474	0.4
131.04922	0.8
134.05998	0.7
135.04395	17.8
135.08173	0.4
135.09161	1.6
136.04750	0.5
137.05956	5.7
137.08350	3.3
138.09097	0.9
145.02827	13.2
146.03180	0.6
147.04352	0.7
149.06015	0.4
151.07491	0.8
153.05441	3.9
153.09061	0.6
153.10201	4.3
154.08594	1.2
156.08395	0.6
159.04433	0.7
161.05963	0.8
163.03883	100.0
164.04242	2.6
164.06624	1.4
165.05556	0.5
165.06981	1.2
170.06317	8.3
173.12848	0.9
175.07553	0.5
177.05498	0.5
178.08629	10.0
179.08949	13.4
181.04918	1.0
191.07036	0.7
194.07269	1.3
195.02867	0.6
195.07996	0.8
205.06490	0.9
207.08046	0.7
211.07507	0.7
212.08212	0.4
221.06004	0.9
222.06796	1.0
223.07524	0.8
225.09056	0.9
225.68083	0.4
237.09050	1.0
238.09306	0.4
250.06314	0.4
253.08545	0.8
265.08530	3.4
269.12173	0.4
270.11829	0.5
283.09436	1.2
285.11127	1.1
297.11230	3.5
298.14377	1.3
299.11041	1.1
314.68213	0.6
315.04938	0.6
315.08905	0.6
315.14151	13.4
315.17834	6.7
316.13150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1745
Annotation	Laurifine
Peak:m/z	Relative Intensity
55.48265	0.3
58.06590	25.9
61.08589	0.4
71.18575	1.0
79.05479	0.5
91.05460	1.1
93.07015	0.7
95.04935	0.5
103.05467	0.6
107.04935	45.6
108.05244	0.9
115.05421	5.1
117.06986	1.4
119.04923	1.0
121.02848	0.6
121.06506	4.3
131.04912	1.4
137.05952	4.7
143.04889	8.4
145.06467	4.6
147.08018	1.0
151.07504	1.2
162.06775	0.5
163.07503	0.9
166.07758	0.5
175.07512	4.0
176.10588	0.7
177.09097	1.4
178.08572	0.6
181.06400	0.5
181.10165	0.4
183.08034	0.4
191.08525	1.3
192.10155	3.2
194.07256	1.5
194.11760	0.7
195.02710	0.5
205.06470	1.0
207.12531	0.6
209.09601	4.1
211.11082	1.0
219.08002	0.8
222.06697	0.7
223.07449	0.4
232.55212	0.3
233.06030	1.0
237.09053	5.4
238.09669	0.8
239.06895	0.7
239.10599	1.0
247.18204	0.4
249.19214	0.3
254.09280	0.5
265.08554	3.9
269.11673	9.0
270.12000	0.7
271.13214	2.1
297.11169	3.3
314.17438	100.0
315.17798	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	314.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
53.48400	0.8
55.01855	1.4
55.05506	1.9
56.96552	1.7
57.03440	0.9
58.06599	6.0
61.02909	2.2
66.98107	0.8
67.05486	0.7
68.73873	0.8
69.03419	4.6
69.07049	0.9
70.06586	8.4
70.56929	2.7
72.08152	12.0
73.06545	46.1
79.05489	1.0
80.03402	0.7
81.03407	3.5
81.07030	1.6
83.05030	1.1
84.04475	1.6
84.08127	2.4
85.02892	13.5
86.09703	2.9
87.04465	0.8
87.57365	0.8
89.06020	19.8
91.05457	1.8
95.04951	1.0
96.08105	1.4
97.02885	4.2
98.97575	0.8
99.04465	1.2
103.05455	1.0
107.04944	4.0
107.07053	0.9
108.08105	0.9
109.02866	2.2
110.07133	1.2
110.83677	0.9
111.04440	1.5
114.09144	1.5
116.07078	10.3
117.09122	3.5
121.02823	1.1
124.07574	2.5
127.03901	2.3
130.04988	0.9
131.04967	1.1
135.04427	1.4
135.10152	100.0
136.10501	2.4
137.05942	3.3
145.05006	1.7
146.06003	0.9
147.04417	1.4
149.05914	1.3
151.03935	1.1
151.07541	3.0
152.01610	2.8
152.06944	6.2
152.10677	1.8
153.01834	0.9
153.05498	1.5
156.02863	0.9
161.05945	1.1
163.03951	2.4
163.07468	1.4
169.06454	0.9
170.08141	1.0
171.14900	3.0
178.08621	9.9
179.08952	0.8
191.07109	1.2
194.07338	1.4
199.14316	1.9
205.03688	1.3
222.06573	1.0
224.03510	0.8
236.09036	1.2
237.08997	1.1
265.08585	2.6
283.09717	1.0
285.11124	2.2
296.11282	1.2
297.11435	4.4
298.10709	2.1
299.11276	2.2
304.92203	0.9
314.13638	10.4
314.17450	5.8
315.12256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1383
Annotation	Norisocorytuberine
Peak:m/z	Relative Intensity
58.06591	6.0
70.06551	0.3
70.97398	0.7
72.74286	0.2
78.34888	0.2
80.31645	0.2
80.56337	0.2
86.09657	0.2
90.04240	0.2
91.05438	0.9
107.04937	2.2
118.08892	0.2
119.04895	0.7
123.04367	0.6
135.04356	0.5
135.06764	0.3
136.05116	0.2
136.50162	0.2
137.05939	0.8
143.04865	0.3
145.06390	0.3
146.05896	0.2
151.07532	2.4
161.54402	0.2
163.03906	1.4
163.06261	12.5
164.06975	0.4
175.07523	0.4
176.06993	1.0
178.08604	100.0
179.08977	2.0
196.13193	0.3
209.09583	0.3
237.09116	0.3
265.08585	0.3
269.11707	0.7
271.13269	0.2
284.09012	0.2
296.18658	0.3
297.11191	0.3
298.10632	1.1
299.08316	0.3
299.11377	1.1
314.13885	43.2
314.17450	6.3
315.14185	1.8
315.17310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1747
Annotation	Laurifine
Peak:m/z	Relative Intensity
50.38803	0.3
56.05009	0.4
58.06593	86.9
59.06934	0.9
59.16936	0.3
66.65320	0.3
71.70730	0.5
72.08142	0.4
91.05466	1.3
95.04997	0.4
103.05428	0.5
105.07042	0.3
107.04942	33.6
108.05251	0.8
109.02829	0.9
115.05440	1.4
119.04919	0.7
121.06501	3.7
129.07021	0.3
131.04906	1.1
133.06480	0.4
137.05980	4.0
139.94363	0.3
143.04898	3.8
145.06453	3.2
147.04370	0.5
147.08028	1.4
149.05963	0.9
151.07541	4.5
152.07001	0.7
160.05211	1.1
161.05986	0.4
163.06296	0.8
163.07532	1.0
166.07732	0.6
175.07518	6.4
177.09128	0.8
178.08620	5.7
178.66315	0.4
179.08693	0.3
181.06468	0.5
181.10075	0.5
182.07333	0.4
191.08517	1.3
192.10159	2.2
193.10966	0.5
194.07149	1.0
194.21945	0.3
195.07953	0.3
209.09590	3.4
211.11115	1.2
219.07979	1.0
237.09117	3.8
238.09793	0.4
239.10608	1.0
248.50418	0.4
254.09270	0.7
269.11728	10.4
271.13239	4.4
284.09076	0.5
297.11047	0.4
298.10727	9.9
299.11481	6.1
314.13745	22.2
314.17368	100.0
315.14029	1.5
315.17670	6.5
330.12982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1382
Annotation	Pessoine
Peak:m/z	Relative Intensity
52.32734	0.3
52.51788	0.4
58.06590	53.7
70.06583	1.1
70.57135	1.4
72.08153	0.6
79.05530	0.3
84.04514	0.5
86.09717	0.6
89.52528	0.3
91.05483	1.3
93.07039	0.5
95.04961	0.5
97.02880	0.5
99.04507	0.4
103.05486	0.6
105.07040	0.6
107.04939	21.8
109.02885	0.6
109.06488	0.5
109.36033	0.4
114.46662	0.3
115.05461	0.7
117.07063	0.5
119.04933	0.9
119.08582	0.4
121.06478	2.1
131.04924	0.9
133.06500	0.4
134.41284	0.3
136.05252	0.8
136.06219	0.5
137.05940	3.4
138.05525	1.0
143.04884	2.0
145.06448	2.2
147.04373	0.4
147.08038	1.0
149.05971	0.7
150.06801	0.4
151.03812	0.4
151.07510	9.7
151.08679	0.5
152.07019	2.6
155.62668	0.4
157.07634	1.0
160.05188	0.6
162.05533	1.0
162.06746	0.5
163.06308	2.5
163.07515	0.8
164.07101	0.6
165.06993	0.7
165.09175	1.0
175.07501	3.9
176.07071	0.8
177.09132	0.5
178.08607	17.2
179.08931	0.9
181.10172	0.4
192.10255	1.6
194.07298	0.7
209.09589	2.4
211.11313	1.0
219.08125	0.7
226.90454	0.4
236.10840	0.4
237.08966	2.9
238.08839	0.4
241.08766	0.4
254.09489	0.6
256.09558	0.8
265.08759	0.9
268.13434	0.5
269.11658	5.8
270.07788	0.7
271.13257	2.8
280.09949	0.9
282.11575	0.8
283.08530	1.4
284.09198	1.9
285.10187	0.8
296.10071	0.5
296.13058	0.7
296.18756	0.5
297.11154	0.8
298.10696	40.2
299.11456	24.0
300.12036	0.7
314.13977	100.0
314.17642	64.3
315.14236	3.2
315.17941	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1383
Annotation	(+)-Norcularidine
Peak:m/z	Relative Intensity
53.03956	0.5
55.01871	0.5
55.05494	0.6
58.06596	5.5
69.03415	0.7
69.55440	1.3
69.55859	3.1
70.06583	2.2
72.08141	0.9
75.95004	0.4
79.05477	0.5
81.03416	3.0
81.07066	1.0
84.04488	0.7
86.09706	1.0
91.05468	1.6
92.05766	0.6
93.07089	0.6
95.04993	0.6
105.07037	0.6
107.04950	4.3
109.02869	7.4
109.06510	0.6
114.09113	0.7
115.05434	0.6
116.07121	0.7
117.07038	0.5
119.04966	0.4
121.06470	0.6
129.07013	0.4
131.04918	1.0
133.06465	0.5
136.04839	0.7
137.05981	4.0
137.06915	0.8
138.06352	1.3
143.04884	0.8
145.02737	0.6
145.06503	0.8
146.03180	0.5
151.03918	0.5
151.07568	3.0
152.04292	0.6
152.07910	1.3
160.09714	0.5
163.06267	0.7
163.07494	2.6
164.07947	2.3
165.06976	0.9
165.09077	0.6
167.08522	0.5
175.07520	1.0
176.06200	0.6
177.05496	0.9
177.06909	4.7
178.05763	1.2
178.08652	3.4
179.08420	0.5
181.06398	0.9
181.09996	0.7
183.07997	0.9
189.07059	0.7
189.09079	0.7
190.07800	0.5
190.09509	1.0
191.07022	0.4
191.08459	2.4
194.05484	0.9
194.07228	5.6
195.07863	0.5
197.05911	0.5
202.35837	0.4
204.05753	0.7
205.06471	27.5
206.07030	1.4
207.07957	0.5
208.08810	1.1
209.09616	2.3
211.07539	1.3
212.08308	0.5
213.09134	0.4
219.04398	0.6
219.08038	1.7
221.05887	0.9
222.06723	12.5
223.07417	1.6
225.05391	0.7
226.09718	0.8
233.05948	25.0
234.06683	2.1
235.07512	1.1
236.08337	0.5
237.09070	26.9
238.09407	0.7
239.06979	4.0
240.07721	1.6
241.08482	0.7
242.12814	0.5
247.07692	0.6
250.06213	7.4
251.07004	1.8
254.09450	2.4
254.11870	0.6
255.10063	0.9
265.08569	100.0
266.08984	3.4
267.06442	2.6
268.09802	0.4
269.11771	1.4
282.08786	5.1
282.11496	1.0
283.08649	0.7
284.09167	0.7
287.13107	0.6
297.11179	79.9
298.10773	14.0
299.11475	9.7
299.14706	0.6
314.13837	35.6
314.17459	8.9
314.23044	1.0
315.05191	0.6
315.08688	0.9
315.14514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.3
57.03158	0.7
57.03425	13.8
57.07065	43.1
57.24673	0.4
62.89249	0.4
66.87740	0.5
67.05489	8.2
69.07057	7.6
71.04975	0.5
71.08617	26.5
79.05463	0.8
81.06590	0.9
81.07040	11.4
83.08604	8.0
85.06501	0.4
85.10171	14.1
87.04445	0.6
89.06022	2.2
91.05484	0.7
93.07018	1.6
95.08591	16.2
96.08895	0.5
96.70274	0.4
97.06530	0.6
97.10151	4.1
99.11739	0.8
103.07561	1.2
105.06988	0.6
107.08535	0.9
109.10140	8.0
111.11671	0.7
119.08560	0.6
121.10132	0.9
123.11696	3.1
125.13251	0.6
133.10072	0.6
135.11641	0.8
137.13239	1.9
147.11644	0.6
150.41721	0.5
239.23660	3.4
257.04294	0.5
257.24728	4.5
267.21002	0.5
271.16367	0.5
278.63965	0.4
298.10638	1.1
313.27313	100.0
314.13846	3.3
314.27722	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	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.1
57.03429	13.6
57.07067	43.9
59.05003	0.6
65.09276	0.5
66.24577	0.6
67.05495	9.5
69.07056	9.1
71.04962	0.9
71.08621	27.2
71.79897	0.6
71.80330	1.1
81.06587	1.0
81.07044	12.2
83.08604	8.6
85.09667	0.7
85.10173	14.0
89.06019	2.7
91.05442	1.3
93.07022	1.7
95.07990	1.1
95.08592	17.1
97.10146	3.8
97.48872	0.6
99.11726	0.9
103.07572	1.3
107.08572	1.2
109.10156	7.3
111.11696	0.8
115.14048	0.6
119.08579	0.6
123.11706	3.4
125.28839	0.6
137.13235	1.2
149.13290	0.8
179.50024	0.7
184.86624	0.6
218.19925	0.7
239.23637	4.1
245.25246	0.6
257.24625	3.5
298.10776	1.4
298.27219	1.3
299.11569	1.0
303.02780	0.7
313.27313	100.0
314.13760	4.0
314.27713	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76580	0.4
55.05507	5.2
57.03427	13.2
57.07068	39.8
67.05497	7.3
67.42807	0.4
69.07056	7.3
71.08620	28.1
71.49531	0.6
72.08928	0.4
75.04467	0.6
79.05474	0.5
81.07046	10.9
83.08604	9.2
85.06515	0.9
85.10167	13.4
89.06020	2.3
91.05455	0.7
92.67073	0.4
93.07008	0.8
95.08591	15.9
95.09196	0.8
96.08919	0.3
97.06491	0.4
97.10160	4.7
99.11726	1.2
103.07568	2.1
107.08567	0.5
109.10136	7.3
111.08060	0.4
111.11713	1.0
119.19666	0.3
121.10096	0.7
123.11698	2.9
125.09607	0.5
125.13198	0.4
132.99063	0.4
137.13206	1.3
151.14780	0.6
182.34186	0.4
221.22629	0.5
239.23688	3.7
257.04495	0.8
257.24689	3.1
264.20837	0.4
288.15646	0.4
298.10727	1.4
298.27420	1.2
299.11511	0.5
313.27328	100.0
314.10461	0.6
314.13718	2.3
314.27686	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	313.1429
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
53.03939	0.6
55.01859	0.7
55.05495	0.4
64.57930	0.3
65.03943	1.3
67.05495	0.7
68.19283	0.4
69.03422	0.5
69.07054	0.6
70.34377	0.4
71.24493	1.0
77.03912	0.4
79.05495	1.9
79.05876	0.4
81.03415	0.7
81.07035	1.9
85.06537	0.4
87.00823	0.4
91.05469	34.1
92.05811	0.4
93.07055	1.0
94.04163	2.5
95.04951	6.9
95.08591	0.7
97.02882	0.4
101.85023	0.3
103.05457	1.6
105.03349	0.3
105.07008	1.9
107.04940	3.6
108.05717	0.7
109.02876	0.4
109.06496	2.9
109.10152	0.4
111.04346	0.4
114.09170	0.4
115.05447	1.5
117.03284	0.4
117.06996	1.3
117.38994	0.4
119.04928	26.2
119.08527	0.5
120.05265	0.4
120.08090	1.0
121.01397	0.3
121.06509	1.7
122.03629	6.0
122.05995	0.5
123.04419	1.0
123.08064	1.1
128.05287	0.7
128.06204	7.6
129.06989	22.8
131.04926	2.0
131.08556	1.4
132.05667	0.4
133.06464	1.7
135.04362	0.6
135.08038	0.5
136.05180	4.6
137.05962	74.0
138.06299	0.8
140.07138	0.6
143.04892	0.7
143.08562	0.5
144.05688	0.4
145.06480	3.4
146.07202	1.3
147.04395	0.6
147.08049	1.1
149.05933	0.9
151.03981	4.5
151.07524	100.0
152.07834	1.9
155.06061	0.7
156.05659	2.0
157.06471	17.1
158.07210	1.1
159.08101	0.7
160.05197	0.6
161.06015	2.1
161.09650	2.5
163.03836	0.6
163.07510	3.6
165.07024	2.1
167.07140	0.4
167.08533	0.6
169.05011	0.4
169.06456	0.4
169.09744	0.5
173.05933	0.8
174.06749	12.6
175.07524	7.0
176.08258	0.8
177.09099	1.3
178.07729	3.8
179.08519	0.7
181.06470	1.1
181.69968	0.4
182.07207	0.4
187.07617	0.7
189.09084	58.8
190.07712	0.5
190.09489	1.3
191.08519	0.8
192.09311	0.9
193.06465	1.5
193.10100	5.8
194.07161	0.7
195.08020	0.8
197.05963	0.9
202.07736	1.8
203.08527	3.0
205.06548	0.7
205.32448	0.4
206.07217	1.8
207.07858	0.7
209.05875	0.5
210.06731	1.7
211.07491	1.2
212.08345	1.1
220.08823	1.2
221.06137	0.6
221.09593	10.6
223.07455	1.9
224.08234	0.9
225.09088	1.2
227.06935	0.5
229.08575	0.3
231.08093	0.6
234.06740	0.9
235.07487	0.5
237.05484	0.5
237.09116	1.2
238.06155	0.5
238.09833	1.4
239.07085	0.5
241.08548	1.0
248.08371	0.7
249.09087	7.4
250.09825	1.0
251.06964	0.4
252.07930	0.5
253.08519	1.6
253.12227	11.6
254.05865	0.4
254.09169	0.4
263.10632	1.1
265.08505	0.6
266.09247	1.2
267.09943	0.9
269.08047	4.0
270.08728	0.6
272.10361	1.8
281.11700	9.2
282.12192	0.7
284.10422	2.6
285.08484	0.7
285.11234	1.0
295.13245	1.1
298.11795	0.8
311.85580	0.4
313.11209	2.1
313.14288	59.0
314.14529	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	312.1591
Annotation	Thebaine
Peak:m/z	Relative Intensity
55.05471	0.9
58.06569	1.7
69.03396	1.0
69.07041	1.1
69.70777	4.8
70.06557	1.1
72.08113	0.7
73.97571	0.5
79.05477	1.0
80.05781	0.6
81.03375	0.7
81.07016	1.2
84.08099	0.8
85.02876	1.3
86.09660	0.7
88.03983	0.9
91.05434	1.3
93.07000	1.8
95.04921	0.6
95.08558	1.2
97.02846	1.1
98.20726	1.2
98.84358	0.6
105.07041	0.7
105.84303	0.6
107.04877	1.1
107.08543	1.2
108.08144	4.4
108.08769	1.1
109.02829	0.6
109.06458	0.9
109.08399	1.2
110.09714	0.6
111.04405	0.7
114.09096	1.3
121.06446	1.1
122.09610	1.8
131.04901	0.8
135.11688	1.0
137.05937	2.0
145.06400	0.6
146.07231	1.4
150.12782	4.2
151.03865	3.9
151.07390	1.1
151.13426	2.1
160.07521	1.7
160.09605	1.0
162.06665	1.7
163.06178	0.7
165.06836	0.9
165.09081	1.3
166.07635	0.7
167.08510	1.0
174.09108	4.0
175.09912	6.1
177.05441	0.9
177.09088	10.5
178.08522	2.3
179.08661	1.0
181.06445	0.9
183.07797	0.8
190.08664	1.4
193.06441	0.6
194.07256	6.3
195.08034	3.6
204.10231	4.2
206.11745	10.9
207.07986	1.1
208.08884	0.7
208.11356	0.7
209.09521	2.8
210.10364	3.3
211.07509	3.0
222.06714	4.7
222.10258	0.8
223.07487	6.4
224.08052	1.2
225.09027	1.7
226.09827	3.0
237.09172	3.0
238.07552	1.2
238.09853	16.1
239.06967	3.9
239.10545	0.8
240.07590	0.8
240.11417	1.0
241.08475	2.6
241.12155	1.5
250.09807	1.8
252.11282	1.4
253.08574	1.5
253.12103	0.9
254.09363	18.1
268.10928	1.1
268.15265	16.1
269.11700	29.0
270.12015	1.2
270.16898	0.8
280.10373	1.2
281.11520	1.1
281.19720	0.7
283.13263	19.3
284.12964	1.3
312.15781	100.0
313.10840	0.9
313.16238	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	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.00270	0.5
53.03928	0.8
55.01862	1.3
55.05503	36.6
57.03429	14.8
57.06796	1.1
57.07066	18.8
60.78570	0.4
67.05172	0.6
67.05499	5.8
69.07057	42.2
70.07391	1.0
70.38256	1.4
70.38678	0.9
71.08620	11.8
73.02880	1.0
73.06508	0.5
79.05485	3.3
81.07039	7.2
83.04951	1.0
83.08607	37.7
84.08924	1.0
85.10175	5.0
91.94794	0.4
93.07027	4.5
95.08595	5.3
97.06529	3.3
97.10155	27.0
98.10489	0.5
98.20692	0.7
107.08595	3.7
109.10136	1.9
111.08051	2.0
111.11714	8.1
121.10114	3.8
123.11677	1.3
125.09600	0.9
125.13243	1.6
135.11697	4.2
137.13208	1.3
139.11130	1.3
139.14876	0.5
149.13182	1.8
153.12697	0.6
163.14799	1.0
184.48134	0.5
209.11717	0.6
219.21011	1.8
231.97534	0.5
237.11205	0.7
237.22102	0.7
237.28748	0.5
311.25760	100.0
312.26096	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	311.2939
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
53.03933	2.6
55.01847	1.6
55.05504	29.7
57.07069	27.6
67.05497	30.6
69.07058	93.7
69.76324	3.1
69.76750	7.7
70.06567	1.7
70.07430	1.7
71.04966	2.1
71.08630	9.6
79.05479	15.6
81.07045	100.0
83.08606	52.1
85.02855	2.6
85.06534	14.8
85.10155	3.9
85.36070	1.6
91.05477	7.3
93.07033	24.3
95.04987	1.6
95.08591	95.6
96.08892	1.6
97.06505	5.4
97.10155	25.2
99.08083	14.5
105.07002	4.1
107.08578	25.8
109.10137	62.1
111.08060	8.4
111.11705	22.0
119.08561	3.1
121.06544	1.3
121.10118	15.4
123.08080	1.9
123.11689	39.0
125.13260	11.4
129.06897	1.8
133.02841	3.3
133.10101	2.1
135.11693	11.0
137.05948	12.9
137.13228	15.2
139.11169	2.0
141.97697	1.6
145.10060	2.6
149.09578	2.5
149.13231	34.1
151.14769	4.6
153.12686	3.8
155.14278	1.8
157.10085	1.8
159.11647	1.6
161.05922	3.2
163.14786	8.8
165.16354	4.6
167.14273	6.3
177.16370	2.4
179.17931	3.0
187.07494	4.7
190.07672	1.7
191.08537	4.3
193.19475	2.6
205.19479	1.6
211.20459	1.6
219.07997	7.4
219.20999	3.0
236.08307	2.0
247.07387	2.5
249.25745	3.9
251.10699	7.0
257.76981	1.5
275.27240	6.1
279.10071	8.8
280.10315	1.8
293.28339	24.0
294.28830	1.5
311.09341	2.3
311.12692	10.8
311.20374	1.6
311.23642	5.6
311.29416	18.8
312.12845	1.9
312.29837	1.6
334.47202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50616	2.1
53.03925	4.3
55.01852	3.3
55.05232	3.3
55.05501	57.6
57.03428	24.1
57.07064	31.8
65.03931	2.7
67.05493	32.4
69.03400	2.9
69.06680	5.0
69.07056	90.6
69.51488	8.5
69.51913	16.1
71.04984	5.8
71.08621	15.7
72.08137	5.0
79.05487	20.9
81.03403	5.3
81.07040	43.4
83.04986	7.2
83.08603	50.4
83.09073	4.1
85.10163	6.2
91.05473	32.0
93.07033	72.4
95.04955	48.9
95.08590	75.4
97.06523	31.6
97.10153	34.3
105.07011	54.9
107.04969	4.7
107.08584	41.7
109.06520	9.9
109.10133	28.0
111.04436	7.9
111.08050	2.5
111.11697	10.6
115.05479	2.6
117.07005	11.1
119.08566	54.4
121.06483	17.3
121.10125	43.2
123.08061	12.6
123.11687	14.5
125.13252	2.1
129.07031	4.7
130.07747	4.4
131.08517	14.1
133.10110	30.6
135.04376	11.3
135.08043	9.2
135.11679	13.0
137.09573	5.3
137.13272	3.3
142.07748	7.9
143.08556	9.8
144.09349	4.6
145.10110	29.9
147.11652	15.9
149.09644	3.7
149.13249	6.8
153.05479	3.8
156.09306	3.9
157.10088	21.9
159.08095	3.9
159.11676	35.6
161.09595	13.0
161.13216	7.8
161.62405	2.2
163.11195	5.0
163.14726	4.6
169.10101	9.4
171.11667	11.5
173.13228	10.5
175.14795	12.3
177.16342	16.1
181.10039	3.5
181.12291	3.3
183.11661	4.5
185.13252	6.7
187.11134	3.3
187.14810	6.3
189.16396	10.8
191.10640	5.4
191.17963	2.7
197.13210	8.1
199.14810	3.9
201.16330	6.6
203.17964	4.0
209.11668	30.3
209.13254	3.1
211.14865	5.0
213.16386	5.8
215.17940	7.1
219.17352	4.0
219.21091	2.6
223.14738	2.9
225.16161	2.3
227.18010	2.4
237.11200	26.0
237.16318	4.1
241.19501	2.5
255.12260	7.8
255.21060	6.3
267.21097	3.2
293.00864	2.1
293.17477	3.9
293.22574	5.9
311.16193	4.8
311.26022	100.0
311.31482	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	311.221
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01849	5.5
55.05497	4.5
55.76327	1.0
57.03441	1.6
57.06790	1.9
57.07064	27.9
67.05492	16.6
69.03416	2.1
69.07044	5.3
70.06590	1.2
71.01353	1.6
71.04971	6.6
71.08620	1.5
79.05479	7.7
81.03398	1.7
81.07041	29.0
83.04961	7.6
83.08614	2.7
85.02885	11.3
85.06500	1.9
91.05473	13.1
92.40580	1.0
93.07030	11.0
95.04948	2.7
95.08572	9.6
97.02838	1.1
97.06524	3.9
99.04437	2.9
99.08070	2.6
105.07008	15.0
107.04959	3.2
107.08569	13.3
107.20613	1.0
109.02876	4.3
109.06477	2.8
109.10138	24.9
111.03721	2.1
111.04421	18.1
111.08040	1.1
113.05939	1.3
117.06999	1.6
119.08543	7.5
121.06496	1.5
121.10141	4.6
123.08047	1.6
123.11720	3.5
125.05991	6.4
127.07578	1.3
128.06252	1.2
131.08524	2.3
133.10104	26.5
135.04431	3.6
135.11653	4.2
137.09592	3.4
143.08539	2.0
145.10097	4.6
147.11678	1.9
149.02316	1.7
149.09610	2.8
149.13223	2.3
151.11163	17.9
151.12270	2.0
153.05428	18.9
153.12740	1.7
155.10651	3.8
157.10120	1.0
159.11679	2.5
163.03958	1.7
163.11151	6.4
163.17809	1.0
166.45457	1.1
168.38084	1.3
169.10066	1.2
169.12173	6.0
171.72250	1.2
173.13223	1.4
181.04976	5.0
181.12154	6.9
191.10620	12.0
193.04973	4.8
193.08623	1.6
195.13797	8.1
209.11687	100.0
210.12027	3.4
213.14844	1.9
215.12755	2.0
219.10063	1.1
237.11162	88.1
238.11591	4.6
255.12230	28.4
257.19150	1.5
275.19968	11.9
293.17456	11.3
293.21100	14.3
311.18387	9.3
311.25290	13.5
311.74734	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	311.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01860	12.1
55.05501	32.7
56.96551	4.2
57.03421	9.8
57.07069	26.2
65.03898	3.3
67.05499	57.6
69.03419	19.1
69.07059	23.3
69.54716	26.4
69.55139	6.4
70.06586	4.4
71.04990	13.8
79.05483	42.7
81.03382	4.0
81.07047	100.0
83.04977	14.4
83.08607	11.3
85.02884	10.6
85.06516	6.8
91.05465	42.9
93.07040	44.4
95.04971	11.6
95.08596	34.7
97.06521	15.1
97.10136	5.1
99.08079	7.1
105.07015	51.6
107.04933	14.0
107.08578	46.7
109.06493	14.3
109.10147	46.6
111.04401	18.7
111.08073	10.2
115.05401	3.0
116.83347	2.9
117.07030	10.0
119.08561	34.3
120.08869	3.6
121.06484	6.4
121.10148	21.1
122.09673	3.1
123.08054	7.4
123.11691	17.7
125.05977	6.8
125.09595	4.1
126.09933	3.8
127.07607	4.1
129.07059	4.6
131.08553	17.6
133.10103	72.4
135.04359	3.5
135.08026	5.2
135.11679	10.7
137.09593	7.0
143.08566	6.0
144.97867	3.3
145.10117	17.2
147.11646	19.5
149.09616	12.2
149.13258	8.1
151.11137	24.0
153.05423	18.0
155.08517	4.0
157.10141	10.7
159.11702	14.2
161.09668	3.7
161.13251	6.4
163.11197	13.9
165.09024	3.9
165.12839	4.5
169.10138	4.4
169.12234	12.1
171.11671	6.4
173.13205	9.4
181.12186	7.1
183.11729	5.1
185.13269	4.3
187.12904	3.9
191.10716	12.3
193.04979	5.3
193.12236	3.3
195.13823	13.7
199.14844	5.1
201.16377	4.1
209.11691	96.7
211.14787	5.1
213.16487	3.4
232.25652	3.7
235.16881	17.3
237.11169	81.6
238.11539	6.6
239.17984	6.0
247.20563	6.0
255.12167	19.3
257.18970	15.2
275.20004	88.9
293.17593	9.8
293.21106	27.8
294.21674	3.7
298.32071	3.3
309.24091	5.1
311.09122	4.3
311.19681	7.0
311.25659	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	311.221
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03931	3.0
55.01858	4.9
55.05504	14.9
57.03412	6.3
57.07060	16.3
64.82552	1.5
65.03915	1.7
67.05492	26.4
68.18154	1.3
68.59591	1.4
69.03413	4.2
69.07056	19.7
69.39997	1.4
70.06583	4.4
71.04980	5.0
71.79162	2.4
71.79550	1.6
73.06529	1.6
79.05068	2.4
79.05479	24.7
81.03410	3.8
81.07040	41.0
83.04975	7.4
83.08595	8.2
85.06538	3.3
91.05462	18.4
92.05776	2.2
93.07027	28.9
95.04947	6.4
95.08588	27.2
97.06506	7.7
97.10160	7.1
99.08087	3.5
105.07008	23.7
106.07332	3.0
107.04952	4.3
107.08572	18.0
108.08916	2.1
109.02853	2.1
109.06506	9.6
109.10131	10.5
111.04430	10.2
111.08051	7.5
117.07007	5.8
119.08537	18.4
120.08939	2.7
121.06505	4.1
121.10117	17.0
122.09669	1.9
123.08066	5.5
123.11719	6.1
125.06019	3.3
125.09612	5.0
129.06978	5.2
130.07303	2.5
131.08543	13.2
132.08900	3.0
133.10110	16.5
135.04408	2.0
135.08031	4.4
135.11661	6.8
137.09587	3.5
139.11124	8.7
141.09065	1.6
143.08549	4.5
144.08839	2.9
145.10107	11.2
146.10495	1.7
147.11632	9.3
149.02309	2.1
149.09557	8.6
151.11200	2.0
153.05409	9.3
157.10135	4.9
158.10506	3.2
159.11664	9.3
161.11397	1.5
161.13246	6.7
162.45518	1.7
163.11182	4.5
167.10641	1.9
169.10124	1.8
171.11693	4.2
173.13268	5.8
175.11278	2.2
175.13091	2.5
175.14827	2.6
177.12675	2.3
181.04903	2.9
181.12170	4.2
183.11691	1.9
185.11653	1.6
185.13240	4.6
186.12769	2.4
187.13187	4.0
187.14845	3.7
189.11115	2.1
191.10654	5.2
193.05063	2.5
201.16360	2.1
203.12775	7.0
203.14423	3.1
209.09663	2.3
209.11668	46.4
210.12134	3.0
213.14670	2.3
219.17453	2.4
221.15195	1.9
223.16794	2.2
227.16226	1.9
235.16737	2.4
237.11162	36.9
239.18036	3.5
247.20453	1.9
253.17957	1.7
255.12178	8.7
255.19356	2.5
257.19016	6.7
265.21722	2.6
267.19452	2.2
275.20013	46.1
293.17502	4.8
293.21158	17.2
311.12869	2.0
311.25598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01859	1.9
55.02980	0.9
55.05503	7.4
56.01376	0.5
56.05024	0.7
56.96556	11.5
57.03436	3.4
59.04973	0.5
60.04491	0.5
60.05645	2.9
60.95837	0.5
60.96350	0.3
61.02606	0.4
61.02917	6.2
67.05489	0.7
68.05014	0.7
69.03421	11.7
69.07037	1.2
69.34693	0.4
69.72804	1.9
69.73212	0.9
70.03724	0.8
70.06584	5.2
70.98084	1.1
71.01341	0.4
71.04973	1.3
71.95255	0.6
72.04507	0.9
72.08143	19.3
72.93745	0.4
73.02905	4.4
73.04031	0.5
73.06516	1.6
73.08469	0.4
74.06050	0.4
74.09684	0.4
74.97586	0.7
79.05470	1.1
79.93903	0.3
81.03404	4.5
81.07041	0.5
82.03737	0.5
82.06539	0.6
82.45853	0.3
83.01299	0.5
84.04488	3.2
84.08125	4.7
84.96008	1.0
85.02893	22.0
85.04810	0.4
86.03214	1.1
86.06041	0.4
86.09700	4.2
87.04461	2.7
88.03979	0.7
88.99113	0.8
89.03899	0.9
89.10789	0.6
91.03925	1.0
91.05473	3.9
92.05789	0.4
93.07004	0.8
94.06600	0.5
95.01337	0.5
95.04935	0.8
96.08101	1.1
97.02880	10.8
97.06508	0.4
97.07642	7.1
98.03230	0.6
98.06041	26.0
98.97571	14.1
99.04443	1.8
99.06354	0.6
101.00839	1.1
101.02369	0.4
102.05482	0.5
102.97018	0.5
103.03943	0.5
103.05419	0.8
107.00176	0.5
107.04948	4.4
108.04457	0.5
109.02882	3.1
109.06505	0.4
110.01318	0.5
110.06012	0.6
110.07145	0.6
110.97541	1.1
111.04415	0.5
112.07578	1.4
112.99118	0.4
113.02327	0.4
113.10754	2.3
114.09141	4.8
114.10265	22.1
115.03932	0.6
115.08676	12.3
115.10579	0.4
116.07079	0.6
116.98608	12.7
117.01867	0.7
117.03344	0.8
117.05693	1.3
117.96735	0.3
118.06510	3.3
119.01878	4.7
119.04931	3.6
119.51964	0.6
120.05186	0.4
120.08100	2.3
120.51240	0.7
121.01574	0.9
121.02847	0.4
121.06477	1.1
122.03604	0.8
122.06015	0.9
123.04425	2.3
123.06689	0.4
125.07100	0.5
126.10239	2.6
127.03909	6.3
128.02281	1.1
128.04262	1.0
128.98575	3.1
129.05482	0.4
129.10231	1.0
129.51801	1.3
130.08621	10.5
131.00226	0.5
131.01830	1.7
131.04836	0.7
131.08980	0.6
131.12892	2.9
132.02028	0.3
132.08072	8.6
132.10168	0.5
133.01643	0.4
133.03491	0.8
133.06441	0.7
133.07491	0.4
134.06012	0.4
134.09586	1.1
134.99635	8.2
135.03311	0.5
135.04384	7.6
136.06181	0.7
136.07547	2.5
137.02863	1.3
137.05951	9.7
137.07982	0.5
138.05458	1.0
138.06371	0.8
139.03795	0.7
140.00182	0.7
140.07036	3.9
140.08142	1.1
141.07379	0.6
143.00130	1.0
143.01877	4.0
144.01974	0.4
145.01668	0.8
145.02667	3.0
145.04901	3.3
146.99629	5.7
147.01396	0.4
147.03194	0.9
147.04355	5.8
148.03828	0.7
148.99324	0.6
149.01161	0.6
149.02824	0.6
149.05984	1.5
149.07022	1.2
150.05478	1.1
150.09117	16.7
151.03870	0.7
151.07535	0.6
152.07074	2.1
153.00677	1.0
153.04366	0.4
153.05444	2.4
155.01889	1.0
155.04611	2.0
156.11288	1.3
157.10831	39.1
158.11139	0.8
158.99666	3.9
159.01050	0.5
159.05013	0.5
160.07547	0.6
160.53030	0.6
161.01204	1.5
161.02930	6.2
161.05896	0.8
162.01753	0.8
162.03105	1.2
162.05351	0.4
162.99196	0.8
163.03879	46.3
164.04231	1.6
164.07045	2.2
165.00668	3.2
165.05458	0.9
166.04962	4.5
167.07014	3.3
168.01848	0.9
168.03191	0.5
169.51271	0.9
170.01416	0.7
170.99678	0.7
171.04880	0.4
172.97490	0.7
173.01543	0.4
173.02956	2.0
173.06723	1.7
173.13965	3.0
174.04396	0.7
174.99248	0.4
175.02663	0.5
175.51248	0.4
176.09209	0.5
177.00694	5.9
177.02135	0.5
177.06587	2.1
177.09053	0.5
178.51805	0.7
179.07037	1.7
180.08757	1.8
182.03467	0.8
182.08095	1.9
184.02838	0.7
184.04510	0.5
184.06029	1.6
185.02957	0.6
185.06514	1.7
185.09238	0.6
186.04407	2.0
186.99158	0.8
187.52470	0.6
188.07620	0.8
189.00671	1.6
189.02364	0.7
189.04230	0.8
189.13441	0.6
190.95337	0.9
190.98593	2.4
191.02200	0.8
191.03937	1.0
191.07275	0.4
192.10222	0.5
193.00217	0.5
195.01678	1.0
195.05070	0.4
195.07990	0.4
196.02795	2.0
198.06073	1.4
199.04353	0.9
200.02289	0.8
200.06038	0.8
201.00662	1.0
201.04196	0.6
201.53877	3.5
202.03732	0.6
202.05411	0.5
203.02129	0.4
203.03891	1.1
203.07607	1.2
204.05455	2.7
205.00108	1.8
206.08400	0.4
206.11757	0.5
207.01682	0.6
208.04829	3.2
208.55074	0.5
208.99617	0.7
209.03224	0.6
211.05692	0.4
211.52415	0.7
211.54611	1.1
212.02405	0.8
212.04401	1.0
213.03198	2.4
213.12369	0.5
214.03786	5.0
215.04021	0.8
215.07631	1.1
216.07123	0.8
217.00189	0.6
217.05438	4.7
217.55656	0.8
218.98055	0.5
219.01668	2.7
219.55739	0.8
220.52695	0.8
220.54565	0.6
220.58034	0.6
221.03081	1.4
221.04985	1.2
221.08449	0.7
221.12808	0.6
221.53670	1.0
222.04028	0.6
222.06445	0.8
222.08798	1.2
222.11238	1.0
223.01207	1.5
223.04623	0.5
223.07547	0.5
227.06792	1.1
228.05336	0.9
229.04704	0.7
229.55040	0.6
230.08554	1.1
230.58026	0.4
232.04994	0.6
232.99568	0.6
233.12805	6.7
234.11232	6.0
235.02960	0.7
237.02734	3.1
237.05957	0.7
240.01828	1.2
242.03609	0.5
245.06758	0.5
247.01202	0.9
247.10709	0.5
248.13895	1.8
251.04694	0.6
251.13893	1.0
251.55188	0.5
252.12172	2.6
253.03764	1.0
257.08859	0.6
258.02991	2.7
261.02905	0.5
265.08740	0.6
265.11609	0.6
269.05338	0.4
272.05527	0.8
275.09695	1.2
276.13400	10.4
277.13620	0.6
280.54965	0.6
281.16080	0.4
287.05615	0.4
287.98093	0.5
291.07346	0.8
293.05661	0.6
293.10898	5.3
293.16000	10.3
294.10858	0.5
295.10541	0.7
299.04553	0.5
302.06537	2.3
302.56674	0.7
309.08472	3.1
311.07364	3.4
311.17090	100.0
312.11407	0.9
312.14355	19.7
312.17462	4.6
330.08466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2522
Annotation	Holaromine
Peak:m/z	Relative Intensity
53.03928	0.5
55.05505	1.9
56.05006	0.4
57.07056	0.8
60.97366	0.3
64.87276	0.4
67.05496	2.9
68.05025	0.3
69.07048	2.1
70.03090	1.8
70.06577	5.3
71.99387	0.3
79.05482	4.3
81.07039	3.5
83.07339	1.5
83.08588	0.4
84.08121	0.4
91.05456	3.7
93.06490	0.5
93.07030	5.4
95.04974	0.8
95.08569	1.4
96.08113	3.5
97.10138	0.4
105.07010	5.2
106.07324	0.5
107.08582	3.1
108.08082	1.4
109.08821	0.3
109.10152	0.6
111.04398	0.5
117.05707	0.4
117.07004	2.5
118.06487	0.4
119.08562	5.2
120.08073	1.1
121.10136	0.6
122.09642	4.7
124.11201	0.6
128.06194	0.7
129.06985	4.7
131.08543	6.1
132.08113	0.6
133.10103	2.6
134.09616	0.9
135.11580	0.5
136.11179	1.4
137.05981	0.6
137.11952	2.1
137.80179	0.3
138.06252	0.5
139.06448	0.5
140.06752	0.8
141.06975	0.7
142.07776	0.8
143.08533	3.9
144.09293	1.1
145.10086	3.8
146.09622	2.2
147.10312	0.5
147.11623	0.6
148.11139	1.0
149.13249	0.8
150.12750	1.0
155.08569	0.6
156.09291	0.6
157.08868	0.7
157.10086	4.7
158.09579	0.4
158.10847	0.5
159.11694	1.2
160.11194	1.3
161.13234	1.7
162.12778	0.7
169.10112	0.8
170.09605	0.5
171.11621	1.8
172.11147	0.8
172.12454	0.4
173.11871	0.8
173.13226	5.7
174.12727	3.6
175.14830	0.6
176.14369	0.6
183.11662	1.0
184.11200	1.2
185.11873	0.4
185.13268	1.2
186.12759	6.0
187.13329	0.5
188.14287	1.6
190.15926	0.7
195.11737	0.5
197.13264	0.4
198.12741	1.4
199.14830	1.2
200.14281	1.4
209.11693	2.4
211.13399	0.5
212.14314	2.7
213.14980	0.7
214.15880	0.7
214.73715	0.4
224.14342	1.0
226.15831	3.3
227.17883	0.9
228.17424	1.5
229.18086	0.8
237.11159	2.0
238.15858	1.8
240.17427	3.9
241.18105	1.5
242.18881	0.5
252.17419	3.0
254.19012	2.5
255.12271	0.4
255.19560	0.7
266.19049	1.6
275.19949	1.6
280.20557	2.9
281.21274	0.7
282.21826	0.4
293.17621	0.5
295.39099	0.4
300.23080	0.3
308.23636	1.2
310.25241	100.0
311.25522	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	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.00295	1.0
53.03939	2.6
55.01861	4.2
55.05224	1.5
55.05505	28.1
57.03426	3.2
57.06791	1.1
57.07066	17.4
59.04994	15.2
61.02891	1.2
63.43916	1.0
65.03927	1.6
65.23798	1.0
67.05497	36.4
67.06927	1.0
69.03424	7.5
69.07059	85.8
71.04983	7.4
71.08635	9.6
71.48468	2.2
73.06548	3.0
75.04460	1.6
79.05485	15.6
81.03416	6.5
81.07047	100.0
82.07381	2.1
83.04958	3.7
83.08606	41.0
85.02894	12.1
85.06535	11.4
85.10178	3.2
91.05463	13.7
92.05797	1.1
93.07028	41.0
95.04954	4.6
95.08594	82.2
96.08910	2.7
97.02894	1.8
97.06522	9.6
97.10155	12.2
99.08073	6.6
105.07018	12.5
107.08579	39.3
109.02845	5.0
109.06512	5.5
109.10143	48.4
110.10506	1.3
111.08066	32.9
111.08804	2.2
111.11697	7.6
111.75303	1.0
113.09635	2.9
115.07554	1.6
117.07011	1.4
117.09145	2.7
118.06561	5.5
119.04933	15.7
119.08572	11.1
121.06497	1.9
121.10132	23.0
123.08081	3.2
123.11693	45.8
124.12048	2.4
125.09603	4.7
125.13256	4.3
127.11169	1.3
129.05478	1.9
133.10110	6.6
135.11676	19.8
137.13248	20.2
139.11189	5.2
141.12791	1.1
143.14250	1.3
144.08154	2.3
145.10120	1.2
146.05977	14.2
147.04391	73.3
147.11649	9.2
148.04729	4.1
149.09625	1.2
149.13243	20.9
151.11151	2.9
151.14763	4.7
153.12695	8.5
155.14189	1.3
161.13228	5.9
163.03792	1.1
163.14807	11.5
165.05534	2.1
165.12740	7.0
165.16368	1.8
167.14323	3.2
171.13763	1.8
175.14824	3.7
176.06874	1.2
177.16315	6.7
179.14307	2.6
179.17854	1.5
188.07051	30.4
189.07246	1.8
189.16360	3.2
191.17964	3.0
193.19427	1.3
203.17932	2.2
205.19487	2.0
206.07179	1.3
207.40329	1.2
209.19144	1.9
217.19548	5.6
218.00937	1.0
223.68529	1.2
231.21191	1.3
233.22739	1.4
234.06673	1.9
235.20375	1.7
248.08257	1.3
249.09119	2.3
261.25763	2.0
262.06140	1.8
266.09442	2.0
273.25757	7.8
277.08606	6.2
278.09351	1.1
279.26788	2.5
279.74570	1.1
281.11728	3.0
291.08609	4.2
291.19714	1.4
291.26770	28.8
292.27289	2.5
294.08884	1.9
309.11337	11.4
309.22150	2.3
309.27869	33.4
310.11487	2.1
310.28012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
53.43997	1.2
55.01853	3.0
55.05502	23.0
56.09289	1.3
57.03439	9.6
57.06796	1.4
57.07069	23.9
59.04987	3.0
61.02913	2.2
61.32635	1.6
64.38659	1.4
65.03917	1.9
67.05495	38.4
69.03405	6.1
69.07056	52.5
70.06564	2.1
71.04985	13.4
71.08622	14.2
71.79876	1.4
71.80243	1.8
73.02903	3.0
75.04463	6.2
77.58378	1.3
79.05476	25.9
81.03397	6.3
81.07043	90.3
82.07368	2.2
83.04977	7.9
83.08608	27.2
84.08119	2.0
85.02890	54.2
85.06522	4.8
85.10178	6.9
86.03197	1.7
86.09663	3.7
91.05466	21.3
93.07031	47.4
95.04960	10.0
95.08591	81.2
97.02889	2.7
97.06506	6.6
97.10148	16.9
99.04474	2.6
99.08068	2.7
101.05949	1.7
105.07018	30.0
107.04951	1.3
107.07887	2.8
107.08576	31.7
108.08096	13.9
108.25667	1.4
109.02855	3.9
109.06490	6.4
109.10144	48.3
110.09673	2.5
111.04414	2.7
111.08070	8.5
111.11706	10.5
117.07001	2.4
118.06496	7.6
119.04915	11.3
119.08559	15.6
121.06519	1.8
121.09361	2.3
121.10137	26.1
122.09651	10.2
123.08048	8.8
123.10335	2.2
123.11704	28.9
125.09630	2.6
125.13254	5.8
127.03888	4.3
127.07537	5.0
127.11087	1.7
129.05444	11.5
131.08553	2.8
133.10109	16.1
135.08008	1.7
135.11674	22.9
136.11160	3.6
137.05986	3.0
137.09586	5.6
137.13217	19.2
139.11131	4.7
141.09122	2.5
143.08611	1.9
144.08070	4.2
145.10120	4.8
146.05986	17.6
147.04388	53.0
147.06464	8.5
147.07925	2.1
147.11661	24.0
148.04674	2.3
149.13228	20.1
150.12740	20.6
151.11171	4.2
151.13530	6.2
151.14792	6.7
152.14302	2.1
153.12732	4.9
155.08615	1.7
157.10175	2.2
161.05846	1.7
161.13220	8.8
163.03812	2.7
163.14793	11.8
165.12766	8.5
165.16371	4.8
166.15906	2.8
167.14267	1.5
170.06108	1.9
170.23010	1.3
171.11600	2.1
175.14819	7.8
177.16354	5.8
178.07729	1.9
178.15813	2.1
179.14297	1.7
179.17920	2.7
188.07056	34.5
189.07170	2.1
189.16364	7.8
191.17932	4.0
203.17941	5.4
206.07263	2.8
210.14862	5.5
212.16425	3.4
217.19534	7.2
218.11774	2.0
221.09409	1.5
233.22658	2.0
234.06767	4.4
236.16441	3.0
249.09187	4.0
251.06940	2.2
264.19611	2.0
265.08600	1.9
266.09286	2.4
266.21115	100.0
268.22745	2.9
273.25696	20.8
274.26010	2.9
277.08594	8.7
278.09201	1.7
281.11755	6.9
291.08514	2.9
291.19437	2.5
291.26743	19.4
294.08853	2.2
309.11246	19.3
309.21912	4.7
309.27985	23.5
310.11737	3.3
310.23734	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2781
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.16196	1.0
53.03924	2.3
55.01877	5.2
55.05503	22.7
57.03411	3.3
57.07061	12.9
58.02310	1.1
59.04996	14.6
65.03935	1.1
67.05493	32.9
68.58844	1.0
69.03403	3.7
69.07056	73.7
69.61499	10.3
70.07406	1.4
70.94947	1.2
71.04981	13.6
71.08611	4.1
72.79435	1.1
73.06542	1.2
79.05484	14.3
81.03378	2.1
81.07040	89.9
81.35876	1.0
82.07369	2.0
83.04958	3.7
83.08607	31.8
84.08923	1.4
85.02896	11.7
85.06526	14.1
85.10185	1.1
89.05998	2.8
90.67802	1.2
91.05467	8.3
93.07027	34.1
95.04943	4.2
95.08591	100.0
96.08922	2.0
97.06528	7.1
97.10161	11.9
99.08073	10.5
105.07019	13.8
107.08574	28.1
108.08902	1.1
109.06504	3.9
109.09389	2.0
109.10139	42.0
110.10484	1.5
111.08064	40.9
111.11703	13.6
112.08376	1.6
113.05997	2.1
113.09618	2.1
117.06973	1.0
118.06517	3.6
119.04931	2.5
119.08566	9.2
121.10123	23.1
123.08030	2.9
123.11684	33.4
124.12019	2.1
125.09599	4.6
125.13258	3.7
127.07457	1.0
129.05473	2.1
131.08612	1.2
133.10107	6.8
135.11668	18.1
137.09612	1.6
137.13226	18.4
138.13542	1.0
139.11148	6.6
143.02214	1.3
145.12367	1.1
146.05995	4.5
147.04379	15.2
147.06392	1.3
147.11658	8.8
149.13213	19.8
151.11194	2.4
151.14777	3.4
153.12721	4.5
154.81261	1.0
157.10165	1.2
161.13258	6.5
163.14781	8.6
165.12730	3.6
165.16379	4.4
167.14290	3.3
175.14851	2.6
177.16449	6.6
179.17964	3.8
183.17361	1.2
188.07076	7.3
189.16373	4.1
191.17940	4.9
193.19450	1.8
195.17424	1.3
203.17995	2.6
205.19551	2.2
206.07254	1.1
209.18970	3.8
217.19519	3.1
247.24191	1.9
261.25769	4.2
273.25717	7.8
279.11346	1.2
279.26791	8.1
281.11600	1.4
291.08524	1.5
291.26785	21.7
292.27121	3.1
299.18674	1.1
309.11902	4.1
309.27853	23.5
310.28110	1.4
331.82797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	2.1
55.01854	3.4
55.05498	15.0
57.03414	4.7
57.07063	4.8
59.04974	1.9
60.27303	1.6
63.55154	1.5
65.08421	1.6
67.05497	47.5
69.07059	17.5
70.11803	5.0
70.12216	2.7
71.04997	4.1
71.08624	43.3
73.06529	1.6
73.45462	1.5
79.05018	2.1
79.05482	36.5
81.03397	8.1
81.07046	50.3
83.04977	11.9
83.08600	7.1
85.06516	4.1
91.05470	20.7
93.07031	50.2
95.04958	11.2
95.08595	33.7
97.06523	7.7
97.10141	4.9
98.20747	2.0
99.08078	41.5
105.07012	17.5
107.04932	5.9
107.08582	29.7
107.09257	1.1
107.13245	1.4
109.06512	4.9
109.10136	10.9
111.08068	1.5
113.09634	2.9
117.07010	4.5
117.21300	1.7
119.08550	13.3
121.06438	2.0
121.10131	32.1
123.04384	2.2
123.11679	3.4
127.11199	2.8
129.06979	2.9
131.08557	4.6
133.10139	9.8
135.08022	1.7
135.11676	31.5
137.09610	5.8
139.03523	1.9
141.09032	2.1
143.08533	3.0
144.09323	1.6
145.10085	7.2
145.36606	1.6
145.87460	1.5
147.04445	1.7
147.11659	7.3
149.13246	8.5
151.11131	15.9
153.12720	3.9
157.10159	1.9
159.11697	4.4
161.13182	8.5
163.11153	7.2
163.14787	4.0
164.65712	1.7
165.12778	2.1
167.10602	2.4
171.11708	3.8
175.14758	3.1
177.12703	3.6
179.14290	100.0
180.14561	2.4
181.12282	1.6
185.13097	1.6
189.12784	5.1
195.13794	2.6
207.13737	1.8
221.15276	2.9
235.13272	3.0
235.16901	4.7
241.19398	2.1
259.20535	6.6
275.08853	1.7
277.21594	68.6
278.21875	3.1
291.23239	2.9
304.65826	1.6
309.16977	5.0
309.24323	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	309.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55565	1.9
53.03933	5.2
55.01860	3.8
55.05509	14.6
55.26617	1.7
57.03399	7.0
57.07050	5.3
57.38143	1.7
60.27740	1.8
62.77423	1.7
65.03919	4.3
67.05181	2.3
67.05493	25.8
69.03429	2.2
69.07059	16.5
69.74120	10.6
69.74536	3.8
71.04968	4.8
79.05479	29.4
79.98106	1.9
81.03400	5.2
81.07042	43.9
83.04965	3.8
83.08598	6.3
85.02901	2.5
88.68842	2.0
91.05462	46.8
93.07033	77.0
95.04951	58.9
95.08593	47.8
97.06517	23.4
98.21427	3.1
103.05444	3.8
105.04517	2.8
105.07023	88.4
107.04968	4.0
107.08576	38.2
108.08820	1.9
109.06517	13.0
109.10139	23.5
115.05448	5.7
117.07005	20.7
119.08566	63.7
121.06519	10.8
121.10129	100.0
123.08070	12.7
123.11689	7.4
125.86053	2.1
128.06219	9.7
129.06960	12.3
130.07758	5.8
131.07628	3.1
131.08553	35.3
133.06493	2.5
133.10121	41.1
135.08015	5.1
135.11696	9.2
141.06963	4.3
142.07788	16.8
143.07538	2.9
143.08553	31.7
144.09300	7.1
145.06450	2.9
145.10104	49.2
146.04709	2.2
146.07213	2.1
147.08012	4.0
147.11671	14.0
148.88745	1.8
149.09526	4.2
155.08478	10.5
156.09299	8.3
157.10104	33.1
158.10826	3.3
159.08026	4.1
159.11685	40.3
161.09587	7.5
161.13235	6.9
163.11183	4.2
167.08528	3.6
169.10118	18.6
170.10814	4.7
171.11659	18.4
173.09679	4.2
173.13231	18.7
174.14032	2.2
175.11057	4.0
175.14842	9.3
175.20012	2.0
179.08630	2.5
180.09261	2.4
181.10094	4.8
182.10881	2.1
183.11713	14.0
185.13237	12.2
187.11194	14.0
187.14799	22.7
188.07031	2.6
189.12729	3.9
192.09117	2.3
193.10159	4.0
193.11897	2.3
195.11662	8.2
196.12486	2.4
197.13194	8.6
199.11182	1.9
199.14799	12.0
201.12672	3.0
201.16386	2.9
201.19275	2.3
205.10226	2.0
207.11887	3.8
209.13184	6.4
211.14853	10.0
213.16362	3.2
215.14302	3.5
221.13223	4.7
223.14742	4.7
225.16229	3.2
235.14757	6.1
237.16406	3.1
239.17892	4.6
241.15749	2.6
249.16187	3.0
251.17923	2.1
252.18921	2.9
253.15860	6.0
253.19321	2.9
265.19525	4.2
281.22510	7.1
291.20966	8.7
309.22052	66.0
309.24869	2.9
310.22421	2.1
314.43973	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	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.41892	1.5
51.44457	1.5
53.03938	8.9
55.01860	4.7
55.05506	19.6
57.03419	5.3
57.07060	5.8
58.41824	1.7
65.03933	3.6
67.05495	33.9
69.03410	2.3
69.07059	21.8
70.30110	1.6
70.30436	8.1
71.04963	4.0
77.03915	2.5
79.05486	32.5
81.03402	4.9
81.07046	46.8
83.04965	5.0
83.08617	8.6
85.06497	2.2
91.04908	3.5
91.05465	53.8
93.07033	85.8
94.07350	1.9
95.04956	63.5
95.08598	55.3
97.06517	21.1
97.96284	1.7
98.21664	1.5
103.05452	4.3
105.07019	97.0
107.07898	3.4
107.08580	43.5
108.48040	1.8
109.06522	15.3
109.10142	28.3
115.05427	2.3
117.07009	15.8
119.08565	73.9
121.06510	10.2
121.10129	100.0
122.10481	2.4
123.08038	14.7
123.11674	8.1
128.06207	10.2
129.06989	17.6
130.07767	8.2
131.08546	45.4
133.06369	2.2
133.10107	48.0
134.10388	3.4
135.08054	4.6
135.11674	12.7
141.06949	7.8
142.07788	16.4
143.08543	35.5
144.09303	8.0
145.06480	3.0
145.10107	54.2
147.08014	4.1
147.11661	14.2
149.09584	5.5
149.13283	3.0
153.06915	2.0
154.07724	2.8
155.08553	13.3
156.09334	13.3
157.10098	42.3
158.10857	5.2
159.08002	4.2
159.11679	44.8
161.09630	9.0
161.13232	8.7
163.11214	2.5
165.06911	3.2
167.08560	4.7
168.09315	3.2
169.10100	19.1
170.10844	6.8
171.08049	2.1
171.11674	24.9
172.12413	3.2
173.09592	3.0
173.13220	20.8
175.14851	10.2
179.08528	5.1
181.10095	6.8
182.10889	4.4
183.11707	14.0
184.12387	2.3
185.09671	2.3
185.13223	13.6
186.14021	2.6
187.11220	14.6
187.14795	26.4
189.12656	3.5
189.16373	1.8
193.10060	5.2
194.10921	5.1
195.11685	6.8
196.12398	4.6
197.13165	13.9
199.14799	12.9
200.15555	2.0
201.12625	3.2
201.16347	3.0
205.10080	2.5
206.10905	2.9
207.11694	7.0
209.13260	6.8
211.11320	2.0
211.14742	12.0
213.12622	2.0
213.16368	4.8
215.14355	5.1
220.12399	2.8
221.13177	5.8
222.13878	2.9
223.14769	6.4
225.12698	3.6
225.16327	10.2
235.14784	7.1
237.16235	3.3
239.14252	2.8
239.17897	4.7
249.16327	3.1
253.15842	7.8
265.19565	2.9
267.17438	3.4
281.22382	8.8
291.20950	9.9
309.22067	82.1
310.22504	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	309.2053
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.34721	1.2
52.05648	1.2
53.03928	3.9
55.01861	20.1
55.05499	26.2
57.03428	6.0
57.07056	2.4
59.04977	1.3
65.03916	2.0
67.05490	67.8
69.03411	4.8
69.07050	24.5
70.03526	4.7
70.03952	1.9
71.04970	9.6
78.91553	1.1
79.05011	1.9
79.05473	35.2
81.03401	4.0
81.07037	82.2
82.07371	1.8
83.01321	1.4
83.04963	14.0
83.08616	9.7
85.02885	3.9
85.06515	8.9
85.11641	1.1
91.05463	47.0
93.07027	41.0
95.04943	10.8
95.08588	26.3
96.10080	1.1
97.02910	1.6
97.06525	9.5
97.10149	5.2
99.04426	5.1
99.08079	3.6
101.05995	1.5
105.07008	52.1
106.07280	1.4
107.04919	7.4
107.07811	1.5
107.08025	1.0
107.08571	56.1
109.06515	11.4
109.10133	86.3
110.10464	2.3
111.04421	5.1
111.08043	8.4
113.06001	5.2
115.05394	1.9
117.06997	7.6
117.27903	1.3
119.04992	1.3
119.08557	22.4
121.06490	8.4
121.10127	12.8
121.18159	1.2
121.88450	1.1
123.04384	1.2
123.08038	6.2
123.11674	14.6
125.05978	1.8
125.09602	3.5
127.07528	4.0
129.06996	4.7
131.08543	13.6
133.06490	6.8
133.10097	100.0
134.10471	3.5
135.08081	5.7
135.11678	7.5
137.05952	3.1
137.09624	4.3
139.07530	5.5
142.07771	1.5
143.08543	7.4
145.10104	10.7
147.08057	7.0
147.11650	6.3
149.09543	6.3
149.13191	1.4
151.11147	63.9
152.11536	2.2
156.09351	1.4
157.10156	3.3
159.08064	1.6
159.11649	4.2
161.09624	7.8
161.13193	4.0
163.11166	3.6
165.12689	1.6
165.14014	1.2
167.10683	1.7
169.10059	2.0
169.12207	20.8
171.11656	5.6
173.13239	2.5
175.11163	5.5
177.09117	1.5
177.12778	1.7
179.10638	5.9
181.08594	2.8
181.10075	1.5
181.12202	2.8
183.11687	1.9
185.13210	3.7
187.14696	1.6
189.11214	1.8
189.12758	4.1
195.10170	1.4
199.11185	2.4
199.14757	1.8
203.14314	2.4
207.13771	1.9
215.12706	8.0
217.12204	2.5
223.13261	2.4
227.18053	2.8
245.18982	12.1
246.19397	1.6
255.17441	4.3
263.19992	11.3
273.18436	33.5
291.19470	62.1
292.19894	3.9
309.20444	24.2
309.25748	3.1
310.20691	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03930	1.5
55.01869	4.3
55.05504	18.4
57.03424	0.9
58.61388	0.5
59.04984	0.9
67.05492	9.5
69.03423	3.4
69.07059	8.5
71.04089	1.4
71.04959	1.4
76.28787	0.5
79.05482	11.7
81.03393	2.2
81.06597	0.8
81.07046	12.2
83.04969	2.8
83.08601	10.0
85.02875	1.0
91.05456	6.8
91.20885	0.6
92.99001	0.5
93.07024	7.4
93.69724	0.5
95.01324	0.8
95.04954	5.0
95.08595	5.4
97.02866	2.0
97.06500	1.4
97.10150	15.9
97.10787	0.8
105.07023	5.6
107.04925	3.0
107.05546	0.6
107.08571	7.5
109.02827	0.8
109.06492	1.1
109.10151	2.9
111.04420	1.2
111.08089	1.3
111.96481	0.5
117.07018	3.5
119.04917	1.2
119.08565	6.3
121.06487	2.0
121.10143	2.7
121.10859	0.5
123.08020	3.5
125.09609	9.9
126.09954	0.5
129.06932	1.3
131.08556	4.0
133.06488	2.6
133.10091	2.3
135.08005	1.9
135.11679	1.4
137.09596	1.7
143.08524	2.1
143.10591	0.6
145.10115	3.4
147.08022	3.4
147.11671	2.3
149.09612	1.9
153.09013	0.9
157.10104	1.8
159.11684	0.6
161.09563	1.3
163.11131	1.8
165.09129	1.6
175.11134	0.8
189.11185	6.1
189.12637	0.7
193.12204	0.7
199.14867	0.7
221.11786	0.8
223.13260	5.7
227.12772	0.6
245.19054	1.0
249.14981	1.1
255.17401	1.4
263.20102	0.9
273.18442	7.4
274.18771	0.7
287.89200	0.5
291.19504	100.0
292.19839	5.9
309.20428	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	309.2054
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.97592	2.9
53.03921	4.5
55.01846	14.3
55.05503	24.1
57.03428	19.6
57.07048	5.4
57.77430	3.3
59.04983	5.4
63.07228	3.1
65.03914	6.6
67.05489	73.4
69.03418	15.9
69.07048	18.9
70.06574	5.2
71.04994	18.2
73.86790	3.0
75.04464	5.9
79.05475	50.3
81.03398	12.1
81.07037	62.7
83.04967	15.3
83.08596	9.8
85.02885	46.9
85.06520	12.8
91.05458	43.5
93.07027	42.8
95.04945	100.0
95.08585	28.3
97.02892	3.6
97.06511	6.0
97.10146	4.4
98.21431	9.0
103.05482	4.5
105.07015	32.7
107.04943	15.6
107.08584	28.2
109.06491	68.5
109.10110	10.5
111.04420	10.5
111.08072	5.9
111.11663	3.5
113.05996	17.1
115.05386	3.2
117.03373	6.6
117.06998	15.5
119.04893	15.5
119.08539	23.1
121.06470	10.6
121.10127	16.7
123.08023	8.1
123.11681	3.6
125.09716	3.0
128.06245	4.8
129.05434	10.8
129.06987	14.7
131.08545	26.1
133.06422	4.4
133.10081	13.1
135.04417	14.9
135.08031	43.0
135.11685	9.7
137.05948	2.8
142.07814	3.8
143.08545	17.8
145.02808	9.2
145.10081	23.7
146.05971	6.8
147.04378	70.3
147.06406	6.0
147.08023	7.7
147.11676	7.7
148.04747	3.5
149.09572	9.8
149.13196	4.9
157.10078	8.5
159.08015	4.9
159.11658	12.2
161.09589	11.7
161.13220	3.2
163.03877	77.7
163.11153	8.1
164.04166	3.5
169.10072	3.8
171.11652	5.2
173.13245	8.5
174.12680	4.0
175.11107	7.0
176.11545	3.0
177.12747	3.9
185.13181	5.0
186.12613	4.5
188.07001	4.5
192.71832	3.2
195.11804	2.9
197.13161	4.6
199.14853	4.8
207.11710	3.4
211.14818	3.7
217.15828	13.8
227.17935	3.8
245.18881	5.5
263.19879	4.1
273.18460	30.8
291.19540	48.2
309.09613	5.5
309.20999	6.1
309.25470	4.2
310.25223	51.8
327.80923	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	309.2053
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.15659	1.1
53.03928	3.8
55.01866	7.8
55.05499	29.0
57.03412	6.6
57.07060	1.9
59.04982	1.7
64.38264	1.3
65.03947	1.2
67.05130	2.0
67.05489	36.4
69.03403	8.2
69.07054	22.2
70.04062	13.6
71.04975	10.1
72.08146	1.3
72.47349	1.3
74.31595	1.2
75.04459	1.7
79.05473	28.5
81.03415	7.4
81.07037	53.5
83.04958	10.4
83.08599	19.4
85.02885	21.0
85.06541	3.7
87.04447	1.3
87.68466	1.5
89.21784	1.3
91.05459	23.1
93.07030	24.9
95.04951	13.4
95.08591	21.9
97.02861	4.0
97.06512	4.9
97.10152	20.9
99.04461	2.4
105.04491	1.5
105.07005	22.4
107.04966	6.9
107.08573	25.5
109.06499	5.9
109.10143	19.4
111.04418	3.4
111.08036	3.1
113.05991	3.0
115.05425	1.9
117.07011	6.5
119.04932	2.2
119.08534	15.6
121.06486	5.0
121.10175	6.9
123.04384	2.5
123.08055	11.6
123.11685	3.6
125.09600	14.9
127.07511	1.5
127.76090	1.2
129.05455	3.1
129.06978	4.0
131.08539	9.2
133.06493	4.5
133.10107	26.8
134.10458	1.8
135.08008	4.2
135.11682	3.6
137.09601	3.2
139.07553	1.7
143.08539	4.7
145.10104	9.8
146.05977	2.3
147.04402	4.5
147.06488	2.5
147.08052	5.4
147.11687	4.6
149.09605	4.1
151.11139	14.2
157.10124	4.8
159.11691	3.9
161.09583	4.1
161.13184	1.5
163.03889	3.7
163.11200	2.7
165.09132	2.5
169.10057	2.0
169.12242	3.9
171.10260	1.7
171.11676	3.6
173.13240	3.8
175.11154	2.7
175.14806	1.8
179.10593	3.4
181.10202	1.5
185.13232	2.7
186.12625	1.4
187.11296	1.6
188.07031	3.9
189.11208	12.9
189.12648	1.7
191.10710	2.2
192.43636	1.4
193.12206	2.1
199.14827	1.6
211.13203	2.7
223.13264	6.0
227.17763	1.8
233.15395	1.5
237.16319	2.1
245.19017	4.8
249.14828	2.0
255.17503	2.9
263.20026	4.6
273.18420	23.7
274.18762	2.6
291.19473	100.0
292.19794	7.6
309.15448	3.2
309.20667	13.4
309.24393	6.7
310.14923	3.7
310.21310	2.4
310.25180	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	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03933	1.1
55.01865	4.4
55.05503	4.4
57.03428	31.1
57.07052	1.7
65.03922	1.8
67.05496	26.6
69.03411	3.1
69.07040	2.6
71.04046	1.6
71.04981	3.7
79.05064	1.3
79.05481	11.4
81.03407	1.4
81.07042	10.0
83.04956	1.6
83.08596	1.7
85.02895	3.4
85.06015	1.6
85.06531	30.0
85.43774	0.6
91.05460	10.3
93.07027	9.7
95.04955	38.7
95.08596	6.1
96.05275	1.1
97.06522	2.2
97.10131	0.9
99.08073	0.8
105.07014	7.2
107.04916	3.6
107.08586	8.6
109.06501	34.2
109.10157	1.0
111.08069	1.1
113.05989	100.0
114.06326	2.1
115.05469	1.2
116.06200	0.9
117.06999	6.0
119.08582	4.5
121.06493	1.2
121.10116	3.6
123.08038	1.1
129.06998	3.4
131.08559	7.2
133.06477	0.8
133.10112	3.5
135.08031	27.6
135.11665	2.6
136.08383	1.0
138.58647	0.7
141.06989	0.8
143.08543	3.8
145.10118	5.2
147.04395	1.7
147.08084	1.9
147.11690	1.0
149.09627	3.2
149.13211	1.4
151.11182	0.9
153.63408	0.7
157.10089	3.3
159.08052	0.9
159.11667	3.3
161.09612	4.6
163.03903	3.2
163.11165	1.7
169.10240	0.9
171.11687	1.9
173.09656	0.7
173.13130	1.6
175.11227	1.7
177.12753	1.3
183.11653	1.3
183.28360	0.8
185.13249	1.1
188.07111	0.8
195.13776	1.4
197.13527	1.0
199.11105	1.1
199.14809	2.0
201.12711	1.9
217.15862	11.1
219.13858	1.2
227.17908	1.0
231.90022	0.8
233.15378	1.1
237.16512	0.8
245.18958	0.8
255.17430	1.3
273.18466	13.8
280.77423	0.7
291.19516	44.6
292.19839	2.5
309.20914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	10.3
55.01854	5.5
55.05502	49.7
57.03424	13.4
57.07052	1.5
58.01825	1.5
59.04983	2.1
65.03944	2.4
67.05494	38.1
69.03407	6.7
69.07049	12.7
70.60059	1.4
71.04977	13.9
73.10927	1.5
75.04451	1.9
79.05478	91.2
81.03399	16.5
81.07040	38.6
83.04974	9.2
83.08598	23.6
85.02882	16.3
85.06527	6.9
87.04476	2.6
91.05464	30.6
91.06029	2.1
93.07026	100.0
94.07381	2.7
95.04952	26.6
95.05506	2.5
95.08582	22.1
97.02882	2.4
97.06525	9.2
97.10153	38.0
98.20672	3.6
99.04424	1.3
99.08049	2.4
105.07019	19.4
107.04931	12.3
107.08560	21.3
108.54177	1.3
109.02849	2.5
109.06504	10.0
109.10133	6.2
111.04420	2.4
111.08073	5.1
113.05981	24.4
117.07000	8.7
119.04884	3.3
119.08555	13.3
121.06487	6.2
121.10125	37.2
123.08041	20.7
123.11688	3.9
124.39414	1.4
125.09609	37.0
127.07525	2.1
129.05464	5.5
129.06999	3.8
131.08525	11.1
133.06435	2.5
133.10120	8.2
133.82526	1.4
135.08052	8.4
135.11638	8.1
137.09578	1.7
143.08542	5.2
143.10680	3.3
145.06480	2.9
145.10101	9.3
147.04414	14.9
147.06544	2.2
147.08028	4.4
147.11673	6.4
149.09583	2.8
149.13237	3.0
153.09099	2.4
155.08461	1.9
157.10120	3.0
159.08012	1.8
159.11719	8.1
161.09599	3.3
161.13219	2.8
163.03897	4.7
163.11147	2.8
165.09099	2.9
165.12704	1.9
169.10097	2.5
171.10159	2.0
171.11572	3.8
173.13217	2.0
175.11183	1.9
175.14705	1.4
177.12708	4.0
185.13335	1.9
187.11182	4.9
188.07082	3.0
188.19283	1.4
189.11188	33.9
189.12816	2.7
195.13809	4.6
196.97626	1.4
205.12199	3.5
217.15829	5.0
219.14047	1.6
221.15378	5.0
223.13235	14.2
227.17987	1.7
249.14868	2.6
249.18547	1.6
255.17348	3.5
266.21039	3.6
273.18484	16.9
291.19525	46.1
309.20599	24.4
309.25641	2.5
310.16202	2.2
310.23822	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	309.1553
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.02241	0.7
55.05517	5.0
60.05634	5.6
63.02358	0.9
65.03928	2.2
65.60515	0.9
69.03417	2.5
69.07056	1.5
69.49590	1.0
69.49986	9.6
70.06591	7.8
71.05001	1.2
72.08144	44.1
73.02887	1.8
73.06516	2.0
77.03912	1.0
77.40751	1.1
79.05482	6.5
81.03395	2.1
81.07031	2.5
81.57407	1.1
82.06551	0.9
84.04503	1.9
84.08120	3.5
85.02897	2.7
86.07122	1.2
86.09704	5.0
87.07943	1.3
89.10777	1.1
91.05459	1.4
93.03398	2.6
93.07023	2.1
94.06579	1.0
95.04936	3.4
95.08567	2.0
97.06550	1.2
97.07638	7.4
98.06030	7.0
103.05447	1.3
105.03377	4.8
107.04949	29.3
109.02840	2.7
109.06490	2.1
111.04421	4.4
114.09451	1.8
114.10278	30.2
115.05489	1.3
115.08679	10.1
116.07040	1.1
117.03331	2.1
118.06538	2.0
119.04937	3.2
120.08126	2.2
121.06500	1.4
121.08450	1.2
122.06036	2.0
123.04449	2.7
127.03919	1.1
129.10172	1.8
130.06506	2.0
131.06845	2.2
131.12912	6.9
132.04396	2.0
133.01868	2.0
133.02831	25.0
134.06013	3.6
135.04405	28.8
137.05963	3.2
140.08188	6.8
145.02843	6.7
146.05997	5.7
147.04398	19.1
147.06335	1.1
149.05975	1.9
150.05518	3.6
151.03888	19.4
152.07005	1.2
157.06413	1.1
157.07617	1.7
157.10823	6.2
158.05907	1.3
159.06346	1.5
159.08147	1.3
160.03922	2.8
161.02318	43.5
161.05888	1.1
162.02725	1.2
162.05411	1.3
163.03896	4.3
164.07071	2.8
166.08548	1.5
175.07521	2.4
177.05367	13.1
177.06554	2.1
178.04996	3.5
179.03377	41.4
188.07027	10.6
189.05441	1.3
190.04932	2.2
191.06929	1.4
192.10210	1.6
198.42123	1.0
203.06944	1.4
203.11833	1.9
204.10210	3.9
205.13388	3.0
206.11784	10.9
220.07152	2.1
221.12837	2.1
222.11310	3.4
229.10167	1.1
231.11296	8.8
232.09663	29.9
232.11937	1.9
245.08089	1.1
246.12395	7.9
248.13956	4.9
249.12341	1.9
250.10782	3.1
252.49658	1.0
263.14926	3.1
265.16620	9.4
273.07431	1.9
273.12112	1.5
274.11829	9.1
276.15778	1.3
277.08588	1.8
277.16409	1.4
278.34628	1.2
281.16113	7.4
291.08978	1.7
291.14517	60.5
292.14877	2.7
294.08966	1.9
309.11349	4.9
309.15515	100.0
309.18719	5.8
310.12375	1.5
310.15930	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01849	2.3
55.05497	6.4
57.03426	15.9
57.07058	0.9
59.04985	1.7
61.02901	1.2
65.03918	0.9
66.95749	0.7
67.05489	9.4
69.03423	5.4
69.07054	6.7
71.01340	2.0
71.04982	27.7
71.79559	1.0
73.02901	5.0
75.04468	14.5
77.17653	0.7
79.05468	7.2
81.03391	2.7
81.07039	13.7
83.04964	7.7
83.08598	2.2
85.02888	100.0
85.06522	1.6
87.04450	3.2
91.05451	8.0
92.93562	0.6
93.07023	10.7
95.04953	5.0
95.08580	9.2
97.02882	3.3
97.06508	4.9
97.10148	1.8
99.04427	1.1
99.08077	3.1
101.05978	1.8
101.51598	0.7
103.03958	1.0
105.07002	8.6
107.04933	2.7
107.08574	7.5
108.15231	0.8
109.02856	1.9
109.06490	3.4
109.10154	4.6
111.04430	3.5
111.08060	1.8
111.11731	0.9
113.05977	1.7
115.07529	0.8
117.07004	3.3
118.06503	1.0
119.04910	4.9
119.08541	5.3
121.02905	0.8
121.06499	1.8
121.10133	4.9
123.08058	2.1
123.11703	2.4
125.05972	0.8
125.09594	1.0
127.03900	3.7
127.07553	1.4
127.81022	0.8
129.05453	25.0
129.07004	2.7
131.08521	4.6
133.06491	1.2
133.10098	5.8
135.08035	2.9
135.11652	2.4
137.09647	1.7
143.08565	1.9
145.02771	0.8
145.04919	1.2
145.10071	3.5
146.06010	1.8
147.04399	18.6
147.06476	16.5
147.07785	1.0
147.11671	2.9
149.09499	1.6
149.13235	1.7
151.07607	0.9
151.11166	2.0
153.09009	0.7
155.08563	0.8
157.10051	4.3
159.11707	2.9
161.09616	1.6
161.13263	1.1
163.03920	3.8
163.11205	0.9
163.14705	0.8
165.07542	0.9
169.10141	0.9
171.11617	1.8
173.13264	2.1
175.11153	1.6
177.05457	1.1
183.11713	1.5
185.13251	1.5
188.07050	3.9
193.06961	0.8
197.13321	1.4
199.14815	1.6
201.12840	0.8
213.16541	0.9
217.15942	3.3
219.13777	2.1
227.17876	0.9
233.15324	0.9
235.16893	0.8
237.16502	0.8
243.58192	0.6
245.19180	0.8
253.19496	0.8
255.17439	1.4
263.20108	0.7
273.18445	5.6
291.08560	1.6
291.19470	8.0
309.11472	1.7
309.20935	3.1
309.21628	3.2
309.25400	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	309.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
53.14597	0.7
55.01849	1.0
55.05507	4.0
57.03428	7.7
57.07072	1.0
58.15242	0.8
59.04996	2.0
61.02901	2.1
67.05507	4.2
69.03416	5.5
69.07059	2.0
69.51025	0.7
71.01347	1.4
71.04985	22.1
71.16241	1.1
71.16606	1.8
73.02901	5.1
75.04468	12.6
75.24376	0.8
79.05494	3.7
81.03403	2.3
81.07040	6.0
83.04972	5.1
83.08620	1.6
85.02895	100.0
85.06538	0.9
86.03191	0.8
86.06072	1.7
87.04456	1.3
91.05486	3.0
93.07033	3.7
95.04954	2.3
95.08604	3.4
97.02882	3.9
99.04434	2.4
101.06074	1.4
105.07037	1.6
107.04922	2.6
107.08591	2.1
109.02872	2.2
109.06508	1.5
109.10137	2.5
111.04414	4.4
117.07039	1.2
119.04945	2.0
119.08581	1.9
121.10131	2.5
123.08047	1.7
123.46279	0.9
127.03902	2.6
129.05461	22.7
131.08534	2.0
133.06419	1.0
133.10150	1.3
135.08064	1.0
137.09615	1.1
143.08623	1.0
145.04913	1.0
145.10127	1.9
146.06007	1.9
147.04361	5.7
147.06482	12.4
147.11720	1.4
149.09541	1.0
159.11694	0.9
161.13234	0.9
163.03922	2.6
165.07561	0.9
169.10085	0.8
172.07222	0.9
188.07181	2.0
193.12483	0.9
205.65625	1.0
217.38216	0.9
241.49673	0.9
253.19725	0.8
255.08698	1.4
290.36807	0.8
291.19589	0.9
309.11526	1.1
309.18362	1.3
309.25613	1.3
310.25278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58381	0.5
62.51517	0.4
71.54980	0.7
74.03241	0.4
77.03967	0.4
91.05444	0.6
93.46313	0.6
115.05459	1.0
117.06984	1.6
118.06521	23.0
132.08038	0.6
142.06476	1.5
143.07281	2.3
144.08070	14.2
146.05980	60.1
147.06241	0.7
159.34290	0.5
160.07547	0.9
164.14876	0.4
170.05991	5.3
174.90955	0.4
188.07036	100.0
189.07318	2.0
238.51366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.04425	0.2
51.65477	0.2
53.03920	0.2
55.05501	0.5
57.07050	0.5
58.02959	0.4
59.04980	0.3
59.53202	0.2
67.05481	0.6
69.03409	0.2
69.07060	1.1
70.04065	0.3
70.35718	0.5
70.36115	0.3
71.05006	0.2
71.08612	0.8
79.05474	0.8
81.07040	2.1
83.04996	0.3
85.02872	0.6
91.05465	0.8
93.07005	0.5
93.89787	0.2
94.04177	1.3
95.08592	1.1
98.21394	0.3
102.87414	0.2
104.13461	0.2
104.79480	0.2
105.07020	0.4
107.04931	0.2
107.08608	0.2
109.06519	0.5
119.08565	0.3
121.10106	0.3
122.03631	5.4
125.09737	0.2
129.06982	0.2
130.06473	0.5
131.08551	0.2
135.11664	0.2
137.05959	100.0
137.13205	0.5
138.06284	2.6
139.03889	0.4
140.04228	0.4
145.10086	0.2
146.08076	0.7
147.04329	0.3
155.14305	0.4
165.12781	0.4
172.16959	1.3
176.07112	0.4
184.16951	2.9
185.17441	0.2
291.20190	0.2
291.23108	1.4
308.22241	0.6
308.25781	0.6
309.08981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97506	0.2
55.01860	0.8
55.05492	0.5
56.96557	3.9
57.03428	2.0
58.02969	0.3
60.05654	0.4
60.95842	0.4
61.02925	3.6
62.05266	0.3
65.36576	0.3
65.59281	0.3
69.03422	6.0
70.06583	3.0
70.11614	0.5
70.12023	1.0
70.98116	0.4
71.01330	0.4
71.04964	1.1
72.08152	0.8
73.02897	1.9
76.35832	0.3
81.03413	2.5
82.06554	0.5
83.06097	0.4
84.04476	0.3
84.08133	1.9
84.96021	0.7
85.02898	13.5
86.03188	0.3
86.05531	0.4
86.06057	6.8
86.08475	0.3
86.09698	1.9
87.04455	6.6
88.99140	0.5
91.03913	0.7
91.10760	0.3
97.02879	5.4
98.03261	0.3
98.06039	4.1
98.97572	5.3
99.04447	1.1
99.97898	0.6
100.07601	0.4
101.00912	0.4
101.02378	0.5
102.00943	0.3
102.96869	0.6
103.00571	0.3
104.07088	1.1
109.02872	2.4
110.06025	7.0
110.97549	1.0
111.05540	1.6
112.99139	0.4
114.09172	0.6
115.03896	0.5
116.98610	3.0
117.98923	0.3
119.01907	1.6
120.02006	1.1
121.01688	0.7
121.17292	0.3
127.03903	3.3
128.07065	9.6
128.08170	2.0
128.98578	1.3
129.06583	0.4
129.10208	0.4
130.08614	1.0
131.00174	0.4
131.01886	0.6
132.10207	0.8
133.03439	0.3
134.99637	1.0
137.02884	0.4
143.00108	0.4
143.01889	0.6
144.02052	0.3
145.01631	0.5
145.03395	0.4
145.04980	2.0
146.08110	100.0
146.99612	1.4
147.04964	0.3
147.08479	2.2
154.02859	0.3
154.87117	0.3
156.02043	0.3
158.99654	1.2
160.09700	0.4
161.01128	0.4
161.02957	0.7
161.04565	0.3
162.03117	0.6
162.04411	0.3
163.02797	0.7
165.00743	0.7
167.05629	0.3
169.03284	0.3
170.05188	0.6
170.99619	0.6
173.01257	0.4
173.02899	0.8
175.04506	0.6
177.00710	1.2
177.02153	0.3
177.04291	0.3
178.04918	0.5
185.02924	0.6
188.10330	0.8
188.97069	0.4
189.00688	0.7
190.05801	0.3
190.98705	0.5
196.03941	0.5
199.06384	0.3
201.00722	0.4
201.04411	0.4
203.04181	0.4
205.00243	0.5
205.04370	0.5
205.54494	0.4
206.98059	0.4
207.01830	0.5
216.00555	0.4
218.11366	0.8
218.53479	0.3
219.01759	1.0
219.03502	0.4
220.04195	0.3
221.04991	0.5
223.01285	0.4
227.03966	0.6
228.03769	0.3
228.07538	0.5
237.02821	1.2
238.03101	0.4
248.03122	0.6
248.12411	1.0
249.02814	0.4
251.00739	0.4
252.01233	0.4
263.00674	0.4
265.06003	0.6
266.06378	1.1
289.07718	0.3
290.13428	1.2
304.03543	0.3
308.07849	1.8
308.14459	26.0
309.07559	0.6
309.14853	1.0
321.09531	0.4
323.15192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03925	2.1
53.83437	0.8
54.72053	0.9
55.01848	2.1
55.05270	1.1
55.05503	14.7
55.27962	1.0
56.48525	0.7
57.07063	6.0
59.04967	2.9
62.00019	0.9
67.05493	15.0
69.03410	4.0
69.07058	100.0
70.06571	3.0
71.04973	3.0
71.08604	2.8
73.24272	0.9
79.05480	11.1
81.03419	1.0
81.07043	80.5
82.07381	1.3
83.04993	1.9
83.08608	10.4
85.06535	4.6
91.05470	6.5
93.07030	35.4
95.04949	4.1
95.08589	35.3
96.61720	0.9
97.05940	1.1
97.06517	10.4
97.10167	6.5
98.21507	1.3
99.08060	3.2
105.07017	9.6
107.08577	32.0
109.06480	6.0
109.10136	24.8
110.10460	0.9
111.08068	18.3
111.11700	23.7
119.08556	6.7
121.10130	17.9
123.05668	0.9
123.08051	2.1
123.11687	18.8
125.09599	1.8
125.13216	1.1
128.06192	0.9
131.08559	2.1
132.10205	1.2
133.10091	16.6
135.11688	9.3
137.09566	1.9
137.13245	5.6
139.11159	32.9
145.10091	2.1
146.11758	1.7
147.11685	5.8
149.13239	11.0
151.11159	30.2
151.14767	3.1
153.12752	2.7
154.81920	1.1
159.11665	3.9
161.13228	6.7
163.11264	0.9
163.14781	4.0
165.12755	6.4
167.14285	1.1
169.12213	3.4
173.13188	2.9
175.14787	4.5
177.16348	4.0
179.14325	1.1
187.14746	2.1
189.16342	4.3
191.07275	0.9
191.17906	2.5
195.17455	1.2
201.20401	2.6
203.17882	2.9
215.17905	2.5
233.19052	1.1
244.22661	1.4
245.22884	8.1
259.23898	1.3
271.24133	7.2
277.25266	5.9
289.25214	15.2
290.25589	1.5
307.26379	61.2
308.26501	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.56892	0.6
53.03935	1.3
55.01858	1.4
55.05230	0.8
55.05500	16.2
57.07067	7.2
59.04990	2.0
65.03945	0.6
66.85888	0.5
67.05492	13.7
69.03420	3.8
69.07056	100.0
70.06585	0.5
70.07394	0.9
70.62028	0.5
71.00917	1.5
71.04997	2.8
71.08611	2.8
73.02906	2.3
75.04105	0.5
76.38838	0.6
79.05475	7.8
81.03404	2.4
81.07040	56.7
83.04975	3.4
83.08607	11.6
85.06525	4.8
85.75745	0.6
87.00768	0.5
91.05469	6.8
93.06419	0.8
93.07028	24.4
95.04957	7.6
95.08591	41.3
97.06512	7.5
97.10146	5.8
99.08091	1.5
101.06006	1.2
103.05427	0.6
105.07013	24.6
107.08571	19.6
109.02874	0.9
109.06525	5.2
109.10136	16.8
109.10859	0.9
110.10451	0.6
111.08067	4.4
111.11696	25.5
115.05469	0.9
117.06992	1.3
119.08563	12.9
119.09401	1.0
121.06509	0.7
121.10123	28.7
123.08053	1.5
123.11686	24.2
123.12585	0.5
124.12064	0.7
125.09583	1.3
125.13272	1.8
127.07545	1.2
128.06165	3.8
129.07028	0.6
130.06516	1.2
131.08566	1.3
132.04413	0.6
132.05702	0.7
133.10110	5.5
135.07985	0.7
135.11684	7.5
137.09616	1.2
137.13234	6.0
139.03885	1.1
139.11157	26.8
140.11501	1.0
143.08543	5.5
144.08878	0.6
145.02811	0.8
145.10088	2.4
147.07968	0.5
147.11661	11.5
149.09587	0.8
149.13229	8.0
151.11182	6.6
151.14801	3.1
153.12717	4.0
158.06076	0.7
159.11671	3.2
161.13231	4.3
163.03891	2.2
163.11162	1.5
163.14824	4.1
165.12729	21.4
167.14328	2.9
169.15860	1.7
171.08023	8.5
173.13240	1.6
175.07518	15.8
175.09090	0.6
175.14839	2.3
176.07832	0.6
177.09048	3.0
177.12869	0.5
177.16364	2.3
179.04860	0.7
179.14293	0.7
183.13788	1.4
187.11154	0.8
187.14848	1.8
189.16356	1.9
191.17883	0.8
193.15833	0.7
201.16356	1.5
203.10594	4.3
203.17845	0.9
207.17412	0.8
215.17947	1.9
217.19339	0.8
229.14079	1.5
245.22530	2.6
247.07539	0.6
271.24127	4.0
277.25330	2.3
289.10974	0.5
289.17700	1.2
289.25198	17.6
290.25720	0.7
307.09070	1.2
307.26260	54.2
308.18317	0.8
308.26581	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	307.2627
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03941	3.5
53.83628	1.7
55.05507	23.9
56.58749	1.7
57.03421	2.5
57.07069	11.7
59.04990	10.6
59.19178	1.5
66.48199	1.5
67.05496	30.8
69.03413	7.2
69.07053	53.4
71.01342	1.9
71.04984	15.3
71.08601	2.0
71.79902	2.4
72.08150	1.9
76.02213	3.7
79.05478	25.0
81.03398	4.8
81.07040	88.7
83.04977	5.2
83.08602	18.6
85.02894	4.2
85.06516	5.0
85.37841	1.7
91.05434	13.3
93.07028	53.6
95.04964	8.3
95.08591	100.0
97.06522	16.7
97.10135	10.3
99.04409	3.2
99.08079	5.0
103.03893	1.8
103.05476	1.7
105.07011	22.2
107.04942	3.6
107.08571	50.6
109.02876	2.0
109.06506	8.6
109.10136	61.0
111.08073	13.1
111.11696	10.6
113.06022	2.2
113.09608	2.5
115.07560	2.8
117.06988	5.0
119.08576	25.9
121.06476	6.5
121.10125	35.8
123.08047	3.9
123.11686	37.2
125.09624	7.7
125.13232	2.2
127.03941	1.9
127.07534	3.7
127.11156	8.1
129.06953	2.9
130.06517	4.4
131.08574	8.9
133.10110	17.6
135.08063	4.5
135.11679	25.1
137.06001	3.2
137.09598	4.3
137.13242	28.6
139.03882	12.9
139.11154	7.1
143.08514	3.7
143.10658	7.5
145.09137	2.2
145.10072	11.5
146.08101	3.0
147.11656	18.9
149.09624	4.8
149.13234	37.2
151.03909	2.3
151.11150	4.9
151.14806	9.7
153.09056	2.0
153.12686	2.0
155.10623	3.0
157.10100	3.4
159.08044	2.4
159.11667	10.2
161.09630	3.3
161.13275	12.6
163.03880	4.5
163.11150	8.3
163.14822	8.1
165.12747	3.6
169.10043	2.1
173.09601	4.0
173.13255	7.2
175.14854	8.3
176.06998	4.2
177.05432	4.8
177.09062	2.7
177.16362	3.8
179.04857	1.7
179.10651	2.3
179.14325	3.8
181.12199	3.3
187.11137	4.5
187.14810	6.4
189.09113	2.2
189.16359	4.0
191.10661	2.1
191.17931	3.8
193.15848	2.2
195.80180	1.7
201.16377	7.8
203.17928	11.0
205.12128	12.5
205.19444	8.8
206.12686	2.0
210.14951	1.8
215.17917	4.6
217.19553	2.4
219.08054	2.2
231.21002	4.1
233.05946	2.6
233.18916	2.2
245.22635	4.0
271.17014	2.7
271.24197	16.3
289.14969	2.5
289.17990	9.8
289.21652	2.5
289.25162	30.2
292.07288	2.4
307.09460	7.0
307.19623	2.1
307.26453	32.0
308.02176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86184	2.0
52.01650	2.1
53.03941	20.7
53.29636	2.2
55.01863	29.2
55.05507	23.9
57.03424	3.0
57.07046	2.3
65.03924	3.4
67.05492	55.4
69.03412	3.4
69.07060	48.7
71.04983	3.0
71.30670	3.5
71.30994	3.1
72.25751	2.1
79.05486	35.6
81.03404	42.9
81.07047	84.2
83.04970	11.8
83.08609	11.1
85.06544	5.7
91.05463	45.2
93.07032	47.8
93.07485	1.1
95.01331	4.0
95.04959	17.4
95.08589	41.1
97.06523	56.3
97.10149	5.7
99.08059	4.7
105.07015	69.2
106.82281	2.1
107.04936	31.1
107.08571	20.7
109.06517	9.1
109.10153	9.0
111.08076	3.1
115.05444	2.6
117.06991	17.6
119.04893	2.7
119.08584	33.5
121.06499	6.7
121.10107	10.7
123.04482	2.3
123.08049	11.1
123.11699	3.1
125.09653	5.7
129.06985	3.2
131.08545	25.2
133.10112	40.4
135.08029	7.3
135.11662	19.8
137.09570	5.5
139.07434	3.0
143.08571	4.9
145.06485	7.4
145.10121	20.3
147.11674	19.6
149.09590	19.4
149.13223	12.5
151.11115	4.3
152.81979	2.5
157.10092	3.3
159.11713	23.3
161.13205	5.2
163.11137	6.4
165.09094	3.9
169.10182	6.3
171.11713	4.1
173.13287	6.0
175.14813	3.0
177.12715	21.7
179.14301	15.7
183.11697	4.7
187.11176	14.3
197.13257	3.9
205.12155	6.0
209.15363	6.6
219.13899	2.8
219.17415	5.4
229.19461	2.4
239.17975	4.2
247.20583	2.9
257.18970	9.8
275.20032	100.0
276.20383	8.4
307.22614	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	307.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
55.01865	10.2
55.05494	5.7
57.03427	17.2
57.07047	2.0
58.58287	1.2
59.05007	1.9
60.05628	3.4
61.02919	6.9
67.05493	5.2
68.99781	1.6
69.03430	18.7
69.07050	5.6
70.06561	2.0
71.01353	6.0
71.04985	4.8
71.63679	1.2
71.64015	3.2
72.08151	7.2
73.02917	14.0
76.02218	3.8
79.05489	5.3
81.03411	27.4
81.07046	8.5
83.04974	3.9
83.08620	3.5
84.04510	2.1
85.02906	19.9
85.06531	2.6
86.09688	1.8
87.04431	2.3
89.03910	5.9
91.05459	6.3
93.07034	9.5
94.06543	1.4
95.04948	3.5
95.08604	8.1
97.02876	11.2
97.06517	5.9
97.07603	1.8
99.04445	4.1
103.03944	6.5
103.05445	1.6
105.07003	14.3
107.04955	2.8
107.08582	10.9
109.02851	9.6
109.06517	4.8
109.10132	8.2
111.04446	2.2
111.08103	2.4
114.09159	1.9
114.10274	14.8
115.03919	8.2
115.05494	1.3
115.08709	2.5
117.03374	13.8
117.07006	4.9
119.04940	1.8
119.08574	22.9
120.08078	1.7
121.06475	2.3
121.10136	11.5
123.08066	2.3
123.11696	3.0
125.05951	2.5
127.03932	4.2
127.11180	2.3
128.06281	1.5
129.06979	3.1
130.06516	21.9
131.04926	1.2
131.08569	13.2
131.12907	4.2
132.04425	5.2
133.04948	15.7
133.06505	2.5
133.10115	18.9
135.04416	10.0
135.08078	2.5
135.11685	6.8
137.05923	1.9
137.09665	1.5
139.03870	3.9
141.01816	1.7
142.07732	2.5
143.08546	7.1
145.02840	53.4
145.06499	2.0
145.07628	1.6
145.10132	17.3
146.06047	1.4
147.06499	3.0
147.07977	1.8
147.11671	11.1
148.07541	3.8
148.11166	8.3
149.05989	5.2
149.09616	3.4
149.13185	2.5
155.08545	3.3
157.07594	5.9
157.10132	5.9
158.06012	13.3
158.10916	3.5
159.06471	1.7
159.08151	4.1
159.11710	10.0
161.09639	4.3
161.13304	2.4
162.02243	2.0
163.03899	47.0
163.07553	2.7
164.04219	2.0
164.06989	1.5
169.10127	4.6
170.10806	3.0
171.11716	5.7
173.09637	3.2
173.13243	22.4
174.03937	1.8
175.07362	1.6
175.08723	2.9
175.11142	2.7
175.14806	25.5
176.07054	18.2
177.05453	100.0
178.05803	3.5
179.08548	1.6
183.11696	3.0
185.08076	1.4
185.09642	3.5
185.13235	8.5
186.05379	2.0
187.11230	3.7
187.14810	19.3
189.12657	1.5
189.16362	3.6
191.08116	6.9
191.10675	1.9
191.14281	1.8
192.99454	2.0
193.15872	2.0
197.09554	1.7
197.13235	3.6
199.14870	6.8
201.12737	2.2
203.10667	1.4
204.06577	2.8
205.12175	1.5
211.14767	3.3
215.14281	4.2
217.15901	3.4
222.07582	4.5
225.16418	2.6
229.15886	3.9
233.11742	1.6
241.15900	2.7
247.07611	1.4
247.14542	2.6
248.12823	4.2
251.12718	1.6
253.15837	3.9
259.17108	2.3
261.08646	1.8
271.16846	8.2
289.11954	1.4
289.17960	21.9
290.15082	7.4
290.17865	1.6
292.07214	3.2
307.08243	20.7
307.12262	2.9
307.17459	75.5
307.67792	1.7
308.08411	2.7
308.14835	1.4
308.17984	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.45560	2.3
53.03946	3.0
55.01857	6.6
55.05495	8.4
56.16409	2.3
57.03429	16.5
57.07070	3.2
57.42453	2.5
61.02915	13.5
67.05484	11.9
69.03418	29.2
69.07054	12.8
70.06576	5.9
71.01337	34.9
71.04974	6.0
71.15880	5.2
72.08163	10.3
72.93774	2.9
73.02905	33.6
79.05480	8.3
81.03397	16.9
81.07036	16.0
83.04964	7.0
83.08594	4.7
84.04461	2.8
85.02890	26.9
85.06565	3.2
86.09708	2.7
87.04472	3.7
89.03915	3.9
91.05463	15.0
93.07025	18.4
95.01324	3.5
95.04979	11.5
95.08585	20.4
97.02876	13.6
97.06525	3.9
98.06041	2.3
99.04436	6.6
99.08160	2.3
103.03928	9.4
103.05434	3.6
103.98878	2.1
105.07004	27.5
107.04938	5.6
107.08562	19.6
109.02876	6.8
109.06499	11.1
109.10161	12.0
111.04412	3.2
111.08082	3.6
114.10276	15.0
115.03913	9.1
115.08673	5.2
117.03355	13.0
117.05531	1.9
117.06992	15.0
119.08566	50.8
120.08115	2.2
121.06489	10.1
121.10126	23.7
123.08051	6.5
123.11723	2.4
125.05943	3.1
127.03886	6.2
128.06204	3.2
129.06973	7.4
130.06493	29.3
130.51343	2.5
131.08539	29.1
132.04442	8.0
133.04941	10.0
133.06473	5.5
133.10091	34.5
135.04419	2.7
135.08015	4.3
135.11673	4.8
137.05949	3.9
137.09653	2.4
138.09158	2.7
139.03906	4.5
141.06941	4.1
142.07706	3.6
143.08540	16.5
145.02823	58.5
145.06465	6.5
145.10100	34.3
146.08034	3.6
147.08032	4.7
147.11670	20.1
148.07527	4.4
148.11183	4.3
149.05974	6.0
149.09563	7.1
149.13252	3.3
151.07520	2.9
155.07123	3.5
155.08578	6.5
157.06425	2.4
157.07616	9.9
157.10091	17.0
158.06012	21.6
158.10892	10.3
159.08063	7.7
159.11656	24.7
161.09579	8.3
161.13266	5.3
162.02185	3.0
163.03836	15.5
163.11128	3.2
164.07028	3.8
165.09167	2.8
167.07022	4.4
167.08458	3.3
168.09305	2.5
169.10132	9.2
170.10875	5.4
171.08073	3.7
171.11652	9.1
173.08322	2.7
173.09615	7.9
173.13240	46.3
175.08730	4.1
175.11194	6.0
175.14803	52.7
176.07051	21.9
177.05447	100.0
177.12770	2.5
178.05763	2.9
181.10216	4.4
183.11636	4.6
184.12407	5.4
185.09595	6.2
185.13252	22.1
187.11182	6.3
187.14798	32.6
187.16359	3.8
189.16373	9.0
191.08115	28.8
191.14317	5.2
192.99454	11.8
193.15799	3.6
196.12411	3.7
197.13272	6.9
199.14812	15.0
201.09123	3.1
201.12747	4.8
203.10683	3.3
203.14261	4.8
204.06564	5.5
205.12288	3.9
209.11589	3.7
211.11356	2.4
211.14824	9.2
213.12747	2.7
215.10626	8.8
215.14339	7.5
217.15843	12.0
222.07552	7.7
223.14743	3.9
225.16354	5.9
227.14261	5.6
229.15814	5.3
233.11789	3.3
238.99799	3.0
241.15799	6.3
243.17445	2.3
245.15327	3.5
247.14319	2.6
247.16917	3.0
248.12807	4.0
253.15826	5.4
259.16907	5.9
261.08597	3.7
264.07797	2.6
271.16904	23.2
279.10214	2.6
289.11630	4.1
289.17938	39.6
290.14941	6.7
290.18225	4.4
292.07202	4.7
307.09244	11.3
307.12729	13.2
307.18185	65.2
308.18182	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30243	1.5
51.53672	1.2
53.00534	1.6
53.03936	5.3
55.01856	6.1
55.05499	7.7
57.03436	10.3
57.07054	4.3
59.04985	1.9
61.02921	8.7
67.05490	7.9
68.99782	2.6
69.03419	33.7
69.07055	8.7
69.84457	10.8
70.06589	2.8
71.01343	22.9
71.04978	5.7
72.08157	8.5
73.02914	17.4
76.02209	2.3
79.05486	12.7
81.03409	42.3
81.07049	14.2
83.04962	6.4
83.08598	4.6
84.08108	2.3
85.02891	24.1
85.06509	2.9
87.04446	3.4
89.03902	9.1
90.02110	1.5
91.05465	14.9
93.07034	17.0
95.04951	11.1
95.08598	19.7
97.02872	12.5
97.06523	6.5
98.21418	2.0
99.04428	5.0
101.06035	1.7
103.03925	6.5
103.05444	2.8
105.07016	25.8
107.04924	3.9
107.08567	19.7
109.02843	12.3
109.06509	14.2
109.10125	8.7
111.04456	3.0
113.06036	1.7
114.09111	1.5
114.10283	13.2
115.03920	9.0
115.05434	2.2
115.08669	2.6
117.03347	15.7
117.06982	8.8
119.08566	35.7
120.08087	3.5
121.06480	8.4
121.10124	26.8
122.77114	1.6
123.04387	3.5
123.08043	11.7
123.11693	5.1
125.05956	2.3
127.03882	5.6
128.06209	3.5
129.05475	1.7
129.06973	5.6
130.06514	29.0
131.08553	17.6
131.12886	4.7
132.04404	8.0
133.04951	5.1
133.06482	4.6
133.09099	2.5
133.10117	26.1
135.04385	13.2
135.08029	5.8
135.11670	6.0
137.05965	4.1
139.03831	2.7
139.11182	2.5
141.01778	4.8
141.07019	2.8
142.07768	4.8
143.08559	11.9
143.72716	1.8
144.09293	3.0
145.02826	67.1
145.06477	5.9
145.10094	25.0
146.08177	2.4
147.08023	7.1
147.11684	13.0
148.07518	7.5
148.11185	33.6
149.02385	2.3
149.05978	7.4
149.09616	6.9
149.13225	2.6
151.07550	5.0
153.06964	2.6
155.07053	3.5
155.08507	5.3
156.09326	3.2
157.07599	4.2
157.10031	12.1
158.06020	15.1
158.10919	5.6
159.06717	1.7
159.08047	8.7
159.11673	22.1
160.08757	2.6
161.09665	8.1
161.13223	3.7
163.03877	82.5
163.07541	2.3
163.11183	3.5
164.04193	3.7
167.07030	4.8
167.08464	3.4
169.08731	2.6
169.10110	9.6
170.10934	5.0
171.08015	3.4
171.11665	8.5
172.08812	2.7
172.12363	3.0
173.09602	5.9
173.13228	40.4
175.11115	3.1
175.14798	37.7
176.07024	31.7
177.05449	100.0
177.12727	3.5
178.05881	3.1
181.10181	3.5
183.11693	5.9
184.12462	2.5
185.09613	6.1
185.13235	12.9
186.05438	3.3
187.11171	9.4
187.14789	24.9
189.09087	3.5
189.12834	1.8
189.16383	6.2
191.10657	4.1
191.14339	2.2
192.15143	2.9
192.99397	3.2
193.15817	3.2
195.10196	5.1
197.09639	5.2
197.13231	5.2
199.14777	11.9
201.12750	3.7
203.14287	6.0
204.06561	5.3
205.12170	1.8
205.15782	2.1
209.11681	7.8
209.13419	2.3
210.04219	1.9
211.14847	8.0
215.10678	15.8
215.14284	4.9
217.15834	7.4
221.05891	2.2
222.07510	10.4
223.14940	2.9
225.16435	4.9
227.14311	5.5
229.12238	2.9
229.15791	9.1
231.13757	2.0
233.11552	3.1
235.14737	2.0
241.15842	6.4
243.17462	4.1
245.15451	2.9
247.07632	1.9
247.14552	2.6
247.16840	3.0
248.12810	3.6
249.05400	2.8
253.15747	7.6
258.18814	1.9
259.16962	4.5
265.11902	1.9
271.16867	21.6
277.04889	3.5
277.17786	1.8
289.08243	1.7
289.17966	31.6
290.14975	6.6
292.07285	6.0
307.08258	32.1
307.12766	12.8
307.17947	77.3
308.09674	2.2
308.18030	3.4
326.59903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1762
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
60.05640	4.9
70.06573	0.5
71.45693	0.8
71.46021	0.5
72.07767	0.5
72.08149	9.9
77.96640	0.4
87.00759	0.6
89.03905	2.6
89.10773	0.5
90.11880	0.5
95.08568	0.6
97.07639	2.5
97.52634	0.4
98.06017	0.9
108.72843	0.4
114.10284	17.0
115.08636	2.2
117.03364	12.4
130.06508	9.0
131.12907	5.4
132.04405	2.3
134.03641	0.9
135.04378	1.4
145.02831	57.8
146.03146	1.7
146.06020	0.5
149.05952	5.1
157.07599	9.3
157.10817	1.3
158.05991	11.0
158.07924	0.6
163.03897	2.8
175.08659	5.8
176.07086	2.0
177.05447	100.0
178.05800	3.4
186.05467	0.5
191.23492	0.4
201.06523	0.8
203.08104	0.5
222.07625	0.5
232.12080	0.8
243.07571	1.3
247.06911	0.6
247.14397	2.3
248.12866	2.9
261.08667	5.1
262.08893	0.5
265.15402	0.9
289.08084	2.0
290.14957	7.3
307.17599	83.3
308.17990	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	307.1646
Annotation	Metacytofilin
Peak:m/z	Relative Intensity
55.60822	0.1
62.23926	0.2
66.94352	0.1
67.05474	0.3
68.04999	0.9
69.07049	0.2
70.96034	0.3
70.96369	0.2
71.05002	0.2
72.08135	0.2
79.05473	0.9
80.04993	0.3
81.03423	0.2
81.05770	1.7
83.04961	1.7
94.06537	1.1
96.08115	4.5
99.93824	0.2
114.09146	100.0
115.09494	1.9
115.74873	0.2
118.93786	0.2
120.08099	0.4
130.06479	1.5
132.04440	0.5
139.03888	0.5
157.07579	0.8
158.05946	1.3
159.08176	0.2
163.03899	0.4
175.08670	0.8
176.07022	0.3
177.50154	0.2
179.20789	0.2
243.07896	0.2
261.08722	0.4
289.08243	0.2
307.16464	27.7
308.16797	2.0
321.70749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1759
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
51.78988	0.4
57.76628	0.3
60.05645	1.9
71.52518	1.0
72.08144	5.9
81.03424	0.4
89.03907	2.0
97.07655	1.5
98.06057	0.6
99.04494	0.4
114.10275	11.4
115.08664	3.0
115.94001	0.4
117.03362	12.4
130.06476	0.9
131.12926	3.5
134.03616	0.8
135.04399	0.8
145.02826	54.3
146.03198	1.4
149.05948	4.3
157.10843	1.4
158.06203	0.5
162.05705	0.4
163.03880	1.2
176.07082	0.4
177.05441	100.0
178.05829	2.7
185.07539	0.4
186.05467	0.6
231.93083	0.4
232.11998	0.7
247.14380	2.6
248.12773	4.8
265.15472	0.7
290.14969	8.0
296.78348	0.5
307.17596	82.6
308.17950	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	307.0807
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00299	0.4
53.03925	0.8
53.04166	0.2
55.01851	0.9
55.05501	0.3
57.03416	0.3
60.05624	0.6
65.03922	0.8
67.05479	1.1
68.05012	0.4
68.99767	1.2
69.03403	1.7
69.07091	0.3
70.06577	2.4
71.04968	0.4
71.30205	0.3
71.30527	0.5
72.08143	1.3
74.23865	0.3
79.05476	0.8
81.03403	7.8
81.05779	0.4
81.07014	0.5
83.04947	1.1
83.77473	0.3
84.04468	0.3
84.08111	0.7
85.02886	1.1
86.09694	0.6
87.00809	0.5
89.03883	1.1
91.05480	0.5
93.03391	0.8
93.07010	0.5
94.06522	0.5
95.04948	1.1
96.08102	1.2
97.02858	1.1
97.06517	0.4
98.32466	0.3
99.04422	0.9
103.03880	0.3
103.05427	0.4
107.04935	2.0
109.02855	2.0
109.06504	0.4
109.10146	0.4
110.07145	0.5
111.00850	0.3
111.04435	1.7
114.09148	16.7
114.10303	1.2
115.08641	0.5
116.07086	0.6
117.03350	3.0
117.06993	0.3
120.08080	0.5
121.02840	0.8
121.10092	0.5
123.04406	1.5
127.03915	1.6
127.07550	0.4
130.06506	18.5
131.04898	1.2
131.06810	0.4
131.12946	0.6
132.04428	4.9
133.02835	1.2
135.04393	5.2
136.86601	0.3
137.05956	0.6
139.03876	100.0
139.11179	0.6
140.04179	2.3
144.08063	0.3
145.02818	6.7
145.03917	0.5
145.06503	0.6
145.08569	0.5
146.05971	2.1
146.08095	0.3
147.04375	0.7
148.07581	0.9
149.02261	0.3
149.05968	1.4
151.03868	4.5
153.01842	0.4
153.05431	1.0
157.07585	15.4
158.05992	19.0
158.08025	0.5
159.04398	2.1
159.06375	0.5
159.09195	0.7
163.03877	23.5
164.04282	0.6
169.04939	2.9
173.07112	0.7
175.07486	0.2
175.08636	8.7
176.07057	2.7
177.05440	9.3
178.05821	0.3
181.04936	5.6
185.07042	0.5
191.08267	0.3
195.06499	2.8
197.07082	0.5
199.08649	0.4
201.06557	1.2
203.08154	1.8
204.06488	0.7
205.04945	0.8
211.73439	0.3
215.06915	0.3
221.09232	0.5
222.07559	0.8
223.06009	1.1
227.08144	0.4
243.07631	2.0
245.09242	0.9
247.06175	0.4
248.12778	0.9
261.08661	9.8
261.11426	0.6
265.06985	0.3
271.07013	0.7
289.08228	3.6
289.11493	0.5
290.14893	0.5
300.20544	0.3
307.08047	7.9
307.17166	9.2
307.67844	0.9
308.08426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00290	0.5
54.26947	0.2
55.01864	0.8
58.64843	0.2
58.99573	0.4
65.03931	0.9
67.05482	0.9
68.99772	1.0
69.03392	0.3
71.39622	0.5
76.02228	1.5
79.05479	0.3
81.03432	0.3
83.04976	0.6
84.04487	0.7
84.08122	0.3
90.04164	0.2
93.03392	0.8
95.04950	1.5
103.05430	0.2
107.04929	1.1
111.00757	0.3
111.04416	1.5
114.09155	0.9
117.03336	0.2
121.02852	0.9
123.04390	1.1
127.03883	0.7
127.82380	0.2
130.06503	2.1
131.04929	1.0
132.04442	0.7
133.02824	1.5
135.04402	2.9
139.03880	100.0
140.04208	3.6
145.02820	0.4
146.06067	0.3
149.05963	0.8
151.03888	4.8
153.01826	0.5
153.05418	1.1
157.07581	1.6
158.05981	2.5
159.04393	2.4
161.06007	0.2
162.02034	0.5
163.03885	9.8
164.04213	0.4
167.07030	0.3
169.04958	2.3
175.08673	1.0
176.07050	0.4
177.05424	2.8
178.96162	0.2
179.04849	0.6
181.04927	5.0
195.06479	2.7
203.08090	0.2
205.04919	0.8
221.72293	0.2
223.06010	1.4
233.05943	0.4
243.07730	0.3
247.06053	0.6
261.08646	1.3
265.07214	0.3
289.07324	1.0
307.08047	1.4
307.16373	0.5
308.09033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	2.3
56.96559	49.9
57.03426	5.1
61.02905	9.0
69.03414	9.4
70.06570	7.1
70.18932	11.6
70.98101	6.9
71.24087	2.0
72.08128	4.5
73.02898	5.6
78.72979	1.7
80.72178	1.9
81.03384	5.3
84.08135	12.6
84.96020	6.0
85.02889	21.4
86.06045	8.8
86.09683	6.5
87.04452	7.4
88.99130	6.7
96.08102	2.0
97.02872	14.8
98.06039	5.3
98.97568	79.4
99.04423	2.9
100.99124	4.6
101.00889	12.5
107.00169	2.4
109.02869	2.6
110.06020	9.5
110.97557	20.5
112.99142	3.4
114.09165	5.5
115.02402	8.3
116.07083	3.2
116.98613	46.7
117.98917	2.6
119.01897	51.0
120.02008	2.7
124.95447	3.2
124.99159	3.2
127.03886	6.2
128.07062	10.5
128.98587	29.8
130.08621	13.5
131.00146	3.1
131.01863	11.1
132.10201	2.8
133.01732	3.1
133.03482	13.0
134.99649	19.2
137.02988	9.6
140.98491	3.1
142.96541	6.7
143.00154	10.1
143.01898	13.2
144.10220	2.7
144.98070	2.9
145.01683	4.2
145.03470	8.4
145.04932	4.7
146.08112	87.4
146.09151	4.2
146.99649	23.9
147.05005	4.6
149.01218	4.1
149.02904	2.7
152.98582	9.1
155.01881	8.6
157.03441	6.1
157.56683	2.0
158.99637	13.2
161.01212	8.7
161.02942	25.6
162.99133	4.8
163.02756	9.0
163.04509	3.5
165.00685	13.4
168.99826	4.6
170.95984	4.1
170.99658	12.0
171.01297	3.0
172.97609	6.9
173.01370	3.7
173.02956	15.7
173.13974	3.1
174.99126	3.1
175.04553	5.9
177.00713	15.1
177.02249	3.9
185.02914	3.0
186.99301	3.5
187.00890	13.5
187.02554	3.0
187.04517	2.7
188.97060	20.4
189.00772	9.6
189.02261	3.0
190.98714	12.4
191.02295	4.7
191.03918	4.7
193.00075	4.7
197.02921	2.2
198.04726	2.4
201.00722	3.6
202.98680	7.3
203.04001	4.2
205.00131	5.7
205.01988	6.6
205.03787	3.7
206.98123	11.6
207.01674	4.0
208.99625	6.4
212.05206	2.9
215.00400	12.6
217.03896	3.1
219.01721	22.6
219.03537	3.9
220.99681	6.6
221.05092	8.9
223.01216	4.2
229.01933	6.6
230.98132	6.9
232.99661	8.8
237.02809	38.1
237.05019	3.4
239.00685	2.8
244.99623	6.5
247.02936	21.2
247.04581	1.8
247.06790	4.7
248.99191	3.5
251.00717	21.9
251.04462	3.3
255.03679	3.3
263.00714	11.2
265.01581	2.6
265.05820	42.1
269.01721	2.6
277.07709	2.7
281.01523	2.4
283.07007	13.3
289.03940	2.9
307.07556	100.0
307.15857	7.5
308.08295	4.7
308.14435	24.1
325.08008	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	307.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07910	2.7
69.03413	3.6
71.24685	2.7
71.78546	3.9
71.78904	3.5
81.57683	3.0
82.65865	2.7
85.02872	4.8
86.06051	3.4
87.04430	4.3
89.75285	2.7
96.12391	2.5
101.00863	3.9
114.09228	3.5
115.02345	3.0
119.01896	14.3
131.01825	3.5
143.01889	6.3
146.08072	4.5
146.09154	4.0
161.02893	9.0
173.02911	9.6
187.00816	3.3
214.53703	3.3
215.00418	5.3
221.05138	4.7
242.62639	2.9
247.03006	6.2
307.07825	100.0
308.14578	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	307.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.9
57.03416	1.4
58.47726	0.8
61.02925	4.6
69.03421	3.7
70.06596	1.3
71.58996	1.9
72.08131	2.3
73.02870	1.9
73.52967	1.0
77.00903	1.4
82.99836	1.9
84.08153	1.2
85.02882	4.9
86.06048	1.0
91.02452	1.0
97.01387	1.0
97.02879	2.1
98.97581	2.0
99.97967	0.8
101.00867	22.9
108.16302	0.8
113.00901	1.0
114.09178	1.4
115.02430	9.1
116.98642	1.3
117.03957	1.0
119.01908	100.0
120.02024	2.6
121.01612	0.9
127.03927	1.9
129.03981	2.7
130.06508	1.3
130.07637	0.8
131.01875	9.6
131.12950	1.1
133.03450	18.5
134.03592	0.9
135.05022	1.5
137.02950	23.5
139.03899	3.1
142.03508	2.1
143.01888	12.3
144.99820	3.6
145.03459	4.9
145.04950	1.1
146.09232	1.0
146.99615	1.2
147.01350	1.3
147.05019	4.5
149.02931	2.5
151.04526	3.2
155.01855	7.1
156.71404	0.9
157.03455	2.5
159.01355	2.8
161.02950	30.6
162.03160	1.0
168.99814	10.6
171.01424	1.3
173.02940	20.2
173.13934	1.5
174.03169	1.2
175.04581	1.4
177.02431	9.7
179.04004	1.3
185.02956	4.2
187.00864	27.7
187.02515	1.8
188.00880	1.2
189.02409	2.3
191.03943	6.1
193.01770	1.2
196.99309	5.4
200.76936	0.9
201.02493	2.1
203.04012	5.9
205.01961	15.4
205.03850	1.7
210.02516	1.1
211.02713	1.1
215.00351	31.9
217.02016	3.5
217.55341	0.9
219.03470	11.2
220.03508	1.5
221.05064	3.7
226.03352	1.2
229.01855	14.2
229.03838	0.9
230.02032	1.3
233.01445	3.2
235.03052	1.2
237.04642	1.1
238.02057	1.3
239.06122	2.4
245.05101	1.3
247.02980	61.6
248.03117	2.4
263.06458	1.1
265.04013	15.0
265.07050	1.6
270.04526	2.9
283.04956	1.0
286.07037	0.9
289.04037	11.0
294.74747	0.8
307.05038	13.3
307.08401	5.4
307.15948	4.9
308.14496	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	307.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28006	1.6
56.96553	4.3
57.03442	2.0
58.99860	2.1
59.52448	1.3
61.02912	5.2
69.03410	4.6
70.06560	1.9
70.93970	3.0
72.08143	3.1
73.02916	2.2
77.00887	2.3
81.03407	2.1
82.99837	1.9
84.08144	3.2
85.02902	9.9
97.02866	4.7
98.97574	2.8
101.00864	21.0
112.01077	1.4
113.02354	2.6
114.09160	3.6
114.10258	4.5
115.02397	9.5
116.98607	2.9
119.01902	100.0
120.02008	3.4
126.95770	1.5
127.03925	4.5
130.06508	3.7
130.76645	1.4
131.01872	12.6
133.03445	20.6
137.02930	23.4
139.03885	7.3
142.03453	2.0
143.01872	16.0
144.99797	3.1
145.03465	5.5
145.04832	2.1
147.05046	4.0
149.02946	1.9
155.01888	10.1
157.03459	5.2
157.07602	4.8
158.05989	5.0
159.01424	2.6
161.02930	44.5
162.02980	2.7
168.99847	8.0
173.02936	27.9
173.13945	4.5
174.03122	2.5
175.04694	2.2
175.08612	2.9
177.00928	3.0
177.02377	12.0
184.04555	2.2
185.02921	6.1
187.00853	22.6
189.02492	3.1
191.04025	6.9
196.99287	4.3
199.00854	2.3
201.02441	2.7
202.89099	3.0
203.03983	5.5
205.01935	17.7
210.02495	1.6
215.00354	32.7
217.01907	3.2
217.55165	3.4
219.03529	8.2
221.04877	7.3
223.03018	2.5
229.01849	11.5
233.01512	3.0
239.06094	2.6
246.66533	1.8
247.02957	58.5
248.03188	4.2
263.06122	3.7
265.04031	12.7
270.04544	3.1
289.03873	10.4
307.04938	13.3
307.08017	21.3
307.15720	7.8
308.14481	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	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
55.01853	0.1
55.05484	0.1
57.07059	0.1
58.02933	0.3
65.03911	0.1
66.04697	0.1
67.05476	0.4
69.07058	1.3
69.51945	0.5
69.52374	0.2
70.06577	0.1
70.13586	0.1
71.08584	0.1
77.03914	0.1
79.05492	0.6
81.07044	0.7
83.04972	0.1
83.08601	0.2
84.08131	0.2
91.05468	0.5
93.07005	0.4
94.04163	1.6
95.04922	0.1
95.08599	0.3
95.09119	0.1
97.06519	0.4
100.07619	0.3
105.07016	0.2
107.04927	0.2
107.08575	0.6
109.06493	0.2
109.10149	0.7
110.93943	0.1
111.11706	0.1
112.07563	0.1
114.09155	0.4
122.03626	5.7
126.09097	0.3
128.10733	0.1
133.10112	1.0
135.04353	0.1
135.11682	1.1
137.05954	100.0
138.06282	2.0
138.12794	0.1
147.11694	0.2
151.11143	0.5
153.12715	1.0
165.12718	0.1
170.15382	1.9
172.80704	0.1
182.15385	3.0
183.15755	0.1
306.20578	1.3
317.97882	0.1
321.75049	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	306.1695
Annotation	Convolamine
Peak:m/z	Relative Intensity
55.05499	0.4
57.03429	2.2
62.31732	0.3
67.05480	0.7
69.03419	0.6
69.07037	0.9
70.06575	0.3
71.01328	1.0
71.79562	0.3
72.08132	0.5
74.06038	0.6
79.05468	0.4
81.03394	1.6
81.07031	0.9
85.02892	38.6
86.03254	0.3
86.09608	0.4
91.05471	0.6
93.07022	0.7
95.01288	0.4
95.08583	1.0
97.06487	0.5
103.03918	0.6
105.06973	0.5
106.06542	0.4
107.08580	0.6
109.02832	0.9
109.10148	0.4
113.02376	1.8
116.07148	0.4
118.06524	14.3
119.08529	0.5
120.08093	1.0
121.10102	0.8
123.11643	0.4
127.03879	0.4
130.06479	0.5
131.03398	1.9
131.08505	0.5
132.08069	4.9
133.08838	2.2
133.10100	0.5
134.09616	1.2
135.04373	0.4
137.05940	1.3
139.03847	0.6
144.04456	0.8
145.02744	0.5
145.10057	0.5
146.05969	0.4
146.09630	4.4
147.10442	0.4
163.03870	2.1
164.06972	0.4
165.07384	0.4
166.08702	0.3
171.08055	0.4
174.05463	0.6
176.14320	84.2
177.05444	0.7
177.14680	2.6
202.04866	0.5
202.15878	0.7
216.13770	0.7
219.07977	0.4
220.05989	0.4
246.14975	0.6
248.09241	0.6
251.10655	0.5
262.10834	0.6
263.06982	0.4
264.08017	0.7
264.34100	0.3
288.15881	1.0
292.07312	0.6
306.16956	100.0
307.09341	1.9
307.17297	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	305.2469
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03928	2.7
55.01868	3.2
55.05503	14.7
55.99526	1.5
57.03406	2.7
57.07061	8.9
57.49329	1.8
59.04981	4.1
61.70597	1.5
65.03942	2.7
67.05494	26.0
69.03406	6.8
69.07059	24.1
70.06572	2.7
70.91144	4.0
70.91515	3.6
71.04982	31.2
73.06523	3.3
79.05478	24.5
81.03404	2.3
81.07040	100.0
83.04953	5.1
83.08596	9.8
85.06530	7.1
91.05472	16.6
93.07025	58.7
93.34290	1.7
95.04966	10.3
95.08593	51.6
96.08920	1.8
97.06512	6.5
97.10161	8.9
99.08060	5.4
105.07008	43.8
107.08572	66.9
109.02855	2.3
109.06469	8.9
109.10135	44.6
111.08067	4.6
113.09607	3.1
115.05444	3.8
117.06973	8.0
118.06525	26.2
119.08553	43.4
121.06505	2.7
121.10130	50.9
122.10455	2.1
123.04443	2.2
123.08047	6.6
123.11697	18.9
125.09604	16.5
127.11191	11.4
130.06490	2.4
130.07756	1.8
131.08542	11.1
133.10094	28.4
133.11002	2.9
135.08069	3.9
135.11670	27.7
137.05890	3.8
137.09604	8.5
137.13219	5.7
139.03912	1.7
139.11121	3.4
142.06508	4.7
142.07698	2.8
143.07257	4.7
143.08537	5.2
143.10626	13.8
144.04390	1.9
144.08040	15.3
145.10103	21.6
146.05983	62.4
147.08017	2.1
147.11656	34.3
149.13231	31.5
151.03896	3.1
151.11160	7.6
153.12718	5.8
157.10115	8.8
159.11667	27.5
161.13242	16.1
163.11092	5.2
163.14795	8.2
165.05469	2.0
165.12732	7.0
167.10658	2.9
169.10016	1.8
170.06001	6.3
171.11646	7.4
173.13261	13.3
174.13933	2.3
175.11111	2.0
175.14795	7.8
177.12776	3.4
177.16415	8.2
179.03398	2.0
185.13246	7.9
187.06244	2.4
187.14748	9.2
188.07042	80.3
189.16299	13.0
191.14371	3.6
191.17947	5.1
193.15797	2.5
195.17435	4.4
199.14815	6.4
200.20074	3.8
201.16353	33.6
202.16644	2.4
203.17963	8.1
205.15860	5.0
213.16420	6.7
215.17909	4.0
217.15916	2.9
217.19463	2.9
219.17421	10.8
221.48825	1.8
223.16849	9.9
224.51563	1.8
227.17915	3.1
229.19540	2.6
235.16879	1.9
243.21155	2.8
244.22658	7.5
269.22592	16.7
287.20358	2.8
287.23663	27.0
305.05368	3.4
305.17615	3.9
305.21622	2.6
305.24734	51.3
306.20483	8.3
306.26352	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	305.247
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03928	3.2
55.05499	22.4
57.03416	3.3
57.07067	12.6
58.37594	2.1
59.04987	11.3
65.03919	3.6
67.05499	22.4
69.03414	6.6
69.07061	26.5
71.04977	27.0
78.37190	1.8
79.05482	23.1
81.07046	71.5
83.04980	3.8
83.08600	11.9
85.02889	3.0
85.06541	10.5
91.05466	19.2
93.07029	65.4
95.04962	10.3
95.08589	42.0
97.06511	7.2
97.10165	11.6
97.10710	1.8
98.20702	4.5
99.08064	9.6
105.07024	39.6
107.08578	100.0
108.08889	2.7
109.02801	2.8
109.06483	7.2
109.10145	42.7
111.08073	6.9
111.11736	2.8
113.09656	2.5
117.06996	5.6
119.08562	60.5
121.10128	56.9
123.08051	3.0
123.11700	16.1
125.09610	27.3
127.11169	13.8
129.06999	4.3
130.07753	2.9
131.08559	18.5
131.80066	2.2
133.10118	30.3
135.08080	2.8
135.11688	18.5
137.05965	5.0
137.09604	8.0
137.13239	5.6
138.06308	2.4
139.11148	2.8
141.09102	4.7
143.08546	6.4
143.10664	33.9
145.10109	41.2
146.10550	2.8
147.11673	40.3
148.48900	2.0
149.09624	2.3
149.13239	80.1
150.13573	4.4
151.03893	4.5
151.11186	6.2
155.10616	2.3
157.10103	14.5
159.11697	28.7
161.13237	13.4
163.11034	2.9
163.14812	6.8
165.12689	3.9
169.12257	5.7
171.11713	10.3
173.13266	12.5
175.14796	5.8
177.12630	3.2
177.16345	6.5
185.13232	8.5
187.14809	7.8
189.16385	11.6
191.17937	2.9
193.15913	2.4
195.17427	5.4
199.14801	5.7
201.16342	36.2
202.16728	2.9
203.17862	12.4
205.15800	2.7
213.16336	6.7
215.17928	14.2
217.15979	2.9
217.19521	5.6
223.16837	4.0
229.19582	5.1
231.17401	3.0
241.19574	3.0
259.20520	2.0
259.24271	3.2
269.22629	13.3
287.20346	3.9
287.23627	40.9
288.24158	3.6
305.05353	3.9
305.21368	3.1
305.24722	58.6
306.20483	2.4
306.25146	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	305.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.1
52.03148	0.0
53.00288	0.0
53.03939	0.0
55.01863	0.1
55.05492	0.2
55.58823	0.0
57.03433	0.0
57.07059	0.2
58.02945	0.3
59.04987	0.0
65.03894	0.1
66.04694	0.1
67.05482	0.5
69.03412	0.1
69.07051	1.4
70.06582	0.0
71.04981	0.0
71.08620	0.1
71.79568	0.0
72.08143	0.1
77.03931	0.1
79.05479	0.6
81.07037	1.0
83.04961	0.1
83.08587	0.2
84.08123	0.1
86.06037	0.1
91.05460	0.5
93.06416	0.0
93.07018	0.6
94.04160	1.4
95.04945	0.1
95.08588	0.5
97.06516	0.4
98.09664	0.1
100.07607	0.3
105.03413	0.0
105.07014	0.4
107.04900	0.2
107.08573	0.8
109.06480	0.3
109.09371	0.0
109.10136	0.9
111.04364	0.0
111.08027	0.1
111.11683	0.1
112.07574	0.1
114.09146	0.6
115.07481	0.0
117.07019	0.0
119.08547	0.2
121.10138	0.2
122.03619	5.0
123.08022	0.0
123.11684	0.2
125.09620	0.0
125.13287	0.0
126.09115	0.4
128.10635	0.0
131.08502	0.0
133.10098	1.1
135.04352	0.1
135.11671	1.1
137.05942	100.0
138.12744	0.1
141.09068	0.1
143.08414	0.0
145.10114	0.1
147.11642	0.3
149.13188	0.1
151.03903	0.0
151.11154	0.5
152.06996	0.1
153.07472	0.0
153.12700	1.1
159.11673	0.1
161.13261	0.0
164.14276	0.0
165.05368	0.0
165.12646	0.1
167.10609	0.1
170.15363	2.3
171.11681	0.0
173.13237	0.0
175.14720	0.1
182.11856	0.1
182.15367	3.8
185.13164	0.0
189.16270	0.1
210.15190	0.0
217.19377	0.0
227.17776	0.0
269.22443	0.1
287.23526	0.1
305.24673	0.1
305.28323	0.0
306.20563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2471
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	2.8
55.01865	2.7
55.05503	23.5
57.03417	5.4
57.07071	10.1
59.04978	4.9
60.20298	1.8
65.03918	2.7
67.05492	25.5
69.03410	7.0
69.07061	37.2
69.61556	5.6
69.61984	13.5
71.04987	15.5
73.06544	2.6
74.06089	2.7
79.05489	22.7
81.03392	2.8
81.07050	70.9
81.07527	3.4
83.04971	5.6
83.08609	14.6
85.02888	6.2
85.06525	7.9
87.04488	2.8
91.05468	20.0
93.07034	58.0
95.04939	6.4
95.07993	3.7
95.08595	69.9
97.06522	10.5
97.10146	11.3
99.08080	8.0
101.05976	2.9
105.07024	42.8
107.08585	80.6
109.02858	2.5
109.06491	6.6
109.10150	42.5
111.08076	2.9
111.11686	7.2
115.07540	8.9
117.06981	6.4
118.06554	2.6
119.08573	52.4
120.08856	2.3
121.06482	4.0
121.10139	68.1
123.04524	2.1
123.08014	6.2
123.11684	21.8
125.09613	11.1
125.13159	2.5
127.03889	3.7
127.11178	5.3
128.06212	3.0
129.06999	4.5
131.08560	14.4
133.10117	33.5
135.10744	3.6
135.11688	38.6
137.06009	2.5
137.09595	7.2
137.13229	8.5
139.03853	2.8
139.11130	5.4
141.09131	2.4
143.08545	7.3
143.10641	14.6
144.04381	3.0
145.10100	19.7
147.11673	33.9
149.13251	41.3
151.03831	4.7
151.11163	3.3
153.12744	3.3
157.10138	10.8
159.11688	23.9
161.13246	23.2
163.11166	4.1
163.14839	20.9
165.12781	4.6
171.11629	9.5
173.09579	2.4
173.13242	14.3
174.05481	2.4
175.03941	2.0
175.14809	17.9
176.14372	7.4
177.12746	3.7
177.16415	10.3
181.12166	2.8
185.13240	6.7
187.14795	10.7
189.16364	13.0
191.17940	15.3
199.14792	7.9
201.16321	20.0
203.17917	7.4
213.16376	8.2
215.17902	6.1
217.16100	3.6
217.19516	32.6
227.17946	11.5
229.19467	8.4
243.57401	2.1
245.18932	3.1
245.22652	8.7
257.22610	6.2
259.24130	4.8
269.22659	22.0
271.54620	2.3
277.25168	2.6
287.16675	2.9
287.23682	43.0
305.05289	6.5
305.17709	4.2
305.21542	5.1
305.24713	100.0
306.16959	8.2
306.25177	6.3
313.56943	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2468
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03956	3.5
55.05502	26.2
57.07063	13.8
65.62222	3.5
67.05488	25.7
69.03407	6.5
69.07059	66.4
71.00779	8.9
71.04999	4.3
79.05484	32.4
79.78999	3.7
81.07044	100.0
83.04967	7.4
83.08605	19.2
85.06528	4.2
91.05463	24.6
93.07030	60.2
95.04942	6.7
95.08591	72.6
97.06509	7.1
97.10175	6.6
97.74778	3.6
105.07014	55.4
107.08577	84.3
108.09866	3.2
109.06508	13.5
109.10162	45.7
111.08064	7.5
111.11739	5.3
117.06990	11.9
119.08564	61.3
121.06426	3.4
121.10126	46.0
123.07993	5.0
123.11668	23.1
125.09616	25.4
129.07042	4.0
131.08556	32.0
133.10118	39.0
135.08093	5.0
135.11674	38.4
137.09567	4.8
137.13258	7.7
142.07704	5.2
143.08559	16.3
144.09282	5.7
145.10106	64.6
147.11690	36.8
147.64659	3.4
149.09572	6.5
149.13239	48.1
151.11171	19.1
154.03244	3.2
156.09323	7.2
157.10092	21.9
159.11690	49.3
161.13226	26.6
163.11157	25.2
163.14790	10.7
167.10716	4.7
170.10886	5.1
171.11673	11.9
173.13246	28.4
175.14836	30.0
177.12738	39.5
179.14322	8.0
181.12123	4.0
184.24568	3.0
185.13245	14.1
186.07597	3.6
187.14775	20.6
189.12740	4.4
189.16331	21.0
191.14314	6.3
193.15868	5.1
195.13808	9.6
199.14821	14.8
201.16429	9.2
203.14128	3.6
203.18010	7.8
205.15845	24.9
206.16609	5.4
213.16319	18.9
215.17781	3.5
217.15897	5.1
219.17393	5.0
223.17024	3.8
227.17920	10.6
229.19456	11.6
231.17439	9.6
231.61815	3.3
241.19521	5.0
257.22653	8.9
259.24173	7.0
269.22665	33.1
275.23856	5.0
287.16574	3.7
287.23669	62.9
288.23941	5.5
305.21643	5.7
305.24811	70.7
315.92572	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	305.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05499	22.2
57.07071	5.9
67.05496	71.9
69.03401	5.3
69.07063	29.4
70.68002	4.6
71.04983	19.4
79.05479	23.1
81.07047	94.8
83.04974	5.4
83.08591	18.4
84.08146	2.2
85.02905	3.9
85.06525	9.8
89.35680	2.0
91.05461	17.7
93.07029	42.5
95.04948	7.7
95.08595	100.0
96.08899	2.3
97.02859	3.3
97.06507	7.5
97.10152	17.9
99.08086	3.5
103.05426	2.3
105.07024	20.1
107.08575	33.3
109.02841	2.9
109.06478	3.6
109.10149	54.2
110.10441	2.1
111.08086	8.0
111.11700	5.0
117.07007	6.7
118.06545	2.5
119.08553	17.8
121.06449	5.2
121.10130	40.5
123.04424	2.4
123.08069	6.5
123.11709	20.7
125.09595	5.5
127.03894	3.6
129.06935	2.4
131.08583	12.6
133.10135	23.4
135.08046	4.4
135.11665	27.5
136.07538	4.5
137.09612	11.4
137.13243	7.4
139.03938	4.2
139.07549	2.5
143.10628	5.1
145.06482	3.1
145.10115	10.8
147.11728	10.3
149.02411	2.4
149.09621	4.0
149.13292	12.1
151.03883	5.6
151.10019	2.5
151.11169	10.0
153.09128	3.9
155.03404	2.3
157.10088	3.3
159.11685	7.6
161.13216	4.1
163.11145	3.5
163.14819	2.5
164.07066	17.3
165.12701	2.4
167.10701	4.0
171.11742	3.4
173.13257	8.1
174.05482	2.9
177.12648	3.3
180.25896	2.2
187.14824	2.7
189.16377	5.8
191.17920	26.7
195.13799	4.4
209.18999	16.8
210.19258	2.3
215.17926	28.5
225.22069	5.0
227.19998	6.2
231.06705	2.4
233.18950	16.0
238.58859	2.2
251.20013	25.7
262.06396	2.8
269.12772	5.4
269.20920	16.4
287.05530	3.0
287.13791	10.2
287.22302	8.5
305.05344	6.9
305.08072	7.9
305.14908	6.2
305.24777	7.5
306.20621	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	305.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01863	0.6
55.05485	0.5
59.40053	0.3
65.03931	0.5
67.05487	1.6
69.03405	0.4
69.07059	1.4
69.67490	0.8
69.67903	2.0
70.06593	0.4
72.08151	0.4
77.03930	0.8
79.05476	0.9
79.55160	0.3
80.04990	0.3
81.03376	0.4
81.07050	2.8
83.08617	0.4
84.04498	1.8
84.08112	0.5
85.02902	2.7
85.06483	0.4
86.09705	0.5
91.05468	3.8
92.72845	0.3
93.05756	0.5
93.07030	2.8
94.06551	0.7
95.01292	0.5
95.04980	1.9
95.08590	1.3
96.08121	0.9
97.06514	0.5
98.20720	0.6
102.05539	1.5
105.07024	0.9
107.08571	1.2
108.08115	1.8
109.06516	0.3
109.10155	1.1
111.08057	1.1
112.04031	0.3
118.06534	1.6
119.08578	1.0
121.10146	0.9
122.06031	2.0
123.11694	0.8
124.07573	10.5
126.05462	1.7
130.04987	10.0
130.06445	0.4
130.71700	0.3
131.08574	0.3
132.08035	0.4
133.08865	0.4
133.10118	0.9
135.11667	0.5
136.07559	100.0
137.05942	0.4
137.07928	1.4
138.09076	0.5
140.07033	1.1
144.04449	0.6
145.10114	0.7
146.09625	0.8
147.11688	0.6
148.11159	0.7
149.13214	0.4
150.05489	0.6
151.03918	0.4
151.11159	0.6
152.07048	18.5
153.01767	0.5
159.11650	0.4
161.13248	0.5
164.07047	77.2
165.07375	1.1
169.12308	0.3
170.08107	7.2
171.11559	0.3
173.11678	0.4
174.05489	1.6
176.14328	22.0
182.08116	18.0
201.06718	0.4
202.05016	1.0
207.05614	0.4
229.19505	0.4
269.22540	0.4
287.10587	0.4
287.13855	5.4
288.16052	0.7
305.05295	3.5
305.14856	3.8
305.18497	9.7
305.24643	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	305.2105
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.03932	6.6
55.01835	6.1
55.05507	35.9
57.03423	4.4
57.07045	16.5
57.13077	4.5
59.04990	6.0
65.03918	6.0
67.05490	35.9
68.63983	4.6
69.03407	14.4
69.07061	34.2
70.06564	4.6
71.04975	10.4
71.79575	7.3
79.05474	28.9
81.03386	5.9
81.07044	72.3
83.04968	30.2
83.08591	13.2
85.02885	4.7
85.06526	8.3
88.03941	5.7
91.05469	51.8
93.07029	100.0
95.04961	32.8
95.08591	95.8
97.06514	15.4
105.07011	67.2
107.04973	5.4
107.08581	63.7
109.06514	21.8
109.10141	47.6
111.08034	11.2
113.09732	5.2
117.06989	17.6
119.08570	78.1
121.06482	12.8
121.10126	89.2
123.04429	6.8
123.08054	17.6
123.11672	26.6
125.09582	15.4
127.03894	8.2
128.06171	10.3
129.06979	16.0
131.08549	62.1
133.10129	55.5
133.64751	4.7
135.08084	22.2
135.11681	24.5
137.05968	18.0
137.09586	15.1
137.13245	9.1
139.07474	6.8
141.07010	10.0
142.07726	9.5
143.08546	37.2
143.10674	15.0
144.09290	6.6
145.06450	5.0
145.10098	67.3
147.07991	10.1
147.11674	37.3
149.09608	43.6
149.13245	15.4
151.03839	11.7
151.07465	9.8
151.11145	5.8
153.09036	6.4
155.08549	11.7
156.09302	12.5
157.10091	61.2
158.10858	11.1
159.08051	6.5
159.11670	74.2
161.09601	17.2
161.13213	16.5
163.11118	6.8
165.05524	5.6
165.09070	20.0
167.10643	10.8
169.10100	14.7
170.10860	6.4
171.11659	40.8
173.09557	6.5
173.13231	65.4
174.14001	9.5
175.11174	12.8
175.14799	14.7
177.05414	6.5
177.12714	12.9
179.08682	4.7
183.11656	16.4
185.13214	35.2
187.11201	10.0
187.14790	17.7
189.09195	5.1
189.12700	10.4
191.14227	8.4
195.11652	9.1
197.13248	11.8
199.14775	27.7
201.12802	8.8
201.16277	10.2
205.12108	6.6
209.13278	10.2
211.14801	20.4
213.12727	15.2
213.16269	33.7
214.16559	5.5
215.17886	20.9
221.13182	4.7
225.16446	11.2
225.66658	4.6
227.14157	5.6
227.17831	9.8
229.15938	5.7
231.13838	11.4
241.15883	5.1
241.19492	19.0
243.17216	10.3
243.25066	5.4
251.17924	9.6
269.18933	21.7
269.22607	13.9
287.16931	7.2
287.19974	43.2
287.23468	12.7
305.05658	8.7
305.09964	8.3
305.17728	8.4
305.21133	68.1
305.24677	46.8
305.28735	17.6
306.20688	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	305.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36027	0.8
56.96557	83.1
57.03414	1.0
61.02914	1.3
63.70877	0.8
70.42202	2.4
70.42596	1.9
70.98112	19.3
71.95262	4.6
72.08126	1.5
72.96021	2.6
73.02887	1.1
74.97578	2.8
81.04520	3.0
84.08109	1.3
84.96040	5.1
84.96471	0.8
85.02870	3.9
86.09664	1.0
88.99152	9.7
95.06066	2.8
97.02859	2.2
98.97567	100.0
102.90810	0.9
107.00152	2.4
110.97575	5.2
112.99131	2.7
114.09167	1.4
115.00658	1.7
116.98606	71.0
118.10460	0.8
119.01891	3.2
124.95475	9.2
124.99068	2.2
125.07088	4.1
128.98601	10.0
130.08621	1.1
131.00157	5.2
131.01889	1.1
133.01701	3.1
134.99638	36.1
138.97005	1.1
140.00153	2.0
140.98531	3.2
142.96497	16.6
143.00134	14.2
143.01900	1.3
143.07083	1.1
143.08141	15.6
144.98068	2.1
145.01674	2.4
146.99628	12.4
149.01163	3.6
153.00644	5.7
156.98074	4.2
157.03406	1.0
158.01265	1.6
158.99632	8.5
160.97577	9.4
161.01208	12.6
161.02798	1.8
162.99146	2.1
163.02841	1.7
165.00708	6.7
170.95950	6.7
172.97577	8.1
173.01170	2.4
173.02905	1.9
173.06609	0.9
174.99117	10.4
177.00694	11.1
178.98558	1.5
179.02213	3.0
184.97581	6.8
186.99142	3.9
188.97044	30.6
189.00667	8.0
190.98616	14.9
191.02206	2.5
193.00168	13.0
194.56847	0.9
195.01688	2.3
197.06618	1.2
201.00653	4.8
202.98625	20.5
203.07620	3.2
205.00154	7.3
206.98102	19.6
207.01703	7.9
208.05002	0.8
208.99681	2.9
211.01245	1.1
212.97006	2.8
214.19652	1.0
214.98596	5.3
215.07639	2.1
217.00206	5.9
219.01711	3.5
220.99673	26.5
221.04990	1.9
223.01181	4.2
224.99190	1.2
230.98087	27.3
232.99644	12.7
235.01257	8.4
237.02727	2.1
238.98163	0.7
239.00771	3.6
240.69246	1.0
244.01442	1.2
244.99664	8.0
245.05080	1.9
248.99138	16.2
251.00813	1.3
262.97855	1.8
263.00705	28.9
267.00174	2.1
275.00671	1.5
275.09634	1.5
281.01746	15.5
286.02441	1.0
291.00159	1.1
299.02747	1.4
304.03622	1.1
305.01855	2.2
305.05661	3.4
305.10562	8.4
323.06415	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	88.7
57.03428	1.1
61.02917	1.3
69.03411	2.7
70.06576	1.1
70.32585	3.5
70.32915	0.7
70.98111	19.9
71.95253	5.2
72.96038	2.4
73.02900	1.2
74.97599	3.2
81.03411	0.7
81.04528	4.9
84.08139	2.0
84.96024	7.3
85.02914	3.8
86.09705	1.4
87.04440	0.7
88.99139	9.6
95.06084	2.6
97.02856	1.8
97.74516	0.8
98.20816	0.7
98.97569	100.0
99.97933	1.2
106.81036	0.6
107.00179	2.1
110.97562	5.6
112.99109	3.7
113.03481	1.2
114.09157	1.1
115.00681	1.8
116.98605	85.8
117.98920	1.4
119.01908	3.9
124.95473	10.5
124.99097	3.9
125.07108	5.3
127.03885	0.9
128.98592	10.8
130.08617	1.6
131.00128	5.0
131.01865	2.6
131.05482	1.5
133.01691	3.0
133.03416	1.7
134.99640	41.8
140.00174	1.3
140.98570	2.9
141.01219	0.8
142.09740	0.8
142.96512	18.1
143.00146	14.2
143.01851	0.7
143.07066	1.3
143.08141	21.9
144.98067	2.4
144.99837	0.7
145.01688	3.0
145.03456	1.8
146.99622	12.7
149.01187	3.2
149.06555	2.1
152.94978	1.4
153.00684	5.9
154.96507	0.9
155.01862	1.0
156.98032	3.6
157.03372	1.0
158.01210	1.9
158.99648	10.2
159.03081	0.7
159.05104	0.8
160.97560	10.7
161.01212	18.7
161.02844	2.2
161.06552	1.6
162.99133	2.6
163.02739	1.1
165.00690	7.9
170.96002	9.0
170.99556	1.4
172.55356	0.7
172.97554	8.9
173.01169	2.6
173.02896	2.9
173.06586	1.3
174.99135	12.7
175.04416	1.2
177.00694	14.2
178.98555	1.8
179.02180	2.4
181.00133	0.8
183.01755	1.1
184.97546	7.7
185.01178	0.7
185.02869	1.3
186.99117	3.6
187.08118	0.9
188.97052	39.1
189.00676	10.6
189.02365	0.8
190.98619	18.2
191.02254	4.2
193.00179	13.8
195.01822	3.6
201.00697	4.2
202.98616	23.8
203.02219	1.0
203.03961	2.1
203.07568	2.0
205.00169	7.9
206.96231	1.3
206.98111	24.7
207.01677	8.7
207.05090	0.7
208.04903	1.1
208.99701	3.2
209.03076	0.8
209.04883	0.8
211.01111	1.8
212.97038	3.7
214.98566	6.6
215.07613	3.8
217.00191	6.4
217.09047	1.2
219.01729	5.6
220.99670	28.8
221.05067	1.8
223.01248	4.3
224.99069	2.4
230.98094	30.0
231.00395	1.4
231.98505	1.5
232.99638	12.0
235.01242	9.3
237.02715	2.2
239.00725	5.0
244.99677	9.9
245.04933	2.0
247.01242	1.2
248.99179	18.7
251.00656	2.4
251.04274	0.9
263.00717	31.3
267.00049	2.7
272.98929	0.8
275.00513	1.7
281.01746	16.9
286.02078	1.4
291.00073	1.6
293.01663	1.7
299.02731	1.8
305.01645	1.5
305.05573	3.2
305.10556	10.8
305.18069	0.7
323.02991	1.4
323.06360	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	304.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09548	0.3
55.05483	0.3
56.96560	3.4
57.03412	0.3
59.43607	0.2
61.02907	0.4
67.05495	0.7
68.05021	0.3
69.03416	1.3
69.07075	0.3
69.75636	2.0
70.06577	0.9
70.98106	0.5
71.04977	0.5
72.08149	1.6
72.13448	0.2
73.02903	0.6
79.05489	0.5
80.05020	0.3
81.03410	0.7
81.04521	1.0
81.05779	1.0
81.71267	0.2
82.06584	0.3
83.04962	1.2
83.06088	0.4
84.04522	0.3
84.08136	0.7
85.02898	3.2
85.06524	2.3
86.09706	0.7
87.04438	0.3
91.05476	0.3
93.91267	0.2
94.06561	0.4
94.74541	0.3
95.06090	0.3
96.08118	3.1
97.02876	1.8
98.97569	4.9
99.04420	0.3
99.18903	0.2
100.04002	0.5
103.45094	0.2
107.04964	0.3
109.02847	0.3
110.06026	0.3
110.07149	0.6
110.97573	0.4
114.09151	100.0
115.09461	1.7
116.98610	3.3
119.01852	0.3
119.04887	0.5
124.07712	0.4
124.08701	2.2
125.07107	0.3
127.03897	1.2
128.98593	0.7
130.08630	0.4
131.00182	0.3
134.99588	1.3
137.05977	1.4
137.06924	0.3
140.03412	0.9
140.07066	0.7
141.01152	1.1
141.02174	0.3
141.03700	0.4
142.03926	0.5
142.08627	0.7
142.09718	3.5
143.00189	0.4
143.11708	0.3
145.04904	0.5
146.99635	1.2
147.04340	0.7
149.01112	0.3
152.07126	0.3
155.04680	0.4
156.10152	0.5
156.98329	0.3
158.99623	1.3
161.01228	0.5
161.03029	0.3
162.99126	0.4
165.00687	0.5
166.09743	0.4
167.07095	0.3
174.11237	42.8
174.99077	0.4
175.11623	1.0
177.00726	1.8
179.06897	0.5
184.10875	0.3
185.09232	1.1
186.04251	0.3
187.10794	0.3
188.97142	0.5
189.00734	0.4
190.98503	0.3
193.00209	0.5
202.98714	0.4
205.00238	0.8
207.05167	0.4
208.04892	0.5
214.98468	0.4
217.05452	0.4
219.01741	0.6
220.99681	0.7
223.01259	0.6
223.05576	0.3
227.06776	0.7
232.99652	0.4
237.02774	0.8
243.01692	0.3
244.99701	0.3
263.00937	0.5
281.01645	0.6
281.05469	0.3
286.13879	0.6
304.17526	56.2
305.11557	0.4
305.17865	3.2
309.08502	1.4
324.74323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04411	1.0
53.03932	1.0
55.01859	1.9
56.71508	0.8
57.03424	3.4
58.02939	0.9
58.06585	2.2
60.04520	6.0
61.02917	3.8
66.11777	1.0
69.03423	14.2
69.07062	35.5
70.19817	3.8
71.04978	1.8
71.08625	20.0
72.08136	1.2
73.02901	2.0
80.14083	0.9
81.03416	7.0
84.04478	3.8
85.02896	59.0
86.02418	4.7
86.06049	1.1
91.03954	1.1
96.08126	3.8
97.02884	38.0
97.06522	5.1
98.20811	1.3
99.04440	2.3
103.03931	6.0
107.04952	1.0
109.02863	10.7
110.02341	1.1
114.09160	18.5
123.04388	3.2
124.07603	2.5
127.03912	15.7
135.04417	1.0
135.19673	0.9
137.05984	7.0
138.06317	5.7
138.09109	3.1
142.08621	100.0
145.04956	7.8
149.02339	3.9
153.01810	3.1
156.10121	1.3
158.06038	1.2
163.06070	1.2
166.08598	2.1
167.07001	1.1
180.10161	1.5
182.08142	1.2
184.09676	69.7
185.10085	1.3
202.14267	1.0
208.09668	16.9
220.09651	2.5
227.09238	1.3
231.06500	3.9
238.10730	2.6
250.10709	11.2
255.08592	2.1
259.05902	5.3
284.94864	1.0
286.12973	1.4
287.05432	2.6
304.05194	1.1
304.14154	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80507	0.3
53.03936	0.7
54.02783	0.3
55.01860	0.8
55.05497	0.8
56.05013	0.8
56.96546	1.9
57.03423	1.2
58.06588	0.4
61.02916	0.9
65.03955	0.5
67.05507	1.8
68.05012	0.8
69.03410	2.4
69.07059	1.0
70.06568	2.3
70.32655	1.8
72.08150	0.5
73.02920	0.7
74.06055	0.6
79.05481	4.7
80.04989	0.7
81.03409	1.4
81.04519	0.8
81.05782	3.1
81.07044	4.2
82.02932	0.6
82.06570	1.6
83.04964	1.2
84.08120	0.7
85.02897	6.5
85.06534	3.4
86.06062	1.0
86.09700	6.2
87.03959	0.4
87.04468	1.5
91.05447	0.7
94.06562	2.0
95.04942	0.8
95.06071	0.7
96.04473	1.4
96.08119	9.8
96.08710	0.7
97.02872	2.1
97.06513	0.4
98.06049	1.5
98.97556	2.1
100.04004	0.4
102.05457	0.4
106.06556	0.4
107.04977	0.5
109.02859	1.2
109.05241	0.5
110.06001	0.5
112.07599	0.8
114.09152	85.9
115.09474	1.1
116.07066	0.4
116.98612	1.3
122.06033	0.6
122.25964	0.4
123.04425	0.8
124.07576	100.0
124.79196	0.3
125.07928	1.4
127.03899	2.2
128.07071	0.8
128.98586	0.6
134.99646	0.9
137.05954	0.9
139.03888	1.5
140.03362	0.4
140.07057	2.9
141.07339	0.6
141.10170	0.5
142.07562	0.6
142.08638	17.9
142.09743	3.5
143.11769	1.8
145.04945	0.8
146.99612	0.7
151.03893	1.3
155.03395	0.8
157.13326	1.3
158.99658	0.4
165.05333	0.4
170.08218	0.5
171.11243	0.7
173.01271	0.4
174.11240	23.5
175.03967	0.6
177.00679	0.4
182.86626	0.4
185.09241	1.5
185.12816	0.9
198.14896	0.4
201.12274	0.6
219.01775	0.8
224.06276	0.4
237.02763	0.7
242.17574	0.8
258.17010	0.7
259.05905	0.5
286.13858	1.0
286.17300	0.4
287.05496	0.6
304.14777	2.0
304.17535	50.0
305.12021	1.1
305.17899	0.8
306.27551	0.4
307.12131	0.4
323.10022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01855	1.2
55.05486	1.1
56.16689	0.9
57.03429	3.7
58.02945	0.9
58.06573	1.2
60.04269	0.7
60.04521	8.6
61.02900	2.7
69.03421	11.4
69.07060	33.2
69.63037	7.4
70.06564	1.7
71.04967	0.9
71.08624	20.2
72.69876	0.7
73.02901	1.7
76.05226	0.8
81.03398	7.7
83.08595	1.0
84.04483	3.2
85.02894	58.1
86.02406	5.4
86.09665	0.9
87.04463	0.8
91.03938	1.4
91.05451	1.0
96.08116	3.3
97.02879	37.4
97.06521	5.1
98.21442	1.5
99.04430	2.5
103.03934	5.1
109.02862	10.2
110.02374	1.0
114.08347	1.1
114.09146	20.5
121.32759	0.8
123.87782	1.0
124.07579	1.7
127.03898	15.8
127.91924	0.8
129.63692	0.7
130.06535	1.0
137.05974	5.9
138.06328	4.6
138.09108	3.0
139.03912	1.0
142.08617	100.0
143.08961	1.4
145.04927	7.8
146.28275	1.0
149.02292	3.3
152.10759	0.9
153.01813	1.0
156.10170	3.9
167.06989	0.9
180.10185	1.7
184.09674	71.1
185.10098	1.2
208.09662	16.0
220.09657	2.6
227.09169	1.0
231.06464	2.2
238.10713	2.6
250.10706	9.3
255.08549	1.8
259.06003	3.7
286.12869	1.5
287.05469	2.3
304.05292	1.8
304.13663	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20396	0.3
53.03920	0.6
53.22240	0.4
55.01850	0.7
55.05492	1.5
56.05012	0.5
57.03431	0.8
60.06146	0.4
65.03925	3.1
67.05495	2.2
67.05787	0.4
68.59003	0.4
68.99768	1.4
69.03422	1.0
69.07057	2.5
71.04974	0.8
71.79285	0.5
79.05485	2.4
81.03409	0.8
81.07034	5.1
83.04949	1.1
83.08600	0.5
85.01128	1.0
85.06537	0.4
86.00625	0.5
86.09684	0.8
91.05451	2.7
92.04987	3.0
92.96712	0.4
93.07028	4.6
94.04182	0.9
94.06551	0.8
95.04959	2.4
95.08591	3.5
97.06506	1.3
98.09622	0.4
99.04429	0.5
103.05423	0.7
105.06998	3.4
107.08574	2.7
109.02824	1.0
109.06494	1.1
109.08860	0.4
109.10123	1.8
111.00794	1.3
111.04420	0.4
111.08059	0.8
113.04203	0.9
117.03370	0.4
117.06993	0.6
119.04903	0.6
119.08562	3.8
120.04501	0.5
120.08087	5.1
121.02852	1.9
121.06486	1.4
121.10126	2.3
122.03588	2.0
122.09670	0.8
123.04383	0.8
123.08055	0.7
123.11667	1.3
124.11096	0.4
127.03924	0.4
131.04878	0.6
131.08540	1.1
132.08086	0.5
133.10114	2.3
134.05940	0.5
135.04433	0.8
135.08026	1.3
135.11641	1.2
137.02322	5.1
137.05951	26.3
138.05472	20.1
138.09105	9.5
139.05769	0.8
139.07571	0.6
140.07117	0.4
144.08047	0.5
145.02821	1.0
145.06462	0.9
145.10092	1.8
147.04385	0.5
147.07994	0.4
147.11685	2.5
148.03893	0.5
149.05942	0.9
149.09564	0.5
149.13208	0.6
150.09111	1.4
151.07582	0.6
153.01785	5.9
153.06935	0.9
155.04898	0.5
155.08586	0.5
156.08380	1.9
157.08727	0.6
157.10124	0.9
159.11682	1.1
161.05957	0.7
161.13237	1.1
163.03844	0.7
163.05037	0.8
164.07047	0.6
165.01833	2.7
165.07010	1.0
165.12730	0.7
166.04968	37.0
167.05293	0.6
168.05504	0.5
168.07980	0.5
169.08829	0.6
169.10085	0.5
170.09656	0.5
171.11687	1.0
173.05942	0.6
173.13298	1.0
174.07642	0.5
175.11159	1.6
175.14854	0.4
177.05466	1.6
183.02882	1.0
183.04407	0.5
183.08017	0.6
184.11137	1.2
185.13229	0.5
186.12915	0.6
187.03902	0.5
187.14769	0.6
189.12825	0.8
193.12357	0.8
194.09570	0.5
196.09933	1.2
198.09146	0.9
199.14781	0.7
200.09279	0.5
201.05414	2.5
201.10231	0.7
202.12198	0.7
211.07320	0.5
211.12227	0.9
212.10645	3.0
213.13882	0.5
213.16245	0.4
214.12383	3.1
217.12131	0.9
227.18013	0.5
228.08945	0.8
229.04916	6.4
229.09596	0.9
229.13260	2.3
230.11754	2.1
232.13246	3.0
235.13251	1.2
239.11754	1.5
240.10182	1.6
241.13240	0.7
242.11856	2.4
243.11243	1.4
244.09688	0.5
247.05971	1.0
253.08447	0.6
256.08429	1.5
257.04468	2.9
257.09201	1.7
257.12845	10.1
260.08578	0.5
260.12735	3.4
267.11179	1.4
268.09546	0.7
271.09576	0.8
272.11539	12.7
274.04825	0.7
274.09421	8.0
275.10150	1.8
275.13873	5.4
285.03815	1.3
285.12283	15.3
285.18634	0.9
285.22153	1.0
286.10593	1.1
303.04965	63.9
303.13333	100.0
303.22897	4.3
304.05362	5.2
304.13782	5.7
304.19186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39124	0.4
67.05470	0.6
68.99796	0.6
69.03394	0.4
69.07049	0.5
70.02597	2.4
70.06570	0.8
79.05483	0.7
81.03404	0.5
81.07081	0.5
82.69539	0.5
86.09699	0.8
87.10028	0.5
91.05457	1.3
93.03480	0.4
94.04159	2.6
95.04957	0.5
95.08616	0.5
97.02896	0.5
98.21413	0.8
104.19061	0.4
107.04931	0.4
109.02921	0.4
111.00791	0.7
112.34727	0.4
115.05426	0.8
116.05835	0.5
116.98647	0.4
119.04942	0.5
122.03636	7.2
123.04427	5.1
124.04731	3.2
127.03978	0.5
131.04965	0.5
137.02399	2.4
137.05954	100.0
138.06284	3.3
143.04922	1.0
144.05255	1.7
147.04366	0.8
151.03853	1.1
151.07474	0.9
153.01843	1.8
153.06947	0.9
161.05925	0.8
163.07468	0.5
164.06581	0.7
165.01822	1.2
175.07538	1.1
176.07921	1.6
178.08585	3.7
179.07275	0.7
179.08949	5.8
180.08881	0.4
181.06464	1.2
183.08064	0.9
201.05386	0.9
211.07495	0.5
225.08961	0.8
226.09389	0.8
229.04829	2.5
234.99001	0.4
236.07913	0.7
241.08755	0.5
243.10129	0.5
253.08737	0.6
254.08987	0.7
257.04376	1.3
271.09421	0.9
273.11243	0.6
282.44952	0.4
286.11475	2.5
303.04971	24.7
303.08221	0.9
303.14243	7.7
304.05173	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	303.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04492	0.7
61.02908	0.4
61.22916	0.4
69.03410	1.4
69.07052	2.7
70.06596	1.4
70.07089	1.3
71.08611	1.6
73.02882	0.4
79.01451	0.4
79.05470	0.8
81.03387	0.6
81.07022	0.4
85.02896	4.6
86.02409	0.3
86.09715	0.5
91.05465	0.8
94.04157	1.8
95.04958	0.6
96.70722	0.4
96.87359	0.3
97.02889	2.2
97.06521	1.5
107.04894	0.5
109.02844	0.9
111.56987	0.4
114.09145	1.2
118.39265	0.3
119.04948	0.4
121.06487	0.4
122.03629	6.7
123.04433	2.1
123.08092	0.5
124.04749	0.4
127.03906	0.6
137.05954	100.0
138.06262	2.5
138.09142	0.4
142.07512	0.5
142.08620	7.2
144.10205	0.6
145.04912	0.6
147.04366	1.0
149.05960	0.9
151.07512	0.8
153.01862	0.9
153.05461	0.4
153.06972	0.8
165.01816	0.5
167.07031	0.9
176.07863	0.6
178.08601	0.6
179.07037	0.8
179.08865	1.3
181.06458	1.0
183.08006	0.7
184.09660	4.6
195.07893	0.4
208.09650	0.6
213.09076	0.4
229.04898	0.8
239.06989	0.4
241.08577	0.6
250.10617	0.5
253.08624	0.7
271.09598	0.5
273.11090	0.6
285.12000	0.5
286.11438	0.6
303.04962	10.1
303.13947	1.8
303.19531	0.4
304.05246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.71616	0.1
55.01855	0.3
56.29136	0.1
65.03902	0.4
67.01842	0.3
67.05473	0.2
68.99782	1.9
69.03459	0.1
70.84887	0.2
70.85240	0.5
81.03413	0.4
93.03384	0.5
95.04956	0.5
98.10479	0.1
105.03346	0.1
109.02856	1.1
110.03647	0.1
111.00775	1.7
117.07015	0.4
121.02851	1.7
123.04401	0.6
127.03892	0.4
131.04895	0.3
135.04350	0.4
137.02322	6.9
137.03352	0.3
137.05930	0.3
145.06439	0.7
147.04417	0.1
149.02313	0.6
151.03773	0.2
153.01796	8.8
154.02148	0.1
155.04871	0.8
157.06494	0.3
161.05963	0.5
163.03888	1.2
165.01810	3.4
166.02551	0.5
173.05969	1.4
177.01854	0.2
177.05492	0.2
179.03375	0.3
183.02864	1.9
183.04410	0.6
187.03905	0.7
191.03378	0.4
191.07059	0.2
195.02873	0.4
201.05443	3.6
202.05670	0.2
205.04912	0.3
206.52151	0.2
207.02827	0.2
211.03886	0.4
213.05450	0.4
219.02917	0.2
219.06439	0.4
228.04202	0.4
229.04918	8.7
230.05309	0.5
239.03398	0.4
245.04486	0.2
247.05977	1.3
257.04410	4.9
258.04871	0.4
274.04694	1.6
275.05386	0.5
285.03903	2.1
286.04568	0.2
288.67780	0.2
303.04941	100.0
304.05286	6.4
319.43796	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	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88227	0.1
53.03921	0.1
53.40210	0.1
55.01858	0.2
65.03924	0.5
67.01842	0.3
67.05486	0.2
68.99400	0.1
68.99774	1.8
69.03430	0.2
69.80678	0.6
81.03410	0.7
91.05453	0.2
93.03391	0.7
95.04949	0.7
98.21407	0.2
103.05408	0.1
105.03365	0.2
107.01306	0.1
107.04946	0.2
109.02863	1.0
110.03625	0.1
111.00785	1.9
111.04454	0.2
115.05420	0.2
117.06998	0.3
119.04838	0.1
121.02044	0.1
121.02855	1.9
123.04426	0.5
127.03886	0.5
131.04900	0.2
133.02789	0.1
133.06442	0.1
135.04388	0.4
137.02325	6.8
137.03387	0.3
137.06023	0.1
138.02647	0.2
143.04872	0.1
145.02829	0.2
145.06461	0.5
148.76546	0.1
149.02322	0.8
153.01805	9.5
154.02173	0.2
155.04855	0.8
155.05994	0.1
157.06497	0.2
159.04404	0.3
161.05968	0.6
163.03899	1.1
165.01816	4.0
166.02545	0.5
173.02333	0.1
173.05945	1.2
177.01778	0.2
177.05463	0.3
179.03333	0.4
183.02849	1.6
183.04395	0.9
187.03911	0.9
191.03358	0.4
191.06956	0.2
195.02904	0.4
200.04578	0.1
201.05441	4.1
202.05750	0.2
205.04854	0.4
207.02873	0.2
211.03859	0.3
213.05490	0.2
215.03362	0.2
217.04941	0.1
219.02927	0.3
219.06499	0.5
222.37485	0.1
228.04195	0.7
229.04926	8.9
230.05302	0.4
232.03557	0.1
233.04451	0.1
239.03615	0.4
245.04417	0.2
246.05273	0.1
247.06001	1.2
247.08337	0.1
257.04413	4.4
258.04904	0.3
274.04733	1.4
275.05371	0.3
285.03903	2.3
285.06290	0.1
286.04367	0.1
303.04941	100.0
304.05280	3.4
304.08878	0.1
315.84479	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	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73119	0.2
56.96542	0.9
69.07031	0.3
70.21255	0.5
70.21676	0.7
72.03097	0.2
73.22484	0.2
98.96965	0.3
98.97565	4.4
99.97900	0.3
100.98011	0.3
101.00879	0.5
102.96852	0.7
116.98608	4.5
117.98899	0.3
119.01909	4.9
120.01931	0.4
120.63373	0.2
120.97862	0.5
121.71379	0.2
134.99638	3.1
135.99976	0.3
137.02956	2.0
138.98901	0.6
152.02722	0.2
153.00830	0.6
158.99800	0.4
177.00928	11.3
178.01057	1.5
179.00716	0.3
182.99892	0.5
189.00740	0.2
193.04008	0.3
199.04446	0.3
200.02592	0.4
201.00839	0.7
217.04039	1.7
218.04213	0.3
219.01967	19.1
219.53926	0.2
220.02115	3.4
221.01743	1.1
225.00830	1.9
234.99832	0.2
242.03627	0.5
243.01921	7.0
244.02182	0.9
245.01990	0.3
256.96887	0.2
258.99878	0.2
261.03015	100.0
262.00327	0.7
262.03140	16.2
262.99115	0.5
263.02911	2.0
266.03427	0.4
275.04559	0.6
278.01010	0.3
278.12186	0.2
278.97430	0.4
279.00571	3.3
279.06003	0.3
279.98068	1.0
280.01001	1.4
281.00256	1.0
284.04581	3.9
284.99896	0.9
285.04675	0.9
285.99936	0.3
297.98654	0.3
301.01071	0.4
303.00763	2.5
303.04395	3.0
304.01013	0.5
304.05017	0.6
320.98062	0.5
321.01776	0.2
321.99603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18900	0.1
53.04435	0.1
55.01852	0.3
55.05492	0.2
59.04980	0.1
65.03928	0.6
67.01840	0.3
67.05471	0.5
68.99777	1.6
69.03402	0.3
69.07039	0.4
70.06561	0.4
71.01338	0.1
71.04974	0.2
71.79086	0.2
79.05467	0.3
81.03410	0.8
81.07030	0.5
84.08140	0.2
85.02899	0.3
85.06522	0.3
86.09687	0.5
87.04444	0.1
89.03827	0.1
91.05460	0.5
93.03387	0.7
93.07023	0.3
95.04961	0.9
95.08616	0.7
97.06496	0.3
99.08062	0.2
105.03366	0.2
105.07025	0.2
107.04938	0.4
107.08550	0.2
109.02874	1.2
110.07170	0.3
111.00774	1.7
111.04429	0.3
115.05431	0.2
117.03376	0.2
117.06979	0.2
119.04909	0.2
121.02846	1.7
121.06445	0.2
121.10150	0.3
123.04436	0.8
123.08015	0.4
127.03893	0.6
129.06984	0.2
129.09081	0.3
130.06503	0.1
131.04834	0.2
133.10043	0.1
134.75256	0.1
134.90179	0.1
135.04390	0.5
137.02325	6.7
137.05951	3.7
138.44688	0.1
141.01854	0.2
141.09082	0.3
145.02824	0.5
145.06470	0.8
147.04424	0.2
149.02313	0.5
149.05946	0.4
151.07582	0.2
153.01801	9.3
153.06897	0.2
154.02100	0.4
155.04837	0.8
157.06441	0.2
159.09186	0.2
161.05923	0.7
163.03902	1.0
163.07442	0.2
165.01807	3.4
165.06947	0.3
166.02510	0.5
171.02921	0.2
173.05962	1.3
177.01901	0.4
177.05437	1.0
179.03302	0.3
183.02852	1.3
183.04401	0.6
183.07925	0.2
187.03859	0.7
191.03325	0.4
195.02884	0.3
201.05440	3.9
201.09027	0.2
203.03506	0.1
205.04915	0.5
207.02647	0.2
207.06310	0.1
211.03889	0.3
211.07487	0.2
213.05426	0.2
215.03433	0.2
215.56230	0.1
219.06467	0.4
228.04150	0.5
229.04921	8.0
230.05406	0.4
232.03697	0.2
239.03470	0.3
245.04437	0.2
246.05145	0.1
247.05972	1.2
257.04413	4.1
258.04968	0.3
267.19250	0.1
271.09601	0.2
274.04688	1.3
275.05405	0.4
281.00797	0.2
281.26318	0.2
285.03918	2.2
285.12634	0.2
286.04459	0.3
286.12531	0.2
303.04935	100.0
304.05276	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	302.1496
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
52.52372	0.5
55.01870	1.2
68.04993	0.5
70.06588	34.7
71.79027	0.8
72.08147	0.9
81.07055	0.6
82.60712	0.7
83.04969	0.6
84.08138	1.4
86.09680	1.6
88.03976	0.7
91.05460	0.8
98.06022	0.8
107.04931	0.7
112.07559	0.9
114.05519	22.4
114.09164	1.1
115.05445	2.7
116.07088	21.2
117.05724	2.0
118.06536	1.3
122.05997	0.9
123.04385	0.6
125.07106	4.7
126.05458	0.8
130.06522	21.3
132.08078	50.0
133.08450	0.9
134.05835	0.7
137.05959	3.3
140.07051	1.4
142.06511	5.5
144.08072	15.8
147.04420	0.8
153.01871	1.3
159.09167	100.0
160.07597	4.6
160.09563	2.8
170.06001	24.7
171.07629	5.7
172.07613	3.8
178.08607	0.8
182.06813	1.1
193.40285	0.6
229.04916	1.1
239.11795	0.7
257.12793	3.3
284.12866	1.0
285.12317	63.6
286.12531	3.0
302.11096	2.8
302.15002	12.3
302.18460	0.9
302.19815	0.7
303.04990	10.5
303.08340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1382
Annotation	6-O-Methylnorlaudanosoline
Peak:m/z	Relative Intensity
51.02367	0.8
67.05479	0.9
69.03403	0.6
70.06586	4.6
71.16689	0.7
71.17029	1.3
71.89865	0.7
72.08132	1.6
79.05485	0.7
84.04464	0.6
84.08144	0.7
85.02879	0.8
86.09686	8.6
91.05471	3.3
94.04178	1.1
94.12501	0.6
95.04967	2.1
103.05482	0.7
105.03374	0.9
109.02799	0.8
109.06505	1.0
115.05424	9.5
117.06990	0.8
119.04884	1.3
119.08577	0.5
122.03622	2.7
123.04409	93.7
124.04762	1.4
124.07670	0.6
129.06998	0.6
131.04909	2.4
137.02356	0.9
137.05959	49.3
140.03366	1.1
140.07069	1.4
143.04898	36.7
144.05299	1.1
147.04361	1.5
149.06023	0.8
151.07533	4.0
157.13275	1.5
160.05177	4.4
161.05939	5.8
163.06273	7.5
163.07552	1.6
165.06967	0.9
175.07518	27.0
176.08139	1.9
178.08606	100.0
179.08618	7.4
181.06458	0.6
185.12827	0.8
189.12392	0.9
199.18036	1.7
207.08035	7.8
210.06560	0.8
211.07518	0.7
221.86331	0.5
224.08281	0.8
225.09006	5.2
227.17357	1.0
229.04967	1.1
235.07425	3.2
253.08521	7.3
270.08823	2.5
273.11234	0.7
285.11172	29.7
286.11493	1.3
302.13831	75.8
303.05020	9.1
303.14230	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01841	1.1
55.40245	0.7
57.03416	2.7
61.02908	2.6
65.03928	2.0
67.05495	25.2
68.62750	0.8
69.03422	12.7
69.07059	11.0
71.18569	1.7
73.02882	1.7
81.03406	5.2
83.01340	0.8
84.08110	1.9
85.02895	35.2
86.02417	0.9
87.04449	1.0
94.06543	1.7
94.48003	0.8
95.04957	44.5
96.05213	0.9
97.02882	26.4
98.03194	1.0
99.04394	0.9
101.66151	0.7
103.03943	4.2
106.20796	0.7
109.02850	6.2
112.07592	35.2
113.05994	2.6
122.06013	2.0
123.04431	1.7
124.07557	2.4
127.03883	6.0
136.07593	2.5
137.05978	2.1
140.07047	100.0
141.07385	2.7
145.04936	3.9
150.09154	1.2
154.08621	5.2
164.06958	0.9
178.08617	3.8
182.08112	53.7
182.84419	0.8
183.08490	2.7
206.08112	12.2
218.08157	2.7
219.70461	0.7
236.09250	2.6
248.09190	7.0
254.58403	0.8
266.10034	1.2
284.11249	1.3
302.12256	3.0
303.40857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89417	1.4
53.03927	2.9
55.01841	3.1
55.05497	5.2
57.03420	4.8
61.02899	4.3
67.05480	6.3
69.03423	13.1
70.06566	6.7
71.01361	1.7
71.52383	2.0
71.52720	3.2
72.07756	2.9
72.08143	43.4
73.02892	4.5
79.05456	5.9
81.03404	7.9
81.07040	9.5
82.06561	7.5
84.08136	2.4
85.02894	87.3
86.09686	11.4
95.04934	7.0
96.08150	2.2
97.02876	37.1
97.06527	2.2
99.04401	2.7
101.92081	1.8
103.03903	6.4
107.04906	4.7
108.08108	14.6
109.02865	12.3
112.07613	3.4
113.56756	1.8
122.05973	8.9
123.04449	3.6
124.07565	3.4
125.05958	4.6
126.05487	7.2
126.09106	3.7
127.03892	20.6
128.07063	15.3
129.10202	2.2
130.06491	2.8
132.10172	5.2
136.07565	20.7
137.06024	8.8
138.05461	2.6
140.07047	49.2
143.11752	18.6
143.64520	1.8
145.04913	13.0
150.09090	3.3
152.07054	19.2
154.08621	6.0
155.85548	2.3
157.13351	3.0
163.03920	2.2
163.06094	2.7
164.07028	21.0
171.11258	12.9
177.07838	2.2
178.08580	20.3
182.08101	100.0
183.08324	3.8
185.12888	2.7
188.09106	2.3
206.08102	47.7
218.08119	5.2
236.09216	3.4
248.09061	10.5
256.15292	1.9
265.30322	1.7
271.09140	1.8
302.11002	3.6
302.15982	7.6
303.04916	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	302.0866
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.00291	0.2
55.01850	0.6
55.05486	0.2
55.46390	0.2
56.96320	0.3
56.96556	2.2
57.03424	1.0
61.02918	1.7
66.37381	0.2
69.03421	3.1
70.06582	1.2
70.58015	0.5
71.04959	0.2
72.08140	0.7
73.02899	0.8
76.10107	0.2
78.03427	0.4
79.05499	0.2
81.03395	1.4
82.12738	0.2
84.04474	0.4
84.08121	0.7
84.96043	0.3
85.02895	8.7
86.09698	0.7
87.04464	0.5
91.03934	0.7
94.02882	0.2
96.08128	0.2
97.02876	3.3
98.97563	2.6
99.04434	0.7
109.02867	1.1
110.07092	0.2
110.08385	0.2
110.97568	0.5
112.03958	0.3
112.07568	0.4
114.09130	0.2
115.20332	0.2
116.07088	0.6
116.98593	1.4
122.02361	3.2
122.05999	0.6
127.03899	2.4
128.02298	0.2
128.98590	0.5
129.10196	0.2
134.05952	0.5
134.99654	0.6
137.05952	1.2
139.03928	0.3
140.03407	100.0
140.07050	1.7
141.03807	1.3
145.04921	1.7
146.99612	0.3
147.03290	0.4
147.04393	0.5
149.04861	0.3
152.07039	0.9
155.04654	0.6
155.54756	0.4
158.99631	0.9
161.01222	0.3
170.99657	0.3
173.09200	0.3
177.00667	1.0
181.01544	0.2
186.04404	0.3
189.00671	0.3
193.00339	0.3
204.05460	0.4
205.00078	0.3
209.92033	0.2
213.16203	0.2
219.01784	0.3
237.02852	1.0
253.07628	0.2
261.02750	0.6
264.83954	0.2
266.06619	0.4
279.00079	0.2
279.03830	0.4
285.69040	0.2
297.06445	0.5
302.08737	4.9
302.11948	0.4
302.16803	0.3
303.04929	0.2
309.08530	0.7
310.09161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.9
55.01863	8.1
55.05502	2.2
56.96556	56.2
57.03429	18.4
58.99868	1.6
59.04998	1.6
59.99926	1.6
60.95821	1.3
61.02918	26.4
69.03418	45.6
69.07082	1.6
69.75723	3.6
69.76135	10.6
70.03757	1.7
70.06595	10.6
70.98107	6.1
71.01343	2.6
71.04977	5.5
72.08137	6.3
73.02903	19.0
74.97597	2.5
81.03401	14.3
83.01295	1.8
83.04918	1.7
84.08134	11.8
84.96035	3.3
85.02895	100.0
86.03233	3.9
86.09695	9.4
87.04453	4.0
88.99153	4.5
89.37286	1.7
91.02466	2.4
91.03969	3.7
96.08163	1.9
97.02884	36.4
98.97573	25.1
99.04446	8.3
101.00883	10.1
101.01505	1.5
101.02319	2.4
109.01315	1.9
109.02863	5.9
110.07168	2.2
110.90188	1.5
110.97569	1.9
111.02930	2.5
112.11259	8.9
112.99135	2.4
113.00860	3.1
114.09145	6.4
115.02417	5.3
115.03909	4.0
116.98610	19.8
117.01857	3.9
119.01903	37.2
119.02721	2.8
120.01967	7.7
120.08086	2.1
120.97873	2.3
121.01633	4.5
121.06499	3.7
122.02316	3.0
122.06047	2.1
122.06897	4.9
124.00814	1.9
124.01778	2.3
125.02658	6.7
127.03900	37.1
128.98576	5.7
129.10251	3.7
129.13872	5.3
130.01854	2.5
130.08650	5.1
130.93327	2.7
131.00143	1.8
131.01865	13.9
131.02673	2.2
132.01971	1.8
133.01578	2.3
133.03459	37.7
134.03598	5.4
134.99628	11.1
135.03180	3.4
137.02788	7.4
138.03345	2.8
138.05499	5.1
138.09114	3.2
138.98915	2.1
139.02382	4.7
139.05855	3.1
139.09474	4.0
140.03377	23.2
140.07027	3.4
140.08105	2.8
142.01892	2.6
142.03482	2.0
142.05356	2.0
143.00140	2.1
143.01860	3.6
143.52731	1.8
144.03349	3.8
145.03461	10.4
145.04941	18.4
146.03178	5.0
146.99602	11.2
147.01300	3.5
147.04247	2.2
149.02936	6.4
149.04803	1.9
151.02391	7.3
151.04529	5.9
152.03149	3.8
152.04535	2.8
152.07024	3.2
155.01892	4.3
156.10194	2.1
157.03464	3.6
158.04895	6.7
158.08105	3.0
158.99591	4.3
160.02908	17.8
160.06459	10.8
160.09703	2.8
160.52977	7.1
161.01201	3.1
161.02950	14.7
162.01820	1.7
162.03102	3.4
162.99121	2.3
163.02611	3.5
163.03966	6.6
165.00708	7.0
165.02040	1.7
166.02930	6.7
169.03404	10.6
169.53517	2.0
170.04852	2.5
171.01358	16.7
172.01524	3.5
172.94345	2.3
172.97569	2.1
173.01555	2.7
173.02858	12.0
174.04472	2.2
174.99359	1.8
175.00891	8.7
175.04587	3.9
176.00999	8.7
177.00665	8.9
177.02391	4.6
178.07491	4.3
179.03807	2.3
181.03404	7.6
183.01573	2.5
185.02937	4.7
187.00876	2.6
187.04739	1.8
188.04178	4.1
188.05939	7.9
189.00696	4.1
189.02411	42.0
189.04305	5.9
190.02559	7.2
190.04095	10.2
190.07521	1.9
190.54298	1.8
190.95436	4.0
190.98631	2.6
191.02171	4.8
191.03992	10.0
191.05486	1.7
192.04337	2.0
193.01942	3.8
193.03545	2.5
194.02071	3.5
196.03853	1.8
199.00865	12.2
199.04555	5.5
200.01112	2.7
200.04446	1.9
201.00789	3.7
201.02515	7.1
202.03931	30.1
202.54144	9.0
203.04028	8.1
204.05460	2.2
205.00217	3.9
206.06999	9.9
207.01659	2.8
207.03568	2.1
207.05319	4.0
208.96358	1.9
211.04482	26.1
211.54594	6.8
212.05228	3.2
215.00392	3.2
215.03941	5.7
217.01915	29.5
218.02040	17.4
218.98064	2.3
219.01653	8.1
219.03526	4.7
219.56845	1.8
220.04991	5.8
220.55099	3.2
221.05096	5.8
223.01138	3.9
224.08046	16.9
227.04143	1.8
229.01985	9.1
231.03523	13.2
232.03656	3.4
232.96416	4.6
233.05142	2.6
236.03064	10.5
237.02809	6.6
239.00645	2.1
241.01941	3.3
243.03511	4.6
245.01428	5.6
245.05150	1.9
247.02985	6.3
249.04506	8.8
250.04720	2.6
250.97589	2.4
251.00591	3.8
259.00131	2.2
259.02975	32.0
259.05429	2.7
260.03186	4.8
271.03079	4.8
277.01172	2.7
277.04068	16.2
278.00891	2.8
278.04095	5.1
278.96826	2.1
279.03998	1.7
287.07831	2.2
289.04062	12.3
296.97839	3.7
297.06375	3.6
300.18027	1.4
301.04263	10.9
301.07330	2.4
301.11108	3.5
301.14621	9.4
301.22202	4.5
302.08823	2.7
302.12665	2.0
307.05093	3.1
319.05103	10.5
319.15384	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	300.1589
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
50.28140	0.2
54.67220	0.2
60.38289	0.2
64.84398	0.2
68.52485	0.2
68.99783	0.6
79.05480	1.0
86.09688	0.3
91.05495	1.2
93.07038	0.9
95.04963	1.0
103.05447	1.2
107.04942	73.1
108.05247	1.4
109.06498	0.3
114.09161	0.3
115.05445	6.8
117.07027	1.3
119.04923	0.9
121.02850	1.1
121.06493	6.1
131.04901	1.4
133.06474	0.5
137.05960	6.5
138.05388	0.3
138.06355	0.3
142.08257	0.2
143.04898	10.7
144.05460	0.5
145.06468	6.6
147.04382	0.3
147.08058	0.4
149.05975	0.4
151.07544	1.0
155.06030	0.4
157.06371	0.3
160.05203	0.7
160.07561	0.3
160.09682	0.3
161.05983	0.8
162.09085	0.8
163.07512	1.1
165.06947	0.3
165.09267	0.3
166.07726	0.7
175.07547	5.5
177.07805	0.5
177.09135	0.7
178.08603	0.8
179.08347	0.3
180.10173	1.0
181.06433	0.6
181.10037	0.5
181.38187	0.2
182.07300	0.3
183.08073	0.3
189.05453	0.5
189.09102	0.4
190.07643	0.4
191.08423	1.5
192.10176	6.6
192.11803	0.5
193.10413	0.2
194.07233	2.1
195.07983	0.3
197.09631	0.6
203.03380	0.4
204.61264	0.2
206.11823	0.6
209.09584	5.2
210.09862	0.4
211.07437	0.4
211.11172	0.6
217.04970	2.3
218.07356	0.3
219.08080	0.7
222.06615	0.3
222.58623	0.2
223.07593	0.4
225.08994	0.5
236.08350	0.5
237.09073	6.5
238.09773	0.5
239.06998	1.0
239.10677	0.5
245.04390	2.0
251.10640	0.4
254.09303	1.0
268.13553	0.3
269.11691	13.2
270.12091	0.8
271.13113	0.4
273.03876	2.2
283.13184	1.3
300.15906	100.0
301.03387	4.7
301.16254	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	300.1592
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
53.03928	0.4
58.06590	1.3
67.05495	0.5
70.06596	1.9
71.04990	0.4
71.79350	0.6
72.08138	1.0
78.05811	0.4
79.05492	1.1
81.03408	0.8
81.07062	0.4
84.04507	0.6
84.08157	0.4
85.02896	0.5
86.09697	1.2
91.05476	2.0
93.07043	1.1
95.04953	1.4
95.08604	0.6
103.05460	1.3
107.04946	76.7
108.05290	1.4
114.09159	0.4
115.05451	4.1
117.07016	1.3
119.04922	1.5
120.08101	1.9
121.06474	4.1
121.08431	0.6
123.08047	0.5
131.04927	3.2
133.06479	1.1
137.05966	8.0
138.05489	1.7
143.04909	8.5
144.05681	0.6
145.06464	6.3
147.04443	0.4
147.08006	0.8
149.05984	2.9
151.03905	0.7
151.07556	1.7
153.06953	0.7
157.06432	0.4
160.05219	2.0
160.09705	0.5
161.05812	0.4
162.06754	0.6
163.07532	1.7
165.06921	0.7
167.08514	0.7
172.71001	0.4
175.07541	13.2
177.05421	2.1
178.08675	0.9
179.08530	0.9
180.10222	0.6
181.06500	1.3
181.10136	0.9
182.07272	1.3
183.08075	0.8
191.08531	2.9
192.10196	2.2
194.07204	2.1
195.08072	1.0
197.05948	0.5
197.09605	3.4
209.09579	7.7
210.06859	0.6
210.09908	0.6
211.07567	0.7
211.11087	0.7
219.08003	1.4
222.06793	0.4
223.07558	0.7
225.09084	1.5
237.09087	9.7
238.09517	0.9
239.07021	1.4
239.10588	0.7
240.07672	0.4
241.08551	1.1
254.09355	1.9
257.11755	2.3
268.07816	0.4
268.13354	0.6
269.11707	19.5
270.12061	1.0
271.13379	1.7
282.11230	0.6
285.07544	0.5
300.15915	100.0
301.10876	3.2
301.16205	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	300.1589
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
55.01846	0.9
60.28642	0.4
62.65290	0.4
64.58723	0.3
68.99751	0.5
69.53880	3.7
70.06562	0.6
72.08131	0.4
72.12545	0.4
79.05468	0.4
81.03400	0.4
83.04965	3.3
91.05471	0.9
94.94273	0.3
95.04948	0.6
107.04939	12.3
110.77806	0.4
115.05437	1.6
115.95329	0.4
121.02816	0.5
121.06486	13.2
129.07028	0.4
137.05960	1.9
138.05476	1.0
143.04918	3.6
145.06490	1.2
147.88007	0.4
149.05943	0.5
151.07564	0.5
153.06949	0.5
159.07997	0.8
160.05180	0.9
160.07573	0.8
165.06973	0.9
166.07663	0.7
167.08585	0.4
174.09119	2.2
175.07501	3.3
177.05386	0.7
178.08615	0.4
179.08430	1.0
181.06439	0.9
181.10088	0.9
183.08020	1.8
186.06718	0.6
186.09134	3.9
187.09822	1.0
188.07069	0.5
188.10657	0.6
189.05489	0.5
189.07700	0.4
189.09099	3.6
191.08426	1.0
192.10153	0.9
193.10074	0.9
194.07150	0.5
194.11920	0.5
195.08003	1.3
196.08908	0.6
197.09644	2.2
201.09007	3.2
202.08577	8.6
203.03413	0.4
203.09349	3.7
207.08044	1.2
208.06987	0.4
208.08795	1.7
209.09593	2.8
210.10367	2.0
211.07542	1.5
211.11082	0.8
212.08264	2.3
214.09749	0.7
215.10634	1.1
216.10190	1.1
217.04904	2.3
217.10982	3.8
218.11740	11.9
222.10286	0.7
223.11169	1.8
224.11935	1.6
225.09035	1.9
225.12688	0.4
226.09865	2.7
227.10631	3.9
232.00603	0.9
235.11090	0.5
237.09138	2.2
238.09810	0.4
239.06972	1.5
239.08333	0.4
239.10603	5.4
240.11334	2.3
241.08493	0.4
241.12241	1.9
245.04440	2.0
250.09950	0.7
251.10680	3.0
252.11404	8.2
252.13849	0.7
253.08531	1.6
255.13707	0.7
256.13388	0.5
268.10846	4.6
268.13428	0.5
269.11578	2.3
271.13266	1.9
272.13287	0.5
273.03876	1.8
282.14771	0.7
282.57010	0.4
283.13242	16.5
284.13437	0.6
300.15894	100.0
301.03363	5.7
301.11322	1.2
301.16193	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	300.1074
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
53.03922	0.3
55.05486	0.3
56.96553	2.7
58.06591	0.5
59.04756	0.2
59.04996	2.9
60.04527	0.3
60.36576	0.3
61.02913	0.3
68.24082	0.3
69.03409	0.7
69.07060	0.4
70.06581	2.5
71.73208	0.6
72.08115	0.4
73.02901	0.2
76.92112	0.3
81.03374	0.4
81.08369	0.2
84.04501	0.4
84.08118	0.9
85.02895	2.0
86.09688	0.5
87.04481	0.3
87.58949	0.2
89.06011	1.0
92.04996	0.6
94.06559	2.1
96.04522	0.4
97.02890	0.5
98.06065	0.3
98.09630	0.3
98.97571	0.8
103.07566	0.6
109.02853	0.3
110.06024	1.4
114.09150	2.2
116.07049	0.5
116.98593	1.0
120.08081	1.2
121.06508	0.5
121.08606	6.2
122.06046	0.3
127.03883	0.3
132.08072	0.3
134.99719	0.5
135.47267	0.2
136.06152	0.4
138.05481	100.0
138.09042	3.1
139.05815	1.6
140.07071	0.7
145.01688	0.4
145.04968	0.4
147.03288	0.6
147.04436	0.3
152.05663	0.3
158.99706	0.3
161.01212	0.3
163.02753	0.6
163.03964	0.4
165.04248	0.3
173.01163	0.6
177.00648	0.7
185.09222	0.6
191.02264	1.0
202.10718	0.9
209.03291	1.5
215.02228	0.4
237.02750	0.5
241.15593	0.2
277.02319	0.7
300.10690	0.9
300.14468	1.0
300.17972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2736
Annotation	Cassine
Peak:m/z	Relative Intensity
50.38211	0.6
53.03920	1.6
55.05263	0.9
55.05504	10.3
56.05025	6.1
56.96542	1.4
57.07066	3.6
58.02942	2.0
60.04505	2.5
60.12747	0.6
65.03919	0.8
67.05495	16.5
68.05004	2.4
69.03403	1.9
69.07059	13.3
71.04975	1.3
71.08601	2.3
71.79618	0.8
72.04501	1.0
79.05477	9.1
80.04995	1.8
81.03403	0.7
81.06596	1.1
81.07042	15.6
82.06565	6.6
83.04952	2.2
83.08601	7.5
84.08115	1.3
85.10175	0.8
86.06044	2.3
91.05466	6.8
93.07024	7.9
94.06561	3.6
94.15611	0.6
95.04928	1.6
95.08587	12.0
96.08121	1.6
97.06499	1.2
97.10155	3.4
98.06023	1.3
100.07581	2.5
105.07005	3.3
107.08578	5.0
108.08066	1.1
109.10115	4.5
111.04413	0.6
114.09127	0.6
115.78600	0.6
117.07005	0.6
119.08581	2.7
121.10117	2.9
122.09652	1.0
123.11662	1.6
126.09103	0.6
131.08517	0.7
133.10110	2.7
135.08046	1.3
135.11658	1.9
136.06172	2.0
140.10542	0.6
147.11673	1.6
149.13167	0.7
151.14825	0.8
154.12277	0.8
155.08472	0.6
159.11661	0.5
161.13245	0.7
163.14783	0.7
165.07605	0.6
185.97221	0.6
191.17998	0.8
243.14821	0.7
245.22571	0.8
250.25221	6.8
251.06863	0.6
260.23550	0.8
262.25262	3.3
263.23676	0.6
266.09540	0.6
280.26309	100.0
281.11780	1.0
281.26669	6.8
298.10648	2.3
298.14270	1.3
298.18927	1.0
298.22409	0.8
298.27634	0.7
298.31039	0.6
299.19971	1.9
306.68054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
52.92673	0.6
53.03929	0.8
55.01842	0.7
55.05497	3.5
57.07046	1.7
58.06578	0.8
67.05502	5.5
67.44223	0.7
69.03399	1.6
69.07057	3.7
71.04993	0.8
71.79813	0.7
76.04082	0.6
79.05475	7.1
79.64439	0.7
80.18035	0.6
81.03403	0.7
81.07048	7.4
83.04942	2.5
83.08595	3.5
85.02911	1.0
85.06495	1.2
91.05466	23.7
93.07027	10.6
95.04945	2.3
95.08595	10.9
97.06517	0.9
97.10139	0.8
101.67899	0.6
103.05409	1.5
103.17925	0.6
105.07015	18.9
106.07314	0.8
107.04915	1.9
107.08574	9.0
109.06486	2.5
109.10145	4.0
111.08055	1.1
111.11621	0.7
115.05461	1.7
116.06222	6.7
117.07000	2.1
119.04919	5.0
119.08554	15.2
121.06492	1.8
121.10128	8.3
123.08024	3.0
123.11665	1.8
125.09586	2.8
128.06178	1.4
129.06984	8.1
130.07753	0.9
131.08546	37.7
132.08881	1.4
133.06432	0.9
133.10127	3.4
135.08020	2.0
135.11670	2.0
137.09621	0.6
141.07008	0.7
142.07762	2.7
143.08516	4.8
145.06462	1.0
145.10086	6.0
147.08035	1.3
147.11673	4.7
149.09599	4.2
149.13229	1.0
155.08536	2.4
156.09334	2.0
157.10104	5.6
159.08029	100.0
159.11597	4.4
160.08330	3.3
161.09581	3.7
161.13205	2.8
163.11198	1.1
167.10655	0.7
169.10098	2.6
170.28181	0.7
171.08080	0.7
171.11685	6.8
173.09558	1.0
173.13251	1.4
175.11137	1.8
176.11836	0.8
182.10907	1.5
183.11664	4.5
185.09659	1.4
185.13263	1.3
187.11142	2.0
187.14755	1.0
189.12753	4.0
192.09254	0.9
193.10144	1.2
194.10828	0.8
195.11844	0.9
197.09535	1.1
197.13226	5.7
199.11110	3.9
199.14815	2.3
201.12727	2.5
201.16252	0.7
206.10847	1.0
207.11681	2.3
207.13728	1.1
209.13205	0.9
211.11160	1.0
211.14847	1.7
213.12683	1.3
215.14279	1.4
221.13200	1.5
223.14799	1.7
225.12764	3.7
225.16383	1.7
233.13159	0.8
239.14236	1.5
239.17976	0.7
239.25519	0.7
241.15793	0.8
241.19547	0.7
243.13930	1.0
253.19556	1.8
255.21059	1.3
257.18979	1.7
263.17886	4.5
281.19092	22.0
281.22308	1.3
282.19397	1.0
299.06030	0.7
299.08997	1.4
299.20053	47.1
299.23566	6.6
300.06317	0.7
300.16525	0.6
300.20367	3.0
317.62921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01855	1.1
55.05500	21.3
56.05001	0.6
56.96550	2.2
57.03413	1.4
57.57357	0.4
59.04706	0.8
59.04989	12.2
61.01120	0.7
61.02905	1.4
69.03423	3.9
69.07058	1.4
69.92545	0.5
70.06581	3.5
71.04992	1.1
71.72324	0.9
72.08138	1.9
73.02910	1.3
73.06527	2.3
79.05489	0.8
81.03401	3.5
81.07048	0.7
83.04968	10.7
83.05460	0.6
84.04475	1.1
84.08136	1.9
85.02895	8.9
85.06541	0.6
86.06060	0.6
86.09661	0.6
88.03982	0.6
91.05457	1.7
95.01293	0.8
95.04934	1.0
95.06071	0.6
97.02887	3.7
97.06543	0.7
98.06073	0.6
98.97573	3.2
99.04443	1.5
101.06003	100.0
102.06340	1.8
108.04453	0.9
109.02848	2.6
109.05135	0.6
110.07153	1.1
114.09150	1.0
116.07121	0.8
116.98582	2.8
119.07034	46.8
120.07324	1.1
120.08123	1.7
123.04371	0.4
124.03915	2.4
126.05508	0.9
127.03922	2.7
128.04491	0.5
128.98616	0.7
130.06511	0.7
130.08623	0.7
134.99617	0.9
135.02966	0.5
136.03926	16.3
136.06161	14.8
136.07272	0.8
137.02351	1.1
137.04243	0.7
138.05452	0.6
139.03963	0.6
140.07106	1.1
142.08606	0.6
145.04970	1.3
146.99600	0.8
150.05418	0.9
152.05653	19.2
152.06917	1.1
153.04066	1.8
154.04970	14.5
155.04597	0.7
158.99570	1.0
162.05370	0.7
163.02747	0.6
163.03975	1.5
164.07031	0.6
166.07233	20.7
166.09727	1.0
167.05659	2.7
174.09097	0.8
177.00719	2.3
179.08447	0.6
182.03259	0.6
183.07993	0.7
193.10841	2.8
197.05750	0.6
199.10727	0.7
207.08144	0.8
211.07545	0.6
234.11137	0.9
235.07556	1.6
237.02846	1.5
239.07092	0.9
239.11299	3.7
252.10147	1.0
262.10760	1.1
267.09836	0.5
276.07590	0.9
280.08139	2.0
280.11533	1.0
281.08087	0.8
298.09161	8.2
298.15060	4.7
298.18317	2.0
299.06165	1.2
299.09409	0.9
299.16629	0.6
300.06143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1435
Annotation	Tuduranine
Peak:m/z	Relative Intensity
55.47287	0.4
69.58901	4.6
69.59259	0.7
78.15853	0.5
84.63390	0.5
98.20705	1.1
104.93767	0.4
107.04935	1.4
109.83641	0.4
120.89902	0.4
121.06464	0.7
122.06022	0.5
126.22427	0.5
130.06435	0.8
136.03949	0.5
146.05992	10.7
148.07530	0.5
150.06726	1.4
154.04941	0.9
160.07553	18.3
161.08342	51.4
162.05493	1.0
162.08771	1.4
163.40532	0.5
163.60820	0.5
165.06973	1.2
165.09131	2.5
166.07678	1.2
167.08556	1.2
174.05528	0.6
175.06215	1.2
176.07019	4.0
177.07819	2.9
178.07825	1.0
179.08537	1.2
181.10054	0.8
190.08604	11.2
191.08524	0.5
191.09488	0.6
192.10170	44.2
193.10483	1.5
194.07274	5.0
195.07986	4.6
205.06400	0.5
206.07228	1.2
207.08032	3.2
209.09584	1.5
210.10312	2.6
211.07526	2.9
219.08078	0.6
221.09613	0.8
222.06827	3.5
222.10292	3.3
223.07481	5.9
224.08177	1.2
225.09111	1.2
226.09827	2.0
235.07520	1.0
237.09093	1.7
238.09837	14.5
239.07088	3.3
239.10327	1.3
240.07608	0.8
241.08559	2.0
241.12242	1.5
250.09837	2.7
251.06976	0.6
253.12234	5.2
254.09352	13.0
255.09773	0.6
266.09332	1.4
269.11682	13.6
270.12054	0.7
281.11630	6.1
298.14337	100.0
299.14639	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	298.1143
Annotation	Nelarabine
Peak:m/z	Relative Intensity
53.03922	0.2
55.01855	0.6
55.05504	1.1
56.05027	0.3
56.96295	0.2
56.96557	3.1
57.03435	1.1
57.04550	0.3
59.04993	8.6
60.04513	0.2
61.01141	0.4
61.02904	0.8
65.65679	0.2
67.05481	0.3
68.05013	0.2
69.03422	1.9
69.07048	0.5
69.84229	0.2
70.06583	2.4
70.36373	0.3
70.36794	0.6
71.01321	0.2
71.04974	0.5
72.08127	0.6
73.02906	0.9
73.06504	0.3
75.02704	0.2
79.05481	0.3
81.03418	0.9
81.07043	0.3
82.06558	0.2
83.04965	0.7
84.04471	0.5
84.08130	1.1
84.96031	0.3
85.02896	3.4
85.06573	0.4
86.09699	0.3
87.04453	0.5
88.04025	0.2
91.05450	0.4
95.04942	0.5
96.08088	0.3
97.02885	2.6
97.06525	0.2
97.07639	0.2
98.06043	1.2
98.97563	4.4
99.04423	0.6
101.02377	0.3
101.06004	12.3
107.04945	0.4
108.01492	0.2
108.19903	0.2
109.02859	1.0
109.05099	0.8
110.03477	0.4
110.06030	0.2
110.07150	0.5
110.97565	0.2
111.04444	0.3
112.07585	0.3
113.06011	0.2
114.09167	1.6
115.03909	0.3
116.07074	0.2
116.98609	4.1
118.06541	0.5
119.01868	0.7
119.03400	0.5
119.04916	0.5
119.07043	6.5
120.08068	0.4
121.05089	0.3
121.06481	0.2
122.06039	0.2
123.04391	0.3
124.03892	0.3
126.05457	0.3
126.12788	0.3
127.03864	1.0
128.04501	0.8
128.98563	0.5
131.00172	0.2
131.04842	0.3
133.02797	0.3
133.07613	0.2
134.05995	0.3
134.99634	2.9
135.02942	0.3
136.03969	1.6
136.06168	11.0
136.09671	0.8
137.02924	0.3
137.05939	0.9
138.05444	0.2
138.98738	0.2
139.03886	0.2
140.02379	0.2
140.07025	2.1
141.05345	0.2
142.08630	0.2
142.12173	0.2
143.00175	0.3
145.04924	0.9
146.99611	0.5
147.04401	0.6
148.08641	0.3
149.01276	0.3
149.02739	0.2
149.04568	2.2
151.08641	0.2
152.05669	3.1
152.06944	0.4
153.00662	0.5
153.04042	2.1
154.04977	2.3
154.06110	0.3
155.04605	0.4
156.07655	0.3
158.01260	0.4
158.99615	0.9
159.79779	0.2
161.01201	0.4
161.04697	0.5
163.03960	0.7
163.08633	0.2
164.09042	0.3
165.00682	0.4
165.09012	0.2
166.07228	100.0
167.05635	9.2
167.07433	1.2
168.11302	0.3
170.99629	0.5
173.01254	0.3
174.04378	0.3
177.00667	1.7
178.09763	0.4
178.98712	0.2
179.07169	0.2
180.08719	0.3
182.03343	0.3
185.06560	0.3
186.04402	0.3
187.02870	0.2
189.00673	0.4
191.02248	0.2
191.03899	0.3
193.04237	1.0
193.10860	1.4
195.01755	0.3
200.04350	0.3
201.00633	0.4
202.04906	0.3
204.05426	0.3
205.00226	0.3
205.03836	0.5
207.07021	0.2
208.04903	0.3
211.05513	0.2
217.05440	0.5
217.07294	0.4
217.55278	0.2
218.06235	0.2
219.01736	0.9
223.05002	0.2
223.55443	0.2
227.06822	0.3
228.05370	0.3
232.96336	0.2
233.06747	0.3
237.02771	1.2
239.11388	2.4
256.05133	0.2
256.96518	0.3
265.06528	0.4
274.06982	0.8
274.97504	1.9
276.07562	0.5
280.07315	0.5
280.15985	0.4
280.57126	0.2
292.98520	1.6
298.09225	1.8
298.18167	1.1
299.06088	0.4
299.09363	0.3
299.13647	0.2
299.16922	0.2
308.33408	0.2
309.08484	0.6
310.09003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0972
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
53.03926	0.3
53.62465	0.1
55.05511	0.2
57.03420	0.3
58.06580	0.5
61.00844	0.3
61.01138	4.7
62.29739	0.2
66.11043	0.2
69.03419	1.4
69.88746	0.3
69.89155	0.8
70.06570	0.8
71.04955	0.2
72.08142	0.4
75.02695	2.1
77.13415	0.2
81.03407	2.1
83.08594	0.2
84.08105	0.2
85.02890	1.1
86.09673	0.3
87.04466	0.2
93.07013	0.2
94.04045	0.3
95.01295	0.6
97.02875	2.3
98.20715	0.3
99.04431	0.3
100.25233	0.1
101.09657	0.2
103.02148	0.3
108.04464	0.6
109.02863	1.1
110.06020	0.4
110.07172	0.2
119.03539	0.5
120.08128	0.1
121.06479	0.2
122.06802	0.4
126.05471	0.8
127.03907	0.2
130.47200	0.1
136.03952	15.5
136.06157	100.0
137.02368	0.2
137.04395	0.4
137.06516	0.9
145.03185	1.4
145.04999	0.2
146.05861	0.2
154.04961	16.8
155.05278	0.3
163.04178	1.5
165.06960	0.2
167.08420	0.2
168.06514	0.2
179.08752	0.2
195.08040	0.2
223.07516	0.4
231.73180	0.2
255.08884	0.4
267.10010	0.2
270.11203	1.1
280.08069	1.8
283.08560	0.2
298.09546	10.6
298.14325	1.2
299.05984	0.3
299.09796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
56.96296	1.3
56.96558	19.8
56.96840	1.0
59.97032	0.7
61.01139	1.5
61.02896	1.5
62.10291	0.7
66.03043	0.7
67.10597	0.7
69.03406	3.1
70.06577	4.2
70.98107	0.8
71.78786	1.1
71.95248	2.0
72.08142	0.8
73.02890	1.1
74.97607	1.1
75.02687	0.9
77.00886	1.0
81.03413	1.2
81.07049	0.8
81.33223	0.7
84.04459	0.9
84.08125	4.8
85.02880	5.6
86.09681	2.8
88.72672	0.8
88.99165	0.9
91.05466	2.0
95.04947	1.0
96.08089	1.1
96.77419	0.7
97.02886	3.9
98.97568	89.8
101.00864	2.2
107.04909	0.9
108.78742	0.8
109.02863	1.1
110.07100	1.0
110.97555	1.7
112.07614	0.8
114.09178	2.3
114.10205	0.8
115.02390	1.3
116.98605	78.1
118.06519	0.9
119.01888	13.9
119.04928	1.0
120.08146	0.9
123.01259	0.7
126.09094	1.4
127.03892	1.9
128.98587	2.0
129.03979	0.9
130.08627	8.3
130.93353	1.0
131.01912	1.0
132.99965	0.8
133.03488	1.4
134.99635	41.3
136.03947	1.1
136.06161	37.9
137.02936	4.8
137.05975	3.6
140.00165	2.0
140.07092	1.2
143.01878	2.2
143.05507	1.5
145.03349	2.2
146.99594	1.8
147.04413	2.5
148.08740	1.1
152.07080	1.1
153.00665	4.7
154.04959	1.0
158.01241	1.9
158.99644	2.8
161.01401	0.7
161.02876	3.7
161.06587	3.8
163.04323	1.2
166.07210	8.3
166.09753	1.4
171.01370	1.1
172.08244	1.4
172.94341	3.3
173.02881	0.9
177.00729	3.2
178.09775	1.0
184.08148	1.4
185.02930	1.6
188.07562	1.8
189.00792	1.2
189.02414	1.3
189.05931	1.2
190.95358	4.8
190.98560	1.0
191.03918	2.2
193.10876	5.5
200.04372	3.2
203.04002	1.9
203.07611	1.3
204.10820	1.5
207.07088	3.4
208.04825	2.7
208.96443	2.4
213.02481	2.3
214.95374	2.2
216.55710	1.2
217.05460	3.0
219.01778	1.7
230.08800	0.9
231.03397	1.8
231.07256	1.0
232.96443	7.7
232.99281	1.2
233.01497	3.9
237.02791	1.8
238.05786	1.0
239.11354	8.3
245.05200	0.9
250.97473	6.0
251.02507	9.1
254.08583	1.2
256.96332	12.5
257.01260	1.8
257.05182	1.3
266.04996	1.0
272.09756	1.1
274.97461	100.0
275.02408	4.2
275.05957	2.2
280.04251	1.0
280.06888	1.9
284.06058	1.1
289.07541	2.1
292.98529	81.6
293.03381	12.3
297.99115	2.5
298.09445	1.4
298.12585	1.8
298.18579	3.3
310.99432	1.3
316.00174	2.1
316.05219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13539	1.7
56.96553	16.7
58.09272	1.8
70.83617	3.6
73.54506	1.7
91.73217	1.8
98.97567	90.3
101.00840	8.1
108.34129	1.6
116.98607	83.2
119.01910	55.2
134.99640	37.8
137.02934	22.1
140.00136	3.1
142.03459	2.2
153.00676	4.6
158.01274	2.3
172.94353	3.4
174.97569	1.7
177.00873	3.9
178.01180	1.7
185.02910	5.6
189.02505	1.8
190.95409	3.4
192.98741	2.5
203.04047	4.7
208.96346	2.9
213.02434	6.2
216.98709	2.6
219.01967	3.8
221.01971	1.7
231.01248	1.6
231.03404	8.9
232.96426	7.7
250.97433	6.6
256.96375	12.6
257.01367	14.3
261.03119	8.4
274.97470	100.0
275.02097	17.8
275.05334	3.5
292.98532	78.7
293.03421	3.0
297.98907	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	297.242
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.05503	16.2
57.03421	4.3
57.07059	9.7
62.06076	8.8
64.49541	2.7
67.05499	38.2
69.07057	24.8
70.47296	11.5
71.04991	2.6
71.08618	100.0
72.08955	3.2
79.05491	18.7
81.07043	57.4
83.05006	4.3
83.08598	14.3
83.74379	2.7
85.06523	4.2
89.76374	2.4
91.05482	16.3
93.07034	21.9
95.04958	4.8
95.08583	41.4
97.06519	3.6
97.10153	7.2
99.08076	76.0
105.07013	13.6
107.08578	15.2
109.06534	2.7
109.10130	13.4
109.43287	2.4
111.08073	3.0
113.09635	3.5
119.08585	15.0
121.10121	15.2
123.08018	4.0
123.11680	8.0
125.09624	3.5
127.11146	3.3
131.08559	11.7
132.87308	2.7
133.10118	5.6
135.11639	13.0
136.06149	5.6
136.47849	2.8
137.13261	5.5
141.12669	2.9
145.10091	10.6
147.11652	38.4
149.09608	4.5
149.13290	6.4
153.12717	9.8
155.08571	2.9
157.10147	3.4
159.11719	5.9
161.13248	6.4
163.11110	5.1
163.14796	12.0
165.12750	16.1
167.14290	4.2
173.13303	6.7
181.15878	11.5
192.63835	2.7
206.19067	2.6
209.13336	3.4
224.73206	2.7
233.22591	3.3
243.21016	11.4
251.23590	3.4
261.22110	21.3
271.76428	2.9
279.23148	75.1
280.23724	5.2
297.18518	6.2
297.22168	10.9
297.25369	4.0
298.27472	7.6
313.18283	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	297.2419
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03922	3.8
55.01859	7.7
55.05503	63.1
57.03416	8.5
57.07067	20.6
65.03876	3.2
67.05494	83.4
69.03397	4.6
69.06686	2.9
69.07061	60.9
71.04971	6.9
71.08623	10.3
79.05481	31.6
81.07041	83.1
82.07378	3.8
83.04952	6.8
83.08607	40.2
85.06518	8.0
85.10177	3.2
87.04398	2.3
91.05460	12.3
93.07031	33.5
95.08597	75.2
97.06527	11.2
97.09573	3.4
97.10159	51.8
99.08080	3.8
105.07041	10.2
107.08575	38.5
109.06510	4.5
109.10143	48.7
111.08071	5.7
111.11674	5.1
117.07012	5.7
119.08540	9.9
121.10140	16.5
123.11674	14.7
125.09608	30.7
131.08521	5.4
133.10127	9.0
135.08038	5.5
135.11656	28.6
136.06133	5.7
137.09595	2.7
137.13228	12.1
141.12733	2.3
145.10074	6.8
147.11633	8.2
149.09708	3.3
149.13213	4.7
151.11221	2.0
151.14786	4.7
153.09033	3.9
153.12703	10.3
159.11681	6.3
161.13234	3.6
163.11218	3.0
163.14824	5.4
165.12756	7.0
169.15857	6.8
170.73213	2.1
171.10095	2.9
173.11690	7.5
173.13249	5.7
175.14719	2.4
177.16313	3.5
179.14267	4.5
181.11957	2.2
183.13789	36.4
187.14691	4.2
189.11156	21.6
195.13744	3.3
209.15244	2.0
223.16937	4.1
233.22638	3.7
243.20877	10.0
251.23633	8.3
261.22089	30.3
279.23151	100.0
280.23480	7.1
297.14944	2.8
297.18362	6.1
297.24344	12.4
298.10480	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	296.2216
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
54.07995	0.3
55.05489	1.3
56.05005	0.4
57.07067	6.7
67.05487	2.1
68.04988	0.4
69.03402	0.5
69.07069	1.4
70.06578	9.7
70.39175	1.3
71.04979	0.6
71.08235	0.5
71.08615	9.3
71.24912	0.3
79.05470	1.3
80.04974	0.9
81.07037	4.7
82.59222	0.3
83.08601	0.7
85.10165	4.9
86.06061	0.4
93.07024	0.5
94.06550	0.4
95.08591	5.9
96.04478	0.5
96.08115	8.4
96.08831	0.4
98.06035	0.5
98.20831	0.3
105.07052	0.3
106.06530	4.1
108.08112	0.4
114.05495	0.9
114.09144	3.4
118.06501	0.4
119.08526	0.3
120.08102	0.9
124.07582	2.7
131.08553	0.4
134.09590	0.4
137.13254	0.3
138.09120	0.6
142.08609	36.2
143.08934	1.0
149.37015	0.3
155.14276	1.3
158.76128	0.3
170.89525	0.4
180.10147	0.6
232.20573	2.5
250.21616	26.2
251.21976	1.5
269.96606	0.3
278.21500	0.3
296.22159	100.0
297.22510	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	297.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.7
56.96557	91.1
57.03424	4.3
57.07067	1.8
60.95829	4.1
61.02912	6.1
61.71506	1.8
69.03415	15.1
69.68523	1.7
70.06567	5.4
70.08615	9.6
70.98106	22.1
71.04971	1.7
71.95255	3.7
72.08134	7.3
73.02895	6.5
74.97632	2.2
79.05453	2.1
81.03417	3.5
83.04971	2.0
84.04460	3.4
84.08118	7.4
84.96013	4.1
85.02892	21.4
86.09673	2.7
87.04453	3.1
88.99158	11.6
91.05463	5.8
96.08138	2.2
97.02853	10.5
98.06023	3.3
98.20737	2.5
98.97566	100.0
99.04434	2.6
101.00882	2.9
102.96836	1.9
107.00221	1.6
109.02834	2.3
110.07130	3.7
110.97564	8.9
114.09152	13.1
116.98603	81.1
119.01886	21.5
119.04950	6.6
120.01190	2.0
120.97820	2.8
127.03894	5.8
128.98589	14.0
129.10201	1.8
130.08611	8.1
130.93306	2.4
131.01907	2.1
134.99640	47.3
136.06161	8.8
136.07579	4.3
137.02963	8.1
137.05948	23.1
138.05452	2.3
140.07043	8.1
140.98549	1.6
143.00172	3.1
143.01880	3.2
145.03485	2.0
145.04941	3.0
146.99661	16.6
147.04361	12.5
149.01163	3.5
153.00716	9.5
155.00247	2.2
158.99626	15.8
160.09567	1.9
161.01215	3.8
161.02911	5.3
161.06575	2.4
164.07025	4.6
165.00682	5.7
166.07278	2.2
170.99648	7.7
171.01199	2.2
172.97551	19.0
177.00685	22.8
179.07030	3.7
185.02925	3.0
189.00699	14.7
189.02261	4.0
190.95377	6.5
190.98611	65.3
191.02290	2.4
191.03882	3.2
194.97961	4.0
196.02527	1.8
198.04648	2.4
200.02409	2.4
200.04399	5.7
200.97047	6.0
201.00549	2.2
205.00159	3.6
207.01776	8.7
207.05350	2.3
208.04895	5.0
208.96428	2.3
208.99658	13.6
213.02362	3.5
214.00218	3.1
214.98544	2.4
216.98627	2.7
217.05313	11.5
217.55545	1.8
218.95958	3.8
218.98105	73.9
219.01715	9.6
219.05031	2.5
223.01233	4.0
225.00763	2.1
232.04745	1.7
232.96439	7.4
232.99571	10.3
235.02841	3.3
236.99123	40.3
237.02621	9.5
237.55046	2.7
241.02191	1.9
241.99712	10.9
244.05823	1.9
245.87988	1.6
246.82146	1.8
249.02832	2.5
250.97833	3.5
251.00667	40.4
251.02911	3.1
253.40712	2.1
255.00031	2.2
255.03728	3.9
256.96313	9.2
267.07178	3.1
269.01828	15.9
274.02396	4.9
274.97498	71.7
275.00409	4.5
275.02417	5.0
279.03720	15.3
280.07089	5.9
283.02972	2.4
289.07483	4.8
292.98520	50.6
293.03564	3.6
297.04822	10.2
297.07922	3.8
297.14999	6.0
299.06134	3.2
316.00140	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	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.86792	2.2
55.01868	4.5
55.05504	16.0
57.03424	22.2
57.07058	9.4
67.05494	47.8
69.03414	3.8
69.07059	23.2
71.04984	6.4
71.08617	3.5
71.80044	2.5
74.61023	2.1
79.05484	32.7
81.07040	73.3
83.04974	3.8
83.08601	13.1
85.06538	6.5
91.05460	19.7
93.07025	49.2
93.07575	3.6
95.04915	5.5
95.08586	62.6
97.06523	7.1
97.10155	6.8
105.07002	27.0
107.08565	44.2
109.06509	7.0
109.10144	24.4
111.08065	4.2
117.07031	7.3
119.08549	20.3
121.10121	40.4
123.08099	9.7
123.11726	7.9
131.08546	16.8
133.10103	21.0
135.11655	23.5
137.09550	4.4
139.11162	2.8
141.06950	2.4
143.08582	8.4
145.10101	16.7
147.11664	15.7
149.09613	2.8
149.13268	12.1
151.11154	3.0
155.08559	2.6
157.10118	7.3
159.11658	13.6
161.13251	7.0
163.14853	6.2
165.12737	3.1
169.10127	5.3
171.11650	12.1
173.13206	12.0
174.13516	2.5
175.14832	8.5
181.12270	5.8
183.11694	6.0
185.13303	10.4
187.14789	19.7
197.13321	7.0
199.14864	8.7
201.16441	8.2
205.15852	11.1
207.17528	10.5
211.14883	6.9
213.16394	4.0
221.19046	4.1
223.17049	7.6
225.16452	9.7
235.14854	3.1
239.18016	9.7
241.19626	8.0
253.19536	3.6
259.20663	13.9
277.21600	51.4
278.22006	4.5
279.23111	4.0
295.17282	4.9
295.24234	100.0
296.24716	7.0
296.29544	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	295.299
Annotation	Cassipourol
Peak:m/z	Relative Intensity
53.75603	1.3
53.75909	1.7
55.05501	39.4
57.03420	2.2
57.07066	50.9
58.32436	1.7
67.05490	32.6
69.07056	100.0
70.07375	3.1
71.04967	2.5
71.08243	2.2
71.08617	34.2
71.78773	2.9
79.05460	7.2
81.03406	1.9
81.07041	83.1
83.08605	60.6
85.06519	15.7
85.10168	20.6
88.16978	1.5
91.05457	5.8
93.07032	8.5
95.04961	2.1
95.08588	86.7
96.08923	3.5
97.09569	2.9
97.10155	48.8
99.08060	7.9
99.11674	2.7
101.09616	1.9
105.07011	12.6
107.08551	6.8
109.09402	2.7
109.10143	54.5
111.11696	40.4
112.12000	2.4
113.09669	1.6
119.08551	7.3
121.10116	6.5
123.11684	26.4
125.13234	22.0
129.06975	2.2
131.08536	4.3
133.10147	4.8
135.11620	2.6
137.13234	11.3
139.14769	6.7
143.08525	5.1
145.10059	5.7
147.04265	1.8
147.11584	2.9
149.13228	5.9
151.14803	9.6
155.08499	3.9
155.14304	2.5
157.10107	2.7
159.11613	5.0
165.16344	4.2
169.10115	3.5
169.15814	3.9
171.11652	5.2
173.13269	2.3
177.16383	2.6
179.18025	3.2
181.10028	1.8
183.11644	4.3
185.13217	3.1
187.14824	2.7
195.21072	2.5
197.13354	1.8
199.14777	3.7
201.16267	2.7
211.14758	3.3
213.16397	3.3
225.16382	2.9
239.17850	5.6
253.19489	2.3
262.10999	1.5
277.14038	1.9
277.21548	4.9
277.28915	4.5
278.22070	1.9
295.16943	2.6
295.20865	2.4
295.24240	45.1
295.29788	30.9
296.12750	1.9
296.24429	5.2
296.30154	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	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	12.8
54.09222	1.2
55.01853	4.6
55.05503	20.5
57.03420	2.7
57.07056	5.2
57.07344	1.0
59.04977	1.8
67.05496	48.5
69.03413	2.2
69.07057	33.1
71.04972	2.1
71.08610	3.9
71.79128	1.9
75.48877	1.1
79.05482	28.9
81.03407	56.0
81.07044	43.1
82.07347	1.6
83.04960	12.6
83.08612	7.4
85.06535	2.3
85.10162	2.4
91.05462	18.8
93.07030	30.7
95.04956	34.1
95.08585	16.4
96.05315	1.3
97.06516	4.1
97.10158	7.7
99.08073	3.1
99.47446	1.0
105.07010	16.7
107.07896	1.8
107.08574	22.7
109.06494	9.4
109.10140	15.7
111.08067	3.6
113.09601	2.1
117.06980	2.9
119.08551	11.0
121.06507	1.4
121.10114	8.0
123.08051	2.3
123.11677	6.8
125.09634	5.9
129.06993	2.4
131.08531	4.6
133.10110	16.0
135.08054	3.6
135.11649	8.3
137.09573	1.8
137.13226	2.1
143.08562	2.1
145.10094	3.5
147.07924	1.4
147.11649	11.6
149.09500	2.0
149.13214	6.5
151.11165	41.7
153.09068	4.5
157.10141	2.6
159.11688	1.8
161.09561	1.9
161.13200	10.7
163.14781	4.5
165.12741	11.0
171.10231	2.5
171.11667	3.5
173.13196	2.8
175.11188	1.9
175.14803	4.8
177.16185	1.4
179.14244	4.8
185.13196	1.3
188.68532	1.4
189.12759	3.1
199.14937	2.0
207.13756	4.6
213.16493	1.3
217.19579	3.3
221.15263	1.3
231.21039	11.5
241.19447	5.7
249.22144	4.4
257.50769	1.4
259.20581	6.8
277.21579	100.0
278.21927	8.5
279.23120	1.6
295.17221	1.9
295.22729	2.8
301.14728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	3.7
55.01864	2.9
55.05501	23.2
57.03426	2.8
57.07055	8.4
67.05494	53.3
69.07047	17.5
69.52061	3.4
69.52466	17.7
71.04977	2.5
71.08240	2.8
71.08620	40.9
79.05479	42.0
81.03392	6.9
81.07043	54.4
83.04970	7.3
83.08599	15.0
91.05468	27.3
93.07030	65.3
95.04960	7.5
95.08591	40.1
97.06499	10.1
97.10155	8.8
99.08078	34.4
105.07035	15.4
107.04950	5.5
107.08574	30.9
109.06494	2.6
109.10134	22.2
111.08083	2.3
113.09625	2.6
116.48188	1.9
117.07055	2.6
119.08555	14.0
121.10124	31.1
123.11707	3.4
125.09615	5.2
131.08536	5.1
133.10098	12.1
135.11670	39.1
137.09581	3.3
139.11200	2.1
141.09097	5.5
145.10115	2.9
147.11665	4.6
149.13261	14.3
151.11143	14.5
153.12747	4.2
159.11742	3.2
161.13251	11.4
163.11179	6.1
163.14839	3.6
167.10577	3.4
171.11745	3.0
177.12756	5.4
179.14285	100.0
180.14661	4.5
185.13280	3.2
189.11163	3.8
189.12790	3.2
195.13783	3.6
199.29419	2.1
221.15341	4.8
233.22575	3.4
235.16844	4.9
259.20596	4.1
261.22037	3.0
277.21558	56.8
278.21899	4.3
279.22964	2.4
295.23987	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03927	4.0
55.01867	21.0
55.05504	54.2
57.03419	5.7
57.07053	9.7
57.14469	2.4
65.03919	3.6
67.05495	82.0
69.03408	8.2
69.07056	31.5
69.62151	22.1
71.04970	7.9
71.08622	42.2
79.05484	51.7
81.03416	13.4
81.07046	83.6
83.04969	24.3
83.08611	39.2
85.06534	8.3
85.10163	5.4
91.05465	40.2
93.07031	62.2
95.04967	17.5
95.08593	56.5
96.08884	2.9
97.06522	16.6
97.10140	25.5
99.08086	33.9
101.53534	2.2
105.07010	35.8
107.04937	6.1
107.08577	45.0
107.09245	4.6
109.06490	8.7
109.10151	22.8
111.08069	36.4
113.09626	5.8
117.06995	8.6
119.08582	21.0
121.10140	21.5
123.08018	4.3
123.11687	8.5
125.09603	25.6
129.06995	5.9
131.08531	10.8
133.06476	5.7
133.10126	32.5
135.07999	6.4
135.11700	21.9
137.09543	5.0
137.13107	3.3
139.11153	8.7
141.86462	2.5
143.08557	5.0
145.10109	9.3
147.04385	3.0
147.11702	13.2
149.09558	8.5
149.13269	20.0
151.11160	31.4
153.09189	2.5
154.68881	2.3
156.80286	2.6
157.10120	9.4
159.11653	10.0
161.13228	19.4
163.11176	13.5
163.14807	2.6
165.12749	13.3
171.10225	4.1
171.11661	7.2
173.13232	4.8
175.11107	4.1
175.14793	7.8
177.12738	6.1
179.14290	9.8
181.12245	3.7
185.13232	4.0
189.11156	23.1
189.12662	3.7
193.12202	3.6
195.13763	7.2
199.14690	4.2
207.13818	4.6
221.15323	5.2
231.21025	4.3
241.19447	8.2
249.22113	4.3
259.20572	14.5
277.21597	100.0
277.24615	5.2
278.21951	9.3
295.22607	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48819	0.5
55.05263	0.6
55.05506	6.7
56.96544	1.3
60.05635	2.7
69.03416	1.0
70.06583	1.6
70.84438	1.6
72.08146	11.1
78.77358	0.5
82.02776	0.4
84.04473	0.6
84.08138	0.5
85.02901	0.6
87.47975	0.4
89.10784	0.9
91.05449	1.4
96.08136	0.7
97.02821	0.6
97.07637	4.8
98.06042	29.4
98.97562	0.6
113.10755	3.1
113.42393	0.4
114.09149	5.1
114.10274	21.7
115.08676	18.4
116.98607	0.6
119.04929	6.2
120.08093	4.7
121.06477	3.7
122.06013	1.0
131.12894	1.5
134.07143	1.6
140.08188	0.8
147.04390	73.7
148.04776	2.4
148.05862	0.6
156.11285	2.6
157.10831	62.0
158.11212	1.1
158.99608	0.6
162.96803	0.5
173.13968	4.5
174.96884	0.6
176.10756	0.8
186.96848	0.6
206.09247	1.8
217.13358	8.0
218.11739	7.4
218.13693	0.7
235.14417	0.8
260.13937	11.6
261.14386	0.8
265.04855	0.6
277.11859	0.7
277.16562	12.8
278.17029	0.7
295.17621	100.0
296.17987	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	295.2262
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03919	6.7
55.01856	7.6
55.05503	56.9
55.87322	2.8
56.96557	7.0
57.03422	4.4
57.07050	15.1
59.04985	3.2
67.05492	99.8
69.03402	8.1
69.07056	39.2
70.31977	12.7
71.04985	6.5
71.08619	53.4
75.41055	2.8
79.05478	48.6
81.03405	21.9
81.06597	6.1
81.07043	78.3
83.04971	19.3
83.08605	27.3
85.02892	5.4
85.06524	7.9
85.53449	3.1
91.05462	33.1
93.07027	66.7
95.04950	23.5
95.08585	47.3
97.06511	14.0
97.10150	38.6
99.08073	45.6
105.07017	31.7
107.04890	5.3
107.08574	45.6
109.06489	11.1
109.10126	29.1
111.08041	7.7
111.16119	3.3
117.06982	9.3
119.08594	21.7
121.06458	6.0
121.10108	23.4
123.08099	7.3
123.11686	6.4
125.09614	27.2
129.06941	4.6
130.07864	3.0
131.08516	8.8
133.06415	3.4
133.10094	22.2
135.08060	7.4
135.11671	26.5
137.09589	7.4
143.08531	6.3
145.10085	15.3
147.11685	17.7
149.13249	13.4
151.11140	38.0
153.09102	4.4
157.10066	8.0
159.11674	6.4
161.13248	28.0
163.11157	19.6
165.12700	8.6
171.11639	8.6
173.13243	8.5
175.11182	6.4
175.14856	6.5
179.14276	19.1
185.09712	3.5
185.13264	5.9
189.11234	30.8
189.12827	4.8
199.14804	7.2
200.70956	3.0
203.14326	4.0
207.13895	3.2
211.14819	3.4
221.15350	3.4
231.21005	5.1
235.16760	3.7
241.19467	6.9
249.21986	4.6
259.20590	15.5
277.21561	100.0
278.21832	8.3
295.13727	4.2
295.17163	5.7
295.22781	17.6
295.86441	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1533
Annotation	40321-99-1
Peak:m/z	Relative Intensity
51.02381	0.5
54.65808	0.5
55.05503	5.6
57.03424	0.8
57.07067	18.6
65.03944	0.8
67.05491	1.9
69.03407	1.5
69.07044	2.1
71.08616	0.5
71.79663	1.0
73.02908	0.7
73.06537	1.8
79.05466	1.9
81.07045	4.5
82.91596	0.6
83.04900	0.6
84.84913	0.5
85.02876	1.2
85.06519	0.8
91.05463	2.1
93.03377	0.7
93.07025	2.2
95.04980	0.9
95.08610	3.2
105.06976	2.6
107.08585	1.8
109.06522	0.7
109.10116	1.9
111.04380	0.7
117.06976	0.7
119.08548	1.9
121.02858	3.7
121.03614	0.6
121.10132	1.7
123.08023	0.6
123.11685	1.4
129.06963	1.0
131.08563	0.9
133.06400	0.8
133.10135	0.9
135.11697	1.3
137.13307	0.6
143.08492	0.9
145.10115	1.5
147.04366	0.8
147.11607	0.9
149.02318	100.0
149.09682	0.7
149.13167	0.9
150.02673	1.2
157.10078	1.4
161.05803	0.6
167.03409	1.8
167.97154	0.5
169.10117	1.1
171.11642	0.7
173.13242	1.1
175.07509	2.4
183.11693	0.9
185.13251	0.8
187.14780	0.8
190.04929	0.8
192.51279	0.6
197.13168	0.7
199.14735	0.9
203.07002	7.3
205.08557	1.3
211.14806	1.2
225.16313	0.9
235.14760	0.7
277.14301	4.0
295.20547	4.1
295.24124	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	295.1285
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
50.94790	0.3
52.12440	0.4
53.03925	0.4
55.01854	0.5
55.05490	0.5
56.05017	1.4
57.03420	0.8
57.07054	0.6
60.04519	0.5
60.05624	0.4
67.05489	0.4
69.03407	1.5
69.07050	1.4
70.06577	2.2
71.04957	0.4
71.78715	0.5
72.08154	3.2
74.06070	0.5
79.05477	1.3
79.31605	0.4
79.59183	0.4
81.03405	0.9
81.07052	1.4
84.04492	34.5
84.08135	2.5
85.02885	1.8
85.04823	0.4
86.09695	6.0
88.03972	1.1
91.05464	7.0
93.07015	1.4
94.06564	1.3
95.04959	0.8
95.08582	1.1
97.02883	0.8
98.06077	0.5
99.08099	0.5
102.05550	0.9
103.05452	6.8
105.06991	1.0
107.04945	3.0
107.08578	0.5
109.02859	1.0
109.06507	0.7
109.10114	0.6
110.07162	0.3
114.09135	1.9
114.10302	1.1
115.05439	0.5
115.08690	0.5
115.09473	0.8
115.10619	0.6
116.07077	0.7
117.06986	0.7
117.09093	0.5
118.06495	0.6
119.04932	4.9
120.08086	100.0
121.06481	1.2
121.08443	2.4
123.04425	0.5
123.06570	0.4
123.11702	0.5
124.07629	0.5
124.24335	0.4
127.03882	0.6
129.10226	0.9
130.04987	6.4
130.08583	0.6
131.04898	4.9
131.12872	0.7
132.10164	1.2
132.95833	1.0
133.06418	0.6
133.10141	0.5
135.04402	0.5
136.07556	28.2
137.05957	0.8
139.03842	0.4
141.05536	0.4
143.08580	0.5
144.95795	0.4
146.05994	2.1
147.04393	1.3
149.05989	2.2
150.07726	14.2
150.96852	0.8
151.03909	1.0
151.07458	1.8
153.06654	0.4
160.09593	0.4
161.05974	0.8
162.96921	0.7
163.03902	1.7
163.07509	0.5
164.04224	1.7
165.04364	1.9
166.08618	45.3
167.08939	0.9
173.05904	0.5
174.05440	0.7
174.96915	1.2
175.07671	0.6
186.09103	8.1
186.96844	0.8
187.07471	0.6
188.24208	0.4
201.05367	0.4
207.07990	0.5
216.98105	0.4
217.08646	0.7
217.91779	0.4
231.06349	0.6
232.09676	5.7
234.98981	0.7
235.07681	0.6
235.13376	0.4
249.16039	1.0
252.99925	0.4
261.15466	0.4
267.10300	0.5
277.11716	1.1
277.14706	0.4
278.10239	4.7
278.13831	1.1
295.09567	1.0
295.12915	8.8
295.16638	6.2
296.18188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48310	1.1
53.03932	1.9
55.01842	1.8
55.05263	1.5
55.05505	23.2
56.05821	1.1
57.03415	3.2
57.06829	1.4
57.07071	17.1
59.04999	1.1
62.46254	1.1
63.30326	1.2
65.03922	1.4
67.05495	28.7
69.03411	4.0
69.06681	2.5
69.07057	51.7
70.07385	1.3
71.01330	1.4
71.04981	9.9
71.08624	8.6
73.06517	1.1
75.04454	2.1
77.25567	0.9
79.05485	12.2
79.13851	1.1
81.07044	100.0
83.04980	8.6
83.08609	35.6
85.02893	18.3
85.06532	14.6
85.10181	1.8
87.04479	1.1
91.05466	6.2
93.07029	20.2
95.04935	3.1
95.08593	90.8
96.08895	1.4
97.06515	3.0
97.10151	18.7
99.04430	1.1
99.08085	9.2
105.07018	2.7
107.08574	28.0
109.06522	1.2
109.10142	54.4
111.04420	4.4
111.08060	8.4
111.11699	12.9
113.06004	1.6
113.09614	2.5
114.10239	1.2
119.04929	4.0
119.08559	3.1
121.10134	14.6
123.11690	42.3
125.09592	3.4
125.13280	6.1
127.11174	1.7
129.05461	7.0
133.10094	1.3
135.11685	7.1
137.13234	42.7
139.11156	3.0
139.14760	1.5
143.14189	1.0
145.10146	1.3
147.04384	14.1
147.06477	2.6
149.13232	25.5
151.14838	7.3
153.05426	2.9
153.12691	3.6
155.14296	1.9
163.03882	4.1
163.14871	8.2
165.09053	1.2
165.16365	4.3
167.14281	14.8
171.06509	1.2
177.16452	1.3
179.17924	3.2
191.17805	1.1
193.19556	3.1
205.19543	1.7
219.21118	2.5
221.07971	2.8
223.20561	1.6
237.22197	1.8
239.09167	1.2
249.25786	2.7
275.11127	1.6
275.19879	1.5
275.27371	8.9
293.16251	1.5
293.28336	61.5
294.28790	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2832
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03925	1.3
55.05503	16.9
55.64480	1.1
57.07066	15.0
58.50313	1.0
59.05001	1.1
59.82804	1.1
65.89171	1.1
66.55148	1.1
67.05492	22.5
69.03386	1.4
69.07056	42.3
71.04968	1.4
71.08611	6.5
79.05482	7.9
81.07040	88.9
83.08602	27.9
85.02884	3.0
85.06533	10.7
85.10150	2.1
91.05452	1.6
93.07020	15.8
95.08588	100.0
95.83315	1.0
97.06520	2.2
97.10154	16.2
99.08067	6.4
105.07025	1.5
107.08574	19.7
109.10139	51.1
111.08061	6.4
111.11691	10.3
113.09602	3.4
121.10123	10.8
123.11680	36.5
125.09596	1.6
125.13246	6.2
135.11703	7.3
137.13228	52.0
139.11096	1.3
139.14723	2.3
141.12663	1.0
147.04364	3.6
149.13220	19.0
151.14793	6.9
153.12723	1.9
163.03920	1.3
163.14775	5.3
165.16350	2.9
167.14278	7.8
177.16347	3.0
179.17970	3.2
193.19519	1.9
207.21176	1.4
219.20961	1.2
223.20493	1.4
230.05087	1.6
237.22031	1.7
249.25745	2.4
275.27261	7.2
293.28326	53.9
294.28632	2.3
310.31589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2832
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03936	2.9
55.01848	1.4
55.05500	23.8
57.03415	2.7
57.06816	1.9
57.07067	16.9
59.04987	1.4
67.05492	34.8
69.03409	4.0
69.07054	55.2
70.06583	3.7
70.99059	4.3
71.04971	6.0
71.08606	6.8
72.08131	2.7
75.04472	1.4
76.05080	1.5
79.05479	16.1
81.03402	3.1
81.07040	96.3
82.07353	2.7
83.04955	3.5
83.08604	34.0
85.02895	7.1
85.06532	13.3
85.10111	2.2
86.09675	1.3
91.05451	6.8
93.07022	22.9
95.04941	4.1
95.08586	100.0
96.08873	2.3
97.06513	3.5
97.07652	1.3
97.10149	17.3
99.08077	10.4
103.05400	1.5
105.06995	8.1
107.08566	27.9
109.06493	3.8
109.10135	64.4
110.10438	2.4
111.04424	2.9
111.08082	9.2
111.11704	12.9
114.10243	3.6
116.07078	6.8
119.08553	4.6
121.10110	14.3
123.08033	1.8
123.11684	39.8
125.09610	5.1
125.13254	7.9
131.04900	2.5
133.10101	4.2
135.08102	1.8
135.11678	8.9
137.13234	42.3
137.14294	2.9
139.11133	1.9
145.02750	1.8
147.04382	7.1
147.06458	2.3
149.09624	1.6
149.13228	27.2
151.14807	10.1
153.12718	2.5
161.13162	2.1
163.03862	13.0
163.14789	6.2
165.16371	3.0
167.14275	8.8
169.15840	2.2
177.05400	1.7
177.16364	3.9
179.14252	2.0
179.17908	3.1
191.17886	2.5
192.13745	4.3
196.13255	11.4
203.06799	1.9
205.19341	1.9
205.61621	1.4
219.21048	2.9
221.08083	2.9
237.21959	2.0
249.25763	2.6
275.20029	4.5
275.27176	6.8
292.67282	1.6
293.16013	6.6
293.28311	58.1
294.16879	2.3
294.20563	8.8
294.28857	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	293.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.3
55.05267	1.5
55.05502	20.5
57.07063	13.3
60.32901	1.2
67.05492	28.8
69.03412	2.0
69.07056	48.6
69.60702	11.3
71.04972	3.1
71.08608	4.2
76.39368	1.2
78.69606	1.3
79.05485	8.6
81.07040	78.5
82.07343	2.2
83.04943	2.4
83.08607	25.4
85.02874	3.0
85.06535	11.9
85.10132	2.4
91.05476	3.1
93.07031	12.0
95.08590	100.0
96.08925	1.6
97.10160	16.6
99.08067	10.5
107.08569	10.4
108.94445	1.2
109.10139	65.6
110.10435	1.3
111.08053	4.0
111.11691	13.6
113.09614	2.3
113.25248	1.3
114.10279	1.6
115.47776	1.1
116.34727	1.2
119.04920	1.4
119.08530	1.7
121.10114	9.2
123.11678	35.9
124.12041	1.7
125.09620	1.9
125.13219	7.6
127.11152	1.6
134.52821	1.5
135.11679	5.7
137.12215	2.7
137.13228	31.8
139.14864	1.8
147.04372	8.5
149.13266	8.6
151.14839	7.7
163.03883	3.4
163.14723	5.8
165.16333	6.1
167.14307	1.9
169.15889	2.0
177.16425	2.5
179.17941	4.0
186.20738	1.3
191.17918	1.6
193.19604	3.0
205.19504	1.7
211.20674	1.4
219.66719	1.2
221.08032	1.9
249.25691	1.5
265.44070	1.2
275.27255	3.4
292.68973	1.3
293.16022	3.4
293.28305	42.1
294.28537	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03929	3.4
55.01864	25.6
55.05502	49.3
57.03418	3.0
59.04984	2.9
67.05489	42.5
69.03417	4.0
69.07063	14.4
69.58973	14.7
69.59400	7.3
71.04990	4.2
76.51845	2.2
79.05482	86.6
81.07047	39.4
83.04961	20.2
83.08612	18.1
91.05458	29.7
93.06481	4.4
93.07035	47.4
95.04967	8.9
95.08596	19.5
97.06519	39.0
97.10145	19.5
105.07016	34.1
107.04934	38.3
107.08575	57.2
109.06510	6.9
109.10133	16.0
111.08076	3.8
117.07018	10.0
119.08559	23.7
121.10125	16.2
123.11693	6.2
124.55077	2.5
125.09595	24.9
127.23187	2.6
131.08533	18.9
133.10106	24.5
135.08017	6.3
135.11690	5.8
145.10104	9.2
147.11664	19.1
149.09596	71.3
149.13309	4.6
153.09061	2.5
159.11678	9.7
161.13261	6.2
163.03918	6.9
163.11108	3.3
163.14764	3.4
169.10069	2.4
169.12175	4.7
171.10255	2.9
173.11775	4.3
173.13257	5.9
179.14398	3.0
183.11655	3.1
187.13358	3.1
189.11220	13.2
191.14400	3.0
197.13239	3.1
209.15392	6.9
215.17859	2.7
229.19403	12.1
247.20566	5.4
257.18918	19.4
275.20010	100.0
276.20328	4.3
293.21106	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03926	4.8
55.01857	11.2
55.05502	25.4
57.03424	8.2
57.07071	3.3
65.03934	1.6
66.04173	1.2
67.05492	40.3
69.03417	8.4
69.07055	25.5
70.98418	2.1
70.98763	2.8
71.01338	3.5
71.04977	16.3
75.04470	3.0
79.05476	39.8
81.03401	8.0
81.07040	59.5
82.07366	1.2
83.04961	19.1
83.08602	15.1
85.02892	35.9
85.06522	3.4
87.04448	1.3
91.05463	32.7
93.07026	31.4
95.04965	14.8
95.08593	32.8
97.02910	1.4
97.06513	17.0
97.10144	13.2
99.04447	2.7
99.08071	2.4
105.07008	28.2
106.07290	1.2
107.04934	11.6
107.08572	51.0
109.02853	2.8
109.06487	11.9
109.10138	18.8
111.04432	12.4
111.08061	3.6
113.05973	2.1
114.10268	2.1
114.26164	1.4
117.07011	10.2
119.04929	6.0
119.08572	21.0
121.06445	5.7
121.10130	16.8
123.08031	6.6
123.11679	7.8
125.09605	14.5
129.05450	10.2
129.06978	3.3
131.04898	1.3
131.08534	12.0
133.10101	23.4
135.04478	1.7
135.08023	8.2
135.11629	7.7
137.09590	6.1
137.13216	2.4
139.11171	2.3
143.08540	3.0
145.06467	1.5
145.10089	15.2
147.04385	24.7
147.06471	3.7
147.08014	3.6
147.11681	13.2
149.09589	14.2
149.13235	4.2
151.11169	4.1
153.05457	7.6
155.08548	2.0
157.10121	4.0
159.11684	9.4
161.09526	2.3
161.13255	6.3
163.03868	7.1
163.11118	9.1
163.14867	1.6
165.09090	3.8
165.12704	2.3
169.10229	3.0
171.06549	2.3
171.10237	1.5
171.11653	2.7
173.09572	1.4
173.11859	1.5
173.13210	5.9
175.11205	1.3
177.12758	3.5
179.14342	2.0
181.12148	2.0
183.06535	1.2
183.11681	3.1
185.13290	2.1
187.11122	2.1
187.14742	2.0
189.11195	9.6
189.12663	1.6
191.14272	1.7
193.12189	1.7
197.13322	1.8
199.14798	1.5
201.07558	2.2
201.12744	2.1
203.12634	1.7
211.14818	1.3
215.14334	1.9
215.17970	1.9
221.08115	3.6
222.80911	1.1
229.19476	4.6
233.18887	1.7
239.09105	2.8
239.17863	6.2
247.20522	5.6
249.18417	2.0
257.10129	2.9
257.18994	14.9
275.20023	100.0
276.20270	3.3
286.13153	1.5
293.12396	1.3
293.16101	5.5
293.21066	32.9
293.28317	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	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03940	27.3
55.01864	14.5
55.05504	22.4
56.17545	2.4
57.07071	4.9
67.05494	57.8
69.03406	3.2
69.07059	41.8
70.97437	7.8
71.04969	2.9
79.05488	42.8
81.03415	56.2
81.07047	84.8
83.04976	11.1
83.08599	8.2
87.73864	2.7
91.05478	60.9
93.07037	39.9
95.01340	10.8
95.04967	19.5
95.08592	46.8
97.06513	21.0
97.10163	4.6
103.05473	4.2
105.07018	100.0
107.04933	31.6
107.08588	20.1
109.06544	4.7
109.10157	7.4
111.04479	2.5
111.08101	3.3
115.05383	3.4
117.07001	19.8
119.08568	47.1
120.29382	2.4
120.49556	2.3
121.06487	9.8
121.10149	7.3
123.04481	2.8
123.08070	16.2
125.09682	3.4
129.07037	3.3
131.08527	25.2
133.10110	60.0
135.07974	5.6
135.11670	14.7
141.07010	2.7
143.08560	4.2
145.06459	8.4
145.10129	21.8
147.11681	20.4
149.09631	5.7
149.13249	5.5
151.11163	3.0
157.10114	5.6
159.11652	19.9
161.13274	6.6
163.03867	4.1
164.62628	2.7
169.10136	8.1
173.13289	3.1
177.12749	7.1
179.14294	15.1
186.58992	3.1
187.11147	12.7
190.05258	2.4
195.13824	5.3
197.13379	3.6
205.12163	3.4
221.08086	3.9
237.11165	4.2
241.14368	3.9
257.19003	10.8
261.66879	2.6
275.20026	93.3
293.16174	3.2
293.21030	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03915	4.0
55.01865	6.5
55.05500	15.1
57.03417	2.3
57.07048	2.1
59.04994	0.9
65.03909	2.2
67.05493	29.9
69.03391	3.2
69.07056	14.6
69.89751	7.4
71.04961	4.1
77.36162	1.2
79.05476	33.2
81.03400	6.4
81.07041	100.0
82.07379	1.4
83.04956	5.2
83.08604	9.4
85.02876	2.1
85.06516	2.2
91.05461	22.5
93.07027	18.3
95.04935	10.1
95.08593	17.6
96.45231	1.1
97.06495	6.0
97.10100	2.5
99.08080	1.7
105.07006	20.5
107.04933	9.0
107.08571	14.6
109.06500	38.9
109.10128	9.3
111.04414	2.4
111.08053	3.4
117.06994	6.6
119.04921	6.4
119.08558	18.1
121.06469	3.2
121.10127	10.8
123.08054	9.2
123.11648	3.4
125.09644	2.5
129.06985	2.4
131.08517	9.6
133.06470	1.1
133.10094	16.0
135.08011	4.5
135.11636	4.4
137.09593	3.3
137.13322	1.6
143.08560	2.0
145.10117	9.1
147.04385	28.0
147.08067	1.7
147.11662	12.8
148.04735	1.5
149.09619	8.3
149.13260	6.3
151.11137	4.5
157.10077	3.4
159.07974	1.4
159.11684	7.0
161.09558	1.7
161.13202	4.1
163.03876	4.4
163.11154	7.6
163.14792	2.4
165.12698	4.3
169.10033	1.4
171.11571	1.1
173.09523	1.5
173.13219	3.0
175.11121	2.7
177.12772	1.8
179.14273	1.2
183.11560	1.2
187.11113	1.7
191.14310	1.6
193.12177	3.2
201.12645	1.5
205.15775	1.2
219.17487	1.2
221.07993	3.0
223.13127	1.0
229.19449	3.5
237.14832	1.4
239.17818	2.1
247.20667	4.8
257.18976	6.3
275.20026	57.6
276.20239	1.6
293.09628	1.4
293.15997	2.3
293.21063	29.0
294.21179	1.5
307.68854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
54.16101	1.1
55.01859	3.6
55.05505	9.4
56.92992	1.3
57.07066	2.3
59.17239	1.1
63.02387	1.0
67.05492	20.9
69.03419	3.0
69.07060	20.0
69.54780	3.1
69.55206	9.5
71.04996	1.3
79.05479	13.6
81.07042	25.5
83.04955	6.5
83.08604	4.2
85.06501	1.3
91.05470	14.8
93.07025	20.9
95.04974	5.6
95.08593	14.7
97.06528	4.3
105.07015	20.3
107.04944	6.0
107.08589	15.2
109.06511	6.4
109.10128	8.1
111.08060	1.8
117.07018	5.7
119.04944	2.2
119.08544	12.1
121.06481	9.5
121.10117	6.5
123.08028	3.6
123.11681	3.5
125.09604	1.2
129.07021	1.9
131.08533	10.6
133.06438	2.4
133.10120	13.9
135.08032	3.0
135.11696	3.4
137.09592	1.9
143.08553	2.6
145.10121	9.0
146.85799	1.6
147.04393	14.0
147.08051	2.5
147.11671	10.9
147.94800	1.0
149.09612	4.7
149.13245	2.7
151.11211	5.7
157.10094	2.7
159.11678	3.7
161.09558	3.5
161.13261	2.4
163.03902	1.8
163.11205	4.4
165.12758	1.6
169.10060	1.5
171.11641	2.5
173.09593	2.0
173.13257	3.7
175.11197	2.7
177.12711	1.4
187.38272	1.1
191.14301	2.8
201.12695	2.5
207.13751	3.4
215.14304	1.6
219.13821	4.4
221.08203	1.6
229.19579	1.6
239.18011	4.6
247.20468	2.2
257.18982	13.0
275.20020	100.0
276.20380	3.4
293.10385	1.2
293.17288	1.9
293.20999	36.8
294.21118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03926	4.6
54.47480	1.6
55.01865	19.3
55.05233	1.5
55.05502	30.4
57.07047	1.5
57.15251	1.4
64.95901	1.3
65.03944	1.5
66.21709	1.5
67.05495	30.4
68.25584	1.3
69.03432	1.8
69.07059	20.6
71.04971	4.0
79.05484	44.1
81.03400	6.3
81.07046	33.0
83.04967	5.9
83.08607	17.5
85.06533	2.9
91.05457	31.2
93.06483	3.0
93.07024	26.5
93.76691	1.4
95.04944	7.8
95.08585	22.7
97.06512	28.0
97.10150	19.8
101.65543	1.5
104.91086	1.6
105.06323	2.0
105.07013	36.5
107.04945	11.0
107.08574	89.0
109.06484	5.9
109.10144	11.5
111.08069	2.4
117.06996	7.3
119.04953	1.9
119.08556	24.4
121.06486	5.1
121.10114	9.7
121.32979	1.8
123.08043	4.9
123.11690	4.4
125.09610	23.4
129.06944	1.7
131.08539	14.1
133.06503	1.5
133.10100	26.9
135.08034	5.1
135.11708	7.1
137.05968	11.5
137.09581	4.0
141.06956	2.1
143.08551	2.2
145.10068	17.2
147.04385	12.5
147.11639	16.9
149.09602	19.6
149.13263	2.8
151.11150	4.7
153.09044	2.7
155.08542	2.7
157.10153	3.3
159.11702	10.9
161.09572	1.9
161.13225	6.7
163.11154	6.8
163.14754	2.0
165.09068	3.1
169.10081	2.0
171.11699	4.4
173.11819	1.5
173.13187	3.6
175.11032	3.0
177.12732	2.5
181.12242	2.1
183.11652	3.3
187.11185	3.4
189.11186	14.5
195.13762	2.3
197.13203	2.3
221.08055	2.0
223.13026	2.1
229.19476	3.8
229.52812	1.7
239.17891	5.3
247.20557	4.1
257.18945	13.6
272.05249	1.9
275.20020	100.0
276.20380	6.2
293.21033	19.7
305.11954	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	1.8
55.01855	2.3
55.05501	8.3
57.03413	1.7
57.07069	3.7
65.03923	1.2
67.05493	8.6
69.03416	10.6
69.07056	4.5
69.89616	3.4
71.01328	2.2
71.04979	4.0
72.99173	0.5
75.04473	0.6
76.65515	0.5
79.05479	8.3
81.03407	3.0
81.07040	8.0
83.04959	9.8
83.08603	3.9
85.02891	9.5
87.04473	0.5
91.05458	13.7
93.07027	7.4
95.04951	10.4
95.08578	4.7
97.06502	3.4
97.10147	3.3
98.01244	0.6
99.04419	1.0
103.05483	0.6
105.07013	7.0
107.04930	3.3
107.07896	0.9
107.08572	13.2
107.09232	1.0
109.02845	0.6
109.06503	1.4
109.10141	2.6
111.04425	8.8
111.08035	1.1
113.05959	0.8
117.07000	2.9
119.04919	22.7
119.08555	4.7
120.05217	0.8
121.06459	1.4
121.10122	2.9
123.08031	1.2
123.11692	0.6
125.05964	0.7
125.09621	3.2
129.05452	4.7
129.06953	0.7
131.08521	3.5
133.10098	5.9
135.04420	0.8
135.07007	0.5
135.08015	1.7
135.11662	1.9
137.05960	0.9
137.09613	1.1
143.08437	0.7
145.10094	3.9
147.04381	100.0
147.11656	3.5
148.04744	4.4
149.09592	6.2
149.13258	0.6
151.11090	0.7
153.05476	2.7
157.10175	0.7
159.11668	2.2
161.09598	0.6
161.13271	0.8
163.03865	1.6
163.11206	5.3
165.05435	1.1
165.09189	0.6
169.10057	0.8
171.06516	0.8
173.13222	0.8
175.14679	0.5
177.12701	1.4
181.04913	1.6
181.12152	0.6
183.11526	0.6
185.13258	0.8
187.11133	1.3
189.11195	3.1
191.10651	1.9
195.10065	0.9
201.07602	0.6
203.44679	0.5
205.12260	1.0
207.78517	0.5
209.11673	5.1
211.99396	0.6
219.10042	1.0
221.08102	1.9
221.15359	0.7
223.13242	5.4
229.19489	0.7
237.11203	8.6
239.17996	0.8
247.20549	1.2
257.19022	2.2
265.18076	0.5
269.14200	0.5
275.20023	18.8
275.22989	1.2
293.10092	4.2
293.18527	0.5
293.21048	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	2.7
55.01855	6.0
55.05503	16.0
55.59501	1.9
57.03425	25.7
60.59549	2.0
67.05490	21.2
69.07046	11.4
71.04969	9.0
71.05326	2.2
71.24111	3.5
71.24438	3.8
75.04455	2.3
75.98197	1.9
76.81204	1.9
79.05021	2.3
79.05478	42.3
81.07043	33.0
83.04953	5.9
83.08610	9.8
85.02899	14.0
85.06513	7.9
91.05459	43.3
93.07028	54.4
95.04942	9.0
95.08588	26.3
97.06531	10.4
97.10152	3.6
99.04411	3.4
100.17695	2.3
101.06010	2.3
105.07014	40.1
107.04911	2.9
107.08576	40.5
109.06490	9.1
109.10126	7.2
111.04449	3.3
111.08080	2.9
113.06033	2.3
114.30885	2.0
117.06984	13.0
119.04932	4.3
119.08560	35.8
121.06478	4.0
121.10121	14.7
123.08099	3.9
123.11690	2.6
125.09601	3.8
127.07529	3.0
129.05464	4.2
129.06981	6.1
131.08542	17.0
131.25038	2.2
133.10106	25.4
135.08009	3.9
135.11638	3.9
137.09554	5.1
143.08556	8.0
145.10092	17.7
147.04402	9.8
147.08014	2.1
147.11671	19.8
149.09587	11.4
151.11165	3.0
153.05453	2.5
157.10085	5.5
159.11667	20.1
161.09622	3.9
161.13280	10.9
163.11119	2.9
171.11662	2.7
172.14600	1.8
173.13242	6.5
175.11102	3.1
175.14859	2.9
177.05440	4.4
181.12238	2.9
183.11626	4.9
185.13200	23.3
189.11150	2.8
201.16385	6.9
203.07060	3.2
203.14258	19.7
209.15369	2.4
219.17390	39.1
221.08113	3.0
221.15352	29.8
233.11687	5.7
239.17897	7.6
257.19046	23.5
275.20004	100.0
276.20432	2.7
293.20929	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	2.3
54.84451	0.8
55.01855	6.6
55.05502	23.7
57.07045	1.7
61.58995	0.8
65.03925	2.0
67.05493	17.1
69.03066	1.1
69.03417	7.6
69.07066	8.7
70.22852	5.4
71.01338	1.2
71.04983	2.3
79.05480	44.3
80.05843	0.9
81.03388	2.3
81.07040	18.7
83.04959	8.0
83.08600	15.5
85.02874	3.0
85.06523	1.4
91.04910	1.7
91.05466	30.9
93.07024	17.0
95.04941	4.1
95.08595	11.5
97.06503	7.2
97.10157	20.6
105.07019	27.0
107.04945	5.6
107.08575	100.0
108.08907	2.1
109.06513	5.8
109.10150	6.9
109.20825	0.9
111.04429	2.6
111.08080	1.7
111.95687	1.0
117.07011	5.2
119.04928	12.0
119.05770	1.3
119.08572	14.2
120.08762	0.8
121.06454	0.9
121.10112	5.5
123.08018	1.5
123.11690	2.2
125.09617	15.9
129.05452	1.7
129.06967	1.3
131.08528	7.1
133.10109	14.4
135.07996	4.1
135.11658	3.9
143.08478	1.5
143.10576	1.6
145.10095	12.4
147.04382	55.7
147.11632	10.4
147.12543	1.0
148.04721	3.2
149.09595	10.2
149.13179	1.5
151.11203	1.0
153.09009	2.5
153.12694	1.6
155.08600	1.4
157.10112	2.0
159.11682	5.7
160.43407	0.9
161.09637	1.5
161.13177	2.9
163.03864	2.4
163.11226	2.1
171.10161	1.1
171.11610	1.9
173.11804	1.2
173.13248	2.5
177.12666	2.0
180.63246	1.0
181.12154	2.4
183.11674	2.1
185.13103	0.9
189.11186	18.5
197.13176	1.9
205.11990	1.3
221.08020	3.1
229.19514	1.7
233.51591	1.0
239.17911	4.4
247.20506	1.0
257.18896	9.9
275.20023	78.0
276.20349	2.8
293.10181	2.7
293.15985	2.0
293.21054	8.9
293.28085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49593	0.4
55.05477	0.4
58.24422	0.4
58.83084	0.5
60.05645	2.9
65.18996	0.4
70.06561	0.5
71.28745	0.9
72.08144	16.8
89.03921	2.1
89.10763	1.8
89.62098	0.4
93.84433	0.4
97.07646	2.9
98.05998	0.5
107.04931	1.5
114.10274	27.7
114.41749	0.4
115.08646	2.5
115.10598	0.5
117.03344	5.2
124.30476	0.4
131.12915	5.7
135.03337	0.5
135.04391	11.6
145.02831	13.2
157.10751	0.6
163.03879	100.0
164.04218	1.9
178.75298	0.4
198.07092	0.5
233.12845	4.5
234.11267	4.7
250.77481	0.5
251.13834	0.9
276.13431	8.8
293.16028	74.7
294.16370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	5.2
55.01859	14.6
55.05259	2.5
55.05502	27.5
57.03423	11.3
57.07056	5.7
65.03919	2.2
67.05496	39.0
67.44655	1.3
69.03413	9.8
69.07062	31.5
70.84720	4.6
71.01334	3.4
71.04980	25.1
71.08614	2.5
73.02907	2.7
75.04454	5.9
79.05483	45.1
81.03409	8.6
81.07042	50.5
83.04972	23.5
83.08604	18.9
85.02893	61.3
85.06515	4.2
87.04439	2.6
91.05466	33.7
93.07027	30.8
95.04958	15.7
95.08596	38.4
97.02876	2.5
97.06516	26.2
97.10148	17.0
99.04434	5.5
105.07014	35.7
107.04946	9.0
107.08578	69.7
109.02882	2.8
109.06499	11.2
109.10136	18.8
111.04414	16.8
111.08054	3.9
113.06004	4.7
114.10238	3.0
117.07005	7.7
119.04932	12.6
119.08555	22.9
121.06470	6.9
121.10123	13.9
123.08031	8.3
123.11728	8.8
125.09607	11.9
127.03938	1.7
129.05466	17.2
129.06929	3.0
131.08537	14.9
133.06461	2.5
133.10123	25.4
135.08038	6.2
135.11649	9.8
137.09578	4.5
137.13213	4.0
143.08519	2.6
145.06447	2.3
145.10117	12.2
147.04395	52.8
147.06474	6.6
147.08057	2.2
147.11667	12.3
148.04692	3.4
149.09590	16.3
149.13283	8.1
151.11165	4.2
153.05443	11.5
157.04984	2.5
157.10057	3.7
159.11679	11.6
161.13240	3.5
163.03911	6.4
163.11183	9.1
163.14870	2.5
165.09100	4.7
169.10120	3.6
171.06534	5.4
171.11624	3.2
173.11858	1.8
173.13260	6.0
175.11195	2.1
177.12700	3.2
183.06477	2.5
183.11670	3.4
185.13078	1.7
187.11139	4.0
189.11176	10.9
193.16095	1.7
197.13295	3.4
201.07428	3.4
205.12212	2.1
221.08067	6.6
229.19504	3.0
239.09123	4.5
239.17931	5.5
247.20595	7.8
257.10175	4.2
257.18954	15.8
275.11298	3.7
275.20029	100.0
275.27179	4.2
276.20340	5.9
293.12900	2.3
293.16125	3.5
293.20743	16.7
293.28156	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	293.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05642	2.0
61.54670	0.3
70.73223	0.3
71.57639	0.4
72.07755	0.5
72.08144	9.3
76.05982	0.3
89.03886	1.9
89.10779	1.2
91.27308	0.3
97.07652	2.3
98.06033	0.6
107.04911	1.0
114.10278	18.7
115.08680	3.2
117.03352	3.7
131.12914	2.1
135.04393	9.2
144.32956	0.4
145.02835	11.0
147.04367	0.4
157.10818	0.5
163.03880	100.0
164.04230	1.4
177.05415	0.5
233.12801	6.1
234.11217	5.9
251.13956	0.6
265.15475	0.5
276.13397	8.1
293.16031	68.6
294.16342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.29503	0.5
55.01860	0.9
55.02969	0.5
55.05486	0.6
57.03426	2.7
57.07069	6.0
59.87157	0.5
60.05637	4.0
61.02918	3.6
61.72488	0.5
62.34708	0.5
66.94299	0.5
67.05495	8.5
69.03422	8.6
69.07053	1.8
70.06586	3.9
71.01337	0.9
71.04980	3.5
71.31718	1.5
72.07754	1.1
72.08144	16.7
72.89210	0.4
73.02898	1.7
79.05461	1.1
81.03404	3.4
81.07016	0.5
83.06087	1.1
84.04505	1.3
84.08125	1.9
85.02893	45.0
85.06528	3.7
86.03229	0.8
86.09697	1.0
87.04468	0.9
87.48430	0.5
89.03879	2.9
89.10772	1.4
91.03926	2.1
91.05499	0.8
93.07025	0.6
95.04957	13.5
95.08577	0.6
96.08077	0.9
97.02878	9.2
97.06534	1.0
97.07648	3.1
97.08179	0.4
98.06012	1.2
98.97559	1.1
99.04428	2.0
103.03913	1.1
105.06987	0.8
106.96359	0.6
107.04916	3.1
109.02868	4.4
113.02435	0.6
113.05994	27.0
114.06344	0.6
114.09204	2.9
114.10275	22.8
115.03954	0.6
115.08672	3.1
116.98629	1.2
117.03362	5.3
119.04942	1.0
119.40695	0.5
120.08086	1.5
127.03896	10.5
128.05266	0.7
130.04993	1.1
130.08617	2.6
131.04924	1.8
131.07024	63.0
131.12901	5.6
135.04391	11.3
136.07640	0.6
139.03897	0.6
145.02849	11.5
145.04927	11.3
147.04384	2.4
147.11176	0.6
148.04820	0.7
149.08096	0.5
159.02885	1.3
160.09627	1.8
163.03882	100.0
164.04277	0.9
166.08571	0.7
173.13977	1.3
177.05507	0.7
219.04976	1.3
221.08058	2.6
231.13411	0.6
233.12840	5.1
234.11218	5.4
275.12735	0.8
276.13416	9.8
277.11627	1.2
292.67297	1.0
293.16019	71.3
294.10114	0.8
294.13284	1.9
294.16306	1.4
307.03067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22593	1.2
53.03925	1.7
55.01863	3.6
55.05501	9.7
57.03427	10.7
57.07055	2.3
57.89503	1.2
59.04983	1.6
61.02901	1.5
64.16367	1.0
67.05490	9.1
69.03413	12.1
69.07061	5.4
69.97646	1.2
71.01337	6.3
71.04603	2.1
71.04983	35.3
71.08643	1.6
71.79564	2.2
72.08134	1.8
72.76002	1.1
73.02901	3.4
75.04472	9.3
75.86652	1.2
76.40118	1.0
79.05475	5.2
79.46342	1.1
81.03388	3.1
81.07047	8.7
83.01315	1.0
83.04968	27.3
83.08596	1.6
85.02891	100.0
85.78542	1.0
86.03234	1.2
87.04443	3.5
91.05478	7.8
93.07030	4.6
95.04958	9.1
95.08585	7.0
97.02887	2.6
97.06512	5.0
97.10173	1.3
99.04433	5.2
101.06010	3.4
105.07001	4.9
107.04919	3.1
107.08591	5.0
109.02859	5.1
109.06495	3.8
109.10140	3.6
111.04421	28.6
113.05978	5.6
114.10300	2.8
117.05460	1.9
117.06925	1.6
119.04924	11.7
119.08588	3.5
121.06517	4.0
121.10091	3.4
123.04421	2.7
123.08040	3.6
123.91263	1.0
125.05901	1.9
127.03887	3.0
129.05458	31.7
131.08527	1.9
133.10085	3.5
135.04388	2.3
135.08018	1.2
137.05940	1.7
139.03867	1.2
139.07513	1.1
145.02831	1.5
145.10130	2.9
147.04393	52.7
147.06413	11.4
147.11644	1.7
148.04700	1.7
149.09592	2.9
151.07475	1.7
151.11192	2.1
153.05421	15.3
157.05009	2.3
159.06516	2.2
161.13184	1.8
161.40973	1.1
163.03877	10.2
163.11205	1.3
165.05333	1.7
165.09142	1.6
169.10135	1.4
171.06494	8.9
173.13066	1.3
183.06528	2.1
193.08653	2.2
195.06459	1.7
201.07605	7.3
203.06902	1.8
213.07497	2.1
221.08018	10.6
233.08090	2.1
237.11115	1.5
239.09074	11.1
257.10037	3.5
257.18964	1.6
258.30988	1.0
275.10919	6.0
275.20010	7.4
293.09702	2.1
293.12933	1.8
293.16391	6.3
293.21091	26.5
300.34988	1.1
313.35406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28874	1.0
55.01865	2.1
55.05503	11.0
57.03424	13.8
59.04985	2.4
61.02905	1.8
65.03946	0.9
67.05492	5.3
69.03417	13.4
69.07043	3.9
70.92261	2.1
70.92636	2.0
71.01344	5.6
71.04980	38.1
72.08118	1.2
73.02901	5.4
75.04463	11.2
79.05468	5.0
81.03409	2.4
81.07033	7.9
83.04968	31.6
83.08585	1.9
85.02892	96.0
85.06518	2.0
86.03223	1.8
87.04438	3.0
91.05463	14.2
93.07050	5.1
95.04947	7.8
95.08585	5.4
97.02880	2.0
97.06509	4.5
97.10163	1.2
98.98460	1.3
99.04427	4.6
101.05999	3.1
105.07029	5.1
105.31166	0.9
107.04948	3.5
107.08563	4.9
107.80012	0.9
109.02854	4.9
109.06487	3.7
109.10141	2.9
111.04424	31.1
111.08061	1.1
113.02319	1.6
113.05972	4.0
114.10295	1.4
114.95484	1.0
117.07002	2.2
119.04916	21.0
119.08553	3.3
120.05230	1.0
121.06508	3.4
121.10131	1.3
123.04396	2.0
123.08092	1.5
123.11695	1.6
125.05975	2.1
127.03906	3.0
129.04526	2.0
129.05458	27.1
131.08553	1.9
133.06465	1.1
133.10129	2.7
135.04375	2.0
137.05969	1.6
145.02963	1.1
147.04385	100.0
147.06483	9.0
147.11720	1.8
148.04707	3.5
149.09589	1.4
151.07547	1.2
153.05432	13.4
157.04953	3.0
157.10063	1.1
159.06573	1.8
159.11646	2.4
163.03882	8.1
163.11143	1.8
165.05472	1.4
167.54105	0.9
171.06467	8.6
173.06035	1.4
173.13165	1.3
175.07547	1.2
179.07048	1.2
181.79669	1.0
183.06461	2.1
195.06631	1.3
201.07610	6.2
201.09209	0.9
203.07047	2.0
213.07564	3.3
221.08095	7.9
239.09123	9.9
257.10162	3.4
257.19040	1.1
275.10959	6.1
275.19986	9.6
293.10077	3.3
293.12741	2.7
293.15979	3.6
293.22482	3.9
304.84103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05499	10.6
57.03418	12.1
57.07074	2.1
59.04977	1.9
59.83930	1.1
61.02901	2.6
67.05486	4.9
69.03416	15.2
69.07053	2.3
71.01374	4.4
71.04597	2.0
71.04981	34.3
72.87589	1.2
73.02909	3.8
75.04472	9.1
79.05484	2.7
80.36801	1.4
81.03393	4.2
81.07040	6.2
83.04495	1.9
83.04967	28.9
85.02889	100.0
85.06533	1.7
86.03224	1.9
87.04441	3.2
88.07587	1.3
89.07972	1.8
91.05467	9.8
92.13735	1.2
93.07021	4.2
95.04950	9.4
95.08582	4.4
97.02866	2.7
97.06506	3.4
99.04427	5.6
101.05996	4.1
105.07019	4.9
105.38868	1.4
107.04927	1.6
107.08572	6.5
109.02859	5.2
109.06503	3.7
109.10110	3.1
111.04424	33.8
111.05147	2.5
111.79728	1.2
113.05967	5.6
118.07638	1.3
119.04922	20.8
119.05703	1.7
119.08542	1.9
121.06498	3.0
121.10149	2.2
127.03899	3.4
129.05457	29.7
133.06361	1.3
133.10104	2.3
135.04408	1.9
135.11694	1.6
137.02016	1.4
137.05957	2.6
141.05452	1.7
145.10091	1.5
147.04384	91.2
147.06480	8.3
148.04715	3.4
151.07559	2.0
153.05423	15.1
157.04907	3.7
157.10155	1.2
159.06485	4.4
159.11626	1.5
163.03897	4.8
171.06453	7.3
183.06506	2.9
195.06430	1.4
201.07471	6.2
207.11792	1.3
213.07542	4.3
221.08018	6.7
225.66638	1.3
239.09111	10.1
257.10229	4.1
275.10950	7.3
275.15866	1.5
275.20023	5.6
293.09778	2.7
293.12469	4.5
293.16168	1.7
293.22757	3.5
293.27722	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	293.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01858	2.2
55.05498	8.3
57.03431	12.1
57.07067	1.4
59.04986	2.1
64.53807	0.8
65.11633	1.0
67.01871	1.0
67.05499	6.7
69.03419	9.0
69.07050	3.4
71.01348	5.4
71.04982	33.6
72.08154	1.0
73.02904	4.0
75.04471	9.9
79.05476	4.8
81.03409	2.8
81.07031	5.2
83.04969	26.6
83.08598	2.5
85.02894	100.0
87.04458	1.8
88.34207	1.0
91.05474	3.9
93.07042	3.3
95.04955	7.5
95.08598	5.8
97.02882	2.2
97.06507	3.4
97.10134	2.1
99.04433	6.0
101.05979	2.2
105.07024	4.1
107.04941	2.4
107.08578	3.9
109.02861	4.7
109.06512	1.6
109.10114	1.9
111.04423	24.6
111.05141	1.7
113.02386	1.2
113.05986	3.5
114.10261	1.0
119.04906	4.8
119.08566	1.7
121.06518	1.9
121.10098	1.4
123.04374	2.3
123.08038	1.4
123.11708	1.0
125.05970	1.9
125.09675	1.0
127.03912	2.6
129.05473	25.2
131.08669	1.5
133.10124	2.1
135.11697	1.5
136.08232	1.3
137.05983	2.5
145.10095	1.6
147.04391	21.3
147.06470	9.8
147.11673	1.6
149.09599	1.6
151.03867	1.3
151.07518	1.2
151.36160	1.1
153.05450	14.8
157.04945	3.9
159.06552	2.0
163.03923	4.7
165.05400	0.9
171.06520	8.2
183.06544	2.3
195.06468	1.9
201.07539	4.3
203.07028	1.3
210.59781	1.0
213.07611	2.8
215.91682	1.2
221.07985	5.1
229.76584	1.1
239.09146	10.3
257.10187	3.1
275.11145	7.3
275.16727	1.1
275.19830	4.9
293.12424	2.8
293.16031	1.9
293.21094	3.0
293.28259	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1161
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
51.81667	0.5
53.03934	0.6
55.01865	2.6
55.05495	0.9
60.04505	1.2
61.01139	8.7
69.03409	0.4
69.77193	2.8
70.02949	0.4
70.06579	0.7
71.05002	0.8
72.04507	10.8
72.08140	1.9
73.02904	1.5
77.03598	0.4
78.03782	23.0
81.03397	1.6
83.04967	1.6
84.08089	0.6
85.02895	16.7
86.06062	4.0
97.07646	0.8
98.02393	1.5
98.06038	0.9
99.04446	11.1
102.03754	34.4
102.43102	0.4
103.02143	3.6
103.03934	29.6
104.01679	1.5
104.04235	0.4
109.02865	4.9
112.07593	1.2
113.82707	0.4
114.03770	3.1
114.05505	2.1
114.10285	3.0
115.02151	0.7
115.08667	1.5
116.01613	0.4
116.03442	0.4
117.03342	0.8
118.03199	1.1
120.04790	6.9
122.19554	0.5
122.30148	0.4
126.05504	27.3
127.03004	0.7
127.03902	9.6
127.05811	0.7
131.06375	15.4
131.12866	0.8
132.04776	13.5
135.04382	1.3
136.98499	0.4
141.06572	1.2
145.02870	2.6
146.06075	0.6
147.04414	1.0
147.05888	1.7
149.07425	83.5
150.07762	1.2
152.07053	3.3
154.08614	3.9
154.09761	0.6
156.06564	1.9
158.02672	1.1
163.03891	16.0
173.06010	0.5
175.05345	3.2
177.05473	0.7
180.06541	21.1
181.06802	0.7
186.05807	0.7
191.08539	1.2
198.07603	6.3
204.06879	0.5
216.08601	4.2
221.79059	0.4
222.07941	0.8
231.11636	5.7
233.09685	0.5
233.12865	0.9
234.11253	1.5
257.09525	3.6
275.10535	3.6
276.08755	0.6
276.13403	1.3
288.55530	0.4
292.67319	0.7
293.11621	100.0
293.15939	9.9
294.11856	4.2
294.16541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03925	0.4
55.01857	0.4
55.05502	2.4
65.03918	0.5
67.05490	1.4
69.03419	9.7
69.07047	1.0
70.11127	1.2
70.11543	0.7
71.01334	1.2
71.04977	1.0
79.05492	1.6
81.03397	0.3
81.07041	1.4
82.68138	0.3
83.04964	5.9
83.05454	0.4
83.08592	0.9
85.02886	1.8
85.06560	0.4
91.05466	9.7
93.07015	1.2
95.04921	0.5
95.08585	0.8
97.06503	0.7
97.10141	1.3
98.21446	0.4
100.57201	0.3
105.06997	1.5
107.04937	0.5
107.08580	4.7
109.06479	0.6
109.10139	0.6
111.04427	4.5
119.04924	23.5
119.08533	1.0
121.10132	0.5
123.11640	0.4
125.09614	0.7
129.05463	1.5
131.08556	0.5
133.10068	1.0
135.11729	0.7
145.10057	0.7
147.04382	100.0
147.11671	0.8
148.04697	1.7
149.09572	0.6
159.11655	0.5
163.03883	1.2
163.11172	0.4
165.05440	0.6
189.11247	0.7
221.08072	0.9
254.46672	0.3
257.19077	1.0
275.12567	0.4
275.20026	4.1
292.27478	0.5
293.10233	3.3
293.16147	0.7
293.21002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05491	1.5
57.03425	0.4
65.03952	0.5
67.02096	0.3
67.05470	0.7
69.03417	9.2
70.94421	0.3
70.94765	0.7
71.01344	2.1
71.04969	1.0
79.05473	0.6
81.07052	0.5
81.85233	0.3
83.04960	5.3
83.78910	0.3
85.02894	2.2
91.05469	9.3
93.07030	0.7
95.04895	0.3
95.08566	0.8
105.07014	0.4
107.08538	0.5
109.06556	0.3
111.04431	5.1
119.04922	22.9
119.08516	0.8
120.05252	0.3
121.10110	1.1
129.05453	1.9
131.08553	0.6
133.10104	0.4
143.08525	0.5
145.10063	0.4
147.04382	100.0
147.11659	0.5
148.04701	0.9
153.05440	0.3
155.16644	0.3
159.11662	0.3
163.03914	0.5
165.05429	0.8
171.11566	0.4
177.08980	0.3
187.07452	0.6
189.12729	0.9
217.12209	0.8
221.07993	0.5
229.59036	0.3
233.11597	2.4
274.53101	0.3
275.20032	0.7
293.10150	4.3
293.13779	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	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72054	1.3
59.61239	1.3
61.26167	1.2
64.01041	1.2
70.06538	1.8
71.22710	1.6
71.23048	2.4
72.08128	2.0
76.51087	1.2
95.83225	1.3
97.07622	1.8
101.00867	1.5
101.80459	1.2
114.10261	3.6
131.01869	1.6
143.01878	4.9
161.03012	6.4
161.99484	3.3
173.02898	2.7
173.13937	2.2
203.04018	2.0
257.15891	1.9
293.06274	100.0
293.18146	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	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90937	1.1
55.01864	1.2
56.96545	2.2
60.05628	4.6
61.02898	1.8
64.54887	1.0
69.03413	2.3
70.06567	1.6
70.15788	2.3
70.16210	4.5
72.08143	16.4
73.02902	2.4
84.08128	1.9
85.02887	5.7
89.03914	2.3
96.31927	1.1
97.02907	1.8
97.07633	3.7
98.97593	5.1
101.00843	2.5
113.43999	1.2
114.09108	1.8
114.09426	1.4
114.10278	26.5
115.08677	2.1
116.87659	1.3
116.98578	2.5
117.03383	5.5
119.01909	5.3
124.28358	1.2
127.03883	2.9
128.98546	2.2
130.08650	10.0
131.01918	2.7
131.08963	8.1
131.12897	5.8
131.13721	1.0
135.04393	11.3
143.00151	1.3
143.01894	5.5
145.02818	11.8
149.02904	1.2
155.01831	2.3
158.99716	1.8
161.02934	11.3
161.09886	1.2
161.99443	4.2
162.03166	1.0
163.03885	100.0
173.02991	6.2
173.13965	1.4
177.00569	1.1
191.03902	2.1
203.03911	5.3
213.03329	1.3
233.05139	1.4
233.12885	5.3
234.11136	6.1
235.10808	1.1
237.02881	2.6
251.04312	3.8
263.06018	1.7
276.13382	11.1
293.06290	38.3
293.09354	2.4
293.15994	72.1
294.06494	1.8
314.77869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00893	0.5
58.87915	0.5
69.73508	1.7
69.73927	2.3
91.05479	2.5
98.20682	0.9
98.57185	0.4
103.05418	0.5
109.95567	0.4
115.05415	3.4
115.47164	0.4
117.05721	0.6
117.06985	2.8
118.06522	52.9
119.06853	0.8
124.50468	0.4
130.06488	0.6
132.08028	0.8
135.33295	0.4
139.03433	0.4
141.79843	0.4
142.06514	4.5
143.07251	5.9
144.04427	0.8
144.08069	19.5
145.06477	0.7
146.05980	88.5
147.06323	1.8
155.06128	0.5
157.12909	0.5
160.07526	1.3
170.05994	10.0
170.09155	0.5
188.07040	100.0
189.07317	2.4
232.05940	0.7
279.13409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
55.05314	0.3
55.05502	3.2
56.96556	0.4
57.03424	0.6
61.02902	0.7
69.03429	1.6
71.04955	0.3
71.67255	0.6
82.06562	0.3
84.08133	2.2
85.02898	4.0
87.04486	0.3
92.96529	0.3
97.02883	1.0
98.97573	1.1
99.04408	0.6
109.02870	0.5
110.06089	0.4
112.07590	5.3
116.98593	0.7
127.03910	0.6
128.98578	0.4
130.08627	100.0
131.08966	1.2
132.12958	0.3
163.03880	0.6
164.88983	0.3
177.00710	0.4
188.85126	0.3
190.98622	0.8
251.04483	0.4
280.72479	0.3
292.13861	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
56.05821	1.2
56.96556	37.1
57.03409	2.6
60.05629	2.6
61.02903	4.4
69.03400	4.8
70.06567	4.9
70.74252	2.4
70.74646	2.3
70.98105	3.4
71.04961	1.6
71.95229	1.4
72.08153	7.8
73.02900	3.2
74.97599	1.3
81.03397	2.0
84.08125	4.6
84.96014	12.7
85.02897	10.2
86.09679	3.9
88.99137	2.2
97.02863	4.1
97.07620	2.5
97.77659	1.1
98.21395	1.2
98.97565	96.7
99.04431	2.0
106.74098	1.1
109.02903	1.9
110.06017	2.5
110.97542	17.1
112.07607	1.9
112.99127	2.4
113.07933	2.1
114.09119	3.2
114.10285	14.6
116.98605	51.0
119.01847	1.9
121.01659	5.4
124.95393	1.1
124.99128	2.4
127.03909	2.2
128.07059	1.6
128.98586	28.7
130.08620	30.0
130.68750	1.1
130.69688	1.0
131.00159	4.5
131.08072	1.4
131.08975	23.3
131.12909	2.7
132.10141	2.0
133.01617	1.4
133.03404	1.5
134.99617	14.3
135.04332	2.4
140.00192	1.6
140.98550	4.6
143.00125	12.2
143.01828	1.4
144.98091	4.6
145.01683	1.9
145.02779	2.7
146.08084	8.2
146.99626	18.7
149.01190	3.2
150.29002	1.2
151.02562	1.1
152.98578	12.9
153.00629	1.8
158.99646	14.1
161.01187	12.5
161.02945	2.4
162.99126	4.5
163.02670	2.4
163.03874	24.8
165.00691	4.8
170.99617	16.6
172.97580	5.1
173.01245	2.5
173.13939	3.1
175.02652	1.2
177.00685	13.5
182.55014	1.8
182.99649	1.3
188.97099	1.6
189.00648	8.9
190.05818	1.8
190.98602	10.8
191.02170	2.3
191.03935	1.5
195.01680	2.4
201.00677	4.2
205.00130	2.0
207.01788	1.9
208.99686	2.9
216.12332	3.1
216.99977	1.1
218.98128	3.0
219.01686	19.6
220.05986	1.6
220.99699	1.6
232.99677	6.5
233.03218	8.0
233.12930	1.5
234.13309	1.4
235.06625	1.3
236.06068	1.2
236.99252	2.1
237.02766	43.7
244.55492	1.0
246.55446	1.9
251.00679	5.7
251.04361	100.0
252.04712	2.1
255.03871	3.3
257.16028	3.2
262.42365	1.1
269.05408	32.2
274.06003	2.8
274.97476	4.4
275.00342	1.5
276.13422	1.2
279.03833	1.5
292.07043	1.7
292.98517	3.0
293.05399	76.9
293.08691	4.3
293.15497	11.7
293.18295	9.8
294.05832	1.1
311.06381	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	291.2675
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03943	1.7
55.01867	1.9
55.05500	25.8
57.06833	1.0
57.07072	11.3
59.04967	3.2
65.03927	1.4
67.05491	30.1
69.03395	4.2
69.07055	49.8
70.98790	2.8
71.04968	3.8
71.08611	2.4
79.05474	13.5
80.84504	1.1
81.07040	100.0
82.07376	3.1
83.04965	2.2
83.08151	1.8
83.08603	22.3
85.06538	6.6
91.05445	5.3
93.07025	27.6
95.04945	2.9
95.08588	94.0
96.08925	2.8
97.06512	5.9
97.10158	10.4
98.20722	1.1
99.08051	4.0
104.18327	1.1
105.07024	11.6
107.08570	35.9
109.06490	2.2
109.10136	52.1
111.08061	7.6
111.11685	7.8
113.09638	2.1
119.08575	9.4
121.10124	26.7
123.11684	48.0
124.12035	1.8
125.09566	3.7
125.13143	1.3
127.11124	1.4
129.13293	1.0
133.10059	5.0
135.11676	16.9
137.09579	1.3
137.13234	24.5
139.11115	2.4
141.12704	1.3
145.10054	1.8
147.11668	9.6
149.13235	25.8
151.11087	1.3
151.14809	4.5
153.12733	7.6
154.18843	1.1
161.13258	5.5
163.14790	15.8
165.12654	1.7
165.16344	2.2
167.14290	2.1
175.14810	3.2
177.16359	12.3
188.07071	1.6
189.16322	5.8
191.17926	6.1
203.17921	6.2
205.19513	2.6
217.19524	7.5
231.21037	2.0
235.20578	1.6
273.25723	17.6
274.26181	1.5
291.19495	1.7
291.26758	47.2
292.27124	3.1
296.01419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	1.6
55.01849	3.2
55.05504	32.3
56.05013	1.2
57.03418	2.9
57.07069	22.8
59.04982	4.3
67.05130	1.4
67.05495	30.7
69.03407	4.7
69.07061	78.4
69.53268	1.0
70.06565	2.5
70.07372	1.1
70.09858	1.0
71.04431	2.5
71.04964	4.0
71.08628	7.1
72.08142	1.3
74.63157	1.1
79.05072	1.4
79.05482	18.1
81.03386	2.3
81.07045	100.0
82.07368	1.6
83.04958	3.8
83.08612	22.8
84.04478	1.4
84.08125	3.2
85.01076	3.1
85.02896	1.9
85.06531	11.2
87.08096	49.6
87.08892	2.0
88.08402	1.4
91.05463	9.2
91.88751	1.0
93.07030	35.9
94.07397	1.1
95.04964	4.2
95.08596	94.3
96.08918	2.2
97.06525	7.9
97.10154	13.1
98.09682	2.9
99.04479	1.4
99.08088	6.6
102.03732	3.6
102.05515	5.0
105.07011	13.7
107.08578	45.7
108.08881	1.4
109.02878	1.0
109.06504	3.5
109.10146	58.2
110.10453	1.1
111.08067	14.4
111.11707	16.3
113.09666	1.7
114.10281	2.1
115.05491	1.7
116.01644	2.8
117.06982	2.8
118.06539	18.9
119.04900	2.3
119.08587	13.0
121.06445	1.1
121.10126	36.3
123.08035	3.2
123.11690	53.0
125.09595	5.0
125.13248	2.8
127.11183	1.7
130.06525	1.9
130.08607	10.6
131.08566	2.5
133.10101	9.5
135.11668	24.9
136.12010	1.4
137.06006	1.5
137.12218	1.9
137.13237	33.4
138.13519	1.1
139.11171	14.7
142.06322	1.0
143.07301	1.5
144.02095	1.2
144.08057	6.4
145.06441	1.4
145.10048	2.2
146.04865	2.4
146.05989	32.3
147.04381	5.1
147.11688	9.7
149.06007	1.4
149.13234	28.5
151.07521	1.7
151.11192	1.5
151.14789	5.7
151.97685	1.3
153.12750	7.2
156.08336	1.4
156.10193	1.9
157.10092	1.4
160.07578	1.4
161.13251	6.2
163.11105	1.4
163.14789	16.9
165.12744	2.0
165.16383	2.3
167.14339	7.0
170.06004	4.1
171.07983	1.2
171.11749	1.3
173.13339	1.2
175.14798	4.8
177.05496	1.6
177.16336	10.5
179.14316	1.3
187.06183	2.8
188.07054	38.5
189.16330	2.9
191.17870	5.5
194.56226	1.2
195.17343	1.9
198.58003	1.1
203.17937	5.5
204.10208	2.1
205.06406	6.9
205.19464	3.5
209.18927	1.3
216.06895	3.0
217.19508	3.5
221.19110	1.4
232.09706	1.6
235.20442	2.6
246.14771	1.3
247.24216	3.8
248.08299	2.4
259.11072	28.9
260.11304	2.7
263.14999	1.9
273.18494	2.7
273.25732	12.5
274.10773	4.6
291.09967	5.1
291.13745	6.2
291.16870	3.6
291.19647	3.3
291.26779	86.9
292.19525	2.4
292.27182	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	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.00253	0.9
53.03931	1.2
55.01845	2.0
55.05500	22.1
57.03417	1.7
57.06828	1.1
57.07067	13.6
58.64829	0.9
59.04988	1.9
62.92493	0.8
67.05495	28.5
68.05822	1.0
69.03407	3.8
69.07055	70.4
69.99965	1.5
70.00381	4.2
70.06595	1.2
71.04997	4.7
71.08617	6.5
72.08120	1.3
79.05477	15.7
79.43003	1.1
80.52320	0.8
81.03400	1.7
81.07043	100.0
82.07368	2.9
83.04955	2.0
83.08604	26.8
85.02877	1.6
85.06522	8.2
85.10145	1.4
91.05464	8.2
93.07025	40.2
95.04945	5.1
95.08590	92.3
96.08898	2.0
97.06499	10.9
97.10160	11.3
98.20736	1.1
99.08079	4.6
105.07019	14.4
107.08575	45.8
108.08870	1.1
109.02844	1.1
109.06477	3.3
109.10138	58.4
110.10470	2.1
111.08060	15.7
111.11684	9.5
113.09608	1.7
113.54889	0.9
114.10265	1.2
115.08561	0.9
117.06955	1.1
118.06518	6.5
119.04956	1.1
119.08551	10.9
121.10123	28.2
122.10448	0.9
123.08044	3.0
123.11687	45.2
124.11983	1.3
125.09594	3.5
125.13223	2.9
127.11246	1.2
130.08652	6.0
131.08556	2.3
133.10112	8.0
135.07925	1.1
135.11665	26.9
136.11969	1.2
137.09604	1.1
137.12212	2.0
137.13217	19.5
139.03845	1.8
139.11162	5.0
143.08482	1.0
144.08070	2.1
145.10031	1.2
146.05971	8.9
147.04393	3.3
147.08040	1.6
147.11671	11.5
149.09583	1.1
149.13240	20.0
151.11111	1.5
151.14796	3.7
153.12729	14.3
157.10095	1.8
159.08028	0.9
159.11734	1.5
161.13219	8.1
163.03816	0.9
163.14807	15.4
165.12746	3.9
167.14293	4.1
170.05977	2.3
175.14827	3.7
177.05496	1.3
177.16333	11.5
179.14233	2.1
179.17859	1.3
181.15837	1.9
188.07045	9.4
189.16347	3.8
191.17911	4.1
193.15825	1.7
193.19406	1.2
195.17307	1.2
203.17903	4.5
204.10188	1.6
205.19482	2.7
209.19032	1.1
215.06964	2.4
217.19518	6.4
221.18971	1.8
231.21121	1.2
235.20509	2.5
247.24181	1.9
263.15024	1.3
273.18561	1.8
273.25693	14.0
274.10895	4.4
291.10052	1.4
291.14413	1.2
291.19699	3.8
291.26767	80.1
292.16971	1.8
292.27011	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	291.2313
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02362	0.8
53.00265	0.8
53.03925	2.9
55.01857	1.6
55.05234	1.0
55.05501	17.2
57.07048	3.4
59.04973	1.3
65.03905	1.7
67.05492	32.7
69.07054	18.1
69.68063	7.4
73.06519	1.2
77.03912	1.0
79.05481	67.3
80.05795	0.8
81.03385	0.8
81.07042	41.3
83.04962	1.9
83.08599	9.6
85.06523	2.6
89.16163	0.7
91.05462	30.5
93.07028	100.0
94.07343	2.6
95.04952	7.3
95.08591	29.3
96.08843	0.9
97.06493	2.7
97.10156	5.1
98.98503	1.0
99.08067	0.8
100.15674	0.8
105.04448	0.8
105.07014	17.5
107.08578	52.0
108.08904	1.2
109.06500	4.0
109.10145	14.9
111.08051	3.1
115.07579	1.2
117.06985	3.7
119.08565	14.3
121.06496	1.2
121.10124	47.5
123.08025	1.6
123.11653	4.2
125.09559	1.1
129.06987	2.3
130.08582	2.4
131.08530	6.3
133.10110	14.6
135.08043	2.5
135.11671	53.0
136.12001	1.9
137.09581	2.5
137.13155	1.3
139.03923	0.9
143.08527	3.1
145.10104	7.1
147.11658	10.3
149.09598	3.3
149.13237	29.9
151.11162	1.1
157.10089	2.6
159.11708	4.5
161.09653	1.3
161.13216	6.9
163.11116	3.0
163.14803	9.6
165.05473	1.4
171.11670	4.6
173.13208	4.1
175.11179	1.4
175.14787	5.8
177.12744	2.8
177.16409	0.9
185.13235	3.8
188.07034	1.0
189.12686	1.8
195.13898	0.9
199.14838	1.6
203.14276	1.7
207.13597	1.4
209.15334	1.7
213.16353	1.4
217.15894	1.1
217.19452	2.2
221.11554	1.0
221.15340	1.8
231.17480	1.0
231.21065	1.6
232.09631	0.9
235.16908	2.5
239.50198	0.8
241.19469	6.6
249.18446	3.5
259.20581	8.8
273.22162	1.0
291.19772	3.0
291.23132	69.1
292.19052	1.0
292.23550	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03933	0.4
55.01861	1.6
55.05502	6.0
57.03406	0.4
57.07045	0.6
59.04985	0.5
65.03925	0.4
65.90593	0.2
67.05491	3.6
69.03411	1.3
69.07053	2.6
71.04971	0.7
71.79494	0.3
79.05481	5.5
81.03386	1.1
81.07040	5.5
83.04961	1.1
83.08602	2.8
83.39973	0.2
84.41437	0.3
84.84100	0.2
91.05469	5.4
93.07027	5.5
94.07323	0.3
95.04951	2.8
95.08582	2.7
96.08883	0.3
97.06499	0.8
97.10139	3.6
98.98476	0.3
105.07007	5.3
107.04914	2.7
107.08572	3.2
107.57867	0.3
108.05734	0.5
109.06494	0.9
109.10121	1.2
110.03004	0.2
111.08047	0.6
115.05456	0.4
117.06995	2.1
119.04904	1.3
119.08558	4.2
120.05715	0.4
121.06487	1.9
121.10117	2.0
123.04417	0.4
123.08052	1.4
125.09621	1.5
129.06998	1.4
130.07762	0.5
130.08603	1.3
131.08545	2.6
133.06471	2.8
133.10065	1.6
134.07240	0.7
135.08014	1.3
135.11673	0.8
139.03888	0.6
143.08531	1.3
145.06429	0.4
145.10114	1.9
147.04485	0.3
147.08038	2.9
147.11627	0.6
149.09610	1.6
149.13158	0.4
151.07471	0.4
157.10101	0.9
159.08008	0.4
159.11641	1.0
161.09560	0.8
162.10399	1.3
163.11250	0.6
165.05437	0.5
165.09015	0.6
171.11685	0.6
175.11197	0.8
185.13303	0.5
187.11205	0.3
188.07027	0.4
189.12669	0.4
207.13683	0.3
212.76740	0.2
223.13295	1.2
231.17592	0.3
232.09535	0.4
233.15437	0.3
245.18970	0.6
249.14838	1.8
255.17398	0.5
261.14807	0.5
263.20074	0.2
273.18503	2.7
291.19489	100.0
292.19821	6.3
295.11206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.42049	3.9
53.03926	6.7
55.01846	7.8
55.05503	50.3
55.60165	4.8
57.03428	13.2
67.05497	50.1
69.03423	11.3
69.07053	35.8
69.27630	5.7
71.04973	10.3
73.06542	4.9
79.05482	75.1
79.90991	4.6
81.07043	93.9
83.04979	11.0
83.08606	31.6
85.06538	7.6
91.05470	97.8
93.06482	8.5
93.07028	79.7
95.04964	16.5
95.08592	50.0
97.06486	11.0
97.10156	12.3
105.07013	89.1
107.04952	17.9
107.08581	41.1
109.06510	17.2
109.10136	14.1
111.08102	21.4
111.08734	4.5
115.05447	6.0
115.22618	4.8
117.07003	52.4
119.08553	53.1
120.06549	4.3
121.06479	14.3
121.10114	32.7
123.08058	21.5
125.09610	6.7
128.06192	14.3
129.06955	22.1
130.07748	12.2
130.08621	10.6
131.08546	91.9
133.06485	8.7
133.10106	23.9
135.08064	18.6
135.11688	10.7
137.09644	7.5
139.11232	7.8
141.06981	8.1
141.09065	5.2
143.08533	62.2
143.13039	4.3
145.08975	6.2
145.10100	100.0
146.10559	4.8
147.08025	23.5
147.11673	14.9
149.09604	14.6
151.07500	28.9
155.08546	5.9
155.43925	4.3
155.54971	4.7
157.10136	26.2
159.11638	21.2
161.09575	13.1
163.11108	5.5
165.05450	11.9
169.10129	11.2
171.11617	22.8
175.11182	10.6
181.10080	6.3
183.11664	10.7
185.13281	11.4
187.11211	5.5
189.12714	12.4
195.11603	14.5
197.13287	7.1
207.13773	19.2
215.14226	4.7
217.15839	7.8
221.11746	8.7
233.15332	12.4
233.45447	4.8
237.16342	16.3
245.18982	8.6
255.17429	8.7
263.19836	6.8
273.18442	72.5
274.44299	5.3
291.19461	86.4
291.26819	8.0
292.19733	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.54562	0.7
53.03929	1.5
55.01846	0.9
55.05262	0.9
55.05503	9.7
56.13728	0.8
57.03431	1.3
57.07063	6.2
59.04981	1.5
63.06191	0.7
65.03149	0.7
67.05491	12.0
69.03407	2.6
69.07056	22.1
71.04973	2.8
71.08614	3.1
71.48331	1.9
75.88377	0.8
79.05476	13.2
81.03398	3.1
81.07041	36.0
83.04961	3.2
83.08604	9.9
85.02889	0.9
85.06539	1.9
91.05456	8.0
93.07029	31.7
95.04959	4.7
95.08595	35.5
96.21456	0.9
96.57433	0.9
97.02824	0.8
97.06516	4.1
97.10170	5.2
98.98442	0.9
99.08088	0.8
103.05468	1.0
105.07007	14.6
107.04926	2.9
107.08572	20.8
109.05826	1.3
109.06506	13.6
109.09394	1.2
109.10137	20.4
111.08029	6.3
111.11707	4.4
117.06989	1.9
118.06525	0.9
119.08576	8.1
121.06492	1.7
121.10124	43.3
123.08059	6.3
123.11686	9.4
125.09599	4.4
130.08623	3.0
131.08554	4.4
133.06461	2.2
133.10106	7.3
135.08040	4.4
135.11679	8.7
137.09570	2.1
137.13232	7.2
139.11168	3.7
142.07721	0.9
143.08502	2.0
145.10098	4.4
146.05972	1.9
147.04335	1.1
147.08014	1.5
147.11659	7.8
149.09608	11.3
149.13213	7.6
151.07506	7.2
151.14789	1.4
153.12729	1.9
155.10597	1.0
156.78433	0.7
157.10132	4.6
159.08014	1.1
159.11626	1.6
160.08569	0.8
161.09644	1.6
161.13248	3.6
163.13556	1.1
163.14775	5.9
165.12823	0.9
167.10652	100.0
168.11017	4.6
169.10027	1.1
171.11653	1.7
173.09605	1.9
173.13237	3.7
175.11153	2.5
175.14870	1.5
177.16348	2.8
181.15700	0.8
183.11717	0.8
188.07065	1.6
189.12672	3.1
189.16367	1.6
191.10640	2.9
191.14265	4.0
191.17902	1.8
197.11659	1.6
197.13310	1.6
199.11226	0.9
203.17909	2.5
207.13663	4.3
211.14616	1.1
212.15425	1.0
213.16425	1.3
215.14204	2.7
217.12175	1.3
217.19481	3.4
231.17534	1.0
233.15300	12.9
234.15677	1.3
247.24123	1.6
253.59114	0.8
255.17355	2.5
273.18497	7.9
273.25668	10.1
274.10620	1.3
291.19519	12.5
291.26773	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	291.1948
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03911	0.8
53.44329	0.9
53.59747	0.7
55.01864	1.7
55.05502	8.6
57.07069	2.0
59.04983	3.5
61.53863	0.7
66.89781	0.7
67.05496	4.6
69.03416	2.4
69.07054	2.1
71.04987	4.3
79.05483	9.1
81.07048	8.4
83.04963	3.1
83.08607	9.1
85.02894	1.8
85.06506	2.3
87.87601	0.7
91.05472	5.2
93.07037	12.5
95.04954	5.8
95.08590	17.1
97.06529	5.7
105.07016	10.0
107.04945	12.6
107.08581	7.8
109.06513	8.2
109.10142	3.1
111.04422	1.0
111.08065	39.0
112.08456	1.0
113.09605	1.8
117.07010	2.3
119.08570	8.5
121.06470	2.3
121.10143	7.7
122.07261	1.7
123.08048	35.5
125.09595	3.2
129.07004	1.0
130.08649	1.3
131.08556	7.8
133.06462	2.9
133.10114	8.7
135.08034	5.7
135.11674	3.4
137.09573	2.7
138.67719	0.9
142.07724	0.9
143.08545	1.9
145.10136	5.0
147.08028	3.0
147.11670	7.6
149.09607	6.8
149.13261	1.2
151.07524	100.0
152.07849	3.6
153.09074	1.0
153.50795	0.9
155.08505	1.0
155.10631	3.9
156.09370	1.3
157.08879	0.7
157.10031	4.4
159.08009	2.4
159.11618	1.4
161.09595	3.1
163.11139	3.6
165.09117	1.4
167.10619	1.2
171.11638	3.2
173.09604	1.3
173.13228	5.5
174.10310	1.8
175.11194	4.2
177.09084	2.3
179.10617	6.1
181.12144	1.0
187.14716	1.7
189.12726	24.6
190.13138	1.3
191.10683	1.1
191.14297	16.1
192.11365	4.3
197.11674	17.1
197.13223	1.8
207.13776	63.7
208.14130	3.1
211.13252	2.4
213.16359	1.9
215.14246	5.0
217.12224	3.4
229.51469	0.9
231.17409	1.3
233.15335	47.9
234.15672	2.3
235.13171	1.5
249.18402	2.3
255.17427	2.9
273.18390	7.8
291.19504	71.9
292.19894	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	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01847	1.2
55.05502	4.6
57.03416	1.1
57.07069	4.0
59.04980	2.9
60.15915	0.6
61.24441	0.5
62.57899	0.6
65.03886	0.7
67.05492	4.8
69.03403	2.5
69.07044	2.5
71.04988	4.5
72.40657	0.6
79.05471	6.1
81.07042	7.8
83.04968	2.7
83.08603	4.0
85.02866	0.7
85.06521	2.7
91.05447	5.0
93.07024	11.3
95.04958	5.1
95.08582	14.3
97.06508	4.5
98.20616	1.0
105.07018	9.9
107.04941	5.8
107.08572	9.0
108.05705	1.0
109.06500	9.9
109.10155	4.9
111.08060	28.4
113.06007	0.9
113.09652	2.0
115.05393	0.7
117.06989	3.0
119.08549	12.3
121.06478	2.3
121.10122	6.3
122.07275	1.7
123.08047	36.8
125.09621	1.2
128.06229	0.8
129.06966	1.4
130.07750	1.1
130.08636	1.0
131.08539	6.6
133.06451	3.9
133.10095	8.8
135.08037	7.9
135.11667	3.3
137.09602	4.2
139.03850	0.8
141.05453	1.2
141.06969	0.8
142.07768	1.9
143.08524	3.3
144.09361	1.2
145.10103	16.5
147.04347	0.7
147.08022	3.8
147.11664	6.6
149.09563	4.7
149.13206	0.8
151.07512	100.0
152.07851	1.7
153.09055	1.3
155.08546	1.2
155.10596	2.3
156.09283	2.0
157.10110	6.0
158.10869	1.1
159.08029	2.4
159.11662	4.8
161.03149	0.7
161.09560	4.0
161.13255	2.7
163.11143	4.8
167.08591	0.8
167.10640	0.8
169.10130	1.7
170.10902	0.8
171.11629	4.4
172.21037	0.6
173.09618	1.5
173.13234	5.8
174.10367	2.0
175.11153	4.7
177.09093	3.0
177.12759	2.6
179.10608	5.1
179.13968	0.6
181.12280	1.0
182.10944	1.2
183.11610	0.9
185.13274	1.9
187.11125	5.3
187.14786	2.1
189.12708	28.8
190.13184	1.5
191.10661	1.1
191.14272	6.2
192.11377	4.0
193.12086	0.9
196.12503	0.7
197.11687	15.6
197.13293	2.8
199.11340	0.7
203.14259	2.0
205.12201	0.8
207.13768	64.7
208.14137	2.7
211.13107	0.9
213.16338	2.5
215.14259	5.3
215.22835	0.6
217.12270	3.9
229.15921	1.0
229.23515	0.8
229.45575	0.7
231.17456	3.7
233.15324	21.4
234.15675	1.0
235.13274	1.4
239.46344	0.7
249.18387	1.3
255.17474	3.8
273.18430	9.8
274.18750	0.8
291.19485	59.8
291.26831	2.0
292.19763	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0971
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
55.05502	1.8
56.96553	1.7
67.05503	3.3
69.07044	1.1
70.06584	1.7
71.04986	1.1
72.08147	3.9
81.07037	6.3
82.57319	0.9
83.04969	1.5
83.08612	1.4
84.04496	1.2
84.08149	2.0
85.02882	1.3
85.06535	1.2
87.00821	2.6
88.03979	1.3
91.05479	3.9
93.07048	2.0
95.04996	1.5
95.08609	1.3
97.02901	1.0
97.07638	1.2
98.09680	1.1
98.21526	2.0
104.23889	1.0
105.03398	1.7
105.07040	2.4
107.08584	2.3
114.10289	3.9
115.05456	4.6
115.08694	1.1
117.05765	2.1
117.07001	3.2
118.06535	26.0
119.08583	1.4
121.10147	1.4
123.11712	3.8
129.07019	1.5
130.06517	100.0
131.06888	1.4
132.08080	32.5
133.02838	8.3
133.08469	1.1
133.10121	1.3
134.06009	4.2
136.06252	1.1
141.12680	1.4
142.06500	11.6
143.07309	3.7
144.08075	10.1
146.05995	54.6
147.04417	3.3
149.09744	1.2
151.11177	2.5
156.02869	2.0
156.08090	3.9
157.07611	4.4
158.06053	2.6
158.08395	3.9
159.09169	78.8
160.07507	5.8
160.09547	2.1
167.06029	1.5
167.86041	1.1
169.07613	2.8
170.05998	34.0
172.07562	1.4
174.04025	1.6
177.02251	2.2
177.05476	1.2
181.07553	2.5
183.09148	5.1
184.07550	15.3
185.07083	35.6
186.07452	1.5
187.06268	8.5
187.08650	4.3
188.07059	70.9
195.03331	2.4
199.08737	1.8
200.07037	8.4
201.10204	10.5
203.11858	2.4
204.10188	7.6
205.09795	1.6
209.07135	1.7
227.08141	41.8
228.08495	1.3
229.09795	2.6
229.81726	1.4
231.07704	1.7
232.09789	2.0
245.09210	87.1
246.09612	2.1
255.07660	4.4
263.15027	13.2
267.09299	1.0
273.08685	11.1
291.09619	4.9
291.14481	8.1
291.19534	2.1
304.33337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
53.03944	0.4
53.81234	0.3
55.01871	1.4
55.05511	0.6
59.51321	0.3
61.14642	0.3
65.03946	1.0
67.05511	1.6
68.99778	1.8
69.03433	0.4
70.06597	0.7
70.90930	0.5
70.91268	0.7
72.08137	3.4
74.39184	0.3
77.03926	0.7
77.15520	0.3
83.04982	1.0
85.02882	0.4
91.05442	1.7
93.03400	1.4
95.04954	2.8
97.02876	0.6
97.07649	0.6
98.06024	0.7
104.30492	0.3
105.03367	1.6
105.07008	0.8
106.06581	0.5
107.04922	0.8
111.04417	2.8
114.10268	3.1
115.05444	1.1
115.08653	0.9
119.04923	6.8
121.02867	0.4
123.04407	65.5
124.04751	1.1
127.03899	1.3
128.11815	1.4
133.02829	10.6
133.06454	1.0
134.05981	3.5
135.04404	0.7
137.02319	0.6
137.05995	1.2
139.03871	100.0
140.04199	2.0
143.04897	2.7
147.04378	28.1
148.04764	0.4
150.05434	0.9
151.03885	3.0
153.05447	0.7
154.98093	0.3
161.05949	7.6
162.05469	0.7
162.38658	0.4
163.03877	1.5
165.05446	15.9
166.05832	0.5
169.04951	1.3
177.05405	1.2
179.06981	3.2
179.69859	0.4
181.04861	0.9
182.90338	0.4
189.05396	1.8
201.10342	0.4
203.11723	1.9
204.10168	8.8
207.06479	6.5
217.13428	0.8
231.06538	0.4
232.09659	0.9
233.16263	0.3
246.12360	2.9
249.07475	1.2
263.14984	12.8
264.15295	0.4
273.07462	1.8
274.11853	0.5
274.15402	0.4
291.05481	0.6
291.08633	7.6
291.14325	10.2
291.17984	4.6
292.17044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03930	0.3
55.01861	1.6
55.02114	0.3
55.05506	0.5
65.03925	0.6
65.35700	0.3
67.05496	1.7
68.99773	1.9
69.03409	0.4
69.07054	1.2
69.94484	2.2
71.74091	0.3
72.08138	1.2
77.03900	0.5
81.03399	0.5
81.07012	0.4
83.04972	1.3
85.02894	1.7
89.05853	0.3
91.05479	1.6
93.03386	1.1
95.04963	3.0
95.08608	0.3
97.02900	0.7
101.03847	0.3
101.52472	0.3
105.03379	0.7
105.07011	0.7
107.04935	0.8
109.02853	0.4
111.00790	0.3
111.04430	2.6
114.10266	1.1
115.05452	2.0
115.08656	0.4
118.06525	1.0
119.04926	6.0
123.04412	65.0
124.04758	0.9
127.03898	1.0
130.06526	1.1
130.08614	0.5
131.04822	0.6
133.02820	3.6
133.06485	1.2
134.05988	0.9
135.04402	0.6
137.02287	1.0
137.05951	1.3
139.03883	100.0
140.04231	2.0
143.04897	2.6
144.08076	0.4
145.06410	0.3
146.05984	1.7
147.04388	23.2
148.04741	0.6
148.11194	1.4
149.05984	0.4
150.05446	0.5
151.03934	2.1
151.07596	0.4
153.05476	0.6
161.05962	7.5
163.03856	1.8
165.05452	15.4
169.04897	1.3
170.06044	0.7
177.05444	1.0
179.06982	2.9
181.04953	0.9
187.06325	0.4
188.07043	2.4
189.05486	1.8
194.52582	0.4
203.11826	0.5
204.10176	3.7
205.08508	0.4
207.06506	6.7
208.94897	0.3
232.09528	0.5
245.09265	0.7
246.12332	0.6
249.07526	1.0
255.16162	0.4
263.14984	4.9
273.07468	1.7
291.08560	7.5
291.14435	3.0
291.18018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45072	1.2
55.05495	2.0
56.96555	2.1
60.48338	1.3
67.05479	2.4
68.99764	1.4
69.03399	1.9
70.04866	10.2
70.06575	2.2
71.04990	1.8
72.08134	6.8
79.05503	2.2
79.17078	1.3
81.07031	6.8
83.04974	1.5
83.08618	2.1
84.20276	1.5
85.06499	1.8
87.00809	2.4
91.05457	5.3
95.04931	1.8
97.02859	1.8
97.06489	2.2
103.05421	1.6
105.03381	1.8
105.07022	1.8
107.04972	1.9
107.08594	2.1
107.47981	1.6
110.67322	1.5
114.01848	1.4
114.10250	3.3
115.05414	4.3
115.08712	1.9
117.06988	2.1
118.06522	19.5
119.04915	2.0
120.31973	1.7
123.04434	1.8
123.11686	3.6
130.06500	100.0
132.08069	31.0
133.02829	11.5
134.05942	5.4
141.05702	1.7
142.06522	7.7
143.07225	2.8
144.08070	10.3
146.04865	3.0
146.05991	40.4
147.04350	3.4
151.11090	2.4
156.08026	3.4
157.07616	4.9
158.05946	3.9
158.08377	4.6
159.06349	2.5
159.09158	82.9
160.07553	7.8
161.08263	2.9
167.05986	2.2
170.05992	35.9
172.07457	1.7
174.03937	1.5
177.02267	3.1
182.15318	1.6
183.09175	6.6
184.07533	14.1
185.07071	36.1
187.06212	15.5
187.08681	3.7
188.07034	55.2
195.03250	5.5
200.07037	7.8
201.01404	1.5
201.10181	12.8
203.11702	3.5
204.10149	9.5
209.07133	1.9
210.14723	1.9
227.08124	41.1
229.09573	3.0
232.09595	3.4
245.09174	91.6
255.07614	4.4
263.15018	15.5
266.55692	1.6
268.10815	3.7
273.08694	13.9
276.79962	1.5
282.62427	7.5
291.09650	6.2
291.14294	15.2
291.19427	2.1
291.63699	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	291.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03806	3.8
71.39764	10.5
85.02896	4.8
89.96096	4.3
91.00126	3.7
98.97622	7.3
107.07569	3.8
114.09161	15.5
115.09480	8.6
115.50607	3.9
116.98603	4.6
127.03876	4.0
130.08632	32.5
155.51164	4.8
189.00717	6.7
200.04509	6.0
200.54608	5.2
225.71410	3.9
244.58757	3.8
277.32126	4.0
291.04947	8.7
291.08325	100.0
291.16406	9.6
292.08691	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	291.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.9
56.96556	30.2
60.49555	1.9
64.16307	2.0
69.03413	4.7
70.06133	14.4
70.06536	4.7
84.08115	3.5
84.96040	5.6
85.02886	9.5
90.00256	2.3
97.02878	6.6
98.97566	100.0
110.97564	7.6
112.07548	4.7
114.09161	39.8
115.09472	18.7
116.98602	52.4
119.01915	3.2
128.98573	9.1
129.05495	3.3
129.37007	2.7
130.08623	58.1
131.00163	3.3
131.01926	2.2
133.02798	4.4
134.99634	19.1
137.05945	2.6
141.46741	2.1
143.00116	6.1
143.01878	3.0
145.01645	3.6
146.99625	7.6
149.01170	2.7
158.99644	30.1
161.01224	6.1
161.02809	2.3
165.04355	2.4
170.99625	5.7
174.11217	2.9
175.11549	7.5
177.00705	31.8
179.02290	2.3
186.99193	3.2
187.03008	2.2
189.00749	2.9
189.04340	7.3
195.01799	3.3
201.00668	2.3
205.00145	2.9
207.05392	5.0
219.01764	9.2
230.97893	2.5
231.05508	2.8
232.09680	3.8
237.02779	21.8
248.99229	6.0
255.04172	2.3
263.14948	4.2
291.03674	2.4
291.04742	3.4
291.08289	51.5
291.13113	2.1
291.16437	27.0
309.08469	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	290.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
55.90158	0.2
56.05030	0.2
56.96560	3.6
57.03433	0.5
58.06598	0.4
60.04514	0.4
61.02912	0.4
61.46859	0.2
66.77147	0.2
67.05543	0.2
68.05024	0.6
68.54638	0.2
69.03424	1.4
70.06591	1.3
71.04979	0.9
71.21049	0.3
71.21382	0.5
72.08141	0.7
73.02906	0.8
79.05480	0.5
80.05016	0.4
81.03397	0.2
81.05784	1.0
81.07067	0.3
83.04961	0.9
84.04491	0.3
84.08122	0.6
84.96030	0.8
85.02902	1.7
85.83690	0.3
86.09695	3.4
87.04420	0.3
89.61272	0.2
91.05472	0.8
94.06537	0.7
96.08124	3.1
97.02875	1.5
98.97575	9.1
99.04442	0.5
109.02862	0.4
110.97564	0.8
112.07597	0.6
112.99145	0.3
114.09158	100.0
115.09489	1.4
116.97852	0.5
116.98617	5.6
117.05525	0.2
119.01907	0.7
119.04939	1.1
127.03943	0.4
128.07077	0.6
128.98593	1.9
130.08633	0.9
131.00172	0.3
131.01923	0.3
132.10208	0.3
134.99623	1.6
137.05968	3.3
138.06337	0.4
143.00180	0.6
145.01706	0.3
145.04980	0.4
146.99678	1.7
147.03291	0.5
147.04407	1.8
148.04689	0.3
153.03955	0.3
155.04501	0.3
156.10199	0.4
157.13365	1.6
158.99644	2.4
161.01256	0.8
161.02905	0.7
163.02768	0.2
163.03989	0.2
165.00699	0.5
165.04279	0.4
170.99660	0.5
173.02824	0.4
174.11249	23.9
177.00731	3.5
179.07071	0.6
183.02269	0.4
185.12875	0.6
186.99103	0.3
189.00710	0.4
191.02316	0.3
191.03906	0.5
191.54132	0.3
192.05693	0.3
195.01755	0.3
200.04379	0.8
201.04294	0.3
203.03995	0.3
205.00247	0.6
207.05360	0.4
208.04897	1.2
208.55081	0.4
217.05428	1.6
217.55609	0.5
219.01712	1.4
219.05070	0.3
223.01222	0.6
223.04805	0.3
232.09875	0.3
237.02808	2.4
244.15437	0.8
247.01212	0.4
248.99068	0.5
267.00171	0.4
290.15952	53.0
291.04388	0.3
291.08228	2.4
291.13544	0.5
291.16556	1.7
307.79608	0.2
309.08542	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	290.2107
Annotation	Dyclonine
Peak:m/z	Relative Intensity
54.07336	0.3
55.01851	0.9
55.05504	0.6
57.07053	0.8
58.66580	0.3
59.04976	0.5
59.86435	0.3
67.05481	0.6
69.07049	2.9
70.06564	0.8
70.06953	0.3
71.08621	0.3
73.02893	2.2
73.06532	1.2
76.19778	0.4
79.05473	0.4
81.07057	1.3
83.04951	0.4
84.04462	0.3
85.02869	0.3
88.07598	0.9
91.05482	0.5
93.07009	0.8
95.08591	1.5
97.06497	0.4
105.06999	0.5
107.08558	0.9
109.06514	0.4
109.10117	0.8
114.09106	0.4
118.06525	8.6
119.08582	0.5
121.10086	0.6
123.11726	0.3
131.08513	0.4
132.08070	2.7
132.10194	1.0
133.08893	1.5
134.09637	0.8
135.08067	0.3
135.11665	0.4
146.09605	2.5
147.04329	0.4
149.13229	0.4
150.11227	0.7
176.14319	39.9
177.14644	1.3
202.15961	1.0
228.23203	0.5
232.09656	0.5
232.13168	0.6
246.14923	0.8
246.24136	0.5
260.16534	0.8
290.21097	100.0
290.26694	6.4
291.21545	7.2
291.26819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.05503	1.3
57.03423	0.3
57.07052	0.5
59.04973	0.6
66.82116	0.2
67.05502	1.3
68.20018	0.2
68.86417	0.2
69.03419	0.3
69.07057	5.3
70.07394	0.3
71.04980	0.5
73.06547	1.6
79.05457	0.8
81.03391	0.3
81.06667	0.2
81.07050	2.4
82.07375	0.5
83.04943	0.4
83.08575	0.3
84.04479	0.4
91.05476	0.8
93.07029	1.4
94.07346	0.4
95.04932	0.4
95.08572	2.0
96.08912	0.8
97.06494	0.6
105.06963	0.7
107.08567	1.2
108.08907	0.4
109.02778	0.2
109.06437	0.4
109.10140	1.3
110.10454	0.5
114.53488	0.2
117.07009	0.4
118.06521	12.6
119.07347	0.3
119.08547	0.8
120.08101	0.3
120.08875	0.3
121.10114	1.3
122.10450	0.5
123.11677	0.7
124.12016	0.2
127.11167	0.4
130.06535	0.2
131.08551	0.6
132.08051	4.5
133.08832	2.6
133.10014	0.5
134.09633	1.0
135.08032	0.4
135.11647	0.5
136.12039	0.3
137.13219	0.7
138.13579	0.5
140.17484	0.2
145.10078	0.5
146.09604	4.2
146.10660	0.3
147.10345	0.7
147.11635	0.5
149.13222	0.4
150.13565	0.4
164.15208	0.3
176.14313	69.4
177.14674	1.7
178.16568	0.2
203.17935	0.3
204.18306	0.3
207.13681	0.2
216.13777	0.4
216.17892	0.3
225.00577	0.2
234.14835	0.3
260.16476	0.3
272.24561	0.7
273.18286	0.6
290.21091	100.0
291.21707	4.7
291.26578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03926	1.7
55.05502	8.8
57.07072	5.2
60.39027	1.0
67.05495	13.1
69.03419	1.7
69.07056	21.4
71.04978	9.5
71.10049	1.3
71.10389	2.6
79.05470	10.6
81.03373	1.4
81.07044	42.8
83.08610	7.4
85.06525	1.5
91.05466	8.8
93.07028	30.6
95.04942	3.2
95.08595	37.0
95.09992	1.0
97.02905	1.5
97.06506	3.0
97.10138	4.2
99.08073	3.2
103.05508	1.2
105.07011	17.5
106.35125	1.1
107.08581	28.6
109.02888	1.1
109.06497	1.5
109.10142	31.1
111.04441	1.4
111.08077	1.3
111.11697	2.7
117.07014	2.5
118.06512	12.8
119.08566	18.0
121.06451	1.2
121.09250	1.8
121.10124	32.2
121.86039	1.1
123.04369	1.5
123.08064	2.6
123.11691	13.3
125.09599	2.0
127.03867	2.5
127.11174	13.3
129.56511	1.1
131.08563	6.0
132.08044	5.3
133.08884	1.5
133.09067	1.8
133.10094	13.1
134.09622	1.6
135.04395	3.4
135.10721	1.5
135.11668	13.5
137.09589	1.8
137.13223	9.3
138.13731	1.1
139.11125	1.4
142.07637	1.0
143.08540	1.8
145.06369	1.2
145.10101	9.1
146.09612	4.2
147.07997	1.2
147.11671	12.5
149.13242	25.9
150.13562	1.6
151.11127	2.3
157.10098	2.0
159.08002	1.1
159.11678	9.8
161.13248	7.9
163.03802	1.3
163.14795	8.0
165.12735	1.7
171.07959	1.2
171.11630	1.6
173.13229	6.6
175.14806	7.3
176.14328	62.3
177.16309	3.5
179.14307	4.8
185.13309	1.3
187.11111	1.8
187.14806	9.9
189.16354	3.8
191.14270	1.0
191.17929	3.2
193.15849	1.7
201.16335	6.2
203.17923	25.4
215.17847	5.0
217.19441	2.4
219.17346	1.1
228.18747	1.2
229.08543	1.2
229.19492	1.8
245.22673	1.0
259.05945	1.1
271.16782	2.0
271.24164	18.2
289.18039	4.7
289.21869	2.7
289.25195	38.7
290.21097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03937	2.1
53.81871	0.9
55.01862	1.3
55.05503	16.0
57.03444	1.1
57.07069	6.9
65.03911	1.2
67.05496	20.7
69.03413	2.9
69.07059	52.1
70.15343	5.5
71.04983	2.2
71.08604	1.8
79.05484	15.4
81.03374	1.0
81.07044	78.7
83.04963	2.5
83.08148	1.7
83.08603	17.6
85.02872	1.1
85.06527	6.0
91.05466	9.5
93.07037	35.1
95.04959	9.7
95.08593	51.3
97.06533	6.8
97.10125	6.2
97.92816	0.8
99.08065	3.8
104.46508	0.9
105.07014	29.0
107.08582	42.2
107.58489	1.0
109.06477	5.7
109.09390	1.8
109.10141	37.0
111.08067	7.6
111.11707	9.7
117.06985	2.8
119.08569	25.1
121.10133	43.7
123.08026	1.9
123.11687	58.8
124.12011	1.1
125.09615	2.7
131.08559	4.3
133.10097	17.7
135.11670	25.6
137.09631	5.9
137.13235	12.2
139.11147	9.9
143.08376	0.9
145.10101	8.8
147.11673	20.3
149.13237	21.1
150.58527	0.9
151.11137	7.6
151.14775	1.8
153.12706	1.5
159.11667	11.6
161.13228	18.0
163.03891	1.6
163.11145	1.7
163.14771	13.2
165.12721	8.5
167.14351	2.7
171.08002	1.4
173.13240	9.7
175.14810	13.9
177.16338	9.9
179.14302	3.5
185.09566	1.0
187.14755	6.5
189.16367	9.7
191.14282	1.8
191.17908	2.4
193.15854	2.7
199.14861	1.2
201.16367	7.4
203.17946	5.2
205.15881	2.2
207.17398	2.7
215.17970	6.4
217.19485	2.9
219.17421	2.1
229.19498	4.6
233.18974	2.5
243.21161	1.5
245.22606	22.1
246.23041	1.0
271.17023	1.4
271.24191	20.6
289.18097	4.1
289.25214	100.0
290.25485	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	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.65262	0.5
53.03927	1.7
55.01868	3.1
55.05504	16.1
56.90136	0.4
57.03418	0.5
57.07066	4.2
57.28379	0.5
59.04980	1.1
64.43158	0.4
65.03928	1.4
67.05495	15.6
67.59708	0.4
69.03417	2.8
69.07058	26.2
70.00641	3.2
70.06570	0.5
71.04977	1.4
71.08617	1.3
73.02895	0.8
75.77365	0.4
77.03897	0.6
79.05482	11.1
81.03394	1.4
81.07043	61.3
82.07349	0.7
83.04981	2.4
83.08608	14.5
85.02874	1.3
85.06516	3.1
91.05462	10.1
93.07030	30.0
95.01359	0.5
95.04959	5.6
95.08593	28.7
97.02871	1.2
97.06514	5.1
97.10146	3.0
98.21353	0.8
99.04430	0.5
99.08057	1.5
99.98235	0.5
103.05412	0.6
103.22753	0.5
105.07018	18.8
107.04913	1.1
107.08579	29.7
108.22404	0.5
109.02824	0.7
109.06503	5.0
109.10139	26.5
109.80682	0.5
111.04416	0.9
111.08068	6.1
111.11698	2.1
113.09626	1.0
117.06989	2.1
119.08558	14.4
121.06452	2.3
121.10122	16.4
123.04404	1.4
123.08044	1.9
123.11687	17.1
125.09604	1.8
127.03907	1.0
128.06198	0.7
129.06969	1.0
129.09088	0.5
131.08543	4.0
133.02866	0.6
133.06538	0.5
133.10110	16.4
135.04401	1.4
135.08020	1.6
135.11667	9.9
136.69511	0.5
137.05965	1.6
137.09595	2.2
137.13226	3.8
139.03909	0.5
139.11160	2.1
141.06990	1.3
143.08543	2.3
145.06470	1.0
145.10095	7.3
145.60956	0.5
147.08018	1.5
147.11662	11.7
149.05981	0.9
149.09598	1.9
149.13240	9.2
151.03911	1.1
151.11156	11.3
151.14842	1.3
153.12758	0.6
154.07727	0.5
157.10091	1.8
159.08014	1.1
159.11673	6.9
161.13243	7.4
163.03917	1.4
163.11148	1.7
163.14799	5.7
164.11928	1.2
165.12735	17.6
167.08488	0.5
169.09990	0.8
171.08031	2.9
171.11635	0.9
173.09576	1.3
173.13242	5.6
175.11145	0.6
175.14824	7.4
177.12747	1.2
177.16333	5.0
179.14282	1.9
181.10117	0.6
181.15807	0.7
183.08040	0.8
183.11621	1.0
185.09567	1.5
185.13223	0.7
187.11147	0.7
187.14775	4.1
189.16360	5.0
191.07281	0.5
191.14331	0.7
191.17970	3.1
193.15892	1.1
197.13147	0.7
199.11209	0.6
199.14844	1.0
201.09128	1.3
201.12691	0.7
201.16414	3.5
201.72179	0.5
203.17894	2.1
205.15843	1.5
207.17412	0.8
215.10580	1.0
215.17917	3.3
217.15955	0.6
219.17374	1.5
225.16116	0.6
229.19441	1.2
231.21083	1.5
233.18886	1.4
235.20930	0.5
241.15654	0.7
243.21037	1.2
245.22656	5.1
253.15926	0.5
271.16904	3.3
271.24191	7.9
289.11020	1.1
289.14847	1.5
289.18268	7.3
289.25214	100.0
290.25452	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	289.2521
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03927	1.9
55.05504	17.2
57.07068	8.2
59.04981	1.9
65.03937	1.4
65.26987	1.1
67.05497	19.6
69.07060	40.5
69.59567	10.5
71.04968	2.4
71.08612	2.2
71.20240	1.2
72.26105	1.2
78.86123	1.2
79.05481	11.0
79.71272	1.2
81.07050	49.0
83.08617	12.9
85.06538	3.6
91.05464	10.1
93.06491	2.0
93.07037	24.6
95.04934	2.1
95.08595	46.9
97.10172	7.5
105.07020	35.3
107.08581	34.2
109.06510	1.7
109.10142	36.1
111.04432	1.8
111.08035	1.6
111.11678	7.3
117.06997	5.3
119.08562	36.4
119.83994	1.4
121.10131	27.0
123.08057	2.3
123.11684	11.1
125.09605	10.2
125.13247	2.4
127.03912	2.9
127.11254	1.4
131.08560	13.1
133.10109	24.4
135.04405	2.7
135.11665	19.4
137.13228	5.9
143.08542	1.7
144.09349	1.4
145.10107	20.4
147.11671	28.7
149.13245	23.1
151.14796	1.6
157.86644	1.4
158.10803	1.3
159.11697	18.0
160.12082	1.2
161.13242	38.6
163.14818	12.5
165.12762	10.9
171.11592	1.5
173.13237	16.2
175.14795	14.8
177.16339	11.8
179.14288	45.4
183.11652	2.1
187.14795	11.0
188.92381	1.4
189.16371	12.4
191.14363	2.3
191.17960	4.3
193.15863	2.8
199.14793	1.9
201.16348	10.3
203.17906	4.6
205.15840	2.1
207.17392	15.4
209.13002	1.2
213.16402	1.4
215.17917	17.5
217.19495	1.9
219.17439	5.0
229.19511	6.5
231.21059	4.6
233.18912	2.8
259.24179	1.8
271.24167	48.2
289.22064	3.5
289.25208	100.0
290.25696	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05498	18.1
57.07068	11.8
59.04989	3.7
65.03910	3.1
67.05501	25.8
68.90584	2.7
69.07057	41.5
71.80291	5.1
72.42525	2.9
77.71007	3.5
79.05479	14.3
81.07046	71.4
83.04955	3.7
83.08599	16.5
85.02851	4.1
85.06532	7.4
85.10217	3.2
85.34196	2.8
91.05450	14.8
93.07045	33.9
95.08588	75.8
97.10141	7.3
99.08057	3.4
101.99290	2.7
105.07021	41.1
107.08580	94.5
109.06522	5.8
109.10137	60.7
111.04442	6.3
111.08170	3.2
111.11710	6.1
117.07021	6.5
119.08566	79.5
121.10133	55.7
123.04444	5.7
123.08051	9.2
123.11722	22.0
125.09604	21.7
127.03910	5.3
131.08569	14.7
133.10092	40.3
135.04399	13.9
135.11684	28.5
137.09552	6.4
137.13246	13.1
139.03934	8.0
142.07710	3.8
143.08530	5.3
145.10103	39.6
147.11667	37.5
149.13187	18.9
151.14928	4.1
155.08371	3.0
157.10097	7.4
159.11668	69.8
161.13239	70.9
163.11223	4.1
163.14865	19.5
165.12738	7.8
171.11678	5.7
173.13226	24.0
175.11183	4.2
175.14787	21.1
177.16348	20.9
179.14291	38.3
187.14784	37.9
189.16386	16.3
191.17915	53.7
201.16374	20.0
203.17982	10.6
207.17235	4.0
210.83528	3.1
213.16443	3.9
215.17941	13.8
217.19478	13.9
229.19482	11.2
243.20914	3.9
245.22604	12.6
253.19527	9.3
271.20688	14.8
271.24139	100.0
289.06335	3.2
289.14407	5.3
289.21661	24.1
289.25244	89.7
309.16733	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.252
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.36013	2.9
55.05503	16.9
57.07070	6.8
58.11170	2.7
67.05501	23.9
69.07059	50.0
69.68382	24.4
69.68703	5.8
79.05495	17.4
81.06599	4.4
81.07047	71.3
81.07523	3.6
83.08614	15.0
85.06522	4.0
91.05462	12.8
93.07040	26.2
95.08592	58.4
97.10130	5.2
101.05308	2.8
105.07014	38.5
106.09049	3.1
107.08575	94.6
109.06507	6.3
109.10139	54.5
111.11695	7.8
119.08565	69.3
121.10130	43.7
123.08078	14.9
123.11687	21.6
125.09587	26.8
131.08537	8.2
133.10114	34.6
135.11682	23.5
137.09593	2.9
137.13210	7.9
145.10083	21.3
147.11661	67.3
148.11980	3.7
149.13232	15.9
151.11165	7.5
159.11688	23.9
161.13248	88.8
163.14781	17.1
165.12706	25.2
165.57368	3.1
173.13243	17.5
175.14807	25.7
177.16380	7.1
179.14284	100.0
180.14674	3.5
187.14758	17.1
189.16360	21.6
190.17130	6.8
191.17975	3.7
201.16403	14.1
201.75230	3.1
203.17957	12.4
205.15813	4.0
207.17386	6.6
215.17923	20.3
217.19493	8.5
229.19443	8.1
231.21115	3.1
233.19048	3.7
271.24155	80.9
272.24463	3.2
289.25217	67.2
312.20923	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1794
Annotation	Estriol
Peak:m/z	Relative Intensity
55.00179	1.5
55.01857	3.7
55.05492	7.4
57.03418	4.8
57.07067	3.3
61.02905	4.9
67.05494	13.3
69.03429	10.4
69.07058	8.8
70.06573	3.1
71.04980	4.7
71.78718	2.5
73.02877	4.9
74.06053	2.5
75.72504	1.6
78.21166	1.6
79.05486	11.5
81.03407	9.0
81.07044	13.8
83.04967	8.3
83.08602	3.4
84.04465	2.1
85.02903	8.3
85.06514	2.7
86.09695	2.7
87.04470	1.6
91.05466	13.3
93.03354	2.9
93.07039	14.1
94.32050	1.6
95.04940	15.2
95.08609	13.9
97.02869	9.7
97.06504	4.9
98.97570	1.6
99.04434	5.2
105.07016	21.7
107.04922	5.4
107.08580	16.3
109.02841	3.8
109.06519	10.6
109.10143	21.5
111.04424	8.1
113.05965	2.8
115.05383	2.3
116.01663	2.3
116.98547	1.8
117.07010	9.8
119.08575	17.7
121.06472	11.3
121.10154	14.3
123.04406	5.9
123.08064	7.2
125.05982	5.1
127.03883	3.7
128.06194	5.2
129.06972	8.6
130.06508	5.1
130.07753	3.8
130.80624	1.7
131.08559	16.9
133.06467	2.6
133.10112	21.0
135.04376	6.8
135.08031	4.1
135.11674	7.5
137.05984	5.0
137.09579	2.4
139.03842	4.2
139.07538	2.7
140.07062	2.4
141.01785	1.9
141.06946	5.3
142.03169	2.1
142.07744	4.1
143.02670	1.7
143.08524	15.6
144.09299	2.4
145.02820	1.8
145.06459	4.9
145.10114	21.1
147.08020	6.5
147.11673	11.3
148.07590	2.4
149.02339	5.0
149.05966	14.5
149.08383	2.9
149.09531	2.5
151.07553	4.5
153.01814	4.8
153.06966	2.4
154.07706	2.6
155.08470	8.6
156.09332	3.2
157.10095	20.2
158.06046	3.2
158.07246	1.9
158.10780	4.1
159.08025	7.0
159.11653	15.5
161.09564	6.4
163.03894	7.7
165.08998	1.9
167.07098	2.2
167.08505	4.3
168.09319	3.1
169.08717	3.1
169.10094	14.2
170.10847	3.4
171.08057	18.7
171.11623	11.5
172.08775	2.9
173.09567	6.7
173.13243	22.5
175.07509	2.8
175.11172	6.7
175.14838	6.6
177.09157	3.0
179.08423	2.9
181.10115	6.2
182.10861	4.4
183.08138	2.7
183.11667	10.3
184.12598	2.9
185.09613	9.8
185.13202	13.4
186.05505	2.5
186.10349	2.3
187.11185	9.2
187.14816	7.9
189.09021	2.7
189.12640	1.8
191.10667	3.2
193.10112	2.2
194.10916	1.9
195.11656	6.6
196.12408	1.9
197.09657	6.3
197.13211	8.4
198.10304	1.9
199.11131	5.4
199.14832	14.7
201.09125	4.6
201.12762	5.4
201.16356	2.1
203.10573	2.0
203.14316	4.1
205.12289	3.1
209.13239	3.3
211.11247	3.8
211.14772	8.9
213.12700	4.1
213.16304	2.7
215.07068	3.5
215.10646	6.8
215.14319	6.4
223.14822	4.0
223.31290	2.1
225.05519	2.0
225.12675	2.8
225.16420	4.2
226.12212	3.0
227.14276	4.1
229.12207	2.7
229.15961	3.6
233.11736	4.3
235.14728	3.1
241.15829	9.3
243.06477	5.0
243.17278	3.2
245.05809	11.2
253.15842	8.0
259.05994	1.9
259.16867	3.4
271.05954	2.5
271.10550	2.1
271.16904	36.2
272.12839	2.8
289.06985	4.5
289.10907	2.8
289.15231	6.2
289.17963	100.0
290.18228	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	289.1793
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03928	1.9
55.01860	4.9
55.05497	6.0
57.03424	6.2
57.07059	2.9
61.02903	2.3
62.28237	1.9
67.05499	12.9
69.03414	12.7
69.07058	11.5
70.06557	3.0
71.78786	2.7
73.02897	3.8
79.05483	11.8
81.03402	7.8
81.07037	16.4
83.04957	8.2
84.08169	2.1
85.02901	11.1
85.06528	3.1
86.00648	2.9
86.09720	2.0
91.05463	12.9
93.07027	22.0
95.04964	13.7
95.08591	13.0
95.60061	1.6
97.02887	11.4
97.06517	5.4
99.04451	4.3
103.05418	1.6
105.07001	21.7
107.04965	4.1
107.08596	17.0
109.02872	3.5
109.06493	9.9
109.10139	27.9
111.04425	5.9
113.05956	3.4
114.10274	2.7
115.03861	2.4
115.05433	2.2
116.01640	3.9
117.06974	8.5
119.08568	24.7
120.08065	2.1
121.06512	12.6
121.10114	19.4
123.04421	5.9
123.08080	5.1
123.11708	2.8
125.05975	5.5
127.03917	5.0
128.06204	5.5
129.06979	4.8
130.06526	4.3
130.07747	3.0
131.08551	20.0
133.06442	4.4
133.10097	20.1
135.04387	6.5
135.08020	3.8
135.11682	7.8
137.05995	4.6
137.09593	2.9
139.03918	4.3
139.07532	4.4
140.06996	2.2
141.06938	5.4
142.03256	1.7
142.07742	6.1
143.02719	2.0
143.08563	18.0
144.09305	4.1
145.02856	2.5
145.06479	7.4
145.10101	24.3
146.06027	2.2
147.08014	5.6
147.11676	10.5
148.07550	2.5
149.02327	4.7
149.05943	15.0
149.08339	4.3
149.09526	3.5
151.03900	2.7
151.07463	4.5
153.01814	5.5
153.07004	2.1
154.07713	3.2
155.07329	2.7
155.08510	10.5
156.09312	6.1
157.10124	20.1
158.05994	2.5
158.10950	4.7
159.08031	10.0
159.11705	17.4
161.09653	7.0
161.13220	1.9
163.03909	7.9
163.07518	2.1
163.11168	2.5
165.09090	2.5
167.07115	3.1
167.08528	4.4
169.08702	3.7
169.10124	11.5
170.10904	5.2
171.08031	19.4
171.11684	12.1
173.09610	6.5
173.13226	24.4
175.11171	3.5
175.14832	7.3
176.07065	2.2
177.09105	3.2
181.10095	5.6
182.10875	2.5
183.07945	2.7
183.11723	7.6
185.09607	11.0
185.13205	13.8
187.07556	2.1
187.11203	9.7
187.14833	8.1
189.09125	3.6
193.08524	2.0
193.10106	3.6
193.15884	2.7
195.11723	5.5
197.05951	1.9
197.09605	5.4
197.13234	7.0
199.11185	4.0
199.14769	12.0
201.09122	4.6
201.12708	7.3
201.16231	2.5
203.14227	2.5
209.13293	2.0
211.11198	4.6
211.14764	9.7
213.12720	5.4
215.07050	6.0
215.10651	8.4
215.14301	3.3
220.12413	3.1
223.14853	2.7
225.12665	2.2
225.16360	6.8
226.12280	3.1
227.14293	5.5
229.04951	4.8
229.12206	2.7
229.15842	4.7
231.13676	2.1
233.11636	3.2
235.14879	3.9
241.15849	10.9
243.06508	5.1
243.17332	2.9
245.05930	15.7
245.15472	3.0
253.15804	8.9
259.16833	2.4
271.16901	34.6
272.12793	4.7
289.07648	1.9
289.11200	3.4
289.15305	8.2
289.17993	100.0
290.18179	3.4
298.03348	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0914
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03928	0.5
55.01860	0.2
56.96538	0.2
57.03411	0.5
60.56648	0.2
61.02897	0.9
67.05463	0.2
69.03423	1.6
70.06570	0.3
70.69958	0.6
71.04985	0.3
72.08131	0.2
73.02883	0.3
81.03419	1.0
85.02893	4.8
86.09694	0.4
91.03919	0.4
93.07059	0.2
97.02866	1.5
98.97568	0.3
99.04461	0.2
102.67602	0.2
109.02852	1.0
111.04484	0.3
127.03893	100.0
128.04228	1.8
139.03883	0.5
145.04947	0.8
153.93929	0.2
154.73337	0.2
192.43022	0.2
212.63428	0.2
231.06610	0.3
256.39554	0.2
289.06842	0.3
289.12442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1541
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
55.01868	0.7
55.05500	2.3
57.03419	0.8
57.07056	1.3
65.03912	0.5
65.69682	0.4
67.05493	3.1
69.03426	0.8
69.07053	3.2
69.57726	0.4
71.04977	0.6
71.79871	0.7
73.02895	0.6
79.05476	3.5
80.05040	0.5
81.03360	0.4
81.07043	6.2
83.04980	0.9
83.08598	0.8
84.08159	0.5
85.02861	0.5
85.06514	1.1
90.73459	0.4
91.05470	5.1
93.07033	5.8
94.06554	1.1
95.04949	1.8
95.08591	6.0
96.08104	1.9
97.02872	0.5
97.06505	1.2
97.10161	0.4
99.04443	0.7
99.61116	0.4
104.04963	0.5
105.07002	4.7
106.06532	1.2
107.04902	0.6
107.08572	3.9
108.08102	0.9
109.06505	1.6
109.10149	3.9
111.04442	0.7
111.11728	0.6
115.05463	0.6
115.87649	0.4
116.04955	0.8
117.05762	1.2
117.07022	1.2
118.06519	5.6
119.08557	5.2
120.08087	13.3
121.06510	1.1
121.10125	4.5
122.09632	0.8
123.04435	1.3
123.08025	0.7
123.11697	1.9
124.07575	9.7
125.09595	0.5
126.09138	1.3
127.03899	0.8
127.11186	0.5
129.07002	0.8
130.66663	0.5
131.08549	1.8
133.06482	0.6
133.10114	3.3
134.05997	5.8
134.10422	0.4
135.04393	1.1
135.06880	0.5
135.08070	1.1
135.11673	1.6
136.07568	5.6
137.05960	0.4
137.09633	0.8
137.13287	0.5
138.05489	2.4
138.09140	0.8
139.03934	0.5
139.11197	0.6
141.06926	0.6
142.07802	0.5
143.08548	1.1
145.06447	0.5
145.10080	2.2
146.05948	3.9
147.06761	2.5
147.07941	0.8
147.11650	2.3
148.07539	10.1
149.13232	1.6
150.09132	1.1
151.03839	0.6
152.07028	1.4
157.10089	1.3
159.08038	2.4
159.11670	2.0
161.09595	0.8
161.13226	1.3
163.03880	0.9
163.11288	0.5
163.14877	0.6
164.07043	100.0
165.05525	0.5
165.07523	2.6
166.08601	3.3
169.10173	0.6
171.08005	1.3
171.11623	0.7
173.09613	0.7
173.13280	1.3
175.07596	0.5
175.11221	0.6
175.14864	0.9
177.09084	0.6
177.12794	0.5
181.10165	0.4
183.11656	0.6
185.09593	0.6
187.11162	0.5
189.12802	0.9
189.16428	0.6
197.13307	0.8
198.12874	0.6
200.10678	0.6
201.12706	0.4
213.16335	0.7
214.10928	0.7
215.10678	0.5
215.15411	1.3
215.17908	0.5
216.10208	2.1
225.16232	0.4
226.12167	0.7
229.13350	1.1
229.15761	0.7
231.17337	0.6
233.11705	0.4
243.14937	5.4
245.16541	3.5
246.06674	0.5
253.13350	1.8
253.15729	0.7
253.19431	0.4
254.11551	0.7
271.14383	20.0
271.16922	2.6
271.20212	0.8
271.23975	1.0
272.14685	0.8
289.15399	82.4
289.17807	4.7
289.24701	3.6
290.15738	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03924	1.1
55.01863	1.0
55.05490	1.0
57.03416	1.7
64.13488	0.6
65.03925	1.7
67.01852	1.0
68.99447	0.7
68.99776	3.2
69.03416	3.0
70.06562	1.0
71.45718	1.4
72.85555	0.7
73.02881	0.9
79.05466	2.0
80.60945	0.7
81.03394	1.5
81.07034	1.0
83.04948	0.8
85.02878	2.9
91.05470	3.6
93.07009	1.9
95.04937	1.7
97.02857	1.5
97.06492	0.7
99.04415	1.0
105.06999	1.2
107.04942	27.6
107.08559	1.9
108.05264	1.7
109.02891	1.2
109.06448	1.4
109.10108	1.2
111.04418	2.4
112.02089	0.7
115.05415	0.9
116.01673	1.0
119.04895	3.6
119.08544	0.9
121.02843	10.9
121.10119	1.3
123.04411	2.0
125.09628	1.1
127.03883	2.6
129.06995	1.2
130.06500	1.2
131.04890	1.9
131.08524	0.9
133.10150	1.0
135.04428	3.8
135.11646	0.9
137.02307	0.8
137.05948	0.7
138.73273	0.6
139.03850	1.8
141.06946	3.9
145.02832	1.8
145.06425	0.8
145.10107	0.7
147.04376	1.9
147.08041	2.7
149.02322	68.7
150.02641	3.2
151.03903	0.8
153.01810	30.0
153.03067	1.4
159.04391	1.4
159.08037	1.6
163.03839	2.6
167.03407	2.4
169.06427	5.8
171.02847	1.2
173.05997	1.9
173.13229	0.9
179.03270	0.8
181.06429	0.8
187.03918	1.4
187.07552	2.2
195.02882	2.4
197.05966	7.8
199.05412	1.0
199.07507	0.7
200.04718	0.7
201.05511	0.8
213.05490	0.7
215.07008	72.9
216.07335	5.2
216.97250	0.6
225.05382	1.6
227.06975	0.7
243.06503	100.0
244.06815	6.2
245.05881	4.2
253.04883	1.5
271.05966	38.4
271.16965	0.8
272.06351	2.3
289.07101	3.6
289.11707	1.0
289.15115	1.6
289.18338	3.3
310.38858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68394	0.9
55.01864	0.9
56.96295	1.1
56.96558	12.1
57.03431	1.9
58.99851	1.2
61.02899	1.5
69.03407	1.1
70.06573	3.8
70.58873	3.1
70.98108	0.9
70.99818	0.8
71.95221	1.0
72.08143	1.8
73.02903	2.5
77.00890	1.0
79.08787	0.7
81.03410	1.3
82.99849	1.6
83.11865	0.8
84.08138	1.3
85.02893	3.0
86.09689	3.8
86.99302	0.8
87.04444	0.9
88.99167	1.1
89.00879	0.8
93.31702	0.8
97.02874	2.9
98.97566	11.8
101.00865	22.8
103.02415	1.2
110.97567	1.2
112.99135	1.1
113.00866	1.7
113.12531	0.8
114.09166	3.7
115.02425	10.1
116.98596	7.5
119.01906	100.0
120.02003	3.1
127.03892	3.3
127.08670	1.8
128.98593	2.0
129.03943	3.2
129.10205	1.1
131.00165	2.0
131.01892	9.9
133.03453	29.3
134.99615	4.4
135.05006	1.2
137.02945	25.4
142.03467	1.8
143.01877	9.8
144.99826	4.1
145.03459	6.7
146.99646	2.1
147.01416	2.1
147.05008	5.6
149.01213	1.4
149.02943	3.0
151.04498	6.2
157.03477	2.9
158.99680	1.1
159.01405	2.6
161.02940	40.6
161.06671	1.0
162.03163	1.1
163.04500	2.6
168.99818	7.8
170.05035	1.1
171.01396	5.5
173.02957	8.5
175.00873	2.6
175.04468	2.1
175.11865	1.1
177.00742	2.0
177.02440	1.6
178.04956	2.3
178.55096	4.5
179.03973	3.9
180.99875	1.2
183.05006	1.3
184.04550	1.5
185.02950	3.6
186.99191	1.5
187.00859	20.2
187.04457	1.8
188.96878	0.8
189.00804	1.4
189.02396	8.6
191.02264	1.4
191.03946	8.9
193.00175	1.8
196.99336	3.3
199.00871	9.2
201.02425	2.5
203.00372	1.3
203.03937	2.0
205.01935	14.5
207.01756	1.3
207.03571	1.6
208.05020	1.4
214.56058	1.1
215.00333	24.1
216.00552	0.9
217.01929	17.2
219.01686	1.3
219.03502	7.5
221.05028	1.5
223.02983	3.7
224.08054	1.5
229.01892	7.7
230.06877	1.2
231.03560	2.0
233.01440	3.4
235.03040	1.3
237.02765	1.3
247.00674	1.6
247.02991	21.8
248.03174	0.9
248.08080	1.9
259.02820	1.9
265.03949	6.7
272.56619	0.8
274.97400	1.6
277.04007	4.4
288.99002	0.9
289.03983	8.2
289.07428	3.3
289.14352	1.8
289.20560	2.3
289.59229	1.0
307.05164	8.1
307.08386	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	288.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16151	0.3
52.08883	0.3
52.97193	0.3
53.72790	0.3
55.05509	0.8
57.03443	0.4
60.05639	0.4
67.05500	0.6
68.05023	0.6
69.03435	0.5
69.07058	1.2
69.90978	0.7
69.91386	1.8
70.06596	1.9
71.04978	0.6
72.08152	2.7
74.06068	1.5
75.05582	0.4
76.79542	0.3
79.05486	1.0
81.05790	0.8
81.07042	0.5
83.04969	1.3
84.08136	1.5
85.02888	0.5
85.06481	0.5
86.09698	6.9
87.10008	0.4
91.05448	0.4
93.03411	0.4
93.07043	0.5
94.06598	0.7
95.04955	0.8
95.08620	0.5
96.08125	3.7
97.06518	1.0
98.06050	0.4
107.04956	1.1
109.02871	0.5
111.04438	0.8
114.09158	100.0
115.09476	1.6
116.07088	0.7
121.10137	0.5
123.04415	5.8
124.07586	1.3
127.03904	1.0
129.10229	2.4
130.06502	1.0
131.04933	0.3
131.08563	0.4
132.10214	0.7
135.04387	1.7
137.05989	0.6
139.03947	1.9
141.07030	0.4
143.11763	2.4
144.06537	0.4
144.23305	0.3
145.02831	0.3
149.02330	0.5
151.03906	0.5
153.01778	0.4
156.10187	0.4
157.07646	0.5
157.09695	0.4
158.05968	1.0
160.09720	0.4
163.03905	2.0
165.05479	0.6
166.05956	0.6
171.11311	1.2
174.11246	44.7
175.08652	0.5
175.11722	0.7
182.08412	1.9
205.04897	0.6
207.09189	0.5
211.08665	3.3
217.95502	0.3
241.09668	0.6
243.06335	0.5
253.09827	0.3
256.09631	0.4
260.06296	0.4
271.10507	0.4
288.09760	1.0
288.18015	64.6
289.07004	0.5
289.11838	4.8
289.18341	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2365
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03929	0.8
55.05503	3.8
57.07051	1.3
65.03931	0.8
67.05488	4.5
68.99771	1.9
69.03409	1.3
69.07055	6.2
71.04982	5.6
71.08609	0.7
72.08127	0.6
79.05485	5.1
81.07043	18.0
83.04959	0.7
83.08594	1.7
85.02870	0.6
85.10175	0.5
91.05459	5.2
92.57298	0.4
93.07032	11.6
94.07378	0.5
95.04964	1.3
95.08590	10.7
97.02854	0.6
97.06509	1.2
97.10133	1.1
99.08078	1.1
103.05426	0.9
105.03405	0.9
105.07011	16.7
106.07366	0.6
107.04933	1.3
107.07897	0.8
107.08581	11.9
108.08951	0.5
109.06490	0.9
109.10132	7.5
111.00744	1.5
111.04420	0.9
111.08041	1.1
111.11700	0.6
115.05470	0.5
117.07001	2.3
119.08565	21.6
120.63728	0.5
121.02849	6.0
121.06491	1.1
121.10117	12.3
121.10960	0.9
123.08028	1.1
123.11676	4.1
125.09625	1.5
127.03901	0.5
127.11172	4.7
128.06189	0.8
129.06966	1.7
131.08540	5.0
133.02759	0.7
133.10101	7.6
135.04382	0.6
135.08067	1.2
135.11670	3.3
136.27318	0.4
137.02309	2.0
137.05945	1.3
137.09613	1.1
137.13263	0.8
139.11110	0.6
141.06924	0.6
141.12668	0.7
142.07733	1.0
143.08531	2.9
143.62907	0.5
144.09258	0.6
145.06487	0.8
145.10106	12.9
147.04350	1.2
147.08122	0.5
147.11656	8.7
149.09547	0.5
149.13223	4.0
151.11122	0.7
153.01788	9.8
156.09320	0.8
157.06487	1.3
157.10095	5.8
158.10696	0.4
159.11667	12.3
160.12064	0.5
161.05945	0.5
161.13222	3.9
163.11163	0.9
163.14792	1.6
165.01845	2.8
165.05478	1.4
165.06818	0.5
165.12685	0.6
167.07352	0.5
170.10818	0.9
171.04398	0.9
171.11662	3.4
173.13239	5.6
175.14799	1.8
177.16333	0.6
183.02856	2.1
183.11641	0.6
185.05914	1.5
185.13213	4.1
186.13878	0.7
187.14781	2.6
189.12740	0.6
189.16371	2.3
191.14224	0.5
193.15942	0.5
199.14780	3.4
201.16360	19.5
202.16649	1.1
203.14296	0.5
203.17953	0.8
213.05420	3.1
213.16336	4.8
215.17921	1.2
217.15848	0.6
217.19598	0.6
227.17856	1.6
229.19510	1.1
231.06532	1.3
231.17368	0.7
241.04811	0.9
241.19615	0.5
258.05240	2.0
259.05890	1.4
269.04156	0.4
269.19525	0.7
269.22635	8.6
270.23041	0.5
287.05453	100.0
287.23630	26.2
288.05823	7.6
288.09106	0.8
288.23898	0.8
298.17871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2364
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
51.25652	1.6
53.03946	2.1
53.11441	1.5
55.01826	1.8
55.05504	13.0
57.03423	1.6
57.07070	3.7
67.05493	20.3
69.03424	2.9
69.07055	19.3
71.04967	3.5
71.79572	1.8
79.05470	13.8
81.07044	52.2
81.07525	2.8
82.63707	1.5
83.04961	2.2
83.08603	6.3
85.06499	3.0
87.04449	1.5
91.05460	13.7
93.07026	34.6
95.04932	5.5
95.08591	46.9
96.08870	2.3
97.06502	3.4
97.10145	2.8
98.61568	1.6
99.08118	2.4
103.05450	2.5
105.07014	34.2
107.04919	3.4
107.08579	35.5
109.06499	4.0
109.10141	26.1
111.08074	10.1
113.20439	1.5
117.06989	7.6
119.08556	41.2
121.02864	4.5
121.06494	2.7
121.10133	28.1
123.08034	3.8
123.11690	13.5
125.09586	2.7
129.06985	6.8
131.08553	21.1
133.10112	27.7
135.08015	3.3
135.11690	14.7
137.05963	4.1
137.09581	3.5
137.13268	2.7
142.07677	2.6
143.08536	13.6
144.09282	1.9
145.10098	28.4
147.04274	1.6
147.11659	24.0
149.09561	3.1
149.13242	12.9
151.11137	3.1
153.01793	5.2
156.09306	4.8
157.10110	18.7
158.10887	2.8
159.11678	34.8
161.09605	2.9
161.13268	16.6
163.11157	2.0
163.14801	5.6
165.01833	2.8
165.05473	6.5
167.08597	1.8
170.10829	3.2
171.11656	17.2
172.12273	1.8
173.13234	26.3
175.14813	16.4
176.15033	1.8
177.12772	4.4
177.16371	5.6
179.14313	1.9
183.11676	1.9
185.13232	12.2
187.11230	1.7
187.14772	11.3
189.16371	8.8
191.14276	2.9
193.15883	2.1
195.11581	2.1
199.14752	13.7
201.16324	7.8
203.14227	2.1
203.18030	3.5
205.15825	2.1
213.12759	4.2
213.16331	17.3
214.16881	1.8
215.17953	4.7
217.15843	4.2
219.17499	1.8
227.17934	8.8
229.19461	24.3
231.13780	2.8
231.17442	5.1
231.21051	2.6
241.19498	5.4
243.21031	2.2
259.24179	4.7
269.19012	11.6
269.22601	45.4
270.23074	3.5
287.05493	48.4
287.16760	4.7
287.20050	23.8
287.23642	100.0
288.05722	3.9
288.20410	2.5
288.23993	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	287.2363
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
55.05499	12.2
57.07059	6.4
67.05495	12.4
69.07058	15.2
70.06573	2.6
70.24684	4.0
70.25095	1.9
71.04961	2.5
71.08593	1.9
79.05477	10.9
81.07039	34.6
83.08613	6.8
88.07599	5.0
91.05466	10.8
93.07026	21.9
95.04925	1.4
95.07987	2.0
95.08592	35.7
97.06486	1.5
97.10135	3.1
105.06319	1.8
105.07014	29.4
106.08639	2.5
107.08578	26.9
109.06508	2.9
109.10144	23.9
110.09567	1.1
111.08041	3.3
111.11658	3.2
117.06990	7.8
118.51103	1.0
119.07729	1.7
119.08562	32.3
120.08894	1.3
121.02776	1.2
121.10124	20.2
123.08023	2.0
123.11694	9.0
125.09601	1.2
128.06200	1.3
129.06967	5.1
131.08536	20.6
133.10107	20.1
133.45757	1.1
135.08005	2.1
135.10913	1.1
135.11678	13.8
137.09596	1.4
137.13223	2.7
142.07704	2.2
143.08545	10.7
144.09247	3.1
145.10115	27.8
147.10585	1.3
147.11671	17.7
149.09575	1.8
149.13229	10.5
151.11140	1.9
153.01819	1.7
156.09296	3.6
157.10103	13.6
159.11668	29.8
160.12128	1.3
161.13239	11.4
163.11137	2.6
163.14818	7.1
163.41978	1.2
165.05435	6.6
170.10742	1.8
171.11650	16.1
173.13229	19.4
174.14024	1.4
175.11157	1.8
175.14767	11.1
177.12704	3.1
177.16321	2.8
179.14326	1.5
183.11539	2.2
185.13214	12.3
187.14757	11.1
188.15154	1.7
189.12782	1.5
189.16312	5.1
191.14252	3.5
199.14778	13.2
199.58861	1.3
200.15312	1.8
201.16342	6.9
203.14288	2.5
203.17908	4.0
205.15877	3.0
211.14778	1.7
213.12923	1.0
213.14851	1.1
213.16422	15.0
215.17848	4.2
217.15808	4.7
227.17952	10.3
229.19450	21.1
231.17468	7.1
231.20915	3.5
241.19435	5.9
243.20955	2.9
245.19069	2.0
249.78673	1.2
250.05937	1.2
257.22488	2.3
259.24182	5.4
269.22604	47.5
270.22955	3.0
287.05444	16.1
287.16678	3.1
287.20035	11.6
287.23611	100.0
288.05740	1.7
288.21094	1.3
288.24045	6.1
288.28928	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01852	0.2
55.05489	0.5
65.03916	0.4
67.01843	0.2
67.05492	1.2
68.99785	1.4
69.03403	0.4
69.07056	0.9
69.61446	1.8
71.04975	0.4
71.97413	0.2
79.05470	1.4
81.03383	0.4
81.07047	1.9
83.04964	0.4
83.08575	0.3
91.05460	0.7
93.07024	1.0
95.04940	0.5
95.08594	1.6
97.06540	0.4
97.10163	0.3
103.05436	0.4
105.03385	0.6
105.07036	1.1
106.50986	0.2
107.04923	1.2
107.08570	1.1
107.97453	0.2
109.02843	0.6
109.06537	0.2
109.10132	0.9
111.00777	1.3
111.04436	0.4
113.27370	0.2
115.05389	0.3
117.06995	0.4
119.04926	0.3
119.08543	1.1
120.08089	0.2
121.02851	5.4
121.06474	0.3
121.10123	0.9
123.08062	0.3
123.11685	0.6
127.03899	0.2
129.06955	0.5
131.04929	0.2
131.08539	0.8
133.02806	0.9
133.10098	0.9
135.04396	0.3
135.08035	0.3
135.11639	0.7
136.07562	0.2
137.02315	2.0
137.05977	1.0
137.09598	0.3
137.13136	0.3
141.06961	0.3
143.08551	0.2
145.06468	0.4
145.10088	0.9
147.04387	1.1
147.11684	0.5
149.13222	0.5
151.11244	0.3
153.01810	9.0
153.03056	0.5
157.06487	1.1
157.10097	0.2
159.11656	0.6
161.05984	0.6
161.13203	0.3
163.07516	0.2
164.07076	0.2
165.01814	2.9
165.05472	1.4
169.06436	0.3
169.10146	0.3
171.03036	0.3
171.04428	0.6
171.11684	0.4
175.03871	0.2
175.07454	0.2
179.06960	0.2
183.02835	1.6
185.05908	0.8
185.13168	0.2
187.14731	0.2
195.04333	0.2
195.08064	0.2
199.03801	0.3
199.14815	0.3
201.16402	0.4
203.07001	0.3
209.69547	0.2
213.05440	2.8
213.16310	0.3
215.17894	0.5
229.04938	0.3
231.06508	1.2
241.04877	1.1
243.06369	0.3
251.19884	0.2
255.09937	0.3
258.05267	1.7
259.06015	1.0
259.20523	0.2
269.04477	0.3
269.12653	0.3
287.05457	100.0
287.23596	1.6
288.05795	3.9
288.08923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	0.2
67.01855	0.2
68.99443	0.2
68.99782	1.7
70.31857	0.6
79.05486	0.6
79.05873	0.1
83.01325	0.1
88.86001	0.1
95.04931	0.3
98.20780	0.1
99.68912	0.1
103.05420	0.2
105.03393	0.7
107.04951	0.7
108.38791	0.1
109.02872	0.6
111.00782	1.4
111.04428	0.3
115.05458	0.2
119.04914	0.2
121.02853	5.6
121.03748	0.2
127.03886	0.1
129.06989	0.2
133.02800	0.9
135.04373	0.3
135.08052	0.2
137.02321	1.8
141.06953	0.3
145.06468	0.4
147.04414	1.2
153.01807	8.5
157.06451	1.3
161.05972	0.3
162.77180	0.1
165.01811	2.9
171.04352	0.4
173.05965	0.1
183.02873	1.3
185.05934	1.1
189.05453	0.4
197.05960	0.3
201.05414	0.2
203.03285	0.2
203.06970	0.2
212.04535	0.1
213.05447	2.7
229.04941	0.3
231.06494	1.1
241.04907	1.4
258.05200	2.0
259.05997	0.7
269.04404	0.3
287.05460	100.0
288.05798	3.9
288.09042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03946	0.1
55.01846	0.1
59.40137	0.1
65.03924	0.3
67.01850	0.3
68.74075	0.1
68.99783	1.7
69.03423	0.2
69.07042	0.1
70.82044	0.1
70.82397	0.3
79.05479	0.4
81.03391	0.2
81.07024	0.1
83.01286	0.1
87.50626	0.1
91.05475	0.2
93.07059	0.1
95.04929	0.3
95.08561	0.1
103.05459	0.3
105.03375	0.7
105.06997	0.1
107.04942	1.1
109.02885	0.8
111.00798	1.3
111.04442	0.5
115.05440	0.2
117.07031	0.1
119.04951	0.2
119.08539	0.1
121.02853	6.2
121.06454	0.1
127.03905	0.2
128.06265	0.1
129.06981	0.3
131.76741	0.1
133.02820	0.9
133.06494	0.1
135.04411	0.4
135.08041	0.1
136.07599	0.1
137.02322	1.9
137.05968	0.1
139.05438	0.1
141.06944	0.3
143.04860	0.1
145.06464	0.5
147.04395	1.4
153.01807	10.0
154.02148	0.2
157.06473	1.3
161.05945	0.3
163.03929	0.1
164.07094	0.4
165.00424	0.2
165.01819	3.3
166.02258	0.1
167.08592	0.1
169.06415	0.1
171.02971	0.2
171.04402	0.6
175.03896	0.2
179.03459	0.1
182.68156	0.1
183.02884	1.5
185.05945	1.1
189.05434	0.3
190.18195	0.1
194.02098	0.1
197.05927	0.3
199.03879	0.1
201.05402	0.2
203.03363	0.2
203.07045	0.2
213.05440	2.9
214.05969	0.1
216.04306	0.1
217.04890	0.1
227.10522	0.1
229.05025	0.4
231.06456	1.2
241.04922	1.5
242.05463	0.1
243.06670	0.2
245.04483	0.1
258.05212	2.0
259.06024	1.0
269.04352	0.4
269.09073	0.1
269.12759	0.2
286.04501	0.1
287.05457	100.0
288.05786	3.9
301.59604	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.92616	0.1
53.03942	0.1
55.01855	0.1
65.03920	0.4
67.01853	0.3
68.99438	0.1
68.99787	1.8
69.03414	0.1
69.68494	0.4
69.68922	0.4
71.01339	0.1
79.05476	0.4
80.08733	0.1
81.03381	0.2
91.05486	0.2
93.75845	0.1
94.04179	0.1
95.01356	0.1
95.04963	0.3
97.02890	0.1
103.05447	0.2
105.03385	0.7
105.06992	0.1
107.04942	1.2
108.05237	0.2
109.02859	0.8
111.00791	1.5
111.04415	0.3
119.04936	0.2
120.41869	0.1
121.02853	5.8
121.06479	0.2
122.03214	0.2
127.03920	0.2
129.06999	0.2
131.04848	0.2
133.02829	1.0
135.04430	0.2
137.02327	2.1
137.05980	0.5
139.05353	0.1
140.84093	0.1
141.07004	0.3
143.04936	0.1
145.06490	0.6
147.04387	1.2
149.05966	0.1
151.03876	0.2
151.07544	0.1
152.06189	0.2
153.01813	9.5
154.02130	0.2
157.06480	1.2
161.05945	0.5
163.07500	0.3
165.01830	3.5
165.07019	0.1
166.02319	0.1
167.08557	0.3
169.06485	0.2
171.04369	0.5
175.03824	0.2
175.07501	0.2
183.01419	0.2
183.02896	1.7
183.90305	0.1
185.05968	1.0
189.05437	0.3
195.08061	0.4
197.05949	0.4
199.03860	0.2
201.05540	0.1
203.03409	0.2
203.07013	0.3
213.05441	2.8
214.05971	0.2
216.04231	0.1
217.05063	0.1
223.07553	0.2
227.10681	0.4
229.04939	0.4
231.06499	1.2
240.07997	0.1
241.04921	1.5
242.05621	0.1
243.06482	0.1
255.10123	0.3
258.05225	2.1
259.05994	0.8
269.04468	0.3
270.12140	0.1
287.05466	100.0
288.05789	5.5
288.09018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
55.01860	0.1
55.56705	0.1
59.55511	0.1
65.03918	0.3
67.01853	0.4
68.99781	1.6
69.03410	0.2
70.83825	0.1
71.01340	0.1
79.05487	0.5
81.03407	0.3
83.01310	0.1
91.05448	0.2
93.07000	0.1
95.04950	0.2
97.02881	0.1
97.06524	0.1
103.05460	0.2
105.03381	0.9
107.04943	1.0
109.02868	0.7
111.00784	1.5
111.04439	0.5
115.05453	0.1
117.07009	0.2
119.04917	0.1
121.02853	6.0
121.03921	0.2
121.06483	0.1
127.03894	0.2
128.06241	0.1
129.07001	0.4
130.51607	0.1
131.04890	0.1
133.02829	0.9
133.06439	0.1
135.04437	0.3
135.08002	0.1
136.07545	0.7
137.02324	1.9
139.05386	0.1
141.06978	0.3
145.06468	0.6
147.04391	1.4
149.05998	0.1
151.03877	0.1
152.07063	0.1
153.01807	9.4
154.02168	0.1
155.04825	0.1
155.06000	0.1
157.06462	1.2
161.02391	0.1
161.05940	0.5
164.07027	0.5
165.01820	3.4
165.05400	0.1
166.02304	0.1
167.04961	0.1
169.06491	0.1
171.02977	0.1
171.04395	0.6
173.05920	0.1
175.03915	0.2
179.03365	0.1
181.01350	0.1
183.02876	1.6
184.05077	0.1
185.05978	1.0
189.05452	0.2
191.03485	0.1
194.02103	0.1
197.05942	0.2
199.03905	0.2
201.05463	0.2
203.03349	0.2
203.07043	0.3
212.04585	0.1
213.05435	2.7
214.05748	0.1
217.04916	0.1
229.04893	0.3
231.06474	1.1
241.02524	0.1
241.04932	1.5
242.05554	0.1
243.06520	0.2
245.04410	0.1
258.05228	2.0
259.06033	0.8
263.05362	0.1
269.04300	0.3
287.05460	100.0
288.05798	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
54.65011	4.3
55.01852	9.6
55.05502	5.2
56.89117	4.2
56.96550	14.8
57.03455	26.1
58.59529	4.1
60.05637	14.4
61.02929	41.2
66.06986	4.6
69.03422	54.7
69.98874	32.0
70.06580	19.9
71.05010	5.3
72.08148	34.7
73.02908	37.7
81.03394	12.9
82.25385	4.4
84.08140	8.6
85.02892	100.0
85.47742	5.0
86.03220	11.5
87.04490	6.2
90.17341	5.3
91.02455	8.0
91.03929	7.6
97.02882	53.6
97.07641	9.1
98.03228	6.2
98.06039	6.2
98.20720	6.9
98.97588	27.1
99.04436	5.4
101.00853	12.2
106.28500	4.7
109.02909	7.7
114.09139	15.2
114.10258	10.5
115.02400	5.6
116.98593	14.7
119.01895	50.4
120.01993	6.8
121.01628	9.4
122.10963	4.8
124.03941	5.3
125.04266	9.3
127.03914	36.1
128.02354	8.0
128.98570	11.9
130.08618	13.8
131.01880	24.2
131.12915	40.1
133.01601	6.2
133.03468	8.6
137.02956	7.8
139.05875	6.5
143.01871	17.2
144.01939	4.9
144.99799	14.1
145.03490	5.8
145.04944	20.1
146.99725	6.9
149.02858	6.7
151.04472	7.9
155.01836	10.9
156.44821	4.8
158.99657	5.5
160.09758	4.8
161.02927	23.7
162.03070	13.2
162.04431	6.7
163.02744	7.8
163.04135	4.7
165.05560	5.6
170.99677	7.3
173.02942	20.1
174.03084	9.3
174.04478	12.7
175.02582	9.8
175.11967	6.3
175.53596	6.9
176.93520	8.7
177.00771	7.2
177.02400	7.2
182.03268	8.6
183.05020	28.4
183.55145	6.6
185.02916	10.0
187.00873	11.8
187.02518	4.5
187.04509	4.5
188.01096	10.4
189.00705	11.3
191.03870	29.1
192.05504	23.2
192.55624	5.1
196.56587	7.5
200.04387	25.5
203.04063	14.1
205.01964	9.6
205.54642	6.9
206.02556	7.4
206.04346	8.2
210.07613	5.3
215.00417	9.9
215.03102	5.9
216.00623	8.6
217.00098	6.6
219.03542	5.2
220.03754	5.3
221.05031	5.8
231.03496	6.3
232.03687	6.9
245.05090	8.9
248.03165	8.7
249.02786	7.9
254.99873	8.3
261.02676	7.9
273.00919	10.8
285.78152	5.6
287.02304	8.1
287.05313	51.3
287.13504	48.1
287.16199	8.5
287.19025	18.6
289.03885	5.6
309.04758	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	286.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28292	0.5
53.03931	0.7
55.01873	1.0
56.05027	0.6
56.96558	16.6
57.03423	4.4
59.05004	0.8
60.05643	16.6
61.02917	7.3
65.50163	0.5
68.05018	0.8
69.03420	6.6
70.06583	100.0
70.15807	2.5
70.16202	1.0
70.32783	0.6
70.98108	2.8
71.04996	1.5
71.06898	0.7
71.95271	0.9
72.04524	0.7
72.08134	1.9
72.96035	0.6
73.02906	4.2
74.97608	0.6
76.27227	0.5
81.03397	3.5
82.06557	0.6
83.06058	0.6
84.08128	22.5
84.96026	1.2
85.02892	12.8
85.03390	1.0
85.07664	0.7
86.06071	0.7
86.09698	2.4
87.04478	1.6
88.99158	1.2
91.03960	0.9
95.06086	1.1
96.08136	0.7
97.02885	7.7
97.07652	1.2
98.06049	8.3
98.20794	0.8
98.97565	14.3
99.04446	1.8
100.07626	0.8
101.00854	1.1
104.59507	0.6
106.06541	6.0
108.08090	0.8
109.02877	1.8
110.01237	0.8
110.07185	2.1
110.97562	1.3
112.08714	18.8
112.09517	1.0
112.99137	1.6
114.02590	0.6
114.09161	3.9
114.10307	0.8
115.08669	2.0
116.07085	2.8
116.98616	7.5
117.02020	0.7
119.01897	4.5
124.03933	1.1
124.07578	14.0
124.95527	0.7
125.07948	0.6
127.03907	5.1
128.02315	0.9
128.07062	0.6
128.98587	3.3
130.08629	28.3
130.09621	1.2
131.00169	2.8
131.01863	1.4
131.12933	1.7
133.03435	2.0
134.99660	3.8
135.00546	0.5
135.03130	0.5
136.08688	2.2
137.02866	0.6
138.05527	0.7
140.02267	1.3
140.07188	0.8
140.08202	2.0
142.08635	1.1
142.96529	1.6
143.00191	1.0
143.01831	0.8
144.99840	1.0
145.03378	0.8
145.04997	2.8
146.08102	0.9
146.99593	3.0
149.01190	1.2
149.02863	2.1
156.03284	0.9
156.07603	0.7
157.10829	6.3
158.09239	5.2
158.99654	2.4
160.09732	0.8
160.97525	1.1
161.01212	2.0
161.02975	1.9
162.99146	0.7
163.04507	0.6
163.50488	0.6
165.00739	0.8
165.13943	0.9
168.03554	2.2
168.99866	0.8
170.05052	0.8
170.99597	0.9
171.01259	0.7
172.97592	1.0
173.01280	0.7
173.02890	1.3
174.04460	0.7
174.99249	1.0
175.11890	13.0
175.13316	1.0
176.03304	1.6
177.00717	1.7
177.02513	0.8
177.04118	6.2
181.13318	0.7
182.09302	0.7
183.02325	0.5
183.05237	0.8
184.04871	0.6
184.97488	0.6
185.02904	0.9
186.04408	1.9
187.00926	0.9
187.02753	0.6
188.97067	4.3
189.00795	1.4
189.02461	1.4
190.98625	1.4
191.02290	1.2
191.03944	0.6
192.04585	1.1
193.00203	1.7
201.00764	1.0
202.98666	1.4
203.02235	1.1
203.03967	0.7
204.02864	1.0
204.05408	2.0
205.00171	0.9
205.01930	0.7
206.04466	0.6
206.06732	0.6
206.13040	0.7
206.98140	2.6
207.01721	1.2
208.14456	1.3
209.12822	2.3
210.11241	2.5
214.05791	0.7
215.00356	0.7
219.01767	2.3
219.03645	0.7
220.04025	1.0
220.06068	1.2
220.99757	1.8
221.05081	0.8
222.06470	1.7
223.01097	1.2
227.13875	9.9
230.98096	2.4
231.03636	0.9
232.99754	0.9
237.02719	3.3
240.03792	1.3
241.04631	1.3
244.08527	0.8
248.99330	0.8
251.04323	0.9
252.13371	1.2
254.14844	0.6
262.09753	0.9
263.00674	1.6
265.05676	0.7
268.17773	3.7
269.16037	9.5
271.05750	1.4
273.00922	0.7
279.03983	0.7
281.01767	1.4
286.12946	5.2
286.18704	96.7
287.08893	1.4
287.13434	2.2
287.19034	2.6
295.06973	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	286.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05512	2.0
56.96572	2.0
57.03439	1.9
59.04998	2.6
60.05648	2.7
60.32617	0.7
61.02916	5.4
68.05022	1.1
69.03436	0.8
69.89738	4.0
69.90154	1.3
70.06580	41.0
71.04973	5.3
72.08141	1.5
73.02924	0.8
73.06529	0.7
79.05481	1.9
79.46002	0.6
80.05030	1.0
81.03411	0.7
81.04535	0.8
81.07041	11.4
82.05330	1.8
83.06093	10.2
84.08137	4.3
85.02891	3.6
93.04488	5.1
95.06080	13.9
97.02892	2.1
98.06042	2.0
98.20558	0.8
98.97559	3.1
106.02882	0.7
107.06072	2.1
110.07148	100.0
110.94611	0.7
111.05521	0.8
111.07514	1.6
112.07587	18.4
112.08729	6.9
113.09644	0.7
116.07008	0.8
116.98615	1.8
120.06783	0.7
121.07626	1.9
124.03078	1.3
124.03938	17.3
124.07524	1.1
130.08618	6.2
130.09531	1.0
140.07045	14.2
140.08087	0.5
145.04912	0.8
147.04346	1.0
155.04610	1.5
156.03328	1.3
156.07664	13.5
157.10867	1.7
158.09247	1.1
158.99677	1.0
163.12283	53.0
164.12674	1.3
166.06120	2.6
174.04326	1.8
175.11899	3.5
177.00734	1.4
186.04361	4.8
190.13365	7.4
192.05359	0.8
193.13426	1.3
204.05449	3.1
208.14404	11.6
210.11505	0.8
210.15884	1.7
212.15103	1.1
219.11157	1.6
225.98378	0.6
227.13876	1.8
236.13873	8.4
237.02638	1.0
240.17068	7.2
241.15347	0.9
254.14978	21.1
255.15324	0.9
268.16458	1.0
269.15909	2.1
286.09396	5.0
286.17542	92.3
287.13525	0.8
287.17841	5.8
309.08234	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	286.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01895	0.2
56.96581	0.2
60.05637	0.7
61.02912	0.2
61.32511	0.3
69.03410	0.7
70.06583	6.4
71.01563	0.3
71.01909	0.4
72.08169	0.3
72.55820	0.2
73.02931	0.3
75.51695	0.2
78.03450	1.2
80.05016	2.3
81.03401	1.0
83.11929	0.2
84.08125	1.4
85.02879	2.0
86.76416	0.2
96.04478	1.8
97.02895	0.7
98.06059	0.3
98.97550	0.4
99.04484	0.3
106.02904	6.8
109.02871	1.1
110.07136	0.4
112.07578	0.6
112.08722	1.2
116.07095	0.4
116.98600	0.3
124.03937	100.0
125.04269	0.8
127.03893	0.7
130.08574	1.3
140.03439	0.2
140.07004	0.4
173.09195	0.4
175.11873	1.0
227.13786	0.3
248.40607	0.3
250.07030	2.1
268.08063	1.1
269.16147	0.5
286.09183	40.8
286.18710	5.2
287.09476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1434
Annotation	(R)-Coclaurine
Peak:m/z	Relative Intensity
50.06864	0.3
52.68399	0.3
53.03939	0.7
54.02036	0.3
55.01851	0.3
70.07530	1.6
72.08153	0.4
79.05476	1.1
89.19446	0.3
91.05486	1.5
93.07047	0.6
95.04956	1.0
98.20596	0.3
103.05454	0.5
107.04942	100.0
108.05285	1.3
115.05439	10.7
117.06997	1.1
119.04911	1.1
121.02895	1.6
121.06488	3.8
131.04912	2.1
137.05954	9.0
143.04904	15.7
144.05693	0.6
145.05313	0.5
145.06473	8.3
147.04401	0.5
147.08063	0.6
151.07565	1.0
160.05199	1.1
162.06700	0.6
163.07477	1.3
163.97180	0.4
165.06967	0.9
166.07736	0.8
175.07532	7.4
176.08170	0.4
178.08629	5.4
179.08815	0.4
181.06465	1.2
181.10164	0.7
183.08128	0.4
187.57671	0.6
190.07751	0.7
191.08517	2.5
192.10252	0.4
194.07275	3.2
195.07973	0.8
197.05986	0.4
201.91763	0.3
207.08069	0.6
208.08801	0.5
209.09598	8.7
210.06821	0.3
211.07692	0.4
211.11235	0.4
218.07306	0.4
219.08018	1.7
222.06610	0.7
236.08286	0.9
237.09082	8.8
238.09741	0.7
239.06979	1.9
240.07777	0.6
251.10591	0.8
252.59799	0.4
253.08391	0.3
254.09244	1.5
254.61342	0.4
261.09872	0.4
268.61142	2.1
269.11697	28.3
269.32162	0.3
270.11926	0.7
277.12375	0.9
285.63687	0.3
286.14340	72.4
287.05515	0.4
287.14661	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	286.0917
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03933	0.3
57.03413	0.5
60.05628	0.7
68.05001	0.3
69.03421	1.1
70.06582	4.0
71.28719	0.5
71.29062	0.3
73.02901	0.4
78.03439	2.5
80.05002	2.9
81.03400	1.8
84.08128	1.2
85.02892	4.5
86.09703	0.3
91.17113	0.2
96.04474	1.8
97.02850	0.9
99.04433	0.4
106.02898	13.3
109.02840	1.8
112.08702	0.6
116.07075	0.5
124.03931	100.0
125.04270	0.8
127.03886	1.3
128.20747	0.3
130.08607	1.0
175.11865	0.7
189.40057	0.3
211.06979	0.3
227.13849	0.4
250.07100	5.6
268.08090	3.1
269.16217	0.3
286.09174	48.7
286.18658	3.1
287.09470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2207
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05502	23.2
57.03431	3.7
57.07061	5.4
58.17136	3.0
67.05495	28.2
67.80038	3.1
69.03429	4.0
69.07054	44.5
71.04980	10.8
71.80219	4.4
79.05490	16.9
81.03412	4.0
81.07046	40.2
83.08612	13.9
85.90675	3.5
91.05472	25.7
93.07025	31.1
95.04959	10.3
95.08598	47.0
97.06518	17.6
97.10132	5.7
104.60699	3.5
105.07021	63.9
106.07326	3.7
107.08575	38.5
109.06494	27.3
109.10132	25.8
111.08070	4.9
111.11722	2.9
117.06995	6.7
119.08564	67.4
121.06453	9.7
121.10133	32.9
123.08047	4.0
123.11705	20.9
131.08557	12.2
133.10110	46.7
135.08011	9.8
135.11674	12.3
137.09554	3.7
137.13272	3.8
143.08539	7.9
144.90385	3.3
145.10068	22.7
146.07278	7.7
147.08072	4.5
147.11667	25.3
149.09587	5.9
149.13206	5.1
157.10068	6.9
159.11716	12.8
161.09601	100.0
161.13240	4.4
167.96579	3.4
169.10091	7.9
171.11729	6.9
173.13242	8.8
175.11150	4.2
175.14799	51.7
177.16379	11.6
185.13281	10.9
193.12193	5.0
193.15773	18.4
197.13242	9.6
209.46625	3.7
211.14893	6.5
215.17989	7.8
267.20987	14.7
267.71274	3.8
280.16794	3.4
285.22198	25.7
285.25653	8.6
285.29498	5.2
301.16571	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01860	2.3
55.05511	5.4
57.03423	6.1
67.05505	9.9
69.03422	2.3
69.07064	1.9
69.76932	2.3
69.77332	5.7
70.06576	1.6
71.04974	2.2
79.05484	10.5
81.03409	100.0
81.07047	12.2
82.03748	1.5
83.04962	3.9
83.08608	20.5
84.04482	1.0
85.02878	3.6
86.09673	1.0
91.05472	22.0
92.05804	1.1
93.07028	7.8
95.04388	1.8
95.04957	25.9
95.08594	2.8
97.02898	2.6
97.06523	1.5
97.10186	1.2
98.20684	1.7
102.04672	1.6
103.05401	1.0
105.07021	11.4
107.04948	12.0
107.08557	2.8
109.06469	3.7
109.10151	1.7
111.04433	1.7
111.08068	11.7
115.05433	5.3
116.06221	1.3
116.14773	0.9
117.07014	1.7
118.04179	1.6
119.04928	3.3
119.08575	9.9
121.06500	2.1
121.10103	5.3
122.03530	0.9
123.08070	1.3
124.03967	1.4
126.09171	1.2
129.06975	6.3
130.04141	3.7
131.04910	4.1
131.08560	6.4
133.06453	2.7
133.10127	4.1
137.05925	2.9
142.07758	2.3
143.04898	3.5
145.06477	1.1
145.10078	1.5
146.06004	1.0
147.04396	7.5
147.08020	2.3
147.11681	7.7
149.09587	6.1
149.55241	1.2
151.07501	3.5
153.06960	1.4
157.06474	4.9
157.10107	7.8
161.05948	2.9
162.05522	1.5
162.06744	11.4
163.07188	1.2
164.05676	1.0
165.07048	2.4
165.12767	1.3
171.06204	5.9
171.56322	1.7
175.07484	3.6
175.11157	12.7
177.92831	1.1
179.08569	2.6
179.56242	1.7
180.09196	1.1
181.06395	1.6
184.01132	0.9
187.07518	13.9
187.57724	4.1
191.08537	3.2
192.09300	4.4
193.06444	1.8
193.12224	51.6
194.07179	2.3
194.12509	1.6
195.07990	3.0
195.58878	1.7
196.08849	1.6
197.05901	1.3
199.07545	2.6
201.05435	1.2
207.08080	2.5
208.08812	4.4
209.09370	0.9
210.06693	2.1
211.07483	3.6
211.09488	1.2
211.13321	5.5
212.08342	1.6
213.09123	1.8
219.08006	2.2
220.08763	2.4
221.06021	2.4
222.06641	1.2
222.08653	1.9
223.07510	2.3
224.08170	1.3
225.09038	3.6
229.04851	4.8
235.07510	1.8
236.08281	3.3
236.58392	1.0
237.09038	1.6
238.09792	4.5
244.58594	1.6
252.09520	7.3
252.59744	2.6
253.08531	5.0
254.11217	1.7
254.61269	1.5
257.04373	2.6
260.59598	4.5
261.10068	1.0
267.10052	1.2
267.15866	16.0
268.10910	35.3
268.61038	12.5
269.11313	4.1
276.62277	15.6
277.12463	5.7
285.03940	11.5
285.11246	4.4
285.13788	2.3
285.16846	5.5
285.63763	1.9
286.04272	1.2
286.14392	1.4
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	Hysterone D
Peak:m/z	Relative Intensity
53.03931	3.3
55.01857	2.0
55.05504	8.6
57.03155	0.8
57.03431	11.2
65.03949	0.6
67.05498	13.5
69.03416	3.0
69.07061	5.0
71.04982	2.4
71.19685	1.9
75.04483	0.8
75.39972	0.7
79.05479	13.3
81.03407	100.0
81.07043	17.5
82.03732	1.5
83.04959	5.6
83.08610	22.4
85.02899	9.8
85.06543	1.8
91.05463	18.0
91.06030	1.1
93.07032	10.9
93.29853	0.6
94.37871	0.6
95.04953	27.3
95.08588	5.7
97.02888	2.5
97.06531	2.8
97.10157	1.3
99.08077	0.7
105.07021	13.0
106.07362	1.3
107.04940	6.0
107.08564	3.9
109.06503	2.9
109.10147	2.9
111.04443	2.1
111.08067	12.8
113.05993	1.2
115.05452	2.2
117.07011	1.5
119.04922	1.9
119.08557	13.0
121.06515	2.1
121.10130	6.6
123.08053	2.0
123.11687	1.8
124.03988	0.9
125.09603	0.7
129.07002	8.4
130.04138	0.8
131.04895	1.2
131.08562	7.0
133.06502	2.2
133.10115	4.9
137.05995	1.3
137.09647	1.2
142.07758	2.4
143.04903	1.3
144.05580	0.7
145.10138	2.1
147.04408	1.4
147.08051	2.6
147.11674	13.4
149.09598	5.2
151.07585	1.4
152.35361	0.8
157.06500	2.8
157.10107	10.9
161.05911	1.1
162.06757	2.9
165.06964	2.2
165.12784	3.3
171.06282	1.2
175.07524	1.3
175.11169	10.8
181.06522	1.2
182.07355	0.8
187.07515	4.3
192.09406	1.0
193.06520	2.0
193.12219	59.0
194.07004	0.8
194.12527	3.2
207.08057	0.9
208.08891	1.6
210.06793	2.2
211.07716	0.8
211.13268	14.1
211.15126	1.1
213.09241	0.8
221.05965	2.6
222.06715	0.7
222.08667	1.0
225.08994	3.6
229.14200	1.6
235.07538	0.8
236.08261	1.8
252.09651	1.4
253.08641	5.7
260.59805	1.0
267.15869	19.1
268.10895	11.3
268.61087	2.7
276.62311	4.1
277.12424	1.7
285.10898	4.5
285.16870	17.5
285.21939	1.4
285.63791	1.3
286.17261	2.0
301.61243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03920	2.3
54.69603	0.9
55.01857	2.4
55.05499	13.3
57.03425	21.3
57.07057	1.4
59.94707	1.1
63.00056	1.0
65.03917	1.6
67.05126	1.5
67.05491	29.1
69.07053	17.8
70.67834	3.3
71.04987	7.6
71.09460	1.0
73.06561	1.0
79.05018	1.0
79.05471	18.2
80.85652	0.9
81.03383	2.9
81.07040	100.0
83.04963	8.2
83.08606	9.8
83.97923	1.1
85.06516	7.9
91.05467	29.8
93.07024	13.6
95.04926	5.6
95.08581	20.9
97.06530	9.1
97.10112	1.1
99.08065	4.1
101.06042	1.3
105.07008	38.1
107.04922	3.5
107.08575	14.3
109.06502	8.3
109.10131	3.0
110.98219	1.0
111.08041	2.3
112.51302	0.9
113.05941	1.6
115.05398	2.7
117.07065	1.0
118.54936	1.1
119.08557	30.4
121.10119	21.7
123.08018	5.4
123.11688	31.9
124.12029	1.5
127.07540	3.3
129.06963	2.6
131.04909	1.4
131.08527	2.4
133.10100	3.5
137.13235	3.6
141.09047	1.4
143.04890	1.7
145.10065	1.6
147.04361	1.6
147.11661	82.1
148.11980	2.3
149.09592	1.2
151.07475	1.8
153.71162	1.0
157.06497	2.1
157.10109	3.7
161.05946	3.1
162.06725	3.9
165.06987	3.2
165.12729	48.5
171.06186	2.4
175.07504	2.7
175.11171	4.2
183.13753	4.0
187.07541	6.7
187.57602	1.2
193.06386	1.9
193.12210	5.2
195.08029	1.1
208.08788	1.3
210.06801	2.1
211.13235	1.9
220.08710	1.3
221.05952	2.8
225.09042	6.7
229.14270	9.1
233.08707	1.2
236.08202	2.0
252.09499	1.5
253.08545	10.4
254.09065	1.5
267.15884	7.0
268.10876	14.5
268.61057	3.3
276.62222	4.7
277.12311	1.9
285.11258	8.1
285.16895	74.8
286.17184	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03933	3.1
55.01852	2.7
55.05501	7.4
57.03428	6.4
67.05497	12.2
69.03416	1.8
69.07056	3.2
69.61128	3.5
69.61560	2.1
71.04974	1.8
77.03962	0.8
78.50423	0.5
79.05029	0.8
79.05482	12.5
81.03407	100.0
81.07038	13.1
82.03723	1.5
83.04974	5.4
83.08607	21.4
85.02888	4.0
85.06517	1.2
91.05466	17.4
92.05815	0.7
93.07029	7.8
95.04955	27.1
95.08598	3.5
97.02880	2.9
97.06549	1.5
97.10155	0.7
98.20712	1.3
102.04684	1.0
105.04480	0.7
105.07010	10.5
107.04957	8.8
107.08588	3.3
109.06535	2.0
109.10162	1.5
111.04427	1.6
111.08076	10.8
113.06018	0.9
115.05467	3.2
117.07069	1.2
119.04950	1.7
119.08562	11.8
121.06522	2.1
121.10131	5.1
123.04362	0.6
123.08072	1.7
123.11661	0.7
129.06979	9.2
130.04156	1.5
131.04942	1.2
131.08563	7.9
133.06508	3.3
133.10091	4.0
135.08063	1.1
137.05998	1.2
137.09602	2.1
142.07806	1.7
143.04912	1.0
145.10106	1.8
147.04405	2.2
147.08034	2.7
147.11674	8.5
148.03491	0.6
149.09615	5.1
151.07550	1.7
155.08496	0.7
157.06506	2.3
157.10092	10.1
157.56769	0.7
161.05992	2.1
162.06743	3.8
165.07024	2.2
165.12787	3.2
167.08574	0.8
171.06264	2.1
175.07585	2.0
175.11163	12.5
176.11566	0.6
181.06534	0.7
187.07510	4.5
187.11296	0.6
187.57751	1.4
191.08548	0.8
192.09346	2.0
193.06491	1.4
193.12215	52.0
194.12584	2.5
195.07961	0.9
196.08861	1.2
197.09213	0.7
199.14804	0.8
207.07983	1.3
208.08842	1.8
209.09319	0.6
210.06795	1.4
211.07460	1.2
211.13281	8.3
219.08182	0.9
220.08823	0.9
221.05957	3.3
224.08228	1.0
225.09021	5.0
229.14336	0.8
235.07518	1.0
236.08316	1.6
238.06129	0.9
252.09674	2.6
252.59921	1.6
253.08539	8.9
254.08931	1.0
254.11304	1.4
260.59973	1.1
267.15881	17.0
268.10916	13.3
268.16055	0.8
268.61093	3.0
276.62253	6.5
277.12473	1.4
285.10965	5.3
285.16556	5.6
285.22012	0.8
286.14423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01852	2.4
55.05498	5.9
56.19622	0.6
57.03428	5.4
60.05584	0.5
67.05492	12.2
69.03423	2.6
69.07060	3.6
70.06573	0.6
71.04978	2.4
75.04493	0.8
79.05476	11.9
81.03405	100.0
81.07043	12.8
82.03751	1.6
83.04961	4.5
83.08604	18.9
84.04477	0.7
85.02892	4.0
85.06541	1.0
91.05462	15.3
93.07030	8.4
95.04952	26.0
95.08090	0.6
95.08591	3.9
96.64442	0.5
97.02891	2.5
97.06513	1.6
97.10147	1.4
102.04701	0.6
104.33844	0.7
105.07008	11.1
107.04930	9.0
107.08557	3.1
109.06504	3.7
109.10144	2.0
111.04434	2.0
111.08061	11.7
115.05453	2.4
117.07032	1.9
119.04935	1.0
119.08564	9.7
120.08904	0.5
121.06496	1.7
121.10129	5.4
123.08065	1.0
123.11675	1.0
124.03931	0.9
128.06212	0.8
129.06993	7.3
130.04126	1.8
131.04881	1.5
131.07613	0.9
131.08537	6.9
133.06494	2.9
133.10100	4.6
135.11688	0.9
137.06009	1.4
137.09650	1.0
142.07780	2.1
143.04918	1.4
144.05736	0.9
145.10127	1.5
146.05946	0.6
147.04396	2.6
147.08066	4.0
147.11659	8.5
149.09601	4.4
151.07544	1.5
157.06482	3.5
157.10109	10.1
157.56715	0.5
161.05989	2.1
162.06773	4.3
165.06961	2.8
165.12779	2.3
168.08148	0.9
171.06232	2.0
175.07574	2.0
175.11162	13.4
176.11491	0.6
181.06439	0.7
182.07353	0.6
185.13295	0.6
187.07512	6.2
187.57715	0.9
191.08517	1.3
192.09329	1.2
193.06506	1.6
193.12212	55.1
194.12523	2.7
195.58955	0.7
196.08788	0.7
199.07550	0.9
207.08075	1.0
208.08836	2.4
210.06816	2.2
211.07512	1.0
211.13232	7.2
211.14775	0.8
212.08530	0.6
213.09082	1.0
219.08043	0.9
220.08884	1.2
221.05975	2.1
222.08559	0.7
225.09044	4.4
229.14310	0.8
235.07524	0.9
236.08304	1.2
237.09157	1.1
238.06323	0.8
238.09808	1.1
252.09612	1.2
252.59778	0.6
253.08557	6.4
254.08969	0.7
254.11394	0.9
260.60172	0.6
267.15872	16.9
268.10895	11.7
268.13126	1.0
268.15900	1.0
268.61102	3.0
269.08411	0.6
269.11200	1.3
276.62265	6.0
277.12485	2.0
285.07794	1.0
285.10928	5.2
285.13678	1.3
285.16644	6.4
285.22137	2.5
285.29807	0.6
286.14349	0.7
286.17258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03924	4.2
54.36037	1.9
55.01862	5.0
55.05503	28.4
55.12357	1.8
57.03432	53.0
57.07060	6.2
59.04979	2.3
63.00004	2.2
64.48165	2.0
67.05492	42.0
69.03419	6.2
69.07062	13.1
69.64664	13.6
69.65089	4.7
71.04979	13.8
71.08617	4.1
79.05480	45.8
81.02927	4.4
81.03408	85.8
81.06597	3.7
81.07045	61.0
83.04969	25.3
83.08611	39.1
85.02895	94.2
85.06515	4.8
91.05472	48.0
93.07027	34.0
95.04952	42.5
95.08596	26.6
97.02856	5.6
97.06497	9.7
97.10145	5.3
105.07018	41.0
106.79051	2.0
107.04958	12.2
107.08582	17.4
108.08958	2.3
109.06493	8.8
109.10142	7.3
111.04419	4.1
111.08070	20.9
113.05991	8.0
117.07020	2.8
118.83219	1.9
119.08565	37.5
121.06474	3.5
121.10139	21.6
123.08029	6.4
123.11689	6.6
125.09605	3.1
129.06979	19.4
131.08560	17.8
133.06477	3.1
133.10100	19.2
137.09622	3.1
142.07777	5.6
144.93823	1.8
145.06479	2.2
145.10117	3.6
145.21854	2.0
147.08014	3.0
147.11674	25.6
149.09622	10.5
157.10100	25.2
165.12726	4.5
166.84871	2.0
175.11157	29.3
177.18843	2.3
193.12218	98.9
194.12532	3.3
197.13371	3.0
211.13266	78.5
212.13577	4.9
225.09076	2.6
253.08611	4.6
263.46304	2.1
267.15939	2.3
279.41461	2.4
285.16940	100.0
285.21979	4.2
285.24478	4.4
285.29446	2.8
285.33368	6.8
286.14304	4.8
286.17252	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.22269	2.2
53.03922	2.9
53.07034	2.2
55.01855	4.8
55.05507	20.8
57.03431	41.6
57.07068	2.5
67.05192	2.6
67.05495	34.5
69.03392	8.3
69.07059	11.1
71.04959	10.1
71.79636	4.4
79.05477	31.6
81.03409	79.4
81.06598	3.0
81.07046	45.1
81.16546	2.0
83.04967	19.2
83.08169	2.6
83.08609	36.9
85.02894	77.9
85.06538	3.2
91.05466	40.8
93.07031	27.3
95.04961	35.3
95.08599	21.2
97.02892	5.0
97.06480	7.1
97.10114	5.1
98.98440	2.3
105.07014	31.7
107.04923	14.0
107.08586	15.2
109.06465	6.5
109.10104	8.1
111.08066	16.1
113.05968	8.6
119.04875	2.4
119.08560	30.6
121.10138	14.9
123.11656	5.1
129.06973	16.0
131.08551	16.9
131.86969	2.5
133.06380	3.3
133.10133	17.6
137.05933	2.4
137.09573	3.3
142.07770	4.1
143.04959	3.2
145.10060	3.7
147.08043	3.0
147.11655	20.9
149.09538	8.7
157.10120	22.1
165.12692	9.2
169.10074	2.5
171.01306	3.4
174.27530	2.4
175.11206	23.8
181.04875	3.6
183.11656	3.6
193.12227	100.0
194.12526	5.4
197.13164	3.6
209.13245	2.5
211.13264	86.2
212.13626	4.0
239.17831	7.6
253.08357	6.1
267.15762	3.0
268.10831	10.7
268.61166	2.7
276.62216	3.0
285.16837	91.7
285.21982	7.5
285.30099	4.7
285.33340	10.5
286.17139	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.91825	2.1
53.03916	4.9
55.01853	5.2
55.05264	2.1
55.05500	25.1
56.43702	1.7
57.03426	47.4
57.07044	5.7
63.00024	2.0
67.05493	45.2
69.03385	5.3
69.07057	12.9
70.15094	7.1
71.04991	12.3
75.36993	1.7
79.05482	33.1
81.03405	78.4
81.07045	55.2
82.03731	1.7
83.04556	2.1
83.04969	18.9
83.08603	35.6
85.02894	77.3
85.06510	5.0
87.04453	3.2
91.04922	2.8
91.05469	48.5
93.07030	24.9
95.04960	38.3
95.08099	1.7
95.08604	21.6
97.02841	5.1
97.06499	7.7
97.10130	6.9
98.98435	2.3
99.08023	2.2
103.03818	1.6
105.07018	35.6
107.04966	9.5
107.08587	14.5
109.06494	8.6
109.10159	8.3
111.04383	6.3
111.08070	19.3
113.05976	5.7
117.06959	3.5
119.08562	28.3
121.10124	14.0
123.08031	2.4
123.11658	8.0
125.09596	2.9
127.07491	2.4
129.06992	15.7
131.08546	19.1
133.06433	2.9
133.10106	15.9
137.05959	2.0
137.09605	3.3
137.13268	2.0
142.07707	5.3
143.08527	2.0
145.10065	5.1
147.07979	5.1
147.11667	28.6
149.09627	8.5
155.08505	3.0
157.10104	24.9
159.11667	3.2
165.12686	7.4
169.10092	4.1
171.01367	2.2
171.06270	2.5
175.11166	24.4
181.04950	2.6
187.07536	2.2
192.30588	1.7
193.12221	91.5
194.12517	4.0
211.13266	74.7
212.13548	4.2
229.12155	2.3
239.17830	7.2
253.08429	1.8
254.66772	1.7
267.15866	4.1
268.10867	3.2
285.11465	4.0
285.16849	100.0
285.22107	5.6
285.29767	2.7
285.33365	4.3
286.14465	1.8
286.17172	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.05509	24.9
57.03158	4.0
57.03429	56.2
57.07058	7.4
63.00023	4.1
67.05495	41.0
69.03419	7.4
69.07050	21.2
71.04969	11.8
72.08157	3.1
79.05491	34.7
81.03403	92.3
81.07046	51.3
83.04970	18.8
83.08604	33.5
85.02893	91.2
85.06551	3.9
91.05463	58.3
93.07025	36.0
95.04951	43.6
95.08602	24.2
97.02892	4.6
97.06528	6.8
97.10155	6.0
105.07014	46.3
107.04950	14.3
107.08599	17.1
109.06505	12.1
109.10150	8.1
111.04427	5.5
111.08052	24.8
113.05978	8.0
115.05396	3.6
117.06973	5.9
119.08562	33.0
121.06476	4.4
121.10131	21.0
123.08048	3.7
123.11707	7.0
129.06970	11.4
131.05038	4.2
131.08559	18.7
133.06441	5.0
133.10135	16.2
135.04433	7.0
135.08023	4.0
137.13263	3.6
142.07790	5.3
143.08403	3.6
145.10118	6.1
146.10468	3.2
147.04401	3.3
147.08012	5.6
147.11658	34.2
149.09569	11.3
157.06419	3.6
157.10114	21.4
165.06952	3.9
165.12717	7.2
169.10083	4.2
175.07336	4.0
175.11180	28.8
181.06461	3.7
185.13332	3.0
187.07515	5.6
193.12216	100.0
211.13268	84.6
217.57718	2.8
225.09068	6.0
229.09641	2.9
239.17903	10.5
253.08565	8.5
268.10886	13.5
268.61053	5.9
269.11255	4.7
285.11325	8.1
285.16794	94.6
285.22095	12.6
285.29684	5.6
286.14209	3.7
286.17267	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.7
55.07627	2.8
57.03427	49.7
57.07057	6.5
63.00024	5.4
67.05498	38.1
69.03427	6.2
69.07055	16.7
70.26428	3.2
71.04977	14.4
71.58791	3.1
79.05487	35.3
81.03405	98.3
81.07049	49.7
82.55742	3.5
83.04969	14.5
83.08603	32.3
85.02891	81.1
85.06527	3.5
91.05463	41.6
93.07022	22.2
95.04954	39.3
95.08607	24.0
97.06525	7.5
97.94464	3.1
98.98461	6.3
105.07011	40.9
107.04912	15.4
107.08586	14.2
109.06525	8.1
109.10156	10.5
111.08059	18.3
113.05983	5.8
115.05451	3.5
117.01317	3.8
119.04938	3.4
119.08574	30.0
121.10110	23.0
123.08028	5.1
123.11698	5.1
129.06999	14.8
131.08510	15.4
133.06497	5.3
133.10135	15.3
135.04413	7.8
142.07719	4.1
143.08562	5.1
145.10120	7.7
147.04395	5.1
147.11665	37.3
149.09621	7.3
155.08513	3.2
157.10130	22.5
162.06660	4.0
165.12759	7.1
169.10109	5.0
171.11662	4.0
175.07570	3.4
175.11189	29.1
176.50854	2.9
178.69934	3.1
181.04916	9.4
183.11652	7.0
187.07600	5.5
193.12215	100.0
197.13289	5.7
211.13269	74.5
211.15149	5.8
219.07990	3.6
220.18898	3.4
229.14339	5.1
236.08284	4.7
239.17941	14.6
253.08614	8.2
267.21237	4.7
268.10721	16.8
268.60806	6.5
276.62146	6.9
285.04337	3.9
285.07596	4.7
285.11148	5.3
285.16800	97.4
285.22101	10.2
285.29770	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	284.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01970	1.2
53.03928	2.5
53.40330	1.3
55.01860	2.0
55.05494	3.7
55.08947	1.4
56.77161	1.5
57.03419	5.1
57.07076	2.0
60.05638	2.3
61.02908	6.7
63.00039	2.1
67.05479	1.9
68.43266	1.5
69.03415	12.8
69.07059	19.6
69.95305	10.1
70.06577	7.3
71.04970	3.4
71.08612	2.2
72.08144	13.3
73.02891	3.2
79.05492	2.2
80.04987	5.4
81.03414	8.9
81.07060	2.0
83.04946	1.9
84.08115	6.7
85.02895	65.8
86.09692	2.8
87.04486	2.1
87.08092	100.0
91.03928	2.9
91.05453	2.9
95.04913	3.4
96.05265	1.6
97.02873	17.1
97.07631	3.8
98.06022	1.8
98.98470	2.4
99.04424	3.8
107.04915	1.7
107.23893	1.6
108.08065	1.6
109.02872	8.5
110.07130	2.0
114.10271	7.3
119.04907	5.2
120.08131	2.0
121.02843	17.9
122.02345	7.9
122.03180	17.6
123.04360	1.6
124.45734	1.2
127.03911	15.6
129.10251	1.4
130.28137	1.4
131.04945	1.6
131.08557	2.0
131.12897	4.2
133.02855	1.9
134.05998	2.7
135.04337	1.7
136.06252	2.0
139.03882	2.7
140.03342	7.1
145.04935	21.3
146.05994	2.4
147.04379	18.9
151.03888	2.4
152.07108	1.8
154.03127	1.7
156.07686	1.7
161.05998	3.2
163.03905	7.2
163.05992	5.7
165.06989	2.2
167.08478	1.8
168.01344	1.7
181.04861	2.1
181.06416	1.5
182.07166	1.4
193.06387	2.1
204.10043	2.0
207.08162	2.2
213.12331	1.8
218.11713	2.4
219.39565	1.4
225.09081	4.9
233.05873	2.1
234.11057	1.8
235.07455	3.0
253.08545	8.6
256.16595	7.9
266.07092	2.0
266.10147	2.5
267.14423	1.8
270.15652	3.4
277.16446	4.3
284.07657	1.6
284.12943	7.3
284.15070	7.2
284.29468	16.8
285.03873	2.0
285.11176	4.3
285.16281	12.7
302.12244	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	284.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	0.9
56.04991	1.1
58.99543	1.1
69.46771	3.6
69.47198	3.9
72.08114	1.2
76.02159	2.1
76.03941	1.9
79.05403	1.3
81.03407	3.8
82.25742	0.8
83.08556	0.8
84.04475	3.7
86.09618	1.2
91.05402	1.2
93.06953	0.9
95.04890	1.0
98.09614	1.9
99.87559	0.8
107.04887	1.6
116.01606	1.4
123.22029	0.7
130.04916	1.2
137.05966	1.0
142.03229	0.9
146.06000	1.2
147.04340	1.0
156.08398	1.3
162.02196	1.9
165.06888	2.4
178.07629	6.5
179.04820	1.2
179.07097	1.2
179.08514	11.1
181.06461	1.8
187.07582	1.0
189.06979	2.7
190.07701	2.2
191.08441	3.3
193.06439	4.9
193.12178	3.3
195.07857	0.9
196.08749	2.9
197.09509	0.9
205.06451	4.9
206.07236	10.6
207.08017	45.3
208.08369	2.7
210.06772	1.3
217.06387	2.7
220.05112	1.0
221.09624	1.6
222.06805	1.1
223.07428	2.3
224.08279	16.6
225.08888	2.6
233.05865	1.1
234.06729	5.7
235.07501	71.4
236.07951	5.2
240.15852	1.1
249.08990	1.5
252.07782	59.3
253.08258	5.4
259.11124	3.0
261.10208	1.1
267.10117	100.0
268.10541	7.5
275.61429	3.7
276.11661	1.6
276.62079	0.9
284.12769	43.9
284.29391	1.3
284.63150	0.8
285.13132	2.6
289.04416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78551	0.9
55.05494	2.7
57.03423	2.3
58.31129	0.8
67.05487	2.1
68.99775	11.5
69.07050	2.2
70.06587	1.2
70.48102	3.7
79.05482	13.0
81.03396	0.9
81.07034	3.1
82.07395	1.0
83.04958	1.4
83.08572	0.9
84.08099	1.3
91.05470	3.5
93.07018	2.9
95.04968	1.7
95.08589	1.9
96.08105	1.3
96.08938	0.9
101.02361	100.0
102.02695	1.0
103.05453	59.6
103.95441	0.9
104.05721	1.6
105.07019	2.6
107.04943	33.4
107.08588	1.2
108.08108	0.9
109.10110	1.1
111.04404	1.2
114.09150	5.9
119.03394	11.3
119.08540	1.3
121.06498	1.4
121.10086	1.0
123.11720	1.2
131.04907	60.5
132.05235	1.1
135.11600	0.9
137.05911	1.1
143.08569	1.0
145.10098	1.3
147.04417	6.9
149.05960	30.3
151.07553	1.2
157.06496	1.7
160.09683	5.0
161.05966	2.3
162.06772	2.2
163.67938	0.9
164.11610	1.1
165.07025	2.4
167.07031	1.4
171.06276	1.0
176.07111	1.4
187.07521	2.3
189.05623	1.7
190.08643	1.2
191.10574	1.0
193.06477	1.5
197.09459	1.0
203.06970	1.1
208.08951	1.0
210.06702	2.5
221.06046	2.5
221.08037	33.3
222.08366	1.6
223.07501	1.1
225.09135	4.1
228.13040	1.9
241.08455	1.0
249.07547	7.5
249.14818	3.9
253.08551	7.3
260.59808	1.4
266.24838	1.1
267.08426	6.9
268.10959	8.7
276.62213	3.0
284.10065	2.1
284.15430	6.2
284.18488	2.6
284.29483	6.9
285.08087	1.7
285.11136	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	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.09615	0.3
53.03942	0.3
55.01854	0.7
55.05490	1.1
56.96302	0.3
56.96560	4.8
57.03421	1.1
59.04969	0.5
61.02918	1.3
63.74546	0.3
69.03412	2.4
69.07053	1.1
70.06587	2.1
70.98097	0.4
71.04962	0.6
71.79200	0.6
72.08126	0.6
73.02898	1.4
73.06516	0.7
74.97579	0.3
81.03394	1.2
84.08129	1.7
84.96010	0.6
85.02888	4.0
85.43789	0.3
86.06033	0.4
86.09709	0.4
87.04449	0.8
93.08102	0.3
96.04475	0.3
97.02886	2.8
98.06034	0.3
98.97568	5.4
100.02361	0.3
101.00870	0.5
103.00633	0.3
105.05492	0.4
109.02855	0.8
109.05084	0.4
110.03514	1.9
110.07137	0.9
110.97528	0.3
111.04469	0.4
112.07593	0.9
113.05983	0.4
114.09152	1.1
116.07056	0.9
116.98599	4.0
119.01901	2.3
120.01895	0.3
121.01682	0.4
124.03938	0.4
127.03893	1.1
128.04515	1.3
128.98531	0.8
129.03941	0.4
129.05441	0.4
130.08630	7.2
131.01840	0.5
133.03456	0.5
134.04599	0.3
134.99631	1.9
135.03001	2.8
136.06172	0.6
137.02946	1.1
137.05984	0.4
138.05479	1.3
139.41496	0.3
140.00214	0.3
140.03418	0.5
143.00179	0.4
143.01888	0.9
145.01729	0.3
145.03404	0.3
145.04950	0.5
146.99631	0.9
147.05006	0.7
149.03070	0.3
149.06558	0.8
152.05656	100.0
153.04079	7.4
153.05988	0.5
155.00089	0.3
155.01955	0.4
155.04643	1.2
158.99643	1.1
161.01219	0.9
161.02927	2.1
163.02652	0.3
164.05191	0.6
165.00720	0.4
168.51811	0.3
169.09755	0.4
170.06619	0.7
170.99709	0.7
173.01289	0.7
173.02789	0.6
174.55162	1.9
175.02858	0.5
175.04352	0.7
175.54327	0.5
175.55911	0.5
177.00774	1.2
177.02237	0.4
179.03770	0.3
179.12108	0.3
183.55733	0.5
184.04910	0.4
186.04373	0.4
189.00774	0.6
189.06097	0.4
190.98637	0.7
191.02252	0.4
198.06143	0.3
200.07751	0.3
201.00703	0.9
201.02437	1.1
201.04095	0.3
203.05719	0.7
203.08479	0.5
203.55504	0.4
203.57274	0.8
204.05426	1.0
204.94696	0.3
205.00182	0.5
207.01706	0.5
208.99739	0.3
216.07149	0.4
218.07091	0.3
219.01770	1.7
219.03625	0.6
219.07938	0.3
221.04993	0.4
223.01128	0.4
223.55240	1.8
225.12325	0.7
227.06885	0.5
231.01697	0.4
237.02869	1.1
242.03600	0.3
242.07164	0.3
243.01613	0.4
246.86789	0.3
253.56248	0.4
260.99792	0.5
261.02905	1.8
261.04843	1.0
279.00504	1.1
283.59241	0.6
284.12885	0.4
284.17084	1.4
284.29568	0.9
293.10724	0.8
309.08667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
55.05495	8.2
57.03429	10.3
57.07060	3.9
67.05495	13.7
67.47916	1.7
69.03415	2.5
69.07053	11.2
69.45985	7.0
69.46408	14.9
71.04972	2.9
79.05478	18.1
81.06574	2.8
81.07042	17.7
83.04956	4.5
83.08611	8.9
89.06020	7.1
91.05476	9.1
92.27798	1.9
93.07030	30.5
95.04971	8.2
95.08595	31.9
97.02892	2.8
97.06540	2.6
98.12160	1.8
99.04474	3.0
105.07021	5.8
106.30444	1.7
107.04961	5.1
107.08565	25.7
109.10184	3.5
117.07009	7.0
119.08543	6.6
121.06464	3.4
121.10120	12.5
125.05937	2.5
130.07808	2.4
133.08603	2.9
134.09641	5.2
135.08046	2.2
135.10063	3.1
135.11665	39.5
145.10114	25.6
163.11159	55.0
167.80843	2.0
181.12198	12.6
227.12752	100.0
228.76105	2.4
270.12778	2.1
283.15308	30.7
283.22366	8.5
283.24506	3.5
283.28534	2.8
284.12582	3.2
284.29398	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	283.2052
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03922	3.5
55.01856	2.1
55.05500	12.3
57.03417	3.1
57.07055	6.2
61.00237	1.6
64.06319	1.6
65.21625	1.7
67.05498	21.8
69.03409	6.9
69.07066	13.1
71.01080	2.1
71.01414	4.0
71.04974	19.1
76.51853	1.7
79.05482	21.8
81.07040	39.0
83.04958	5.2
83.08592	4.3
91.05466	30.1
92.42535	1.8
93.07021	36.2
95.04944	14.9
95.08599	26.0
97.06502	5.4
97.10149	2.8
103.05402	2.5
105.07017	56.0
107.04951	3.1
107.08574	32.8
109.06516	9.3
109.10122	18.0
115.05424	3.5
117.06998	13.0
118.96651	2.2
119.08571	42.8
121.06483	10.7
121.10126	74.8
122.10397	3.7
123.08047	7.5
123.11670	8.3
125.09565	1.8
128.06192	5.2
129.06958	7.9
130.07751	6.1
131.08549	34.3
133.09160	2.6
133.10114	38.3
135.08054	12.5
135.11684	9.5
137.09634	3.7
141.06975	2.1
142.07823	8.2
143.08533	22.7
144.09250	3.4
144.72849	1.8
145.10103	53.0
146.07231	3.3
147.08005	4.7
147.11694	10.8
149.09512	2.2
149.13222	2.3
155.08507	5.0
156.09314	5.8
157.10132	20.0
158.10878	7.3
159.07973	4.6
159.11646	16.0
161.09598	29.8
161.13239	4.7
162.09892	2.6
163.11197	10.1
163.14792	2.2
165.06960	3.4
166.07724	2.5
167.08487	2.5
169.10106	5.2
170.10890	2.8
171.11668	18.5
173.09575	6.2
173.13219	59.2
174.13708	2.8
175.11200	3.9
175.14821	7.4
179.08575	6.6
180.14333	1.8
181.10118	5.8
183.11592	6.3
184.12415	2.4
185.09708	2.0
185.13226	11.3
187.11203	2.6
187.14844	9.4
191.14256	4.5
193.10106	2.9
194.10893	4.7
195.11609	6.3
197.13188	5.1
199.11107	4.3
199.14795	12.1
201.12689	2.1
201.16382	4.6
208.12381	2.3
209.13232	17.5
211.14836	2.9
213.12698	5.2
213.16351	3.0
221.13361	2.2
223.14784	11.3
225.16331	4.2
227.14250	8.1
235.14810	1.9
237.16324	2.6
239.17906	2.1
241.15797	2.9
255.20998	10.8
265.19516	26.2
283.15610	3.8
283.20505	100.0
284.20804	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01858	4.8
55.05503	10.7
57.03423	9.0
57.07056	2.8
67.05498	19.8
69.03415	1.7
69.07065	11.2
70.85313	4.4
71.04973	4.1
73.33177	1.4
76.85085	1.3
79.05479	24.2
81.03400	3.0
81.07047	21.6
83.04965	6.0
83.08596	8.4
85.06523	1.4
89.06014	3.0
91.05445	10.4
93.07029	39.8
95.04944	7.3
95.07995	2.0
95.08597	38.9
97.02872	7.2
97.06518	5.2
98.21075	2.4
99.04440	3.6
103.85474	1.8
105.07014	8.4
107.04951	8.9
107.08575	27.6
109.06504	2.3
109.10137	4.5
111.04426	4.2
117.07011	9.9
119.08540	12.0
121.06496	5.9
121.10128	13.3
123.11734	1.5
125.05977	3.9
128.52249	1.2
130.07797	2.3
131.08568	2.9
133.10081	3.4
135.04440	1.3
135.08073	2.2
135.11671	40.9
145.10103	28.3
155.08540	1.9
163.11160	55.5
173.09602	1.7
181.12257	11.6
191.10564	1.6
197.13361	1.3
201.07176	1.4
203.33469	1.4
209.11794	3.2
227.12737	100.0
228.13153	3.1
230.15897	1.5
234.35446	1.5
255.15981	1.8
283.15341	41.2
283.20541	4.5
283.24115	6.1
289.77539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.51812	2.7
53.03924	5.2
55.01868	16.0
55.05277	2.6
55.05508	35.0
57.03428	35.0
57.07050	11.9
57.73583	2.7
59.04980	6.6
67.05494	26.9
69.07060	16.3
71.04970	10.7
71.80807	3.7
76.02837	2.7
79.05483	44.0
81.03407	16.8
81.06606	3.0
81.07047	42.3
83.01310	15.2
83.04965	22.0
83.08607	25.3
85.06505	4.3
89.06030	15.8
91.05468	27.5
93.07036	53.4
95.04935	12.5
95.08586	34.3
97.02853	3.9
97.06499	11.5
99.04390	4.0
105.07021	22.3
107.04935	17.6
107.08575	27.3
109.06467	8.8
109.10155	6.1
111.04422	8.3
111.08079	3.7
117.07009	17.8
119.08576	20.9
121.06481	5.7
121.10136	23.9
123.08044	13.7
125.05980	4.4
125.09651	4.1
127.68699	3.1
129.06966	3.4
131.08522	11.4
133.08582	7.2
133.10130	9.2
135.08060	4.5
135.11685	42.3
143.08537	4.7
145.10101	40.6
147.08035	5.1
153.12686	8.3
157.10081	3.7
159.11699	4.4
163.11159	74.0
171.11728	3.8
173.09625	7.1
173.13197	4.4
177.11153	3.5
181.12173	12.7
191.10587	10.7
209.11646	16.7
213.16562	3.5
227.10706	4.1
227.12762	40.3
283.15363	100.0
283.20526	10.2
283.24011	25.1
284.15585	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	282.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09594	0.2
55.05504	0.4
56.96555	0.5
57.03416	1.0
57.07061	0.2
59.04998	0.3
67.05478	0.4
69.03410	0.8
69.07059	3.9
70.06587	1.1
70.10871	1.4
71.04980	0.3
72.08141	0.7
73.06561	0.3
79.05512	0.5
81.03391	0.5
81.07034	0.5
84.08116	0.9
85.02878	1.2
85.06544	0.6
86.09670	0.3
91.05463	0.3
93.07027	0.4
94.04046	0.6
95.04934	0.6
97.02880	0.7
97.06519	2.2
98.06046	0.4
98.97550	0.4
103.07586	1.4
109.02892	0.4
111.04398	0.3
119.03547	1.2
120.08107	0.5
121.02856	5.2
121.08439	0.4
123.07956	0.5
127.03888	0.3
129.09120	0.6
131.04953	0.3
134.09621	0.4
136.06169	100.0
137.04565	1.4
137.05780	0.3
137.06601	0.5
139.03862	0.5
145.04982	0.3
145.96695	0.3
148.93941	0.2
150.02736	0.3
150.07729	2.5
151.03897	0.3
169.25075	0.2
177.21356	0.3
181.05118	0.3
181.13437	0.3
186.72783	0.3
206.11783	2.0
208.14459	0.5
209.12843	0.7
210.10210	0.3
232.11826	0.3
250.12967	23.7
251.13261	0.3
257.96683	0.4
265.06750	0.4
267.00275	0.5
282.15573	53.4
282.22159	1.1
283.15942	1.3
300.06183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.05518	1.0
56.69471	0.3
57.03434	0.5
57.07087	0.4
67.05524	0.7
69.03429	0.4
69.07083	1.0
70.06607	1.3
71.25111	0.5
71.25423	0.4
72.08146	0.5
79.05512	1.6
80.05025	1.8
81.03439	1.3
81.07042	1.8
82.06595	0.7
84.04518	1.1
84.08150	1.0
85.02882	0.6
85.06534	0.3
86.06062	0.9
86.09660	0.3
87.04456	15.8
91.05496	0.7
93.07037	3.0
95.04976	0.6
95.08605	1.0
96.08150	0.7
97.06534	0.4
98.06046	1.7
98.09698	0.4
105.07060	0.6
107.04932	0.4
107.08616	1.7
108.08106	2.0
109.02892	1.5
109.08894	0.4
110.09691	1.5
112.07521	0.3
116.07088	0.4
120.08116	1.0
121.02860	2.3
121.10152	0.9
122.09639	1.8
123.10488	0.4
123.11730	0.5
124.07584	0.4
124.11220	0.5
134.09564	0.5
135.07991	0.4
135.11682	2.7
136.07605	0.7
136.11249	1.0
137.05971	0.4
137.13309	0.6
143.58136	0.3
150.12764	3.3
151.13582	0.8
152.14325	13.5
161.05988	1.5
162.55544	0.3
166.07242	1.4
166.08646	3.3
167.05699	0.4
177.05493	0.6
177.09306	0.4
178.12346	0.5
180.10275	0.6
181.10919	0.5
184.09711	1.1
184.13361	1.3
193.57303	0.5
194.11719	2.7
196.13333	1.1
196.17044	0.5
208.13202	3.2
209.14072	1.3
210.06801	0.5
210.14870	0.6
217.38078	0.4
236.16435	0.8
238.17993	100.0
239.06784	0.4
239.18314	3.2
240.19521	0.4
253.08566	1.0
254.08057	0.5
263.64590	1.0
275.39456	0.4
282.20587	84.4
283.09573	0.9
283.20920	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1742
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.97823	1.1
53.03939	5.7
55.01865	5.7
55.05501	31.8
57.03428	31.1
57.07061	12.7
57.81948	1.1
59.04968	1.6
65.03914	5.0
67.05495	85.4
69.03414	5.5
69.07054	21.8
69.87828	8.2
71.04961	4.8
71.08612	11.1
73.06512	2.0
79.05481	100.0
81.03408	17.8
81.07042	73.7
82.07365	1.2
83.04964	32.4
83.08604	12.6
85.02871	2.4
85.06508	4.4
91.05463	66.9
93.07028	81.3
95.04386	2.1
95.04952	31.7
95.08588	48.8
97.02865	2.7
97.06519	8.2
97.10168	7.0
98.55687	1.2
101.05978	2.0
105.04435	1.5
105.07016	48.3
107.04958	9.2
107.08580	26.9
109.06512	9.7
109.10148	11.5
111.08046	2.9
111.11690	2.0
111.24031	1.2
115.05427	1.8
117.06992	10.5
119.08564	33.9
121.06472	3.5
121.10094	6.2
123.08063	9.0
123.11681	4.2
127.07501	2.5
128.06192	2.9
129.06984	19.9
131.08556	4.2
133.10112	14.4
135.08005	4.6
135.11685	3.9
137.09634	1.1
137.13217	3.3
143.08556	9.1
145.10110	10.9
147.08022	4.3
147.11665	41.8
150.02670	1.4
151.02827	1.2
151.14771	1.2
157.12869	1.1
159.11623	1.5
161.09642	6.4
161.13246	16.2
163.11191	2.7
171.11668	35.1
172.94093	1.1
179.14241	1.7
189.12703	13.7
200.03619	1.3
207.13756	19.8
208.06989	1.1
281.17410	73.7
281.28320	14.1
282.17737	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	282.1485
Annotation	Bharatamine
Peak:m/z	Relative Intensity
51.02369	0.4
51.77435	0.2
53.03933	0.7
55.05499	0.5
56.38427	0.2
57.03417	0.3
65.06249	0.3
67.05489	0.9
69.03430	0.3
69.07064	0.3
70.92451	0.6
71.04975	0.3
74.31505	0.3
79.05481	19.5
80.05059	0.3
80.05823	0.4
81.03419	0.3
81.07035	1.0
87.04461	0.4
91.05460	1.1
93.07024	2.4
95.04947	1.4
95.08600	1.9
103.05450	56.2
104.05795	1.0
104.07061	0.5
105.07008	2.8
107.04935	25.7
107.08569	1.0
108.05240	0.5
109.10131	0.6
112.98956	0.3
117.07005	0.8
118.06515	2.4
119.07331	2.1
119.08575	0.5
121.02838	1.3
121.06499	1.8
121.10117	0.5
123.07993	0.3
125.05935	0.5
131.04907	21.1
132.05234	0.5
133.24266	0.2
134.09633	49.9
135.09959	1.2
135.11639	0.7
139.03784	0.3
145.10114	0.5
149.05957	2.4
151.14803	0.3
154.78386	0.3
163.11139	1.3
227.12746	1.9
250.09509	0.3
265.12103	0.8
281.65012	0.3
282.14844	100.0
283.09991	0.4
283.15225	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	281.1741
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.00289	1.5
53.03947	8.2
53.61187	1.8
55.01845	5.1
55.05501	35.3
57.03200	1.6
57.03426	23.4
57.07057	3.7
65.03930	4.0
67.05490	84.2
69.07059	20.1
69.28246	1.7
71.04979	3.8
73.06552	2.6
79.05478	100.0
81.03402	17.4
81.07040	64.8
83.04967	39.0
83.08611	11.8
85.06525	2.4
91.05462	75.4
91.86585	1.6
93.07022	78.6
95.04948	31.3
95.08582	36.5
97.02884	2.6
97.06507	7.2
97.10157	3.4
105.06312	3.5
105.07008	55.9
107.04935	9.8
107.08571	21.5
109.06514	8.8
109.10107	7.9
115.05421	1.8
117.06996	10.6
119.08557	34.3
121.06494	3.6
121.10114	8.0
123.08057	9.8
125.05893	1.8
127.07575	4.0
128.06190	3.3
129.06952	20.3
131.08525	4.9
133.06483	2.0
133.10114	14.5
135.11674	3.2
141.06941	1.7
143.08551	12.7
145.10115	12.7
147.08011	4.0
147.11658	48.2
149.02342	2.6
150.02686	2.5
161.09612	5.0
161.13220	21.7
171.11653	36.3
177.12646	2.1
189.12735	14.5
207.13751	22.4
281.17416	83.6
281.22473	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	281.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48429	2.7
55.05501	5.1
57.07065	79.5
61.02906	3.3
63.04480	40.0
64.56943	2.9
67.05488	3.0
69.03423	25.4
69.07059	6.7
69.98471	12.4
69.98902	5.1
70.06593	4.3
72.08138	5.3
79.05453	5.2
81.03406	6.3
81.07019	3.6
83.04966	3.1
84.04508	6.1
84.08127	6.9
85.02889	41.9
86.09692	12.9
87.10038	6.3
91.05446	6.3
93.07040	4.2
95.04988	5.4
95.08580	3.1
97.02880	11.0
97.06525	4.1
98.21357	4.8
99.04440	3.2
105.07007	6.7
107.04934	4.2
107.08568	3.9
109.02858	7.5
109.10236	2.7
114.09133	3.7
115.05418	5.5
119.04899	4.9
119.08540	4.3
119.10680	100.0
120.08081	7.2
121.06470	3.3
121.10114	4.0
124.03929	7.1
127.03933	19.9
129.06949	4.0
130.04968	3.6
131.04919	3.7
131.08525	5.3
133.06477	6.3
133.10106	3.8
135.08034	8.2
137.05920	4.8
147.09161	7.9
150.02696	3.4
150.99928	2.7
159.08054	5.4
161.05966	5.3
161.09639	4.5
163.07513	4.3
166.07257	11.9
173.06035	3.3
174.12778	3.8
181.04958	10.7
187.07541	4.1
189.05403	3.5
193.08618	5.0
205.08591	3.2
207.06447	4.6
217.12291	3.7
220.13371	7.7
221.08035	5.7
238.09831	3.5
245.15448	3.2
250.09889	10.3
251.06944	6.9
251.09262	6.2
258.10516	3.2
262.06281	3.3
263.09311	5.3
263.12457	3.9
266.09369	8.3
281.09970	22.9
281.14694	14.2
281.17737	4.1
282.15424	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	281.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.05504	31.5
57.03427	3.2
57.07063	7.3
57.99928	2.1
59.04993	2.7
67.05499	5.2
69.03415	5.9
69.07072	4.9
70.02957	6.4
70.06591	16.8
71.04976	3.3
71.78827	4.8
72.08138	14.1
74.02441	4.3
79.05482	2.9
81.03400	3.6
81.04498	2.4
81.07048	7.9
82.06521	2.3
83.08105	3.5
83.08608	56.7
84.04487	7.2
84.08133	14.3
85.02890	11.9
86.09702	4.9
88.03987	27.9
91.05445	20.6
93.07027	4.2
95.04988	2.0
95.08588	8.4
97.02872	3.3
97.10173	2.6
98.97578	3.6
101.09644	47.7
103.05465	10.7
105.03378	3.3
105.07029	5.3
107.04954	4.4
107.08615	2.8
109.02843	5.9
109.06478	3.6
109.10152	3.8
110.07177	2.5
116.07034	2.6
116.98622	6.6
119.04907	5.2
119.08608	2.9
119.10683	9.9
120.06680	4.2
120.08092	100.0
120.81625	2.5
121.02865	2.6
121.06535	3.0
121.08404	3.9
121.10162	2.4
122.06050	3.5
122.07134	6.4
123.04430	2.7
123.07959	23.8
127.03915	5.3
129.06975	2.6
129.10266	6.1
130.04988	2.6
130.06519	7.3
131.04926	5.4
132.14407	2.3
133.06541	3.3
133.10115	2.3
134.99631	2.5
135.71680	2.0
136.03894	4.1
136.06183	52.1
136.07564	9.6
137.05969	4.6
144.08090	2.5
145.04982	2.5
147.04469	4.1
149.02356	13.7
149.06044	2.5
150.02620	16.4
150.07719	13.2
151.02829	15.8
151.03928	3.0
157.06479	4.2
159.08055	3.1
161.05936	3.8
161.10741	2.8
162.04126	25.6
162.05348	3.6
163.03888	8.9
163.07510	3.3
165.05496	4.0
165.09108	8.6
166.08611	39.3
167.07085	2.9
169.03822	2.6
172.07581	3.9
173.09196	2.4
175.07401	2.6
175.08725	8.6
175.11092	2.6
177.00684	2.8
177.07866	2.5
180.42639	2.1
182.06003	3.6
200.07085	11.4
206.11810	13.0
208.14476	3.5
209.12953	4.7
221.09190	6.9
221.11485	2.4
235.10799	19.0
246.07542	13.1
263.10202	4.3
263.14520	3.1
266.99942	6.7
281.10818	23.6
281.14813	17.2
281.18350	2.7
282.09369	3.2
282.15787	4.4
282.19296	9.3
283.03000	5.8
299.06140	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	279.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63265	0.7
55.05500	1.6
57.03428	7.2
57.07065	13.2
59.04984	1.2
61.02913	1.9
65.03936	1.2
67.05499	1.4
69.03416	9.5
69.22759	0.8
71.01324	2.5
71.04983	12.3
71.05360	0.9
71.12581	1.7
71.12938	1.2
73.02901	9.0
75.04463	7.3
81.03396	1.3
83.04967	7.0
85.02889	57.1
86.09690	1.5
87.04446	2.7
95.04952	1.7
97.02881	11.4
99.04436	1.6
101.60589	0.8
105.07041	0.8
107.08554	1.0
109.02866	1.5
109.18317	0.8
111.04438	4.2
111.05075	0.7
113.02406	0.9
113.05984	1.1
115.03915	13.5
117.06956	0.7
120.08092	3.0
121.02836	3.5
127.03899	2.2
129.05457	12.5
131.08481	0.8
133.04948	1.5
136.03911	1.5
139.03853	3.8
145.10066	0.7
147.04405	1.4
147.06502	8.2
149.02313	100.0
150.02556	0.9
151.03819	0.8
157.04980	1.1
165.07611	1.0
167.03380	1.8
169.91096	0.8
171.06548	1.2
173.13235	0.9
201.12796	0.9
225.07536	3.1
225.56673	0.9
241.76506	0.9
243.08661	1.9
249.97348	0.8
261.09558	2.0
264.08783	0.9
279.11221	7.2
298.04245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.17
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.07066	5.8
58.48796	0.5
62.12952	0.4
65.03928	0.5
66.98258	0.4
69.07073	0.5
71.47741	0.9
72.04522	0.6
78.03777	0.7
79.05458	0.6
81.03391	0.5
86.09691	100.0
87.10024	0.8
88.56102	0.4
91.05450	1.1
93.07030	0.9
102.03752	0.8
103.05452	1.8
107.23249	0.4
110.86741	0.5
114.09123	0.5
114.70366	0.4
120.08085	49.1
121.02866	1.9
121.08431	0.7
132.10184	1.0
145.05406	0.5
148.04713	0.6
149.02316	39.1
149.07413	3.8
150.02661	0.6
166.08617	9.8
167.03474	0.6
190.07739	0.5
192.99525	1.4
219.07988	0.9
233.16498	1.7
247.07733	0.5
261.12460	0.5
279.10184	1.7
279.14081	0.6
279.17007	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	279.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45395	1.2
53.03957	1.4
55.05498	4.2
57.03431	14.8
57.07067	10.7
58.13286	1.2
59.04956	1.4
61.02925	3.6
67.05483	2.5
69.03419	17.5
71.01342	5.3
71.04988	16.1
71.54841	1.1
71.55170	1.6
73.02911	17.4
75.04477	12.1
75.96127	1.0
76.73410	1.1
81.03393	2.2
83.04984	12.2
85.02898	100.0
86.03224	1.4
87.04466	3.0
95.04978	1.7
95.08598	2.0
97.02878	22.2
97.03459	1.8
97.06498	1.4
99.04447	1.6
101.05991	1.8
109.02873	1.3
109.10122	1.1
111.04445	10.0
113.02369	2.8
113.06004	1.8
115.03920	21.9
121.02877	2.5
127.03920	2.4
129.05472	21.1
130.50601	0.9
133.04971	2.5
139.03893	3.7
147.06519	16.3
147.45807	1.0
149.02325	86.0
150.18336	1.1
151.07504	1.0
153.05489	1.1
157.04982	3.5
167.03450	2.5
171.06546	4.0
179.07024	1.7
225.07549	9.0
234.76918	1.2
242.62260	1.0
243.08650	3.4
261.10016	1.5
279.10721	6.3
279.21167	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	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	7.0
60.45497	1.0
69.53623	4.9
69.54042	4.6
98.21389	2.2
98.97568	100.0
110.97542	12.5
114.09151	7.5
116.10719	3.8
116.98606	70.4
117.11040	2.3
119.01872	2.7
128.98586	18.4
134.99641	28.5
136.94069	2.3
140.00183	1.7
142.08563	1.7
143.01816	1.3
146.99623	12.1
153.00705	2.5
158.99637	43.0
160.09673	8.0
161.01254	1.2
165.00708	1.6
170.99597	7.1
176.93852	1.0
177.00687	88.2
180.97450	1.7
182.97197	1.8
189.00677	19.9
189.55653	3.4
195.01695	7.9
198.56177	3.0
200.02298	3.3
207.01764	11.2
212.02267	1.7
219.01717	17.1
225.02788	1.1
237.02795	11.1
249.02885	1.2
255.03827	4.6
257.02704	2.3
279.04544	16.4
279.16315	7.3
280.04221	3.8
297.04779	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	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	8.7
57.07061	1.3
60.47955	0.6
61.02901	0.7
69.03413	0.9
70.48533	1.7
70.48923	1.2
81.69164	0.7
84.96063	0.6
85.02884	2.8
87.43507	0.6
94.00774	0.7
97.02878	1.1
98.97572	100.0
110.97559	21.1
115.02471	0.8
116.98609	62.6
121.01704	0.9
128.98595	29.3
131.00215	0.9
133.03432	0.9
134.99643	24.1
140.00215	1.8
143.00212	0.9
146.99629	18.8
149.02316	8.0
153.00713	2.2
158.01233	1.6
158.99638	38.9
161.02979	0.8
163.02684	1.1
165.00725	1.9
170.05212	2.3
170.99629	14.3
177.00700	69.4
178.01144	0.8
184.16226	0.7
189.00697	36.0
189.85892	0.7
194.97867	0.7
195.01764	6.7
200.02333	2.4
201.00726	1.6
207.01744	23.3
212.04001	0.9
219.01775	11.0
237.02814	10.4
249.02876	1.8
255.03851	3.7
256.03006	1.5
260.04205	0.7
279.03839	10.5
297.04895	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	279.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	31.8
58.99831	4.5
71.24626	3.0
74.97553	1.6
75.85331	1.0
77.00895	1.6
79.13301	1.5
82.01402	3.0
84.08102	2.3
84.96031	8.1
90.74985	1.1
95.45187	1.1
98.97563	99.6
100.02461	12.3
101.00861	1.8
110.97524	4.8
116.98602	51.0
118.03471	4.9
119.01891	6.4
124.99075	5.3
128.98586	6.7
131.00124	4.5
134.99632	19.7
136.93950	4.6
137.02892	1.4
140.98517	3.6
143.00140	21.7
143.01826	10.2
145.03441	11.2
146.99573	3.8
153.00641	3.3
158.01123	1.4
158.99628	32.4
161.01158	18.9
161.02881	13.4
162.02922	1.5
163.04485	7.5
166.03453	6.1
168.05069	6.0
171.01292	4.7
174.98972	1.6
177.00687	45.5
177.02234	2.2
179.02263	1.6
184.04449	4.2
186.06078	3.3
189.00664	3.6
189.02348	6.4
191.03918	1.7
194.02972	8.0
195.01686	4.3
200.02150	1.6
200.54724	1.3
201.00705	2.0
212.04030	17.3
215.00351	1.3
219.01727	24.1
230.04980	5.0
237.02779	92.1
238.01819	10.2
239.01740	1.5
239.06189	2.1
255.03838	100.0
256.00360	1.6
256.02979	32.3
257.02679	4.6
260.04324	2.5
273.04904	6.5
278.05347	2.0
279.03781	46.5
297.04858	63.8
298.05344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02371	0.9
51.36898	0.7
53.03931	3.7
54.13181	0.8
55.01842	1.2
55.05503	15.2
55.62247	0.7
57.07059	2.9
65.03928	0.8
67.05494	31.1
69.07057	16.9
69.70768	4.2
69.71172	2.2
71.04982	1.7
72.08134	1.3
79.05479	73.1
80.05832	1.0
81.07043	36.4
83.04967	1.7
83.08616	8.2
83.61329	0.7
85.06522	1.9
91.05466	26.1
93.07027	100.0
94.07358	1.0
95.04950	8.1
95.08591	24.5
97.06501	2.7
97.10165	3.8
99.04471	0.9
101.05981	0.9
103.45092	0.7
105.04512	1.4
105.07012	12.7
105.26055	0.8
107.08575	49.9
109.06481	2.8
109.10132	12.9
111.08056	0.9
112.99237	0.9
114.10293	2.1
117.06982	3.1
119.04923	2.2
119.08555	11.1
121.10123	44.4
123.08040	1.9
123.11669	2.8
125.09589	1.7
129.06995	2.1
131.08580	4.5
133.10104	12.4
135.08063	1.3
135.11671	53.2
136.12013	0.9
137.09534	1.1
137.13219	1.0
139.71356	0.8
140.95668	0.8
143.08554	2.8
145.10098	4.3
147.04379	11.6
147.11668	7.5
149.09555	2.1
149.13234	24.5
157.10124	2.1
159.11658	4.4
161.13219	6.2
163.11157	1.2
163.14781	5.5
171.11702	2.8
173.13231	3.5
175.11217	1.0
175.14789	2.3
177.12720	1.5
181.12201	1.4
185.13220	2.8
189.12703	1.3
193.12218	1.7
195.13817	1.8
199.14790	1.5
203.14156	1.6
207.13736	2.9
209.15434	0.8
212.53531	0.8
213.16296	2.6
217.15881	0.9
218.11736	1.3
221.15305	2.9
231.17380	1.1
233.98763	0.8
235.16873	4.7
241.19542	1.4
259.20520	5.2
273.91968	0.7
277.17056	8.2
277.21570	82.9
278.22009	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03923	5.8
54.90868	1.6
55.05503	17.9
57.07052	2.9
60.07196	1.7
60.27520	1.9
62.69305	1.6
63.17564	1.8
67.05495	29.5
69.07062	15.2
71.24038	2.4
71.24358	3.7
79.05484	66.6
79.76138	1.9
81.06599	2.7
81.07045	38.5
83.08623	8.2
89.29559	1.8
91.04915	1.9
91.05475	26.7
93.07032	100.0
95.04976	8.8
95.08593	23.9
97.06521	2.4
97.10133	4.8
105.07013	13.7
107.08576	44.8
107.09309	2.2
109.06515	2.5
109.10146	12.8
119.08583	10.1
121.10135	42.8
123.08004	2.1
123.11692	3.6
124.18285	1.8
129.06960	2.7
131.08513	3.3
133.10094	9.3
135.11668	46.2
136.22499	1.6
145.10089	4.0
147.04366	3.0
147.11647	7.1
149.13257	20.3
157.10159	2.1
159.11685	3.6
161.13214	7.2
163.14771	6.5
171.11652	2.2
173.13214	2.3
175.14780	3.1
181.12170	2.5
207.13675	2.5
213.16283	2.2
221.15359	3.6
235.17010	3.6
259.20490	3.7
277.16833	3.2
277.21591	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0317
Annotation	selenoneine
Peak:m/z	Relative Intensity
57.01617	6.8
62.40130	5.0
70.12417	32.2
70.12820	12.9
90.05962	6.1
106.32276	7.1
122.79713	6.6
143.01938	7.7
145.69482	7.5
161.02962	8.1
191.81604	6.7
277.03186	100.0
277.06705	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	277.1654
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.02978	0.3
58.21768	0.3
60.05639	3.2
70.96152	0.4
70.96494	0.6
72.08138	10.1
73.31297	0.3
89.10778	1.4
91.05481	3.4
97.07629	1.8
98.06015	0.5
114.10273	21.1
115.08664	3.3
115.63869	0.3
119.04922	16.6
120.84465	0.4
125.48263	0.3
126.07661	0.3
131.12904	3.8
147.04378	100.0
148.04732	1.6
151.92566	0.4
157.10832	0.5
164.26329	0.3
188.33655	0.4
217.13295	4.8
218.11766	4.3
235.14290	0.7
260.13895	9.4
277.16544	66.6
278.16876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1656
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
51.21539	0.4
55.05497	0.5
60.05632	1.4
71.57719	0.6
72.08144	5.5
88.45943	0.3
89.10784	0.9
91.05476	3.1
97.07650	1.3
98.06018	0.8
98.54410	0.3
104.53793	0.3
114.10278	16.4
115.08672	4.4
115.10578	0.5
119.04932	15.1
127.02873	0.4
131.11996	0.4
131.12857	1.9
147.04391	100.0
148.04701	2.5
217.13321	6.8
218.11745	6.9
218.13716	0.5
220.51587	0.4
235.14380	1.1
259.11160	0.5
260.13901	9.7
277.16568	64.7
277.66544	0.5
278.16891	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1657
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.05479	0.4
55.10213	0.4
59.91972	0.3
60.05644	2.9
64.03162	0.3
69.86237	2.7
72.08144	9.2
84.25353	0.3
89.10770	0.8
91.05478	3.7
97.07639	2.4
97.36525	0.3
98.06044	0.9
114.10278	21.0
115.08659	2.8
115.10626	0.5
119.04933	16.0
120.05308	0.6
121.06536	0.4
131.12917	4.3
141.59955	0.4
147.04391	100.0
148.04742	4.8
157.10794	0.6
217.13350	4.6
218.11729	6.2
218.13702	0.6
235.14276	1.0
247.64151	1.1
249.06859	0.4
260.13922	8.5
261.14142	0.6
277.16568	70.8
277.66788	0.7
278.16840	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	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	15.2
60.30471	6.3
63.52750	5.8
69.78825	53.7
73.01231	7.2
76.97636	5.4
97.43854	6.2
98.11887	6.4
98.97584	16.1
101.00877	18.5
108.06087	8.2
112.61968	6.8
116.98632	9.1
117.17773	6.8
119.01879	45.4
124.47991	6.4
131.01907	20.1
137.02946	7.4
143.01877	21.1
145.03438	15.8
146.13525	6.7
155.01903	19.7
157.03459	12.1
161.02945	74.0
173.02922	28.9
185.02930	22.4
187.04492	7.9
203.03992	10.0
237.02818	11.2
245.05144	14.2
252.28096	8.2
277.03247	65.7
277.07755	100.0
295.06918	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	276.1956
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05511	1.4
57.03416	0.5
59.04990	2.7
66.92119	0.3
67.05489	0.4
69.07084	0.6
69.97684	0.3
70.24365	1.3
72.08138	1.7
73.06545	0.5
79.05470	0.4
81.07035	0.6
91.05462	0.9
95.08614	0.4
97.06508	1.3
98.20803	0.4
100.38745	0.3
104.34451	0.3
105.07058	0.3
109.10125	0.3
109.45634	0.3
110.02315	0.3
113.88544	0.3
114.10300	1.7
115.08670	0.5
117.06988	0.3
118.06531	12.9
119.04926	1.9
119.07287	0.4
119.08566	0.4
131.12918	0.4
132.08078	4.2
133.08844	2.4
134.09625	1.3
141.59975	0.6
146.09630	3.9
147.04388	10.7
147.10341	0.5
160.11198	0.4
176.14326	61.0
177.14647	2.0
191.03436	0.4
205.70749	0.3
205.78943	0.3
215.07182	0.3
217.13292	0.3
218.11705	1.9
232.13379	0.5
233.08224	0.3
233.14049	0.6
247.64177	1.0
259.09628	0.9
260.13919	0.8
276.19562	100.0
277.09814	0.5
277.16595	11.9
277.19907	5.2
295.98923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2365
Annotation	Androstenol
Peak:m/z	Relative Intensity
52.31600	4.7
55.05497	12.3
57.07079	7.1
67.05486	20.6
69.07059	26.4
71.04974	11.0
71.81142	5.9
79.05473	7.5
81.07043	44.0
83.08596	9.2
85.06534	9.3
89.62678	6.0
91.05488	14.5
93.07014	36.0
95.08591	55.0
97.10139	7.3
105.07011	27.3
107.08582	48.1
109.10137	52.9
111.08074	8.6
119.08566	35.2
121.10149	36.2
123.11690	11.7
131.08514	15.0
133.10118	24.3
135.11684	32.1
137.09531	7.1
145.10094	8.2
147.11684	24.8
149.13248	19.3
159.11674	11.6
160.12866	5.4
161.13249	27.7
163.14761	12.7
173.13254	16.0
175.14792	10.6
177.16373	7.5
187.14795	16.6
188.42792	5.1
191.17963	43.8
201.16393	25.9
215.17949	15.0
217.19487	77.2
231.20987	7.2
257.22614	85.9
275.05133	7.4
275.20490	12.0
275.23682	100.0
275.27780	19.9
296.56024	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	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	1.8
55.01860	6.4
55.05503	19.0
57.03418	1.9
57.07051	1.0
59.04967	0.9
65.03914	1.1
67.05492	25.5
69.03407	0.9
69.07059	6.7
70.14510	2.7
70.90913	0.5
71.04971	2.2
74.75208	0.5
77.51114	0.5
78.51847	0.7
79.05481	37.4
79.09389	0.5
81.03396	0.6
81.06597	1.1
81.07045	17.9
83.04961	2.1
83.08599	5.2
85.06541	1.5
91.05466	27.7
92.05816	0.7
93.07033	21.3
95.04962	4.2
95.08595	8.8
97.06512	4.9
97.10155	3.3
103.05444	1.4
105.07014	36.3
106.07327	0.7
107.04942	23.2
107.08573	25.0
109.06484	2.6
109.10145	13.2
111.08063	2.0
112.71368	0.6
115.05479	0.9
117.07003	10.1
119.08561	27.1
121.06460	2.8
121.10127	9.4
123.08031	0.9
123.11681	2.3
125.09621	4.4
129.06989	1.9
130.07742	0.7
131.08546	12.6
133.10106	25.4
135.08035	4.7
135.11647	2.8
137.09598	1.7
141.07011	1.3
143.08528	2.2
145.10091	11.7
147.08038	0.7
147.11661	17.9
149.09598	40.4
149.13229	1.0
151.11130	1.2
153.09081	2.5
155.08559	0.9
155.10703	0.9
157.10095	2.1
159.11681	9.0
161.13239	5.9
163.11127	2.7
165.09033	0.7
169.10129	1.7
169.12126	1.5
171.11674	2.8
173.11708	2.1
173.13240	3.7
175.11157	1.2
175.14726	1.0
177.12730	1.0
179.10683	1.1
179.14212	0.7
183.11655	1.3
185.13240	0.9
185.87326	0.6
187.11142	2.0
187.13271	1.5
187.14798	1.5
193.12215	0.7
197.13254	2.7
201.12743	0.8
211.14865	0.7
215.14235	1.3
215.17870	1.7
219.13844	0.7
229.19485	6.5
233.15273	1.8
239.17929	3.1
247.20566	2.3
257.18942	14.6
275.20010	100.0
275.27789	2.7
276.20386	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	0.9
55.01855	2.3
55.05265	0.9
55.05500	10.5
57.03415	1.5
57.07056	1.0
60.35615	0.6
65.03934	1.1
67.05491	14.1
69.03415	3.4
69.07054	8.6
71.04978	2.1
72.02650	0.5
79.05479	12.6
81.03406	0.7
81.07040	15.1
83.04975	3.3
83.08597	3.5
85.02863	0.9
85.06522	1.2
91.05466	28.6
93.07030	16.4
95.04956	3.7
95.08588	13.1
97.06496	2.6
97.10143	1.8
98.20653	1.8
103.05444	1.4
105.07012	45.0
106.07329	0.7
106.08672	0.8
107.04944	6.0
107.08577	14.8
109.06458	2.2
109.10143	6.5
111.04398	1.6
111.08063	1.0
113.05989	1.6
114.83183	0.6
117.07000	6.8
119.04910	1.0
119.08559	25.3
121.06460	2.2
121.10126	7.6
123.04449	0.8
123.08016	1.9
123.11687	2.7
125.09607	1.5
129.06982	2.1
131.08556	11.7
133.06454	0.8
133.10109	25.0
135.08020	2.7
135.11707	4.0
137.09610	1.6
137.13277	0.9
141.06912	0.7
142.07761	0.6
143.08522	2.2
144.09358	0.7
145.06439	0.6
145.10106	11.9
146.10931	0.7
147.04349	2.2
147.08066	1.1
147.11658	17.1
149.09590	6.3
149.13220	1.5
151.11148	1.3
153.09085	0.7
155.08534	1.3
157.10075	2.8
159.08046	0.9
159.11681	9.6
161.09525	1.5
161.13242	5.5
163.11226	3.2
165.09100	0.8
165.12643	0.6
169.04929	1.5
169.10089	1.0
171.11629	3.2
173.05951	0.6
173.13254	5.2
175.11150	1.5
175.14790	1.7
177.12677	0.7
183.11693	1.5
185.13214	1.3
187.07494	0.7
187.11148	1.6
187.14781	1.9
189.12727	0.9
191.10526	0.6
197.13191	1.8
199.14780	1.1
201.12704	1.3
211.14851	1.1
213.16412	0.8
215.14328	0.7
215.17940	2.8
217.15846	1.0
219.13792	1.1
229.19478	2.4
229.97739	0.9
233.18874	0.7
239.17903	3.6
247.20541	2.2
257.18979	8.0
275.20020	100.0
275.27734	2.6
276.20432	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.91819	0.7
53.03933	2.0
55.01861	2.0
55.05503	12.2
57.03436	3.6
57.07070	1.0
58.74370	0.7
59.04976	0.9
61.69798	0.7
67.05496	17.9
69.07063	9.0
69.68245	4.7
69.68654	1.4
70.06599	0.7
71.04974	1.9
77.15328	0.7
79.05022	0.8
79.05482	18.5
81.07043	24.5
82.07351	0.8
83.04958	2.5
83.08603	4.5
85.06526	1.6
88.07563	0.8
91.05468	32.1
93.07031	17.6
95.04958	5.6
95.08594	13.9
97.06501	2.3
97.10111	1.7
99.04453	1.0
99.08099	1.1
103.05450	1.6
105.07012	43.9
107.04943	6.5
107.07896	0.6
107.08575	14.2
109.06493	6.1
109.10137	5.6
111.08066	1.5
116.06261	0.7
117.07001	7.3
119.08562	27.2
121.06478	3.1
121.10127	7.4
123.08077	6.1
123.11714	1.5
125.09670	1.1
128.43790	0.8
129.06984	2.0
131.07631	1.1
131.08556	12.7
133.10114	36.9
135.08069	4.5
135.11635	4.3
137.09589	2.3
141.07030	1.4
143.08522	1.4
145.10095	12.2
147.04384	0.9
147.08057	1.0
147.11659	15.4
149.09599	5.7
149.13298	1.6
151.11212	1.2
153.05489	0.9
155.08438	0.9
157.10092	3.0
159.11668	8.0
161.09517	1.5
161.13239	4.0
162.17488	0.8
163.11139	2.8
165.12688	0.7
169.10094	1.2
171.11639	1.4
173.09592	0.7
173.13231	3.8
175.11139	2.9
175.14839	1.3
178.13005	0.7
183.11665	2.8
185.13232	2.7
187.14758	1.3
197.13232	1.5
199.14801	1.2
201.12738	1.4
201.16354	2.4
203.14268	2.2
211.14865	1.0
212.48483	0.7
213.16476	0.8
215.14334	1.1
215.17957	0.9
219.13797	1.4
219.17477	0.8
229.15916	1.1
229.19476	3.0
233.18959	0.9
239.17918	3.7
247.20586	3.0
257.18997	7.7
275.20023	100.0
275.27679	9.1
275.77985	0.9
276.20309	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27789	0.5
56.96300	0.8
56.96562	13.6
56.96843	0.8
57.03430	1.1
57.76845	0.5
58.74525	0.5
67.05511	0.8
69.03421	1.6
70.06581	1.6
70.84255	0.6
70.84595	2.1
70.98119	5.0
72.08157	1.3
73.02911	0.8
73.06554	0.6
74.97600	0.8
76.02225	1.1
84.08138	2.3
85.02914	3.2
86.09694	0.9
88.99162	2.0
97.02883	1.6
97.06518	4.2
98.97572	12.1
101.00845	3.2
102.67898	0.6
102.96854	1.0
107.00208	1.2
110.97559	0.8
111.39123	0.6
111.84805	0.5
112.07591	1.1
113.00865	0.7
114.09087	0.6
114.10328	0.8
115.02497	1.2
116.98610	7.6
119.01901	8.3
127.03954	0.9
128.98621	1.8
129.03949	0.7
129.10187	0.7
130.08675	2.0
131.01888	4.4
131.05573	1.2
133.03461	1.6
134.99628	3.5
137.02974	2.0
137.06000	0.7
143.01888	7.6
145.03485	2.8
146.99644	3.3
149.06587	2.0
154.96495	0.9
155.01846	3.7
155.04607	0.8
156.02711	0.6
157.04385	1.0
157.54463	1.1
158.99696	1.3
159.05058	1.2
161.02943	10.2
165.00706	3.0
172.97545	4.9
173.02975	4.1
173.06595	3.9
177.00735	0.6
177.06079	0.6
181.00327	0.7
185.03055	0.6
185.06586	5.5
187.08044	0.8
190.98621	11.6
191.07712	1.3
193.00215	1.1
203.04068	1.5
203.07681	2.2
205.00188	1.4
208.99652	3.3
210.58047	4.4
214.98627	0.8
215.07669	2.1
218.98102	3.7
221.05080	5.5
223.01274	1.1
229.56659	0.8
232.99651	7.4
237.02945	0.9
251.00667	4.9
257.01401	0.9
257.08728	1.0
274.60056	1.1
274.97577	5.6
275.11053	100.0
276.11728	2.8
292.98584	3.6
293.10745	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03914	0.8
55.01849	3.2
55.05503	10.7
57.03415	2.3
57.07063	0.9
67.05498	15.4
69.07058	9.8
71.04972	3.2
77.54929	0.8
79.05486	15.9
81.06593	1.5
81.07045	21.2
83.04952	2.5
83.08630	4.0
84.08091	0.9
85.06512	2.9
90.29095	0.8
91.05468	27.8
93.07037	15.8
95.04961	4.6
95.08599	11.4
97.06514	2.1
97.10140	2.2
98.20663	1.8
103.05437	1.4
105.07017	39.1
107.04953	4.5
107.08574	15.0
109.06494	7.9
109.10152	5.8
111.08066	4.2
117.07000	10.4
119.08565	28.3
119.60196	0.9
121.06485	2.4
121.10120	9.1
123.08015	4.2
123.11668	2.0
125.09587	0.8
129.06967	2.9
131.08542	12.7
133.06483	0.8
133.10117	28.4
133.11133	1.4
135.08046	6.5
135.11668	4.6
137.09593	2.8
143.08527	3.7
144.09251	1.0
145.10107	12.8
147.07976	1.3
147.11664	14.2
149.09587	4.5
149.13205	1.7
151.11147	1.2
155.08501	1.2
156.09267	0.9
157.10106	4.8
158.10878	1.2
159.11679	11.2
161.09583	1.9
161.13188	4.2
163.11113	4.7
169.10042	2.4
171.11661	3.0
173.09610	1.3
173.13248	11.4
175.11143	3.2
175.14821	1.3
177.12683	3.3
183.11668	3.7
185.13293	1.8
187.11308	0.9
187.14777	2.4
191.14287	2.7
197.13187	3.8
199.14830	2.5
201.12714	2.6
203.14238	1.6
203.81880	0.8
213.16328	1.6
229.19341	1.2
239.15645	0.8
239.17947	4.0
247.20587	1.2
257.18936	13.7
275.20026	100.0
275.27698	8.9
276.20432	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	275.091
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02361	0.1
53.03932	0.4
55.01867	0.2
57.55090	0.1
61.86119	0.1
62.02480	0.1
63.88365	0.1
67.01861	0.1
67.05493	0.2
70.49216	0.1
70.49557	0.5
77.03904	0.2
79.05466	0.7
79.05865	0.1
81.07060	0.2
85.02887	0.2
91.05426	0.2
93.07040	0.2
95.04942	0.9
96.03355	0.1
102.07094	0.1
105.04481	0.1
105.06989	0.3
107.04933	100.0
108.05262	0.9
109.06512	0.2
119.08597	0.1
121.06515	0.3
123.04414	0.6
123.08002	0.1
127.03873	1.0
131.08563	0.2
133.10069	0.2
133.99866	0.1
147.11664	0.1
149.05942	1.3
151.03880	1.3
157.10173	0.2
169.04935	11.2
170.05334	0.2
175.11220	0.2
181.04892	0.2
212.20602	0.1
257.08066	0.1
275.09058	3.5
275.13608	0.2
275.20035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
53.09589	0.6
55.01857	1.8
55.05497	0.6
56.05032	0.7
56.96560	4.6
57.03428	3.0
58.99581	5.4
67.05493	1.9
69.03409	2.9
69.07063	4.2
70.06581	1.3
70.59621	1.7
70.60039	1.2
70.98113	1.2
71.04993	0.6
72.08128	0.9
72.93789	0.6
73.02893	0.9
76.02217	27.6
76.03991	1.6
79.05482	7.4
79.17667	0.6
81.03387	1.1
82.06572	0.7
84.04481	1.1
84.08142	3.1
84.96011	0.8
85.02882	2.6
85.04022	0.7
86.99046	1.6
87.04488	0.6
95.04921	0.9
95.06107	0.7
96.08128	1.5
97.02873	1.8
97.06517	100.0
98.05992	0.7
98.97575	4.9
99.04464	0.6
108.08107	0.7
109.02866	0.9
113.07103	1.3
114.09174	1.6
116.01667	7.1
116.98628	3.4
119.01921	1.3
121.08888	0.9
127.03992	0.8
128.05269	1.2
128.98599	1.0
129.10254	0.8
131.00148	0.7
134.85240	0.6
134.99648	1.6
140.07010	1.4
144.01115	4.7
145.01733	1.2
149.01250	0.6
151.30263	0.6
154.06857	1.9
158.99644	1.2
161.10075	0.6
162.02191	19.0
163.02769	1.3
165.00726	1.2
172.07857	0.7
172.97562	0.8
174.96907	0.7
174.99167	0.8
177.00752	1.0
179.04823	27.9
190.98657	1.6
193.54074	1.0
202.54683	1.7
203.07655	0.7
208.99721	0.9
214.54662	0.6
219.01816	1.1
232.99649	1.3
237.02725	1.0
242.03351	1.4
244.55702	0.8
250.03381	0.6
251.00659	1.1
257.09470	6.3
257.11517	0.6
260.04446	0.8
265.56311	2.6
274.56769	3.7
274.97690	1.5
275.06683	0.6
275.10944	7.1
275.16919	1.7
292.98468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05501	16.8
57.07065	12.0
58.77950	1.8
67.05499	25.2
69.07058	38.5
71.08611	3.9
71.80154	2.2
71.80565	2.6
79.05482	13.2
81.07047	86.5
83.08614	14.9
84.87634	2.1
91.05463	15.8
93.07037	43.1
95.08601	81.6
97.10145	11.0
105.07015	30.0
107.08574	63.2
109.10143	65.7
111.11704	4.9
119.08558	29.8
121.10134	48.7
123.10853	3.6
123.11691	48.3
124.12089	1.9
131.08508	2.9
133.10118	18.3
135.11678	35.6
137.13284	11.5
145.10133	3.0
147.11674	20.9
149.13243	49.2
151.14789	7.4
153.01799	5.3
161.13228	28.5
163.14789	30.5
165.16321	2.7
175.14769	11.9
177.16354	22.4
186.25838	1.9
189.16374	21.1
191.17946	16.7
203.17957	17.6
215.17981	2.0
217.19528	27.2
218.19902	1.9
225.40160	1.9
231.21111	3.1
246.19363	2.5
273.07678	2.6
273.22577	6.9
273.25729	100.0
274.27496	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	275.016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45377	20.3
69.91503	75.0
69.91918	53.4
85.02906	34.6
98.20730	24.3
111.12406	17.8
113.07127	33.0
113.92372	18.3
114.09175	23.2
114.82399	17.9
119.01907	24.6
155.01857	43.8
173.02881	32.2
249.57324	17.4
275.01556	100.0
275.06284	23.2
275.10986	75.7
282.66098	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	275.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	81.6
62.78646	1.5
69.03387	1.7
70.24725	6.5
70.97738	3.0
70.98110	44.0
74.97601	2.0
76.65962	1.5
81.95495	1.5
85.02921	1.8
86.00615	1.5
88.98651	2.0
88.99151	21.5
98.97557	24.1
101.00842	2.1
107.00177	5.0
110.97552	1.9
116.98592	14.5
119.01925	9.4
128.98579	6.7
130.08611	6.8
134.99608	6.1
143.01880	2.6
145.03401	1.8
146.99629	21.0
154.96519	6.9
155.01901	2.9
159.26540	1.7
161.02823	2.7
165.00679	15.9
166.56374	2.1
172.97540	36.6
174.99168	2.3
190.98607	100.0
191.99088	1.9
193.00214	2.6
196.42876	1.7
200.97021	2.6
205.00200	10.6
208.99670	16.8
214.00230	2.6
214.67226	1.8
214.98605	4.7
215.56322	1.6
218.98108	26.7
223.01268	7.6
223.53903	1.6
232.99667	54.8
236.99127	9.4
251.00713	31.8
257.01459	1.8
273.91946	1.7
274.97708	7.7
275.01508	6.4
275.10941	6.7
292.98441	4.6
293.10764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2571
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.07373	1.4
55.05491	8.4
57.07051	3.5
62.68454	1.2
67.05486	7.5
69.07054	27.2
69.23850	1.2
71.40365	3.0
79.05477	7.3
81.06590	1.9
81.07040	26.0
83.08615	7.4
91.05483	3.3
93.07023	19.5
95.07991	1.8
95.08592	28.1
97.10105	2.9
105.07011	6.2
107.08570	32.4
109.10130	25.0
111.11708	4.0
119.08539	6.5
121.10117	23.0
123.11692	9.2
128.92686	1.3
133.10089	5.0
135.11653	13.7
137.13219	2.6
147.11673	6.0
149.13229	38.5
151.14781	2.1
152.88745	1.2
161.13226	5.3
163.14792	100.0
164.15131	3.5
168.00745	1.3
175.14799	7.3
177.16333	10.6
189.16347	5.3
190.25574	1.1
191.17920	22.0
203.17871	8.9
217.19489	9.6
220.55350	1.4
234.76926	1.2
273.23175	1.6
273.25726	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	273.2207
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05499	6.4
57.07058	2.7
59.04982	1.5
65.39356	1.1
67.05499	8.3
69.07045	5.8
70.88889	2.8
70.89216	1.5
71.04978	14.5
71.08615	1.4
79.05476	6.3
81.07043	34.9
81.07523	2.2
83.04987	2.5
83.08598	3.4
85.06519	3.3
91.05458	8.6
93.07031	21.3
95.04957	3.5
95.08595	23.7
97.06499	1.9
97.10134	3.1
105.07012	34.1
107.08582	23.5
109.06512	6.1
109.10118	8.2
109.43937	1.2
111.04469	2.0
111.08056	18.8
113.09638	8.4
117.06996	5.8
119.04964	1.5
119.08562	60.4
121.10124	23.2
123.08070	2.0
123.11689	12.9
129.06940	2.1
131.08542	17.4
133.10104	13.0
134.23253	1.5
135.11684	7.4
137.09534	2.3
142.07761	3.0
143.08574	7.5
144.09294	3.2
145.10092	26.8
147.04362	3.0
147.11642	12.7
149.09561	1.8
149.13219	7.2
151.11082	2.1
153.01794	4.0
156.09294	1.8
157.10100	15.7
158.10928	1.6
159.11662	60.7
161.13234	15.1
163.11127	1.7
163.14772	5.2
169.10049	1.5
171.11676	7.7
173.13232	17.2
175.14824	5.6
177.12688	7.6
179.14268	2.2
185.13220	9.0
187.14764	7.2
189.16353	5.0
199.14775	15.2
201.16429	1.8
203.14197	1.6
203.17937	4.1
213.16296	11.7
215.17914	76.1
216.18306	1.9
217.15767	2.5
227.17949	10.4
229.19423	9.7
231.17375	1.7
231.21008	2.0
255.21039	58.6
273.07550	4.7
273.18634	6.6
273.22079	100.0
274.22501	2.0
274.27258	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	273.1843
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.82104	0.5
53.03928	0.8
53.56279	0.5
55.01857	2.2
55.05506	8.2
55.25214	0.5
57.03411	1.2
57.07053	1.1
59.05003	0.7
65.03919	0.6
67.05495	8.4
69.03400	1.3
69.07053	5.5
69.65238	4.7
71.04969	1.1
78.87617	0.5
79.05489	7.6
81.03398	1.1
81.07040	9.5
83.04964	1.8
83.08602	2.2
85.06526	0.9
91.05470	16.8
93.07029	6.7
93.55179	0.6
95.04970	2.4
95.08595	5.5
97.06522	1.3
97.10146	1.3
99.08073	0.6
103.05428	0.8
105.03350	0.8
105.07021	14.9
107.04942	2.3
107.08591	5.7
108.66052	0.5
109.06476	1.7
109.10140	3.7
111.08051	0.9
114.69681	0.5
115.05465	1.4
116.06178	1.0
117.06999	11.3
119.04910	1.0
119.08572	14.0
121.06473	2.0
121.10120	2.5
123.04393	0.8
123.08024	2.0
123.11677	0.7
128.06183	1.6
129.06978	7.3
130.07753	1.7
131.08549	26.8
133.06473	2.3
133.10112	5.5
135.08022	2.0
135.11665	1.6
137.09569	1.0
141.06969	1.0
142.07780	1.6
143.08522	9.1
144.09291	0.5
145.06444	1.9
145.10106	19.3
147.04387	1.8
147.08034	11.0
147.11710	2.8
149.09610	1.5
153.01807	3.2
153.07016	0.6
154.33252	0.6
155.08553	1.7
157.10112	6.8
159.08025	4.4
159.11665	5.8
161.06032	0.5
161.09625	6.2
161.13231	1.0
163.11159	1.2
167.08488	1.1
169.10106	1.5
171.08037	0.6
171.11627	3.6
173.09628	2.0
173.13261	2.3
175.11201	3.6
177.09067	1.1
181.10141	1.6
183.11688	0.8
185.09572	1.3
185.13202	2.2
187.11191	1.6
189.12769	0.8
191.10571	0.6
195.11729	2.0
197.13278	0.8
199.11124	1.9
199.14830	1.1
201.16322	0.6
203.10654	1.0
209.13280	1.3
211.14854	0.9
213.12762	1.0
213.16455	1.2
217.12299	0.7
217.15878	1.4
227.14272	0.7
227.17903	3.9
229.15746	0.7
231.13687	0.8
231.17424	0.6
237.16290	2.7
245.18933	2.9
255.17453	9.7
273.07535	3.5
273.18457	100.0
273.29666	4.3
274.18826	1.5
274.27332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.25005	1.2
53.03934	1.4
55.05507	11.4
57.03410	1.5
57.07080	8.4
58.52598	1.1
59.04982	1.8
65.03938	1.7
67.05495	19.6
69.03407	3.7
69.07056	22.6
71.04960	2.3
71.08612	2.1
71.46293	1.2
79.05492	15.6
81.07049	38.1
83.04967	5.4
83.08616	8.7
85.06528	3.6
85.10174	1.3
91.05468	17.3
93.07034	28.8
95.04937	6.7
95.08594	39.8
97.02802	1.3
97.06503	1.9
97.10167	4.8
99.04400	1.3
103.05430	1.4
105.07019	31.5
107.04925	2.2
107.08582	32.9
109.06514	16.1
109.10153	22.3
111.08089	1.6
111.11729	2.9
115.05396	1.7
117.07043	7.5
117.07749	1.4
119.04923	8.2
119.08566	30.7
121.06447	2.7
121.10133	30.6
123.04420	2.2
123.08059	4.6
123.11712	10.6
128.06195	3.0
128.20282	1.0
129.06960	6.7
131.08559	13.4
133.06496	9.0
133.10106	20.4
135.08060	6.4
135.11676	17.2
135.57722	1.3
137.05983	1.4
137.09537	1.3
137.13217	4.8
141.06993	4.0
142.07761	6.2
143.08542	17.3
144.09264	1.8
145.06433	1.1
145.10114	19.6
147.04388	26.4
147.08054	3.0
147.11662	19.7
149.05983	2.0
149.09624	7.7
149.13232	14.8
151.03893	1.4
151.14905	1.4
153.01810	58.0
153.06944	2.7
154.07797	1.4
155.08556	9.1
156.09348	11.0
157.10124	23.0
158.10895	2.0
159.08043	2.3
159.11699	11.1
161.09625	5.8
161.13235	8.6
163.11151	2.1
163.14825	10.9
165.06953	3.3
166.07782	1.3
167.08522	4.9
167.10651	2.4
168.09340	1.6
169.10120	14.8
170.10831	4.3
171.02911	2.1
171.11673	24.1
172.12346	2.6
173.09616	14.4
173.13243	10.4
174.10396	2.7
175.11218	6.8
175.14809	4.6
177.16321	6.9
180.09325	1.9
181.06470	2.7
181.10098	5.1
182.10843	10.0
183.11717	8.3
184.12454	2.3
185.09619	2.6
185.13211	8.2
185.66769	1.2
186.13947	2.3
187.11195	3.1
187.14827	3.5
189.09247	1.3
189.12703	11.1
189.16325	7.3
191.17928	2.9
193.10135	3.1
194.10843	1.7
195.11700	7.1
196.12524	4.5
197.13237	32.8
198.13963	2.6
199.11157	13.7
199.14795	1.8
203.17886	5.9
207.11647	3.3
208.12494	1.8
209.13284	2.4
211.11324	1.8
211.14824	11.5
212.11987	1.5
212.15526	9.3
213.09242	1.4
213.12976	5.8
213.16345	19.4
214.13533	2.0
215.14294	7.7
217.12218	2.3
217.19489	6.8
222.14058	2.5
225.12772	3.4
227.14314	9.6
227.17924	3.3
229.15825	9.1
230.16681	2.7
231.17435	4.8
231.21161	1.1
237.16415	6.2
240.15009	5.3
255.17424	50.1
273.07550	56.7
273.18478	100.0
273.25726	54.5
274.07919	3.1
274.10818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05502	5.2
55.31784	1.0
57.03418	1.3
57.07063	3.0
63.97241	0.9
65.03925	1.6
67.05501	8.5
69.03423	2.0
69.07045	4.4
69.70736	9.2
71.04988	4.9
79.05476	5.4
81.07047	10.0
83.04956	5.6
83.08608	3.5
83.55920	1.1
85.02902	1.6
85.06533	4.2
91.05447	10.4
93.07030	9.9
95.04394	2.1
95.04958	25.6
95.08591	7.7
97.06506	2.4
97.10108	1.2
99.08069	2.2
105.07015	15.2
107.08584	11.4
109.06507	27.5
109.10132	8.4
111.08064	3.9
113.05959	2.1
115.05412	1.2
117.06995	4.8
119.04955	1.6
119.08566	24.5
121.06499	1.4
121.10127	6.4
123.08059	18.7
123.11699	2.0
128.06248	1.5
129.06981	4.0
130.07834	2.2
131.08543	15.0
133.06496	1.6
133.10115	11.6
135.08061	8.7
135.11678	3.5
137.09605	10.3
141.06931	2.8
142.07764	8.4
143.08528	11.3
144.09375	2.0
145.08951	2.4
145.10106	37.9
147.04424	1.1
147.08076	5.4
147.11676	16.4
149.09590	2.8
151.07507	2.1
151.11154	4.6
153.01811	2.4
154.07780	1.2
155.08580	5.1
156.09351	9.1
157.10117	23.9
158.10922	5.4
159.08061	3.4
159.11693	14.0
161.09641	5.6
161.13235	4.8
163.11182	3.4
165.06975	1.4
167.08549	3.6
169.10075	4.9
170.10889	2.2
171.11673	21.5
172.12462	3.2
173.09627	9.2
173.13225	24.6
174.10352	3.1
175.11179	9.4
175.14783	1.3
177.12726	3.3
181.10072	4.0
182.10913	5.0
183.11678	4.6
185.09576	1.9
185.13226	9.3
187.11169	15.9
187.14781	6.6
189.12730	14.9
191.10658	1.3
191.14238	1.1
192.60400	1.1
193.10153	1.4
195.11740	3.7
196.12544	1.6
197.13229	13.6
199.11124	8.7
200.11964	1.6
201.12746	3.3
203.14290	4.8
203.17990	1.2
207.11787	1.7
211.14784	3.3
212.15587	3.2
213.12715	4.1
213.16353	14.3
214.13441	2.0
215.14290	35.9
217.12202	7.5
227.17900	2.8
229.15868	3.0
230.16838	1.2
231.17407	14.8
237.16263	5.1
243.13889	1.2
255.17421	28.5
273.03958	1.0
273.07578	3.4
273.18469	100.0
273.21429	3.2
274.18423	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	273.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.7
57.03427	21.6
61.02919	20.2
69.03421	35.8
70.84983	31.1
73.02909	37.0
76.44887	10.8
76.69563	11.8
85.02885	100.0
97.02883	29.2
107.60905	10.5
114.09157	12.8
119.01865	26.2
127.03918	37.9
143.01903	79.7
145.04945	19.8
155.01906	32.1
159.04968	9.8
161.02942	77.2
161.44626	11.6
173.02995	52.8
174.04486	25.1
175.02734	10.9
179.48152	11.0
183.04967	64.4
185.02921	17.7
192.05511	44.0
203.04053	38.1
204.04080	11.4
220.51604	10.9
245.05145	16.7
263.06149	41.5
273.03745	48.1
275.06113	12.6
294.52161	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	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04660	0.4
55.01852	0.4
56.96535	0.6
67.01862	2.8
67.05506	0.6
68.99783	1.1
69.03404	1.7
69.07051	0.6
69.76668	2.6
70.06561	0.7
79.01839	0.4
79.05471	1.1
81.03377	0.6
83.01321	0.8
84.08128	0.3
86.09669	0.9
91.05463	5.4
93.07025	0.4
95.04935	1.9
97.02878	1.1
97.06486	0.7
103.05475	2.2
104.05782	0.8
105.06995	0.8
107.04920	3.1
107.08596	0.4
108.05305	0.4
109.02871	0.4
111.00764	0.7
114.09114	0.9
115.05430	0.4
119.04923	16.4
121.06480	1.1
123.04407	3.6
125.09657	0.4
128.10680	1.2
131.04883	1.0
132.05237	0.6
147.04385	47.0
148.04706	0.7
149.05945	1.0
151.03815	0.7
153.01801	100.0
154.02124	1.6
157.06421	0.6
170.05977	1.4
171.02873	5.2
171.04333	0.7
177.02188	0.6
178.02515	0.5
179.03348	1.3
181.06404	1.2
188.06973	0.7
189.05519	0.9
195.03265	0.6
196.03513	0.4
224.80513	0.4
231.06483	0.4
241.03833	0.5
241.08557	0.8
255.06384	0.8
273.07532	94.8
274.04688	1.2
274.07831	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	272.1128
Annotation	Deidaclin
Peak:m/z	Relative Intensity
56.96558	5.1
57.03433	1.9
61.02926	2.1
65.03932	4.4
67.05497	0.4
69.03421	4.2
70.06582	1.1
70.16183	1.4
70.16609	0.8
70.98100	0.7
71.04987	0.7
73.02906	2.3
76.65969	0.4
80.05013	0.4
81.03412	1.5
83.06090	0.4
84.08125	1.0
84.96030	1.1
85.02897	10.5
85.06499	0.4
86.09689	0.7
87.04440	1.2
90.81964	0.3
91.03944	0.8
92.04994	60.6
92.07885	0.5
93.05780	5.3
94.06559	10.2
95.06090	0.4
97.02879	4.0
98.21329	0.5
98.97572	4.5
99.04427	0.9
99.97900	0.5
103.03943	0.8
109.02866	1.0
110.06029	100.0
110.07090	4.0
110.97552	0.7
111.06355	0.5
112.99124	0.9
114.09163	0.8
116.98620	3.1
119.01883	1.6
121.01656	0.6
127.03911	2.6
128.02216	0.4
128.98604	1.0
130.08623	0.6
131.00157	0.5
131.01852	0.5
133.03374	0.5
134.99632	1.0
135.03165	0.4
138.05379	0.5
140.02321	0.6
140.98650	0.5
145.01704	0.6
145.03529	0.4
145.04956	1.4
146.99615	1.0
149.02838	0.6
152.07039	2.9
153.05740	2.5
154.03807	0.8
156.07716	0.4
158.99612	1.5
161.01221	0.7
161.02895	0.7
161.06657	0.8
162.06346	1.4
163.02873	0.6
163.04390	2.0
163.12283	0.4
169.04405	1.4
170.04990	1.0
170.99608	1.1
177.00703	1.5
177.04089	0.9
178.04895	3.3
178.55188	0.5
182.03343	1.2
189.00739	0.6
191.03911	2.1
191.54166	0.4
200.04434	1.5
201.00807	0.5
205.00186	0.7
207.01817	0.5
212.04260	0.4
212.09215	0.4
213.03294	0.4
219.01790	0.5
222.06505	0.5
226.15536	0.5
230.06960	0.5
230.98195	0.5
237.02850	0.6
242.05426	0.7
248.07953	0.5
248.99135	2.3
249.08394	1.1
254.10262	2.8
254.15118	0.5
263.06033	0.5
267.00320	0.7
272.06479	1.1
272.11258	39.9
272.15607	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	272.1277
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
53.03933	0.5
55.01876	0.6
55.05488	0.8
55.30510	0.5
57.03421	0.8
58.06587	0.4
67.05482	0.7
69.07050	0.9
70.06583	4.1
71.78383	0.6
72.08140	1.9
73.08456	0.6
79.05469	1.9
81.04584	0.5
84.04491	1.7
84.08113	1.9
85.02894	0.6
86.06044	0.6
86.09708	2.2
86.68508	0.5
91.05470	1.7
92.04987	0.7
93.07007	0.6
95.04933	1.0
95.08605	0.9
97.02861	0.7
99.98660	0.5
103.05422	1.4
105.07021	0.8
107.04934	100.0
108.05246	0.8
109.02869	0.6
109.06479	0.5
110.06010	1.1
110.07174	1.0
110.09675	0.4
114.09145	1.6
115.05433	5.3
115.06125	0.8
116.07054	1.0
117.06985	1.0
119.04911	1.0
121.06485	2.2
123.04406	8.5
124.03950	0.6
127.03899	0.6
129.10239	0.8
130.06514	1.9
131.04880	2.2
133.06445	1.3
134.06042	0.5
135.04385	0.7
136.07545	0.6
137.05971	1.2
143.04883	9.7
145.06470	6.0
146.06000	0.7
147.04401	1.0
149.05913	2.4
153.01871	0.8
153.06944	0.9
155.06032	0.7
157.07590	2.3
161.05952	18.8
163.03917	1.0
164.06996	1.3
166.07365	0.7
167.07069	0.5
177.00534	0.5
181.06480	0.8
181.10112	0.8
191.08493	1.1
194.07259	2.0
195.07993	0.5
209.09575	2.7
211.07465	0.7
219.08035	0.8
226.06151	0.6
226.15515	0.5
237.09064	4.0
240.07805	1.2
254.17516	1.5
255.10136	30.9
272.10260	4.6
272.12805	61.0
272.18546	6.4
273.03793	0.7
273.07697	0.6
273.13171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2416
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.78850	0.8
55.05500	5.1
57.07052	2.0
58.59688	0.9
67.05499	5.4
69.07054	9.5
75.80784	1.0
79.05473	4.0
81.06603	1.0
81.07041	15.8
83.08606	4.5
91.05453	4.4
93.07022	11.8
95.08592	24.4
97.10139	2.6
98.21459	1.7
105.07018	10.9
107.08574	16.2
109.10133	18.4
111.11701	1.3
117.06966	1.7
119.08558	18.6
121.10126	22.8
123.11678	6.8
131.08525	6.3
133.10089	10.8
135.11665	10.7
137.13173	4.5
143.08527	1.3
145.10092	13.1
147.11665	9.5
149.13249	7.7
157.10152	1.8
159.11662	13.4
161.13217	11.9
163.14781	6.7
166.32492	0.9
171.11560	1.2
173.13246	8.6
175.14796	11.5
177.16364	12.4
185.13269	1.4
187.14735	10.9
189.16354	8.7
190.17131	1.0
199.14809	2.5
201.16377	12.2
203.17912	1.8
213.16364	2.2
215.17911	11.2
227.17899	1.2
228.18707	1.9
229.19492	5.3
236.63606	0.8
271.24158	100.0
272.24387	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	271.2415
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.01572	1.2
50.65914	1.2
55.05504	8.7
57.03426	1.0
57.07054	3.7
67.05497	10.2
69.03407	1.7
69.07056	14.3
71.79546	1.1
71.79941	1.5
79.05481	7.3
81.07045	22.4
83.04927	1.1
83.08604	6.8
85.06476	1.3
91.05482	7.5
93.07022	13.6
95.04950	1.8
95.08597	26.7
97.06478	1.7
97.10143	3.9
99.92967	1.1
104.39255	1.2
105.07006	14.3
105.63302	1.0
107.08579	19.2
109.02888	1.3
109.06502	2.2
109.10142	18.8
110.06033	1.4
111.11655	1.4
115.05453	1.5
117.07002	5.5
119.08562	26.4
121.10127	18.8
122.45712	1.2
123.11702	9.1
127.03866	1.4
129.07019	1.4
130.07742	2.1
131.08528	11.1
133.10101	14.8
135.11655	12.5
137.06010	1.2
137.13219	3.3
142.07774	2.4
143.08537	4.0
144.09305	1.5
145.10100	21.4
147.11636	12.8
149.13234	9.2
155.08569	2.7
157.10112	5.7
158.11000	1.8
159.08032	12.3
159.11658	18.1
161.13235	12.3
163.14816	7.9
165.07011	2.1
169.10081	3.8
171.11655	4.6
173.09607	2.1
173.13237	13.6
175.14807	11.1
177.16356	5.1
181.10413	1.3
183.11607	2.6
185.09572	1.8
185.13203	2.0
187.14777	15.1
188.15536	1.8
189.16335	11.6
197.13176	1.3
199.14818	3.6
201.16379	14.3
211.11119	1.5
211.14667	1.5
213.16344	4.4
215.17935	11.1
225.16415	2.0
226.10620	1.4
227.17853	2.5
228.18631	2.4
229.19452	4.4
235.20557	1.2
242.20334	1.3
253.15977	1.7
253.19373	1.8
271.09747	2.2
271.17224	9.5
271.20667	7.6
271.24161	100.0
272.24341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2414
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.13050	0.9
55.05503	5.3
57.07056	2.9
59.07018	0.9
66.19672	0.9
66.31722	1.0
67.05486	8.6
69.07049	11.6
69.53719	1.3
69.54266	9.9
71.08612	1.0
79.05474	6.0
81.07041	17.9
81.60493	0.9
83.08582	4.3
91.05460	4.1
93.07036	14.5
95.07996	1.7
95.08593	28.2
97.10154	1.2
98.21416	1.7
105.07017	9.3
107.08569	15.1
109.10143	17.6
117.06984	2.2
119.08566	22.2
121.10127	28.3
123.11698	7.3
131.08560	7.3
133.10104	13.2
135.11697	7.5
137.13234	2.5
144.09267	1.4
145.10101	15.0
147.11642	11.0
149.13226	8.6
159.11665	13.5
161.13237	16.3
163.14790	7.1
171.69226	1.2
173.13231	12.1
175.14777	10.8
177.16301	5.1
187.14767	8.1
189.16354	4.6
199.14803	1.2
201.16374	13.0
203.17992	2.5
213.16187	1.5
215.17911	14.9
220.23355	1.1
229.19502	8.4
243.21024	1.3
271.24167	100.0
272.24548	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	271.1688
Annotation	Oropheic acid
Peak:m/z	Relative Intensity
53.19112	1.6
55.01852	6.9
55.05489	5.4
57.03415	2.2
57.07065	3.5
59.04922	1.8
63.78761	1.6
67.05484	7.4
69.03401	4.1
69.07066	9.1
70.06563	4.6
71.04110	3.4
71.04482	3.3
71.04979	2.4
79.05486	11.8
81.03381	4.1
81.07042	13.8
83.04962	10.6
83.08600	2.5
85.02861	1.9
85.06516	3.4
91.05460	16.6
93.07019	6.8
95.04948	15.0
95.08580	6.7
97.02836	1.7
97.06515	6.9
103.05445	2.3
105.07027	13.9
107.04951	12.0
107.08566	6.2
109.02872	2.2
109.06483	4.3
109.10129	5.1
111.04404	6.5
113.06036	1.9
115.05465	4.3
117.03416	2.1
117.06992	4.0
119.04913	10.3
119.08575	18.9
121.06498	8.5
121.10098	3.0
123.04454	1.9
123.08062	2.3
125.05984	9.2
128.06171	3.4
129.06949	8.2
130.07756	3.4
131.04872	1.9
131.08562	11.2
133.06442	2.5
133.10098	12.3
137.05995	8.4
139.07529	4.5
141.06964	11.0
142.07780	8.7
143.08562	12.5
144.09267	2.6
145.06442	2.8
145.10098	10.2
147.04312	3.4
147.08000	3.9
147.11655	4.6
149.02322	2.2
149.05972	4.9
151.07544	2.9
152.06226	5.2
153.06958	22.3
154.07713	6.2
155.08527	27.2
156.09294	6.0
157.06474	3.3
157.10078	22.0
158.10913	2.7
159.08003	3.0
159.11650	9.3
160.82736	1.8
161.05940	2.0
161.09540	3.5
165.06978	62.4
166.07564	5.2
167.08548	9.2
168.05699	7.2
168.09250	8.4
169.06456	6.6
169.10092	27.5
170.10851	4.5
171.08014	6.1
171.11639	9.3
173.09581	4.7
173.13249	9.6
175.14812	3.1
179.08487	4.7
180.09276	2.5
181.06444	14.9
181.10081	14.9
182.07254	7.9
182.10869	8.2
183.08038	35.1
183.09650	2.8
183.09975	1.7
183.11641	21.6
184.08421	1.8
184.12358	2.6
185.05995	3.8
185.09621	9.5
185.13190	5.5
187.11177	6.3
187.14795	2.2
189.00444	1.8
193.06372	12.6
193.10080	7.4
194.07231	2.5
195.08014	3.6
195.11658	11.2
196.05144	6.2
196.12376	5.1
197.05936	5.6
197.09575	11.3
197.13234	20.4
198.06728	2.1
199.07512	3.3
199.11136	1.8
199.14700	2.7
200.08322	3.9
201.09134	2.1
207.04375	4.1
207.11626	3.1
209.09456	3.2
209.13251	4.7
210.06697	4.3
210.10469	2.7
210.13937	4.4
211.07515	31.1
211.11101	11.0
211.14743	13.8
212.08176	4.7
213.12724	4.3
213.16316	4.7
215.10651	4.6
220.12473	2.8
221.05928	14.7
223.11176	3.2
223.14813	7.4
224.11832	1.9
225.09100	4.4
225.16347	23.2
226.14366	2.7
228.07787	2.8
229.12177	1.7
235.14743	5.7
238.13507	3.3
239.06989	7.0
240.14999	2.6
241.12215	2.3
242.09285	3.0
243.10210	4.5
253.08575	2.5
253.15852	13.1
256.07336	3.7
266.11603	1.7
271.09607	86.7
271.16885	100.0
272.10056	9.5
272.17200	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	7.1
55.05485	8.7
56.05018	5.8
56.96547	6.6
57.03431	3.9
57.07053	6.3
59.07309	1.9
60.05641	2.3
61.02912	4.3
62.18857	2.0
67.05499	11.6
68.05035	2.8
68.35322	1.7
69.03408	8.9
69.07052	12.5
70.06580	44.5
71.04973	4.2
71.08606	2.8
71.78907	2.9
72.08144	100.0
73.02897	5.5
73.08455	3.8
76.03983	7.4
79.05470	7.7
81.03399	6.2
81.07059	10.8
83.04932	3.4
83.06085	2.5
83.08605	4.8
84.04494	65.0
84.08135	16.6
85.02887	12.6
85.04828	1.9
86.06049	4.3
86.09686	6.7
87.04462	2.2
91.05453	8.8
92.05010	2.4
93.07028	5.1
94.06566	2.8
95.04950	19.1
95.06081	3.3
95.08594	9.5
96.08121	3.4
97.02862	8.2
97.06545	2.4
97.10185	2.4
98.09673	5.5
98.97562	15.0
99.04443	2.8
100.07530	2.6
103.03915	5.7
103.07564	3.6
104.05130	2.5
105.07024	4.7
106.06544	2.3
107.04933	9.7
107.08586	3.9
108.04462	2.4
108.08096	5.9
109.02854	12.5
109.06525	2.9
109.10160	5.4
110.06012	7.3
110.07121	9.1
110.09664	19.0
111.04389	2.9
111.09956	2.2
113.05927	2.2
114.09122	2.8
114.10262	3.8
116.07074	9.2
116.98622	11.7
117.03375	2.0
117.06961	2.3
118.03624	1.9
119.04911	3.4
119.08543	2.8
120.08106	2.6
121.06456	2.1
121.10126	3.4
122.09637	6.1
123.04401	4.6
123.11737	2.4
124.07574	3.1
125.05975	2.7
125.07465	28.3
125.57602	3.6
127.03927	9.8
128.10648	2.5
129.10199	6.1
130.04990	44.3
133.02805	3.0
133.10085	3.8
134.99643	5.3
135.04425	3.3
135.09145	3.3
137.05968	5.7
137.10640	2.0
140.03366	5.7
140.05257	10.1
140.85942	2.3
140.86987	2.1
141.05519	3.1
141.06596	3.8
142.33488	2.1
145.02884	2.7
145.06143	2.7
146.09602	2.3
146.59523	3.9
146.99673	2.4
147.04388	8.3
148.11232	2.7
149.06000	3.4
149.09615	2.1
149.10739	4.2
151.03860	4.6
151.07428	2.5
152.05263	8.0
153.05458	7.1
153.06972	5.8
154.04980	40.9
154.06816	13.5
155.08435	5.3
158.99606	5.8
161.06073	2.8
162.05409	5.4
162.11365	2.7
163.03903	7.7
163.12276	10.6
164.13058	11.7
165.05556	3.6
165.06958	12.4
165.13898	2.8
171.05957	3.8
177.00655	5.6
177.03270	2.8
177.05504	4.4
178.06853	6.7
179.03453	2.6
179.07074	3.4
179.60085	6.5
179.78642	2.0
180.08418	7.1
181.06371	3.0
182.05721	8.0
182.56691	2.2
183.08031	5.9
189.59531	2.1
193.06467	3.3
194.08119	5.6
195.01637	2.4
195.09491	4.1
197.05992	4.4
197.08032	3.6
197.11063	3.5
207.06401	3.2
209.07976	2.7
210.14859	4.0
211.07469	9.8
212.09212	2.7
212.12698	3.0
213.07062	2.4
219.03395	5.7
225.07423	3.6
225.11298	4.3
231.04330	6.4
235.20656	2.4
237.02777	3.0
248.12720	3.0
249.14297	3.2
250.05928	2.4
259.88260	2.1
262.63019	3.3
271.07361	2.8
271.10101	20.3
271.13840	15.0
271.16959	7.1
271.23871	3.5
271.26349	5.7
272.07498	13.3
272.10651	4.1
272.16190	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	271.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60497	0.4
53.03925	0.3
55.01865	0.6
55.05501	3.3
55.07183	0.4
56.05021	0.5
56.96552	3.3
57.03426	0.7
57.07056	0.8
60.05620	0.6
61.02912	1.0
61.80354	0.3
65.74383	0.4
66.69176	0.3
67.05481	0.9
68.05021	0.4
69.03413	3.2
69.07050	1.5
70.02918	0.9
70.06580	3.4
71.04974	0.9
71.63145	0.3
71.79119	0.6
72.08141	2.4
73.02903	0.7
73.06530	0.8
73.44901	0.4
74.06924	0.4
78.08978	0.4
79.05473	0.8
81.03386	1.6
81.07022	1.0
82.05317	0.4
83.06084	0.8
83.08592	0.5
84.04494	3.2
84.08113	0.9
84.96021	0.4
85.02895	3.1
85.04836	0.7
85.06523	0.5
86.06046	0.4
86.09738	0.3
87.04478	0.4
91.05444	0.5
94.06521	0.6
95.01310	1.0
95.04930	0.5
95.06066	2.0
95.08589	0.8
96.04471	1.3
96.08112	0.6
97.02842	1.8
97.06519	0.6
98.02365	0.8
98.06034	1.0
98.97575	4.3
99.04441	0.7
105.07027	0.4
106.06542	0.5
107.04906	0.6
109.02841	0.8
110.06008	0.6
110.07150	5.9
110.71806	0.4
112.03939	2.8
112.08698	0.7
113.02336	1.0
114.05508	0.8
114.09139	4.0
116.07085	0.4
116.98572	2.6
119.01865	0.4
121.02863	0.5
121.06451	0.4
123.04442	0.5
124.03928	4.0
127.03916	1.2
127.08693	0.4
128.02412	0.4
128.98589	0.8
130.04991	1.1
134.05984	1.3
134.99632	0.9
137.05870	0.4
140.03404	44.5
140.07007	0.9
141.03712	0.6
141.37874	0.4
142.04953	1.1
145.04941	0.8
146.08182	0.6
146.99612	0.4
147.04327	0.6
148.07545	2.5
149.01170	0.5
152.03391	0.7
152.06972	0.9
155.04622	0.6
156.07591	0.5
158.04466	3.0
158.99626	1.5
159.02888	1.6
160.02475	0.3
161.01154	0.9
162.05426	0.4
163.03938	0.7
163.12311	0.5
166.08685	0.7
170.04483	1.5
176.07074	2.9
177.00684	1.6
188.05547	5.3
189.00581	0.5
189.12065	0.4
191.03836	0.6
192.11276	0.8
193.09724	4.5
194.08099	36.2
195.08450	0.8
197.09113	0.4
204.05408	0.4
205.00238	0.6
208.10802	0.5
208.14397	0.7
211.10750	2.6
212.09154	29.2
213.09496	0.7
219.01620	0.7
226.15427	1.3
229.11809	5.2
236.10266	6.8
237.02777	0.9
248.99196	0.8
254.11365	2.5
254.14975	0.9
271.13968	100.0
272.10645	0.4
272.16473	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	271.0962
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.43377	0.8
55.01862	5.5
55.05495	4.1
57.07047	1.0
65.03909	0.9
67.05490	2.4
69.03422	1.1
69.07056	2.0
70.06576	9.2
71.04960	1.5
72.08146	20.5
79.05450	2.5
81.07044	2.6
83.04953	1.2
83.08598	1.0
84.04501	2.4
84.08125	1.2
85.02860	0.9
86.09672	1.5
89.03894	1.3
91.05467	16.8
93.07024	1.8
95.04941	3.6
95.08600	2.5
97.02909	1.1
97.06503	1.7
99.04410	1.1
103.05438	1.7
105.07008	2.2
107.04926	5.6
109.02888	2.2
109.04786	1.6
109.06516	1.7
111.04438	2.4
115.05425	2.9
116.01630	0.9
116.07076	9.2
118.04118	1.1
118.06509	2.9
119.04935	9.9
119.08517	2.0
120.08064	1.3
121.06468	4.4
121.10120	2.0
123.04432	1.5
125.05924	1.0
125.71780	1.1
127.03939	1.2
128.06279	1.2
129.06995	1.1
131.04919	1.8
131.51569	0.9
133.06462	1.0
135.04433	1.4
136.07538	5.8
137.05978	7.6
140.05272	2.7
141.07002	5.7
145.06503	1.3
147.04372	2.8
147.08014	2.0
149.02274	1.1
149.05907	4.4
150.06749	1.6
152.06198	7.1
153.06963	25.4
153.08864	1.0
154.07700	2.8
155.08536	15.0
156.98953	0.9
157.06473	2.9
159.08026	1.0
161.05991	0.8
163.03854	1.5
164.07112	0.9
165.06973	59.4
166.07449	2.1
168.04521	1.9
168.05887	7.4
169.06432	4.4
170.07249	1.5
171.07935	0.9
172.08723	1.0
175.07550	1.3
177.05298	1.3
179.04866	1.2
181.06450	16.9
182.07175	4.8
183.08026	33.9
185.05939	4.5
193.06317	9.6
195.06384	1.1
195.08055	1.6
196.05199	6.7
197.05945	4.9
198.06729	1.8
199.07431	2.3
200.08298	3.4
207.04382	3.0
209.05966	1.9
210.06744	4.2
211.07513	35.6
212.08105	3.2
213.05399	2.8
213.09007	1.8
215.07065	1.1
221.05928	9.0
225.09041	2.5
228.07837	4.9
235.09738	1.2
239.06970	9.2
240.07555	1.6
242.09340	5.3
243.07945	2.6
243.09975	4.4
253.08304	1.6
271.09628	100.0
272.10004	3.4
272.12704	1.6
279.13461	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	270.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10516	4.4
62.62681	4.3
63.31053	4.1
66.55934	4.4
68.99741	6.1
70.06560	11.0
70.67829	4.5
70.82860	14.4
72.78452	4.7
73.05050	4.8
79.05469	20.0
86.09682	5.5
87.00812	67.9
91.05447	7.9
98.20736	4.7
103.05448	89.0
105.01835	5.1
107.04932	62.9
108.04485	10.3
109.02923	5.8
114.93943	4.8
116.07065	24.1
119.04915	7.9
121.06476	79.8
125.30319	5.1
131.04904	100.0
140.14636	4.4
143.04959	5.3
144.05365	6.5
147.04373	10.2
149.05945	83.8
149.07045	9.2
164.07050	13.5
165.06976	12.8
177.54674	4.2
183.08148	6.1
191.42058	4.5
207.06465	79.8
211.07503	7.3
228.09564	4.7
235.05928	24.8
241.08614	5.6
253.06982	11.2
270.08560	7.4
270.11868	18.1
271.06567	5.0
271.09573	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	270.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18662	7.3
79.05492	21.4
87.00817	70.6
90.03899	3.9
91.05473	15.7
103.05452	91.0
107.04931	55.8
121.06490	86.3
129.65913	4.1
131.04916	100.0
147.04462	5.7
149.05954	80.1
166.52171	3.7
207.06502	85.9
230.31110	4.6
235.05930	24.9
253.07083	16.1
270.15039	6.4
271.09634	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	270.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
55.05503	2.1
56.96567	3.7
57.03435	2.4
57.89123	1.6
59.04986	7.7
61.02916	3.1
68.88041	1.6
69.03408	7.5
69.07063	2.5
70.06586	4.3
70.38265	7.9
70.63581	1.9
73.06544	100.0
75.04457	5.1
77.55005	1.5
81.03383	1.9
82.03557	1.7
85.02897	25.4
87.04462	15.2
89.05987	1.9
90.65786	2.0
91.07577	13.5
97.02869	5.4
98.97564	6.4
103.03932	5.8
103.05457	2.1
109.02848	2.4
110.07136	2.9
116.98611	3.4
119.03412	5.3
121.06548	2.1
127.03897	4.8
131.03413	6.0
139.35532	1.7
141.46138	1.6
142.08318	2.1
145.04941	3.6
147.93823	2.0
153.45166	1.8
155.04662	1.7
158.99712	2.5
161.04422	20.0
161.40434	2.0
162.05449	5.0
177.00668	2.7
212.09190	1.6
217.00233	2.2
217.03406	51.0
224.12753	2.5
235.04420	18.1
270.08340	2.0
270.13351	7.8
271.09576	2.1
271.13904	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	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03922	2.9
55.01847	3.8
55.05505	14.6
57.03428	41.1
57.07050	7.0
65.03915	3.4
67.05495	78.8
68.99759	4.2
69.07060	34.7
69.85627	12.6
71.01340	1.7
71.04969	5.3
71.08601	2.3
79.05481	43.5
81.03381	3.3
81.07043	100.0
83.04962	11.1
83.08598	21.3
85.06522	5.6
91.04932	1.7
91.05469	23.0
93.07029	68.2
95.04941	6.6
95.08593	28.3
97.06500	16.5
97.10154	3.0
99.08069	3.9
105.06995	6.2
107.07895	2.9
107.08575	40.2
108.45908	1.5
109.06461	4.7
109.10135	6.1
111.00759	5.9
111.07397	1.5
111.08066	10.5
117.06998	8.3
117.61416	1.9
119.08540	3.9
121.06423	2.0
121.10139	28.7
123.11690	2.6
125.09616	1.6
131.08533	8.2
133.10109	9.9
134.63501	1.5
135.08003	2.5
135.11673	11.5
139.00238	10.5
139.07484	2.0
139.11125	2.5
145.10120	2.1
149.13231	60.3
157.01315	9.2
159.11674	25.2
167.14301	1.7
177.12694	11.3
192.60574	2.1
195.13786	18.6
213.14880	2.4
228.23180	2.7
269.04388	1.8
269.17389	67.7
269.22415	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03926	2.3
54.32331	1.1
55.01847	2.7
55.05274	1.7
55.05502	19.8
57.03425	37.6
57.07038	4.7
65.03911	2.7
67.05491	80.6
68.42611	1.0
69.03378	1.6
69.07057	36.6
71.04990	6.5
71.08582	1.4
71.79579	1.2
71.80014	2.6
79.05476	44.5
81.03410	1.3
81.07039	100.0
83.04565	1.1
83.04967	12.0
83.08602	19.6
84.78699	1.1
85.06516	7.5
91.05463	24.2
93.07027	79.7
94.07351	1.8
95.04948	9.3
95.08589	29.5
97.06505	17.7
97.10145	2.7
99.04422	1.3
99.08063	5.5
105.07006	12.6
107.04926	2.2
107.08569	38.2
108.04462	1.5
108.08939	1.1
109.06461	4.6
109.10119	6.4
111.04389	1.2
111.08076	9.9
111.11694	1.3
113.05977	2.8
113.09589	1.2
117.06992	10.2
119.08568	6.8
120.68127	1.1
121.06459	3.4
121.10114	24.9
123.08000	2.3
123.11634	4.8
125.05872	1.1
125.09544	1.2
129.06944	1.7
131.07654	1.3
131.08554	13.6
133.10112	12.9
135.07983	3.8
135.11665	12.0
139.07436	1.8
139.11156	2.9
142.54092	1.2
143.08501	2.7
144.08052	1.8
145.10049	3.8
147.11621	4.0
149.09575	2.0
149.13223	57.9
150.13525	2.1
157.10092	3.0
159.11658	27.5
161.13223	3.0
165.12614	1.4
169.10080	2.1
171.11630	3.3
173.13177	2.1
175.14766	1.8
177.12697	15.0
185.13194	1.9
187.14746	1.9
195.13777	17.8
199.14738	2.4
213.14645	2.1
213.16426	1.4
237.08983	3.1
251.16187	1.2
251.20027	1.7
269.07892	2.2
269.17374	69.4
269.22479	9.3
270.17688	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03921	2.0
55.01830	2.4
55.05507	20.6
56.45259	1.8
57.03426	35.2
57.07050	5.0
66.92175	2.1
67.05496	71.0
69.07062	30.4
71.04957	6.1
71.08598	2.5
79.05077	2.9
79.05480	40.7
81.07042	100.0
83.04945	9.5
83.08598	18.9
85.06517	7.1
89.78294	2.0
91.05467	21.1
93.07028	71.9
95.04934	7.5
95.08595	26.4
97.06509	14.6
97.10136	3.4
99.08054	5.3
105.06985	7.0
107.08583	42.0
109.06502	2.6
109.10119	3.6
111.08093	12.1
111.11704	2.0
111.43733	2.2
117.06988	6.3
119.08546	5.0
121.10127	30.0
123.11646	3.2
131.08557	10.4
133.10141	10.6
135.11662	11.2
139.11136	3.7
147.11638	3.1
149.13232	54.3
159.11661	21.5
177.12755	11.3
186.62520	2.3
195.13800	18.6
255.81883	2.2
269.17398	75.5
269.22559	9.0
270.17734	2.6
270.27820	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	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03924	1.4
55.01856	3.5
55.05264	1.9
55.05503	18.0
57.03428	31.2
57.07048	4.1
66.50727	1.5
67.05492	82.6
69.07056	30.0
69.86094	7.1
69.86503	2.9
71.04992	7.5
71.05371	1.3
71.08632	2.5
79.05482	46.7
81.03383	2.5
81.07041	100.0
83.04971	11.7
83.08155	1.9
83.08601	22.1
83.99034	1.5
85.02847	1.4
85.06513	6.4
91.05469	28.2
93.07030	75.4
94.79726	1.4
95.04955	8.6
95.08592	24.7
97.06515	14.7
97.10155	2.5
99.08067	4.9
105.07019	12.1
107.08578	31.9
109.06509	4.0
109.10136	5.5
111.08051	8.9
116.60136	1.3
117.06987	12.4
119.08524	3.6
121.10117	18.9
123.08002	1.6
123.11698	3.8
131.08549	16.2
133.10115	18.9
135.08014	2.2
135.11676	11.8
139.11165	2.2
147.11646	2.0
149.09650	1.6
149.13235	46.5
151.11115	2.3
157.10002	2.0
159.10361	1.9
159.11678	32.3
160.12103	1.6
161.13222	3.1
167.08575	1.4
167.14224	3.2
169.83449	1.3
171.11891	1.6
177.12709	21.9
179.14305	4.1
195.13765	22.1
199.14783	2.4
213.14700	1.8
223.14764	1.6
251.20003	1.5
269.17441	94.4
269.22388	4.3
270.17764	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	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03922	1.8
53.19822	1.3
55.01840	3.2
55.05508	19.1
57.03429	24.6
57.07029	5.3
59.04965	1.9
65.03896	2.1
67.05496	74.1
69.03384	1.8
69.07059	28.7
71.04935	6.8
71.05269	1.5
71.08578	3.1
71.79665	3.0
79.05482	44.3
81.03378	2.6
81.07045	100.0
83.04977	8.2
83.08603	19.3
85.06471	5.5
91.05476	26.7
93.07034	67.7
95.04958	9.4
95.08598	30.3
97.06521	14.3
97.10107	2.7
99.08025	5.3
105.07021	16.4
107.08583	35.6
109.06493	7.3
109.10139	11.1
111.08088	10.9
113.09569	2.5
117.07021	12.9
119.08586	9.3
121.06416	1.7
121.10136	22.6
123.11617	2.9
129.06879	1.8
131.08559	16.1
133.10101	16.8
135.11652	15.9
143.08426	5.9
145.10126	8.5
147.11577	6.5
149.13246	45.3
151.11110	2.6
153.09088	1.8
156.09259	1.8
157.10098	9.6
159.11685	28.7
161.13159	4.4
169.09982	2.0
171.11702	7.3
173.13246	7.2
175.11081	1.8
177.12744	15.4
179.14114	2.0
183.11560	2.4
184.49496	1.5
185.13081	6.7
187.14711	3.0
195.11978	1.8
195.13773	19.6
199.14632	4.8
209.13129	3.0
211.14711	1.5
213.12643	2.5
213.14455	2.5
213.16235	4.3
223.14488	2.0
233.15155	1.7
241.08098	1.5
241.19324	2.2
251.19827	3.7
269.04065	2.2
269.11426	3.4
269.17233	66.2
269.22107	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	269.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
53.19822	1.3
55.01840	3.2
55.05508	19.1
57.03429	24.6
57.07029	5.3
59.04965	1.9
65.03896	2.1
67.05496	74.1
69.03384	1.8
69.07059	28.7
71.04935	6.8
71.05269	1.5
71.08578	3.1
71.79665	3.0
79.05482	44.3
81.03378	2.6
81.07045	100.0
83.04977	8.2
83.08603	19.3
85.06471	5.5
91.05476	26.7
93.07034	67.7
95.04958	9.4
95.08598	30.3
97.06521	14.3
97.10107	2.7
99.08025	5.3
105.07021	16.4
107.08583	35.6
109.06493	7.3
109.10139	11.1
111.08088	10.9
113.09569	2.5
117.07021	12.9
119.08586	9.3
121.06416	1.7
121.10136	22.6
123.11617	2.9
129.06879	1.8
131.08559	16.1
133.10101	16.8
135.11652	15.9
143.08426	5.9
145.10126	8.5
147.11577	6.5
149.13246	45.3
151.11110	2.6
153.09088	1.8
156.09259	1.8
157.10098	9.6
159.11685	28.7
161.13159	4.4
169.09982	2.0
171.11702	7.3
173.13246	7.2
175.11081	1.8
177.12744	15.4
179.14114	2.0
183.11560	2.4
184.49496	1.5
185.13081	6.7
187.14711	3.0
195.11978	1.8
195.13773	19.6
199.14632	4.8
209.13129	3.0
211.14711	1.5
213.12643	2.5
213.14455	2.5
213.16235	4.3
223.14488	2.0
233.15155	1.7
241.08098	1.5
241.19324	2.2
251.19827	3.7
269.04065	2.2
269.11426	3.4
269.17233	66.2
269.22107	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	269.1742
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03919	3.2
55.01852	3.2
55.05506	17.8
57.03158	2.1
57.03424	34.8
57.07043	4.4
64.61828	1.2
65.03916	1.9
66.95444	1.1
67.05493	75.1
69.07056	31.2
69.46728	13.2
71.04942	5.5
71.08598	1.5
79.05478	41.1
81.03378	3.5
81.07042	100.0
83.04967	10.9
83.08607	19.0
84.21762	1.2
85.06507	4.7
91.04913	1.5
91.05459	20.4
91.50937	1.4
93.07027	70.2
95.04935	8.3
95.07986	1.8
95.08588	26.0
97.06518	14.1
97.10146	2.8
99.04400	1.3
99.08060	6.6
105.07020	11.7
107.04916	1.6
107.08572	36.0
109.06478	4.9
109.10120	5.8
111.08054	10.6
117.06983	10.7
119.08523	5.7
121.06445	1.7
121.10108	25.5
123.08017	1.7
123.11639	3.4
124.89346	1.5
129.06978	2.7
131.08556	11.8
133.10075	10.8
135.07997	2.0
135.11653	11.2
139.11131	2.9
145.10066	3.0
147.11580	4.6
149.09570	2.5
149.13229	54.6
151.11137	2.8
157.10056	3.3
159.11668	26.2
161.13182	3.2
167.14236	2.2
171.11687	2.8
173.13211	2.4
175.14771	1.7
177.12726	11.8
179.14319	1.4
185.13240	2.4
187.14824	1.3
195.13757	14.9
199.14769	2.2
213.16348	3.1
251.61659	1.3
269.17365	72.2
269.22238	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	4.6
55.01857	3.2
55.05276	1.7
55.05502	21.6
55.34586	1.2
57.03429	31.0
57.07068	5.9
61.27352	1.2
65.03914	1.8
67.05493	75.9
68.05767	1.2
68.56017	1.2
69.03387	2.1
69.07058	32.0
71.04977	7.5
71.08608	1.9
71.52735	2.2
73.02912	1.2
79.05481	42.0
81.03416	2.4
81.07043	100.0
83.04964	12.3
83.08604	17.9
85.06502	5.6
91.05469	22.7
93.07027	68.8
94.07343	1.4
95.04947	6.7
95.08003	1.7
95.08588	30.6
95.33970	1.1
97.06514	18.0
97.10144	3.4
99.08062	5.2
105.07018	12.7
107.04878	1.5
107.08575	38.9
109.06481	4.4
109.10165	6.2
111.08057	11.6
111.11718	1.4
113.05954	1.3
113.09613	1.6
117.07007	9.2
119.08576	6.9
121.06437	1.9
121.10120	24.6
123.11643	3.9
129.06898	1.4
131.08566	12.7
133.10097	11.4
133.49664	1.2
135.07999	3.5
135.11682	13.7
139.07394	1.8
139.11185	2.4
143.08479	3.4
144.09319	1.2
145.10048	5.5
147.11600	5.2
149.13229	57.7
150.13551	2.2
151.11143	2.3
157.10040	3.0
159.11676	25.1
161.13206	2.5
165.12793	1.3
167.14215	1.9
171.11635	3.9
173.13159	2.9
177.12738	11.8
178.07684	1.4
181.10170	1.3
181.12141	2.4
185.13239	1.8
187.14635	1.6
195.13773	18.5
199.14780	3.3
209.09537	1.5
209.13188	2.2
213.16325	3.4
227.17726	1.5
237.08878	1.4
241.19084	1.3
251.19939	3.5
252.10876	1.2
262.71143	1.3
269.04269	1.4
269.17352	69.9
269.22159	15.6
270.17740	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1169
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
50.66347	0.2
51.02367	0.3
53.03923	0.8
55.01857	1.1
57.03416	1.0
67.05476	0.5
67.40969	0.2
67.44077	0.2
69.80463	0.6
69.80872	1.6
77.03890	0.3
79.05486	2.9
81.07053	1.4
83.04977	0.4
85.02889	0.3
91.05457	3.2
93.07027	0.6
93.64117	0.3
94.04177	0.3
95.01325	0.8
95.04947	2.0
103.05448	1.6
104.03928	0.3
105.03382	0.3
105.07030	1.2
107.04939	100.0
108.05274	1.3
109.06509	2.1
109.51127	0.3
115.05435	7.2
116.06283	0.3
117.07000	3.3
119.04931	1.3
119.08570	1.0
121.02808	0.3
121.06455	1.3
121.94285	0.3
122.03625	0.4
123.00766	0.8
123.04440	0.3
129.06989	0.3
131.04912	3.1
132.05701	0.3
133.06474	0.5
135.04424	1.2
135.08061	0.5
137.05956	9.9
141.01770	0.3
143.04897	10.0
144.05682	1.2
145.06468	11.6
146.06050	0.3
146.07281	0.3
147.04395	1.1
147.08035	1.1
149.05942	1.2
151.07501	0.3
152.05705	0.7
153.05676	0.3
155.06003	0.6
155.13057	0.3
160.05180	3.7
161.05978	0.7
162.06758	0.5
163.03922	1.1
163.07529	4.5
164.07083	0.5
165.05489	1.8
165.06987	1.0
166.07742	1.4
167.08525	0.5
173.05940	1.9
175.07523	14.9
176.08034	0.3
177.05476	2.1
179.08588	0.3
179.84279	0.3
181.06508	1.1
181.08635	0.3
181.10106	1.1
183.06512	0.4
189.06973	0.4
190.07759	1.2
191.07001	5.5
191.08574	3.5
194.07239	4.6
195.08023	0.5
197.05965	0.6
201.05420	1.7
205.06689	0.3
205.08650	0.8
207.08112	0.3
209.08025	1.3
209.09650	8.9
218.07288	0.4
219.06291	3.7
219.08414	1.3
220.08702	0.3
222.06793	0.6
223.07524	0.5
223.09647	0.8
233.08113	0.4
235.07565	0.3
237.09238	11.2
238.09787	0.6
239.06960	1.2
240.07843	0.6
241.08560	0.6
251.09103	7.8
254.09329	1.5
255.08662	1.0
269.11713	56.2
270.11835	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	269.1017
Annotation	Cardiobutanolide
Peak:m/z	Relative Intensity
53.03928	0.5
55.01855	1.4
55.05480	0.4
57.03421	1.0
57.62823	0.2
60.71352	0.3
65.03922	0.3
67.05486	0.9
69.03406	0.6
69.07040	0.5
70.07471	0.5
70.07894	1.2
73.02921	0.3
79.05482	3.1
81.03401	0.6
81.07052	1.7
83.04946	0.6
85.06525	0.2
87.04469	0.3
91.05469	4.8
93.03384	0.6
93.07033	1.3
95.01312	0.7
95.04957	2.9
95.08598	0.4
95.70151	0.3
97.02877	0.4
97.06519	0.6
98.20695	0.3
99.04418	0.3
103.05437	1.4
105.03396	0.4
105.07016	1.7
107.04936	100.0
108.04552	0.3
108.05270	1.0
109.02882	0.6
109.06493	3.0
111.08071	0.3
114.10408	0.2
115.05437	8.0
117.07002	4.1
119.04927	1.1
119.08569	1.0
120.06413	0.3
121.06470	1.5
122.03602	0.4
123.00765	0.9
123.04444	0.4
129.06972	0.6
131.04915	3.5
132.05679	0.5
133.06491	1.1
135.04416	1.8
135.08023	0.9
137.05956	9.9
143.04897	10.1
144.05661	1.2
145.02818	0.5
145.06464	11.2
146.09006	0.3
147.04401	0.9
147.08029	1.6
149.05965	1.1
151.07533	0.6
152.05652	0.9
153.05988	0.6
153.07109	0.4
155.06015	0.5
159.04414	0.5
160.05162	3.7
161.05939	1.0
162.06741	0.7
162.46141	0.3
163.03883	2.1
163.07515	5.2
165.05449	2.3
165.06973	1.0
166.06404	0.3
166.07751	1.1
167.07063	0.4
167.08583	0.4
173.05984	2.4
175.07520	13.1
176.08170	0.5
177.05447	1.9
179.08580	0.3
181.06474	1.5
181.08661	0.4
181.10005	1.5
183.06470	0.8
189.07104	0.4
190.07732	1.2
191.07005	6.8
191.08562	3.3
194.07243	4.4
195.08104	0.5
197.05977	0.8
201.05412	2.2
205.06540	0.3
205.08574	1.0
207.08116	0.6
209.07985	1.7
209.09607	8.7
211.07495	0.4
218.07288	0.4
219.06361	5.5
219.08115	1.1
222.06758	0.6
223.07570	0.7
223.09636	1.0
233.08008	0.5
237.09282	10.5
238.09734	0.5
239.07014	1.1
240.07759	0.7
241.08582	0.3
251.09103	9.8
254.09366	1.5
255.08664	1.1
269.11707	55.8
270.11786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54952	0.4
69.03352	0.6
69.80360	2.8
70.06248	0.5
70.06580	4.2
71.46417	0.4
81.03397	0.5
84.08131	21.4
88.07613	0.8
96.08116	1.2
97.07644	3.9
98.06044	15.9
98.08407	0.6
110.45238	0.5
111.09190	1.3
112.07571	0.8
112.08689	1.7
124.03957	3.3
136.06110	0.9
136.11180	3.6
139.08649	15.5
147.04311	0.5
163.12204	0.5
168.08914	0.5
177.07806	2.9
180.14949	6.3
181.13342	31.0
182.13664	0.9
185.10301	0.7
189.09256	0.6
191.11800	1.0
206.11714	13.2
208.14436	36.7
209.12830	59.4
210.13133	1.6
223.15408	0.6
226.15413	1.2
234.12369	4.1
250.14374	2.8
251.15030	4.9
268.17673	100.0
269.17978	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	269.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50901	1.5
52.51814	1.5
53.03937	3.6
53.68194	1.5
54.67958	1.4
55.01870	13.4
55.05497	4.9
57.03432	9.8
65.03931	2.7
67.05499	10.6
68.99787	2.5
69.03425	3.1
69.07043	4.9
71.01357	2.6
71.04350	3.5
71.04964	2.4
71.74770	1.7
73.02903	3.4
79.05479	23.3
81.03396	4.6
81.07049	27.9
83.01331	5.3
83.04973	15.5
85.02899	3.8
91.05470	45.1
93.03373	4.8
93.07036	16.0
94.04227	1.9
95.01280	3.4
95.04967	13.3
95.08593	4.2
96.00844	1.7
97.06505	3.8
101.02360	2.6
102.87937	1.9
103.05450	9.1
105.07023	14.5
106.50743	1.6
107.04947	18.2
107.08561	8.5
109.02863	4.2
109.06507	28.2
109.10161	4.4
111.04463	1.8
111.08075	2.3
113.06051	1.6
113.94637	1.7
115.05450	11.0
117.07014	22.0
118.06551	1.6
119.04935	11.9
119.08575	7.2
121.02844	2.4
121.06492	19.5
121.10123	2.4
123.00792	4.1
123.04473	2.7
123.08047	3.3
125.02383	3.1
125.05984	3.9
129.06981	3.0
131.04897	7.5
131.08614	1.8
133.06480	5.9
133.10077	2.4
135.04398	13.2
135.08035	12.1
137.02368	2.2
137.05957	22.5
137.09573	1.9
139.07510	1.7
145.06488	20.9
147.04422	4.4
147.08006	5.6
148.05202	1.8
149.05972	15.6
151.03844	2.1
151.07510	5.3
153.05423	5.3
155.03381	2.2
162.06752	2.1
163.03889	5.1
163.07536	38.7
165.05449	15.3
167.07039	2.7
173.05954	15.7
175.07521	3.3
177.04082	2.9
177.05469	17.8
179.06995	4.3
181.08473	3.4
183.06558	2.3
189.05460	3.3
191.06985	80.2
192.07172	3.6
192.08862	43.8
195.06554	5.1
201.05449	11.0
205.08594	1.9
207.06479	2.6
209.08003	25.8
219.06467	58.5
220.06398	2.6
220.08395	36.7
221.09209	3.7
223.09680	4.1
232.94189	1.8
233.08057	3.7
233.15009	1.5
234.10594	1.6
237.07423	32.8
251.09117	100.0
251.19987	1.8
252.11015	53.8
255.08620	94.7
269.10153	17.5
269.13586	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.83070	0.1
51.98670	0.2
55.01861	0.4
57.03437	0.4
69.03424	0.2
71.01336	0.2
71.51942	0.3
76.74373	0.2
85.02882	0.3
94.04047	0.4
99.79506	0.1
109.12404	0.2
119.03492	0.4
124.03991	0.2
136.06163	100.0
137.04561	0.2
137.06581	0.9
139.25864	0.2
204.15579	0.1
268.10358	7.2
268.17673	0.2
269.10690	0.3
276.53870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1327
Annotation	Asimilobine
Peak:m/z	Relative Intensity
51.42260	0.6
57.25057	0.6
60.69582	0.6
64.12997	0.6
70.12608	3.4
135.49561	0.6
165.07004	2.2
178.56665	0.8
179.08519	1.7
180.09262	1.8
189.06912	3.1
190.07719	11.0
191.08531	100.0
192.08904	2.5
205.10101	2.9
207.08008	1.4
208.08835	7.3
218.07164	1.4
219.08014	77.6
220.08749	11.1
222.06689	0.7
236.08290	15.1
236.76268	0.8
248.73438	0.8
251.10641	99.1
252.10931	3.2
268.13287	18.5
274.69534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1585
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03943	3.9
55.01861	2.4
55.05498	8.1
57.03428	20.1
57.07092	0.8
59.30270	0.9
65.03949	0.9
67.05489	12.1
69.03427	1.6
69.07063	4.4
71.04969	1.9
71.79773	1.2
79.05481	12.9
81.03404	100.0
81.07040	13.7
81.07476	1.2
83.04969	6.1
83.08604	15.4
85.02936	0.7
85.06503	0.9
91.05460	17.6
93.07026	8.6
95.04951	21.3
95.08591	7.3
97.02869	2.9
97.06509	2.1
97.10164	2.4
97.43480	0.7
99.04441	0.7
99.08087	1.0
105.03336	1.2
105.07010	13.4
107.04933	5.6
107.08595	4.4
109.02853	0.9
109.06491	2.8
109.10130	3.5
111.04441	1.7
111.08063	7.5
115.05446	1.0
117.07009	1.6
119.04898	0.9
119.08563	13.4
121.06490	2.4
121.10121	5.8
123.08078	2.7
123.11655	2.1
125.09606	1.0
129.06969	7.5
131.08542	8.5
133.05273	0.7
133.06450	3.0
133.10089	5.4
135.11671	1.4
137.09599	2.1
142.07738	3.0
143.08592	1.3
145.10077	2.4
147.08017	2.8
147.11665	8.3
149.09631	3.6
151.07462	0.8
155.08482	1.2
157.10104	10.6
163.11131	2.0
165.12674	1.7
169.10132	1.5
171.11557	0.9
175.11176	10.4
192.15105	0.7
193.12215	23.2
197.13269	0.8
207.13589	1.0
211.13171	4.0
227.77553	0.7
231.13737	1.2
249.14856	2.8
267.15848	76.5
267.20874	3.1
268.16028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.35478	0.8
53.03931	3.8
55.01859	1.3
55.05504	5.0
57.01544	0.9
57.03428	21.2
57.07073	1.0
59.46173	0.8
65.60180	0.9
67.05494	10.2
69.03414	2.6
69.07051	3.6
71.04981	2.1
74.37672	0.8
79.05485	11.6
81.03407	100.0
81.07043	13.1
83.04974	5.2
83.08151	1.5
83.08603	14.4
85.06490	1.2
91.05474	17.0
93.07042	7.4
95.04381	1.5
95.04950	19.9
95.08598	6.0
97.02885	3.1
97.06477	1.3
97.10143	2.8
98.98443	2.4
99.08044	1.0
105.07011	13.6
107.04932	4.8
107.08570	3.0
109.06496	3.1
109.10113	1.9
111.04382	0.9
111.08043	7.3
115.05440	1.6
119.08575	12.0
121.06504	1.1
121.10139	4.9
123.08049	1.6
123.11693	1.4
129.06984	7.9
131.08546	8.7
133.06473	2.9
133.10097	3.9
135.89122	0.9
136.06158	1.8
137.09596	1.2
140.27351	0.9
142.07765	2.0
143.32764	1.0
145.10130	1.4
147.08025	2.4
147.11673	8.0
149.09560	4.7
157.10121	10.2
165.12747	1.8
175.11172	9.8
193.12216	22.1
211.13235	4.6
224.01012	1.0
229.71713	1.3
249.14819	1.7
267.15881	78.9
268.16251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03917	3.0
55.01838	2.7
55.05501	6.5
57.03426	22.0
67.05494	10.8
69.03421	1.8
69.07040	2.8
69.45936	2.2
69.46352	8.4
71.04967	1.5
79.05473	11.0
81.03404	100.0
81.07038	11.8
82.03709	1.0
82.58095	0.8
83.04955	4.8
83.08609	14.3
83.24184	0.8
91.04919	1.2
91.05461	16.0
91.85542	1.0
93.07031	7.5
95.04386	1.6
95.04954	23.4
95.08601	4.9
97.02863	1.9
97.06519	1.9
97.10148	1.3
98.20557	1.4
98.98438	2.9
105.07014	11.1
107.04949	4.6
107.08570	3.3
109.06474	2.8
109.10133	1.2
111.08093	6.2
111.52633	1.0
115.05354	1.3
117.07017	1.6
119.08576	12.2
121.06459	2.6
121.10104	4.1
123.08038	1.6
128.06119	0.8
129.06985	7.8
131.08559	7.9
133.06462	2.7
133.10085	3.3
134.00729	0.8
137.09583	1.1
142.07736	2.1
145.10088	1.8
147.08034	2.7
147.11624	4.9
149.09572	4.3
155.08449	1.1
157.10115	8.1
163.06908	0.8
163.11243	0.9
165.12740	2.3
175.11159	10.1
193.12216	22.4
211.13239	2.1
214.48096	0.9
249.14844	2.1
267.15869	70.1
268.16364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03937	2.8
55.01857	1.9
55.05506	6.6
56.60741	0.7
57.03428	17.9
57.07038	0.8
64.64533	0.7
65.03918	1.0
67.05494	11.2
69.03418	3.0
69.07063	3.7
71.04989	1.9
77.00065	0.7
78.90231	0.7
79.05484	10.9
81.03407	100.0
81.07050	13.4
81.59445	0.7
83.04978	5.5
83.08601	12.1
83.09429	0.8
91.05467	15.1
93.07029	7.8
95.04955	19.4
95.08581	4.2
97.02881	1.5
97.06512	1.9
97.10159	2.1
97.27006	0.7
98.98470	1.9
99.59735	0.9
105.07021	12.1
107.04935	4.3
107.08586	3.4
109.06490	2.8
109.10118	1.2
111.04427	1.5
111.08069	6.4
115.05455	0.8
117.07008	1.0
119.08563	12.9
121.06486	2.1
121.10134	4.8
123.08071	1.3
123.11694	1.5
128.06216	1.0
129.06993	7.9
131.08543	7.0
133.06456	2.9
133.10123	2.8
137.05936	0.9
142.07758	1.8
145.10095	1.1
147.08044	2.2
147.11678	5.9
149.09607	3.3
151.11066	0.7
157.10130	7.5
163.11067	1.0
164.41272	0.8
165.12755	2.9
175.11172	9.5
189.16548	0.8
193.12224	20.1
211.13263	3.1
229.55971	1.1
249.14780	1.1
255.52962	0.8
267.15878	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03932	3.1
55.01844	1.9
55.05288	0.7
55.05496	6.6
57.03160	1.0
57.03429	18.8
57.07060	0.8
67.05495	13.0
69.03411	1.9
69.07059	3.6
71.04974	1.9
71.10563	0.7
71.10915	2.3
77.85420	0.7
79.05479	9.3
81.03406	100.0
81.07040	12.1
83.04974	5.2
83.08163	1.1
83.08609	13.4
88.15269	0.8
91.05470	15.8
93.07024	8.0
95.04953	19.6
95.08614	4.8
97.02859	2.2
97.06509	1.2
97.10161	1.6
98.98441	7.0
99.55688	1.0
105.06415	1.1
105.07023	14.2
105.28293	0.7
107.04913	4.0
107.08566	2.8
109.06480	3.6
109.10133	1.5
111.04385	1.0
111.08060	6.7
117.07011	1.8
119.08562	10.5
121.06475	1.7
121.10130	4.6
123.08063	1.7
129.06990	7.8
131.08560	6.7
133.06485	2.4
133.10101	3.4
136.06252	0.8
142.07716	2.1
147.08003	1.7
147.11661	5.4
149.09589	2.9
157.10101	7.3
165.12683	1.8
175.11154	7.9
193.12206	20.5
211.13268	2.6
242.09283	0.8
249.14900	1.6
267.15875	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01857	6.6
55.05494	7.7
56.05026	2.1
56.96344	2.2
56.96563	26.1
57.03418	7.7
57.07063	6.3
60.04530	2.2
61.02912	9.9
66.45581	2.2
67.05489	11.2
69.03423	11.9
69.07063	100.0
70.06585	12.2
70.07406	2.9
71.05009	2.8
71.08608	4.5
71.79278	2.5
72.08124	7.6
73.02914	5.5
74.06062	4.0
77.65767	2.0
78.03425	2.3
79.05479	9.3
80.05050	2.4
81.03408	5.1
81.04517	4.5
81.07030	12.6
83.04969	5.0
83.08624	4.3
84.04482	5.4
84.08144	20.2
84.96027	3.1
85.02904	26.0
85.06504	3.4
86.09678	5.9
87.00791	4.5
87.08097	49.9
91.05467	5.9
93.07020	4.3
94.06567	4.7
95.04955	6.5
95.08592	10.0
96.04487	3.7
97.02861	12.0
97.06506	4.6
98.97576	21.5
98.98453	4.2
99.04460	4.0
103.05437	3.7
105.01872	3.1
105.03353	5.5
105.07027	5.0
105.09138	26.0
106.02865	5.5
107.04959	4.5
107.08611	2.7
108.04491	2.7
109.02870	8.6
109.06466	3.8
109.10120	4.6
110.07122	2.5
110.97635	2.4
116.98593	18.2
117.70528	2.2
119.01888	3.1
119.08574	3.9
120.04462	14.6
120.08089	33.8
121.06518	3.6
122.06032	3.3
122.07150	8.5
123.04382	3.1
123.08045	3.1
124.03943	60.0
127.03904	9.0
128.02206	2.8
128.98567	6.0
129.10210	3.2
133.06470	4.2
134.05962	3.1
134.99666	8.6
135.04419	3.3
136.06172	75.4
136.07272	3.7
137.05966	6.4
137.09637	2.9
137.65318	2.3
138.05563	3.8
139.03889	4.5
141.01169	2.6
145.04999	4.1
146.04338	3.4
146.99641	8.9
147.08038	2.3
147.11716	2.1
150.05473	41.5
152.07043	5.9
152.08607	2.1
155.07001	3.8
158.99579	11.3
161.05974	6.2
162.05426	6.6
163.03947	3.0
165.00723	3.2
165.06894	2.5
165.09119	7.6
166.08507	2.4
168.06473	2.3
169.06502	2.8
177.00706	12.6
177.05525	3.3
177.07722	3.1
181.13335	6.2
186.99071	2.7
188.97069	3.7
189.00676	4.0
189.05421	2.8
191.07039	3.1
193.04320	2.3
201.00594	3.9
206.11682	14.4
207.06464	5.4
208.14491	5.7
209.12813	11.4
219.01727	6.0
222.07559	3.2
222.11230	2.7
223.01225	2.9
231.07527	4.8
232.08908	2.6
237.02744	4.9
249.08989	13.3
267.05658	2.3
267.08319	2.9
267.13455	15.3
267.16406	3.9
268.08069	15.6
268.10339	3.6
268.15341	5.9
268.17719	16.6
273.11197	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	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
57.03396	1.2
67.05482	2.5
67.07764	0.8
69.07062	0.8
69.39400	0.7
69.89158	0.8
70.82657	2.7
73.40389	0.9
79.05491	1.7
81.03393	1.8
81.07070	2.2
84.97873	0.9
85.28747	0.9
91.05462	7.2
93.07027	1.2
95.04950	1.2
97.06506	1.7
99.04506	0.9
103.05474	1.2
105.03371	1.3
105.07026	3.6
107.04964	1.9
110.09670	1.7
111.10035	0.9
115.05439	4.0
116.06236	1.5
117.07019	1.5
121.06517	1.0
124.03947	1.6
128.06195	5.1
129.07004	12.6
131.04930	1.3
131.08562	14.3
133.06485	1.4
133.10135	1.9
134.05998	1.0
138.71751	0.8
141.06972	6.5
142.07777	1.5
143.08568	2.6
144.05698	8.2
145.06485	3.9
146.07214	2.0
147.04390	1.4
147.11713	0.9
149.17618	0.9
153.06958	1.6
156.05669	1.4
157.06447	5.1
158.07237	1.5
159.08035	21.6
161.06000	2.5
161.09601	5.1
169.06413	1.5
169.07668	1.7
170.07254	4.9
171.04584	0.9
171.08017	3.8
172.05219	2.5
173.05974	2.9
174.06790	0.9
175.07565	2.4
178.06201	1.0
179.08574	1.7
187.07544	17.0
189.05426	1.7
189.07339	1.4
189.09035	6.2
191.07080	1.2
193.12314	1.1
196.65729	1.1
199.07562	2.3
203.07004	2.5
204.07755	9.5
205.08559	2.1
207.08075	2.1
216.07814	3.7
218.06689	1.4
219.10130	6.7
221.11852	2.3
231.10208	4.9
234.08824	1.4
235.07478	2.0
237.11136	2.1
249.11203	100.0
250.11577	2.8
267.09979	4.1
267.16019	2.1
267.21558	1.1
268.10895	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	266.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
57.03427	0.4
59.04980	0.7
61.02922	1.3
62.75587	0.2
71.04974	1.8
71.18459	0.4
79.05486	0.5
81.03414	0.2
81.07043	3.2
85.83620	0.2
87.00813	0.2
91.19920	0.2
94.04015	1.0
99.08088	0.3
119.03539	1.9
136.06165	100.0
137.04594	1.5
137.06557	0.4
150.07770	0.5
163.26056	0.2
168.06445	0.5
234.13467	19.1
249.08965	0.3
266.16092	58.8
267.10342	0.2
267.16272	0.6
278.17609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.3
55.60157	1.3
57.03144	1.4
57.03419	4.5
66.81895	1.3
70.06569	2.4
70.72025	2.1
71.04977	2.8
71.08617	3.3
72.08127	1.5
79.05457	4.6
79.54623	1.4
81.03410	3.6
81.07048	19.8
83.04958	3.6
83.08594	5.9
85.06527	4.0
87.00816	86.9
89.35382	1.3
93.06076	1.4
94.06537	2.0
99.08082	10.8
101.05996	1.6
105.01855	72.8
105.03361	2.9
109.02843	1.4
109.06499	16.1
116.07056	1.4
117.09135	3.1
120.08109	2.7
121.08446	1.8
122.06021	2.5
123.06795	3.7
127.07533	30.2
133.06450	1.7
134.05991	1.6
136.06142	2.9
138.05475	6.9
145.08568	12.2
150.05460	7.7
150.07738	2.2
151.06276	5.0
161.05908	2.0
162.07753	2.1
168.06543	24.6
178.06224	3.6
193.08562	1.9
203.09091	5.1
207.08047	6.0
219.66368	1.2
231.08601	100.0
232.08998	3.9
235.07561	4.1
248.12784	3.5
256.48511	1.3
266.09659	1.6
266.13882	16.0
266.16208	2.1
266.20987	1.5
267.10303	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	266.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.8
56.86546	1.3
57.03422	2.0
67.05489	2.7
69.03412	2.9
69.56510	1.3
70.06569	1.9
71.08599	2.9
71.79054	1.6
72.08154	2.7
79.05478	2.7
81.03399	2.0
81.07047	15.0
81.92384	1.4
83.04976	4.4
83.08606	3.4
84.04494	2.0
84.08134	3.5
84.52256	1.4
87.00813	63.5
91.05473	1.5
94.06551	5.8
97.02884	2.2
99.08063	7.5
101.05985	2.1
105.01850	46.8
109.02878	2.5
109.05292	1.6
109.06503	12.6
110.06021	3.7
117.09109	2.1
119.03512	3.5
120.08004	2.4
122.06010	7.4
122.38142	1.5
123.06792	15.9
127.03931	1.9
127.07542	20.1
134.05966	2.1
136.06161	49.1
138.05476	39.7
140.07060	2.5
145.08589	8.2
147.77272	1.5
150.05478	30.9
150.07693	6.6
151.06274	20.8
152.06995	8.6
162.07724	60.5
164.07079	2.7
168.06541	100.0
169.07140	4.1
174.12746	2.5
178.08591	4.2
203.09201	2.9
206.08145	6.6
207.07997	9.4
220.13306	12.2
230.11757	6.4
231.06264	3.7
231.08592	67.1
232.09003	1.6
235.07469	4.4
248.11188	7.9
248.12854	16.9
252.07631	2.7
266.14099	62.9
267.10217	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	266.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68742	0.1
55.45878	0.1
56.96556	0.1
62.48607	0.1
69.07030	0.1
71.08588	0.1
71.78356	0.1
78.01008	0.1
79.76597	0.1
82.99862	0.2
83.42992	0.1
83.65186	0.1
89.91360	0.1
96.08154	0.1
98.97588	0.1
101.00862	1.4
104.21557	0.1
107.24168	0.1
116.98614	0.2
119.01905	9.6
120.02029	0.1
122.97797	0.1
128.53798	0.1
134.99883	0.6
137.02928	3.5
138.03139	0.1
140.98784	0.3
142.03487	0.3
145.01659	0.1
153.00941	0.5
158.99847	0.8
162.91118	0.1
163.02698	0.2
164.00458	0.1
164.03032	0.1
165.99631	0.2
173.02928	0.1
175.02982	0.3
176.02739	0.1
177.00923	20.4
178.01024	0.7
179.01398	0.1
182.99844	0.5
183.01320	0.1
186.60193	0.1
187.19746	0.1
193.04019	0.4
195.02010	0.5
195.94508	0.1
199.02943	0.1
200.02481	0.4
201.00839	1.6
201.02473	0.7
201.93381	0.1
205.00290	0.1
209.98680	0.1
217.04065	2.9
218.03880	0.1
219.01964	24.9
219.94498	0.5
220.02104	1.4
220.94115	0.1
221.02217	0.2
224.00087	0.1
224.04079	0.1
225.00774	2.3
227.99593	0.1
237.03053	0.1
237.95386	0.4
238.95233	0.1
242.03636	0.7
242.96376	0.6
243.01910	7.8
244.02184	0.2
260.04572	0.2
261.03015	100.0
262.03162	3.5
262.12280	0.1
263.03400	0.3
266.00632	0.2
266.03506	0.8
266.05914	0.1
275.04578	0.3
284.04617	4.9
285.04840	0.3
288.07666	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	265.1544
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03939	0.6
53.28363	0.2
55.01852	0.4
55.05502	10.6
56.05025	0.7
57.05798	0.9
64.75674	0.3
67.05487	0.4
69.03389	0.3
70.06577	0.6
72.08141	100.0
81.03407	0.4
81.04539	0.5
81.07055	0.8
83.04998	0.3
84.04488	1.7
84.08121	0.7
85.02912	0.5
86.09752	0.3
87.00819	1.1
89.12682	0.3
91.05476	0.7
95.08566	0.3
103.05442	0.5
104.00393	0.3
105.01860	1.0
105.07027	0.3
106.04890	0.3
107.04952	0.3
109.06512	0.3
109.10172	0.3
117.07002	0.6
117.76910	0.2
120.08086	13.6
121.02883	0.5
122.07150	2.1
123.07898	1.3
127.03948	0.3
127.07555	0.7
130.04993	0.8
131.08551	0.6
136.06169	4.0
143.08533	0.3
144.04767	0.7
145.02870	0.6
149.05989	0.4
150.07701	0.4
154.32240	0.3
166.08612	11.5
173.06004	0.4
175.07498	0.4
177.05411	1.3
179.17810	0.3
194.10013	0.4
205.06573	0.3
205.08585	0.6
219.14996	0.6
225.58897	0.3
231.08636	1.1
232.03337	0.3
247.14507	0.3
265.11182	1.3
265.15466	5.4
266.16144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
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
55.01860	1.4
55.05513	2.9
57.03419	0.9
59.04985	0.8
65.03916	0.9
66.06821	0.5
67.05491	3.3
67.07185	0.6
69.03413	4.7
69.07060	1.5
70.06575	2.8
70.69312	1.9
71.04968	1.8
72.08148	9.5
73.63848	0.6
79.05490	3.4
81.03381	1.7
81.04521	0.9
81.07030	2.5
83.04965	1.7
84.04499	3.2
84.08130	2.4
85.02888	6.7
85.06538	1.1
86.00726	0.6
86.03225	0.9
86.09694	2.9
87.00819	1.5
87.11024	0.6
91.05466	7.5
93.03435	0.7
93.07024	7.4
95.04955	5.1
95.08582	2.8
97.02907	1.1
97.06509	1.1
99.04448	1.0
103.05460	4.3
105.01851	1.5
105.07013	7.5
107.04955	1.0
107.08556	3.0
109.02843	1.3
109.06503	4.2
109.10135	1.3
111.04424	4.3
111.08044	1.6
113.05965	1.8
115.05441	0.9
116.06237	0.7
116.07035	0.7
117.03361	0.8
117.07010	2.6
118.08615	1.8
119.04974	0.8
119.08559	9.5
120.08085	100.0
121.02853	3.0
121.06504	5.7
121.08395	1.3
121.10128	1.8
122.07123	5.2
123.08028	3.2
125.05972	1.1
127.58800	1.1
128.06262	1.1
129.06981	2.3
130.04950	1.8
130.07755	0.8
131.04942	1.0
131.08545	5.5
133.06441	1.3
133.10103	1.9
134.09663	1.9
135.04378	1.9
135.08047	10.8
135.09926	3.1
136.07535	0.7
137.05945	1.0
137.09607	2.0
139.03827	1.7
139.07521	1.5
142.07773	0.8
143.08525	1.9
144.04721	1.6
144.05742	1.1
145.02838	1.1
145.06488	4.3
145.10114	4.2
147.04433	0.7
147.08028	6.5
147.11607	1.8
149.09660	1.6
150.07736	3.2
151.07477	1.0
152.05641	3.1
153.01814	0.6
154.07719	1.0
155.08484	1.4
156.09277	1.0
157.06371	0.6
157.10123	2.3
158.07253	2.3
158.10899	0.7
159.01102	1.4
159.08017	5.4
159.11650	5.2
161.05968	0.9
161.09563	4.5
161.10645	0.7
163.03893	3.3
163.07607	1.2
165.07039	0.7
165.09113	4.2
167.07047	1.1
168.09331	1.0
171.07953	0.9
172.08813	2.5
173.05974	2.1
173.09602	2.8
173.13203	3.4
175.03813	0.7
175.07530	7.4
175.11090	3.9
177.02052	0.8
177.05414	1.5
181.04929	1.0
181.06514	0.7
183.11650	1.2
185.09662	1.0
187.07573	1.5
187.11122	3.8
189.09088	1.5
189.12698	1.5
191.07018	0.8
193.08588	2.9
193.10155	1.0
194.07285	1.1
196.08853	0.7
199.11156	1.8
201.12720	4.2
203.10568	5.4
205.04852	1.0
205.08566	1.8
205.12260	1.2
207.06500	1.2
211.11174	2.7
217.08643	1.2
217.12192	3.2
219.10149	0.8
219.14894	2.1
229.12094	3.8
231.08682	2.1
235.13362	1.0
247.09586	1.2
247.13394	7.7
247.16708	0.7
265.06540	0.9
265.08585	1.6
265.15076	10.4
265.25189	0.8
266.12289	1.4
266.16086	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.143
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
53.03925	6.3
54.78577	3.7
55.01851	3.5
55.05493	7.7
57.07056	8.3
59.04988	4.9
65.57105	2.8
67.05489	13.5
69.03420	16.6
69.07050	7.1
70.99548	6.4
71.05050	2.6
79.05480	15.1
80.53836	2.8
81.03415	6.1
81.04530	3.6
81.07048	22.7
83.04976	42.9
83.08599	3.7
85.06538	4.1
91.05456	17.2
93.07022	25.7
95.04932	14.6
95.08589	14.0
97.02899	5.9
97.06478	4.9
99.65266	3.0
105.07029	18.5
107.04919	5.7
107.08585	44.1
109.02870	14.6
109.06501	16.2
109.10134	8.6
111.04429	25.1
111.08063	5.8
113.05997	5.5
114.64600	3.5
115.05433	8.7
117.06950	19.1
119.08567	31.9
121.02840	4.5
121.06486	38.1
121.10129	11.7
122.07121	18.6
123.04446	4.3
123.08031	15.6
125.09627	8.4
128.06233	3.3
131.08578	16.3
133.10114	12.4
133.12822	3.4
135.08032	69.8
135.11673	4.4
137.05995	4.3
137.09599	7.2
139.07477	3.2
141.06961	3.3
143.08554	10.9
144.09300	8.7
145.06459	22.9
145.10101	16.5
147.08054	7.1
149.05966	8.7
149.09572	23.3
151.07552	6.3
153.09077	6.2
155.08459	5.7
157.10068	5.7
158.10860	9.0
159.08095	7.4
159.11691	28.5
161.09608	8.5
163.07530	45.1
163.11189	16.1
165.09129	7.9
170.10855	5.5
172.08817	9.3
173.05977	23.2
173.09584	11.9
173.13242	34.2
177.12718	5.1
183.11699	6.8
186.10329	17.5
187.07616	4.5
187.11154	73.9
189.09138	4.3
190.06306	7.1
191.06978	26.5
196.08876	4.2
201.12704	55.8
205.08592	12.8
205.12222	23.1
209.08026	6.0
211.11101	9.3
217.08577	8.8
219.13803	25.7
229.12202	72.2
247.13268	100.0
248.13556	4.9
265.08734	10.5
265.14218	16.5
265.24939	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	265.1429
Annotation	Parthemollin
Peak:m/z	Relative Intensity
55.05500	0.5
56.07492	0.4
57.07083	0.5
58.02061	0.3
67.05488	0.9
69.03397	0.5
69.07057	0.5
70.13205	0.7
70.13614	1.3
71.04987	2.0
76.01659	0.4
79.05455	0.4
81.07031	1.3
91.05460	1.0
93.07009	1.2
94.45415	0.3
95.04964	0.6
95.08581	1.3
95.88033	0.3
105.07014	1.3
107.08579	1.4
109.06502	0.8
109.10117	0.8
111.08028	0.5
115.05447	0.4
117.07021	0.6
119.08548	0.9
121.06500	1.1
122.07144	2.9
123.11665	0.4
131.08546	1.2
133.10086	0.7
135.08046	8.4
137.05936	0.4
140.03445	0.3
141.06955	0.5
144.04732	0.4
144.05724	0.4
145.06462	0.6
145.10101	1.2
147.07967	0.5
147.11641	0.4
149.09572	0.7
152.41898	0.3
158.10829	0.4
159.08047	3.8
159.11702	1.3
161.09601	1.2
162.06683	0.5
163.11084	0.4
172.08794	1.3
173.05997	0.4
173.09665	1.0
173.13248	1.8
177.09087	100.0
178.09418	2.5
183.11755	0.5
186.10365	8.5
187.07539	0.5
187.11089	1.3
201.12721	9.7
205.08600	0.7
205.12271	0.8
205.15768	0.4
219.13841	0.6
229.12190	0.6
247.13269	6.5
247.16995	0.9
248.13676	0.3
265.08606	0.4
265.14355	1.4
265.17868	1.0
265.19812	0.3
281.55518	0.3
282.58713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01849	0.8
55.05492	1.5
57.03413	0.7
65.03915	0.6
67.05492	2.3
69.03426	3.0
69.07053	1.2
69.49155	0.4
70.06576	1.6
71.04969	1.0
71.30070	1.0
71.30383	0.4
72.08141	6.8
77.03890	0.6
79.05466	2.3
81.03391	1.4
81.07034	1.9
83.04955	1.1
84.04490	1.3
84.08118	1.1
85.02885	2.6
85.06523	0.6
86.03262	0.5
86.09681	1.8
87.00806	1.0
91.05453	4.5
93.07034	4.5
95.04948	2.8
95.08589	1.9
97.02876	0.9
99.02646	0.4
99.04416	0.6
103.05444	5.2
105.01849	0.8
105.07012	5.7
107.04923	0.6
107.08569	1.1
109.02830	0.7
109.06487	2.8
109.10114	0.6
109.54542	0.4
111.04417	2.6
111.08083	0.8
113.05972	1.1
115.05455	0.6
117.06985	1.6
118.08640	1.7
119.07668	0.7
119.08556	6.1
120.08082	100.0
121.02850	1.6
121.06481	3.8
121.08452	1.0
121.10112	1.4
122.07141	5.0
123.08077	2.2
127.07520	0.6
128.06158	0.5
129.06972	1.4
130.04979	1.2
131.08537	3.0
133.06496	1.0
133.10120	1.3
134.09653	0.8
135.08040	6.2
135.09944	0.9
137.09581	1.3
139.03831	0.7
139.07498	1.0
142.07782	1.2
143.08562	1.0
144.04765	1.2
144.09361	0.5
145.02812	0.7
145.06487	2.5
145.10062	2.4
147.08044	3.2
147.11665	1.3
149.05989	0.5
149.09607	0.9
149.10901	0.5
150.07735	1.3
151.07495	0.8
152.05669	1.6
155.08487	0.7
156.05669	0.4
156.09340	0.7
157.06465	0.6
157.10132	1.7
157.35361	0.5
158.07251	2.0
159.07997	3.0
159.11662	2.7
161.09534	2.2
161.13344	0.6
162.11519	0.5
163.03888	2.0
163.07463	0.6
165.09067	2.5
167.07057	0.6
171.08032	0.5
171.11674	0.9
172.08827	1.6
173.05966	1.2
173.09607	1.6
173.13289	1.5
175.07504	5.0
175.11107	2.2
177.05428	1.0
183.11671	0.7
185.09601	0.9
186.10353	0.6
187.07533	0.7
187.11140	3.0
189.09056	0.9
189.12758	1.3
191.06975	0.5
193.08525	1.5
199.11143	1.3
201.12711	3.1
203.10646	4.5
205.08525	1.9
205.12204	0.6
211.11127	1.9
217.08592	1.3
217.12096	2.1
219.06509	0.7
219.15103	2.7
229.12117	2.6
231.08490	1.1
235.13359	1.0
247.13112	5.3
265.08456	1.4
265.15646	10.0
265.18509	0.8
265.19583	0.6
266.12436	1.1
266.16101	1.1
269.48065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05506	3.0
56.05020	1.3
56.96556	100.0
57.03428	2.0
58.06588	0.8
59.04985	0.8
61.02919	1.5
67.05494	1.9
68.05008	1.4
69.03419	2.5
69.07059	9.9
69.61253	5.9
70.06606	3.6
71.01342	0.8
71.95245	1.6
72.08149	3.9
72.96031	3.4
73.02918	3.0
74.06082	0.8
74.97604	1.7
79.05464	0.9
81.03403	1.5
81.04541	0.9
81.07044	1.8
82.06569	1.0
83.06094	0.8
83.97603	1.8
84.03989	0.9
84.04495	14.5
84.08144	3.2
84.96010	0.9
85.02895	7.4
85.06527	1.4
86.09692	2.2
87.04409	0.8
88.15314	0.7
89.03901	0.8
91.05459	1.2
92.88364	0.6
92.98613	1.0
95.04935	0.9
95.06095	1.5
95.08576	1.2
96.04478	1.9
96.08942	1.0
97.02888	2.9
97.06534	1.2
98.97563	19.0
102.05526	2.4
102.96935	0.7
107.04983	0.8
109.02901	1.4
110.07156	1.7
110.09651	5.6
110.97540	1.1
111.04481	0.7
113.05962	0.9
114.05527	6.9
116.07082	0.7
116.98605	18.5
119.01839	1.0
120.01965	1.3
120.08092	1.1
122.06131	4.6
122.07093	6.4
127.03893	1.0
128.01353	0.6
128.02304	2.0
128.98596	2.1
130.05002	5.9
130.08652	1.4
131.00175	0.8
134.99638	13.5
135.04395	1.6
136.07541	0.7
137.02821	0.9
137.05995	0.9
138.09106	5.3
140.00116	0.8
140.02257	0.7
140.07062	1.5
142.04967	8.2
142.08609	0.8
142.12277	0.8
143.00189	0.8
143.01804	0.8
144.02060	1.0
144.96809	1.1
146.99640	2.1
147.04353	1.0
149.01187	1.3
149.02783	0.7
150.07729	10.1
153.00681	1.5
153.04886	3.3
155.04623	2.0
156.10210	8.0
158.01260	0.7
158.99657	4.8
160.07477	1.0
161.01215	1.2
161.02888	2.0
161.04604	1.2
162.03192	3.2
162.05414	14.5
162.55574	1.6
162.97826	1.2
163.03830	4.8
165.02251	0.8
166.08612	0.7
167.03783	1.4
170.08209	1.0
170.99583	1.0
171.03125	0.8
171.05913	3.6
173.54712	0.7
173.56218	2.9
174.03169	0.9
174.05437	1.6
176.03801	12.7
177.00696	9.3
177.02127	1.0
178.05382	14.1
179.02267	0.9
181.01624	1.4
183.03195	4.4
183.05817	1.1
183.55841	1.0
184.09668	5.6
185.04680	1.2
187.02803	0.9
188.09171	1.6
189.00726	1.2
191.03876	0.9
192.03374	1.4
193.04126	0.6
194.04861	7.9
195.03352	1.0
196.06430	11.7
197.01236	1.1
199.02745	0.9
201.00706	1.0
201.04282	7.7
202.10719	43.8
204.03156	5.5
208.02831	4.4
210.04309	2.3
213.06985	4.0
218.08058	0.7
219.01695	1.6
219.08119	0.8
222.04347	70.5
223.01239	1.4
226.03775	5.1
233.56895	0.8
234.07462	7.1
234.57602	1.7
237.02760	2.8
240.05399	64.0
245.05913	5.4
246.07745	0.8
246.13361	3.8
263.07016	3.5
264.05396	26.8
264.08420	1.3
264.12259	2.1
264.14563	11.1
279.07642	1.0
282.06540	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	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03919	1.5
55.05505	15.7
57.03409	1.7
57.07067	12.0
65.03926	2.6
67.05493	92.6
69.07058	17.2
69.89749	7.3
71.04969	2.5
71.08630	7.7
79.05066	1.8
79.05482	20.3
81.07043	100.0
83.04957	2.4
83.08610	14.7
85.06518	3.0
85.10158	2.9
91.05479	16.9
91.23864	1.1
93.07028	24.1
95.05003	1.4
95.08591	88.9
97.06515	8.2
97.10158	6.8
98.20731	1.5
99.08070	5.3
105.07013	9.5
107.08585	16.4
109.06487	2.5
109.10138	51.0
111.08080	5.5
111.11707	1.6
113.09603	3.4
119.08569	15.4
121.10131	18.8
123.08057	1.7
123.11689	22.5
127.11156	1.6
127.57728	1.1
133.10100	15.2
135.11679	10.3
137.09630	1.8
137.13235	7.6
141.12711	2.6
147.11685	9.8
149.13248	9.1
151.11156	2.0
151.14801	6.9
155.14240	1.5
161.13234	12.5
163.14793	8.7
165.12817	1.1
165.16380	9.8
167.14349	1.4
175.14781	7.1
177.16338	2.5
177.96712	1.3
179.17926	3.8
181.15926	1.2
189.16344	5.6
207.17480	1.6
217.19533	2.2
245.22607	37.5
263.23666	78.6
264.24078	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03937	1.5
55.05502	13.6
55.26278	0.6
57.03414	1.8
57.07065	10.6
60.84254	0.6
65.03934	2.0
67.05495	83.8
69.03429	0.9
69.06680	0.9
69.07056	17.4
71.04974	2.4
71.08614	6.8
71.79361	0.8
79.05481	21.0
81.07043	100.0
82.07388	0.7
83.04965	1.7
83.08600	13.0
85.06548	3.8
85.10162	3.7
91.05464	16.3
93.07028	23.3
95.04955	2.9
95.08592	84.0
97.06519	7.8
97.10159	6.8
99.08067	5.1
105.07020	12.1
107.08574	14.4
107.26894	0.6
109.06497	1.5
109.10141	47.0
111.08064	4.7
111.11681	1.3
113.09657	3.6
119.08572	12.9
121.10130	17.0
121.10966	1.3
123.08067	2.4
123.11691	23.3
125.09592	1.5
127.11154	1.4
131.08563	0.8
133.09137	1.4
133.10110	16.6
133.22990	0.6
135.11664	10.3
137.09608	1.9
137.13226	9.4
139.11182	0.8
141.12720	2.9
143.08607	0.9
145.10074	1.4
147.11662	10.4
149.13222	10.1
151.11093	0.7
151.14787	8.1
155.14258	1.6
157.10095	0.9
159.11691	1.3
161.13232	9.6
163.14793	7.4
165.12814	0.9
165.16370	9.1
167.14221	0.8
175.14795	8.4
177.16389	1.9
179.17921	4.8
181.15831	1.1
189.05403	0.9
189.16304	4.1
203.17928	1.5
207.17307	1.0
217.12239	0.8
217.19481	1.5
221.13147	1.2
245.11635	1.1
245.22614	37.8
246.22998	0.9
263.12753	1.7
263.18188	4.1
263.23666	92.5
264.23950	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	263.1274
Annotation	Wutaiensal
Peak:m/z	Relative Intensity
55.05504	1.0
57.03421	0.6
66.29020	0.5
67.05494	1.2
69.03406	0.7
69.07050	1.3
70.06544	0.5
71.04971	0.8
71.79355	0.7
79.05479	0.9
81.07050	3.5
83.01313	0.7
85.02885	1.0
91.05452	1.8
91.73655	0.4
93.07001	2.1
95.04950	0.7
95.08582	3.2
99.08070	7.0
105.07009	1.9
106.09663	0.5
107.04919	0.5
107.08575	1.8
109.06485	0.8
109.10127	1.8
117.06999	1.1
118.60036	0.4
119.08543	2.2
121.10151	0.7
121.45989	0.4
123.11674	0.9
128.06160	0.5
129.06982	0.8
130.07808	0.6
131.08534	1.8
133.06465	0.8
133.10107	1.5
135.08022	1.2
135.11682	0.6
137.05988	1.0
137.09615	0.7
141.06979	0.4
142.07718	0.7
142.16913	0.5
143.08516	1.3
144.05750	0.7
145.06496	0.9
145.10092	2.5
147.04391	0.5
147.07999	1.6
147.11632	0.8
149.09557	0.8
155.08623	1.0
157.06390	0.6
157.10133	1.0
158.07175	0.7
159.08069	3.5
159.11687	0.9
161.05980	1.3
161.09583	1.0
161.13164	0.9
163.07587	0.6
163.11169	1.9
165.05472	1.7
171.07985	1.6
171.11710	0.9
173.09593	5.9
175.07491	5.1
175.11147	1.7
176.08304	1.9
177.05423	0.7
177.09113	1.6
179.07013	0.8
181.10074	1.0
185.09583	1.1
185.13165	0.5
187.07518	1.6
188.08296	1.0
189.09077	1.8
189.12646	0.8
191.10646	1.1
192.07834	1.1
193.08597	3.5
199.07512	1.4
199.11142	3.9
201.09071	4.2
203.07037	2.7
203.10594	4.6
204.07726	3.1
205.08531	1.9
207.06454	1.3
208.07219	0.6
209.09567	1.4
212.08337	0.7
215.07054	1.1
216.07956	0.6
217.12274	1.3
218.13020	0.9
219.10132	80.8
220.10516	1.4
221.08128	0.7
221.11691	2.6
227.10674	4.7
229.08594	1.0
229.12289	0.5
230.09416	1.5
230.12840	0.5
231.10223	0.6
233.11642	0.5
235.13167	0.7
245.11693	13.9
245.15462	0.7
245.18973	0.5
245.22662	0.5
246.12436	1.0
263.12747	100.0
263.20117	2.2
264.13184	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	263.1386
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.85617	0.4
54.91562	0.4
55.01871	0.5
55.05507	1.0
55.23117	0.4
65.59425	0.4
67.05492	1.1
67.67973	0.3
68.36825	0.3
69.03422	0.5
69.07065	0.5
70.06579	28.9
70.93453	0.4
71.78501	0.6
72.08144	0.6
81.07043	0.7
84.08088	0.5
85.02895	1.3
86.09694	1.2
86.22937	0.4
91.05469	1.4
93.07023	1.7
95.08588	6.1
97.02898	0.5
97.06523	0.5
103.05455	5.8
104.05306	0.6
105.03372	0.5
105.07009	1.4
107.08552	0.5
113.09628	1.5
114.05518	0.4
114.10255	0.5
116.07072	83.5
117.07416	0.7
119.08527	0.7
120.08083	100.0
121.08432	1.4
123.08064	2.6
130.06497	3.2
132.04384	0.5
133.02855	1.2
134.05949	0.6
135.08037	1.3
136.06105	0.4
141.09079	0.9
142.07751	0.6
145.72401	0.4
147.04462	0.4
149.05930	0.5
157.07576	2.7
158.05959	1.5
159.10136	0.8
161.09663	0.5
175.08696	1.9
199.10986	0.6
204.10172	1.0
207.06570	0.7
217.02158	0.4
217.13313	0.7
245.12698	1.4
263.04514	0.8
263.13843	19.9
276.17136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1273
Annotation	Trixol
Peak:m/z	Relative Intensity
52.06844	1.0
53.03935	1.6
54.83707	0.9
55.01848	3.0
55.05493	2.6
67.01876	1.1
67.05476	4.8
69.03088	1.1
69.03419	8.6
69.07043	1.5
69.61652	9.0
71.04964	1.4
79.05471	4.8
81.07044	6.5
83.04963	3.1
85.02894	2.3
90.36423	1.1
91.05476	8.8
93.07021	5.3
95.04945	4.3
95.08611	1.5
97.02914	2.5
97.06517	14.0
98.20679	2.2
103.05437	1.2
105.07001	9.5
106.00482	1.0
107.04893	1.4
107.08586	10.8
109.02869	3.7
109.06492	5.5
109.10164	2.1
110.12730	1.1
111.04453	7.1
111.08033	1.4
113.02345	4.3
115.05427	3.3
117.06981	4.0
119.04907	1.7
119.08546	8.7
121.06491	3.9
121.10126	1.4
123.04394	6.3
123.08044	2.3
128.06186	3.4
129.06979	4.4
130.07767	1.3
130.85966	1.0
131.08531	6.0
133.06468	2.6
133.10094	4.1
135.08031	100.0
137.05962	2.8
137.09587	1.5
139.03922	1.2
139.07527	1.9
141.06926	3.0
142.07742	5.1
143.08568	7.5
144.09319	2.6
145.06453	3.3
145.10085	3.6
147.04471	1.2
147.08009	9.2
147.11604	1.8
149.05977	2.0
149.09558	2.6
151.07550	1.7
154.07765	1.4
155.08546	2.6
156.09315	6.2
157.06496	1.7
157.10092	4.9
159.08031	7.4
159.11652	12.0
161.05936	4.3
161.09621	5.4
163.07573	2.7
165.09134	2.6
166.07758	2.2
169.06410	1.4
169.10129	2.2
171.08014	4.2
171.11632	8.3
171.60483	1.3
172.08844	5.8
173.09627	9.9
175.07497	3.7
175.11157	4.0
181.10083	3.8
183.07948	1.3
184.08760	4.6
185.09558	6.4
187.07556	2.4
187.11147	31.4
188.08249	2.9
189.05524	1.4
189.09160	2.6
189.12726	3.1
193.99675	2.0
199.07474	2.6
199.11148	18.6
201.12750	1.9
202.09764	1.5
203.07016	1.5
203.10651	30.5
205.08565	2.0
209.09666	1.3
212.08324	3.8
215.10646	23.2
217.07748	1.7
217.12244	19.8
219.09210	1.6
227.10603	15.8
233.08243	1.9
233.11722	23.9
245.11700	55.0
260.97971	1.0
263.08197	25.3
263.12695	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99834	0.5
63.79580	0.4
69.27551	0.4
70.56010	0.6
70.56403	0.8
77.00893	1.1
81.03428	0.5
82.99865	1.2
88.57436	0.4
95.01942	0.6
101.00862	14.0
105.00358	0.6
112.89587	4.7
113.00890	0.8
114.89322	2.5
115.02400	0.5
119.01904	36.7
120.01969	0.5
127.02406	0.5
131.01872	4.7
133.03381	0.8
137.02931	5.0
142.03456	0.8
143.01881	34.9
144.01926	0.4
145.03447	2.2
147.03934	0.4
149.02937	0.6
155.01877	1.4
157.03450	5.0
159.01396	0.6
161.02939	100.0
162.03032	1.8
165.99335	0.4
173.02951	5.6
175.04482	1.3
179.04015	3.5
184.04539	4.0
185.02922	2.5
191.03979	4.1
197.02887	0.5
203.03983	37.0
204.04266	0.5
221.05046	6.4
233.05356	0.4
239.06070	3.1
239.94005	0.4
245.05048	0.6
263.06085	38.6
263.92706	0.5
264.06238	0.8
269.86240	0.5
281.07083	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	263.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01857	6.4
55.05501	11.9
56.96556	52.2
57.03429	10.5
57.07063	13.4
59.04998	4.8
60.04529	1.9
61.02912	7.0
65.03932	3.3
67.05496	26.2
68.99780	2.1
69.03420	25.3
69.07059	9.9
70.06583	11.9
70.72225	3.7
71.01328	2.3
71.04978	7.5
72.08136	7.0
73.02895	12.1
73.06537	12.9
74.06074	3.2
79.05464	3.1
81.03425	9.2
81.07040	6.1
82.06553	1.9
83.04966	4.9
83.08584	2.6
84.04495	15.3
84.08130	9.1
84.96027	5.9
85.02896	29.5
85.06530	37.4
86.06879	2.1
86.09695	5.8
87.04459	2.6
91.05476	4.9
93.07018	2.3
94.06572	1.7
95.01331	2.3
95.04966	15.0
95.08598	17.2
96.04456	1.7
96.08109	1.9
97.02879	23.9
97.06526	3.7
98.05993	3.7
98.97569	68.5
99.04435	5.1
99.97861	2.5
101.00861	9.5
101.02345	2.5
101.06001	2.3
102.34347	1.9
102.96949	2.0
105.06987	3.7
107.04955	3.6
109.02872	11.4
109.06532	1.9
110.07152	5.3
110.09680	2.9
110.97575	7.1
111.53638	5.0
112.07588	15.2
112.99046	2.6
113.00903	1.6
113.05990	15.6
113.09612	5.7
114.05520	6.8
114.09142	2.9
114.10319	2.4
115.03889	1.9
116.98605	51.7
117.03732	2.0
119.01888	39.2
119.03436	6.3
120.08100	2.7
121.06453	1.8
122.06018	2.2
123.08041	4.9
125.03597	2.7
127.03909	10.9
128.02307	4.9
128.07045	1.9
128.98592	13.2
130.05003	12.0
130.06490	3.3
130.08630	27.8
131.00206	3.9
131.01889	20.3
131.07051	7.5
132.04427	2.7
133.06490	1.8
134.99640	34.5
135.04469	2.3
135.08040	1.9
136.07553	4.1
137.02937	8.7
137.05962	4.5
139.03865	4.1
140.00215	2.0
140.07042	18.3
140.10677	3.6
140.79208	1.6
141.11046	5.4
142.03346	2.2
142.05000	7.3
143.00143	6.6
143.01892	27.7
144.08012	3.0
145.01715	4.2
145.03493	2.4
145.04927	4.3
146.04088	3.7
146.05998	2.3
146.99619	15.4
147.03259	7.7
147.04337	3.6
148.03790	2.3
149.01180	4.9
149.02971	4.9
150.96870	2.4
152.02353	1.9
153.00684	3.2
155.01917	7.7
155.04626	60.6
155.11792	2.1
155.54811	5.0
156.03355	4.7
157.03516	2.6
158.06662	14.7
158.99629	27.5
159.03281	2.0
159.10144	2.4
161.01282	9.6
161.02939	100.0
161.04427	3.9
161.05887	3.5
162.03041	2.5
162.04192	3.8
162.05347	1.9
162.99106	2.6
163.02713	4.1
163.03922	13.5
164.05173	49.1
164.55342	4.6
165.00742	3.9
165.04355	7.3
165.54672	3.2
166.55467	10.8
170.99652	6.7
173.01360	2.9
173.02927	24.5
174.04332	10.9
174.55180	4.5
175.02850	3.9
175.04358	2.1
175.56023	2.2
176.07693	13.4
177.00699	37.1
178.98650	2.0
179.02255	3.6
179.03944	3.7
182.05251	1.9
183.55656	2.1
184.04745	3.9
184.09698	10.9
185.02933	4.4
185.04466	3.1
186.04456	9.1
187.10669	3.7
188.07651	2.3
188.97179	2.5
189.00758	9.5
189.04242	4.1
191.02284	3.8
191.03917	24.8
193.03894	2.0
195.01680	4.3
197.02972	2.7
198.04669	4.1
200.02386	3.1
200.07120	4.7
201.00735	4.9
201.12308	21.8
202.06792	6.7
202.10793	4.9
203.02251	4.4
203.04010	23.1
204.05566	10.4
205.03766	2.2
206.98140	1.9
207.05254	2.0
211.07263	26.2
211.57372	3.5
217.00130	9.2
217.03593	2.0
217.09784	3.6
219.01759	16.0
220.05453	1.6
220.07829	6.7
221.03197	3.3
221.05119	3.8
225.10847	7.4
226.03841	2.1
230.03317	2.6
231.05367	2.7
231.58621	2.9
232.07843	2.4
233.05014	2.5
235.01247	4.2
237.02783	28.9
243.11870	5.6
245.05098	1.9
245.09299	2.2
245.15021	2.0
251.04381	3.7
251.12357	22.9
251.54414	2.8
254.05252	2.6
254.07542	2.7
261.02768	2.3
263.00946	2.5
263.06003	24.2
263.13968	9.8
263.16681	2.8
263.58374	11.3
269.13480	13.1
281.13412	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	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27441	0.4
56.96298	0.5
56.96560	6.9
61.02903	1.7
69.03408	0.6
70.06564	0.6
70.27975	1.5
70.98113	1.0
71.04969	0.5
73.02902	0.8
81.03407	0.9
82.99841	1.5
84.08127	0.5
85.02877	1.9
86.09735	0.6
86.99336	0.7
91.23888	0.4
97.02868	1.3
98.20724	0.5
98.97572	6.1
101.00864	13.3
105.00328	0.7
113.00838	3.0
116.98627	4.1
119.01910	33.2
120.01966	0.7
127.03914	0.9
128.98543	0.7
130.08633	1.4
131.01888	16.0
133.03421	0.9
134.99658	1.6
137.02954	4.2
142.96553	0.8
143.01883	33.5
145.03459	1.2
145.04974	0.5
146.99640	0.7
149.02930	3.2
154.03690	0.6
155.01874	8.3
155.04626	0.6
157.03445	2.1
158.99637	0.9
161.02943	100.0
162.03064	1.3
165.00630	0.5
167.01875	1.2
172.97554	0.5
173.02942	25.9
174.55133	0.7
175.04507	0.6
177.00687	0.8
179.04024	2.4
183.55704	0.8
184.04555	2.0
185.02942	5.7
188.97041	2.3
189.00728	0.8
190.98601	1.2
191.03984	19.5
193.00163	0.6
197.02922	1.1
202.98669	1.1
203.03986	21.1
204.04172	0.5
206.98096	1.3
215.03937	0.9
217.00194	0.8
220.99678	1.1
221.03299	0.7
221.05070	3.5
230.98045	1.3
232.99803	0.5
233.04987	2.1
239.06070	1.1
245.05048	1.3
248.99190	0.8
263.06107	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99834	0.5
63.79580	0.4
69.27551	0.4
70.56010	0.6
70.56403	0.8
77.00893	1.1
81.03428	0.5
82.99865	1.2
88.57436	0.4
95.01942	0.6
101.00862	14.0
105.00358	0.6
112.89587	4.7
113.00890	0.8
114.89322	2.5
115.02400	0.5
119.01904	36.7
120.01969	0.5
127.02406	0.5
131.01872	4.7
133.03381	0.8
137.02931	5.0
142.03456	0.8
143.01881	34.9
144.01926	0.4
145.03447	2.2
147.03934	0.4
149.02937	0.6
155.01877	1.4
157.03450	5.0
159.01396	0.6
161.02939	100.0
162.03032	1.8
165.99335	0.4
173.02951	5.6
175.04482	1.3
179.04015	3.5
184.04539	4.0
185.02922	2.5
191.03979	4.1
197.02887	0.5
203.03983	37.0
204.04266	0.5
221.05046	6.4
233.05356	0.4
239.06070	3.1
239.94005	0.4
245.05048	0.6
263.06085	38.6
263.92706	0.5
264.06238	0.8
269.86240	0.5
281.07083	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	262.1798
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.91292	0.3
57.07061	3.0
69.03415	0.6
70.06580	6.0
71.08626	2.1
84.08101	0.4
85.06541	0.7
87.04453	27.7
88.07616	6.6
102.09167	0.6
105.07017	0.4
106.08678	0.8
112.05140	0.4
114.09155	2.5
116.05215	0.4
118.06516	8.9
118.08639	1.0
130.06485	0.5
132.08083	3.5
132.09071	0.4
132.10184	9.0
133.06430	0.5
133.08855	1.3
134.09583	0.9
146.09615	2.7
147.10385	0.4
149.63643	0.3
150.11227	7.6
176.14317	64.4
176.99899	0.3
177.14540	0.7
200.20045	0.7
203.07034	0.5
218.21135	2.5
244.09702	1.5
262.17987	100.0
262.23727	50.0
263.18347	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70579	31.4
95.68059	13.0
101.00881	16.7
101.31169	12.5
119.01885	21.8
119.79382	13.6
131.01863	22.7
139.15753	13.8
143.01880	39.3
155.01860	23.3
161.02942	77.3
173.03036	27.9
203.03946	24.4
205.91078	15.0
216.63454	13.5
263.01584	100.0
263.06122	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03927	1.9
55.01854	0.8
55.05503	8.4
57.03428	0.7
57.07050	2.3
62.82435	0.6
67.05494	22.8
69.06734	0.6
69.07060	7.6
71.04978	1.9
71.08604	1.3
76.73967	0.6
79.05481	28.1
81.07045	27.3
83.04951	1.3
83.08611	3.5
85.06542	3.3
85.10153	0.6
89.66203	0.5
91.05466	13.6
93.07030	40.7
94.07359	0.7
95.04965	3.3
95.08591	22.8
97.06525	2.1
97.10143	2.0
98.21440	1.5
99.08100	2.8
105.04510	0.8
105.07013	12.3
107.08582	28.2
107.09328	1.4
109.06501	1.2
109.10148	11.3
111.08075	1.6
113.09629	1.6
117.06991	4.1
119.08560	10.7
121.10130	29.3
121.39864	0.6
123.08041	1.4
123.11697	4.3
125.09590	1.2
129.06914	0.8
131.08543	10.3
133.10103	7.8
134.25804	0.5
135.08026	0.7
135.11673	22.1
137.09636	0.9
137.13225	1.5
139.11081	0.6
141.12634	0.6
145.10120	10.0
147.11665	9.1
149.13232	17.7
151.11186	1.1
159.11687	8.0
161.13235	10.0
163.14804	17.0
165.12732	1.1
173.13249	8.9
175.14801	3.2
177.16362	5.1
179.14217	0.9
187.14769	4.6
189.16389	0.7
201.16354	2.7
205.15868	0.9
215.17921	7.3
219.01422	0.6
219.17415	1.0
233.22491	0.9
243.10066	0.7
243.13963	0.6
243.21054	24.2
244.21352	0.7
261.03754	0.8
261.11246	1.8
261.22101	100.0
262.14386	1.9
262.22357	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.95364	0.4
55.01862	0.6
55.05502	8.5
55.80462	0.3
57.03431	1.3
57.07067	3.4
59.04974	0.4
65.03927	0.9
66.52925	0.4
67.05493	30.9
68.05772	0.4
69.07054	8.5
71.04966	1.8
71.08615	1.1
71.28262	0.4
71.28606	0.9
77.03925	0.5
78.04726	0.4
79.05482	37.9
80.05782	0.3
81.07043	33.8
83.04971	1.0
83.08602	5.2
85.06529	2.6
91.05464	19.1
93.07029	53.1
94.07354	0.8
95.04946	3.5
95.08593	25.2
97.06524	2.5
97.10155	2.4
99.08078	2.6
105.04523	0.5
105.07017	13.1
107.08578	36.2
108.08887	0.5
109.06517	1.9
109.10143	11.8
109.10860	0.8
111.08118	2.0
113.09648	1.0
117.07003	5.4
119.08563	11.1
121.10130	32.6
122.10464	0.5
123.08044	0.6
123.11694	3.9
125.09640	0.5
125.72141	0.4
127.11185	0.6
131.08546	9.7
133.10109	9.7
135.11671	25.5
136.12018	0.6
137.09630	1.2
137.13246	1.4
139.11200	0.8
143.08614	0.4
145.10103	10.5
147.11665	9.5
149.13239	19.9
149.84694	0.4
151.11168	0.7
151.14798	0.6
153.12816	0.5
159.11671	9.2
160.12149	0.4
161.13237	8.6
163.11206	0.5
163.14795	15.3
165.12755	1.1
173.13226	9.3
175.14803	3.4
177.12785	0.4
177.16393	4.1
179.14386	0.9
187.14806	5.6
189.16406	0.5
191.14330	0.4
193.15846	0.4
201.16367	3.1
203.17929	0.7
205.14101	0.5
205.15839	0.5
215.17935	2.7
217.19487	0.6
233.22610	1.0
243.10219	0.4
243.21053	25.3
244.21385	1.0
261.22104	100.0
262.22403	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.40192	0.3
53.03932	1.3
54.92524	0.3
55.01868	0.4
55.05502	8.4
56.26804	0.4
57.03423	1.0
57.07062	2.9
59.04992	0.5
60.28146	0.4
60.70521	0.4
65.03914	0.9
67.05492	28.4
69.07055	9.2
70.22839	2.1
71.04973	1.5
71.08591	0.8
77.03896	0.7
79.05478	37.0
81.07040	32.7
83.04960	0.9
83.08602	4.9
85.06535	2.4
91.05462	18.2
93.07025	50.1
94.07366	0.5
95.04955	3.6
95.08589	24.4
97.06512	2.5
97.10143	1.9
98.20744	0.6
99.08064	2.6
105.04512	0.7
105.07007	13.7
107.08574	32.2
108.08905	0.6
109.06483	1.4
109.09388	0.6
109.10132	11.0
111.08076	1.8
111.11712	0.5
113.09631	1.0
115.05357	0.4
117.06990	4.6
119.08559	10.4
121.10124	29.9
122.10447	1.0
123.08050	1.4
123.11655	3.4
125.09612	0.9
130.07710	0.4
131.08543	11.8
133.10104	9.1
135.08064	0.7
135.11667	25.8
136.12018	0.7
137.09578	1.0
137.13205	1.0
139.11162	0.7
142.14104	0.4
145.10094	9.9
147.10539	0.7
147.11655	8.2
149.09648	0.8
149.13228	20.6
151.11174	0.7
153.12691	0.5
159.11667	9.0
161.13226	8.4
163.11154	0.5
163.14795	15.0
165.12732	1.1
173.13235	7.7
173.14738	0.5
174.13625	0.4
175.14790	3.4
177.12872	0.4
177.15012	0.6
177.16351	4.0
179.14296	1.1
187.14799	5.7
188.30222	0.4
189.16425	0.9
191.14232	0.5
201.16307	2.5
203.17848	0.6
205.15829	1.1
215.17883	2.6
217.19582	0.5
219.17474	0.7
233.22643	0.8
243.21048	24.1
244.21336	1.2
261.22095	100.0
262.22479	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01836	0.6
55.05502	8.8
57.03416	1.0
57.07065	2.7
59.49898	0.5
62.70634	0.4
65.03919	1.0
67.05494	29.3
69.07056	8.7
69.67826	1.4
69.68249	2.1
71.04989	2.4
71.08609	1.2
73.98948	0.4
77.03905	0.7
79.05480	38.6
81.07042	35.4
81.07444	0.6
83.04976	0.7
83.08604	5.5
84.08453	0.5
85.03016	0.4
85.06535	3.2
91.05462	18.7
91.51125	0.5
91.67485	0.4
93.07028	55.7
94.07355	0.5
95.04952	3.4
95.08591	26.9
97.06511	2.6
97.10147	1.8
99.08089	2.6
105.04477	0.7
105.07014	13.9
107.04906	0.5
107.08576	36.2
108.08897	0.7
109.06496	1.5
109.10138	12.4
111.08073	2.1
113.09612	1.1
117.06991	5.2
119.08561	12.0
121.10120	32.6
122.10456	0.9
123.08046	1.1
123.11682	3.9
125.09590	0.7
127.11223	0.5
129.06998	0.7
131.08549	12.2
133.10110	10.4
135.07953	0.5
135.11668	26.1
137.09576	1.5
137.13255	1.1
139.11150	0.8
145.10095	10.5
146.35167	0.4
147.11653	8.5
147.12712	0.8
149.09679	0.6
149.13229	20.4
151.11147	0.6
151.14774	0.5
159.11684	8.2
161.13240	9.9
163.11140	0.5
163.14796	16.8
164.15120	0.4
165.12718	1.4
173.11848	0.4
173.13219	9.1
175.14806	3.0
177.16339	4.8
179.14287	1.1
187.14822	5.8
189.16359	0.7
191.14294	0.5
201.16313	2.6
215.14311	1.7
215.17929	3.8
219.17334	0.8
233.22672	0.8
235.89175	0.5
243.21042	27.1
244.21495	0.7
261.22101	100.0
262.22446	3.0
264.76971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	1.6
55.01871	0.8
55.05503	8.8
57.03418	1.2
57.07066	2.5
59.04972	0.5
65.03926	0.9
67.05494	29.0
69.07062	8.6
71.04974	1.3
71.08613	0.8
77.03899	0.4
79.05482	39.2
80.05796	0.7
81.07043	34.7
81.88932	0.4
82.07383	0.4
83.04961	0.5
83.08601	5.1
85.06525	2.9
85.50269	0.4
91.05469	18.7
93.07030	50.9
94.07362	1.0
95.04962	3.5
95.08593	26.0
97.06525	2.8
97.10146	1.8
99.08080	2.9
102.44366	0.4
105.04469	0.4
105.07017	12.9
107.08579	34.5
108.08907	0.7
109.06496	1.6
109.10142	11.2
111.08051	2.4
113.09641	1.3
117.07008	5.1
119.06084	0.7
119.08564	10.7
119.09402	0.8
121.10128	30.5
122.10458	0.5
123.08042	1.1
123.11696	3.6
125.09621	0.8
129.06985	0.4
130.07774	0.5
131.08556	10.0
133.10109	9.6
135.11674	26.7
136.12007	0.6
137.09628	1.6
137.13223	1.3
145.10112	10.7
147.11667	9.6
149.09604	0.9
149.13232	21.0
150.13585	0.4
151.11159	0.7
153.12695	0.7
159.11667	8.5
161.13239	9.6
163.14796	15.2
164.10715	0.3
165.12749	1.2
173.13239	8.5
175.14801	3.6
177.12744	0.6
177.16350	3.5
179.14296	1.0
187.14806	5.8
191.14265	0.4
201.16382	2.1
203.17828	0.5
205.15808	0.5
215.17924	2.7
217.19403	0.5
219.17412	0.4
233.22562	1.3
243.21048	24.2
244.21425	0.5
261.22101	100.0
262.22443	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
53.30169	1.1
54.82585	1.0
55.01865	6.7
55.05504	19.4
56.05019	4.6
57.03422	1.2
57.06872	0.9
57.07067	9.8
58.99578	15.0
61.01136	5.4
67.05494	6.1
68.05004	2.1
69.03410	4.4
69.07060	7.4
70.02935	3.1
70.06577	3.1
71.04977	2.4
71.08607	1.3
71.79311	2.0
73.01127	9.1
74.00652	7.7
74.02431	1.8
75.29675	1.0
75.69809	1.0
76.02225	3.1
76.03986	2.6
79.05479	10.2
81.07045	29.0
82.06553	3.1
83.04976	2.4
83.08608	17.5
84.04488	13.2
85.01110	7.8
85.02903	2.6
85.04026	1.3
85.06512	1.9
86.99042	5.8
87.02702	2.5
87.04446	1.6
88.02198	6.9
91.05473	3.8
93.07035	7.4
95.04948	2.5
95.08597	9.6
95.32112	1.0
97.06550	2.3
97.10168	1.0
98.09682	5.5
99.02687	9.0
99.04420	2.3
99.08067	2.7
100.11244	37.9
102.03758	1.3
105.07030	5.6
107.08575	9.6
108.08924	1.0
109.10155	5.9
111.04507	1.3
112.03243	1.8
112.03951	15.4
112.11223	14.3
113.04224	1.7
115.05773	13.6
115.17232	1.1
116.01668	27.8
116.05304	21.3
119.08544	5.8
120.08140	1.7
121.10145	5.1
122.09685	3.0
123.11716	2.5
124.11231	5.1
125.09607	1.4
127.03908	1.2
130.04961	11.6
131.08588	2.6
133.10158	4.2
135.11723	1.7
137.13182	1.5
141.07318	18.0
143.08696	1.9
144.01140	4.4
145.10114	4.2
147.11684	4.6
149.13289	1.5
155.08514	1.4
157.10109	1.3
158.09990	95.7
158.11758	48.1
159.08000	2.0
159.11693	4.5
161.13332	1.3
162.02179	16.9
173.13271	2.3
174.02209	1.3
185.13303	1.7
187.14813	2.5
201.05675	1.2
201.16353	1.9
203.17937	3.0
215.10518	1.4
219.10136	5.6
243.17557	1.8
243.21037	3.2
244.09990	54.1
261.12704	100.0
261.18414	7.9
261.22144	4.4
261.25793	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	261.1118
Annotation	4-Methoxy-3,3',5-trihydroxybibenzyl
Peak:m/z	Relative Intensity
55.05497	0.3
67.05481	0.7
69.03406	0.4
69.29524	0.3
71.79694	0.5
79.05476	0.5
81.07028	0.7
83.04934	0.3
91.05457	0.8
93.07018	1.0
95.04974	0.3
95.08562	0.6
105.07027	1.3
107.08576	0.8
115.80888	0.3
117.06978	0.6
119.08557	0.7
121.06468	0.4
121.10126	0.4
123.04360	0.3
123.08051	0.3
129.06973	0.5
130.07764	0.8
130.91364	0.3
131.08551	1.3
133.06447	0.5
133.10088	0.4
134.24451	0.2
135.08005	1.0
135.11697	0.4
143.08524	0.4
145.06418	0.5
145.10089	2.4
149.09657	0.4
155.08504	0.7
157.06415	0.5
158.07245	1.4
159.08015	2.9
159.11665	0.5
161.13216	0.3
163.11165	2.3
165.51189	0.2
173.09595	6.5
175.07539	0.4
176.08278	1.5
177.09077	1.2
186.06688	0.5
191.06989	0.3
191.10619	0.9
201.09085	4.5
203.07018	0.4
204.07765	3.0
213.23901	0.2
215.17891	0.7
219.10129	100.0
220.10458	2.0
233.11644	0.6
243.10138	0.6
243.20967	0.4
261.03793	0.4
261.11172	18.1
261.18420	1.2
261.22064	0.6
262.11441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0302
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96558	1.7
70.80026	0.3
70.80389	0.5
84.96007	0.4
98.21291	0.2
98.97565	7.4
99.97889	0.2
101.00858	1.5
102.96849	0.3
105.98826	0.2
110.97573	0.2
116.98602	5.7
118.98190	0.3
119.01899	6.8
120.97845	0.4
128.98567	0.3
131.00146	0.4
134.99634	2.6
137.02948	1.6
140.00119	0.2
140.98627	0.6
142.03375	0.2
143.00139	0.5
146.99632	0.3
149.01196	0.2
153.00809	0.3
158.99710	1.1
161.01205	0.6
170.99556	0.4
173.01151	0.3
177.00902	12.9
178.01051	0.6
182.99814	0.5
189.00681	0.7
191.02286	0.5
195.01875	0.3
201.00761	1.3
217.04053	2.2
219.01964	20.2
220.02092	1.0
225.00836	1.8
231.01762	0.3
237.02777	0.4
237.98610	0.3
242.03546	0.2
243.01944	7.7
244.02036	0.3
261.03012	100.0
262.00302	0.3
262.03159	6.2
263.03470	0.4
266.03589	0.3
266.87766	0.2
273.39578	0.2
275.04553	0.3
278.97128	0.4
279.00598	4.8
279.03821	0.4
284.04642	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	261.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27654	0.5
50.54294	0.5
52.16260	0.5
53.03945	0.5
54.32549	0.5
54.65458	0.5
55.01860	1.0
55.05507	1.3
56.05016	1.1
56.96546	0.7
57.03428	1.3
57.07067	0.8
61.02908	0.6
67.05478	0.9
69.03423	2.1
69.07070	3.7
69.07401	0.6
69.95476	1.9
69.95895	1.4
70.06573	1.4
71.01346	0.6
71.04990	1.8
72.08134	1.3
73.02908	0.5
74.02412	1.1
81.03410	1.2
81.07046	1.0
83.04964	0.7
83.08638	0.5
84.04495	24.8
84.08138	2.4
85.02894	100.0
86.03223	0.6
86.06042	1.2
86.09693	50.7
87.10050	0.9
91.05478	1.7
93.07036	0.7
95.01315	11.6
95.04988	0.6
97.02886	2.8
97.51217	0.5
98.09669	1.5
98.97591	1.4
99.00798	0.9
99.04433	2.2
102.05519	1.4
103.05507	0.7
107.04926	0.8
109.02877	0.9
111.04278	0.5
113.02364	1.4
114.05492	0.6
114.09155	0.6
116.10745	3.3
116.98626	0.8
119.04948	1.2
119.08562	0.5
120.08113	0.8
121.02950	0.6
123.04459	1.6
123.08105	0.6
126.01347	0.5
127.03893	13.5
130.04994	4.9
130.06471	2.6
130.08638	1.0
131.04929	1.2
131.08966	0.5
132.10185	23.7
133.10283	0.5
135.04416	0.8
135.08032	0.9
137.05933	1.5
141.01805	29.9
142.04977	1.0
145.06516	0.7
148.06053	0.8
151.03905	1.9
152.10745	0.7
157.07561	0.9
158.05978	2.7
158.99620	0.6
159.02881	1.7
170.11716	1.3
173.05959	0.6
176.61349	0.5
177.00684	0.7
177.11296	0.5
183.02863	3.8
198.11237	5.6
199.11183	0.6
201.03902	6.3
201.05428	0.6
215.07079	1.2
215.10747	0.9
219.01802	0.7
233.08081	0.6
235.37317	0.6
243.13419	1.2
244.11783	4.7
261.03848	4.2
261.07663	2.7
261.11829	0.8
261.14532	10.5
261.18149	2.4
261.22134	0.8
277.00742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1603
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.01452	0.6
54.58284	0.7
55.05498	0.8
56.05025	5.0
56.96555	4.5
57.03422	0.9
61.02933	0.9
67.05496	0.6
69.03412	1.7
69.07066	5.4
70.06580	2.7
71.04979	0.7
71.79100	1.0
72.08143	2.3
73.02931	0.6
74.02439	5.6
74.52167	0.5
75.02773	1.4
79.05502	1.4
82.06569	0.6
83.06095	28.8
84.04498	51.6
84.08134	15.0
84.96024	0.6
85.02898	3.7
85.04821	2.4
85.06541	1.1
86.09696	100.0
87.10004	0.6
90.05545	2.0
91.05476	1.1
95.04951	1.4
97.02881	1.7
98.06044	1.1
98.09688	0.7
98.97566	5.2
101.07118	4.5
102.05530	1.0
109.02863	1.6
110.06033	1.2
110.97598	1.1
111.04412	0.8
114.09174	2.6
116.07064	0.8
116.98638	4.5
127.03931	0.7
128.07112	0.9
128.98590	1.5
129.06578	3.7
129.10239	2.5
130.04973	3.1
130.06535	2.3
130.08620	5.4
131.05345	1.1
131.08977	2.4
132.10188	19.0
134.99667	2.4
140.03418	1.0
140.07109	1.5
141.06592	1.9
143.00215	0.8
143.11824	3.1
144.06593	0.6
146.04204	0.6
146.99626	0.8
147.04395	0.6
147.07620	3.9
147.11296	2.1
150.09109	0.6
151.09497	1.8
152.10695	0.7
155.04639	0.8
156.06537	0.9
157.13350	8.3
158.05923	1.0
158.99687	2.2
161.01248	0.8
165.09109	0.8
170.99751	0.7
171.11273	6.4
177.00725	3.6
185.12851	3.8
189.00668	1.2
189.12347	1.2
196.14433	4.7
197.10027	1.5
197.12820	18.5
198.11351	0.8
216.12341	2.1
217.13379	0.7
219.01797	1.9
225.12349	2.4
237.02811	3.0
242.08179	0.9
242.14986	40.6
243.10806	1.4
243.13364	25.7
258.11252	0.6
260.07291	1.3
260.10471	1.1
260.13342	3.9
260.15607	3.9
260.19452	3.4
261.02850	0.7
261.07895	0.6
261.12219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.7
55.05503	4.9
56.05026	3.7
56.96556	25.0
57.03411	2.9
57.07060	1.0
58.06584	0.7
58.84093	0.6
58.96194	0.8
60.04514	1.7
60.95837	2.2
61.02936	2.9
67.05491	1.9
68.05016	1.1
68.99817	0.6
69.03416	5.6
69.07059	3.4
70.06585	9.8
70.98101	1.3
71.04992	1.4
71.09453	1.7
71.95261	0.8
72.08142	10.9
73.02901	3.6
73.06545	1.4
74.02439	0.6
74.06065	1.7
74.97591	1.9
79.05482	1.5
81.03405	2.8
81.07040	1.0
82.06568	1.2
83.04981	1.5
83.06086	2.9
84.04499	13.6
84.08133	100.0
84.96024	4.0
85.02898	8.9
85.08482	0.9
86.06046	0.7
86.09698	26.4
87.04466	0.9
88.03990	1.8
88.99154	1.5
91.05478	1.9
93.04469	0.6
93.91672	0.6
94.06558	3.0
95.01292	0.9
95.04951	1.3
96.04485	3.9
96.08109	4.0
97.02877	5.8
97.04824	1.7
97.06532	1.3
97.08437	0.7
98.06042	1.3
98.09684	3.9
98.97571	36.2
99.04446	1.4
100.02174	1.3
100.04017	0.6
100.07592	1.0
101.10777	2.5
102.05537	1.4
102.09141	0.7
102.96896	1.4
107.00169	0.7
107.04949	0.9
109.02893	2.2
110.06059	1.2
110.07156	1.7
110.97556	2.9
112.07561	2.9
112.11248	1.3
112.99157	0.9
113.03511	0.7
114.05508	0.7
114.09148	15.7
114.09940	1.0
114.10329	1.0
115.02129	0.7
115.08713	2.4
115.09501	8.7
116.61036	0.7
116.98605	39.6
118.08643	0.9
119.01888	5.3
119.04892	0.7
120.01985	4.1
120.08017	1.0
120.97899	0.9
121.01657	1.5
121.06467	1.0
122.05997	0.9
124.99132	0.9
127.03902	2.4
128.07065	1.2
128.98576	6.0
129.06564	0.8
129.10225	19.5
130.04985	2.5
130.06541	4.1
130.08630	16.5
130.10590	0.9
131.00134	2.2
131.01865	0.8
131.08997	3.6
132.10205	2.5
133.03488	1.5
133.06465	0.8
134.03574	2.4
134.99640	31.7
135.09145	1.1
136.00018	0.6
136.09521	2.4
137.02980	1.8
137.04944	0.6
137.05983	1.8
138.03041	1.0
138.05478	1.2
138.09114	3.1
139.09523	3.7
140.00204	2.0
140.03416	11.3
140.07048	10.4
140.98610	2.0
142.08603	1.5
143.00148	3.2
143.01671	3.7
143.08160	2.8
143.11781	3.2
144.10132	0.7
144.98070	0.8
145.01781	1.2
145.03477	1.0
145.04996	0.9
146.02658	1.1
146.16634	0.8
146.99644	7.9
147.01424	0.7
147.03096	2.2
147.04381	1.8
147.07623	3.1
147.11272	10.4
149.01224	3.7
152.00284	0.7
152.04588	1.1
153.00684	6.0
154.08624	0.6
155.00136	1.0
155.04671	3.4
157.04347	2.1
157.07602	5.4
157.13354	0.7
158.01263	2.9
158.04474	14.1
158.99628	11.4
160.09682	1.5
161.01216	5.5
161.02934	2.0
161.06221	0.6
162.99107	0.8
163.02673	0.8
165.00719	2.6
166.04854	1.4
167.07002	0.8
170.01253	1.2
170.04955	0.7
170.99651	3.3
171.01131	9.2
171.11319	1.2
173.01210	4.1
173.02763	1.0
174.99225	1.2
175.00795	0.8
176.01053	2.7
177.00691	26.9
177.02240	1.6
178.01065	2.6
179.02231	1.9
181.00172	1.0
181.11676	0.9
182.09933	0.6
185.12895	1.5
186.04025	7.8
188.02353	0.6
189.00713	7.9
189.02345	1.0
189.04366	0.8
189.12405	0.9
190.02586	2.6
190.07463	0.9
191.02257	4.5
191.03961	2.0
193.00182	1.0
194.02036	1.0
194.97977	1.0
195.01732	7.4
195.05081	1.5
197.12721	1.8
198.14316	7.9
199.02647	0.6
199.04503	1.3
200.02324	2.8
200.05565	10.9
201.00671	5.1
201.02339	1.0
202.09190	0.7
203.02328	1.3
203.04050	0.9
204.05531	1.1
204.13582	0.7
205.00137	1.4
207.01773	2.0
207.05174	0.9
209.03291	0.8
213.00760	2.2
214.00186	3.9
214.10732	2.3
215.57344	1.4
216.07474	0.9
217.55858	0.6
218.00354	0.6
218.01892	3.5
219.01744	11.2
219.03453	0.6
219.05186	1.4
221.05072	0.7
226.03854	0.6
228.08499	0.9
228.99858	0.8
230.03294	0.8
231.01698	1.6
232.01328	0.9
233.03314	1.0
235.01266	1.2
236.01276	0.9
236.03250	2.2
237.02808	12.7
237.06210	1.0
239.04761	1.0
242.03398	1.8
242.07024	1.7
242.14955	2.1
242.18698	1.3
242.22377	0.9
243.01747	0.9
243.13365	1.8
243.17018	6.7
251.05959	1.0
255.03912	2.6
259.58508	1.0
260.04367	3.4
260.07544	3.1
260.10757	5.1
260.15094	1.4
260.16910	7.5
260.19724	27.2
260.58972	0.9
261.02823	5.6
261.05710	2.9
278.00842	1.0
278.97043	1.5
279.03778	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	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05487	11.0
57.07053	3.3
61.40888	2.9
67.05477	9.7
69.06718	4.2
69.07057	35.6
69.47507	28.4
69.47919	6.3
71.04984	30.1
79.05471	5.2
81.07053	22.5
83.04948	4.6
83.08597	10.3
85.06538	21.7
90.60378	2.6
91.05473	10.3
93.07040	18.0
95.04932	4.4
95.08586	25.0
97.06530	5.4
105.07018	31.5
107.08593	24.5
109.06476	12.0
109.10117	15.2
111.08074	17.8
115.88704	2.6
117.07008	10.1
119.08563	59.2
120.19511	2.8
121.10108	13.0
123.11705	27.0
131.08551	15.3
133.10106	43.7
135.08014	18.7
135.11653	9.9
137.09534	5.0
143.08554	5.9
144.09294	5.2
145.10104	33.3
147.11655	23.5
149.13203	3.3
152.51187	2.5
154.88664	3.2
157.10071	11.8
159.11690	37.4
161.09615	4.0
161.13234	43.7
163.11090	4.5
171.11629	17.7
173.13275	10.0
175.11139	3.0
175.14807	93.3
175.16357	4.6
176.15514	8.8
177.16330	4.7
185.13281	21.2
189.12735	7.1
189.16394	5.9
199.14760	6.7
201.16342	30.2
203.14307	11.0
215.17932	5.2
241.19516	17.9
259.20547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1689
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
55.05501	2.1
57.07063	0.8
65.03931	0.6
66.07573	0.4
66.11524	0.4
67.05498	2.2
69.07048	1.9
69.90537	2.8
79.05482	4.6
81.07045	6.3
83.08604	1.4
91.05462	6.2
93.07026	5.6
95.04951	0.7
95.08598	4.7
105.03365	1.4
105.07011	9.8
107.08582	10.2
109.06490	0.6
109.10137	1.7
115.05447	0.6
117.06997	2.7
119.08562	12.1
121.10123	2.2
125.05928	0.8
128.06216	1.7
129.01811	1.3
129.06996	4.7
131.08551	10.4
133.06491	0.7
133.10115	4.8
135.04356	0.8
135.11638	0.7
136.32867	0.5
142.07751	2.0
143.08548	16.9
145.10104	11.9
147.07953	0.6
147.11626	0.9
149.05928	0.6
149.09459	0.5
151.07520	2.1
155.08556	0.9
156.09306	1.2
157.10107	15.3
159.11682	3.3
161.09608	0.8
165.09108	0.7
169.10103	1.8
170.06998	0.4
170.10933	0.8
171.11668	26.0
172.12151	0.5
173.13239	1.8
175.07510	1.0
177.09114	4.1
181.10042	0.6
183.11635	1.6
184.12408	1.1
185.09544	0.6
185.13242	7.5
189.09096	2.4
189.12773	0.6
195.11743	0.8
198.13982	2.0
199.11186	0.8
199.14772	0.7
203.10616	1.2
211.14680	0.5
213.16354	100.0
214.16666	2.6
215.17993	1.0
217.12233	1.8
223.14769	1.4
231.17415	10.8
241.15930	2.8
241.19405	0.5
258.73212	0.5
259.06027	1.8
259.16907	43.8
260.17218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1688
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
54.39015	0.6
55.05478	2.5
57.30152	0.5
67.05475	2.6
69.07033	2.6
69.52831	0.6
71.69211	0.9
71.69555	0.7
72.84029	0.5
79.05482	5.9
81.06657	0.6
81.07044	6.4
83.08598	1.3
83.17550	0.5
85.86800	0.7
91.05478	6.0
93.07027	6.6
95.04956	1.0
95.08614	3.6
105.07014	9.6
107.08595	8.4
109.06505	1.0
109.10109	1.3
111.08074	0.6
112.19707	0.6
115.05422	0.6
117.06991	5.3
119.08569	11.3
121.10133	3.1
125.05941	0.7
128.06192	2.1
129.05444	0.7
129.06989	6.0
130.07718	0.8
131.07643	0.8
131.08556	10.6
133.06433	0.7
133.10135	5.5
142.07756	1.8
143.08551	14.9
145.10114	12.3
147.08018	1.0
147.11676	2.2
151.07513	2.1
153.09091	0.6
155.08521	0.8
156.09370	1.8
157.10120	19.2
159.11693	5.8
165.09048	0.7
169.10085	1.1
170.10951	1.5
171.11667	24.2
172.12064	0.7
173.13277	2.9
175.07597	0.7
177.09061	3.2
181.10098	0.7
183.11688	1.7
184.12459	1.2
185.13246	7.9
189.09074	2.0
195.11592	0.9
198.14012	1.3
199.14870	0.8
203.10704	1.2
213.16357	100.0
214.16690	3.9
216.04128	0.6
217.12204	2.1
223.14818	1.5
231.17430	8.6
241.15871	2.8
241.19556	0.9
259.06033	2.5
259.16922	44.2
259.20361	2.2
259.24423	1.6
260.17188	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	259.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.05021	3.0
56.96556	7.6
57.03426	1.6
67.05495	2.2
68.05007	1.0
69.03417	2.1
69.07082	1.1
69.98402	0.6
70.06578	4.5
70.89271	2.0
71.05000	0.8
72.08143	1.8
73.02899	0.7
74.02430	100.0
74.06062	1.0
79.05460	0.8
81.03416	1.0
81.07044	1.7
83.06084	2.1
84.04493	99.9
84.08132	6.8
84.96066	1.0
85.02902	4.7
85.06509	1.6
86.06022	0.8
86.09683	9.2
87.04389	0.7
95.04955	2.7
96.04472	1.8
97.02890	2.8
97.06548	0.9
98.97561	3.6
101.61839	0.7
102.05508	2.8
102.09174	1.1
105.06976	0.8
107.04830	0.7
110.97509	1.1
111.04440	1.2
111.91088	0.7
113.05991	5.0
114.09141	2.0
116.07101	1.5
116.98620	3.9
119.91882	0.8
121.06451	0.8
122.09673	1.3
123.04430	0.9
127.03914	0.6
128.98666	1.5
129.05479	0.7
130.04984	47.2
130.08621	51.9
132.10185	0.8
134.99626	1.7
135.04388	1.0
135.09169	1.5
137.06013	2.4
138.09097	2.3
140.03419	0.9
146.99603	1.0
147.03282	1.1
150.09119	20.2
150.96812	0.7
155.04701	0.8
158.04636	0.7
158.99644	1.5
163.02718	1.1
163.03955	1.3
165.00761	0.9
165.04430	1.0
165.09081	0.7
169.08562	3.1
177.00658	1.5
178.98618	0.9
180.10017	0.7
183.15288	0.7
191.02296	1.3
195.11241	0.7
196.09671	18.3
197.13947	2.6
209.03268	1.5
213.05481	4.3
213.12543	1.1
216.70114	0.8
231.06444	1.7
232.89035	0.7
237.02676	1.4
241.11713	1.7
242.10181	7.4
242.14980	3.6
243.13319	1.4
254.28922	0.7
259.03696	4.0
259.06192	3.4
259.12869	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01865	10.7
55.05495	9.4
56.05026	10.5
58.99576	13.2
61.01125	4.1
67.05495	3.3
68.05004	3.2
68.10614	1.5
69.07056	1.8
70.99063	3.4
70.99405	2.3
73.01128	2.1
74.00628	2.7
75.53993	1.5
76.02200	3.8
76.03967	2.4
79.05479	47.8
80.04994	5.8
81.05761	1.4
81.07043	27.5
82.06556	11.5
83.08589	1.9
84.04482	12.6
85.01112	86.8
85.04004	6.3
86.00639	24.9
86.84227	1.4
86.99046	5.1
88.02197	5.6
93.07002	5.6
94.06552	7.8
95.04953	3.4
95.07314	2.2
95.08583	4.5
96.08119	11.9
97.01090	4.3
97.06512	8.5
97.08909	7.4
98.09676	29.9
100.02162	1.9
105.07000	6.1
107.07291	2.5
108.08092	5.9
109.08892	2.6
110.09687	12.7
111.02679	1.8
112.03946	12.6
113.04207	100.0
116.01653	18.5
122.09660	14.0
123.10394	3.1
130.04979	38.9
131.04509	3.4
139.05739	6.5
143.02771	4.1
144.01149	3.5
145.06100	2.0
156.08412	73.1
156.10185	34.3
161.02364	2.7
162.02213	6.9
163.03876	4.2
173.02318	5.0
177.03256	10.0
189.03207	9.5
215.06964	2.4
216.07098	1.6
242.08440	21.4
259.11108	97.1
260.11493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
57.03420	1.4
69.07056	1.1
69.98544	6.1
70.06577	2.4
70.40454	1.0
82.88709	0.9
84.08146	2.6
85.14331	0.9
93.40806	0.9
97.02860	2.0
97.73672	1.0
98.21373	1.0
100.02153	2.1
129.10139	1.6
143.08127	1.5
213.05252	1.1
231.06348	1.5
259.04199	100.0
259.16544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.096
Annotation	Yangonin
Peak:m/z	Relative Intensity
52.57187	0.1
55.01880	0.1
64.69183	0.1
68.68500	0.1
69.07030	0.2
71.24442	0.3
79.05485	0.2
83.01330	2.4
87.86354	0.1
91.05445	0.4
97.06514	0.4
105.06984	0.2
117.06993	0.2
119.08578	0.5
121.10137	0.2
129.06979	0.4
135.04395	0.2
142.07753	0.4
143.08508	0.3
145.06487	0.2
147.08026	0.6
152.06154	0.4
157.06429	0.3
157.10069	0.4
159.08052	0.2
163.03857	0.2
167.08601	0.3
169.06480	0.1
169.10097	0.2
170.07259	0.4
171.08083	0.9
173.02303	0.3
173.05923	0.3
175.07516	4.0
175.11218	0.1
176.07935	0.2
181.06439	0.1
184.05222	0.2
185.09608	1.0
187.11179	0.2
188.08286	0.5
189.05402	0.2
189.09096	0.2
195.08049	1.2
198.06717	0.9
199.07510	9.2
200.07892	0.2
201.05438	0.6
203.06990	6.2
203.10672	0.2
213.09047	2.1
215.06963	0.5
216.07733	0.2
217.08676	0.2
219.06395	0.2
221.08069	1.8
223.07518	0.4
227.06985	0.3
229.04996	0.5
230.05681	1.1
231.06551	4.2
231.10103	6.1
232.06793	0.2
241.08559	6.9
241.19383	0.2
242.09193	0.6
243.06439	1.7
244.07271	16.4
245.07637	0.6
259.09607	100.0
260.09933	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	259.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96948	5.0
56.96540	9.9
61.01587	4.6
61.88110	4.1
69.03408	7.5
70.06586	10.5
70.54062	17.3
70.54469	11.9
72.08144	8.6
73.02902	7.3
74.14719	4.6
83.44530	5.3
84.08157	5.5
85.02880	14.7
89.84430	4.6
96.04468	42.7
97.02850	11.5
98.97548	6.0
110.97655	5.7
114.09159	34.5
114.10297	5.5
116.98613	8.0
119.01881	25.4
131.01878	6.4
133.03477	10.8
135.09180	40.5
137.10713	17.5
138.09128	69.1
160.09564	5.5
161.02907	10.1
163.02748	5.7
178.04825	28.5
180.11282	17.4
191.03885	13.2
197.13956	100.0
216.09018	4.9
217.01735	5.4
232.25310	5.9
235.06683	7.1
259.02112	20.3
259.04282	18.2
259.06854	5.1
259.12912	10.7
259.16702	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	258.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71296	0.6
52.03745	0.7
53.03958	0.9
56.96557	29.5
57.03419	2.2
61.02908	2.6
69.03425	3.6
70.06575	5.5
70.53924	1.4
70.97736	1.1
70.98107	15.3
71.04980	1.0
72.08161	1.8
73.02906	4.4
74.97582	1.6
81.03400	1.1
82.06580	1.1
84.08135	1.8
85.02901	5.8
85.06533	0.8
88.00735	0.7
88.99146	6.4
94.06549	8.2
96.08112	4.6
97.02878	3.4
98.97569	15.4
100.00763	1.3
101.00878	2.1
101.53951	0.8
104.52792	0.7
107.00184	1.7
110.07146	2.3
110.97549	1.7
112.07575	1.3
112.99173	0.9
114.09158	7.1
116.00246	1.3
116.07068	6.0
116.98602	11.4
119.01876	7.0
120.02002	2.0
121.01595	1.2
124.03963	0.9
126.06633	1.8
127.00677	1.1
127.03922	1.6
127.26625	0.6
128.02269	1.2
128.98564	1.3
130.08591	4.2
131.00102	0.9
131.01878	2.7
133.03439	1.9
134.99663	4.0
137.02905	1.2
138.02206	3.3
140.00325	0.7
140.07050	1.4
142.01785	0.8
143.01828	1.8
145.01709	1.2
145.03468	2.3
145.05017	1.2
146.99619	1.7
149.02838	1.3
150.30902	0.7
152.03827	2.3
154.05380	2.0
155.01839	1.3
155.04633	2.4
156.03348	3.5
158.04843	1.0
158.99641	2.0
161.02942	1.8
164.05151	1.6
165.04187	0.9
167.54408	1.9
168.03455	2.8
168.04677	1.3
170.04866	30.5
170.99640	1.1
172.06436	37.1
173.01300	0.9
173.02921	2.8
174.99117	3.3
175.00749	1.2
176.54852	0.9
177.00690	2.7
177.02676	1.2
177.03983	4.5
178.04903	0.9
185.02930	1.9
186.04434	2.0
188.05937	35.3
189.00740	1.5
190.07495	54.1
191.02292	1.2
191.03934	2.5
193.00179	9.1
196.33055	0.7
197.13997	1.1
198.02682	0.6
198.04349	14.5
198.06024	1.1
200.04372	1.4
203.03926	1.3
204.05409	1.1
206.07005	2.2
206.44376	0.8
208.08553	3.5
211.01306	1.9
212.02412	1.2
212.05888	3.1
212.07672	1.3
212.13960	2.0
213.09033	1.4
216.05412	100.0
217.00111	1.6
217.01971	1.3
217.05756	0.8
219.01787	1.8
221.05121	0.8
230.07019	3.8
233.04951	1.5
234.06461	55.9
235.01231	2.0
235.06674	1.6
239.04953	0.8
239.06973	4.3
240.05618	1.9
245.04959	0.8
249.06306	2.1
252.07495	0.8
257.07956	1.7
258.06302	31.5
258.14560	4.1
259.04294	1.5
276.07455	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	258.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63324	0.9
55.01863	1.5
55.05499	2.3
55.31944	1.1
56.96556	48.5
57.03427	4.0
58.99853	2.7
60.45390	0.9
60.95836	2.4
61.02917	9.1
67.05415	0.8
69.03429	5.1
69.60295	2.8
69.60718	6.5
70.06584	3.6
70.98104	15.7
70.99857	1.3
72.08128	4.2
73.02921	5.1
73.06540	1.5
74.97601	3.1
77.00893	3.0
81.03390	1.1
82.06570	2.2
82.71570	0.9
83.00753	1.3
84.04479	2.3
84.08121	8.3
84.95998	1.8
85.02891	7.8
86.03244	0.9
86.09683	4.5
88.00732	1.1
88.99153	8.5
89.00856	1.7
90.01574	0.9
91.00520	1.1
91.02419	1.5
94.06563	3.3
95.06133	1.0
96.01495	1.4
96.04491	7.4
96.08110	7.4
97.02885	6.0
98.97568	33.6
99.04443	1.2
99.97932	2.4
100.02493	1.1
101.00871	5.7
101.01460	0.7
101.01719	0.8
101.02344	1.1
104.01263	1.1
106.00993	1.7
107.00175	2.9
109.02850	1.7
110.07174	5.3
110.07821	0.9
110.97543	4.4
111.00225	1.3
112.07603	1.1
114.04022	1.7
114.09156	6.4
115.03953	1.3
116.00139	1.3
116.07111	1.2
116.98605	24.1
117.01861	3.8
117.98966	2.4
118.00993	1.5
118.03484	1.3
119.00165	0.9
119.01898	19.2
120.02012	3.6
121.01611	1.9
126.00754	1.5
126.04411	1.1
126.06625	2.4
127.00686	1.5
127.01521	2.4
127.03922	2.1
128.02283	3.6
128.98607	6.7
129.01167	1.3
129.10234	5.8
130.08620	6.7
131.00198	1.0
131.01884	2.9
132.00755	1.9
133.01682	1.9
133.03468	8.9
134.99648	14.9
135.01218	1.3
137.02954	5.1
137.05960	1.1
138.02260	2.3
138.09140	2.0
139.01479	1.5
140.98506	1.3
141.01260	2.6
141.03175	1.0
143.00127	1.3
143.01880	1.7
145.01624	2.1
145.03413	1.6
146.01236	1.5
146.99646	5.5
147.01241	1.0
147.03239	2.8
147.55919	1.3
148.01968	1.6
148.03854	1.3
148.52213	1.2
148.55829	1.5
149.01137	1.5
149.02933	3.0
151.04514	3.0
152.03873	1.7
154.05415	1.1
155.04645	7.4
156.01926	1.2
156.03369	3.2
156.98091	1.4
157.02579	8.2
158.01199	1.3
158.99678	6.3
159.52899	1.4
160.06441	1.2
161.01141	2.6
161.02959	4.1
161.04790	1.2
162.99048	1.4
163.02663	2.1
163.03909	5.5
164.02264	2.1
164.05186	1.6
165.00688	2.8
167.07123	1.3
168.03391	2.7
168.05420	4.0
170.01259	1.0
170.03450	2.3
170.04877	33.1
170.99689	1.1
171.01315	2.4
172.06445	38.9
172.97523	1.2
173.01202	1.1
173.02901	1.6
174.99149	13.0
175.00862	17.5
175.02348	2.0
176.54829	1.7
177.00705	7.2
177.04155	4.4
177.05943	5.8
179.02240	1.3
182.03322	1.8
186.04399	4.4
188.05936	35.5
189.00807	2.0
189.02423	12.8
190.07492	56.6
190.51395	1.9
190.98540	4.4
191.02185	4.2
191.03992	3.0
193.00217	24.1
193.01924	3.7
195.01732	1.7
197.02127	5.2
197.03806	1.6
197.14005	2.2
197.52306	5.2
197.53882	1.3
198.01018	1.9
198.02518	7.4
198.04416	13.2
201.00822	1.2
203.00354	2.3
203.03923	1.1
203.52040	1.1
205.00174	1.9
205.05473	1.4
206.02629	2.5
206.06999	2.5
206.52800	6.5
207.01598	3.2
207.03410	1.6
208.08604	3.7
208.99522	1.6
211.01279	3.8
212.02524	3.2
212.05901	4.7
212.13933	6.2
213.03183	1.2
213.08990	1.6
216.05418	100.0
217.00159	4.6
217.01939	17.8
217.05598	2.4
218.07002	1.1
219.01756	2.4
219.05142	2.5
221.03123	1.9
225.05345	1.3
226.01871	5.9
227.53186	1.2
230.06950	3.8
231.03430	1.3
233.03105	1.8
234.06470	59.6
235.00931	9.0
235.03252	9.2
237.02769	1.5
237.07912	1.1
239.07004	3.3
240.03606	1.4
240.20676	1.6
241.03038	1.1
242.03535	1.4
248.56796	1.3
249.06267	1.7
252.07596	1.4
253.02391	2.1
257.08081	1.4
258.02292	2.3
258.06497	40.1
258.14432	9.8
258.99841	1.8
259.04291	6.4
259.06589	1.4
275.97836	3.3
276.07541	15.5
277.00702	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01840	2.5
55.05505	6.1
57.03423	1.4
57.07051	3.7
65.03912	1.6
65.82082	1.0
67.05497	10.2
67.66077	1.1
68.74781	1.0
69.03419	1.7
69.07043	6.9
70.91439	3.2
71.04968	3.8
71.08619	1.0
72.08118	2.3
72.22678	1.0
73.29611	1.0
77.52326	1.2
79.05479	9.4
81.07047	10.3
83.04979	3.0
83.08609	2.7
85.06527	3.4
88.07603	1.7
90.09174	1.8
91.05460	14.2
93.03574	1.0
93.07030	21.2
95.04950	7.2
95.08590	12.6
97.06474	2.5
103.05445	2.3
105.07020	29.1
107.08585	20.5
109.06509	8.3
109.10132	12.0
111.08070	2.9
115.05457	1.5
117.07005	10.9
119.08562	22.9
121.10127	93.9
122.10438	2.1
123.08064	5.5
123.11700	2.6
128.05293	1.2
128.06221	3.4
129.06989	5.0
131.08554	14.5
133.10127	11.0
135.08031	34.4
135.11655	3.5
137.09573	7.9
141.06990	2.4
142.07730	5.1
142.10350	1.4
143.08533	19.3
144.09280	2.0
145.06409	1.4
145.10104	22.9
146.45947	1.1
147.08005	2.3
147.11649	4.9
149.09581	6.2
150.28996	1.3
151.11089	1.9
155.08517	5.0
156.09343	2.8
157.10109	20.1
158.10855	3.0
159.07968	1.8
159.11636	13.0
161.09557	1.9
161.13222	2.8
163.11139	4.6
166.22948	1.3
168.09314	1.5
169.10136	11.4
171.11646	11.0
173.09631	1.6
173.13229	18.6
175.11165	2.0
175.14799	1.4
177.12729	3.4
182.10875	2.0
183.11598	8.9
184.12375	1.8
185.13257	2.7
187.11171	3.0
187.14793	3.2
197.13219	9.9
199.14787	36.6
201.12715	7.1
211.14767	2.8
213.16394	10.6
214.17137	2.0
215.14253	3.2
215.17909	3.9
229.19444	1.2
239.17938	14.6
257.18973	100.0
257.22345	2.9
257.26572	10.9
258.19272	2.7
258.27878	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	257.1895
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.00129	0.9
55.01859	1.2
55.05507	4.4
57.07051	1.6
67.05482	5.3
69.03408	1.7
69.07049	4.1
71.04963	4.4
71.19329	2.4
72.08144	1.5
74.09820	0.9
74.73003	0.8
79.05493	8.2
81.07037	6.1
83.04964	4.5
83.08600	1.6
85.06526	3.0
91.05449	9.1
93.07024	19.4
95.04953	5.8
95.08595	12.0
97.06512	1.3
99.08083	1.3
100.19080	0.9
105.07008	23.5
107.08579	13.0
109.06491	7.1
109.10139	8.6
111.04406	1.2
111.08047	3.7
115.05389	1.1
117.07018	5.4
119.08553	21.6
121.06524	1.1
121.10119	66.4
123.08034	4.5
123.11678	2.7
125.09599	1.0
128.06209	2.5
129.07022	4.6
130.07738	1.6
131.08543	9.9
133.10097	11.0
135.08038	22.7
135.11630	4.3
137.09576	6.2
137.10474	1.1
141.07008	1.0
142.07742	3.5
143.08542	16.5
144.09329	2.7
145.10097	15.2
147.11667	4.2
149.09601	3.2
151.11171	1.6
155.08531	4.3
156.08076	0.9
156.09244	4.3
157.10092	21.2
158.10873	3.0
159.11661	18.2
161.09579	1.6
161.13222	2.6
163.11122	5.0
167.08498	1.5
168.09297	1.8
169.10104	9.2
170.10849	1.2
171.11644	10.9
173.09592	2.3
173.13225	22.6
174.13988	2.1
175.11182	2.1
175.14795	1.9
177.12741	1.2
181.10045	1.1
182.10905	1.3
183.11659	8.9
184.12396	3.1
185.13258	2.7
187.11130	5.7
187.14752	4.9
189.12759	2.7
195.11623	1.7
197.13287	7.2
199.14780	32.8
201.12704	7.7
211.14803	1.2
213.16313	12.2
214.17038	2.6
215.14296	3.1
215.17863	7.7
216.08371	0.9
224.15549	1.6
239.17889	15.7
257.18961	100.0
257.26611	3.4
258.19305	4.1
258.27933	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	257.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31745	0.4
55.05500	1.1
67.05475	1.0
70.06580	46.1
71.78483	0.8
72.08141	30.0
75.92497	0.6
81.07046	0.7
84.04471	1.3
84.08119	0.7
91.05474	0.6
95.04956	0.9
95.08607	0.5
98.67958	0.5
105.07033	0.9
109.02850	1.2
114.09152	20.0
116.07072	100.0
117.07487	0.6
117.24984	0.5
120.06989	3.6
126.05507	2.9
137.05914	0.7
140.10675	0.6
142.08630	4.5
165.09084	0.5
173.09598	0.6
180.06529	1.8
195.59119	0.6
197.09615	0.7
197.12813	0.5
200.04619	0.6
211.07581	0.6
214.88202	0.5
229.08617	1.0
257.08014	1.6
257.18954	0.7
258.00623	0.5
264.32544	0.5
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
55.01866	2.6
57.03427	4.2
59.04974	0.3
61.02934	1.2
69.03416	2.3
71.01340	1.2
71.78081	0.3
73.02905	3.0
80.05000	1.0
83.06104	0.3
84.08097	0.3
85.02892	3.2
86.06041	0.3
86.72430	0.2
87.04449	0.7
96.04491	0.7
96.08094	0.3
97.02869	1.6
97.35346	0.2
98.97548	0.2
103.03920	0.7
110.07153	0.3
114.05508	0.6
114.09151	2.2
115.03905	1.7
119.01886	0.4
123.05538	2.0
124.03932	100.0
125.04267	0.7
126.14644	0.2
127.03939	0.3
127.05041	0.2
128.49939	0.2
129.01811	0.2
130.08638	0.6
131.01883	0.2
133.04953	5.0
138.05510	0.4
155.08153	1.6
158.45763	0.2
161.02968	0.3
173.02930	0.3
202.07581	0.2
256.08142	1.3
256.12900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.1
55.05502	2.8
56.96558	49.6
57.01829	1.0
57.03429	7.5
59.04995	1.0
61.02919	20.6
67.05462	1.3
68.65434	0.9
68.99768	1.7
69.03404	4.3
69.07049	1.1
69.96860	1.8
69.97265	5.2
70.06574	3.5
70.98114	10.5
71.01331	1.8
71.04970	1.6
71.95262	3.5
72.08144	3.2
73.02915	7.5
74.97598	1.2
75.04469	1.9
77.00826	1.0
77.21296	1.0
81.03401	2.1
82.78665	1.0
83.00784	1.4
84.01563	1.9
84.08122	4.6
84.96019	3.0
85.02897	11.7
85.67581	0.9
86.09700	6.1
87.04486	1.1
88.99141	6.0
89.00765	2.2
90.28051	1.0
91.00528	1.0
96.04478	1.0
97.02846	5.0
98.01280	2.6
98.97571	100.0
99.04414	1.5
99.97912	1.2
100.27876	0.9
101.00874	6.5
101.02359	3.0
101.99730	1.1
104.01276	2.4
105.00244	1.4
106.01018	4.3
109.00503	2.3
110.07108	1.9
110.97549	5.2
111.00213	5.2
112.01003	1.4
112.99104	0.9
113.01730	1.2
114.09149	3.6
115.01545	2.6
115.02396	1.5
116.98610	84.0
117.01842	9.9
118.01008	9.7
118.02200	1.8
119.01900	26.4
120.00742	5.9
120.02012	1.1
120.50961	1.2
121.01614	3.1
123.00140	1.8
123.02006	1.1
125.07111	1.7
125.94373	1.0
126.00772	3.9
127.01521	14.8
127.03896	2.2
127.51687	2.6
128.98590	9.6
129.00233	1.0
129.01859	1.4
129.10251	1.5
130.01936	1.0
130.08646	6.3
130.93292	1.6
131.00081	2.5
131.01884	2.5
131.09006	1.1
132.00729	4.5
132.10152	1.3
133.01559	7.5
133.03435	1.8
134.99637	40.4
135.01268	3.2
136.02028	2.5
137.02950	5.5
138.00667	1.4
138.05389	1.2
138.99661	1.3
139.01540	3.6
140.00252	2.3
141.01250	6.1
142.02031	3.6
143.01868	3.1
145.01657	2.1
145.03432	1.6
146.00467	4.3
146.03419	1.2
146.99637	12.6
147.01266	2.9
147.05775	3.0
147.55840	2.0
148.00143	1.4
148.02058	7.1
148.03822	5.3
149.06586	1.1
152.00441	4.1
152.07063	2.0
153.00780	4.2
154.00197	4.6
154.50383	2.4
154.96471	1.6
155.00969	2.5
156.01723	6.4
157.02559	30.7
157.04448	2.5
157.52696	1.5
158.01306	1.9
158.99669	2.6
159.01189	1.8
159.05014	1.4
160.00224	3.3
160.02013	1.6
160.50461	1.5
161.01059	5.9
161.02937	2.7
163.02646	1.4
163.04494	1.3
165.00667	6.6
165.02122	1.2
166.00125	1.3
166.03105	3.1
166.50435	2.0
167.01018	3.1
167.07143	1.7
167.51175	1.2
168.01790	2.9
169.00807	5.6
169.02197	1.1
169.50992	1.5
170.01485	1.5
170.04822	2.2
172.06404	3.3
172.94362	3.6
172.97575	10.2
173.01128	2.7
173.02884	1.5
174.99141	2.7
175.00775	3.6
175.02641	1.5
176.01527	4.0
177.00705	2.7
177.04070	1.3
181.00719	4.7
182.01529	2.1
183.02284	1.5
184.01295	1.5
185.02934	2.9
185.06540	1.4
188.01453	4.7
188.06024	2.3
188.09473	1.5
188.97057	1.2
189.00653	2.4
189.02245	1.2
190.01283	12.8
190.07469	4.1
190.95393	7.9
190.98605	18.8
191.02197	3.9
191.98901	2.1
193.00209	4.1
196.01289	5.1
196.05774	1.5
196.51479	6.4
197.02095	46.0
197.03851	5.6
197.52203	4.4
199.01807	4.4
201.52083	1.3
202.01274	2.0
203.02063	3.7
203.03929	3.2
204.01007	1.4
204.02895	1.1
205.00166	4.4
205.01848	4.2
205.03526	1.1
205.51973	5.9
206.02576	49.5
206.10588	1.3
206.52861	4.9
207.01636	1.6
208.52919	1.5
208.96451	2.3
208.99693	4.0
209.01843	1.1
211.01773	8.3
211.06215	1.2
211.51895	1.1
212.02603	4.2
213.02376	4.0
214.95496	1.7
214.98599	1.2
216.05452	7.2
216.09045	2.1
217.00182	1.4
217.53398	4.4
218.98175	1.3
219.01601	2.0
219.03470	2.4
220.02225	2.6
221.03258	1.1
223.01326	4.0
224.55302	2.1
227.03017	6.5
231.03490	4.4
232.02367	1.9
232.06921	1.4
232.96452	8.1
232.99622	4.1
234.06451	6.3
234.10004	8.3
235.01251	1.5
236.03587	1.2
237.02914	1.2
239.06998	1.1
241.02661	1.7
248.03528	6.4
248.05690	0.9
248.53680	1.4
250.97345	4.7
251.00301	1.2
256.96399	8.7
257.01294	2.7
257.03403	2.0
257.08066	1.7
257.11371	1.4
257.15109	2.7
258.06448	2.2
263.00812	2.8
274.97479	65.6
277.02304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.1
53.03931	0.3
55.01863	3.4
55.05500	0.2
55.40739	0.1
56.05023	0.1
56.96290	0.2
56.96555	1.8
57.03428	6.7
57.07066	0.1
58.99835	0.2
59.04985	1.4
61.02916	3.4
65.25139	0.1
67.05489	0.2
67.29434	0.1
69.03419	3.5
69.07058	0.3
69.53999	1.0
69.54415	0.2
70.03737	0.1
70.06574	0.7
70.98098	0.3
71.01343	1.7
71.04977	0.7
72.04486	0.3
72.08150	0.3
73.02904	4.1
75.04456	0.3
77.00912	0.1
78.03447	0.1
79.04208	0.2
80.05001	1.3
81.03389	0.7
82.01430	0.1
83.01328	0.2
83.02921	0.1
83.06100	0.2
84.04508	0.1
84.08140	1.4
84.96019	0.2
85.02892	7.3
85.06527	0.3
86.03217	0.2
86.06047	0.3
86.09678	0.4
87.04456	1.5
89.02381	0.5
91.03957	0.3
95.01343	0.2
96.04478	0.9
96.08116	0.3
97.02875	3.0
97.07642	0.1
98.21457	0.2
98.97557	1.2
99.04436	0.5
100.02459	0.7
100.99159	0.1
101.00850	0.4
101.02358	2.3
102.04247	0.2
103.02406	0.1
103.03954	0.8
106.02905	0.2
109.02858	0.4
109.07610	0.1
110.01257	0.2
110.06041	0.6
110.07134	0.8
110.97531	0.4
111.00827	0.3
111.02854	0.1
112.99164	0.1
113.00867	0.1
113.02365	0.3
114.05515	0.5
114.08343	0.1
114.09148	3.1
115.02490	0.8
115.03915	5.2
116.07056	0.4
116.98598	1.0
117.03940	0.2
118.03551	0.2
119.01915	1.9
119.03362	0.3
119.27025	0.1
120.00819	0.1
120.01969	0.2
123.04675	0.2
123.05527	1.7
124.03934	100.0
125.04278	0.8
127.01516	0.1
127.02434	0.2
127.03894	1.3
127.04913	0.2
128.07068	0.1
128.98595	0.6
129.01819	3.4
130.08621	1.1
131.00160	0.3
131.01895	0.7
131.05521	0.4
133.01532	0.1
133.03447	0.9
133.04942	5.1
134.99635	0.3
135.03053	0.2
135.05026	0.2
137.02940	0.4
138.05446	0.4
141.01161	0.2
142.96532	0.3
143.00148	0.2
143.01869	0.7
143.03383	1.7
145.01631	0.2
145.03484	0.9
145.04910	0.8
145.99963	0.1
146.05017	0.1
146.08112	0.6
146.99619	0.6
147.01329	0.1
147.02922	0.2
147.04968	0.2
149.01184	0.1
149.02892	0.2
149.06560	0.4
150.01810	0.3
153.05763	2.7
153.55859	0.5
155.01820	0.3
155.08145	1.4
156.07713	0.2
157.01311	2.2
157.03439	0.6
158.99661	0.4
159.05067	0.2
160.02744	0.2
160.04704	0.7
160.09575	0.2
161.01212	0.2
161.02942	1.2
161.04440	2.8
161.06546	0.8
162.06322	0.9
162.56442	0.3
163.02742	0.3
163.04445	0.8
163.05843	0.2
165.00830	0.2
165.05995	0.1
166.03464	0.2
167.02028	0.1
168.05054	0.3
168.06441	0.1
169.05278	0.4
170.99689	0.2
171.01350	0.4
171.02872	1.0
172.97546	0.2
173.01346	0.2
173.02927	0.6
173.57094	0.3
174.55185	0.5
174.99181	0.2
175.02382	0.2
175.04356	0.3
175.05368	0.2
175.55835	0.1
176.09206	0.3
177.00778	0.3
177.02347	0.2
177.04124	0.1
178.04926	0.2
179.07582	0.3
182.03290	0.2
183.55763	0.3
184.04648	0.4
185.02931	0.4
185.06586	0.2
186.06093	0.2
187.00885	0.2
187.04507	0.2
188.07524	0.1
188.97076	0.3
189.00832	0.3
189.02437	0.7
189.03906	8.3
190.98643	0.6
191.02267	0.2
191.03848	0.2
193.00198	0.2
194.02937	0.3
196.08003	0.1
198.04526	0.2
199.04393	0.1
201.00604	0.2
201.06058	0.1
203.02324	0.1
203.03989	0.2
203.05498	2.4
203.07430	0.2
204.05444	0.2
205.00159	0.2
205.01895	0.1
206.08612	0.1
206.98033	0.2
207.01685	0.3
207.03386	0.2
207.05135	0.2
212.04054	0.8
214.05650	0.1
214.09312	0.2
215.00336	0.3
215.04031	0.2
215.07687	0.2
219.01682	0.3
220.04387	0.1
221.06648	0.9
224.07803	0.2
228.08980	0.2
230.05249	0.2
232.99557	0.3
233.01530	0.8
233.05110	0.2
235.02913	0.2
237.02824	0.2
238.01985	0.2
244.05333	0.2
245.05103	0.4
246.06589	0.2
251.00537	0.3
251.02589	1.7
251.04732	0.1
256.02997	2.7
256.08145	0.9
256.10147	0.3
256.12823	0.6
256.15530	0.5
257.05554	0.2
259.06827	0.2
261.02594	0.2
263.00732	0.2
274.04071	1.4
277.07669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.195
Annotation	9-Hydroxy-10,12-pentadecadienoic acid
Peak:m/z	Relative Intensity
53.03929	3.3
54.18248	2.0
55.01851	2.0
55.05267	3.1
55.05503	36.9
57.03417	6.9
57.07066	14.6
59.04982	3.0
65.02309	1.5
65.03931	2.0
67.05497	22.8
69.03401	4.9
69.07056	28.7
71.04969	6.2
71.08604	2.8
71.79187	2.5
78.06609	1.8
79.05487	19.7
81.03403	3.3
81.07043	68.1
83.04965	11.1
83.08154	2.9
83.08612	34.2
85.02862	2.7
85.06516	13.0
85.10161	1.9
85.19756	1.8
88.37315	1.7
91.05452	10.4
93.07028	54.1
95.04951	5.1
95.08593	52.4
97.02847	3.0
97.06517	8.8
97.10147	33.9
98.98459	24.0
99.04472	2.5
99.08049	6.3
105.07004	17.1
107.04918	2.7
107.08572	75.9
109.06523	7.0
109.10133	38.7
111.04407	7.1
111.08064	10.3
111.11709	2.5
113.09615	8.3
115.11185	2.2
117.07014	3.0
119.08558	20.6
121.06503	2.7
121.10123	80.3
122.10465	2.0
123.08015	5.9
123.11678	33.7
125.05956	2.3
125.09683	4.0
127.03883	5.8
127.07540	5.1
129.06978	2.0
131.08549	6.0
133.10123	11.1
135.08084	2.9
135.11659	38.4
137.09489	2.3
137.13214	4.2
139.07529	19.8
143.08519	5.7
145.10117	13.1
147.11636	4.2
147.46844	2.0
149.09599	6.7
149.13232	7.4
151.11101	2.2
153.09088	23.5
153.12727	2.3
155.10632	3.6
157.10092	5.8
159.11673	9.5
161.13222	20.6
163.11153	6.3
163.14772	2.3
167.10649	12.9
167.14305	1.7
170.10779	2.1
171.11644	5.8
173.13280	2.4
175.14816	18.7
177.16356	100.0
178.16768	2.8
179.14311	3.0
181.12193	23.1
185.13255	3.1
191.17914	18.8
195.11650	1.9
195.13730	3.9
195.17419	5.7
197.13165	2.7
199.14844	2.9
201.16324	17.5
211.14816	2.5
219.13844	2.1
219.17397	35.5
237.18437	56.5
255.15465	2.9
255.17212	3.3
255.19527	16.1
255.21240	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	255.1951
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03941	3.1
55.01863	4.4
55.05503	21.9
57.03436	14.8
57.07058	13.0
59.04995	3.6
61.02910	2.4
67.05495	41.5
68.32056	1.7
69.03424	3.1
69.07059	25.5
70.06567	8.1
70.49946	1.8
70.84953	3.0
71.04984	12.9
71.08609	3.7
79.05072	2.5
79.05482	29.4
81.03394	6.3
81.07042	72.7
83.04965	14.2
83.08615	19.0
85.02879	3.5
85.06509	12.0
85.40313	1.8
88.07603	11.8
91.05474	18.1
93.07031	52.4
95.04961	5.8
95.08592	67.2
97.06522	12.3
97.10146	10.2
97.31698	1.7
98.98466	10.3
99.04439	49.1
99.08084	2.8
101.05967	2.6
102.09162	11.8
105.07011	20.0
107.08574	50.5
108.08909	2.3
109.06485	5.2
109.10139	47.3
111.04431	5.4
111.08069	7.0
111.94783	2.0
117.05453	2.5
117.07018	4.0
119.08552	31.6
121.10126	55.4
123.08067	3.4
123.11689	54.2
125.09600	6.8
127.07528	6.8
127.11183	2.5
131.08554	3.8
133.10095	12.6
135.08023	4.5
135.11676	42.7
137.09589	4.5
137.13229	2.4
139.07523	2.5
143.08594	3.4
145.10114	18.4
147.11696	3.0
149.09592	2.5
149.13237	6.3
153.09024	2.7
153.12781	2.0
157.10098	3.2
159.11703	13.4
161.13234	27.8
163.07599	2.2
163.11122	12.2
167.10667	3.5
169.12222	2.6
173.13240	4.3
175.14775	11.8
177.12708	3.1
177.16362	46.1
179.14304	9.3
181.12180	17.6
185.13213	3.2
191.17978	6.1
201.16348	30.5
219.17438	36.5
237.18446	59.6
238.18887	2.1
255.15750	24.9
255.21478	14.1
256.26331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1952
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
50.98800	2.3
51.54276	2.4
55.05498	22.4
57.03429	4.5
57.07074	9.9
67.05495	35.2
69.07063	28.7
69.91799	2.6
70.92024	4.4
70.92365	5.2
71.04978	15.2
73.06562	3.1
76.75584	2.6
79.05486	18.6
80.09435	2.6
81.03386	5.6
81.07047	92.9
83.04982	8.7
83.08608	28.0
85.02907	3.5
85.06526	16.6
88.07602	3.1
91.05456	16.8
92.00144	2.3
93.07025	48.6
95.04932	2.7
95.08592	100.0
97.06514	9.0
97.10165	9.1
98.98455	24.3
99.04442	74.8
101.06007	3.2
102.09154	3.0
105.07030	23.1
107.08576	52.7
109.06505	9.4
109.10143	78.9
109.10877	5.6
111.04417	4.6
111.08070	9.3
111.11713	2.6
113.09662	4.4
117.05490	3.4
117.07016	4.9
119.08562	42.6
121.10123	78.0
123.08077	6.9
123.11692	76.7
125.09628	9.0
127.07510	10.2
131.08521	6.8
133.10109	19.4
135.08023	4.2
135.11661	16.1
137.09569	3.6
139.11191	2.9
141.09015	2.6
141.18748	2.6
143.08615	3.5
145.10101	19.5
147.11639	4.7
149.09619	3.1
149.13249	4.8
153.09090	4.8
157.10161	5.0
159.11685	29.8
161.13252	37.2
163.11168	10.4
167.10669	5.6
169.12177	3.5
173.13203	3.7
175.14799	20.0
177.12744	5.1
177.16353	73.1
179.14320	11.1
181.12234	13.1
185.13164	2.6
191.17928	6.0
195.13838	4.7
197.13208	3.8
199.14899	3.1
201.16365	44.3
219.17422	43.6
237.18472	88.0
237.22171	3.7
255.06528	13.7
255.17258	6.0
255.21095	13.9
256.26251	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	255.195
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
55.01848	5.4
55.05504	35.3
55.11332	2.5
57.03425	3.2
57.07051	11.5
59.04972	3.5
67.05499	25.4
69.03407	7.5
69.07060	32.1
70.97884	5.3
71.04972	10.9
71.08624	4.7
79.05475	19.5
81.03389	7.6
81.06591	4.7
81.07043	60.7
83.04948	10.5
83.08611	28.9
85.02901	3.3
85.06528	53.2
85.10191	3.2
91.05446	15.6
93.07024	52.6
95.04945	6.5
95.08592	58.1
97.02841	4.8
97.06496	9.2
97.10152	27.4
98.98448	32.3
99.08065	5.8
99.21509	3.0
101.74641	3.0
105.07019	39.1
107.08576	54.2
107.09241	5.6
109.02819	3.4
109.06488	8.7
109.10133	42.5
111.04414	9.2
111.08060	10.5
113.09621	9.2
115.11151	3.9
117.06976	7.1
119.08563	46.8
121.06509	5.7
121.10124	59.8
123.08044	6.1
123.11694	23.7
125.09605	11.1
126.69376	2.6
127.03883	3.5
131.08521	14.5
132.36511	3.5
133.10100	19.7
135.08025	6.9
135.11668	27.0
137.13225	4.3
139.07513	14.4
139.11163	3.7
143.08511	4.4
145.10107	21.3
147.11653	4.6
149.09602	6.9
149.13219	11.7
153.09125	15.0
153.12733	4.0
155.08447	4.0
157.10075	10.4
159.11665	83.2
161.13239	52.7
163.11174	6.5
167.10719	6.3
169.09984	5.6
171.11630	4.0
173.13202	6.3
175.14825	15.8
177.12701	9.7
177.16347	63.4
181.12175	12.1
191.14299	8.6
191.17926	11.9
195.08102	3.4
195.13718	9.9
198.43381	3.0
199.15030	3.3
201.16353	70.0
202.16692	3.9
213.12659	3.8
219.13963	5.8
219.17407	100.0
219.20833	4.6
220.17776	4.3
223.07599	4.5
237.14796	10.3
237.18465	42.8
237.22116	3.9
238.18655	3.5
242.81639	3.1
255.10184	7.1
255.13640	6.9
255.17638	13.5
255.21033	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	255.1586
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03938	3.9
54.37872	2.3
55.01867	6.3
55.05504	19.0
57.03429	30.4
57.07067	6.4
59.04980	3.5
61.26307	2.3
61.26598	2.8
67.05492	57.8
69.03413	9.9
69.07051	24.8
71.01342	3.4
71.04968	8.9
71.08596	3.5
71.79779	5.2
73.02901	3.1
79.05482	38.8
80.24418	2.8
81.03387	9.6
81.07048	43.5
83.04568	3.3
83.04971	36.0
83.08605	7.3
84.05319	2.9
85.02876	4.3
85.06509	8.6
91.05457	28.1
93.07032	66.9
95.04935	8.6
95.08602	25.1
95.43722	3.0
97.06526	15.1
97.10133	12.7
98.98462	33.1
99.04443	3.5
100.98846	3.2
105.07032	20.0
107.04914	6.5
107.08579	61.9
109.06495	10.1
109.10120	20.0
111.04429	12.5
111.08069	6.1
117.06994	9.4
119.08550	22.9
121.06505	5.5
121.10124	28.9
123.11691	5.1
125.09605	4.6
127.03880	3.6
129.06984	3.4
130.05009	3.6
131.08546	14.5
133.10117	18.6
135.08022	6.4
135.11674	70.4
137.09535	2.9
139.07520	6.8
143.08530	8.6
144.09346	2.7
145.10100	17.7
147.11652	4.9
149.09587	11.0
149.13246	22.5
149.27301	2.7
153.05397	3.3
155.08479	3.1
157.10097	11.1
158.10966	4.3
159.08009	2.8
159.11624	7.3
163.07515	5.6
163.11151	10.2
163.14810	4.4
171.11668	7.5
171.42603	2.7
173.13237	20.6
175.14847	8.8
177.12750	5.5
181.12224	11.2
183.11658	3.2
185.13208	4.2
191.14227	18.3
193.12234	3.7
193.15732	4.7
195.11830	4.4
195.13765	53.2
197.13182	4.3
199.14842	6.5
209.15376	6.7
213.16315	3.5
219.13770	27.9
219.20987	3.0
237.14818	100.0
237.18456	5.6
255.13213	3.6
255.13699	2.6
255.15617	49.5
255.20981	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	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01860	2.8
55.05500	0.4
56.96080	0.3
56.96558	2.5
57.03432	5.7
57.83089	0.3
58.99854	0.5
59.05001	0.4
60.27702	0.3
61.02919	3.6
69.03423	3.1
69.90652	1.6
70.06584	0.5
71.01337	1.1
73.02908	4.0
77.00885	0.6
78.03430	1.2
80.04998	2.1
81.03408	0.8
84.08123	1.3
84.96019	0.5
85.02892	5.4
87.04453	1.0
96.04469	0.9
97.02881	2.9
98.20721	0.5
98.97556	1.3
99.04449	0.4
100.02489	0.6
101.00857	0.8
101.02344	0.4
103.02440	0.3
103.03888	0.6
106.02904	6.0
109.02849	0.5
110.07138	1.6
110.97520	0.4
113.02407	0.5
114.09131	1.0
115.02411	1.0
115.03902	2.4
116.98630	0.6
118.03500	0.5
119.01894	2.0
121.01589	0.3
123.05536	100.0
124.03933	15.3
127.03902	1.0
127.79691	0.3
128.98595	0.6
130.08589	0.8
130.53699	0.3
131.01883	0.9
132.05009	0.4
133.03432	1.6
133.04956	3.9
134.99699	0.3
141.03951	0.3
143.01881	1.1
143.03348	0.3
144.99774	2.4
145.03421	1.2
145.04947	0.5
146.08090	0.8
146.99634	0.9
149.02934	0.5
150.01859	0.5
153.03809	0.3
155.01888	0.6
156.07626	0.5
157.01389	0.3
157.03502	0.4
158.99550	0.4
159.01337	0.4
160.09669	0.7
161.02950	1.2
162.03181	0.3
163.00839	0.4
163.04488	0.6
165.00702	0.3
171.01369	0.6
172.99277	0.7
173.02957	1.0
174.04501	0.7
174.55162	0.5
174.99133	0.4
177.00847	0.3
177.02415	0.7
183.04997	0.7
185.02931	0.8
187.00795	0.3
188.97018	0.4
189.00838	0.3
189.02425	0.7
189.03819	0.5
190.98610	0.8
191.00301	0.5
191.02222	0.3
197.02940	0.5
203.04054	0.4
205.00116	0.4
205.01848	0.8
207.03505	0.4
208.99702	0.7
212.04161	0.4
215.04031	0.5
227.04010	0.4
227.08678	0.6
233.01434	1.3
243.05321	0.6
245.05031	1.6
251.02620	1.9
255.06331	1.9
255.08578	0.4
256.03027	2.0
257.05322	0.3
273.09518	0.8
274.04050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
54.23741	0.4
55.01857	3.0
56.96547	2.4
57.03432	4.6
60.96811	0.4
61.02918	2.9
61.77199	0.5
69.03427	2.7
71.01334	1.1
71.14697	1.2
73.02917	3.5
78.03445	0.8
80.05000	1.7
81.03419	0.5
84.08110	0.5
85.02896	5.5
87.04469	0.7
95.08570	0.5
96.04462	0.8
97.02885	1.9
98.97562	1.1
98.98444	0.7
100.02456	0.7
106.02902	6.5
110.07159	1.5
114.09142	1.2
115.02425	1.2
115.03910	1.5
115.36753	0.4
116.98634	0.6
119.01883	2.4
123.05535	100.0
124.03925	7.7
124.05901	1.1
127.03942	1.1
130.08568	0.7
131.01872	1.0
133.03485	1.3
133.04961	3.0
137.02908	0.6
143.01877	1.1
144.99791	2.7
145.03471	1.0
155.01917	0.7
159.01389	0.6
161.02936	1.2
172.99333	0.7
173.02963	0.7
175.04521	0.5
177.02441	0.9
181.07375	0.4
183.05110	0.6
187.00868	0.6
188.97079	0.6
189.02434	0.7
189.03978	0.6
190.98686	0.7
195.03337	0.5
205.01895	1.3
212.03951	0.7
219.01741	0.5
221.05052	0.5
223.03047	0.5
233.01421	1.5
245.04951	1.3
251.02486	3.6
255.06271	3.4
255.08961	0.6
255.14424	0.5
256.02982	4.4
274.04001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38231	0.4
55.01861	2.3
55.05501	0.7
56.96561	3.6
57.03194	0.5
57.03434	5.8
58.99847	0.5
61.02912	3.6
66.59422	0.4
69.03426	3.1
70.01395	2.6
70.06577	1.8
70.98100	0.5
71.01336	1.4
73.02916	3.8
78.03432	0.5
80.05029	2.5
81.03385	0.8
84.08122	1.2
84.96063	0.5
85.02895	5.9
86.09660	0.5
87.04460	0.9
96.04452	0.5
96.08126	1.4
96.92808	0.4
97.02886	3.1
98.20786	0.6
98.97563	4.6
99.04454	0.6
101.00847	0.5
103.03931	1.0
106.02892	5.1
110.07143	1.7
110.97565	1.0
112.07616	0.9
113.28239	0.5
114.09154	4.2
115.03901	1.7
115.09505	0.7
116.98587	3.0
119.01945	2.5
120.00813	0.4
120.72690	0.5
123.05538	100.0
124.03932	13.2
127.03888	1.2
128.98601	1.1
129.02875	0.5
130.08641	3.5
131.01868	1.4
133.03465	0.7
133.04953	3.3
134.99634	0.6
138.05481	0.6
142.11772	0.4
143.01880	1.5
144.99762	0.7
145.03461	1.1
145.04865	0.5
146.99698	1.0
149.02908	0.5
150.01773	0.5
155.01843	0.9
158.99652	0.7
161.02913	2.0
162.99232	0.6
171.01382	0.6
172.97522	0.4
173.02988	1.0
174.03099	0.4
174.04433	1.1
174.55193	2.4
177.00726	0.7
177.02441	0.5
179.48726	0.4
183.05112	0.5
183.55710	1.6
185.02948	1.4
186.04414	1.0
190.03807	0.6
190.98613	0.8
191.04210	0.4
201.07806	0.6
203.03940	0.5
204.05435	1.3
205.01785	0.6
208.99763	1.8
209.08319	1.0
214.03922	2.3
219.01686	0.6
219.08759	0.5
221.05066	0.6
227.04019	0.7
227.09305	0.5
228.05461	0.6
232.04877	2.5
232.10487	0.8
245.05049	1.2
246.57300	0.7
255.06248	3.1
255.09044	3.0
255.14351	0.6
255.16867	0.6
256.03076	0.6
261.02896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05902	6.3
54.18907	5.8
54.28639	5.3
56.96546	15.1
58.33542	5.8
62.78410	6.2
67.39545	5.7
68.25797	5.2
70.30272	5.9
70.60857	21.2
72.14536	5.9
75.63542	7.3
80.62052	5.2
88.92429	5.2
102.91680	6.4
114.09142	15.6
123.05501	16.1
148.84319	6.2
154.81262	5.9
254.04243	100.0
254.08557	11.8
259.91138	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	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25821	0.9
58.27574	1.1
61.02918	3.4
64.90597	1.0
70.97617	3.5
71.01348	4.8
75.04465	10.3
87.04459	4.0
89.02383	2.0
101.30498	1.0
103.03932	15.0
131.03418	5.3
159.02885	46.1
173.29668	1.1
187.02394	2.9
197.98488	1.0
219.04987	100.0
220.05411	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
55.05499	6.3
56.05009	1.7
56.96557	65.1
56.96819	2.0
57.03429	4.0
57.07042	1.4
57.14353	0.9
60.04494	0.9
61.02878	3.4
67.05448	3.3
68.04975	1.4
69.03421	8.3
69.07016	3.7
70.06582	9.8
71.01353	4.9
71.04931	2.9
71.79214	1.6
71.95217	1.9
72.08138	4.1
73.02863	3.9
73.06510	2.5
73.55228	0.9
74.06871	0.8
74.97562	1.4
75.04457	1.6
79.05487	4.2
81.03389	4.6
81.04503	2.0
81.07046	13.2
82.01765	1.0
82.05257	3.1
83.04948	1.5
83.06091	11.2
83.08591	1.1
84.04490	5.2
84.08127	10.7
84.95985	2.3
85.02892	12.7
85.06485	2.8
85.08435	0.9
86.03173	2.8
86.09665	1.5
87.04401	3.0
87.59496	0.8
91.03897	1.0
91.05408	2.8
93.04509	8.2
93.06982	1.2
94.06527	1.7
95.04890	2.8
95.06078	19.5
96.04405	1.5
97.02891	7.5
97.06470	1.7
97.07617	1.9
98.03133	0.8
98.06049	7.5
98.09583	0.8
98.97517	14.0
98.98394	14.7
99.04412	1.7
101.02328	1.1
103.03923	4.9
103.05413	1.0
105.06989	1.0
107.04905	1.4
107.06010	1.5
108.04403	1.1
108.24223	0.8
109.02809	2.3
109.06459	1.7
110.07148	71.0
110.97507	1.6
111.00754	1.1
111.04417	1.7
111.05492	1.9
111.07446	1.7
112.07578	5.4
112.08661	2.5
112.99082	1.3
113.05961	1.9
114.09115	1.8
114.10234	1.5
116.98607	13.9
116.99377	1.4
117.01895	0.9
119.01759	2.7
119.04845	1.4
119.06133	0.8
120.08007	2.7
121.02776	3.0
121.06435	2.0
121.07560	0.9
121.08355	3.1
122.05959	2.2
122.09550	0.9
122.97443	1.5
123.05463	3.4
125.07087	5.0
126.09057	1.2
126.96970	1.2
127.03888	4.2
128.02246	2.0
128.98514	3.7
129.01801	1.2
129.10109	0.9
130.04985	1.5
130.08638	4.6
131.00072	1.6
131.03380	4.0
131.12816	1.8
134.99632	8.1
136.03876	1.2
136.07483	1.3
137.05807	1.7
138.05405	1.9
139.03857	1.5
140.06931	3.8
140.98563	8.3
141.05347	1.1
143.00052	3.0
144.98013	2.2
145.01628	1.2
145.04857	3.5
145.05927	0.8
146.02296	1.0
146.09529	1.1
146.99623	4.7
147.03220	1.4
147.04323	3.5
149.01071	1.1
149.05896	2.2
150.05386	1.3
151.12163	1.0
152.06955	1.2
155.02774	1.1
155.04570	2.1
155.06879	0.8
156.03218	1.6
156.07576	3.2
157.01523	1.2
157.04842	1.3
158.99638	26.9
159.02867	14.7
160.07465	1.0
161.01219	7.9
161.02415	1.5
161.04523	2.3
162.05362	1.4
162.99001	1.4
163.02652	2.3
163.03845	2.2
163.12283	37.6
165.00557	1.0
165.04259	1.0
165.05457	1.0
166.01810	1.0
167.06897	3.1
167.11783	5.9
168.03236	1.0
168.06461	1.9
168.97940	3.8
170.99559	2.3
172.09021	1.2
172.95204	0.9
173.02678	1.3
175.02589	0.9
176.05193	2.0
176.99223	1.5
177.00696	13.5
177.04161	1.0
177.05493	1.2
179.02138	2.5
179.07027	1.3
180.12448	1.9
181.13251	1.9
186.04251	3.5
186.99121	29.4
187.02611	2.5
189.00655	4.4
189.04216	1.2
190.13361	14.2
190.98468	1.3
191.03731	2.0
191.05382	1.8
191.06944	1.0
193.13239	2.8
194.12772	2.8
195.01614	1.4
195.11270	30.9
200.01950	1.1
201.00560	3.0
201.04141	1.1
204.05403	5.0
205.00177	38.5
205.03139	1.3
205.03612	1.9
207.01686	1.1
208.14427	51.2
208.99463	1.9
209.12704	2.0
210.00633	2.0
212.00574	1.5
212.96921	2.9
213.00354	1.4
218.05310	0.9
218.11691	1.3
219.01601	3.5
219.04987	18.5
220.05075	1.3
222.06322	3.1
223.01115	3.1
223.05313	4.6
227.09027	1.2
228.01715	1.8
228.05222	1.9
230.98055	25.8
231.01598	3.5
231.05144	2.6
231.58545	1.9
232.05722	3.3
234.56006	1.5
236.09282	1.1
236.14032	1.0
236.16306	1.1
237.02661	3.4
237.13339	1.1
245.61624	1.8
246.06226	1.4
248.99165	44.3
249.99242	1.0
253.99385	3.0
254.01811	1.0
254.14851	100.0
255.15244	1.1
260.70447	1.0
267.00159	6.2
272.00620	2.8
272.04047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1793
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.23900	1.1
55.01862	1.0
55.05492	4.5
57.03414	1.2
57.07054	4.4
59.04989	1.4
60.30149	0.9
67.05493	7.6
68.55139	1.0
69.03411	2.4
69.07063	8.1
69.30740	1.0
69.52518	8.7
71.04987	5.8
79.05462	4.2
81.03407	1.8
81.07047	17.7
83.04966	1.7
83.08613	4.7
85.02882	3.7
85.06520	3.3
91.05461	6.7
93.07039	11.9
95.04939	2.7
95.08585	17.6
97.06506	3.5
97.10149	2.6
98.21447	2.3
98.98452	100.0
99.04408	1.8
101.05988	1.6
105.07021	15.3
107.08589	9.4
109.02858	1.1
109.06492	4.2
109.10146	10.3
111.08057	2.2
113.09570	1.9
116.99456	3.8
117.07038	1.7
119.08586	13.6
120.32032	1.0
121.06470	1.9
121.10141	9.7
123.08038	2.7
123.11691	5.1
125.09622	1.6
131.08585	5.5
133.06421	1.7
133.10104	19.4
135.08055	1.8
135.11649	5.8
137.09578	3.3
137.13211	2.2
139.07504	1.5
139.11122	1.5
140.01074	1.3
141.06926	1.0
142.07669	1.4
145.10109	3.9
147.08015	2.2
147.11671	8.1
149.13249	5.8
151.11147	3.0
151.14787	2.3
153.09102	1.1
157.10089	5.0
159.11681	4.9
161.09665	2.1
161.13208	2.0
165.09103	2.9
169.10002	1.7
171.11691	1.8
173.13237	4.2
174.99200	2.9
175.11153	3.6
175.13383	2.0
175.14796	28.3
176.98878	2.9
177.12735	3.1
179.10663	1.6
183.11629	1.8
189.12709	1.9
189.16397	13.9
191.14230	1.0
193.12236	1.6
193.15877	14.1
197.11632	2.8
197.13240	1.9
199.14796	4.4
207.13826	1.1
207.17439	9.8
211.14780	1.3
217.15849	17.8
219.70374	1.0
235.13261	2.1
235.16908	32.4
236.17169	1.1
250.26230	1.1
253.12201	1.2
253.15862	2.1
253.17923	4.9
253.19661	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	253.1794
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
52.37519	0.8
53.03932	1.2
55.05495	4.9
57.03421	1.2
57.07059	3.0
59.04707	1.5
59.04990	24.0
59.76602	0.8
62.03249	0.9
65.03964	0.9
67.05495	8.2
69.03415	5.9
69.07054	11.8
71.04961	4.6
71.64125	1.7
73.06558	1.0
79.05478	5.6
81.03387	1.7
81.07044	16.6
83.04965	3.4
83.08626	2.5
85.02900	1.2
85.06532	8.0
91.05469	5.7
93.07017	11.1
95.04951	6.4
95.08589	9.9
97.06528	6.7
97.10129	1.4
98.97802	1.8
98.98450	36.2
99.08072	2.6
105.07003	9.2
107.04934	10.2
107.08571	13.5
109.06503	4.3
109.10139	22.2
109.10867	1.5
111.08054	16.3
113.09638	1.1
115.64745	0.9
117.06997	1.2
119.08564	14.6
121.06497	3.5
121.10131	8.5
123.08045	4.4
123.11689	3.4
125.09607	8.5
127.07530	1.3
127.11155	1.2
131.08539	2.9
133.06458	1.0
133.10115	9.9
135.08046	9.7
135.11700	5.1
137.09578	2.3
139.07489	1.1
139.11160	1.6
143.08540	1.7
145.10126	3.3
147.08028	2.9
147.11649	7.2
149.09622	1.3
149.13261	4.1
149.53641	1.0
151.07509	1.5
151.11198	1.9
153.12776	2.0
156.09395	1.1
157.10103	4.0
159.11687	4.0
161.09576	3.4
161.13251	1.7
163.11127	1.8
165.06982	1.9
165.12749	2.5
169.10115	1.0
171.11667	2.1
173.13280	2.4
174.99266	1.1
175.11108	2.2
175.14774	7.2
177.12720	100.0
178.13133	1.1
179.07056	0.9
179.10698	1.5
189.12685	1.0
189.16370	5.2
191.14323	2.4
193.12231	0.9
193.15889	1.7
195.11729	1.0
197.11710	1.1
199.14801	3.1
207.17474	1.1
217.12456	1.2
217.15862	14.1
217.19353	0.9
223.11284	1.2
235.13292	1.8
235.16896	35.9
238.13541	1.4
253.08563	2.8
253.15817	3.6
253.17941	14.1
253.21692	1.4
253.26376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
54.96193	0.9
55.01856	2.9
55.05507	9.6
55.34315	0.8
56.87381	0.7
56.96299	1.4
56.96558	18.1
57.03431	6.7
60.04496	1.8
61.02919	8.5
68.99793	0.9
69.03418	20.1
69.11729	0.7
70.06566	3.2
71.01334	3.5
71.04975	2.3
71.79043	1.6
71.95229	1.0
72.08145	1.3
73.02917	3.9
73.06546	41.0
81.03418	8.0
81.07066	1.6
84.04476	0.9
84.08133	10.0
84.96014	1.3
85.02894	100.0
86.03187	0.7
86.09693	1.2
87.04447	1.9
91.03957	4.5
91.05439	0.9
95.06122	0.8
95.08583	1.0
97.02882	22.5
98.97565	10.2
98.98446	19.1
99.04421	2.6
101.02387	1.1
103.03898	1.9
103.05428	2.1
109.02864	9.9
110.07175	5.6
112.07575	1.5
114.09162	1.3
115.03894	1.2
116.98615	5.4
116.99336	1.2
119.00548	0.8
119.01860	1.7
119.04950	1.3
120.08090	35.5
126.09122	1.8
127.03889	21.6
128.98546	1.0
130.08643	2.2
131.03410	2.5
134.99597	1.5
136.07533	1.5
137.05936	3.1
140.80653	0.8
140.98581	2.7
143.00089	1.1
145.04935	27.3
146.99588	1.5
147.04419	1.4
155.04622	6.3
156.03505	0.9
157.04942	1.0
158.99640	8.4
159.02861	5.0
159.66028	0.8
161.01233	2.0
163.02722	0.9
163.05983	5.7
163.12256	0.7
164.05167	2.1
177.00642	3.7
186.04254	1.0
186.99113	10.2
191.05568	1.0
195.11223	0.9
205.00182	9.5
206.08841	1.1
208.09546	0.8
208.14586	1.5
210.58055	1.6
219.01773	0.8
219.04919	4.4
223.01167	0.8
229.07286	1.7
230.08771	4.6
230.98090	7.1
231.58580	3.0
235.02911	1.3
237.02760	1.1
244.07808	1.3
248.09816	1.4
248.99181	13.3
253.11998	2.3
253.58173	1.8
254.09189	1.1
254.15062	2.6
267.00229	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03926	1.5
55.01867	4.2
55.05497	14.0
55.39967	1.3
57.07060	6.3
59.04988	3.4
60.57951	1.4
67.05493	27.6
69.03417	3.1
69.07059	15.3
70.43746	2.6
70.44135	5.5
71.04987	9.5
73.29437	1.6
78.42731	1.6
79.05489	17.7
81.03403	1.7
81.07047	85.4
83.04964	6.6
83.08601	7.5
85.02918	1.9
85.06532	72.8
91.05464	14.5
93.07033	43.8
95.04959	6.2
95.08593	39.5
97.02931	1.4
97.06538	9.3
97.10130	2.6
98.20695	1.7
98.98455	88.4
99.04433	20.0
99.08084	4.4
101.06014	7.8
105.07021	25.9
107.08582	34.8
109.06508	24.9
109.10143	54.2
111.08062	5.2
113.69854	1.8
116.99500	2.2
117.05420	2.1
117.06995	3.6
119.07719	3.0
119.08569	59.6
121.06501	5.5
121.10130	100.0
123.08047	11.5
123.11688	4.3
125.09619	2.2
127.07542	50.3
127.11179	6.0
129.53226	1.7
131.08556	8.0
133.10112	32.7
135.08020	6.4
135.11676	19.4
137.09596	14.2
137.13193	3.3
139.07520	2.4
139.11159	13.3
141.09099	2.4
142.07832	2.6
143.08545	4.9
144.09290	2.6
145.10133	3.5
147.07996	3.3
147.11642	11.4
149.13216	4.9
151.11154	4.6
157.10112	13.6
159.10370	1.9
159.11682	34.3
160.37071	1.6
161.09610	5.6
161.13168	2.4
165.09090	3.6
165.12740	2.5
167.10741	2.2
169.10115	2.2
171.11665	3.0
173.13239	9.2
174.99203	3.2
175.11180	16.0
175.14795	28.4
176.98892	2.1
177.12732	13.3
179.10666	9.9
189.12758	3.5
189.16344	5.9
193.15828	3.7
195.13748	2.3
199.14787	28.5
207.17557	1.5
217.15823	31.5
217.19075	1.5
235.16907	60.2
253.14261	21.0
253.17815	12.7
254.24803	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	252.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65171	0.7
57.03416	2.2
57.06838	0.8
57.07071	12.3
59.04979	2.4
62.72229	0.9
67.05495	8.8
69.07053	1.4
70.06578	1.8
71.04974	3.1
71.78803	1.7
72.08138	1.8
79.05489	1.2
81.07035	2.4
84.08115	2.7
85.02875	1.0
85.06537	34.4
86.09697	2.1
87.00816	4.1
91.05453	1.3
95.04958	14.3
96.79395	0.8
97.02836	0.8
98.98454	32.6
103.05447	1.0
105.01842	3.8
107.04934	1.3
109.02860	1.1
110.07111	1.1
113.05991	23.1
116.99488	1.1
120.08080	5.1
121.06487	2.1
123.06774	2.1
131.07027	100.0
132.07333	1.5
136.06160	6.3
137.05911	1.1
138.09041	0.9
141.05338	0.9
174.99199	1.3
181.08383	0.9
189.07536	1.5
205.98785	1.0
206.08128	3.4
208.13359	1.1
217.07057	9.8
234.14897	4.4
235.13141	1.1
252.12517	2.9
252.13829	0.9
252.15997	7.1
252.23228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	Heterophyllol
Peak:m/z	Relative Intensity
50.82188	0.6
51.63238	0.6
53.03939	0.7
55.01862	1.5
55.05499	5.0
55.50626	0.6
57.03436	1.5
57.07065	2.8
59.04984	3.5
67.05491	6.5
69.03403	3.9
69.07056	6.0
70.06608	0.8
70.91895	1.0
70.92206	1.1
71.04977	15.8
72.19022	0.6
74.43510	0.6
79.05463	5.6
81.03394	1.4
81.07037	8.6
83.04977	4.4
83.08601	3.5
85.02901	1.0
85.06536	3.4
91.05475	6.4
93.07034	8.9
95.04959	7.0
95.08589	9.5
97.02871	1.0
97.06528	5.6
98.98450	100.0
99.04427	1.6
105.07014	9.4
107.04949	2.6
107.08572	10.5
109.02826	0.8
109.06490	3.8
109.10148	7.3
111.04419	1.1
111.08051	2.7
113.05988	3.0
113.09657	0.8
115.07580	0.8
116.99471	3.9
117.06985	2.3
119.08565	11.5
121.06462	3.5
121.10127	13.1
123.08055	4.0
123.11677	3.5
125.05981	6.6
125.09576	1.6
128.06226	0.7
129.06880	0.6
131.04878	0.7
131.08525	4.6
133.06435	1.7
133.10112	6.4
135.08023	4.8
135.11670	3.8
137.05945	1.2
137.08577	1.0
137.09596	14.9
139.07506	2.2
140.01030	1.5
143.08572	1.0
144.09377	0.9
145.06453	1.5
145.10104	10.2
147.08028	18.9
147.11661	5.9
149.05951	1.0
149.09589	6.0
149.13203	2.5
151.03857	0.7
151.07516	1.6
151.11156	2.2
151.14833	1.4
153.05415	2.5
153.09070	1.4
155.10667	0.8
157.10098	1.8
159.07983	1.8
159.11641	2.8
161.05977	1.1
161.09639	1.1
161.13168	1.9
163.07475	0.9
163.11153	15.3
163.14790	2.0
165.09088	0.9
165.12611	0.9
167.07039	4.5
167.08273	0.9
167.10634	1.2
171.11662	1.1
173.05965	1.0
173.09641	3.4
173.13301	3.0
174.99229	5.5
175.11147	5.6
177.05444	0.9
177.09012	1.9
177.12671	0.8
177.16408	0.6
179.14288	5.5
181.08575	1.4
181.12163	3.3
187.14734	3.7
189.12703	1.0
190.07817	1.0
191.06958	2.0
191.08528	1.9
191.10649	1.8
191.14287	5.2
193.08546	1.4
193.12210	2.1
194.09366	0.7
195.10054	1.1
197.13130	1.1
201.09061	1.2
201.37428	0.7
205.08485	1.5
205.15874	3.7
207.13708	2.2
215.10690	1.1
215.14305	5.1
215.17755	1.6
219.08022	1.4
220.08562	0.8
221.07753	1.2
233.07979	0.9
233.11627	2.3
233.15332	19.7
233.18796	1.5
233.79382	0.6
234.15131	1.0
236.08026	0.7
251.06934	1.0
251.12006	3.7
251.16328	28.5
251.20033	2.1
252.15947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.5
54.06732	0.5
54.90682	0.6
55.05492	3.9
57.07065	0.7
59.04982	2.6
67.05489	2.0
69.07047	1.3
70.99060	1.9
71.04604	0.7
71.04977	10.4
79.05482	1.3
81.07023	2.6
83.04954	1.0
91.05485	2.7
93.07030	1.9
95.04928	1.0
95.08578	1.0
98.98447	34.1
105.07015	2.3
107.04951	0.6
107.08576	2.2
109.06519	1.0
109.10117	1.0
116.99482	0.9
117.07008	1.0
119.08554	0.9
121.06484	100.0
121.10104	1.2
122.06824	1.6
123.08075	0.9
131.08521	1.6
133.10110	0.9
135.08028	17.4
135.11639	0.9
136.08316	0.6
137.09663	0.7
145.10106	3.5
147.08044	2.0
147.11710	0.8
149.09615	1.6
155.08472	0.8
158.07254	1.7
159.08044	2.0
159.11649	2.2
160.08855	0.7
161.09613	2.2
163.07498	1.8
163.11156	52.6
164.11504	1.7
168.96063	0.5
169.10109	0.9
171.08051	0.8
172.08789	4.9
173.09599	7.8
173.13286	0.7
174.99205	1.7
175.07530	3.5
175.11221	2.7
177.09053	1.9
177.12759	1.2
185.09615	1.4
186.10286	3.2
187.11147	5.6
187.14771	1.1
189.09067	0.7
189.12665	1.3
190.09853	3.2
191.10559	2.6
191.14232	0.8
200.11914	4.5
203.14325	0.9
205.12222	8.4
206.70537	0.5
215.14270	2.3
233.15323	21.5
234.15677	0.9
251.16286	5.7
251.20291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	Hirsutenol C
Peak:m/z	Relative Intensity
53.00302	0.5
54.06732	0.5
54.90682	0.6
55.05492	3.9
57.07065	0.7
59.04982	2.6
67.05489	2.0
69.07047	1.3
70.99060	1.9
71.04604	0.7
71.04977	10.4
79.05482	1.3
81.07023	2.6
83.04954	1.0
91.05485	2.7
93.07030	1.9
95.04928	1.0
95.08578	1.0
98.98447	34.1
105.07015	2.3
107.04951	0.6
107.08576	2.2
109.06519	1.0
109.10117	1.0
116.99482	0.9
117.07008	1.0
119.08554	0.9
121.06484	100.0
121.10104	1.2
122.06824	1.6
123.08075	0.9
131.08521	1.6
133.10110	0.9
135.08028	17.4
135.11639	0.9
136.08316	0.6
137.09663	0.7
145.10106	3.5
147.08044	2.0
147.11710	0.8
149.09615	1.6
155.08472	0.8
158.07254	1.7
159.08044	2.0
159.11649	2.2
160.08855	0.7
161.09613	2.2
163.07498	1.8
163.11156	52.6
164.11504	1.7
168.96063	0.5
169.10109	0.9
171.08051	0.8
172.08789	4.9
173.09599	7.8
173.13286	0.7
174.99205	1.7
175.07530	3.5
175.11221	2.7
177.09053	1.9
177.12759	1.2
185.09615	1.4
186.10286	3.2
187.11147	5.6
187.14771	1.1
189.09067	0.7
189.12665	1.3
190.09853	3.2
191.10559	2.6
191.14232	0.8
200.11914	4.5
203.14325	0.9
205.12222	8.4
206.70537	0.5
215.14270	2.3
233.15323	21.5
234.15677	0.9
251.16286	5.7
251.20291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	(1S,3R,4R)-Calamenene-3,4,7-triol
Peak:m/z	Relative Intensity
51.70876	0.3
53.03941	0.6
55.01870	0.9
55.05510	1.7
57.07066	0.5
59.05001	0.5
67.05500	1.6
68.01695	0.4
69.07056	18.3
70.06583	0.4
71.05006	0.5
71.79554	0.4
71.79907	0.6
79.05491	1.6
81.07043	1.4
83.01344	0.8
83.04971	3.6
83.08609	0.6
85.06577	0.4
85.47728	0.4
91.05488	1.5
93.07021	2.5
95.04987	1.1
95.08604	1.7
97.06510	0.8
97.89967	0.4
98.06030	0.4
98.98450	35.5
103.05477	1.6
105.07037	1.0
107.04949	1.2
107.08577	1.1
109.06551	0.5
109.10146	1.5
111.08081	0.8
111.11684	2.5
116.99489	1.5
117.06982	0.6
119.08565	1.4
121.06485	11.4
121.10133	0.9
125.05966	10.3
125.63341	0.3
131.04916	0.9
131.08510	0.5
133.10060	0.5
135.04407	0.8
135.08047	1.2
137.05949	1.1
139.07506	1.2
141.05435	0.5
145.10098	0.7
149.05957	6.7
149.09529	0.7
151.07573	0.9
153.05443	57.1
154.05774	1.4
159.11768	0.5
163.07549	0.8
163.11153	0.9
167.07011	100.0
168.07335	2.4
169.10179	0.4
173.13223	0.5
173.82686	0.4
174.99181	1.9
177.09050	2.3
181.08606	5.9
187.14720	0.4
189.94313	0.4
191.10678	1.1
195.10138	1.7
233.15421	2.3
251.16356	22.5
252.16441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15569	2.5
65.57439	2.3
65.75568	2.7
70.06583	3.6
71.78023	3.0
71.78376	3.3
72.08148	51.6
72.21803	2.3
84.08125	6.2
94.92999	100.0
96.92812	67.7
109.46092	2.5
112.89572	7.5
114.89307	3.0
121.01635	14.6
150.91982	3.8
163.02696	8.2
176.93478	8.7
184.04654	2.4
188.93561	3.9
191.02174	4.5
198.11256	10.7
206.94557	40.5
208.88362	20.9
208.99576	2.7
209.83202	2.7
215.13956	6.0
216.12320	12.3
216.42731	2.6
233.14879	6.0
250.89461	37.1
250.93495	17.0
251.04295	6.4
251.15990	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	251.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.3
56.96557	7.4
57.03428	4.6
58.99844	2.6
61.02650	0.9
61.02925	12.6
69.03407	3.3
70.54000	2.3
70.98120	1.3
70.99847	1.9
71.04958	1.2
72.08123	1.6
73.02910	3.7
77.00883	2.0
81.03405	1.2
82.01437	11.0
85.02895	8.3
87.04474	0.9
89.00874	1.1
91.02438	2.0
95.01920	0.9
97.02867	4.8
98.01248	0.9
98.97583	4.8
98.98449	17.6
100.02473	51.2
101.00831	1.4
103.02464	0.9
109.02844	1.1
109.03509	0.9
110.07125	1.3
110.97584	0.8
111.00221	1.5
112.69427	0.8
113.02389	1.0
114.09161	1.4
116.98600	2.9
118.03506	27.0
119.01868	5.5
119.03510	1.1
121.01663	1.7
124.95395	0.7
126.98756	5.3
127.03897	2.8
128.98619	1.8
131.01900	2.3
132.00687	1.0
133.03439	4.9
134.99626	1.0
138.05482	6.1
139.04182	1.0
141.01245	3.3
141.51501	1.1
142.96593	1.1
144.99806	27.6
145.03415	1.8
146.99643	3.2
147.01337	1.1
147.04993	1.5
148.02013	1.4
148.03749	1.2
148.04839	4.0
150.00368	1.7
150.01791	2.8
151.04546	1.2
154.04700	0.9
154.98245	2.8
157.02542	6.8
157.04430	2.0
158.99615	1.3
159.01366	0.8
161.01164	0.8
161.02888	0.9
161.05557	7.2
161.55730	1.3
163.00870	4.2
163.02670	0.9
163.04561	0.8
165.00726	1.6
166.03076	1.8
168.01421	16.4
168.35010	0.8
169.55287	1.0
170.06030	3.6
172.99303	36.4
174.99152	2.3
175.00652	1.1
176.93474	1.7
177.00935	1.5
177.02415	6.4
177.99837	3.4
182.01476	1.0
184.01331	1.0
186.02524	1.2
187.00821	4.4
188.97130	1.0
189.00716	1.2
190.98709	1.5
191.00368	26.3
191.02049	2.9
191.03777	1.0
193.00307	1.2
195.03444	1.3
196.00897	100.0
196.66179	0.8
197.01088	2.8
199.01740	1.1
200.04004	0.9
203.02112	1.5
205.00183	1.6
205.01892	7.7
206.02591	1.2
210.02484	2.7
212.02589	1.7
214.01945	48.2
215.02180	1.2
219.02393	4.9
219.07149	1.5
223.01083	1.8
223.02963	1.5
228.03510	53.2
235.02888	1.6
237.02866	1.3
242.03604	1.3
246.04570	10.2
251.05161	4.0
251.11299	3.6
251.13899	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	250.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70416	0.4
55.05490	0.4
57.03423	1.2
61.02916	0.9
67.31300	0.4
69.03414	2.5
69.07051	1.4
70.06589	3.4
70.71510	0.6
70.71864	1.0
71.04997	0.5
72.08127	0.8
72.50176	0.4
73.02940	0.6
78.48870	0.4
79.05529	0.6
81.03393	1.8
81.07045	0.5
84.08163	0.5
85.02377	0.5
85.02893	14.9
88.07616	100.0
97.02887	3.2
97.06512	1.1
98.98456	12.7
99.04452	0.5
109.02884	1.3
116.99533	0.5
124.03967	0.8
127.03913	2.5
136.06165	11.3
143.08678	0.4
144.94142	0.4
145.04962	2.0
147.11043	0.4
161.06006	0.7
163.03879	0.5
164.07132	0.5
174.99159	0.6
177.00583	0.5
177.07819	5.7
177.09210	0.5
189.09140	0.5
206.11736	22.5
250.12894	5.8
250.14609	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	250.1295
Annotation	1-O-ethyl-N-acetyl-beta-D-glucosamine
Peak:m/z	Relative Intensity
52.68937	0.3
57.70913	0.3
59.46357	0.3
67.05481	0.3
68.14487	0.3
69.07050	2.7
70.74973	0.7
70.75359	0.7
73.06551	0.5
79.05485	0.8
94.04023	0.7
97.06518	2.1
98.98451	3.7
103.06727	0.4
104.82166	0.3
119.03519	1.3
136.06158	90.3
137.04538	1.0
137.06525	0.6
148.60062	0.3
152.05629	1.3
174.07712	1.3
184.65207	0.3
203.29343	0.3
206.10318	0.3
225.55000	0.3
232.11842	0.4
250.12946	100.0
251.13354	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	249.1845
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.16012	0.6
55.05497	11.5
57.07070	3.5
59.04992	3.0
65.13262	0.5
67.05499	4.7
69.07056	6.7
71.49833	1.4
79.05479	3.1
81.07034	7.1
83.08608	4.1
91.05457	4.3
93.07024	9.8
95.08590	16.0
97.06490	1.0
97.10151	3.9
98.20567	0.6
104.40993	0.6
105.07012	10.3
107.07902	1.0
107.08578	16.3
109.10136	10.6
111.04459	0.7
111.08038	1.3
119.08556	23.1
121.06457	1.0
121.10113	10.5
123.11642	3.3
125.05960	0.8
125.09621	1.0
126.39002	0.5
131.08484	1.0
133.10103	26.6
135.11659	6.2
137.05997	1.0
139.07539	0.8
143.60596	0.6
145.10057	1.3
147.11656	21.7
149.13234	4.2
151.11183	1.0
153.09097	7.4
156.94057	0.6
159.11649	2.2
161.09610	1.1
161.13245	9.7
163.14793	2.0
165.09071	1.6
167.10670	6.9
174.13911	1.1
175.11174	0.6
175.14818	3.4
177.16341	0.7
179.10620	2.6
189.12791	0.7
193.12199	2.3
203.17921	100.0
204.18306	3.0
205.19476	14.8
221.18991	5.5
231.17383	3.6
249.11301	0.8
249.14748	0.8
249.18442	18.2
249.22148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1482
Annotation	Wutaipyranol
Peak:m/z	Relative Intensity
51.75329	0.4
55.01865	0.5
55.05495	1.4
57.03412	0.9
57.07057	0.6
59.04988	2.4
65.03931	0.6
67.05490	1.5
69.03408	1.8
69.07047	1.1
70.95051	1.4
71.04955	1.2
79.05476	2.8
81.07050	2.8
83.04968	0.5
85.02880	1.6
85.06531	0.5
91.05462	7.1
91.74816	0.4
93.07035	2.7
95.04944	1.5
95.08578	1.6
95.55949	0.4
97.02881	1.7
99.04379	0.4
103.05453	0.7
105.03377	0.5
105.07013	6.8
107.04923	1.8
107.08566	3.6
109.02851	0.6
109.06490	1.0
109.10124	1.4
111.08051	0.6
115.05426	4.2
116.06197	2.1
116.60127	0.4
117.07021	3.8
119.04910	0.6
119.08556	5.1
121.06497	2.2
121.10125	1.9
123.08041	0.9
123.11628	0.5
127.03883	0.8
128.06194	7.5
129.06989	16.2
130.07701	1.3
131.04900	1.7
131.08548	15.9
131.09557	0.5
132.05679	1.1
132.08943	0.6
133.06453	3.3
133.10114	3.6
135.08022	0.7
135.11656	0.6
137.05962	3.3
141.06973	6.5
142.07755	3.3
143.04883	0.9
143.08540	5.6
144.05682	7.5
145.06477	5.1
145.10107	9.2
146.07259	2.8
147.04384	1.4
147.08064	2.3
147.11636	2.7
149.05966	1.0
149.09596	0.8
149.13226	0.5
151.07520	1.9
152.06216	0.7
153.06979	1.5
155.06042	0.8
155.08554	0.7
156.05659	1.7
156.09192	0.4
157.06476	7.5
157.10101	1.4
158.07239	2.3
159.04436	0.7
159.08034	23.2
159.11674	1.0
160.05182	1.6
160.08443	0.7
161.05962	3.7
161.09602	8.1
161.13217	1.8
163.03935	0.5
163.07520	1.2
163.11227	0.6
165.06976	0.6
167.04851	0.6
167.07047	0.8
169.06412	1.1
169.07617	1.7
170.07245	7.5
171.04332	0.8
171.08032	6.2
171.11679	2.6
172.05162	3.0
173.05927	3.2
173.09618	6.5
174.06741	3.8
175.07536	8.8
175.11110	1.1
176.08282	0.9
177.09126	0.9
178.06256	0.7
179.10609	1.3
181.06447	0.6
185.05928	0.9
185.13246	2.2
186.06770	0.6
187.07521	15.5
187.11018	0.5
187.14790	0.8
188.08211	2.3
189.05472	3.5
189.09073	20.4
189.12723	2.9
189.16322	0.6
190.06165	0.7
190.09673	0.5
191.06973	0.8
191.10645	5.2
192.07777	0.6
193.08598	0.9
193.12131	0.5
195.11760	1.0
198.06776	1.7
199.07532	2.1
201.05464	2.2
201.09183	0.5
202.09927	2.5
203.06996	5.5
203.10710	2.3
203.14296	2.4
204.07784	11.2
205.08525	1.9
206.09378	1.2
207.13747	0.6
213.12764	3.4
214.13072	0.4
216.07883	3.3
216.11334	1.9
217.08601	0.9
218.09311	0.6
219.10086	1.5
221.08031	0.9
221.11687	2.8
231.10245	5.7
231.13760	23.1
232.14117	0.7
234.08902	0.9
249.11188	100.0
249.14824	45.8
249.18361	1.8
250.11580	4.1
250.15019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1481
Annotation	Heliannuol G
Peak:m/z	Relative Intensity
55.05478	3.8
57.07052	2.3
59.04981	9.3
66.33093	1.7
67.05478	5.3
69.03403	3.2
69.07046	3.5
71.04659	1.5
71.04980	18.5
71.79445	2.7
79.05457	5.1
80.66604	1.5
81.07036	8.0
83.04945	4.4
83.08574	4.4
85.06492	2.3
91.05462	7.8
93.07017	6.7
95.04917	4.3
95.08574	6.0
97.02871	1.7
97.06498	2.3
97.10125	1.8
105.07008	9.6
107.04890	2.4
107.08022	1.3
107.08580	17.6
109.06481	5.2
109.10129	4.5
115.05427	2.1
117.06985	3.0
119.08583	10.5
121.06454	4.5
121.10121	3.7
123.04420	2.9
123.08003	2.7
123.11644	2.0
125.05932	2.0
125.09587	6.6
128.06165	1.4
129.06934	1.7
130.06491	1.4
131.08551	4.2
133.10086	5.6
135.04321	1.8
135.08018	22.6
135.11632	2.0
137.05951	46.9
143.08502	4.9
145.06461	4.9
145.10124	3.4
147.07988	4.7
147.11667	3.0
149.09599	3.3
151.03886	6.7
151.07529	10.7
159.08018	2.3
161.05952	6.6
161.09576	7.2
161.13184	2.8
163.07509	71.5
165.09059	2.1
171.07895	2.2
173.09602	1.5
174.06779	1.5
175.07497	36.5
175.11084	1.8
177.09081	9.6
179.07031	1.6
185.13161	2.7
188.08250	3.1
189.09059	17.2
189.12683	5.1
191.10649	3.4
193.12148	1.8
203.07077	2.7
203.10637	1.5
203.14278	6.4
203.17888	4.2
206.23158	1.5
207.10063	3.1
213.12730	1.5
213.16315	1.8
231.06430	1.8
231.13756	100.0
232.06046	1.5
249.07460	2.4
249.11157	4.0
249.14790	73.0
249.18488	5.7
249.21922	1.6
259.29199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1481
Annotation	Mitchellene A
Peak:m/z	Relative Intensity
53.03934	1.3
55.01858	1.7
55.05494	2.7
57.07051	1.0
57.69053	0.5
59.04970	2.2
67.05492	10.2
68.37746	0.7
69.03413	4.3
69.07059	6.4
71.04993	0.6
71.79068	0.8
79.05460	2.9
81.07041	8.0
83.01308	2.4
83.04969	5.0
83.08579	2.1
84.27473	0.5
85.02885	2.6
85.06503	0.7
91.05447	4.6
93.07041	3.8
95.04971	1.4
95.08593	4.2
97.02860	1.1
97.06502	1.4
99.04400	1.1
103.05433	1.8
105.07017	5.3
107.04929	1.5
107.08549	2.5
109.06506	1.4
109.10142	11.9
111.08015	0.7
115.05443	1.7
117.07004	1.7
119.08566	5.4
121.06488	15.2
121.10107	1.5
123.04441	1.1
123.08048	1.5
123.11667	1.0
125.05984	5.1
127.03882	1.8
128.06165	2.7
129.06979	3.4
130.07721	1.5
131.04918	1.3
131.08545	1.5
133.06483	1.0
133.10130	3.1
135.08020	2.4
137.05974	7.8
139.07516	2.0
141.06915	1.4
143.08527	8.4
144.05612	1.2
145.06427	2.0
145.10100	5.4
146.07141	0.9
147.08041	8.3
147.11667	1.9
149.05940	7.8
151.07547	6.8
153.05449	15.8
155.08511	1.6
157.06456	1.8
157.10085	1.0
158.07201	1.3
159.08006	2.5
159.11522	0.7
160.05156	1.2
160.08743	0.6
161.05930	2.5
161.09598	10.3
161.13214	1.5
163.07539	2.1
165.09065	4.0
167.07013	63.5
170.07207	1.0
170.10861	0.9
171.07982	3.4
171.11684	1.9
173.09593	25.2
174.06734	4.7
175.07515	26.2
175.11031	0.8
175.14804	1.6
176.08197	0.7
177.08943	0.7
179.06990	2.1
179.10590	1.1
181.08525	1.5
185.09595	1.0
185.13290	3.4
187.07498	1.7
188.08325	1.5
188.11836	0.8
189.09070	27.2
189.12704	3.7
189.16412	0.9
191.10640	1.5
192.07669	0.8
193.08575	28.8
195.11690	1.3
202.09851	2.0
203.10611	2.8
203.14279	11.1
207.10129	7.9
213.12677	5.5
216.11488	1.3
221.15305	5.2
226.07799	0.8
231.13759	69.4
232.14076	1.3
249.11194	6.6
249.14819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Isoevodionol
Peak:m/z	Relative Intensity
55.01865	0.4
55.05502	3.9
57.07064	2.0
59.04993	0.7
67.05473	1.2
69.07032	0.7
69.99919	0.3
71.09588	0.3
79.05460	0.9
81.07061	1.6
82.40778	0.3
83.08585	0.7
88.28680	0.3
91.05471	2.2
93.07036	0.9
95.08610	1.8
97.10136	0.5
103.05403	0.4
105.07021	5.7
107.04946	0.5
107.08552	1.6
109.06499	0.6
109.10112	0.9
117.07014	0.7
118.96989	0.3
119.04922	0.7
119.08558	3.5
121.06467	1.3
121.10124	1.2
123.04413	0.9
123.08069	0.4
128.06190	1.3
129.06964	0.6
131.04939	0.3
131.08530	0.6
133.06465	5.1
133.07376	0.6
133.10107	5.5
135.11703	0.5
137.05930	1.0
137.09601	0.4
142.07758	0.6
143.08568	2.3
145.06517	0.5
145.10115	0.5
146.07222	1.0
147.08018	1.2
147.11655	2.7
149.05949	0.6
149.13228	0.5
153.09036	0.5
156.58104	0.3
159.08005	0.4
160.08809	0.4
161.05956	3.8
161.09595	8.6
161.13196	0.8
165.05406	0.7
167.10645	0.5
175.07495	0.6
175.11168	1.0
175.14668	0.3
178.06216	0.5
179.07007	5.9
185.09596	0.8
189.09079	0.8
189.12770	0.5
191.07109	0.5
193.04897	1.2
193.12201	0.5
203.10631	2.8
203.17937	10.9
205.08609	0.5
205.19409	0.4
206.09369	1.3
207.06514	0.9
221.11713	8.4
221.18983	0.7
231.17303	0.6
249.11189	100.0
250.11517	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	249.1118
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
50.62077	0.4
57.03421	0.6
69.03398	0.6
71.18726	0.8
79.05463	0.5
81.50927	0.5
83.53994	0.5
91.05457	4.6
103.05437	1.1
105.06984	2.3
107.04933	1.7
115.05444	3.6
116.06224	1.9
117.06984	2.1
119.08558	0.6
121.06490	0.6
128.06207	7.1
129.06989	14.2
130.07701	0.7
131.04910	2.0
131.08542	12.9
132.05666	0.8
133.06470	2.0
133.10085	0.9
141.06949	7.2
142.07832	2.9
143.08563	2.7
144.05685	7.0
145.06465	4.9
145.23845	0.5
146.07246	2.5
147.04387	1.4
152.06262	1.0
153.06964	1.6
155.06038	1.2
156.05649	1.2
157.06465	7.2
158.07228	1.9
159.08031	23.4
160.05148	1.2
160.08496	0.7
161.05968	2.2
161.09602	6.2
167.07024	1.1
169.06407	1.2
169.07617	1.4
170.07239	6.4
171.04327	0.6
171.08011	4.9
172.05196	2.3
173.05943	3.9
174.06775	2.6
175.07524	2.4
178.06104	0.7
185.05994	1.0
186.06735	0.8
187.07520	14.1
188.08199	1.4
189.05466	3.3
189.09056	6.6
190.06393	1.0
191.06993	0.9
193.08485	0.7
198.06674	1.4
199.07510	1.7
201.05409	1.1
203.06996	4.7
204.07784	10.5
205.08374	1.5
206.09302	1.1
216.07806	2.6
217.08542	0.7
218.09398	1.1
219.10159	1.2
221.08138	1.1
221.11664	2.5
231.10161	4.1
234.08902	0.7
249.11186	100.0
250.11488	3.3
260.95673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01860	7.2
55.05503	15.5
55.44384	1.4
56.05040	1.5
56.96557	53.2
57.03429	9.2
57.07041	1.4
58.99862	2.3
59.04707	1.2
59.04990	3.7
60.95855	1.3
61.02921	25.0
67.01832	1.1
68.79421	1.3
69.03425	13.7
69.07042	3.2
70.03741	1.4
70.06574	5.8
70.98122	6.5
71.04974	3.1
71.78993	1.2
72.08154	2.9
73.02907	17.6
73.06548	12.1
73.89961	1.2
74.97610	2.8
81.03413	5.2
81.07050	1.7
83.04976	1.5
84.04462	2.1
84.08131	5.4
84.96021	4.1
85.02895	27.0
85.06528	1.9
86.09647	1.5
87.04455	4.9
88.99141	3.8
91.03941	1.6
91.05487	1.6
97.02883	17.7
98.01288	1.8
98.03159	1.4
98.97570	75.3
99.02098	1.5
99.04443	3.5
99.97897	1.5
101.00860	3.2
102.96967	1.4
104.01254	2.1
107.00191	1.6
109.02874	3.4
110.01268	3.7
110.07172	2.4
110.97552	4.6
111.00249	1.5
116.98610	52.1
117.01852	11.2
118.00974	1.8
119.00189	4.2
119.01899	14.7
119.02672	2.6
119.04910	2.0
121.01576	1.8
122.48387	1.4
123.04408	1.7
124.01864	2.4
124.99113	1.6
125.02652	3.1
125.03593	1.4
126.00733	1.7
127.01518	2.2
127.03926	10.7
128.02290	3.7
128.07079	1.8
128.92023	1.3
128.98640	9.0
129.02223	2.0
130.08615	5.0
131.00122	4.0
131.01840	2.2
132.00708	3.7
133.01556	1.4
133.03433	3.1
134.99634	23.2
136.06105	1.8
137.01204	2.1
137.05956	5.2
139.01529	1.7
140.03198	1.7
140.39879	1.3
140.98584	2.2
141.01274	1.8
142.08508	1.5
143.00145	6.0
143.01878	3.4
145.01610	5.2
145.04959	3.7
146.01338	2.0
146.04077	9.9
146.99654	12.6
147.01321	3.8
147.03250	7.5
147.04387	4.1
147.55948	1.5
149.01213	3.7
149.02913	3.2
149.04515	1.8
152.07018	1.7
153.00668	2.8
155.04628	100.0
155.54797	11.6
156.01805	2.1
158.01204	2.1
158.05937	1.4
158.99643	24.6
160.00070	1.6
161.01282	7.0
161.02849	6.7
161.04706	1.3
162.99092	2.7
163.02756	5.9
163.04005	1.8
164.05157	38.8
164.55359	5.7
165.00710	10.8
165.04320	6.5
166.03102	1.6
166.55446	11.7
168.01692	8.2
170.08131	1.8
170.99707	2.8
172.97591	3.9
173.01308	2.5
173.02960	2.0
174.99214	2.3
175.00888	2.7
175.02510	1.5
177.00705	31.5
177.02316	10.1
177.04100	3.2
177.05936	5.0
178.01096	2.5
179.02188	2.9
179.06956	2.7
180.01616	1.5
181.03638	3.2
182.01538	1.5
182.03381	1.6
183.01791	2.0
184.03065	4.2
184.04791	2.3
184.97652	1.8
185.02968	2.6
186.99124	3.7
187.10748	7.8
188.02483	2.4
188.52841	2.1
188.54840	1.3
189.00682	9.6
189.02480	9.0
189.04237	7.5
189.53214	2.0
190.98618	4.8
191.02214	3.3
191.03786	1.6
193.00227	2.3
195.01797	2.7
197.05695	4.0
197.53107	2.9
198.03670	4.7
200.02304	2.0
201.00635	2.8
201.02452	1.6
201.04324	1.9
202.98630	3.9
203.03990	2.9
204.02948	1.7
205.00168	6.5
205.03752	2.1
205.05461	6.8
207.01765	12.5
207.03444	4.4
207.05269	15.4
208.04935	5.5
208.99683	1.9
209.03059	1.5
210.02850	5.6
213.03459	4.5
217.00130	2.0
217.01955	4.4
217.05460	11.1
219.01736	5.3
219.03380	4.6
219.05232	7.5
219.07617	2.3
220.99681	4.5
223.01262	3.9
223.04839	1.9
226.03799	2.2
226.05812	4.8
229.04532	2.0
230.98192	2.8
232.99654	2.9
237.02718	7.1
240.05618	4.5
248.99173	6.7
249.02437	2.0
249.03654	2.5
249.06218	41.0
249.08711	2.1
249.11873	2.4
249.56351	4.4
267.03894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	3.4
58.99850	0.5
70.61036	1.2
73.02888	0.6
77.00907	0.9
82.99796	2.1
83.04969	0.8
85.01374	0.6
85.02905	0.5
89.00873	0.4
98.97562	3.9
101.00861	27.8
102.00977	0.7
103.02417	2.1
103.23891	0.4
105.00368	0.4
113.00882	1.2
115.02386	1.0
116.98583	2.8
119.01901	100.0
120.02009	2.6
121.02399	0.4
121.03445	0.8
124.02397	0.9
127.02408	1.1
131.01881	6.7
133.03458	1.5
134.99644	0.9
137.02934	22.4
138.03036	0.6
138.98915	0.4
141.00377	0.5
142.03473	2.4
143.01878	17.5
144.02034	0.5
145.03438	11.6
147.01378	2.5
149.02959	2.1
156.50374	0.5
157.03465	3.2
159.01364	9.8
160.04628	0.6
161.02934	58.9
162.03043	1.8
163.04500	2.0
165.02461	0.9
171.01378	6.6
172.01630	0.6
173.02945	4.4
175.04430	1.9
177.00914	1.0
177.02414	18.1
178.02545	0.7
179.02454	0.6
179.03941	2.6
180.59859	0.4
184.04562	2.0
185.02963	1.4
185.10944	0.4
189.02420	45.3
190.02611	1.8
191.03993	4.6
199.00153	0.5
200.04062	0.7
201.02426	5.9
203.02261	0.7
203.03987	1.8
205.00238	0.9
207.03476	16.1
212.03992	1.6
219.01488	0.6
219.03474	6.2
220.03777	0.5
226.05571	1.0
230.05035	0.6
230.98161	0.4
231.03468	3.8
237.04518	0.6
249.04538	36.6
250.04669	1.2
267.05612	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	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53592	4.7
55.00843	4.6
70.06569	5.5
71.22841	10.7
71.23219	10.9
94.93032	8.4
98.97570	12.6
116.07078	8.7
118.08646	6.8
139.33000	5.1
150.40044	5.5
219.59525	5.4
232.04944	5.2
249.03694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
50.75945	0.3
55.05502	1.0
59.04986	1.5
61.92498	0.3
64.15293	0.3
67.05485	1.4
69.03399	0.5
69.07060	7.7
70.06572	0.8
71.04997	0.5
71.79504	0.3
71.79887	0.4
73.06550	4.0
81.07021	1.1
85.02881	0.7
90.12035	0.3
91.05470	1.4
93.07030	1.0
95.08582	0.5
97.06567	0.5
100.70605	0.3
103.05385	0.4
105.07014	1.1
107.08581	1.0
115.05448	1.1
117.06992	2.0
118.06525	10.6
119.07313	8.8
121.06532	0.5
127.03902	0.4
128.06233	0.6
129.06990	1.9
131.08559	1.6
132.08041	0.6
134.09639	83.6
135.09998	0.8
137.09599	3.8
141.06982	0.5
143.07275	0.4
144.05693	0.9
144.08034	1.3
145.06485	0.8
146.06004	4.9
148.11179	1.4
150.12782	0.5
157.06474	0.7
158.07251	0.4
159.08002	2.0
160.05157	0.4
160.07529	0.7
161.09665	0.7
170.06010	0.9
170.07314	0.8
171.08098	0.7
174.12767	1.1
175.13486	0.4
176.14337	1.6
178.04959	0.6
183.30829	0.3
187.07501	1.7
188.06993	4.2
189.09087	0.9
198.06601	0.4
200.49887	0.3
201.05482	0.5
204.07808	1.1
204.17442	5.4
206.18987	3.3
221.09581	0.5
230.19125	1.0
231.10101	0.4
248.16473	100.0
248.20113	18.8
249.09149	0.9
249.11234	10.7
249.14169	0.5
249.16808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1644
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.01874	1.2
55.05502	1.3
57.03418	0.3
59.04992	0.4
65.62017	0.2
67.05490	0.7
69.03391	0.5
69.07059	5.0
69.79859	0.2
70.06590	1.2
71.80028	0.3
72.08161	0.3
73.02911	4.8
73.06548	3.1
74.27164	0.2
78.74838	0.2
79.05492	0.4
81.07049	0.7
83.08630	0.2
85.02881	0.5
86.09667	0.2
91.05460	1.0
93.05772	0.3
93.07025	0.6
95.08606	0.3
97.02876	0.3
97.06501	0.7
105.07013	0.5
106.06550	0.2
107.08569	0.4
108.08099	0.2
108.77475	0.2
109.06480	0.2
109.08863	0.4
110.06012	0.3
111.08076	0.4
115.05441	0.7
117.07012	1.3
118.06525	6.8
119.07317	5.5
119.08608	0.3
121.06420	0.2
127.03937	0.3
129.07050	0.3
131.08563	0.6
132.08080	0.8
133.08894	0.2
133.10101	0.3
134.09637	54.4
135.09946	0.4
135.11714	0.3
137.09619	0.7
139.05281	0.2
141.06996	0.4
143.07323	0.3
144.05592	0.3
144.08073	0.8
146.05981	3.0
147.04411	0.2
148.11176	0.4
150.05479	0.3
157.06453	0.4
159.08064	0.8
160.07556	0.3
160.11201	0.4
161.09657	0.3
164.06963	0.5
166.12263	2.6
173.05930	0.2
173.09674	0.4
176.04034	0.2
176.14304	0.5
187.07518	0.5
188.07014	2.5
189.05333	0.3
189.09023	0.5
202.12744	0.2
204.17487	0.5
206.18996	0.3
219.10097	0.2
230.14120	0.2
231.06526	0.2
248.09119	1.8
248.16440	100.0
248.20039	7.9
249.09200	0.4
249.11247	3.1
249.14743	0.5
249.16795	0.9
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	12.3
57.07060	2.3
58.35709	2.0
66.94235	2.1
67.05487	8.8
69.07050	7.8
69.99157	2.1
70.85146	6.6
74.68619	2.1
79.05483	4.9
81.07039	11.7
83.08626	4.1
88.00980	2.0
91.05452	13.1
93.07031	21.3
95.08587	20.0
97.06496	2.4
97.10137	3.0
105.07016	28.1
107.08578	26.8
109.06491	4.5
109.10159	6.9
113.13931	1.9
117.07022	5.3
119.08574	42.1
121.10143	12.4
123.11727	3.9
131.08557	29.3
133.10106	61.7
135.08037	4.1
135.11659	2.9
139.07520	4.0
143.08565	2.7
145.10106	34.3
147.08147	2.1
147.11661	9.6
149.06004	2.7
149.09608	6.4
149.13225	2.0
151.07555	5.2
153.09044	2.6
153.78236	2.1
157.10083	5.8
159.08093	5.6
159.11688	36.8
159.35420	2.1
161.13196	6.9
163.07558	11.1
163.11145	2.8
165.09106	4.5
169.10043	2.1
173.09572	5.7
173.13264	14.0
175.03896	3.0
175.14709	4.1
177.09087	43.7
187.11203	4.4
187.14799	4.4
191.10666	6.2
194.01088	1.9
201.16368	100.0
203.17889	12.2
211.14893	2.1
219.17445	6.6
229.15846	18.7
229.19461	3.7
247.09633	3.9
247.10783	2.4
247.13213	28.1
247.16913	34.7
247.20538	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	248.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74806	1.0
55.01862	2.1
55.05480	1.8
56.96558	52.6
57.03413	4.7
59.47742	1.0
61.02917	13.7
67.05508	1.4
69.03415	4.3
69.96220	3.2
69.96658	4.2
70.06571	2.6
70.98100	4.3
70.99824	1.1
71.01309	1.3
71.04955	1.9
71.95240	1.5
72.08116	2.0
72.96017	2.2
73.02910	5.5
74.76260	0.9
74.97616	1.2
83.01670	1.2
83.97607	1.7
84.08124	7.1
84.96021	1.1
84.99229	1.7
85.02890	7.3
86.06054	1.3
86.09706	9.2
86.57157	1.0
88.99132	3.5
92.86635	1.2
97.02856	3.5
97.06547	1.0
98.20660	1.3
98.97569	100.0
99.04423	1.8
101.00843	3.3
102.00931	1.4
104.02119	1.4
104.07081	1.8
110.02126	2.3
110.97552	2.1
111.00233	2.3
112.01880	1.3
112.07592	3.7
113.00832	1.6
116.00217	1.4
116.02076	1.2
116.98607	81.3
117.01833	9.7
117.02886	2.1
118.01894	1.6
119.01882	11.7
119.02659	3.2
120.01990	4.4
121.01623	2.2
121.77250	0.9
125.02638	14.5
125.52705	1.6
126.02286	1.3
126.03410	5.5
127.01506	4.8
127.02370	1.6
127.03883	2.8
128.98599	4.3
129.01904	1.0
130.08624	29.7
131.01845	3.3
131.02675	1.7
131.08922	1.0
132.01559	1.1
132.03458	2.5
133.01585	1.7
133.03392	3.0
134.01239	2.2
134.99638	37.0
137.00832	5.6
137.02892	2.0
138.00687	1.6
138.01604	1.6
139.01440	1.1
139.02425	1.7
140.00159	3.0
140.03819	1.9
142.01945	2.0
142.05385	1.5
143.00105	1.3
143.01883	3.2
144.01591	2.0
145.03439	2.8
146.01311	10.1
146.51385	2.2
146.99622	5.5
147.01324	1.6
149.02887	1.8
152.01299	1.7
153.00661	5.0
153.02129	3.0
155.01852	2.2
157.03540	1.5
158.01270	4.1
158.04858	6.4
158.99614	2.0
159.02167	5.1
159.52194	1.3
160.06407	7.6
161.01033	1.5
161.02940	5.0
163.02698	1.3
163.04361	1.2
165.00691	4.2
165.02138	2.8
166.02977	1.6
166.56322	9.9
166.60709	2.4
167.01854	4.8
167.06419	1.6
168.01723	5.1
170.01405	1.2
170.04939	3.3
170.99617	1.6
171.03281	2.4
172.97534	1.6
173.01469	1.2
173.02937	5.1
174.02759	3.4
174.99287	1.4
175.00888	4.1
175.02469	1.3
176.02359	1.4
176.04417	1.1
176.05957	1.4
177.00766	2.6
177.02338	7.2
177.03958	1.9
178.07407	3.2
179.01949	2.9
180.02661	2.1
181.03485	2.0
182.61234	1.3
185.02966	2.1
186.02870	1.6
186.99181	1.1
187.00778	1.9
187.03322	1.8
188.01007	1.3
188.02393	24.2
188.05872	7.1
188.07437	1.4
188.52567	3.6
189.00681	3.3
189.02843	3.5
189.04457	12.2
190.98706	1.9
191.03999	3.7
193.01814	1.4
196.54558	1.3
197.03046	8.3
197.53114	1.7
198.02954	2.5
199.00899	1.5
201.02522	1.6
202.07481	1.5
203.04056	1.8
206.06978	11.2
206.08679	1.9
207.01784	5.0
207.03481	1.7
207.05324	11.3
209.02925	1.9
217.01961	2.5
219.03491	3.4
221.05115	1.3
224.08049	15.0
228.03831	1.7
230.03506	2.1
230.06960	40.7
231.05383	3.4
232.99593	1.3
235.01143	1.1
237.02650	1.5
245.05070	4.0
248.08034	94.9
248.99194	2.3
249.06438	1.7
266.09113	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	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.61485	0.4
55.05492	4.7
57.07055	0.7
60.57081	0.6
67.05482	2.7
69.07048	3.0
71.01495	0.7
71.08570	0.5
79.05482	2.8
81.07034	5.1
83.04918	0.7
83.08575	1.5
91.05459	5.1
93.07032	9.7
95.05001	0.6
95.08593	9.4
97.10149	1.5
99.04413	1.2
105.07015	10.8
107.08576	11.2
109.06451	1.2
109.10143	3.4
117.06977	2.1
119.08560	25.3
121.10116	5.3
123.11691	1.2
125.06006	0.7
130.07744	0.9
131.07634	0.8
131.08551	11.4
133.10103	17.2
135.11653	1.6
139.07506	0.7
143.08524	1.0
144.09311	1.2
145.10095	22.3
146.10880	0.6
147.11705	4.2
149.05942	0.7
149.13220	0.9
151.07483	2.0
157.10040	1.2
158.10857	0.9
159.08038	0.9
159.11681	16.1
161.13235	4.3
163.07513	3.8
165.09138	0.6
171.11646	1.5
173.09547	1.6
173.13240	8.8
175.14781	0.8
177.09045	3.5
179.10583	0.9
185.13194	0.6
186.13997	6.0
187.11182	1.2
187.14835	0.7
191.06956	0.6
191.10588	2.0
201.16348	100.0
202.16690	1.6
203.17894	6.0
205.12161	0.8
219.17427	4.2
229.12254	0.7
229.15828	7.1
229.19417	1.0
247.13194	5.7
247.16898	27.4
247.20590	1.7
248.17274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.1
55.05501	3.8
57.03418	0.8
57.07058	0.9
65.73892	0.5
67.05489	4.2
67.49335	0.5
69.03409	0.8
69.07056	4.2
71.04964	0.8
79.05489	3.5
81.07047	6.8
83.04948	1.1
83.08596	2.0
91.05476	6.5
93.07024	10.3
95.04942	1.7
95.08590	9.0
97.06526	0.9
97.10138	0.9
105.07010	11.8
107.04912	0.9
107.07903	1.0
107.08578	13.9
109.06510	1.5
109.10143	3.5
111.08028	0.9
112.60333	0.6
117.06984	2.3
119.08567	18.6
121.06471	2.2
121.10138	5.6
123.08052	0.9
123.11702	0.8
125.09595	1.6
130.07774	0.6
131.08553	13.5
133.10115	12.2
135.07999	1.5
135.11665	2.0
137.05988	0.8
137.09563	0.9
137.13251	0.7
139.07494	0.9
139.30864	0.6
141.06935	0.6
143.08496	2.1
145.10104	21.6
147.08009	1.2
147.11684	4.5
149.09595	1.9
149.13232	1.0
151.07523	0.8
155.08556	0.7
157.10089	1.5
158.10896	0.7
159.08040	3.0
159.11676	13.9
161.13229	4.5
163.07527	2.4
163.11162	1.6
165.09023	0.8
168.09436	0.7
171.11673	1.7
172.12494	0.7
173.05917	0.8
173.09613	1.6
173.13228	6.4
175.03877	1.1
175.14821	1.1
177.09081	3.8
183.11653	0.8
186.14001	6.3
187.07593	3.6
187.11153	1.4
187.14760	3.4
189.09058	0.9
189.12685	1.1
191.07004	2.8
191.08635	0.5
191.10628	1.7
192.07787	0.7
193.12283	0.6
196.12440	0.6
201.16359	100.0
202.16704	1.5
203.17929	4.2
205.08545	2.5
211.11098	0.8
211.14810	1.0
217.08611	4.3
219.17349	3.9
229.08530	0.9
229.12231	3.9
229.15822	4.9
229.19522	1.2
232.10921	7.4
246.67813	0.6
247.13268	55.8
247.16905	31.6
247.20424	4.8
247.24438	0.8
248.13345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03928	3.9
53.73161	0.9
55.01849	1.3
55.05487	3.6
57.07076	1.0
58.13232	0.9
60.09944	0.9
65.03918	2.8
67.05502	5.9
69.03420	20.0
69.07037	2.5
69.64776	5.8
69.65199	3.6
77.03931	1.2
79.05483	8.4
81.07044	8.8
83.04504	1.6
83.04974	19.8
85.06539	2.1
87.54658	1.0
89.40922	1.1
91.05471	15.7
93.03387	3.3
93.07033	13.4
93.38891	1.2
95.04968	5.7
95.08601	2.6
97.02881	6.1
97.06519	1.9
98.20722	1.9
99.04446	1.5
102.61523	1.2
105.07017	13.2
107.04938	2.5
107.08576	14.2
109.02868	19.9
109.06509	16.7
109.10151	3.4
111.04424	5.7
111.08025	1.8
115.05410	3.8
117.07005	11.6
119.04980	1.2
119.08572	20.9
121.02849	3.7
121.05704	1.7
121.06495	22.7
121.10141	6.6
123.08021	2.4
128.06210	2.9
129.06978	6.4
130.07735	1.0
131.08562	19.0
132.05659	1.8
133.10114	14.0
135.08037	28.0
135.11635	1.1
137.05951	5.5
137.09616	4.0
139.03914	2.1
141.06961	2.1
142.07741	2.6
143.08546	10.3
144.09331	12.4
145.06464	9.9
145.10104	13.3
146.07217	1.3
147.08018	4.2
149.09593	23.9
150.10336	3.4
151.11172	3.2
153.06978	2.6
155.08533	5.0
157.10115	3.3
157.53929	1.0
158.07233	2.4
158.10901	14.6
159.08052	9.6
159.11678	29.3
160.08820	2.7
161.09578	4.4
163.07521	20.3
163.11179	3.2
165.09061	1.8
168.09332	4.8
169.10045	3.0
170.10857	3.3
171.08052	7.6
171.11662	2.4
172.08824	14.0
173.09618	26.1
173.13240	41.2
178.07834	1.2
181.06476	3.2
183.11647	9.2
185.09633	1.6
185.13191	2.7
186.10378	25.3
187.07597	3.4
187.11159	100.0
188.11548	3.0
189.09041	2.9
191.07016	28.4
193.10147	2.0
196.08820	6.3
199.07515	2.2
201.12729	70.0
202.13078	1.6
203.10667	1.9
203.14264	1.4
205.12231	10.4
211.11176	12.0
214.09877	3.7
219.13754	5.4
222.19354	1.1
229.12218	65.9
230.12453	1.2
247.13268	66.4
247.17061	2.3
248.13565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1325
Annotation	Aquatolide
Peak:m/z	Relative Intensity
55.05492	1.2
57.03432	0.5
57.07054	0.6
60.66009	0.4
67.05489	1.1
69.03419	0.5
69.07051	1.9
69.30485	0.4
70.89038	0.8
78.81672	0.4
79.05479	2.7
81.07050	2.0
83.01316	1.5
85.02890	1.2
85.06490	0.5
91.05463	2.3
93.07028	3.0
95.04961	0.9
95.08580	1.8
98.98450	0.5
105.07026	5.4
107.04943	5.0
107.08565	4.0
109.05395	0.4
109.06470	0.7
115.05439	1.0
117.07011	0.9
119.04899	1.8
119.08541	2.4
121.06473	3.0
121.10126	1.8
128.06180	1.4
129.06937	0.6
131.08537	4.5
133.10101	3.8
134.96378	0.4
135.08041	1.1
135.11632	0.7
139.03870	0.7
143.08519	1.8
145.06453	1.8
145.10095	4.0
146.06001	0.5
147.04367	0.5
147.08049	0.7
147.11658	1.1
153.05464	1.9
155.08510	1.0
157.10124	0.4
158.07211	0.5
159.08040	8.6
159.11641	2.8
161.05943	0.6
161.09607	1.7
163.07471	0.8
163.11171	1.7
168.09276	0.6
171.08029	0.9
173.05957	3.5
173.09579	1.2
173.13237	3.2
174.06654	0.6
175.03871	1.2
175.07452	0.7
176.04657	0.4
177.05431	1.1
177.09126	1.9
179.07024	0.5
183.11661	1.1
186.10350	0.8
187.07506	7.4
187.11200	1.4
187.14772	0.6
189.09076	4.7
191.07016	9.4
191.10570	0.8
192.07652	0.9
196.08824	0.4
201.09082	1.6
201.12708	3.9
201.16351	8.9
203.06993	0.8
203.17906	0.6
204.07753	2.0
205.08562	8.0
205.12215	1.2
211.11191	2.2
217.08545	0.8
218.09380	1.6
219.10217	2.4
219.13664	2.4
219.17429	0.6
229.12224	8.3
229.15732	0.9
229.19533	1.6
232.10956	1.5
247.13264	100.0
247.16809	3.8
247.20210	2.7
248.13570	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	247.1324
Annotation	Zederone
Peak:m/z	Relative Intensity
55.05492	0.4
57.07067	0.4
67.05479	0.4
69.07055	0.8
70.33567	0.7
70.61182	0.1
77.49115	0.1
77.62585	0.2
79.05460	0.6
80.92265	0.2
81.07029	0.6
83.01320	0.7
85.02810	0.2
91.05457	0.7
93.07021	1.0
95.08591	0.7
105.07017	1.8
107.04926	0.6
107.07059	0.2
107.08584	1.2
109.06494	0.2
109.10131	0.5
115.05414	0.3
117.06979	0.6
119.04894	0.3
119.08575	1.3
121.06479	0.5
121.10130	0.6
123.04279	0.2
125.05939	0.3
128.06209	0.3
129.06958	0.4
130.07695	0.2
131.08559	2.3
133.10114	0.9
135.11693	0.2
143.08563	0.7
144.09271	0.2
145.06441	0.3
145.10106	3.8
147.11636	0.4
149.09575	0.2
153.05423	0.7
155.08546	0.4
156.74498	0.2
157.10043	0.4
158.10847	0.3
158.51239	0.2
159.08028	3.2
159.11682	2.2
161.05898	0.2
161.09630	0.2
161.13159	0.2
163.07529	0.3
163.11142	0.3
167.06853	0.2
168.09277	0.5
171.08049	0.5
172.12509	0.2
173.05946	0.7
173.09631	1.1
173.13210	1.1
174.06725	0.5
175.07620	0.3
177.05434	0.5
177.09070	0.5
181.06425	0.2
183.11658	1.0
185.13214	0.4
187.07523	6.4
187.11111	0.5
187.14793	4.2
188.08188	0.2
189.08995	0.5
191.07008	2.3
191.10664	0.6
192.07764	1.7
193.10017	0.2
196.08797	0.4
197.09613	0.2
199.07567	0.8
201.09003	0.4
201.12727	1.8
201.16354	1.0
203.07043	0.2
204.07822	1.2
205.08578	5.2
205.12172	0.3
206.09021	0.2
211.11134	2.1
211.14711	0.2
214.09842	1.3
215.10793	0.4
217.08563	8.1
218.09241	0.6
219.10039	0.3
229.08641	0.2
229.12236	3.0
229.15839	0.6
229.19501	0.3
230.12964	0.7
232.10905	15.0
233.11215	0.5
247.13257	100.0
247.16809	5.0
248.13570	3.0
248.17494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1325
Annotation	Bullerone
Peak:m/z	Relative Intensity
53.03926	1.0
55.01857	0.6
57.03429	1.0
57.11392	0.7
67.05475	1.0
69.07063	3.4
71.24042	1.0
71.24406	1.5
79.05491	7.2
81.07037	1.9
83.01348	3.7
83.04970	1.0
91.05466	7.3
93.07033	2.0
95.04945	1.3
95.08620	4.5
97.06555	1.1
103.05418	1.1
105.03378	3.7
105.07017	5.4
107.04942	7.7
107.08581	62.4
108.08947	0.7
109.06494	2.9
109.10152	2.0
111.04455	1.4
115.05462	1.7
117.07034	2.4
119.04904	0.9
119.06039	0.9
121.06493	5.0
123.04405	1.9
123.08068	2.4
125.05974	20.7
128.06224	0.8
131.08560	1.9
133.06462	3.9
135.08090	1.2
137.05992	1.3
137.72865	0.7
139.03899	5.0
141.05441	1.1
143.08540	2.2
145.06473	8.4
145.10117	0.8
149.05983	2.3
151.07518	11.8
153.05452	39.5
159.08037	4.6
161.06000	2.7
163.07520	0.9
167.07021	13.7
171.08038	1.8
173.05937	6.1
173.09665	0.7
177.05443	2.2
177.09039	1.2
179.07004	14.0
183.11644	0.8
187.07520	6.2
188.08324	0.8
189.09016	1.3
190.06229	0.7
191.07010	94.6
192.07426	3.4
199.07663	0.7
201.12756	3.7
204.07663	0.9
205.08612	3.4
205.12318	0.9
214.09808	0.9
229.12209	6.0
229.15833	0.9
247.13272	100.0
248.13620	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0961
Annotation	Cordyol C
Peak:m/z	Relative Intensity
53.03938	0.3
55.05498	0.8
57.07071	0.4
67.05491	1.1
69.03408	1.2
69.07053	0.6
71.79655	0.4
79.05460	1.1
81.03423	0.5
81.07034	1.1
83.01322	5.3
83.04967	0.3
85.02916	0.4
85.06534	0.8
91.05472	1.5
93.07013	1.4
95.04923	0.5
95.08596	1.7
97.02865	1.2
97.06492	0.3
105.07006	2.1
107.04934	0.4
107.08578	1.9
109.06497	0.6
109.10153	0.5
109.11649	0.3
115.05383	0.4
117.07005	1.8
119.08553	2.0
121.06487	2.3
121.10097	0.7
123.08049	0.4
127.03825	0.3
128.06178	0.4
129.06998	0.6
130.07787	0.5
131.08543	2.8
132.05669	0.4
133.06468	0.6
133.10106	1.7
135.08041	3.0
135.11662	0.4
137.06029	0.5
143.08566	0.9
145.06470	1.1
145.10107	3.8
147.08002	0.7
149.05965	0.7
149.09596	0.7
155.08545	0.9
157.10118	0.6
158.07301	0.3
158.10957	0.4
159.08018	0.6
159.11690	2.0
160.08768	0.3
161.05943	0.8
161.09596	0.5
163.07520	3.1
163.11159	0.8
171.07919	0.3
171.11656	0.4
173.05954	0.4
173.09563	2.1
173.13220	0.9
175.03886	0.7
175.07559	1.3
176.08328	1.3
177.05444	3.3
177.09105	1.4
185.13289	0.5
186.06709	0.5
186.10359	0.6
187.07603	0.5
187.11116	0.8
187.14801	3.9
189.05392	0.6
189.09081	0.4
191.06984	3.2
191.10651	6.1
201.09050	2.4
201.12746	0.8
201.16388	1.1
204.07808	2.8
205.08600	0.7
205.12233	0.4
206.05670	0.4
207.06480	0.6
217.04942	0.5
219.06526	4.2
219.10075	1.9
229.08620	1.1
229.12209	1.2
229.15857	1.1
231.06544	0.8
232.07256	0.8
247.09625	100.0
247.16745	6.2
247.24413	1.6
248.10091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.8
69.03397	0.3
70.06977	2.2
81.03378	0.6
82.99825	0.7
86.99310	0.7
97.02859	1.4
98.97540	1.2
101.00857	6.7
102.00917	0.5
102.96848	1.9
103.00585	1.0
103.02402	0.4
105.00320	0.5
113.00842	0.7
115.02368	0.9
116.98591	1.1
119.01901	25.3
120.01978	2.2
120.97896	1.6
121.01651	5.0
127.03894	0.4
129.03914	0.5
131.01884	6.3
131.05576	0.4
133.03413	1.9
134.99658	0.9
136.99588	0.4
137.02933	6.1
138.03043	0.7
138.98885	1.2
139.02666	1.3
142.03442	1.1
143.01871	7.9
143.03613	0.5
145.03430	4.2
147.01323	1.4
147.04973	0.4
149.02925	1.2
149.06602	0.7
151.04430	0.5
155.01837	2.3
157.03441	7.1
159.01378	0.4
161.02937	32.9
162.03049	1.0
163.04517	0.9
167.01854	0.6
169.03369	0.6
173.01485	0.5
173.02943	7.2
175.04507	7.1
177.00909	1.0
177.02513	0.8
178.01007	1.1
179.00676	20.2
179.03944	2.6
180.00806	0.7
180.04149	1.3
184.04471	1.3
184.99734	0.5
185.02937	8.4
187.04521	2.8
190.50375	0.6
191.03981	2.3
195.03667	0.6
197.03020	1.8
199.04483	1.6
199.50055	0.5
202.02309	0.3
203.00790	0.9
203.02158	0.8
203.03972	13.6
205.05597	0.7
207.82028	0.4
207.97061	0.4
215.04048	2.6
216.95268	0.8
217.05576	0.9
219.01915	1.0
219.03828	3.0
220.02034	0.6
221.01736	25.0
221.05132	1.5
222.02045	1.5
222.06120	0.6
226.05469	0.6
227.00598	2.0
227.03889	1.6
233.05104	2.6
239.97012	0.7
244.03371	0.6
245.01833	6.7
245.05023	18.1
245.12305	1.2
256.96640	0.5
261.03088	0.9
263.02826	100.0
264.03101	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	246.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49242	0.3
55.01868	0.7
55.05492	1.2
56.05008	0.3
56.05818	0.3
56.96550	0.5
57.03414	0.4
67.05492	0.5
68.04990	0.4
69.03415	0.9
69.07035	0.6
70.06580	15.3
71.04969	0.4
71.78165	0.3
72.08149	0.5
72.37787	0.3
72.93780	0.5
73.02895	0.5
79.05457	0.7
81.03394	0.5
81.07024	1.1
84.04494	0.6
84.08128	2.6
85.02885	1.0
86.09704	1.7
88.07575	0.6
90.94790	0.4
95.08582	1.0
96.08120	1.0
96.08925	1.4
97.02875	0.4
97.06515	1.1
100.07600	0.9
103.05478	0.4
105.07037	0.3
109.02847	0.5
110.02322	0.4
113.02384	0.3
114.05460	0.4
114.09191	0.6
114.09971	0.7
115.03911	0.3
124.02918	0.3
124.11212	13.6
126.05460	0.4
127.03936	0.3
128.03389	0.6
128.07042	0.7
130.06467	0.6
130.08572	0.4
132.10167	0.6
132.64500	0.3
138.12740	0.4
142.12254	0.8
156.13853	2.3
158.99652	0.3
166.08598	0.3
167.97116	0.4
170.11737	100.0
171.12140	0.6
174.03978	0.9
175.03877	0.4
177.02113	0.3
182.06209	0.3
184.13286	2.4
189.08995	0.3
195.03308	0.3
200.09094	0.4
202.14441	1.0
214.14362	2.1
228.12230	0.7
228.16063	0.4
246.05208	0.3
246.07874	0.6
246.13167	1.1
246.17110	0.8
246.24292	0.7
247.06021	1.7
247.09622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37378	6.0
54.87363	6.1
60.08143	5.7
62.91957	6.2
65.80518	6.1
70.06577	7.3
71.78208	10.9
72.08131	14.1
77.99174	5.9
85.69518	6.6
90.69542	6.8
94.92986	28.4
101.00850	20.9
104.10725	100.0
114.09138	26.5
115.09505	7.6
116.98499	6.8
119.01897	53.7
131.01917	14.1
143.01871	15.7
145.03384	13.4
155.01831	11.7
157.03436	15.6
161.02925	47.7
165.54034	6.8
173.02922	25.8
175.04521	11.5
185.02872	33.2
197.02959	19.9
203.03966	15.5
215.03932	9.6
218.92215	15.7
233.84781	7.0
244.90175	23.4
245.00572	14.6
245.04964	40.5
245.08838	12.8
245.14880	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	244.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.5
61.66467	0.3
71.44966	0.7
71.45297	0.3
96.08098	2.4
98.97561	1.2
101.00857	4.3
102.00928	0.6
102.96870	0.4
114.09164	2.2
116.98600	1.2
119.01904	27.6
120.01989	3.9
120.97868	0.4
121.01627	1.3
130.02917	0.3
131.01886	1.7
133.03470	0.3
134.99651	0.9
135.99956	0.6
137.02930	10.1
137.03951	0.7
138.02975	1.6
138.98811	0.3
139.02553	0.4
142.03477	3.7
143.01869	1.9
152.39433	0.3
155.01859	0.5
157.03435	1.2
159.99962	0.5
160.04465	1.9
160.99710	0.4
161.02939	11.2
173.02953	1.2
175.04424	1.6
177.00923	3.0
178.01022	18.5
179.00667	4.3
179.03986	9.8
179.05249	0.3
183.99986	0.5
184.04552	1.4
185.02914	1.7
191.04025	0.7
194.04114	0.6
196.02008	0.5
198.07973	0.9
199.04454	0.4
201.02477	0.4
202.01041	1.1
202.05585	1.6
203.00778	0.6
203.03981	2.9
203.05649	0.5
215.03989	0.4
216.09045	0.7
218.04117	2.4
219.01904	2.5
220.02089	24.4
221.01736	7.4
221.05048	0.9
226.00908	1.8
244.02000	6.9
244.08546	2.4
245.01860	1.0
245.05052	2.1
262.03165	100.0
263.02820	15.7
264.03500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1011
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
55.01849	0.2
55.05493	0.9
57.03431	0.5
67.05482	0.3
69.03412	2.2
69.07052	0.2
69.46233	0.2
71.04974	0.4
71.78893	0.2
79.05479	0.4
81.03386	0.4
81.07026	0.5
83.01331	1.3
83.04966	2.8
85.02885	1.0
86.18304	0.2
91.05466	0.7
93.07004	0.4
95.04966	0.6
95.08595	0.5
97.02886	1.6
99.04428	0.4
105.07011	0.8
107.08547	0.3
109.02815	0.3
111.04429	2.3
113.02252	0.3
115.03900	0.5
119.08588	0.4
120.38910	0.2
121.72775	0.3
123.04356	0.5
123.43510	0.3
128.06152	0.4
129.05444	0.3
129.06976	0.3
131.08524	0.8
133.06483	0.3
133.10066	0.4
139.03873	1.0
141.07043	0.4
145.10132	0.5
151.07539	0.3
154.07687	0.6
155.08508	0.3
157.10147	0.3
159.08054	2.3
159.11647	0.8
169.10085	1.4
172.08728	0.5
173.09601	0.7
173.13229	0.5
179.08516	1.5
183.08005	3.3
183.11595	0.4
187.07521	13.4
187.11147	0.5
197.09628	1.2
205.08493	0.6
214.06094	0.7
215.07213	2.5
215.10637	11.2
225.09087	12.1
226.09482	0.4
227.06975	1.8
228.05435	0.4
228.07762	12.4
243.10133	100.0
243.21167	1.7
244.10429	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1589
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
52.26321	1.0
52.98834	1.3
53.03933	2.0
55.01859	4.0
55.05507	13.1
57.03436	18.7
57.07078	3.1
63.87691	1.2
65.03925	2.9
67.05498	76.0
67.29193	1.1
69.03421	8.7
69.07059	11.9
71.04987	8.4
71.79762	2.0
72.05326	1.3
74.60726	1.3
75.04488	1.5
79.05482	19.8
81.03416	2.3
81.07047	60.9
83.04980	20.8
85.02898	2.5
85.06515	5.6
91.05470	29.7
93.06496	2.3
93.07037	28.3
95.04968	8.8
95.08601	9.0
97.02895	1.4
97.06517	5.9
98.52007	1.2
99.04460	1.6
105.07018	46.8
107.08584	41.2
109.06505	6.8
109.10149	46.4
111.04470	1.9
111.08080	1.1
113.05981	2.5
119.08588	4.6
120.23621	1.1
121.10149	2.8
123.08048	3.4
123.11700	15.4
125.09627	1.6
127.07527	2.9
128.84282	1.3
129.05467	4.3
131.08554	5.1
133.10115	100.0
134.10437	2.8
135.11758	1.1
139.03917	1.2
141.05476	1.6
145.10091	1.3
147.11690	2.0
151.11166	69.2
155.08505	2.1
157.10092	1.9
159.11694	3.5
161.13155	1.6
169.04967	2.9
169.10112	1.7
169.12238	11.1
173.13332	3.1
178.22845	1.4
183.08063	1.7
183.11667	1.7
185.13223	1.6
197.13309	1.7
201.09099	2.3
201.16356	1.4
225.14717	10.0
243.06522	2.7
243.10118	5.1
243.13606	2.2
243.15919	7.9
243.17676	4.1
243.21107	7.8
244.09648	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	243.086
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03932	4.2
55.01849	2.6
55.05499	1.4
56.96566	2.0
57.03420	5.2
57.07072	1.4
61.02912	12.8
65.03925	9.7
67.05494	5.7
69.03427	5.5
69.07063	2.2
70.06565	6.5
70.56919	4.4
72.08141	2.0
73.02914	1.3
79.05482	10.0
81.03409	4.2
81.07049	9.0
82.04198	2.0
83.04999	1.2
84.04506	2.8
84.08138	4.0
85.02907	8.1
86.09693	7.0
91.05473	17.5
93.03399	1.7
93.07049	2.6
94.04135	2.7
95.04956	20.1
95.08571	3.6
97.02870	4.0
97.06516	3.6
98.20802	1.1
98.97583	2.8
99.04435	2.0
99.08096	1.8
103.05492	2.2
105.03388	3.7
105.07026	2.1
107.04949	7.7
107.08595	1.3
109.02859	3.1
109.06501	19.0
109.10118	2.4
110.03650	3.8
111.00848	1.2
111.04430	3.8
111.08119	1.6
114.09153	1.4
116.07096	1.2
116.98592	2.5
119.04952	7.4
121.02856	1.7
121.06526	1.9
123.04400	18.6
123.08055	1.9
125.02313	6.6
125.05974	3.7
126.03127	1.7
127.03905	2.4
129.10182	2.0
132.76025	1.3
133.02814	10.7
134.55315	1.1
134.99585	1.4
135.04413	5.2
137.05971	23.1
138.03113	1.6
139.03888	2.1
140.04662	100.0
141.05473	9.9
141.06975	2.0
145.06505	2.0
147.04399	7.1
149.02371	1.9
149.09624	1.8
151.03894	1.7
151.07484	1.9
152.04643	2.3
153.05424	2.7
155.07010	96.1
158.05945	1.2
158.99585	1.4
163.03871	5.0
165.01868	2.1
165.05464	20.9
165.48732	1.1
166.12271	1.2
167.07037	3.3
169.04950	17.7
171.06528	4.8
173.08107	8.8
177.00713	2.6
179.07021	13.1
180.04163	24.8
181.04935	77.1
182.05388	1.5
183.06537	6.0
184.03629	1.8
184.05168	1.3
184.13338	3.2
193.04958	29.9
193.06613	2.2
193.07870	1.2
195.06511	15.0
195.91148	1.0
197.05981	3.5
197.08073	12.5
207.06499	32.1
207.13690	1.5
211.05969	1.4
211.15588	1.8
214.08554	1.6
215.07019	2.8
220.50577	1.1
225.05345	2.2
225.07550	32.4
225.17082	3.8
226.84531	1.4
231.05312	3.0
243.06459	4.4
243.08492	22.8
243.13692	1.6
243.18132	5.4
243.23476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01857	0.6
55.05497	1.0
57.03152	0.6
57.03424	6.9
57.07069	9.1
65.03910	0.6
66.85224	0.3
67.05489	0.6
68.74979	0.4
68.99783	1.3
69.03413	1.2
69.07035	0.6
69.80121	2.9
70.06584	0.6
71.04976	0.7
72.08144	0.6
73.62038	0.4
75.04457	2.4
79.05470	0.9
81.03398	4.7
81.07030	0.7
83.04939	0.8
84.04482	1.5
85.02879	1.4
85.06532	6.0
86.09685	2.1
91.05450	0.9
93.06984	0.4
95.01318	1.7
95.04946	1.4
95.08600	0.4
97.06474	0.4
98.03644	1.0
98.97566	0.8
99.04414	0.6
105.07027	0.7
107.04944	0.4
107.08533	0.5
109.02863	18.4
109.06487	0.6
109.10170	0.7
111.00779	5.2
111.04420	2.4
113.02290	0.4
113.05994	0.5
116.98583	0.6
119.04897	0.5
119.06059	0.5
121.10062	0.5
121.43021	0.3
122.63317	0.4
123.04345	0.5
124.01546	0.6
125.02296	0.5
125.05961	0.5
126.03117	14.5
127.03875	1.2
135.04396	0.7
137.05960	0.7
137.43143	0.4
140.04651	0.5
141.01825	6.0
141.05444	52.5
142.05759	0.5
149.02336	1.2
154.02591	0.9
155.03407	2.1
169.04941	100.0
172.08957	0.4
183.08006	0.5
193.04825	0.4
211.05956	7.4
211.07791	0.5
215.06961	1.0
223.08954	0.5
225.07497	0.6
243.06487	1.4
243.08565	8.6
244.06232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	3.7
57.03438	2.3
61.02919	7.0
63.10133	0.5
67.05493	0.8
68.05025	2.0
69.03432	1.1
69.79555	3.8
69.79890	0.4
71.04990	0.6
72.08144	0.6
73.02908	2.6
73.98003	0.5
78.40221	0.5
79.05479	2.0
80.05000	0.6
80.41288	0.5
81.03387	0.5
81.05794	1.5
81.70123	0.5
82.06583	1.7
82.99828	0.7
83.04980	1.2
84.08125	2.4
84.96030	0.7
85.02898	4.5
89.63685	0.5
94.06549	1.7
96.08121	69.0
97.02888	2.1
98.09698	0.6
98.97565	6.5
99.04479	0.6
100.02499	0.5
101.00858	3.6
104.10733	2.2
105.11054	1.2
109.02801	0.5
110.01283	0.9
110.97571	1.3
113.02332	0.6
114.09156	96.7
115.02436	1.1
115.09469	0.6
116.77364	0.6
116.98615	2.5
118.01057	0.6
119.01899	17.9
120.02037	0.5
127.03882	1.1
128.02301	3.4
128.98602	1.3
131.01857	1.3
133.01627	0.5
133.03455	9.7
134.99643	1.2
137.02933	5.6
142.08601	7.4
143.01857	0.5
145.01485	0.5
145.04823	0.7
146.99608	0.8
149.02948	0.6
150.01759	0.6
151.04518	4.1
154.07117	1.1
158.99669	1.2
161.02882	1.9
161.05518	0.7
162.01698	1.0
169.02583	0.7
170.99637	1.4
171.04968	0.7
172.08151	3.1
173.02946	1.2
175.01031	0.5
175.04524	6.2
177.00769	1.1
177.02287	0.6
178.03142	0.8
183.02362	1.3
185.02934	0.9
187.00911	1.0
188.97110	0.6
189.00726	1.4
189.02376	0.6
189.03961	0.8
189.05821	0.5
192.02856	2.5
193.00212	0.8
193.05600	0.9
196.00934	0.8
196.08171	32.7
197.08464	0.9
200.07645	11.1
200.09505	0.7
201.00621	1.1
201.02359	5.9
201.06027	1.0
207.01819	0.6
213.03362	4.8
214.09225	41.9
217.00078	0.5
218.08737	7.0
219.01663	1.8
219.03499	12.3
219.06946	0.8
222.03864	2.2
224.07677	0.6
228.03508	0.7
237.02791	1.8
237.10774	2.4
242.08708	100.0
242.15593	2.7
243.08875	2.0
257.85986	0.6
260.09811	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	241.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83522	0.4
54.16709	0.5
54.98626	0.6
56.96558	14.3
61.69701	0.5
70.18998	2.1
71.04530	0.5
71.95251	2.3
87.59331	0.5
93.17616	0.5
98.97569	100.0
116.98605	84.1
119.01891	1.8
134.99640	45.6
137.02911	0.5
140.00175	3.8
142.03490	1.2
148.04074	0.5
153.00705	6.1
158.01231	7.0
169.10060	0.6
176.02246	1.3
177.00713	8.5
192.98711	0.7
195.01741	5.3
203.96980	1.0
213.06189	0.5
215.47754	0.9
216.98677	0.9
219.01926	3.0
234.99850	0.6
240.98636	2.3
258.96594	1.7
258.99719	24.4
259.99988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
55.05484	2.6
56.81064	1.0
56.96296	1.7
56.96556	25.7
57.03435	5.8
57.40564	1.1
58.06311	1.3
58.06588	14.3
58.99821	1.4
61.02919	13.5
65.25897	1.1
68.99773	1.5
69.03407	4.1
69.07055	1.2
69.46642	8.0
69.47058	3.8
70.06573	3.7
70.98109	5.3
71.01344	1.4
71.04965	1.9
72.08131	2.5
73.02913	11.2
79.80156	1.1
81.03410	2.7
84.08132	9.6
85.02890	12.7
88.99118	2.2
92.02499	1.2
96.01585	1.3
96.08119	2.9
97.02875	3.7
97.96748	1.3
98.09654	1.5
98.20673	2.1
98.97572	42.1
99.18166	1.2
101.00859	2.2
102.00943	2.1
106.00999	1.1
110.97548	2.6
111.00214	2.6
114.09136	3.5
115.02422	1.4
116.98603	30.7
117.00219	1.2
117.01840	5.0
118.00995	3.9
119.01904	10.1
119.03446	2.4
120.00728	2.1
120.02041	4.6
121.01679	2.4
125.02647	1.4
126.00744	2.7
127.01537	6.9
127.02281	1.2
127.03911	2.3
128.10678	3.1
128.98584	4.5
129.00179	1.2
130.08614	1.9
131.01877	3.8
132.00722	1.2
133.01538	4.1
133.03419	4.2
134.03586	3.4
134.99628	17.9
135.01237	1.6
136.06177	1.7
137.02930	1.7
138.99754	1.7
140.00180	2.8
141.01215	2.0
143.01938	2.1
145.01605	1.3
145.03471	1.8
146.99582	5.6
147.01279	2.1
147.05757	3.2
150.01764	5.3
150.02849	1.4
152.00407	1.2
152.07071	2.1
153.00734	1.8
156.01767	4.4
157.02429	1.5
158.01245	4.6
158.99634	3.7
160.00130	2.0
160.02899	1.8
161.01208	2.1
161.02893	4.7
163.02617	1.0
165.00674	3.3
168.01740	1.3
169.00763	2.7
172.97577	7.0
173.01108	1.4
173.02896	2.4
174.99203	1.6
175.00847	2.5
176.00967	4.1
177.00677	11.8
177.02298	2.5
181.00671	4.5
189.00716	2.0
190.01254	27.7
190.51428	2.8
190.98610	14.9
191.02209	2.4
193.00270	1.3
195.01747	3.3
196.01195	2.0
196.08171	1.6
196.09679	5.6
199.01772	13.3
200.02399	1.3
201.02403	2.5
201.52103	2.0
203.02132	1.4
205.39774	1.1
208.99678	3.2
212.02563	5.6
217.00105	2.8
217.01987	2.5
218.02095	6.5
218.98146	1.7
219.01669	3.0
219.03523	1.5
220.05969	2.0
232.02354	1.7
232.99733	1.8
236.03123	1.7
237.02682	2.5
241.11380	4.2
241.15437	100.0
242.08679	4.0
242.15892	1.6
258.99747	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03452	3.0
55.01862	2.8
55.05497	8.0
56.05005	3.7
57.03411	5.9
57.07056	5.1
65.03929	2.2
67.05492	19.5
68.05025	14.6
69.03416	1.6
69.07063	9.7
70.06589	7.0
70.06903	1.3
70.13427	6.7
71.05383	1.0
72.04506	3.4
72.08146	2.7
80.04980	5.4
81.07031	5.2
82.02907	5.5
82.06561	2.9
84.04493	16.5
84.08117	4.1
85.06536	9.3
93.05766	2.6
93.06994	2.2
94.06555	4.7
95.04945	3.8
95.08575	2.7
96.04477	20.8
98.06047	1.8
100.03963	25.7
108.08106	20.2
110.08936	2.2
110.09665	38.3
112.03951	7.0
113.05986	10.2
120.08074	6.2
122.09646	32.9
126.06593	2.5
126.09135	4.2
128.03423	17.7
136.07535	2.1
138.09119	100.0
140.03409	19.3
140.10648	3.5
146.89549	1.2
148.07533	4.3
150.09116	40.3
154.08607	99.6
166.08604	28.0
168.10185	31.7
182.08110	28.2
184.09673	18.3
194.08101	25.5
196.09618	8.9
212.09146	29.5
236.99290	1.3
240.08624	54.5
240.19676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2001
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.35482	0.8
53.03941	0.8
55.01865	2.1
55.05498	17.8
57.03432	2.1
57.07064	5.2
59.04985	1.8
67.05495	15.0
69.03426	1.6
69.07056	19.8
70.91074	2.5
71.04979	10.1
71.08605	0.9
79.05479	4.8
81.03436	1.0
81.07040	30.3
83.04964	29.9
83.08601	7.2
85.06030	1.0
85.06532	19.5
85.10155	1.1
89.06011	1.4
91.05453	5.8
93.07022	15.2
95.04962	2.2
95.08591	33.6
97.06511	3.2
97.10181	3.2
99.08090	2.8
105.07018	18.3
107.08572	20.0
109.06485	4.2
109.10136	22.5
109.10846	1.4
111.08078	3.5
111.11720	0.9
113.09653	3.7
119.08559	16.0
121.10114	13.1
123.08064	2.8
123.11678	12.1
125.09663	2.5
125.13262	1.1
127.11198	2.9
131.45290	0.8
133.10092	11.8
133.10983	1.1
135.11647	8.4
137.09624	3.1
137.13225	6.7
139.11209	2.7
145.10147	1.3
147.11664	18.8
149.13281	2.7
151.11140	5.3
151.14810	1.7
153.12784	2.4
159.11778	1.2
161.13225	13.3
163.14792	14.1
165.12726	5.9
175.14842	3.0
177.16377	2.4
179.10667	2.0
179.14363	2.6
190.17670	0.8
193.15872	1.6
193.19667	0.9
203.17920	39.0
209.15454	1.1
211.07430	0.9
215.82207	0.8
220.17068	0.9
221.15437	5.8
221.18964	100.0
222.19341	2.1
225.91225	0.9
238.68175	1.1
239.08932	1.1
239.16150	1.9
239.20111	29.0
239.68916	1.2
240.78020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01858	0.6
55.05503	4.3
57.03426	1.2
57.07066	6.9
67.05493	14.2
69.03397	2.3
69.07054	4.8
71.04984	2.0
71.79266	0.7
77.81960	0.5
79.05482	2.5
81.07047	10.2
83.04967	4.1
83.08604	2.0
85.06530	100.0
86.06861	0.7
89.06027	0.7
91.05464	2.1
93.07038	4.2
95.04944	1.7
95.08588	9.0
97.06493	0.8
97.10168	0.9
99.08080	1.7
105.07024	5.6
107.08575	9.0
109.06508	1.0
109.10142	7.3
111.04408	1.5
111.08087	2.1
113.05981	1.1
113.09643	0.9
119.08579	4.8
121.06477	0.7
121.10114	4.9
123.08075	1.0
123.11684	3.9
125.09601	3.6
133.10104	2.9
135.11687	2.0
137.09569	1.2
137.13228	2.0
143.08475	0.5
145.10115	0.6
147.11662	5.9
151.11186	0.9
153.05540	0.5
157.05003	0.5
159.11659	0.5
161.13242	4.2
163.11105	0.6
163.14796	5.3
165.12767	2.0
169.10123	1.1
175.14825	0.9
177.16354	1.3
179.10657	0.7
183.11707	1.2
191.94226	0.5
193.15857	0.6
197.13229	0.9
202.22795	0.5
203.17923	8.9
220.16989	0.8
221.15437	2.1
221.18999	19.2
230.18561	0.5
238.17975	0.8
238.68210	1.5
239.07036	0.7
239.09116	1.3
239.14499	0.8
239.18134	2.1
239.20155	14.0
240.19545	2.6
240.60149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.75111	1.8
55.05501	21.2
57.03418	2.6
57.07056	17.9
59.04986	3.5
67.05499	24.7
67.37418	2.0
69.03410	3.2
69.07056	45.4
69.54877	3.1
69.55279	15.3
70.06580	4.1
71.04975	10.8
71.08608	2.5
73.02895	2.1
79.05475	18.0
80.21288	1.8
80.75153	2.3
81.06592	3.7
81.07043	53.4
83.04972	18.8
83.08608	16.1
85.06529	39.2
89.06030	3.7
91.05446	16.6
93.07026	33.1
94.73432	1.7
95.04945	4.9
95.08592	53.6
97.06493	6.2
97.10146	6.4
98.21394	4.0
99.08070	7.8
105.07011	60.1
107.08572	67.9
108.08134	3.2
109.06520	10.4
109.10135	44.7
111.08082	7.3
113.09625	6.4
119.08562	36.4
121.10123	24.1
123.08045	5.4
123.11692	21.8
125.09563	4.8
125.13248	5.5
127.11179	3.8
131.08586	1.9
133.10107	26.4
135.11647	11.8
137.06010	2.2
137.09576	6.9
137.13255	13.8
139.11162	12.1
145.10114	3.8
147.11659	67.5
149.13225	5.2
151.03906	4.7
151.11191	11.8
153.12735	6.4
157.10173	2.8
161.13251	37.3
163.11151	2.9
163.14793	43.2
165.07011	1.9
165.12714	9.3
169.12309	1.9
175.11131	1.8
175.14827	4.8
177.16383	4.2
183.08192	2.1
193.15601	1.8
197.05992	2.3
203.17917	86.2
204.18266	5.0
220.16959	3.0
221.11835	4.1
221.15321	5.5
221.18968	100.0
222.19026	2.2
238.17987	2.1
238.68298	4.5
239.06966	6.5
239.09158	3.7
239.11870	9.9
239.17955	4.0
239.20314	36.6
239.68965	5.8
240.12173	2.8
240.19629	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	239.2001
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.77528	2.6
54.10172	2.4
55.05499	36.2
57.03415	5.7
57.07064	19.9
59.04991	25.6
60.04544	2.9
66.89349	2.9
67.05491	21.6
69.06725	4.0
69.07059	38.6
69.86797	18.6
69.87208	5.6
71.04982	9.0
71.08627	2.5
79.05467	10.8
80.09656	2.5
81.07042	86.6
83.05000	4.4
83.08604	24.7
85.06521	8.8
91.05457	8.4
93.07027	30.7
95.08589	100.0
97.06483	9.4
97.10144	19.6
99.08099	5.8
101.84742	2.9
105.07005	18.4
107.08578	50.8
109.06522	7.4
109.10142	46.0
111.08059	9.0
111.11677	18.8
113.09585	3.6
115.07565	7.3
117.07079	3.2
119.08571	28.6
121.10125	36.1
123.08060	3.5
123.11688	43.6
125.09610	10.3
127.11160	4.4
132.25507	2.7
133.10115	35.7
135.11673	62.0
137.13228	80.7
139.11147	20.1
143.10658	13.5
145.10115	4.0
147.11655	30.6
149.13234	17.0
151.11159	10.1
151.14734	3.7
157.12183	4.8
161.13245	15.8
163.14761	27.2
165.12712	9.8
175.14777	5.5
177.16406	9.5
193.19469	8.0
203.16124	5.6
203.17926	77.7
221.18997	70.3
227.81898	2.7
239.11858	4.3
239.17990	3.9
239.20038	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	239.1639
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.85056	1.1
53.01790	1.0
53.03938	1.9
55.01860	2.7
55.05263	1.7
55.05504	22.0
57.03424	19.9
57.07058	4.6
59.04271	1.0
59.04998	5.4
59.73006	1.1
65.03932	2.1
66.93693	1.3
67.05499	18.0
69.03409	5.7
69.07055	11.9
69.63689	1.1
71.01320	1.9
71.04972	9.4
71.08614	2.4
71.79465	1.1
71.79902	1.4
79.05478	8.8
80.87020	1.0
81.03417	3.0
81.07043	21.9
83.04967	100.0
83.08595	5.2
84.05304	1.7
85.02885	5.5
85.06532	5.5
85.10167	1.1
89.06010	4.4
91.05463	13.5
93.07030	77.4
93.59044	1.1
95.04952	23.8
95.08598	20.8
95.16885	1.1
96.08121	1.2
97.02848	2.7
97.06501	6.7
97.10147	2.1
99.04442	8.7
99.08057	1.0
103.05413	1.2
105.07015	14.9
107.04910	1.8
107.08576	32.3
109.02855	4.4
109.06512	8.2
109.10131	11.4
111.04430	26.9
111.08059	3.1
113.05314	1.7
113.05990	9.3
117.07009	2.1
119.08557	26.3
119.84942	1.2
121.06490	6.7
121.10123	17.9
123.04404	1.9
123.08053	6.3
123.11668	4.9
125.05932	3.3
125.09589	1.7
127.03881	9.7
129.06989	1.6
131.04808	1.3
131.08492	1.2
133.06526	1.2
133.10118	14.8
135.04404	3.3
135.11670	97.2
137.05022	1.2
137.05980	4.5
137.09624	9.7
137.13229	3.3
139.07515	2.6
141.05429	1.7
145.10091	2.2
147.08038	3.3
147.11653	6.1
149.05975	2.4
149.13191	7.5
151.07523	3.8
151.11153	2.1
153.05460	11.2
153.09076	3.5
155.08528	1.7
157.04958	10.9
157.10130	1.2
161.06024	1.6
161.09605	3.2
161.13254	1.7
163.11156	2.6
165.09079	3.0
169.10086	3.2
175.07521	2.0
175.14798	53.9
177.12793	2.1
177.16353	1.9
179.07062	2.0
179.10626	2.5
183.11682	3.4
185.13356	1.1
193.08557	2.7
193.15849	26.9
195.12057	1.7
195.13739	12.1
197.13228	3.3
203.17822	3.2
210.14403	1.3
211.07639	1.2
211.09572	2.8
220.16920	3.4
221.08044	3.7
221.11734	1.6
221.13252	2.3
221.15318	29.8
221.18945	3.2
222.18336	1.2
238.17999	6.2
238.68144	8.8
239.06813	1.9
239.09064	24.6
239.14345	2.7
239.16379	53.3
239.18396	15.5
239.68901	3.4
240.19489	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	239.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85056	1.1
53.01790	1.0
53.03938	1.9
55.01860	2.7
55.05263	1.7
55.05504	22.0
57.03424	19.9
57.07058	4.6
59.04271	1.0
59.04998	5.4
59.73006	1.1
65.03932	2.1
66.93693	1.3
67.05499	18.0
69.03409	5.7
69.07055	11.9
69.63689	1.1
71.01320	1.9
71.04972	9.4
71.08614	2.4
71.79465	1.1
71.79902	1.4
79.05478	8.8
80.87020	1.0
81.03417	3.0
81.07043	21.9
83.04967	100.0
83.08595	5.2
84.05304	1.7
85.02885	5.5
85.06532	5.5
85.10167	1.1
89.06010	4.4
91.05463	13.5
93.07030	77.4
93.59044	1.1
95.04952	23.8
95.08598	20.8
95.16885	1.1
96.08121	1.2
97.02848	2.7
97.06501	6.7
97.10147	2.1
99.04442	8.7
99.08057	1.0
103.05413	1.2
105.07015	14.9
107.04910	1.8
107.08576	32.3
109.02855	4.4
109.06512	8.2
109.10131	11.4
111.04430	26.9
111.08059	3.1
113.05314	1.7
113.05990	9.3
117.07009	2.1
119.08557	26.3
119.84942	1.2
121.06490	6.7
121.10123	17.9
123.04404	1.9
123.08053	6.3
123.11668	4.9
125.05932	3.3
125.09589	1.7
127.03881	9.7
129.06989	1.6
131.04808	1.3
131.08492	1.2
133.06526	1.2
133.10118	14.8
135.04404	3.3
135.11670	97.2
137.05022	1.2
137.05980	4.5
137.09624	9.7
137.13229	3.3
139.07515	2.6
141.05429	1.7
145.10091	2.2
147.08038	3.3
147.11653	6.1
149.05975	2.4
149.13191	7.5
151.07523	3.8
151.11153	2.1
153.05460	11.2
153.09076	3.5
155.08528	1.7
157.04958	10.9
157.10130	1.2
161.06024	1.6
161.09605	3.2
161.13254	1.7
163.11156	2.6
165.09079	3.0
169.10086	3.2
175.07521	2.0
175.14798	53.9
177.12793	2.1
177.16353	1.9
179.07062	2.0
179.10626	2.5
183.11682	3.4
185.13356	1.1
193.08557	2.7
193.15849	26.9
195.12057	1.7
195.13739	12.1
197.13228	3.3
203.17822	3.2
210.14403	1.3
211.07639	1.2
211.09572	2.8
220.16920	3.4
221.08044	3.7
221.11734	1.6
221.13252	2.3
221.15318	29.8
221.18945	3.2
222.18336	1.2
238.17999	6.2
238.68144	8.8
239.06813	1.9
239.09064	24.6
239.14345	2.7
239.16379	53.3
239.18396	15.5
239.68901	3.4
240.19489	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	239.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94062	1.9
53.07253	1.0
55.01838	1.5
55.05489	3.3
55.93509	3.4
56.94276	1.6
56.96552	6.7
57.03427	1.1
57.07050	3.2
67.05478	3.4
69.03400	0.9
69.07051	3.3
70.06564	1.9
70.95850	18.1
71.04957	3.0
71.08597	2.3
71.78790	1.6
72.93772	23.1
74.95337	1.4
79.05462	1.9
81.07047	6.2
83.04954	1.8
85.02872	1.9
85.10136	1.6
88.96880	9.1
89.06001	3.0
90.94283	2.0
90.94805	21.3
91.05442	1.8
92.29058	1.1
93.07008	1.6
95.08575	4.2
97.10133	1.3
98.97527	1.6
105.06972	2.1
106.97932	1.7
107.08594	1.4
108.95839	4.8
109.02858	1.6
109.10084	2.2
111.98442	1.6
113.96358	8.1
118.94282	1.4
121.10167	1.4
123.11708	1.4
124.97024	1.0
125.02320	1.3
128.96313	3.0
130.16042	1.0
130.53758	1.1
131.97415	5.2
132.95818	5.6
133.08534	1.4
133.10152	1.4
134.97371	1.5
134.99686	1.2
135.96915	1.4
136.95282	2.5
142.97835	1.8
144.95810	1.3
146.97357	3.8
146.98311	1.9
150.96870	13.1
153.99469	2.5
155.97412	3.3
156.95828	6.4
159.96935	1.6
162.96834	2.2
165.12665	1.3
166.54652	1.1
170.97351	6.1
172.95314	11.5
173.98473	3.1
174.96864	67.1
184.95317	1.6
188.98416	7.7
190.96371	7.7
192.91048	9.7
192.97929	82.6
193.06668	1.0
195.25716	1.1
195.96962	1.5
197.98457	95.3
198.96849	3.5
202.96317	3.9
203.17761	1.1
209.98442	4.1
210.92140	16.5
215.92656	2.0
215.97339	2.0
215.99521	34.2
216.03040	1.4
216.97928	8.4
220.17110	1.2
221.15157	1.5
227.99597	1.4
230.18114	1.1
233.93739	3.5
234.99008	7.8
238.18042	3.7
238.68143	6.1
239.01140	15.3
239.08865	100.0
239.18463	5.9
239.99437	9.1
240.19496	2.4
251.01096	1.3
258.00589	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	238.1072
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
50.40493	0.3
53.03940	0.5
54.81203	0.3
55.01870	0.6
55.05506	0.8
55.93512	0.5
56.05020	0.5
56.96551	1.2
60.04516	0.7
60.05635	0.4
61.02412	0.3
61.02923	0.5
65.99758	0.4
67.05493	0.8
68.05048	0.6
69.03423	0.8
69.07063	1.9
70.06587	3.3
71.04980	1.1
71.78288	0.5
72.08145	1.9
73.02902	0.9
73.06549	0.7
79.05471	2.8
81.03411	0.8
81.07021	0.6
83.04991	0.4
84.04494	1.1
84.08131	2.9
85.02886	1.2
86.09702	1.7
87.00800	2.0
88.03973	0.9
89.06047	0.5
90.05586	0.5
91.05454	2.9
93.07050	0.6
94.06574	0.5
95.04955	1.4
96.04506	0.5
97.02895	0.5
98.97567	0.7
99.04446	1.5
102.05518	0.4
103.05450	6.0
104.05760	0.9
105.01865	1.2
105.03377	4.3
105.06312	0.8
105.07015	10.0
106.06545	7.5
107.04945	3.6
109.02851	0.7
112.08723	0.4
114.05500	1.2
114.09155	1.0
116.07068	1.1
116.98566	0.9
117.05563	2.7
117.06959	0.4
118.06541	5.4
119.07314	10.3
119.08606	1.1
120.04539	0.4
120.08087	17.7
121.06496	0.8
121.07611	0.8
121.08433	15.3
122.06045	0.7
124.03929	7.0
124.04755	0.7
128.06192	0.9
129.06978	4.7
129.10234	1.6
131.04895	2.4
131.07266	1.3
131.08542	0.4
132.04373	0.6
132.08081	2.9
134.99672	0.4
135.04404	2.4
136.07539	0.6
137.05977	1.0
138.05487	0.9
142.04910	0.5
144.08032	0.9
146.05983	2.1
146.09627	80.2
147.09991	0.9
150.05476	1.0
163.03909	0.4
164.03404	1.9
164.05653	0.4
164.06943	0.8
164.10733	2.0
165.07419	0.4
174.05476	1.4
174.09077	0.8
176.07013	0.5
176.10477	0.4
177.00691	0.5
178.06239	0.4
178.08612	1.2
180.72276	0.4
192.06551	7.1
192.10167	100.0
193.10454	1.2
194.11720	0.5
203.05461	6.5
217.05463	0.4
218.06215	0.5
220.02370	1.7
220.09795	0.6
220.13420	0.7
220.17696	1.1
221.66226	0.4
238.06921	0.9
238.10701	23.4
238.14246	1.9
238.18002	1.1
238.22267	0.7
239.09131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96415	0.8
53.03933	1.8
54.49823	0.8
55.01870	1.0
55.05489	1.4
56.05020	0.8
56.61751	0.7
56.96559	4.6
57.03419	4.6
69.03426	1.3
69.07041	2.4
70.06588	7.3
70.60234	3.2
71.04984	8.4
71.06919	1.2
72.08133	3.8
73.06544	1.4
74.06069	0.8
79.05463	3.6
79.76478	1.0
81.03397	3.0
81.07056	1.0
83.04975	1.3
84.04491	2.1
84.08145	6.3
84.28792	0.9
84.29288	0.9
85.02882	2.9
85.08444	0.9
86.09678	3.7
86.99126	1.0
87.00819	30.2
87.04436	1.1
89.06019	13.5
91.05408	1.3
95.04939	1.4
96.08079	0.9
97.02885	1.6
98.20663	1.1
98.97583	4.0
99.04444	19.4
103.05461	2.6
105.01864	18.6
105.03336	4.9
105.07037	1.1
106.06542	10.1
107.04930	2.8
109.02863	1.0
111.04406	0.9
114.05502	2.1
114.09158	5.7
116.98583	3.0
117.04700	1.5
117.05475	19.9
118.06477	1.2
120.08102	5.6
121.08434	5.9
124.03961	1.7
126.09202	1.0
127.03893	1.9
128.98538	1.1
129.10216	3.2
131.04893	1.5
132.04414	1.8
134.99512	1.1
135.04399	2.8
138.05489	1.2
142.04990	1.8
143.03371	2.3
146.02342	1.0
146.05896	1.8
146.09601	7.8
147.06290	1.7
147.07999	0.9
148.03870	1.0
150.05411	1.1
151.07507	3.3
157.05005	4.4
158.99554	1.4
163.04005	1.0
164.03387	8.6
164.06937	1.1
169.81126	0.9
172.95238	1.5
174.05560	1.4
175.06021	5.1
177.00650	1.4
177.07816	3.4
178.08560	2.3
192.02904	3.6
192.06529	6.5
192.10172	28.4
203.05484	100.0
220.02388	9.9
220.17812	1.0
238.07056	1.9
238.10789	12.7
238.14377	3.6
238.18079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03705	0.2
53.03939	2.8
55.01852	0.5
55.05491	0.4
56.96563	0.2
57.03436	0.2
67.05475	0.2
69.72913	1.2
70.02934	0.5
70.06576	0.6
70.10429	0.1
72.08138	0.7
73.02890	0.9
74.02432	1.0
75.36488	0.2
77.03897	0.8
79.05466	0.8
79.11623	0.2
81.03397	0.6
81.07047	0.3
81.61120	0.2
84.04478	0.3
84.08141	0.7
85.02881	0.2
85.06518	0.3
86.06068	0.2
86.09694	0.7
87.04482	0.9
88.03431	0.4
88.03979	7.7
91.05476	0.4
93.07050	0.2
94.02938	0.2
95.04955	7.0
97.02878	0.9
103.05443	0.3
105.03378	100.0
106.03719	0.8
106.06545	0.4
109.02842	0.5
114.05493	0.3
116.03441	2.5
118.31997	0.2
120.08099	1.1
121.02868	0.2
122.06033	0.7
123.04413	1.7
124.03962	0.3
129.10201	0.4
130.60884	0.2
131.04944	0.2
132.05339	0.3
133.24409	0.2
136.06160	0.8
137.06020	0.2
146.09592	0.2
149.05577	0.3
164.08057	0.3
174.12764	0.6
184.44769	0.2
192.06494	2.0
192.10260	0.7
192.13855	0.4
193.13254	0.2
197.08092	0.2
202.04997	0.2
207.04994	0.2
220.06036	2.9
220.09746	0.7
220.13596	0.3
220.17741	0.3
238.05119	0.3
238.07144	1.4
238.11082	0.8
238.12723	0.3
238.14532	0.6
238.18115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
51.33700	1.4
53.03928	2.7
55.01860	2.5
55.05504	15.2
57.03406	2.2
57.07054	6.9
59.04977	2.6
61.02916	2.6
67.05499	23.2
69.03410	2.8
69.07064	17.4
71.04967	5.8
71.79487	2.6
77.86462	1.5
79.05480	19.6
81.03400	5.3
81.07046	49.9
81.07526	2.7
83.04963	9.5
83.08620	10.6
85.06531	5.9
87.68629	1.8
91.05468	15.2
93.06499	2.7
93.07037	38.9
95.04937	4.2
95.08598	47.5
97.06509	8.6
97.10155	4.7
99.04430	2.3
101.06039	2.1
105.07014	21.7
107.08581	61.7
109.02885	2.5
109.06499	6.6
109.10145	42.2
111.04445	2.3
111.08080	11.9
117.06998	3.2
119.08569	25.9
121.06479	6.3
121.10127	56.1
123.08070	6.8
123.11696	39.4
125.09605	8.4
127.07522	2.6
131.08553	6.4
133.10103	19.9
135.08026	6.0
135.11693	12.8
137.09584	3.9
137.13191	4.7
139.11168	1.8
145.10098	15.5
147.11655	4.5
148.07602	2.0
149.09607	11.6
149.13208	5.6
151.11172	1.9
153.09062	2.4
153.12604	1.9
157.83965	1.8
159.11697	24.2
161.13243	33.7
163.07523	2.0
163.11163	19.6
163.14725	2.0
167.10654	5.1
173.13243	4.9
175.14845	17.0
177.05414	2.9
177.12701	5.0
177.16370	66.5
179.14240	2.5
181.12209	8.9
189.12663	2.1
191.10532	2.3
191.14211	2.7
191.17838	3.1
192.06572	10.7
195.13762	3.9
201.16385	22.3
204.15126	4.7
204.49915	1.7
219.06735	2.4
219.10115	7.3
219.13930	3.5
219.17424	100.0
223.48557	2.0
228.86313	1.7
237.07570	3.4
237.11209	2.6
237.14735	6.3
237.16577	3.7
237.18486	79.4
237.22191	5.1
238.18008	2.7
245.82069	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03925	0.4
54.53303	0.4
55.01856	0.3
55.05497	2.1
57.07048	1.1
59.12925	0.3
67.05493	3.7
69.03416	2.0
69.07050	3.7
71.04985	0.8
71.05350	0.3
71.48285	0.8
79.05467	1.4
81.07043	6.7
83.04948	1.6
83.08603	2.1
85.06524	0.5
86.09651	0.4
91.05463	1.6
93.06502	0.5
93.07032	5.7
95.04928	1.0
95.08586	5.5
97.06520	2.3
97.10146	0.8
105.07016	2.9
107.04923	0.4
107.08574	5.9
109.06505	3.7
109.10135	8.1
111.08051	3.4
111.11677	0.4
117.06979	0.6
119.08557	3.1
121.06488	2.8
121.10135	4.6
123.08047	4.5
123.11684	9.4
125.09571	0.6
130.07785	0.6
131.08565	2.3
133.10129	1.8
135.08026	6.0
135.11676	4.2
137.05960	0.3
137.09590	1.5
139.03831	0.5
139.07529	0.4
145.10124	3.6
147.08020	0.5
147.11661	1.0
149.09592	5.5
149.13246	1.6
151.07532	0.3
151.11147	0.6
153.05476	1.0
153.09047	0.4
159.11679	2.8
161.09570	1.1
161.13225	2.2
162.10461	0.4
163.11159	8.9
166.09813	0.4
170.75751	0.3
173.13298	2.2
175.14789	1.0
175.71782	0.3
176.11948	1.5
177.09052	0.6
177.12653	1.6
177.16309	0.6
179.07024	1.1
189.12608	0.6
191.07072	0.4
191.14313	1.6
191.50429	0.4
192.06441	0.5
194.09355	1.2
195.10123	0.5
195.13763	4.6
201.16402	1.3
204.14992	1.0
219.17401	100.0
220.17799	1.8
237.14799	14.6
237.18468	12.7
237.22072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
53.03926	1.8
55.01847	2.1
55.05504	8.2
57.03421	1.3
57.07063	3.1
59.04990	4.6
65.03921	1.3
67.05496	14.1
69.03416	9.2
69.07065	8.3
71.04984	18.5
71.45952	1.4
71.46293	1.7
79.05484	16.2
81.07047	73.8
83.04972	3.1
83.08593	3.1
85.06516	4.4
91.05469	8.4
93.07038	18.0
95.04949	4.2
95.08598	14.3
97.06517	9.6
97.10134	3.1
99.08081	36.5
103.05433	1.5
105.07024	21.5
107.08586	20.5
109.06506	12.3
109.10145	24.2
111.08070	16.3
113.09666	1.4
117.07054	1.4
119.08575	9.9
121.10142	15.6
123.04892	1.2
123.08027	3.8
123.11715	8.9
125.09654	6.7
127.07537	17.1
127.11189	19.6
131.08563	5.5
133.06482	1.5
133.09160	2.4
133.10120	33.4
135.08028	3.0
135.11676	9.0
137.09586	2.3
139.11159	3.4
143.10654	5.6
145.10107	13.6
147.11665	11.6
149.09598	2.9
149.13199	7.1
151.11163	31.2
155.10672	8.5
159.11656	8.2
161.13242	8.1
163.07625	1.7
163.11194	10.3
163.46173	1.3
165.12749	2.1
169.12196	4.1
173.13231	2.3
175.14810	3.6
179.14362	1.7
189.12717	9.1
191.14262	1.8
191.17877	1.6
201.16310	7.3
204.15067	11.5
216.06506	1.5
219.13963	2.7
219.17426	100.0
237.07411	1.4
237.14777	4.0
237.18460	19.9
237.22055	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	237.1845
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03941	0.5
55.01855	0.5
55.05495	2.7
57.07052	1.2
59.04974	0.7
67.05484	5.0
69.03413	1.4
69.07055	11.4
71.79053	0.5
74.13040	0.4
79.05482	2.9
81.07037	6.0
83.04957	1.1
83.08607	2.0
85.06538	1.1
91.05453	2.0
93.06493	0.6
93.07021	7.5
95.04949	1.2
95.08581	8.3
97.06503	2.2
97.10130	1.7
99.08102	0.5
105.07008	3.2
107.04915	0.7
107.08571	7.3
109.02846	0.5
109.06495	2.4
109.10135	20.0
111.04432	0.9
111.08051	1.9
117.06961	0.7
119.08563	4.1
121.06487	5.0
121.10119	11.2
123.08047	2.0
123.11661	2.8
125.09625	0.8
131.08534	1.6
133.10127	1.5
135.08028	2.6
135.11664	11.2
137.09589	11.6
145.10068	2.6
147.11603	2.7
148.07570	0.4
149.09593	16.3
149.10797	0.8
149.13188	2.6
151.11182	0.6
155.68056	0.4
159.11646	3.0
161.09525	0.6
161.13226	3.0
163.07616	0.5
163.11142	5.8
163.14786	0.7
173.13232	0.9
176.11899	0.6
177.12611	2.4
177.16307	1.2
179.14296	0.7
179.55875	0.4
189.12653	0.5
191.14317	0.5
191.17911	13.7
192.06517	1.6
201.16360	4.5
204.15099	0.5
209.11710	1.1
219.17398	100.0
220.17696	1.2
237.07289	0.6
237.10927	0.5
237.14731	1.3
237.18513	5.1
237.21974	0.7
238.18047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1843
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
55.05494	1.2
57.07051	0.9
67.05495	2.1
69.03408	3.1
69.07053	3.9
69.64963	4.3
77.22556	0.5
79.05473	1.3
79.47144	0.4
81.07046	4.6
83.04975	0.5
83.08595	2.6
91.05437	1.1
93.07034	5.4
95.08615	2.4
97.06507	3.9
99.80432	0.5
99.96435	0.4
105.07001	2.3
107.08566	5.0
109.06483	1.5
109.10137	3.2
111.08055	11.4
117.07011	1.3
119.08566	3.4
121.06470	4.2
121.10114	4.6
123.08028	1.5
123.10857	0.9
123.11681	11.2
125.09641	0.5
131.08545	1.6
133.10143	1.1
135.08037	9.2
135.11659	4.9
137.09555	0.7
145.10104	2.9
147.07932	0.5
149.09590	20.8
149.13206	1.8
159.11682	2.4
161.09525	1.1
161.13229	7.2
163.11153	34.0
175.14798	0.8
176.11906	1.9
177.12701	1.6
177.16341	2.4
189.12726	2.8
201.16345	2.5
204.15082	2.0
219.17400	100.0
220.17734	0.8
237.18446	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	237.1845
Annotation	Carissone
Peak:m/z	Relative Intensity
53.03921	0.9
55.01858	1.5
55.05502	8.8
57.03415	1.7
57.07063	3.3
57.12364	0.8
59.04974	1.8
60.14379	0.7
62.64226	0.6
67.05486	7.0
69.03408	2.0
69.07061	12.8
69.64557	4.8
69.64964	1.4
71.04606	1.5
71.04981	26.6
71.08611	1.0
79.05487	5.4
81.03384	1.0
81.07043	19.6
83.04578	0.7
83.04977	9.2
83.08601	8.4
85.06534	7.7
86.18098	0.7
91.05482	4.0
93.07029	17.1
95.04951	2.6
95.08592	26.0
97.06531	4.6
97.10133	1.9
98.20711	1.4
99.04443	24.6
99.08061	1.8
101.05997	5.7
105.07014	13.4
107.08585	19.5
109.06512	6.9
109.10144	15.6
111.08070	6.1
117.07030	1.1
119.08569	16.0
121.06482	1.8
121.10127	15.7
123.08051	9.2
123.11687	8.2
125.09616	1.6
127.07491	1.2
131.04938	1.3
131.08549	3.7
133.10100	7.5
135.08002	2.8
135.11668	9.5
136.08797	1.1
137.09576	3.8
137.13240	5.0
145.10110	7.8
147.11671	1.2
149.09589	4.7
149.13257	4.1
151.11166	29.2
151.14757	2.1
157.10118	0.9
159.07991	0.8
159.11673	11.1
161.13239	19.7
163.07477	1.1
163.11156	6.4
163.14809	1.3
167.10699	4.7
167.14285	16.5
173.13234	1.9
175.14798	2.2
177.05476	0.7
177.12691	2.7
177.16367	2.9
179.14282	100.0
180.14592	0.8
181.12216	3.2
191.14246	0.7
191.17921	2.8
192.06578	1.5
194.09317	0.9
195.10124	1.0
195.13785	1.8
201.16380	10.1
219.13913	1.4
219.17421	17.2
237.14972	9.0
237.18462	88.1
238.18750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	[1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol
Peak:m/z	Relative Intensity
52.32059	0.2
53.03956	0.2
54.11304	0.2
55.05499	1.0
57.03431	0.5
57.07077	0.4
67.05490	1.8
69.03442	0.4
69.07064	1.1
70.83184	0.6
71.05008	0.4
78.63258	0.2
79.05473	1.0
81.07039	1.5
83.04990	0.6
83.08596	1.0
91.05499	0.8
93.07030	2.6
95.08593	1.9
97.06512	6.0
97.10148	0.3
105.07014	2.6
107.08581	2.7
109.06527	0.5
109.10152	3.1
111.08067	16.2
117.07008	0.6
119.08544	1.8
121.06451	1.0
121.10132	3.1
123.08063	1.0
123.11700	1.8
125.09577	0.2
131.08560	0.5
133.10155	0.7
135.08031	4.2
135.11671	3.1
137.09619	0.7
145.10118	1.9
147.11659	3.9
149.02354	0.9
149.05943	0.3
149.09567	1.8
149.13243	0.4
151.11389	0.2
151.56461	0.2
159.11649	1.8
161.09607	0.9
161.13220	1.0
162.10367	0.2
163.11154	8.5
164.11932	0.5
165.07077	0.2
173.13217	0.5
175.11195	0.2
175.14771	0.4
176.11966	0.9
177.05376	0.3
177.12660	1.2
177.16354	0.5
179.07005	0.5
189.12715	11.7
190.13226	0.2
191.14307	1.1
191.17952	0.4
193.04935	0.6
194.09335	0.8
195.10187	0.2
201.16371	1.6
204.15067	15.1
205.15442	0.3
219.13826	3.3
219.17404	100.0
220.17683	1.3
237.07645	0.9
237.14796	4.7
237.18449	7.0
237.21992	0.3
238.10124	0.2
246.72249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03933	0.8
55.01853	2.0
55.05502	6.4
57.03416	3.3
57.07062	4.2
59.05001	2.0
65.45835	0.7
67.05497	8.8
69.03416	2.3
69.07060	11.6
70.45586	3.3
71.04970	3.7
71.08610	1.4
79.05489	6.8
79.65611	0.8
81.07048	19.6
83.04965	3.4
83.08622	4.8
85.02885	1.0
85.06522	3.5
91.05461	7.6
93.07034	26.1
95.04953	4.7
95.08599	21.6
97.06525	4.5
97.10120	2.1
99.04454	1.2
99.08087	1.4
103.05446	1.1
105.07021	16.4
107.04937	1.6
107.08584	31.0
109.06501	7.0
109.10144	17.0
111.04403	1.3
111.08089	6.8
113.05968	1.0
117.07022	2.7
119.06004	1.0
119.08575	9.9
121.06490	6.2
121.10124	16.4
123.04418	1.1
123.08027	3.7
123.11701	6.5
125.05968	2.9
125.09630	4.0
127.03894	1.0
127.07532	1.5
127.11191	1.8
129.06964	1.1
131.04901	1.7
131.08557	17.2
133.06453	1.9
133.10110	14.0
135.04402	4.1
135.08032	7.4
135.11681	9.9
137.05972	2.2
137.09610	2.8
137.13293	0.9
139.03870	2.8
139.07507	7.3
144.09346	1.0
145.10092	5.1
147.11667	4.2
149.05951	2.1
149.09601	15.6
149.13243	17.1
151.11125	1.9
153.05453	8.0
153.09108	3.9
157.10117	1.1
158.10898	1.8
159.07968	1.5
159.11691	5.7
161.05972	0.8
161.09581	3.3
161.13231	3.5
163.07498	6.1
163.11195	4.9
163.14813	2.9
167.07056	1.3
167.14378	1.1
173.13261	18.2
175.07494	1.0
175.14867	4.6
177.05505	1.4
177.09087	7.0
177.12726	8.2
179.10660	1.9
181.08591	1.0
181.12233	1.6
191.07053	1.5
191.10692	1.3
191.14297	15.8
191.17929	3.2
192.06494	2.3
193.10416	0.9
193.12173	5.1
193.15862	4.1
195.10129	1.9
195.13791	57.2
196.14236	1.1
201.12711	1.9
201.16364	4.4
209.15398	2.1
219.06503	1.5
219.10378	6.2
219.13791	27.6
219.17235	7.0
219.20781	0.9
237.14822	100.0
237.18330	10.4
237.21992	1.8
238.15181	2.7
238.17899	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1481
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03951	0.8
55.01857	1.9
55.05498	7.1
55.24045	0.8
57.03426	1.3
57.07055	4.1
59.04980	3.0
60.28321	0.9
65.03905	1.4
67.05496	10.0
69.03402	2.8
69.07054	10.9
70.38898	4.3
71.04974	4.2
71.08604	1.8
79.05472	6.4
81.03415	2.3
81.07046	17.2
83.04961	3.6
83.08611	8.2
85.02876	1.1
85.06536	8.6
91.05470	10.0
93.07029	25.7
95.04964	4.9
95.08590	25.5
97.06526	4.5
97.10156	2.3
99.04428	3.9
99.08061	2.2
105.07010	19.0
106.07277	1.0
107.04915	1.4
107.08580	32.6
107.09318	1.6
109.06506	5.7
109.10136	17.9
111.04426	1.8
111.08064	12.7
113.05973	0.9
113.09599	2.6
116.06219	1.0
116.84031	0.9
117.07006	4.2
119.08564	17.8
121.06506	7.4
121.10127	21.2
123.08032	4.4
123.11707	8.3
125.05984	1.4
125.09612	4.3
127.11257	1.1
129.07011	0.9
130.07816	1.0
130.61786	0.8
131.08546	14.5
133.06482	1.1
133.10115	15.9
135.04405	3.9
135.08055	11.0
135.11667	13.2
137.05956	3.0
137.09592	3.1
139.03856	2.7
139.07510	8.7
139.11125	1.1
141.45535	1.0
143.08493	1.8
145.06494	1.1
145.10107	12.1
147.08072	1.0
147.11661	5.9
148.07561	1.0
149.05998	2.0
149.08478	1.4
149.09595	21.9
149.10770	1.1
149.13235	16.6
151.07472	1.0
151.11153	1.7
153.05440	7.6
153.09055	3.1
157.10109	0.9
158.10861	1.4
159.08037	1.4
159.11676	14.8
161.06041	1.2
161.09569	2.4
161.13245	19.4
163.07524	4.6
163.11169	16.4
163.14766	2.4
165.12871	0.9
167.10719	1.5
173.13248	16.9
175.11246	1.4
175.14748	4.4
176.11929	1.6
177.05389	1.0
177.09096	8.9
177.12708	10.6
177.16328	3.1
179.10640	1.1
179.14326	2.2
181.08563	1.7
181.12184	2.7
189.12698	2.5
191.07047	1.5
191.10522	1.1
191.14311	15.7
191.17952	5.0
192.06523	5.5
193.12149	3.4
193.15823	2.9
194.09415	1.3
194.40584	0.9
195.10075	2.2
195.13777	52.1
201.16351	10.9
204.15059	3.0
209.13361	1.2
209.15331	1.5
219.10265	5.5
219.13863	25.8
219.17397	58.8
237.07458	1.9
237.11002	2.5
237.14804	100.0
237.18387	17.0
237.22011	2.1
238.15118	1.6
238.17845	1.2
255.32816	1.1
258.34549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.148
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.80001	0.7
55.01859	1.2
55.05505	4.5
57.03415	3.3
57.07050	3.7
57.07302	0.8
57.56226	0.8
58.32062	0.8
59.04981	1.6
67.05495	6.6
69.03409	1.9
69.07063	7.5
71.04967	2.7
71.08601	1.2
71.78912	1.2
79.05475	6.2
81.03403	2.2
81.07043	15.7
83.04957	6.5
83.08617	4.1
85.06513	2.6
91.05477	8.4
93.07035	22.5
95.04960	5.0
95.08591	18.2
97.02841	0.9
97.06504	4.0
97.10127	1.2
99.04404	1.1
99.08031	0.8
103.05439	1.3
105.03362	1.0
105.07014	11.8
107.04925	1.7
107.08581	25.8
109.02859	1.0
109.06503	6.3
109.10142	10.1
111.04424	2.4
111.08054	9.2
116.06233	1.1
117.06988	2.7
119.08562	8.6
121.06496	5.4
121.10123	14.3
123.04379	1.7
123.08036	3.6
123.11699	7.1
125.05962	2.2
125.09588	2.7
127.03955	1.3
131.08530	14.4
133.06523	0.9
133.10112	13.0
135.04396	5.2
135.08046	8.6
135.11673	8.3
137.05936	2.9
137.09590	1.5
139.03860	3.1
139.06714	0.8
139.07532	8.0
143.08499	1.5
144.09332	1.0
145.10114	5.2
146.05988	0.9
147.11633	5.6
149.05933	1.4
149.09602	19.1
149.13210	14.6
151.07475	1.4
151.11111	1.6
153.05444	6.2
153.09041	2.9
157.10126	1.9
158.10828	1.1
159.11644	7.8
161.05981	1.2
161.09517	2.8
161.13226	6.0
163.07498	4.8
163.11148	13.6
163.14848	1.7
167.07036	1.2
167.08397	1.0
167.14311	0.9
173.05850	1.0
173.13252	14.3
175.14778	2.7
177.05374	1.3
177.09102	7.0
177.12732	8.9
177.16319	1.9
179.06981	1.3
179.08479	1.1
179.14314	1.0
181.08528	1.4
181.10013	1.3
189.12662	1.5
191.06982	0.9
191.10553	0.9
191.14291	14.7
192.06578	2.0
193.12210	3.7
193.15863	4.0
194.09378	1.0
195.10089	1.6
195.11894	1.8
195.13774	52.8
201.12677	2.2
201.16330	4.6
207.11542	1.2
209.15317	2.0
219.06668	1.6
219.11674	1.4
219.13843	25.3
219.17384	44.8
222.14026	1.3
237.14778	100.0
237.18254	10.2
237.21783	1.6
238.15141	1.6
238.17741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	1.3
57.03424	8.5
67.05482	2.3
69.07043	1.7
69.51167	1.3
69.51566	6.1
71.01345	0.7
71.04990	1.2
72.08144	1.0
75.04455	2.1
79.05489	3.2
81.07029	3.0
83.04972	1.1
83.08633	0.7
84.04507	1.0
85.02891	2.2
85.06530	0.9
86.09676	1.7
91.05441	3.5
92.05807	0.8
93.07034	1.8
95.04922	2.4
95.08567	1.7
97.02866	0.9
97.06554	1.0
98.97593	0.9
102.04656	3.8
103.05450	26.4
105.03430	1.0
105.07025	8.3
106.96342	0.9
107.04931	2.5
107.08589	1.7
109.02855	0.9
109.06485	2.3
109.10139	1.9
110.07070	0.7
111.08092	1.1
115.05428	2.0
116.98619	1.1
117.06998	1.4
119.04932	1.1
119.08553	1.8
120.08087	2.0
121.06469	2.4
121.10133	1.2
122.06788	0.9
123.04411	1.4
123.08061	0.8
129.07033	0.9
130.03244	0.9
130.04131	12.6
130.05028	1.3
131.04909	79.5
133.06458	7.2
133.10132	1.2
134.95789	1.0
135.08020	2.0
135.11711	0.9
137.05977	1.9
141.06995	0.7
143.06021	0.7
145.06456	1.6
145.10043	1.2
146.06033	1.2
147.04385	2.4
148.05168	100.0
149.05743	1.2
149.09633	1.3
149.94543	1.8
157.06439	1.2
158.07207	1.4
159.08023	1.7
160.05206	2.1
161.05956	18.6
162.06735	10.1
163.07520	64.6
167.14244	0.7
173.09607	1.2
175.07544	3.3
176.10762	0.9
176.96906	3.5
177.05431	0.8
177.09143	1.1
179.07047	1.2
181.08549	0.9
189.09117	1.2
191.03387	2.9
191.06989	1.2
192.06505	1.2
193.13977	0.7
194.07234	0.9
201.09059	2.4
201.16278	0.6
202.23859	0.6
204.07811	1.9
205.08594	1.5
209.09833	1.0
219.02881	1.7
219.06474	1.7
219.10056	4.3
219.13684	0.9
219.17358	4.3
219.29124	0.6
220.13496	0.9
237.03856	6.1
237.07503	2.8
237.09253	1.7
237.10992	5.1
237.14806	1.8
237.18553	1.5
237.22154	1.7
238.06339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
51.45229	0.4
53.00325	0.5
53.03933	0.5
53.52377	0.4
55.01859	1.1
55.05495	1.2
56.96563	0.6
57.03424	1.0
57.07029	0.9
59.04953	0.5
60.04514	0.7
67.05486	1.4
67.17303	0.4
69.03418	0.9
69.06708	0.4
69.07049	2.2
69.85030	2.3
69.85445	0.9
70.06581	4.1
71.01331	0.5
71.04964	0.8
72.08140	2.0
73.02915	0.4
74.02428	5.3
79.05478	1.5
81.03407	0.5
81.07066	2.0
81.07494	0.4
83.04962	1.6
83.08584	0.7
84.04503	0.8
84.08120	2.4
85.02886	1.1
85.06531	0.6
86.09690	1.7
91.05452	2.9
93.07059	2.0
94.06552	9.4
95.04955	1.6
95.08588	1.5
97.02879	1.3
97.06497	1.3
98.20724	0.8
98.97554	0.6
99.00786	2.4
103.05439	2.0
104.04970	1.9
105.03365	1.9
105.07004	1.8
106.06518	1.0
107.04907	0.9
107.08574	1.7
109.02866	0.5
109.06505	1.0
109.10120	0.7
110.06046	1.0
111.04401	0.5
111.08035	1.2
114.10284	1.3
116.07085	1.3
116.98573	0.5
117.03304	0.5
117.05759	0.4
117.07005	1.0
118.06525	13.2
119.08575	1.2
120.04462	4.3
120.08086	26.8
121.06481	1.3
121.10116	1.9
122.06006	0.9
123.04385	1.2
123.08030	0.6
123.11676	1.0
125.05977	0.8
125.09550	0.7
128.04939	2.4
129.10243	1.4
130.06509	4.1
131.04909	1.9
131.08507	0.5
132.04437	3.7
133.06456	0.9
133.10086	0.8
135.04379	1.0
135.05338	0.5
135.08046	1.8
135.11626	1.0
136.07552	17.0
137.05984	0.9
137.09619	0.6
143.03625	0.4
145.06436	0.7
145.10110	1.0
146.05984	100.0
147.04373	0.5
147.06393	0.8
147.08009	0.5
148.03911	6.2
148.05025	0.6
148.07535	0.7
149.02443	0.6
149.05930	1.3
149.09554	2.3
150.05490	4.5
151.07529	0.5
156.04468	0.9
157.07588	3.0
158.05984	1.7
159.04350	0.6
159.08008	0.6
159.09183	0.8
159.11661	0.6
161.05998	0.6
161.13240	0.7
163.03903	0.7
163.07504	1.1
163.08719	0.7
163.11163	2.2
164.07043	3.3
166.08618	20.0
173.07159	1.0
173.13066	0.5
174.05489	15.2
175.08708	0.6
176.96928	0.8
177.05449	2.4
177.09047	0.7
177.16371	0.5
191.06757	0.8
191.08275	6.1
191.10481	0.9
191.11906	1.0
192.06529	15.4
192.10229	0.7
193.08612	1.7
201.12567	0.4
202.04984	6.4
203.08186	2.8
204.15053	0.4
205.04987	0.6
209.08025	0.8
219.06488	1.8
219.10054	0.9
219.13861	0.5
219.15587	0.8
219.17438	6.9
219.20807	0.8
220.06035	7.5
237.03804	1.4
237.09029	9.0
237.12405	2.2
237.14815	2.0
237.18459	1.2
237.22073	3.0
238.08954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01871	5.0
55.05268	1.2
55.05507	15.4
56.05025	1.5
56.51744	0.6
56.96558	71.2
57.03431	10.0
57.07050	1.7
58.06574	0.8
59.04986	2.5
60.04501	2.7
60.95827	3.1
61.02922	15.2
65.03941	0.8
67.05482	1.3
68.05016	2.2
69.03422	13.5
69.07040	1.5
70.03747	1.1
70.06587	14.2
70.10171	4.2
70.98105	4.8
71.01349	4.3
71.04980	4.5
71.95271	1.6
72.08149	6.6
72.96030	0.8
73.02908	18.9
73.06175	1.1
73.06548	12.6
74.02412	1.1
74.06057	2.6
74.97598	3.0
75.04468	1.4
76.02201	1.3
77.00816	0.8
81.03415	7.4
81.07038	1.7
83.00769	1.0
83.04962	1.9
84.00845	1.0
84.04480	1.9
84.08131	15.3
84.96027	4.0
85.02895	25.4
85.60513	0.7
86.03205	1.0
86.06059	7.9
86.09692	9.7
87.04461	4.4
87.06398	0.7
87.10023	1.1
88.03985	1.2
88.99146	3.0
89.00745	0.9
90.01537	1.8
91.03931	1.3
91.05454	2.3
92.01307	0.8
92.03113	1.2
93.07080	0.7
94.06558	14.4
95.00767	0.9
95.01326	1.1
95.04931	2.4
95.06077	1.1
96.01517	1.2
96.08100	1.1
97.02306	1.5
97.02877	17.4
97.06503	2.0
98.01275	1.5
98.09760	0.7
98.97572	49.0
99.04440	5.9
99.97903	1.0
100.01015	0.9
100.02473	1.0
101.00790	2.0
101.02417	1.7
102.05532	1.2
102.96928	1.2
103.00505	0.8
103.02363	0.9
103.03944	2.0
103.05440	0.9
104.01261	2.0
104.03112	0.9
104.98615	0.8
105.02018	0.8
105.06930	0.7
106.00995	1.6
107.00182	1.4
107.01778	1.0
107.04935	2.2
108.04447	1.1
109.02879	4.9
109.06452	0.9
110.01252	3.2
110.03096	1.8
110.07158	4.5
110.97571	4.7
111.00182	1.2
111.02035	0.7
111.03827	1.8
111.04505	0.8
111.07479	1.0
112.07602	1.3
112.99141	1.4
113.01013	0.8
113.01733	1.1
113.03568	1.0
114.09138	2.6
114.10268	2.7
115.02423	0.9
115.03914	1.8
116.01264	1.4
116.03401	2.4
116.07045	1.7
116.98611	43.6
117.01851	3.7
117.98949	1.5
118.01052	1.3
118.03529	1.1
119.01857	14.6
119.03577	2.3
120.00711	1.7
120.01995	2.5
120.05616	0.8
120.08071	3.1
120.97885	1.3
121.01657	2.0
121.06477	0.9
123.04410	1.6
124.07565	0.9
125.01794	2.0
125.03584	2.0
125.07094	1.7
126.00740	1.9
126.02525	1.6
126.04336	1.1
126.09126	1.0
127.00668	0.8
127.01510	2.9
127.03912	9.0
128.02295	6.1
128.97841	1.1
128.98613	8.2
129.02106	1.7
129.10243	3.6
130.08621	5.7
130.52448	0.8
131.00143	3.3
131.01854	3.2
131.03445	2.1
132.00746	1.8
132.01988	1.0
132.06511	2.2
133.01570	1.9
133.03397	2.7
133.06171	0.8
134.02275	1.2
134.99646	27.1
135.01260	1.9
135.03123	2.7
135.53290	0.8
135.59402	0.7
135.99968	0.9
136.06204	1.6
136.07549	0.9
137.02878	2.1
137.05956	2.6
137.07071	2.2
138.00673	1.0
138.05467	3.0
139.02478	0.8
140.00215	1.2
140.02298	1.1
140.98595	2.5
141.01247	1.4
142.03554	0.9
142.96515	1.0
143.00194	3.3
143.01865	1.8
143.03438	0.9
144.03621	0.9
145.01608	1.9
145.03394	2.7
145.04961	2.3
146.02267	1.7
146.04161	7.2
146.06003	20.0
146.54237	1.5
146.99640	10.9
147.01242	2.3
147.03242	8.6
147.04349	1.1
147.55733	1.0
148.03839	1.4
149.01155	2.4
149.03004	1.1
152.02264	2.1
153.00639	4.0
153.03098	1.0
154.02042	1.6
155.04630	100.0
155.54781	8.3
156.01747	1.6
156.04926	0.9
156.07672	1.2
157.02559	3.4
158.01245	1.7
158.99634	24.9
159.02890	4.8
160.00121	0.7
160.01990	1.6
160.08218	1.3
160.97580	1.4
161.01244	7.9
161.02693	5.4
162.03210	2.3
162.05479	1.8
162.99112	2.1
163.02710	3.4
163.03978	2.0
164.05180	32.0
164.55367	2.9
165.00710	2.7
165.04317	7.7
165.05605	1.2
166.06081	1.1
166.55418	11.8
167.02707	1.3
167.04529	1.0
167.06976	2.2
168.01790	1.3
168.03413	0.8
168.52022	1.4
170.03392	1.8
170.05063	0.8
170.99631	3.3
171.01369	16.0
171.99997	0.7
172.08125	2.5
172.97562	2.9
173.01222	1.6
173.02962	1.9
174.03058	0.8
174.11221	2.4
174.99141	1.2
175.00978	1.6
175.02615	4.2
175.04439	0.8
175.52628	1.3
175.55977	2.1
176.03426	1.4
176.05331	2.8
177.00697	28.4
177.02220	1.7
178.04817	1.2
179.02197	1.9
182.03348	6.6
182.05173	2.0
183.02267	0.8
183.55887	1.1
184.03044	2.6
184.53299	4.3
184.58293	0.8
185.03088	1.1
185.04774	1.1
186.04488	1.0
186.06100	1.4
186.99142	10.1
187.00813	1.2
187.02759	3.1
188.05090	4.3
188.07626	1.7
188.97044	2.2
189.00658	7.0
189.02431	9.1
189.04301	4.1
189.06044	2.0
190.01137	1.2
190.02940	2.3
190.08620	1.1
190.14375	3.1
190.98616	15.8
191.02167	2.1
191.03874	9.3
191.05693	9.2
191.08405	1.6
191.52345	0.8
191.53981	1.1
191.55721	1.4
191.99019	1.2
193.00212	2.3
194.00607	1.7
194.03072	2.0
194.05208	2.9
194.97925	1.4
195.01749	2.5
195.05078	1.3
197.05653	1.2
199.03639	2.0
200.02386	2.2
200.04416	2.8
201.00635	2.8
201.04253	1.6
202.54765	1.3
202.98576	1.2
203.03987	1.6
203.05762	2.8
204.00356	0.8
204.05522	1.2
205.00168	12.5
205.03754	2.3
206.06216	5.8
206.08705	0.9
206.98187	1.9
207.01813	1.7
207.03560	1.1
207.05420	1.8
208.09744	1.6
208.99657	4.1
209.05621	1.3
209.12909	4.1
210.00816	1.2
210.04594	1.6
211.04706	1.0
212.02208	1.2
212.04280	1.6
212.06284	2.3
212.96967	1.4
212.98878	1.0
213.00613	3.2
213.02429	5.4
213.04292	1.9
213.06093	1.3
213.07884	1.3
214.00304	1.8
215.05592	1.4
217.00153	1.4
218.02368	0.9
218.06183	3.4
218.08151	4.7
218.15456	2.2
218.56415	1.7
219.01744	7.8
219.05197	1.4
219.07919	1.4
220.04102	1.5
223.01196	1.1
224.06226	1.6
226.15477	3.1
226.54314	1.7
227.06740	51.5
227.56897	9.3
228.01712	1.0
230.98068	14.8
231.01387	3.6
231.03680	4.1
231.05434	1.5
231.08971	1.7
231.11951	1.1
232.99689	1.0
236.02383	5.3
236.07179	19.1
236.09218	21.9
236.12653	4.3
236.14674	2.5
236.16631	5.0
236.57541	2.7
237.02760	6.8
237.08691	1.4
245.11230	1.2
247.58162	0.8
248.99146	5.1
249.02924	1.0
251.04367	3.2
254.03336	1.6
254.08926	1.3
255.03870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1801
Annotation	Lidocaine
Peak:m/z	Relative Intensity
58.06591	3.5
70.01742	1.4
73.51795	0.2
86.09692	100.0
87.10020	0.6
98.20844	0.3
125.16438	0.2
235.18021	23.3
236.18419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46124	0.7
70.00198	2.6
70.00613	2.9
75.96256	0.9
76.52933	0.7
92.03548	0.8
94.92442	1.2
94.93005	13.9
98.20703	0.9
110.39972	0.8
121.51063	0.9
147.91177	0.9
169.48898	1.1
236.00821	100.0
236.14761	1.7
237.01222	2.0
244.69963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	Marasmene
Peak:m/z	Relative Intensity
52.78990	0.6
55.05495	0.6
57.07059	1.3
59.59716	0.4
66.89594	0.5
67.05455	0.7
69.03419	0.6
69.07059	15.6
70.50066	1.2
70.50484	1.2
74.04659	0.5
79.05462	1.1
81.07043	1.4
83.01314	0.7
86.09703	3.2
86.10116	0.5
87.62911	0.5
88.78707	0.5
91.05458	1.1
93.07011	0.7
95.04947	0.6
95.08596	2.7
98.96906	0.6
105.07000	2.1
107.04884	0.8
109.06513	1.4
111.11703	1.9
115.33764	0.5
119.08611	0.6
123.08032	3.3
125.06004	0.7
133.06448	3.3
137.05959	62.1
138.06233	0.9
150.98672	0.6
151.07521	100.0
152.07802	1.1
165.09100	5.4
179.10638	2.4
235.16893	34.2
236.17154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	12-hydroxychiloscyphone
Peak:m/z	Relative Intensity
55.01852	0.5
55.05494	0.7
57.03421	0.4
57.07069	3.6
58.06564	0.4
59.04994	29.0
66.34554	0.3
67.05497	1.7
69.03421	2.1
69.07040	1.1
70.38358	0.4
71.04967	0.6
71.79781	0.4
79.05479	3.4
81.07046	11.6
83.04978	0.5
83.08606	0.6
85.06507	0.7
86.09698	14.0
91.05474	2.4
93.07032	7.8
95.04937	1.3
95.08617	2.6
97.06520	5.0
103.05469	0.5
105.07014	2.6
107.04226	0.7
107.04939	13.2
107.08605	3.3
109.06492	1.3
109.10144	1.0
111.04368	0.4
111.08069	18.5
117.06999	1.0
119.08567	3.9
121.06492	2.1
121.10125	1.9
123.04403	0.6
123.08049	2.5
123.11704	0.5
128.06201	0.4
129.06989	1.1
131.04874	0.7
131.08537	1.1
133.06442	0.5
133.10101	2.5
135.08029	0.9
135.11658	1.8
137.09560	0.4
145.06499	0.5
145.10101	0.6
147.08041	0.9
147.11662	1.1
149.13229	1.1
151.07547	0.5
157.10107	0.9
159.11685	2.9
161.05922	0.6
161.09569	1.0
161.13286	0.8
161.65121	0.3
171.11632	0.6
173.06017	0.5
175.07588	0.4
175.11168	0.8
175.14781	1.3
177.12726	100.0
178.13068	2.2
179.10611	1.8
189.12695	0.5
189.16391	0.9
191.06982	0.8
192.07826	0.5
199.14749	0.5
207.08293	0.4
207.10062	0.4
217.08508	0.5
217.12212	0.5
217.15810	1.4
217.19507	0.6
218.15587	0.4
235.07632	0.4
235.09731	2.4
235.13155	1.1
235.16756	13.0
235.20581	1.1
236.09248	0.4
236.16905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	Oculatol
Peak:m/z	Relative Intensity
50.03942	0.6
53.03930	1.1
54.14777	0.5
55.05500	3.0
57.03408	0.7
57.07055	2.0
59.04978	1.7
67.05502	3.2
69.03416	3.9
69.07042	2.4
70.50826	1.2
70.51232	2.3
71.04963	2.1
72.04508	0.8
77.58347	0.7
79.05479	25.0
81.07047	5.3
83.04959	3.4
83.08603	2.6
84.26366	0.6
85.02859	1.6
85.06528	3.9
87.00813	0.8
87.04428	1.1
91.05460	4.2
93.07017	6.1
95.04954	5.2
95.08596	3.3
97.06474	1.3
99.04420	0.6
105.04473	0.8
105.07014	9.7
107.04938	26.8
107.08566	7.3
109.06460	1.5
109.10150	1.1
111.04407	2.6
111.08076	3.3
113.05962	1.2
115.05424	0.7
117.06975	2.8
119.08566	12.1
121.06462	2.8
121.10132	5.3
123.08038	1.7
125.09616	1.4
128.06207	1.0
129.06972	3.0
131.08551	12.5
133.06476	1.1
133.10120	9.2
135.08046	3.2
135.11633	1.2
136.64954	0.5
137.09613	4.4
141.06921	0.7
142.07753	1.3
143.08543	2.9
144.05684	1.0
145.06491	1.9
145.10089	12.6
146.10864	0.9
147.08018	11.9
147.11667	11.7
149.09601	4.5
149.13206	2.7
155.08452	1.3
156.09338	1.8
157.10118	6.6
158.07295	1.4
158.10857	1.8
159.08063	3.7
159.11665	3.2
160.08833	1.3
161.09595	2.1
161.13257	0.8
163.07541	1.3
163.11185	3.8
169.10094	0.8
171.11699	1.3
172.05142	1.1
172.08751	1.6
172.12505	0.7
173.09633	6.7
173.11836	0.8
173.13257	11.0
174.10414	0.9
175.07544	1.0
175.11160	19.9
177.09071	4.6
177.12712	1.0
182.10867	0.7
186.10410	1.9
187.07484	5.6
187.11224	3.0
187.14792	3.9
189.12740	7.3
190.09879	1.8
190.13434	0.6
191.10625	2.2
191.14275	31.2
197.13203	1.8
200.04544	1.3
200.11978	1.5
200.37614	0.7
205.12225	3.5
215.07019	10.6
215.14307	9.9
233.08075	9.2
233.15329	100.0
233.19093	3.1
234.15683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23383	0.3
53.03943	0.5
55.05512	1.5
55.24480	0.3
57.03429	2.1
59.01821	0.3
67.05502	0.4
69.07076	1.0
69.90598	1.3
69.91023	0.8
70.38383	0.3
74.06107	0.4
79.05494	1.3
81.07040	4.8
83.04966	1.4
91.05456	0.6
94.04059	1.0
95.04918	0.5
95.08572	0.7
96.08134	1.2
98.20721	0.6
98.97578	1.2
100.95558	0.3
101.60320	0.3
103.05443	0.4
105.03379	2.5
105.06995	0.5
108.08112	0.9
111.04446	0.8
116.98636	0.5
119.03525	1.6
119.08569	0.3
120.08099	1.3
123.04382	0.5
129.06975	0.8
130.30954	0.3
131.04947	0.4
136.06160	100.0
136.11215	1.0
137.04535	2.0
137.09610	0.5
145.10126	0.3
147.04416	0.4
149.05963	1.1
155.06982	0.9
157.06468	0.4
158.99635	0.8
160.11166	0.7
161.05936	1.8
162.06776	0.4
164.03410	0.7
164.07039	2.2
164.98354	0.3
171.08125	0.4
171.11693	0.5
173.08061	0.9
174.09924	0.8
175.03809	0.4
175.07483	2.9
178.12245	1.0
189.09114	0.4
190.10840	1.7
217.10391	2.1
217.12256	1.4
234.13417	72.7
234.18387	6.8
235.13702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.03432	2.2
59.54746	0.3
70.07557	1.5
70.07971	0.5
79.05482	1.1
81.07047	4.3
91.05457	0.5
94.04046	0.9
98.97571	1.0
99.08109	0.4
116.98609	0.5
119.03532	2.2
136.06168	100.0
137.04596	1.8
164.03415	1.4
164.06982	0.4
173.08081	0.4
177.00677	0.4
190.10880	2.1
213.07716	0.8
217.10590	0.7
217.12473	0.4
220.02383	0.5
234.13460	75.5
235.13722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
55.01851	4.5
55.05500	8.5
57.03436	1.5
57.07072	9.7
57.94398	1.6
59.04971	2.1
65.03896	1.5
67.05493	11.3
69.03391	5.5
69.07060	15.4
70.14498	6.1
71.04980	7.2
78.14004	1.9
79.05498	10.3
81.03407	2.0
81.06673	1.6
81.07043	17.7
83.04944	3.1
83.08591	5.1
85.06501	5.6
86.09687	32.1
86.10801	1.6
90.07570	1.6
91.05463	13.0
93.07027	21.2
95.04922	5.7
95.08072	1.9
95.08596	22.1
97.06487	6.2
103.05405	1.4
105.07017	34.3
107.04950	1.5
107.07922	2.0
107.08575	33.5
109.06514	9.8
109.10132	15.8
109.40774	1.6
111.08041	3.9
114.37323	1.5
117.06971	6.6
119.08556	93.3
121.06428	4.5
121.10107	16.6
123.08015	3.3
123.11630	5.4
128.06210	3.4
129.06953	3.8
131.08530	18.0
133.06453	2.6
133.10109	58.3
135.07185	1.6
135.08037	17.3
135.11691	9.9
137.05890	3.4
137.09584	9.3
142.07716	4.0
143.08536	12.8
145.06421	1.5
145.10092	17.0
146.07224	2.3
147.08000	7.1
147.11647	22.0
149.09540	6.0
149.13222	2.6
151.07449	4.6
151.11131	9.3
155.08501	1.6
156.09296	2.5
157.10101	17.5
158.10815	4.8
159.11670	16.9
161.09592	70.8
161.13199	4.6
162.10004	1.8
171.11661	10.4
173.13235	24.0
175.11188	15.1
175.14818	13.6
177.12616	5.8
179.10641	13.4
184.12437	3.3
187.11137	3.0
187.14694	5.5
189.12639	2.6
189.16377	23.1
191.14246	5.6
193.15750	3.1
199.14771	14.8
202.13408	3.6
217.15837	100.0
218.16092	2.3
235.13045	3.5
235.16823	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	(E)-2-(1,5-Dimethyl-1,4-hexadienyl)-5-methyl-1,4-benzenediol
Peak:m/z	Relative Intensity
53.43341	0.5
53.58031	0.4
55.05494	1.1
60.53067	0.4
66.60918	0.4
67.05499	5.4
69.03399	0.5
69.07049	1.1
70.05318	1.0
70.05737	1.7
71.08636	0.4
79.05469	0.9
81.07059	2.8
83.01332	3.8
83.08607	0.8
89.02106	0.4
91.05461	1.1
93.07020	1.2
95.08601	3.2
95.55329	0.4
105.07015	1.2
107.08568	0.7
109.06467	0.6
109.10153	4.7
119.08589	0.5
121.06493	4.0
121.10162	1.0
123.08025	1.9
129.07002	0.5
131.08554	1.2
133.06483	0.8
135.08029	1.0
135.11723	0.4
137.05969	10.9
144.72153	0.5
145.10088	1.2
149.05965	1.0
149.09596	5.5
151.07521	24.6
159.08038	1.6
162.06821	1.1
163.07524	2.8
163.11143	1.8
165.09077	1.2
173.09583	1.8
176.08318	1.9
177.09090	32.9
187.07431	1.9
190.09816	0.6
191.10645	19.0
215.06999	1.7
215.17830	0.5
233.15334	100.0
233.22534	2.0
234.15642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	2,7-dihydroxy-11,12-dehydrocalamenene
Peak:m/z	Relative Intensity
59.04969	1.2
65.35391	0.3
69.07092	0.4
71.24218	0.9
71.84361	0.3
79.05461	0.3
81.07013	0.4
82.18630	0.3
91.05449	0.6
105.07013	1.5
107.08586	0.7
109.29510	0.3
117.07022	1.1
119.08504	0.5
121.06501	1.7
127.20361	0.4
129.06952	1.2
130.07747	1.0
131.08546	0.7
133.10056	0.4
135.08043	0.9
143.08534	0.8
145.06523	0.4
145.10100	17.0
146.07207	0.4
147.08014	0.4
149.09622	0.4
153.06985	1.0
154.07817	0.5
155.08528	11.5
158.07256	14.6
158.08571	0.8
159.08051	2.8
159.11662	2.3
161.09590	5.5
169.10060	0.8
169.74403	0.4
171.08046	1.9
172.08803	4.6
173.09590	100.0
174.09949	1.2
175.11134	1.1
177.09010	0.9
183.09198	0.9
185.09587	0.8
186.10376	6.5
187.07588	0.4
187.11151	11.2
187.14708	0.8
200.11917	1.0
215.06979	1.0
215.14276	21.4
233.08049	1.4
233.15350	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	233.1532
Annotation	Oculatol
Peak:m/z	Relative Intensity
51.74688	0.3
55.05498	1.0
56.19844	0.3
57.07065	0.8
59.04995	7.3
67.05493	1.4
69.03442	0.8
69.07054	1.1
71.04017	0.7
71.04359	0.5
71.04997	0.7
73.06548	0.5
74.88229	0.3
79.05467	1.5
81.07063	1.9
83.01331	0.5
83.04964	0.6
83.08616	0.5
91.05474	2.4
91.05937	0.4
92.94219	0.3
93.07027	1.5
95.04956	0.6
95.08588	1.1
97.06501	0.5
105.07011	6.9
107.04916	0.9
107.08581	1.6
109.06482	0.5
109.10146	1.1
112.31892	0.4
115.05445	0.6
117.06995	1.6
119.08553	2.5
121.06483	9.1
121.10136	0.7
125.05990	1.0
128.06171	1.2
129.06966	1.3
130.07692	0.4
131.04897	0.4
131.08546	3.8
133.06499	0.9
133.10098	5.4
135.04381	0.5
135.07024	0.5
135.08035	7.0
135.11603	0.5
137.05952	1.0
141.06984	0.8
143.08543	1.5
144.05679	1.5
145.06447	2.3
145.10106	5.5
146.07249	4.4
147.08032	2.9
147.11673	1.4
149.09587	2.0
155.08540	2.3
157.10104	0.4
158.07243	5.3
159.08031	11.2
159.11679	1.6
160.08824	2.4
161.09593	100.0
162.06723	0.9
162.09898	0.8
163.07530	1.4
163.11160	1.0
172.05208	0.6
172.08801	0.9
173.09592	19.2
173.13243	1.6
175.07542	4.5
175.11165	12.8
176.08212	0.4
177.09087	19.4
186.10333	1.1
187.07521	2.8
187.11153	1.4
187.14755	1.0
189.09152	0.5
189.12692	2.2
190.09845	6.4
191.10654	6.7
191.14305	0.8
200.12004	0.5
201.09102	0.5
215.07021	4.1
215.10980	0.6
215.14287	13.5
215.17827	0.7
233.08025	4.5
233.11597	1.5
233.15326	55.5
233.19066	1.4
233.20844	1.4
234.15775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1532
Annotation	2,7-dihydroxy-11,12-dehydrocalamenene
Peak:m/z	Relative Intensity
53.03947	0.3
57.07061	0.4
59.04984	0.7
67.05461	0.3
69.07050	0.3
69.60789	2.1
74.06093	0.3
76.57630	0.2
79.05475	0.5
79.22018	0.2
81.07031	0.4
83.04968	0.4
88.07593	0.3
91.05454	1.0
93.07021	0.6
95.08606	0.7
98.21438	0.5
105.07013	2.3
107.08575	1.0
109.06506	0.4
109.10123	0.3
115.05462	0.4
117.06998	1.5
119.08556	0.8
121.06501	0.5
121.10136	0.4
128.06230	0.9
129.06949	1.3
130.07790	0.9
131.04924	0.4
131.08551	1.0
133.10101	0.6
134.28645	0.2
135.07996	0.9
135.11668	0.3
141.06940	0.4
143.08536	0.7
144.05672	0.5
145.06415	0.8
145.10110	15.3
147.07971	0.4
147.11658	0.3
153.06908	0.8
154.07800	0.5
155.08540	10.0
157.06468	0.6
157.10143	0.3
158.07253	14.2
159.08022	2.3
159.11667	2.9
160.08931	0.2
161.09576	1.3
163.07510	0.4
169.10101	1.0
171.08035	2.1
172.05112	0.5
172.08838	4.3
173.09596	100.0
174.09953	1.2
175.11115	0.5
177.09105	0.4
180.18954	0.2
183.09169	1.0
185.09592	1.1
186.10385	6.9
186.18401	0.5
187.07599	1.4
187.11157	11.6
187.14812	0.8
188.11633	0.3
191.03348	0.5
191.10640	0.5
200.04660	0.6
200.11890	1.4
205.08492	0.3
215.07043	2.6
215.10745	0.7
215.14282	20.5
233.07980	2.7
233.11722	0.6
233.15314	4.4
233.19031	0.6
233.22726	0.3
234.20662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
54.29353	0.4
56.05031	17.7
56.96558	1.1
57.03430	2.2
58.06590	3.1
64.36942	0.4
67.05496	0.4
69.03427	0.6
70.06588	0.9
70.14979	2.3
72.08156	0.9
74.06070	100.0
75.04478	0.9
79.05482	0.4
81.03412	0.4
81.07039	0.7
83.04911	0.5
84.04497	4.3
84.08159	0.9
85.02901	0.7
86.00623	1.0
86.06030	0.6
86.09696	21.4
86.99048	1.0
91.05440	0.5
97.81998	0.4
98.21393	0.6
98.97598	1.4
101.07101	2.8
104.07099	0.8
104.10751	0.5
105.07006	0.5
113.05987	0.6
116.98612	0.5
120.08113	0.9
121.06539	0.5
126.12791	0.4
128.06242	0.5
129.06970	0.8
130.04947	0.5
132.10188	20.0
133.01616	0.4
143.02751	0.9
143.11830	0.7
158.99522	0.5
159.07982	0.7
169.13362	1.8
170.08092	0.5
171.12131	0.9
172.05206	0.7
177.00719	0.6
187.07486	2.9
187.12769	0.7
187.14394	11.4
189.03314	1.4
200.04602	1.1
205.08556	0.5
215.05038	0.5
215.07007	5.2
215.13913	5.5
233.08078	5.6
233.11400	0.9
233.14937	16.1
233.17323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1168
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03951	0.3
55.01868	0.4
55.05498	0.8
62.04930	0.3
65.03958	0.3
67.05500	1.3
69.03415	3.0
69.07075	1.0
71.04967	0.4
71.07863	0.6
74.06062	0.4
79.05492	2.0
80.05772	0.3
81.03413	0.3
81.07049	1.2
83.04962	1.4
85.06534	0.4
86.09689	0.4
91.05469	3.5
93.07030	2.1
95.04961	1.6
95.08601	1.3
97.06524	3.4
103.05456	0.6
105.03373	0.6
105.07005	4.3
107.04938	0.8
107.08582	1.9
109.06489	1.2
109.10165	0.4
111.04411	1.8
115.05434	1.4
116.06197	0.4
117.07003	1.8
119.04915	0.4
119.08556	6.4
120.08084	0.4
121.06478	2.0
121.10105	0.5
123.08072	1.7
126.66814	0.3
128.06194	1.6
129.06987	4.1
130.07776	1.1
131.04933	0.7
131.08546	4.0
131.09436	0.4
133.06491	0.4
133.10106	1.1
135.08032	100.0
136.06166	0.3
136.08354	1.6
137.05956	2.3
137.09647	0.5
139.07504	0.7
141.06950	2.2
143.08531	1.6
144.05687	0.8
144.09329	3.2
145.06451	2.0
145.10103	5.7
146.07187	0.5
147.04382	0.3
147.08017	1.7
147.11627	1.4
149.05940	0.6
149.09596	0.4
151.07491	2.2
153.06937	0.4
154.07767	1.3
155.08511	2.1
156.09329	5.5
157.06476	2.0
157.10042	0.5
158.07245	4.6
159.04344	0.5
159.08052	5.2
159.11674	13.7
160.08829	0.5
161.05951	1.0
161.09598	1.7
161.13179	0.5
163.07492	0.5
163.11125	1.0
169.10103	3.8
170.10797	0.6
171.08009	1.0
171.11674	2.0
172.05212	1.3
172.08817	14.4
173.09599	32.2
173.13020	0.7
174.06741	0.8
174.10135	0.7
175.07550	1.5
176.04686	0.3
177.05479	0.4
177.09120	0.7
182.07248	0.6
185.05972	0.3
186.10327	0.6
187.07570	3.6
187.11153	31.5
187.14766	0.9
188.11505	1.1
189.09070	1.0
189.12717	2.0
191.07045	0.4
191.10611	1.0
191.14288	0.3
192.99472	0.3
197.09540	1.6
200.04689	1.1
200.08321	0.8
205.04851	0.4
205.08609	0.6
205.12183	1.0
210.65199	0.3
215.07114	6.7
215.10640	21.8
215.14247	2.2
216.10948	0.6
217.10643	0.6
222.18661	0.3
233.04358	0.4
233.08058	7.4
233.11671	17.4
233.15399	1.9
233.18654	0.5
234.11868	0.5
234.18495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01855	1.7
55.05500	11.6
56.05022	2.4
56.05844	0.8
56.96554	55.1
57.03429	4.7
57.07064	0.5
59.04993	0.6
60.04504	0.7
60.95852	0.4
61.02914	6.2
68.05022	0.7
69.03071	0.7
69.03416	7.0
69.07029	0.9
69.69199	3.9
70.06583	4.1
70.44813	0.5
70.98104	4.5
71.01335	0.6
71.04968	2.0
71.06875	0.5
71.95248	0.7
72.04512	0.6
72.08139	3.6
73.02901	5.2
73.06177	0.8
73.06546	11.7
74.06062	8.9
74.97590	2.3
75.04462	1.1
77.00891	0.6
79.05474	0.7
81.03403	4.2
81.07042	0.5
83.02592	0.9
83.04955	0.9
84.04490	21.8
84.08144	2.9
84.96009	2.7
85.02892	9.8
85.06527	0.7
86.06056	7.3
86.09696	6.4
86.99040	0.6
87.04448	1.6
88.99148	3.5
89.00754	0.9
90.76923	0.4
91.05463	1.1
92.03088	0.5
95.04938	0.9
96.01499	0.6
96.04479	2.8
97.00454	0.5
97.02879	8.3
98.03182	0.5
98.06023	0.6
98.97564	34.0
99.04436	1.9
99.97874	1.1
100.07597	0.8
100.99128	3.4
101.00848	2.1
101.02377	0.7
101.05972	0.6
101.07195	0.5
102.03307	0.8
102.05520	1.1
103.00574	0.8
103.02394	1.3
104.03107	0.8
104.07087	22.2
105.02111	0.5
107.00140	0.9
107.04923	1.5
109.02853	1.6
109.03510	0.5
110.01247	1.4
110.03152	0.7
110.07182	0.7
110.97532	3.6
111.03826	0.7
112.02132	0.5
112.07572	0.8
112.99079	1.0
113.02361	0.9
113.03609	0.6
113.05945	0.4
114.09140	0.8
115.03919	1.0
116.98603	26.6
117.01807	0.9
117.03863	1.8
117.98903	0.7
118.01005	0.6
119.00184	3.8
119.01865	9.3
119.03564	1.3
119.04941	0.7
120.02032	0.5
120.97987	0.6
121.01637	2.7
123.04479	0.5
124.95412	0.6
125.03590	1.3
126.96963	0.5
127.01519	0.9
127.03888	3.1
128.02290	3.1
128.06183	0.7
128.98582	6.6
129.02153	0.6
129.06987	0.8
129.10205	0.5
130.04987	3.9
130.08597	3.2
131.00139	3.1
131.01865	1.5
132.10191	1.8
133.01654	2.0
133.03493	2.9
134.99632	13.1
135.01216	0.6
135.08020	0.6
136.07588	0.6
137.01176	0.5
137.02907	1.9
137.05951	2.2
138.05461	0.5
140.00172	0.8
140.98599	1.0
141.06627	0.5
142.04958	4.8
142.08582	0.6
143.00142	1.6
143.01848	3.3
143.03708	0.7
144.21968	0.4
144.98056	1.8
145.01630	3.1
145.03482	1.6
145.04924	0.9
146.02287	0.9
146.04065	6.8
146.99623	8.4
147.01332	1.1
147.03285	6.5
147.04395	1.0
147.05753	1.3
149.01216	3.4
149.02850	1.0
150.01718	0.5
150.96875	0.7
151.02692	0.9
151.04494	0.6
152.02325	0.6
152.07030	2.8
153.00702	1.4
153.03091	0.4
155.04623	100.0
155.54793	9.3
156.01843	0.7
157.03423	0.8
158.01201	0.8
158.99649	13.9
159.03149	0.9
159.06549	0.7
159.07980	1.2
159.99936	0.7
161.01169	4.0
161.02916	6.3
161.04747	3.1
162.03107	0.6
162.99129	3.7
163.00305	0.6
163.02748	3.7
163.03928	1.0
164.05168	30.3
164.55313	3.6
165.00702	7.8
165.04318	6.6
165.05597	0.8
166.55421	10.4
167.02347	0.5
167.05560	1.9
167.06941	0.9
168.01794	0.7
168.98055	1.2
170.01392	1.0
170.08095	9.6
170.99635	1.1
172.97552	3.8
173.01274	2.4
173.02859	2.7
173.04578	0.5
173.06541	1.0
173.50880	0.5
174.99130	1.2
175.00876	0.7
175.04492	0.7
175.55954	1.8
177.00690	14.6
177.02243	0.7
177.04169	1.3
177.05885	1.1
178.01064	1.2
179.02240	2.1
181.00215	0.5
182.02441	0.9
183.01810	2.5
183.05310	0.7
185.02879	0.7
186.04370	0.9
186.99123	6.3
187.00804	0.9
187.02536	2.9
187.04593	0.7
187.07564	2.5
187.10757	0.7
187.14459	1.2
188.05025	0.6
189.00885	2.4
189.02301	0.8
189.04321	1.3
190.06631	0.7
190.98608	20.2
191.00420	1.0
191.02225	6.9
191.03979	2.7
191.05835	1.6
191.07413	2.7
193.00244	0.8
195.01762	1.9
197.09207	0.6
198.07576	3.6
200.02338	0.9
200.04611	0.9
200.54506	0.6
200.56155	1.4
201.00754	0.8
201.02470	0.5
201.04228	0.8
202.04874	1.0
202.98590	0.6
203.02193	0.8
203.03973	1.2
203.05841	0.7
204.04659	1.6
205.00117	5.3
205.03752	1.3
207.01741	3.8
208.96617	0.6
208.99651	15.1
209.03282	1.3
209.06830	1.3
210.02388	0.9
210.04269	0.7
210.06056	0.9
212.02544	0.7
212.06099	0.9
214.00194	1.0
215.03873	3.6
215.07034	5.5
215.10333	1.1
215.13858	0.9
216.08659	9.0
218.98087	1.5
219.01747	1.7
219.05238	1.1
221.03159	0.6
221.05089	0.8
223.01190	1.1
224.04474	1.6
227.00757	1.2
232.01140	0.7
232.96391	0.7
232.99701	2.5
233.03067	0.9
233.05054	4.3
233.06886	2.6
233.08182	3.1
233.11311	8.0
233.15135	1.6
233.18733	0.9
236.99075	0.8
237.02792	1.7
250.97551	1.1
251.00667	2.4
251.04303	0.8
251.08279	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	233.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34715	0.5
53.03923	0.8
55.01862	1.6
55.05235	0.6
55.05503	12.2
56.05015	2.2
56.96557	42.1
57.03428	4.1
58.06580	0.6
58.99841	0.6
59.04971	0.7
60.04491	0.7
61.02915	3.7
62.70017	0.5
66.25841	0.5
67.05505	0.9
68.05002	1.0
69.03421	6.2
69.07052	1.0
70.06594	3.0
70.34652	3.0
70.98112	3.9
71.04974	1.3
71.95236	0.8
72.08155	3.6
73.02907	4.8
73.06549	12.5
74.06067	9.3
74.97586	1.7
75.04458	1.4
81.03419	3.2
81.07037	1.0
83.04967	1.6
84.04495	19.6
84.08131	2.1
84.96015	2.1
85.02897	8.4
85.06515	0.9
86.06049	7.5
86.09695	5.3
86.99054	1.0
87.04430	1.4
88.99145	2.3
90.01536	0.9
91.05463	1.1
92.01298	0.9
92.03111	0.8
92.09580	0.5
94.72209	0.6
95.04951	1.5
96.04490	1.8
97.02870	6.9
97.06543	0.5
98.97566	30.1
99.04444	2.0
99.97878	0.6
100.99146	3.4
101.00832	1.7
101.02376	0.9
102.05509	1.2
103.00623	1.0
103.02426	0.6
104.03088	0.6
104.07090	24.8
105.02086	0.9
105.07005	0.8
107.00159	0.9
107.04928	1.9
109.02854	2.1
110.01283	1.3
110.03102	1.2
110.07127	1.1
110.97574	2.8
111.03854	1.1
112.02192	0.8
112.07587	0.6
112.99135	0.9
113.03621	0.9
114.09126	0.6
115.00687	0.7
116.03059	0.6
116.98609	19.2
117.01910	0.9
117.03857	0.6
118.01009	0.7
119.00185	2.7
119.01862	7.1
119.03574	1.6
119.51945	0.7
120.08087	0.7
121.01623	2.1
123.03185	0.7
125.02555	0.5
125.03571	1.8
127.01533	0.6
127.03905	3.1
127.08703	0.7
128.02304	1.8
128.06183	0.7
128.98584	5.5
129.02193	1.1
129.07007	1.4
129.10178	0.6
130.04976	3.3
130.08635	1.5
131.00206	2.6
131.01872	0.9
132.10185	1.9
133.01733	0.7
133.03432	2.2
134.02312	0.9
134.99629	7.8
135.03162	0.7
135.04378	0.7
137.02821	1.0
137.05972	1.2
140.98569	1.1
141.01263	0.7
141.06575	1.0
142.04979	4.4
143.00148	1.7
143.01883	1.7
144.98048	1.3
145.01688	1.4
145.04929	0.5
146.02269	0.9
146.04099	6.6
146.05940	0.8
146.99628	7.0
147.03264	5.9
147.05748	0.8
149.01195	3.9
150.92424	0.6
150.96860	0.6
151.04510	0.6
152.07007	2.3
153.00652	0.9
155.04631	100.0
155.54793	8.2
156.04836	0.9
158.99660	15.6
159.07988	1.7
161.01260	3.2
161.02924	5.1
161.04727	1.8
162.99138	3.3
163.02715	2.3
163.03998	1.8
164.05183	38.7
164.55336	4.7
165.00719	6.0
165.04332	6.5
166.55434	11.3
167.05618	1.0
167.06973	0.7
168.98071	1.4
170.01379	0.7
170.08099	10.1
170.99614	1.3
171.05884	0.6
171.09122	0.8
172.97557	3.0
173.01202	1.8
173.02892	1.6
175.04286	0.6
175.55931	2.0
177.00685	14.8
177.02245	0.7
177.04211	0.7
178.01146	0.6
179.02249	1.5
181.00198	0.8
183.01848	1.5
184.04913	1.1
186.99103	5.2
187.02739	2.7
187.04337	0.9
187.07527	3.6
187.10796	0.8
187.14456	1.2
188.05106	0.8
189.00705	1.2
189.06039	0.7
190.98625	12.4
191.00494	0.8
191.02252	4.8
191.04013	1.8
191.05833	1.3
191.07603	1.5
193.03656	0.7
195.01807	1.1
197.03789	0.8
197.09198	0.6
198.07675	3.7
200.04613	1.2
201.04341	0.7
203.02156	1.1
203.03976	1.3
204.04646	1.4
204.98413	0.7
205.00172	4.3
205.03732	1.5
207.01755	1.6
207.05338	0.9
208.99658	9.4
209.03232	1.2
209.06972	0.6
210.02562	1.0
210.04388	0.7
210.06229	0.8
215.03844	2.7
215.07027	8.2
215.10292	1.3
215.14015	0.7
215.54068	0.7
216.08650	10.3
219.01706	1.3
219.05167	1.1
223.01143	1.6
224.04395	2.1
227.00706	1.5
228.01740	0.6
231.01595	0.7
231.05342	0.8
232.01402	0.7
232.96555	0.6
232.99663	1.7
233.01578	0.7
233.04878	1.3
233.06366	0.6
233.08476	5.2
233.11237	8.9
233.15187	2.1
234.05743	1.1
235.55238	0.6
237.02792	1.9
251.00681	1.9
251.04572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1699
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03941	0.3
55.01877	0.2
55.05502	10.5
57.03426	0.3
57.05807	0.8
63.83188	0.2
65.56242	0.2
67.05477	0.3
68.99813	0.2
69.03397	1.1
69.07063	0.3
70.06585	0.8
70.57056	0.8
71.04979	0.8
72.08141	100.0
73.08472	0.4
79.05476	1.7
81.03400	0.5
81.07043	4.8
82.07389	0.2
83.04962	0.8
83.08603	0.7
83.40195	0.2
84.08133	0.4
85.02912	0.6
85.06533	0.6
86.09689	5.5
86.10184	0.4
87.00806	1.9
88.07636	0.2
91.05475	0.3
97.06507	0.4
98.97567	0.2
99.08076	0.6
105.01867	0.3
109.06495	2.6
111.04462	0.2
113.82079	0.2
116.07108	0.3
117.09100	0.2
127.03895	0.5
127.07529	2.8
129.06931	0.2
132.10176	3.8
134.99608	0.2
136.06235	0.2
145.08611	1.2
157.06477	0.3
163.03853	0.3
170.11780	0.3
185.16508	1.2
216.02258	0.4
216.04041	1.7
231.02864	0.3
231.06544	1.3
231.08464	0.4
231.10405	0.3
231.14348	0.4
231.16994	5.2
232.11938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	3.8
57.07072	1.8
57.65733	0.8
63.62252	0.9
67.05494	14.1
67.47547	0.8
69.07050	7.5
70.06561	1.4
71.79942	1.2
79.05480	5.4
79.05890	1.3
81.07038	18.6
83.08596	3.5
86.76956	0.8
91.05482	4.6
93.07028	18.8
95.04942	1.1
95.08594	42.9
97.10151	2.2
99.06278	0.9
105.07009	10.2
107.08578	23.3
109.10143	25.2
119.08570	12.0
121.09244	1.4
121.10127	26.8
123.10855	1.7
123.11687	23.5
131.08556	1.1
133.10123	9.2
135.11674	27.7
137.13254	6.5
137.14226	1.4
140.38263	1.1
147.11671	10.0
149.13231	12.5
149.85895	0.9
152.84789	0.9
161.13245	16.6
174.12733	2.1
175.14792	14.0
189.16370	8.7
203.17923	1.7
216.04169	3.0
231.06453	3.5
231.10101	2.5
231.13982	3.8
231.21043	100.0
232.11697	1.6
232.21317	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	231.1375
Annotation	2,7-dihydroxycadalene
Peak:m/z	Relative Intensity
55.05481	0.8
57.07058	0.5
58.00941	0.2
67.05476	0.5
69.03413	1.5
69.07043	0.9
70.98260	0.3
70.98592	0.4
71.04971	0.5
74.59113	0.2
79.05473	1.2
79.05863	0.2
81.03387	0.7
81.07036	1.3
83.01311	0.7
83.04948	0.6
83.08605	0.2
85.02886	0.9
87.00830	0.3
91.05479	1.7
93.07017	0.7
95.04942	0.7
95.08612	0.5
97.02885	0.3
98.06029	0.3
105.07024	2.0
105.30460	0.3
107.08581	3.4
109.06467	0.7
109.10155	0.2
111.04430	0.4
117.06987	0.5
119.04951	0.4
119.08591	1.4
121.06467	0.5
121.10121	0.6
127.03852	0.5
128.06171	0.9
129.06973	0.7
130.07742	0.4
130.58525	0.2
131.08516	0.7
133.06465	0.7
133.10109	1.5
135.07990	0.4
137.05957	5.9
142.07716	0.3
143.08530	3.1
145.06493	0.5
145.10107	1.5
146.07195	0.3
147.07991	0.7
147.11679	0.8
151.07538	1.3
155.08546	0.4
157.06491	0.3
157.10088	1.0
159.08064	0.7
159.11679	0.5
160.05130	0.6
161.05968	1.9
161.09607	2.9
161.13280	0.3
162.06757	0.3
163.07466	0.3
165.06964	0.2
170.10869	0.4
171.08008	1.7
171.11618	0.5
173.06006	0.3
173.09599	0.6
173.13292	0.2
174.06740	3.5
174.10287	0.3
175.07513	7.0
175.11151	0.5
175.14706	0.2
176.08322	2.6
177.09158	0.5
178.21262	0.2
185.09639	0.5
185.13194	1.2
187.07510	0.7
188.08257	1.9
189.09074	23.4
190.09315	0.3
198.10408	0.6
201.09077	5.3
202.09834	4.9
203.06972	0.2
203.10637	2.7
203.14307	0.8
213.09184	0.4
213.12723	2.6
213.16409	0.5
215.10646	0.5
216.04161	1.6
216.11420	12.0
217.11740	0.4
231.06432	1.6
231.13762	100.0
232.14046	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	231.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.7
57.03428	0.9
57.07063	1.1
57.92405	0.5
58.06589	3.3
59.06924	0.6
61.02928	0.8
62.06072	0.6
65.03905	0.5
65.57413	0.4
67.05479	0.7
69.03421	10.7
69.55675	2.2
69.56104	2.7
69.96912	0.5
71.01328	0.8
71.04989	0.9
83.04971	81.2
85.02383	0.9
85.02895	17.4
87.00822	2.4
89.02402	0.6
91.05514	0.6
101.06013	1.7
105.07001	0.6
111.04428	100.0
112.04762	0.6
119.08573	0.5
127.03901	1.9
129.05469	13.1
133.54556	0.4
153.05452	19.3
161.43738	0.6
171.06538	6.4
201.44498	0.5
216.04085	1.8
228.69542	0.6
230.24704	3.5
230.27313	1.3
231.06416	1.7
231.08548	1.4
231.13824	1.2
231.17334	0.9
231.25099	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	231.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32620	0.8
55.05503	13.0
55.90593	0.9
57.03411	1.5
61.02919	1.7
67.97800	0.8
69.03407	3.3
69.46955	3.9
69.47396	6.5
71.04959	2.2
83.04964	100.0
85.02888	92.1
85.03307	1.4
88.48310	0.9
99.62037	1.0
101.05982	2.1
111.04419	78.7
115.04010	0.9
119.08530	1.1
127.03889	7.0
129.05449	12.1
153.05447	8.4
157.10014	1.2
171.06479	13.9
185.13303	1.1
230.24754	1.6
231.06485	1.6
231.08568	8.9
231.13779	2.7
231.25012	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97328	0.9
53.03925	2.4
55.05503	32.6
57.03418	3.4
57.07048	2.5
59.04977	1.7
61.15440	0.7
67.05479	2.3
68.99757	1.8
69.03417	8.5
70.06573	1.1
70.14448	2.5
70.14840	1.6
71.04977	9.4
71.08620	4.0
72.08156	4.4
73.22237	0.8
74.02399	0.9
79.05483	20.9
81.03409	1.3
81.07043	100.0
83.04970	13.1
83.08169	0.9
83.08613	14.2
85.02892	1.6
85.06531	9.6
86.09676	2.2
87.00815	37.9
87.04452	1.4
91.05471	1.3
93.07018	1.1
94.09374	0.9
95.04938	1.5
99.04425	1.1
99.08073	8.7
99.10043	1.1
101.06010	1.7
105.01837	4.4
109.06503	54.2
113.92169	0.8
117.09158	3.8
117.09859	0.8
119.08586	1.3
120.23750	0.9
127.07535	57.1
128.06207	1.1
143.08527	0.9
145.08575	20.6
157.06378	0.8
157.10091	1.0
158.09697	4.4
171.08035	1.3
175.07504	2.0
176.68549	0.9
177.05363	1.1
185.09686	1.1
189.09079	1.0
190.13107	1.1
203.06906	1.2
203.08633	1.9
216.04243	4.8
231.06435	5.9
231.08441	10.4
231.13789	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	230.1898
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
53.93121	0.1
55.05494	0.3
60.75343	0.2
67.05477	0.3
68.05817	0.2
69.03397	0.5
70.06568	0.4
71.38879	0.4
72.08128	0.6
81.03381	0.3
81.07006	0.3
83.04958	0.3
84.08117	0.4
85.02860	0.3
85.06533	0.2
86.06042	0.6
93.06999	0.2
97.02865	0.3
98.06024	0.6
105.06960	0.2
110.10462	0.3
115.05484	0.2
119.08556	0.5
130.06450	0.8
131.07246	0.2
132.08026	0.2
140.10680	0.7
144.07983	0.2
145.08904	0.2
145.10051	0.3
147.11641	0.4
158.09570	0.9
160.07535	0.2
172.11115	0.8
173.11971	2.1
186.12761	0.8
187.13522	6.9
188.14285	1.0
189.12694	0.7
194.08023	0.3
200.14305	1.6
201.15059	0.5
202.15862	0.3
203.10616	0.5
212.09094	0.2
212.12724	0.7
213.12827	0.3
214.15860	8.0
215.16638	1.5
216.04114	0.5
230.18985	100.0
231.06430	0.6
231.10208	0.2
231.13829	0.5
231.17255	0.3
231.19304	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	230.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	38.2
57.03449	0.6
61.02917	1.0
68.82012	0.4
69.03420	0.5
69.07072	0.5
70.06586	0.7
70.24441	2.0
70.98115	0.7
71.95257	3.0
72.96037	1.0
73.02905	0.6
74.97617	1.1
83.97631	1.2
84.08132	3.3
84.96030	1.2
85.02894	0.6
86.09695	4.1
87.44503	0.4
90.79071	0.4
97.02844	0.6
97.99171	0.8
98.97570	100.0
99.97918	0.7
101.00903	0.5
101.98700	0.5
106.86466	0.4
110.97573	0.5
112.68310	0.4
114.09159	0.5
116.00204	2.5
116.98606	90.0
119.01885	1.5
120.02044	1.5
121.01618	0.4
122.63522	0.5
124.00771	0.4
126.02281	0.7
127.03912	0.5
128.02318	0.6
128.98573	0.6
131.00130	0.7
133.51584	0.4
134.01231	3.3
134.99638	49.3
138.02936	0.5
140.00145	2.1
140.03801	1.6
140.09593	0.4
140.10709	1.0
142.05371	1.8
142.96509	0.5
144.03313	0.7
146.99599	1.3
148.03827	0.6
148.54016	0.6
149.01219	0.4
152.02222	0.4
153.00682	7.2
158.01231	1.6
158.04854	3.6
158.19356	0.4
158.99693	0.6
160.06439	5.2
165.00705	0.6
170.04927	1.3
171.03275	0.8
174.04239	0.4
176.05919	1.1
177.00725	0.7
178.07494	1.9
186.11230	1.1
188.01094	0.8
188.05920	3.3
188.97057	0.7
189.00644	0.9
189.04321	10.1
190.98613	0.4
202.07500	0.8
206.06981	8.2
206.98058	1.0
207.01701	1.1
207.05403	6.4
212.05786	0.8
212.07640	0.9
216.00314	0.4
220.08362	0.5
220.56091	0.7
224.08034	12.0
230.06924	14.9
230.08728	1.3
230.13705	0.7
230.15773	1.3
230.18324	0.5
231.05380	2.3
248.08049	32.1
248.99144	1.0
249.06450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14654	0.4
53.03939	1.6
53.18161	0.4
54.37073	0.4
55.01869	1.8
55.05500	1.9
55.13820	0.4
56.05028	1.5
57.03419	0.8
57.07070	1.0
58.99580	13.4
61.01152	0.5
65.03935	0.4
67.04226	0.7
67.05492	1.4
68.05022	1.7
69.03416	1.4
69.07064	3.3
70.06588	8.0
71.04987	1.0
71.78781	0.6
72.08149	6.4
73.02895	0.8
76.03989	0.5
78.31771	0.4
79.05480	1.1
79.25794	0.4
80.05009	12.4
81.03407	1.2
81.05795	1.5
81.07052	3.0
82.06576	13.1
83.04968	0.9
84.04487	3.5
84.08128	7.2
84.08596	0.3
84.12147	0.4
84.33569	0.4
85.01125	2.1
85.02910	1.1
85.06558	0.6
86.00645	2.9
86.06065	2.8
86.09694	8.7
86.99045	11.4
87.00829	1.2
88.03980	0.6
91.05478	0.5
93.07056	0.5
95.04956	0.7
96.04517	0.5
96.08184	0.5
97.02871	1.4
97.06522	0.5
97.09007	0.5
98.06052	4.6
98.09046	1.0
98.09685	20.4
99.04435	0.8
100.03986	0.9
105.00076	6.5
107.04949	0.7
107.07239	0.5
108.04470	13.8
109.06512	1.6
110.06004	0.7
112.02183	0.8
112.08733	0.8
114.05520	4.2
114.09083	0.5
116.07084	2.2
118.06481	0.4
120.08089	0.5
124.03941	2.0
124.04758	0.7
126.05503	60.5
127.07545	1.2
128.07066	0.8
129.10229	0.9
130.08653	0.9
131.01611	4.4
132.01160	2.2
134.05966	0.7
135.06789	1.1
138.03729	1.5
138.05362	0.4
140.05301	1.8
140.10721	2.0
140.14322	8.5
142.08614	7.1
144.34612	0.4
145.08611	0.6
146.12288	0.5
156.08112	0.7
158.02701	8.8
166.03197	0.5
166.04912	0.6
166.08553	1.9
167.07051	3.2
168.07362	11.6
170.02760	0.4
170.08159	0.5
182.08147	0.6
184.04266	19.4
184.07672	1.5
184.09685	12.2
185.09503	0.4
186.05838	8.4
186.14890	14.1
194.08160	1.1
202.05310	0.8
212.03751	27.9
212.09142	7.6
212.12608	2.3
216.04158	1.0
230.04799	100.0
230.09752	3.5
230.13779	3.5
231.06546	0.8
242.19604	0.5
252.10199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1795
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03939	1.6
55.01868	3.1
55.05503	48.4
57.03430	7.1
57.07066	6.9
59.04999	9.6
59.68878	1.5
67.05495	32.8
69.03419	16.3
69.07054	21.8
70.06570	2.4
71.04968	12.4
71.16154	4.0
72.08146	1.8
79.05475	8.4
81.03408	3.9
81.06586	2.4
81.07045	26.0
82.80563	1.2
83.04967	52.9
83.08607	38.3
85.02867	1.5
85.06532	24.2
87.04462	3.5
91.05455	8.0
93.07021	20.0
95.04961	10.2
95.08597	24.1
97.02888	3.9
97.06530	4.0
97.10151	7.1
98.06027	3.0
99.00823	2.9
99.08089	18.2
101.05983	7.5
105.06998	8.5
107.08580	30.5
109.02859	2.0
109.06520	3.4
109.10140	87.0
110.09663	3.1
111.08070	6.2
113.09647	2.3
114.84824	1.3
117.07008	3.1
119.08554	13.4
121.10104	13.4
123.08064	3.9
123.11685	39.9
123.13092	1.7
125.09615	17.6
127.07551	2.0
127.11176	37.5
129.06949	3.2
131.08531	4.3
133.10104	9.7
135.11671	24.4
137.09561	3.7
138.10406	1.6
139.11186	2.6
141.12686	2.9
143.08527	1.8
145.06412	1.5
145.10095	3.3
147.11682	3.9
149.13235	17.5
151.11174	10.1
151.14780	2.9
152.10785	2.0
153.12732	4.1
155.08598	1.7
157.10052	1.9
159.08046	1.9
159.11690	4.3
165.16396	1.7
167.07042	2.7
167.10562	2.5
167.14301	42.1
168.09328	1.4
169.10054	3.2
169.12212	44.0
171.11569	2.1
173.09622	1.9
173.11743	2.3
173.13229	1.9
175.11107	1.5
175.14819	10.4
175.20386	1.4
181.42615	1.7
183.08032	1.9
183.11636	3.1
184.09705	1.8
185.15349	15.1
187.14853	2.6
193.08650	2.0
193.12212	4.7
193.15881	16.8
201.09256	1.7
201.12669	1.9
211.13316	6.1
211.16898	100.0
229.05031	1.9
229.08606	4.3
229.11964	8.3
229.13985	4.6
229.15842	7.4
229.17986	19.2
229.19940	2.0
229.23511	2.5
230.13846	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.01867	0.7
55.05499	9.3
55.15775	0.7
57.03428	20.5
57.07062	1.9
59.04993	5.2
65.03941	1.8
67.05493	100.0
68.05843	0.9
69.07060	2.7
71.04983	3.3
79.05478	2.1
81.07044	14.8
82.07363	0.9
83.08605	7.3
85.06532	3.6
86.06020	1.4
91.05466	5.5
93.07037	4.1
95.08596	7.2
98.06053	1.3
99.08089	1.0
104.77273	0.6
105.07012	1.5
107.08591	3.3
109.10138	95.8
110.10475	1.2
111.08079	3.7
117.06957	0.9
119.08556	7.3
121.10154	0.8
127.11152	0.9
131.08540	1.4
135.07936	0.7
137.09563	5.2
145.10042	1.0
147.11717	1.1
155.08501	0.6
155.10605	5.5
159.11688	1.3
173.11708	36.7
173.13046	1.3
176.15068	0.7
183.11539	0.7
194.08102	0.8
209.80998	0.7
229.08562	1.4
229.12344	2.9
229.14287	42.2
229.19321	4.6
229.23480	4.3
230.13899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.122
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03933	4.0
55.01846	1.5
55.05503	6.9
57.03424	4.0
57.07050	1.8
58.92086	0.6
59.04968	1.7
60.97500	0.6
61.02928	0.8
65.03933	0.8
67.05493	12.7
68.47283	0.5
69.03419	18.8
69.07053	3.8
70.06588	1.6
70.08454	0.6
70.14304	2.7
70.14716	0.9
71.04982	1.6
72.08152	0.8
79.05470	3.7
81.03397	2.1
81.07044	8.7
83.04972	7.3
83.08610	4.8
84.08156	0.6
85.02884	0.8
85.06522	2.2
85.26426	0.6
88.05289	0.5
89.29649	0.5
91.05466	7.6
93.03371	1.4
93.07030	8.5
95.04966	3.5
95.08589	5.8
97.02865	1.9
97.06506	1.1
97.10146	1.3
98.97577	0.8
99.00816	1.5
99.04453	0.8
99.08055	1.7
101.05939	1.0
105.07024	8.6
107.04955	0.6
107.08562	4.9
109.02863	16.9
109.06489	2.5
109.10137	15.6
111.08043	1.8
115.05408	2.0
117.07005	3.0
119.04845	0.6
119.08569	10.4
121.06495	7.5
121.10124	4.2
123.08076	1.0
123.11676	4.6
125.09608	2.5
127.07521	0.8
127.11191	3.2
128.06186	2.5
129.06973	4.6
130.07719	1.1
131.08545	11.2
133.06470	0.7
133.10101	10.0
135.08023	1.5
135.11635	2.7
137.09572	1.1
139.11188	0.6
141.06906	1.2
142.07741	2.9
143.08537	10.5
144.09309	4.5
145.06476	3.0
145.10091	10.3
147.08003	0.8
147.11665	2.7
149.13214	1.3
151.11154	1.6
153.06972	1.5
153.12746	0.8
155.08545	6.3
156.09322	1.3
157.06473	0.8
157.10094	3.9
158.07237	1.7
158.10907	12.1
159.08026	6.4
159.11661	9.9
165.12703	0.6
167.07001	1.4
167.08424	0.8
167.10657	1.3
167.14310	3.7
168.09276	4.2
169.10033	2.9
169.12231	4.7
170.10899	5.6
171.08054	6.5
171.11668	2.1
172.08807	6.8
173.06027	1.0
173.09602	28.3
173.11800	2.3
173.13214	35.7
175.07491	1.8
175.14822	1.6
177.00804	0.7
181.06436	1.3
183.08038	1.2
183.11659	9.4
185.09602	1.6
185.13220	2.0
185.15369	1.3
186.10387	18.3
186.12086	1.0
187.07567	1.7
187.11154	51.2
189.09082	0.8
193.10156	1.0
193.12262	1.6
193.15834	2.7
195.08011	1.0
196.08823	4.4
199.07556	1.7
201.12711	53.7
211.09404	1.0
211.11159	9.9
211.13240	3.1
211.14954	1.1
211.16873	10.3
214.09816	3.1
229.08505	2.6
229.12210	100.0
229.15927	3.7
229.19530	2.4
229.23537	1.3
230.18970	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	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73022	0.3
53.03934	0.5
55.01850	0.9
55.05496	1.1
57.03416	0.6
57.07048	0.3
58.99569	1.0
60.05640	0.4
61.02910	0.3
67.05489	1.4
69.03407	0.8
69.07052	1.2
70.06582	7.0
71.04977	0.8
71.78842	0.4
72.08146	1.9
72.93782	0.3
75.86828	0.3
78.04710	1.9
79.05480	2.1
80.04997	1.0
81.03383	0.8
81.07055	2.2
82.06554	1.1
83.01319	0.3
83.04939	0.5
83.08588	0.3
84.04471	0.5
84.08142	2.7
85.02890	1.2
85.06506	0.4
86.00644	0.4
86.09700	3.5
86.99035	1.1
91.05473	2.6
93.07040	1.9
94.51116	0.3
95.04961	2.2
95.08574	0.7
96.08114	0.3
97.02873	0.5
97.06540	0.7
97.62767	0.3
98.06006	0.4
98.09677	1.0
99.00810	0.6
99.04441	0.5
103.05465	1.5
105.00080	0.6
105.03407	0.5
105.07024	1.4
106.04152	1.3
106.72378	0.3
107.04950	1.9
107.08566	0.5
108.04475	1.2
109.02857	0.4
109.06511	0.6
110.07096	0.3
111.04434	0.7
111.08080	0.4
112.08691	0.3
114.05563	0.3
116.07066	2.1
117.06988	0.4
119.04959	0.5
119.08583	0.6
121.06498	2.5
121.10146	0.4
122.03579	0.4
123.04424	6.0
123.08042	1.1
124.05187	2.1
125.06057	0.5
126.05492	4.8
128.06154	0.3
129.07019	0.3
129.10237	0.8
131.08562	0.3
133.06465	0.5
133.10083	0.4
135.06839	0.5
137.05945	0.8
139.03867	0.7
139.07513	0.8
140.04646	0.6
141.06956	0.5
142.08669	0.5
145.06544	0.4
149.05942	2.5
151.03860	1.1
151.07521	0.4
152.04628	1.5
153.06882	0.3
155.07040	0.7
155.08466	0.8
158.02727	0.9
161.06032	0.6
165.09123	0.4
166.06296	0.5
167.07019	100.0
168.07404	0.9
168.09320	0.5
173.09521	0.3
174.70306	0.3
179.07155	0.3
181.08589	2.6
182.08345	0.3
183.09235	0.5
183.11613	1.2
184.04185	1.5
184.09583	0.8
186.05817	0.9
186.14890	0.5
193.08568	2.5
193.10039	0.3
201.09096	0.6
201.12553	0.3
205.98749	0.4
211.09566	0.9
211.11391	0.4
212.03741	2.6
212.09009	0.3
229.04964	1.0
229.08665	1.0
229.12158	1.5
229.15700	1.6
229.23569	0.6
230.04805	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	229.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01852	5.1
55.05495	2.5
56.96555	27.6
57.03425	14.3
58.06590	4.9
58.99844	1.9
59.04958	1.4
60.08150	7.8
61.02919	35.3
66.55723	0.9
68.49435	1.0
69.03423	9.4
69.07056	1.5
69.64790	2.5
69.65200	7.1
70.06582	35.3
70.98123	5.7
71.01324	1.3
71.04968	1.8
71.95240	1.0
72.04543	0.9
72.08129	3.3
73.02905	21.1
74.00219	1.2
74.06053	4.5
74.97602	2.2
81.03388	4.5
81.04512	2.1
82.99815	1.0
83.00786	1.3
84.04457	2.1
84.08106	3.0
84.26942	1.0
84.96004	2.8
85.02885	22.2
86.09683	8.1
87.04451	1.3
88.99138	3.7
89.00766	2.8
90.01521	2.8
91.03890	1.8
92.01279	2.7
95.01349	1.2
95.01944	1.2
95.06065	3.9
96.01504	1.8
96.08112	2.6
97.02243	1.0
97.02874	18.3
98.01279	4.1
98.97565	33.5
99.04434	5.1
101.00861	17.5
101.02396	0.9
102.00954	1.1
102.96904	1.1
103.00617	1.3
103.02410	2.5
103.03852	1.2
104.01243	2.8
105.02031	1.5
106.00996	1.9
107.01778	1.2
109.02843	2.7
110.01247	7.3
110.51421	2.1
110.97548	6.3
111.02063	1.2
111.02827	1.2
111.18456	1.1
112.00967	1.1
112.99119	1.1
113.02373	1.1
114.05502	2.9
114.06602	3.0
114.09110	4.2
115.02366	1.7
115.03904	2.0
116.01239	1.0
116.06359	1.3
116.07082	12.9
116.98612	15.8
117.01895	3.9
118.00997	4.0
118.03517	1.1
118.08675	1.4
118.51447	1.0
119.01884	98.1
119.51902	1.2
120.01964	4.0
121.01583	2.0
121.03498	1.2
123.00256	1.1
124.01027	1.8
124.07548	3.1
125.01727	1.8
126.00722	2.7
126.02545	1.5
127.01517	2.5
127.03879	9.2
127.04889	2.4
128.02309	28.3
128.98575	10.1
129.10246	1.0
130.03471	1.1
131.00134	2.3
131.01868	8.2
132.00771	5.3
133.01582	4.3
133.03450	14.0
134.02246	1.6
134.99606	5.5
135.03056	9.2
135.03976	2.0
137.01817	1.0
137.02896	29.1
137.53119	1.0
138.00706	2.2
139.01466	4.2
139.04195	2.1
139.53119	1.2
140.02299	1.6
140.03288	1.2
140.98570	1.2
141.01234	5.1
142.02106	1.2
142.03485	2.3
142.08617	28.2
142.96463	3.6
143.00119	2.7
143.01830	4.4
144.03593	4.2
144.98027	1.3
144.99783	10.3
145.01555	3.1
145.03423	2.7
146.02271	2.2
146.03386	1.2
146.99631	14.5
147.01314	5.8
147.03036	1.7
147.04073	1.2
147.55894	1.6
148.02065	6.0
148.03653	8.9
148.04866	8.2
148.54866	1.8
149.01097	2.3
149.02858	3.2
151.02698	1.7
151.04539	5.0
152.02307	1.6
153.01265	2.4
154.02017	2.9
155.02817	3.4
156.01793	1.0
157.02423	5.8
157.04536	5.4
158.99602	4.8
159.01161	1.5
159.52840	1.2
159.55630	1.9
160.01987	4.0
160.97514	2.0
161.01163	3.0
161.02893	7.6
162.01776	7.6
162.02953	2.0
163.02623	4.5
163.04482	1.5
165.00662	5.6
165.06602	1.2
167.02792	1.4
168.01782	8.1
168.51964	2.2
168.99748	7.6
169.02568	8.2
170.08078	2.4
170.99643	3.6
171.02255	1.2
171.05026	1.2
172.97688	1.9
172.99274	2.2
173.01399	1.2
173.02921	4.3
174.01788	3.0
174.04492	1.6
174.99094	3.6
175.02614	4.7
175.04477	8.2
175.52675	1.4
176.03285	2.7
177.00658	5.6
177.02304	10.7
177.52452	2.3
178.02924	3.7
179.02228	1.5
183.02313	9.3
183.11276	4.8
183.52612	1.8
184.03062	12.3
184.04742	2.8
184.53224	1.5
185.02859	1.4
186.99178	1.9
187.00844	21.3
187.02579	1.7
187.04509	3.2
188.97018	2.9
189.00717	8.2
189.02209	2.1
190.02983	6.8
190.98575	3.3
191.02257	1.7
191.03914	2.4
192.02824	7.8
193.00197	5.1
193.03632	4.6
196.99246	3.5
197.00941	1.9
201.00716	4.8
202.98608	2.5
203.03978	3.2
204.02821	4.5
205.00102	5.2
205.01938	4.0
205.03578	1.5
206.98033	1.7
207.01744	3.2
208.99545	1.3
211.01125	1.8
211.03529	2.5
211.05598	1.3
213.03326	9.4
214.98409	1.4
215.00343	19.4
215.02312	1.1
217.00174	2.9
219.01678	6.2
220.04083	7.6
220.06020	5.6
223.01167	4.3
229.03297	2.8
229.06522	3.4
229.11893	9.0
229.15422	100.0
230.98030	1.9
235.01161	2.2
237.02696	3.8
244.99628	1.6
245.05150	1.5
247.01007	2.6
247.04759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1743
Annotation	erythrinan
Peak:m/z	Relative Intensity
51.84968	0.1
52.76883	0.1
58.28592	0.1
66.64166	0.1
67.05488	0.1
81.03413	0.2
81.07028	0.2
84.08115	0.2
95.08624	0.2
97.06547	0.2
98.21455	0.3
105.06999	0.1
109.10090	0.3
120.40563	0.1
140.07037	0.2
156.08025	1.1
158.09573	0.3
167.07057	0.2
168.07359	0.2
170.09601	1.2
171.10403	1.6
172.11128	0.1
182.08121	0.2
182.09630	0.2
184.11128	0.9
185.11980	0.9
186.12701	0.4
198.12764	2.0
199.13512	0.3
200.14326	0.3
211.13222	0.2
212.14310	25.2
213.15086	3.8
226.15871	0.4
228.17436	100.0
229.12120	0.2
229.17789	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01852	5.1
55.05495	2.5
56.96555	27.6
57.03425	14.3
58.06590	4.9
58.99844	1.9
59.04958	1.4
60.08150	7.8
61.02919	35.3
66.55723	0.9
68.49435	1.0
69.03423	9.4
69.07056	1.5
69.64790	2.5
69.65200	7.1
70.06582	35.3
70.98123	5.7
71.01324	1.3
71.04968	1.8
71.95240	1.0
72.04543	0.9
72.08129	3.3
73.02905	21.1
74.00219	1.2
74.06053	4.5
74.97602	2.2
81.03388	4.5
81.04512	2.1
82.99815	1.0
83.00786	1.3
84.04457	2.1
84.08106	3.0
84.26942	1.0
84.96004	2.8
85.02885	22.2
86.09683	8.1
87.04451	1.3
88.99138	3.7
89.00766	2.8
90.01521	2.8
91.03890	1.8
92.01279	2.7
95.01349	1.2
95.01944	1.2
95.06065	3.9
96.01504	1.8
96.08112	2.6
97.02243	1.0
97.02874	18.3
98.01279	4.1
98.97565	33.5
99.04434	5.1
101.00861	17.5
101.02396	0.9
102.00954	1.1
102.96904	1.1
103.00617	1.3
103.02410	2.5
103.03852	1.2
104.01243	2.8
105.02031	1.5
106.00996	1.9
107.01778	1.2
109.02843	2.7
110.01247	7.3
110.51421	2.1
110.97548	6.3
111.02063	1.2
111.02827	1.2
111.18456	1.1
112.00967	1.1
112.99119	1.1
113.02373	1.1
114.05502	2.9
114.06602	3.0
114.09110	4.2
115.02366	1.7
115.03904	2.0
116.01239	1.0
116.06359	1.3
116.07082	12.9
116.98612	15.8
117.01895	3.9
118.00997	4.0
118.03517	1.1
118.08675	1.4
118.51447	1.0
119.01884	98.1
119.51902	1.2
120.01964	4.0
121.01583	2.0
121.03498	1.2
123.00256	1.1
124.01027	1.8
124.07548	3.1
125.01727	1.8
126.00722	2.7
126.02545	1.5
127.01517	2.5
127.03879	9.2
127.04889	2.4
128.02309	28.3
128.98575	10.1
129.10246	1.0
130.03471	1.1
131.00134	2.3
131.01868	8.2
132.00771	5.3
133.01582	4.3
133.03450	14.0
134.02246	1.6
134.99606	5.5
135.03056	9.2
135.03976	2.0
137.01817	1.0
137.02896	29.1
137.53119	1.0
138.00706	2.2
139.01466	4.2
139.04195	2.1
139.53119	1.2
140.02299	1.6
140.03288	1.2
140.98570	1.2
141.01234	5.1
142.02106	1.2
142.03485	2.3
142.08617	28.2
142.96463	3.6
143.00119	2.7
143.01830	4.4
144.03593	4.2
144.98027	1.3
144.99783	10.3
145.01555	3.1
145.03423	2.7
146.02271	2.2
146.03386	1.2
146.99631	14.5
147.01314	5.8
147.03036	1.7
147.04073	1.2
147.55894	1.6
148.02065	6.0
148.03653	8.9
148.04866	8.2
148.54866	1.8
149.01097	2.3
149.02858	3.2
151.02698	1.7
151.04539	5.0
152.02307	1.6
153.01265	2.4
154.02017	2.9
155.02817	3.4
156.01793	1.0
157.02423	5.8
157.04536	5.4
158.99602	4.8
159.01161	1.5
159.52840	1.2
159.55630	1.9
160.01987	4.0
160.97514	2.0
161.01163	3.0
161.02893	7.6
162.01776	7.6
162.02953	2.0
163.02623	4.5
163.04482	1.5
165.00662	5.6
165.06602	1.2
167.02792	1.4
168.01782	8.1
168.51964	2.2
168.99748	7.6
169.02568	8.2
170.08078	2.4
170.99643	3.6
171.02255	1.2
171.05026	1.2
172.97688	1.9
172.99274	2.2
173.01399	1.2
173.02921	4.3
174.01788	3.0
174.04492	1.6
174.99094	3.6
175.02614	4.7
175.04477	8.2
175.52675	1.4
176.03285	2.7
177.00658	5.6
177.02304	10.7
177.52452	2.3
178.02924	3.7
179.02228	1.5
183.02313	9.3
183.11276	4.8
183.52612	1.8
184.03062	12.3
184.04742	2.8
184.53224	1.5
185.02859	1.4
186.99178	1.9
187.00844	21.3
187.02579	1.7
187.04509	3.2
188.97018	2.9
189.00717	8.2
189.02209	2.1
190.02983	6.8
190.98575	3.3
191.02257	1.7
191.03914	2.4
192.02824	7.8
193.00197	5.1
193.03632	4.6
196.99246	3.5
197.00941	1.9
201.00716	4.8
202.98608	2.5
203.03978	3.2
204.02821	4.5
205.00102	5.2
205.01938	4.0
205.03578	1.5
206.98033	1.7
207.01744	3.2
208.99545	1.3
211.01125	1.8
211.03529	2.5
211.05598	1.3
213.03326	9.4
214.98409	1.4
215.00343	19.4
215.02312	1.1
217.00174	2.9
219.01678	6.2
220.04083	7.6
220.06020	5.6
223.01167	4.3
229.03297	2.8
229.06522	3.4
229.11893	9.0
229.15422	100.0
230.98030	1.9
235.01161	2.2
237.02696	3.8
244.99628	1.6
245.05150	1.5
247.01007	2.6
247.04759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32229	0.4
55.01872	0.6
55.05492	0.9
57.03419	0.6
57.07067	0.7
61.47313	0.4
64.68682	0.4
65.03936	2.9
67.05499	50.0
68.05827	0.6
69.07037	0.6
70.04153	1.4
70.04566	1.7
70.06585	17.6
71.04970	0.8
72.08162	1.4
79.05489	0.6
84.08125	1.2
85.06547	1.0
86.09692	1.1
91.05480	2.2
93.07034	1.0
94.07366	0.7
95.04958	100.0
95.08565	1.1
96.04441	0.5
96.05308	0.5
96.08140	0.7
97.06536	1.7
100.11250	0.8
106.06515	0.7
108.08119	0.5
112.72392	0.5
113.05993	3.0
114.05537	1.5
116.07083	16.4
122.06826	1.0
124.07595	0.7
124.11980	0.5
129.10240	0.7
129.26506	0.4
134.10439	0.5
140.07014	1.1
149.05519	0.8
150.06349	1.2
152.07150	0.5
164.10725	3.3
167.07027	3.6
168.07373	1.6
178.05806	1.0
182.05228	1.2
182.08125	0.8
182.11740	2.1
195.06145	1.0
196.06877	1.4
200.09158	1.3
210.08476	3.5
210.11235	97.6
211.11623	0.9
228.08998	0.4
228.10069	0.8
228.12257	4.9
228.23177	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	227.1637
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03938	1.0
55.01870	2.3
55.05501	5.5
57.03424	3.5
57.07071	2.9
59.04992	1.6
65.03931	2.1
67.05490	11.4
69.03410	2.3
69.07056	6.0
70.06582	4.3
71.04974	13.2
73.02897	2.9
73.06547	1.9
75.04467	1.9
78.04702	1.0
79.05473	6.3
81.03420	1.2
81.07043	8.9
83.04961	3.2
83.08610	4.2
84.08122	0.9
85.02891	1.1
85.06534	8.2
86.09674	1.9
87.78558	0.5
89.03932	0.7
91.05469	6.8
93.03391	0.6
93.07024	11.9
95.04948	100.0
95.08581	7.9
96.05285	1.3
97.02844	0.5
97.06517	13.8
97.10132	2.7
99.04437	13.0
99.08070	12.9
100.11236	10.3
103.05435	3.4
105.07021	5.5
106.04132	1.5
107.04928	4.4
107.08572	10.9
109.06494	12.5
109.10126	5.8
111.04412	1.6
111.08047	3.6
113.06026	1.3
113.09583	0.7
113.96344	0.7
115.07525	2.9
116.07054	2.4
117.06982	0.6
119.04900	0.9
119.08548	5.6
121.06474	8.0
121.10116	12.0
123.04395	5.7
123.08047	1.5
123.11664	4.8
124.05190	1.5
125.05959	2.2
125.09606	7.2
127.07533	5.0
131.04883	2.5
131.08536	4.7
133.02818	0.8
133.10106	17.8
133.11099	0.9
134.03575	1.0
135.04369	0.9
135.07996	2.0
135.11676	3.6
137.05920	3.4
137.09624	1.3
139.03842	0.6
139.07515	1.3
139.11162	6.4
140.04652	4.5
143.08531	1.0
143.10632	4.7
145.02779	0.6
145.10129	2.6
147.04356	0.9
147.11662	4.2
148.05148	3.9
149.05956	8.1
149.09607	4.1
149.13228	4.2
151.03857	1.4
151.11118	3.1
153.05385	1.6
153.09073	27.2
153.12650	0.7
155.06984	6.8
159.04317	1.4
163.03812	1.0
163.07462	0.9
163.11104	2.1
163.14784	2.9
164.10648	0.6
165.12694	1.2
167.07008	42.7
167.10626	4.0
168.07288	1.8
171.06596	0.6
171.10135	11.8
173.09564	1.1
173.13235	7.8
174.12010	0.8
177.05441	12.9
178.05724	0.5
181.04942	8.1
181.08508	2.0
191.06963	1.2
191.10640	2.9
191.14276	7.2
194.05751	3.9
195.04880	0.5
195.06497	6.6
209.08092	18.4
209.11707	2.6
209.15262	16.5
210.08261	0.7
210.11224	17.3
227.06970	1.0
227.08900	5.8
227.12685	1.0
227.16304	36.3
228.12222	0.9
228.16739	1.1
228.23039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01857	1.7
55.05513	6.1
57.03420	2.7
57.07063	2.4
58.47036	1.0
59.05002	1.7
61.52346	1.1
62.88792	1.0
65.03944	2.0
67.05483	5.9
69.03413	4.7
69.07037	6.6
70.06567	3.0
70.15009	5.4
71.04986	9.2
73.02900	4.2
78.04692	2.6
79.05491	7.0
81.03401	2.4
81.07035	8.3
83.04971	3.6
83.08604	3.4
84.08133	1.1
84.27065	1.2
85.02907	2.1
85.06524	3.7
86.09695	6.0
87.11605	1.0
91.05480	8.1
91.33728	1.0
93.07025	12.8
95.04953	52.4
95.08595	8.0
96.08097	2.4
97.02825	1.2
97.06515	8.9
99.04451	6.4
99.08083	15.0
99.76411	1.1
100.11230	11.3
103.05470	4.8
105.03358	2.0
105.07015	5.3
106.04158	2.0
107.04957	4.8
107.08571	9.8
109.06503	8.9
109.10139	4.9
110.03618	1.3
111.04398	2.2
111.08051	3.7
113.09664	1.3
115.07535	4.5
117.07003	1.1
119.04954	2.0
119.08554	3.7
121.06485	15.0
121.10107	9.9
123.04403	12.7
123.08065	4.0
123.11696	3.6
124.05181	1.9
125.02299	1.8
125.06003	2.1
125.09595	4.2
127.07508	6.8
131.04935	5.7
131.08560	3.3
133.10100	17.6
133.11029	1.8
134.03629	2.6
135.04378	2.5
135.08055	2.5
135.11626	2.7
137.05966	8.0
137.09630	1.2
139.03883	2.1
139.11153	5.9
140.04648	6.6
143.10591	2.1
147.11673	2.7
148.05154	3.1
149.05963	17.0
149.09650	1.3
149.13188	5.5
151.11148	3.0
152.04665	1.5
153.09082	15.0
155.07021	9.5
159.04408	3.6
163.03920	1.9
163.07516	1.4
163.14825	3.8
167.07014	100.0
168.07388	3.8
171.06487	1.9
171.10110	5.8
173.13255	6.5
173.18301	1.2
177.05438	29.9
181.04916	6.8
181.08589	3.3
183.06544	1.7
191.06989	1.5
191.10629	1.9
191.14258	8.1
194.05708	2.2
195.06464	10.0
204.71616	1.3
209.06158	2.5
209.08058	25.0
209.15155	9.3
210.08556	1.5
222.64186	1.1
227.07109	1.1
227.09125	8.3
227.16252	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.56526	1.2
53.03926	3.1
55.01840	5.2
55.05500	8.7
57.03404	4.5
57.07043	3.1
59.04961	5.1
65.03899	3.8
67.05499	14.4
69.03386	4.0
69.07059	14.1
70.06554	4.9
71.04979	25.8
71.78210	1.6
71.78599	1.3
72.08103	1.2
73.02906	13.2
73.06503	2.0
78.04691	1.3
79.05480	10.5
81.07051	16.0
82.06538	1.8
83.04934	3.3
83.06876	1.7
83.08562	5.1
85.02863	2.4
85.06522	6.1
86.09688	5.8
91.05473	9.3
92.19463	1.2
93.07022	18.7
95.04952	100.0
95.08591	23.8
96.05275	1.8
97.06512	18.5
97.10098	2.6
98.97529	2.6
99.04440	17.0
99.07520	1.3
99.08078	18.7
100.11243	15.7
103.05417	3.7
105.03368	7.7
105.07012	10.5
107.04888	3.2
107.07898	1.9
107.08566	21.6
109.06505	12.1
109.10141	7.1
110.03629	1.1
111.04408	2.9
111.08056	2.9
113.05996	1.2
113.09583	3.6
115.05409	1.7
115.07546	12.2
116.07011	2.7
116.98578	1.5
119.08546	6.7
121.06488	9.7
121.09360	1.5
121.10121	17.8
123.04428	6.1
123.08050	7.5
123.11689	9.8
125.05919	2.8
125.09625	11.3
127.03878	1.3
127.07536	9.5
128.07014	3.9
128.19301	1.1
129.07323	4.6
131.04875	1.4
131.08542	6.8
133.10104	60.2
134.10320	1.4
135.07980	5.2
135.11603	4.9
137.05919	3.3
137.09566	2.2
139.11151	17.8
140.04646	20.7
143.08418	1.6
143.10588	3.4
145.10101	2.4
147.11671	5.4
148.05104	2.0
149.05959	6.2
149.09598	2.3
149.13208	8.3
151.11172	6.2
153.05342	2.8
153.09077	22.3
155.07002	29.4
163.03828	2.1
163.07504	1.3
163.11102	1.7
163.14795	8.1
165.05464	1.5
165.12683	1.4
167.07013	38.4
168.07233	1.5
171.06429	3.9
171.07808	1.2
171.10127	8.4
173.08026	1.9
173.13251	15.7
177.05452	11.9
181.04935	40.2
181.08549	2.7
182.05206	1.5
186.99094	1.4
191.10634	1.6
191.14285	17.9
194.05629	2.3
195.06487	5.7
207.05795	1.1
209.06195	1.8
209.08064	27.3
209.15265	26.9
210.11232	12.6
227.06982	1.7
227.08984	14.4
227.12601	1.6
227.16302	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	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03931	3.4
55.01844	1.8
55.05495	9.1
57.03413	8.0
57.07055	6.5
59.04980	7.6
67.05479	6.3
69.03408	5.2
69.07066	16.6
70.17710	4.0
70.18110	4.4
71.04981	19.8
73.02895	3.2
73.06503	2.9
75.04434	2.0
77.95436	1.9
79.05457	6.6
81.07045	13.7
83.04961	9.8
83.08615	13.0
85.06535	9.0
86.09675	5.3
91.05445	8.5
93.03371	2.6
93.07039	27.4
95.04960	100.0
95.08595	17.6
97.06514	22.2
97.10128	4.7
99.04438	12.6
99.08089	36.6
100.11211	7.5
105.03391	13.6
105.06998	10.6
107.08588	25.5
109.06502	17.5
109.10162	13.1
109.80717	1.9
111.08050	7.8
113.09626	3.5
115.07552	7.7
119.08543	9.4
121.06484	2.3
121.10130	28.7
123.08033	4.7
123.11706	13.9
125.05907	2.0
125.09618	8.8
127.07532	21.3
131.08534	7.4
133.10120	34.9
135.08003	7.3
135.11696	5.6
137.09532	5.2
139.07524	2.2
139.11159	15.0
140.04651	4.7
143.10641	3.0
145.10045	3.8
147.11658	8.9
149.05911	3.3
149.08435	1.8
149.09590	6.3
149.13243	19.4
151.11148	6.9
153.05479	3.5
153.09093	38.7
155.07007	6.9
163.14819	9.3
165.12654	3.0
167.07021	16.4
167.10660	7.3
167.14241	2.8
168.07373	2.4
171.10162	12.7
173.13239	20.8
177.05501	2.4
181.04935	10.8
181.08473	2.6
186.99028	2.5
191.14285	17.5
209.08125	10.2
209.15302	25.5
213.67990	1.7
227.09126	5.7
227.16385	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.2
55.01845	2.8
55.05498	4.4
57.03416	2.6
57.07048	2.3
59.04974	2.3
65.03906	1.1
67.05492	4.1
69.03388	2.5
69.07054	8.4
69.96436	6.0
70.06572	4.0
71.04980	8.3
72.93748	1.4
73.02907	5.6
73.06506	1.1
75.04453	1.1
78.04684	2.8
79.05487	6.0
81.03409	2.1
81.07050	8.6
83.04955	2.4
83.08617	4.6
83.08998	0.8
84.08100	2.4
85.02907	1.2
85.06534	6.5
86.09698	7.6
89.03878	1.3
91.05473	12.9
93.06502	1.2
93.07034	16.8
95.04954	61.7
95.08571	8.1
96.08079	1.3
96.08764	0.8
97.02875	0.9
97.06514	11.3
97.10149	2.8
98.97531	0.9
99.04437	7.7
99.08082	9.8
100.11221	2.5
103.05444	8.2
105.03357	1.2
105.06975	3.2
106.04159	2.0
107.04928	11.2
107.08579	10.3
109.06499	11.0
109.10117	5.8
111.05529	1.4
111.08047	3.3
113.09621	1.0
113.96364	1.7
115.07533	2.5
117.03327	1.1
119.04910	1.8
119.08563	3.0
121.06495	13.1
121.10119	9.1
123.04412	7.4
123.08047	2.1
123.11662	3.5
124.05151	1.2
125.02374	1.0
125.05958	2.5
125.09558	4.7
127.07516	3.9
129.10205	0.8
131.04959	5.7
131.08498	3.1
131.97383	1.3
133.09171	1.2
133.10104	15.9
134.03557	2.6
135.04355	1.9
135.08026	2.4
135.11664	1.3
137.05948	10.7
139.07405	2.1
139.11160	5.2
140.04648	7.7
140.07013	1.7
143.10637	3.3
144.85251	0.8
145.02777	1.2
145.10040	1.4
147.11670	4.4
148.05148	2.7
149.05966	13.6
149.09573	1.5
149.13231	3.4
151.03879	2.2
151.11150	2.4
152.04688	2.3
153.05496	1.4
153.07971	1.4
153.09084	15.1
153.27213	0.9
155.07047	8.4
159.04353	4.1
163.03789	1.2
163.07529	1.2
163.11084	1.3
163.14780	2.3
165.05444	2.3
166.06142	0.9
167.07014	100.0
168.07343	3.9
171.06465	1.0
171.10136	11.3
173.08035	1.3
173.13246	5.1
176.04613	1.4
177.05440	28.4
178.05968	1.3
181.04947	13.3
181.08551	2.5
191.06978	2.2
191.14275	5.6
194.05676	2.4
195.06439	3.9
209.08052	16.0
209.13170	1.6
209.15283	12.1
217.97264	0.8
227.07025	1.8
227.09067	6.2
227.14301	1.3
227.16367	36.7
228.08472	2.5
228.23174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.03143	1.2
53.03910	1.4
55.01846	1.4
55.05499	8.6
57.03403	5.6
57.07051	2.5
59.05000	7.0
65.03901	1.3
67.05493	6.8
69.03393	4.5
69.07061	11.6
71.04983	19.7
71.80065	1.8
79.05493	7.8
81.03432	1.4
81.07048	13.9
83.04942	6.1
83.08590	5.4
85.06538	7.3
86.09695	18.3
87.04435	1.8
91.05457	6.9
93.07034	25.5
95.04959	100.0
95.08598	12.9
97.06522	16.4
97.10134	3.2
97.26873	1.3
99.04435	17.0
99.08081	12.5
100.11245	10.0
101.05987	1.4
103.05434	1.6
105.07018	8.0
107.08582	21.5
109.06505	16.2
109.10157	11.1
111.08086	7.2
113.05891	1.7
113.09626	1.7
115.07505	3.3
119.08537	6.0
121.06448	4.2
121.10137	18.3
123.04400	3.7
123.07999	4.0
123.11690	9.9
125.05973	1.5
125.09602	6.2
127.07555	8.0
127.08345	1.5
127.08772	1.1
129.06940	1.6
130.06473	1.2
131.08528	5.5
131.10870	1.2
133.09171	2.3
133.10109	31.5
135.07965	5.7
135.11624	4.7
137.05928	2.4
137.09563	3.1
139.11169	10.4
145.10059	3.5
147.11690	7.1
149.05916	3.2
149.09618	3.0
149.13235	8.7
151.11098	5.9
151.83141	1.4
153.09099	31.2
163.14734	5.1
165.12729	2.2
167.05733	1.7
167.07047	21.0
167.14281	2.4
169.12273	1.4
171.10193	11.1
171.27744	1.3
173.13245	12.3
177.05397	5.1
181.04944	1.6
183.13710	2.1
186.05551	1.7
191.14311	13.6
200.06892	1.4
209.07957	4.6
209.15302	24.8
209.18391	1.5
227.08885	1.9
227.16325	56.9
228.16534	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03925	2.0
55.01862	4.9
55.05270	1.2
55.05505	12.7
57.03415	3.3
57.07062	1.9
67.05489	14.7
69.03395	1.7
69.07050	9.3
69.97177	4.4
69.97587	1.9
71.04975	4.0
73.02882	2.6
79.05481	26.7
81.03389	3.5
81.06600	1.4
81.07047	21.5
81.07526	1.3
83.04971	5.2
83.08609	11.9
85.02870	1.0
85.06526	1.7
91.05452	8.0
93.07032	33.3
95.04959	7.7
95.05972	0.8
95.08594	41.6
95.97711	0.9
97.02874	2.6
97.06503	6.2
97.10153	2.0
99.04429	5.6
99.08075	1.1
100.11255	7.8
103.05437	2.2
105.07013	6.9
107.04932	8.9
107.08578	24.4
109.06487	3.0
109.10125	4.2
111.04412	2.2
111.08073	1.9
113.05970	1.4
117.07006	8.8
119.08579	8.7
121.06496	9.1
121.10129	13.2
123.04411	2.0
123.08038	1.6
123.11685	1.0
124.05167	1.0
125.05931	3.2
125.09565	1.4
129.06982	0.9
130.07724	1.4
131.04886	1.6
131.08511	1.0
133.10104	2.3
135.08005	1.5
135.11676	48.3
137.05907	1.6
139.07491	1.9
139.11038	1.0
143.08530	2.5
145.10114	26.1
149.05939	3.4
153.12714	1.0
155.06990	2.1
157.10074	1.4
159.04335	1.3
163.11162	65.4
164.11494	0.9
167.07022	26.4
171.11620	1.3
173.09613	0.9
177.05473	8.3
181.04927	1.0
181.12198	15.2
185.13245	1.4
191.10565	1.1
191.14305	0.8
198.09079	0.9
207.09598	1.1
209.08075	4.0
209.11740	2.5
209.15143	1.1
212.14330	2.4
227.12720	100.0
227.17615	7.2
228.17378	10.2
243.11487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0909
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.73282	1.1
53.03938	2.4
55.01858	3.1
55.05497	4.5
57.03421	1.8
57.07058	4.4
57.39778	1.0
59.04975	1.2
59.97018	1.0
61.02926	1.4
65.03923	3.1
67.05495	7.4
68.99786	1.3
69.03412	2.0
69.07058	8.8
70.06571	3.1
71.04978	4.4
71.08617	0.9
71.79125	1.2
73.02894	2.8
78.04693	2.5
79.05483	12.5
81.03387	1.5
81.07043	14.3
83.04961	2.5
83.08602	1.5
84.08136	1.5
85.02888	2.2
85.06525	12.3
86.09685	3.6
87.04458	4.0
89.03900	2.3
91.05462	15.8
93.03410	1.7
93.07028	23.0
93.96416	1.0
95.04951	25.7
95.08581	6.5
97.02893	1.0
97.06515	4.2
98.97585	1.1
99.04433	5.2
99.08069	4.0
100.11236	10.7
103.05436	9.9
105.07016	8.2
106.04186	2.9
106.70827	1.0
107.04951	8.3
107.08578	8.4
109.02847	1.7
109.06500	23.0
109.10128	3.9
111.04428	3.7
111.08073	2.7
111.11730	1.1
113.96280	1.2
113.98496	1.1
115.07533	1.1
116.07047	1.6
117.03400	1.1
119.04948	2.7
119.08550	4.4
120.05654	1.7
121.05681	0.9
121.06477	24.5
121.10118	24.5
123.04407	11.0
123.08044	4.8
123.10829	0.9
123.11677	19.1
124.05220	1.6
125.05989	3.5
125.09586	2.5
129.06985	1.2
131.04947	4.9
131.08525	7.9
133.02849	1.5
133.10103	7.6
134.03629	2.4
135.04388	3.9
135.07997	5.6
135.11650	1.1
137.05946	6.8
137.09578	1.7
139.03859	1.7
139.07549	1.5
139.11179	2.4
140.04665	5.6
141.09087	1.4
145.02798	1.5
145.10101	4.3
147.04379	2.0
147.11691	5.4
148.05168	14.5
149.05959	24.5
149.09579	16.9
149.13237	1.3
151.03859	3.8
151.11128	8.2
152.04593	2.0
153.05443	4.2
153.09055	9.9
155.07030	5.7
159.04396	4.1
163.03853	2.1
163.07452	1.2
163.11215	3.6
163.14803	1.1
165.05402	2.1
165.09084	1.7
165.12724	1.7
166.06241	1.7
167.07011	100.0
167.10640	32.9
168.07330	1.5
173.09618	1.1
173.13258	3.7
176.04694	2.5
177.03949	1.8
177.05463	34.1
179.03308	1.2
181.04959	4.2
181.08600	3.5
191.07007	1.3
191.10652	7.1
191.14233	5.9
193.04869	1.0
194.05742	12.9
195.06479	20.7
195.08104	1.7
209.08067	61.2
209.11453	10.0
209.15218	16.7
210.11189	5.7
227.06943	2.7
227.09019	13.2
227.12711	3.0
227.16385	4.9
227.17993	1.8
236.68344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02372	0.4
53.03928	0.8
54.94402	0.3
55.01858	1.0
55.05499	1.8
57.03405	0.6
57.07052	0.5
65.37392	0.3
66.94526	0.4
67.05494	1.0
69.07058	3.3
71.04972	1.2
73.02907	0.6
78.04709	2.3
79.05482	1.9
81.03386	0.4
81.07047	2.2
83.04969	0.3
83.08595	1.4
85.02866	0.4
85.06501	0.6
89.03891	1.1
90.21793	0.4
91.05456	6.4
93.07025	4.9
95.04941	3.7
95.08591	1.1
96.05698	0.4
97.06491	0.6
97.10141	0.4
98.97574	0.8
99.04444	1.7
100.11237	2.2
103.05460	6.0
105.03348	0.6
105.06997	0.6
106.04153	1.5
107.04929	3.2
107.08579	2.4
109.02844	0.5
109.06483	1.5
109.10141	1.3
111.08111	1.7
111.11691	1.1
116.98620	0.4
117.03355	1.2
119.04897	1.4
119.08578	0.4
120.05663	0.5
121.06497	12.4
121.10123	1.3
122.03603	0.6
123.04420	7.9
123.08033	0.6
123.11708	0.5
124.05231	2.4
124.88679	0.4
125.06003	0.4
125.09656	0.6
131.04907	6.3
133.02838	1.2
133.10098	0.8
134.03610	1.5
135.04388	1.2
135.08086	0.4
135.11624	0.5
137.05957	8.1
139.07578	0.4
140.04645	2.8
143.08530	0.5
145.02771	0.7
145.10107	0.4
147.04350	1.4
148.05212	2.0
149.05965	16.3
149.13242	0.6
150.06311	0.4
151.03894	1.3
152.04675	1.8
153.09065	1.3
155.07002	2.4
157.10107	0.6
159.04402	4.3
162.03110	0.5
163.03954	0.8
163.07487	0.6
165.05492	1.1
166.06213	0.6
167.07018	100.0
168.07414	2.2
169.08553	0.8
171.11679	0.7
176.04686	0.9
177.05453	30.6
178.05852	0.8
181.04988	0.7
181.08557	1.2
191.07013	1.3
191.10733	0.4
191.14323	0.7
194.05786	1.0
195.06479	0.7
195.10161	0.8
209.08089	9.0
209.11710	0.6
209.15338	1.6
227.07013	0.7
227.08937	3.2
227.14307	0.7
227.17751	1.2
229.63605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03933	2.3
54.19281	0.7
54.32816	0.7
55.01863	3.9
55.05496	3.6
57.03424	1.9
57.07053	1.0
58.25620	0.9
59.86292	0.8
65.03933	4.3
67.05494	4.2
69.03426	2.0
69.07059	4.6
69.51836	7.0
70.06570	2.1
71.04975	1.1
72.93766	0.9
73.02908	22.9
75.35381	0.8
78.04704	2.8
79.05468	5.1
81.03383	1.0
81.07044	4.7
82.04163	1.4
83.04981	1.5
83.08598	2.1
84.04494	1.6
84.08106	1.1
85.02882	3.1
85.06544	2.1
86.09698	5.7
89.03874	1.2
91.05478	8.6
93.03386	1.1
93.07030	7.5
95.04959	11.4
95.08587	2.8
97.02858	1.9
97.06531	4.8
97.10165	1.2
99.08077	1.4
100.11246	2.4
103.05456	7.7
105.03364	0.8
105.07006	2.0
106.04156	1.4
107.04945	46.6
107.08557	3.5
109.02782	0.9
109.06518	4.0
109.10159	1.3
110.03649	2.6
110.07159	1.2
111.04425	2.2
111.08031	1.0
113.05952	0.9
113.15157	0.9
113.96433	1.0
117.07046	0.8
119.04922	2.4
119.08607	1.6
121.06497	15.5
121.10101	2.2
123.04420	10.3
123.08038	1.6
124.05197	2.1
125.05988	3.2
131.04909	5.0
131.08566	1.4
133.02841	0.8
133.10117	2.8
134.03610	1.9
134.13347	0.9
135.04402	2.1
135.08046	1.2
135.11685	1.7
137.05946	9.6
138.03114	1.1
138.61555	0.8
139.07501	1.6
140.04669	29.0
142.02591	1.9
145.02863	1.3
145.10089	0.9
147.04404	1.4
147.11655	1.1
148.05157	3.2
149.05972	13.9
149.07121	0.7
149.09627	1.6
150.72955	0.9
151.03908	2.7
151.11159	1.1
152.04729	1.4
153.05449	3.1
153.09084	1.8
155.07014	40.9
159.04390	3.6
163.03856	1.1
163.07562	1.6
163.11247	1.2
165.05476	1.1
167.07022	100.0
168.07469	1.8
171.06509	3.6
173.08102	2.5
173.13219	1.7
177.05443	26.7
179.07022	2.3
181.04941	58.8
182.05302	1.5
191.06982	2.0
191.10667	1.9
194.05669	2.3
195.06494	7.9
209.08069	31.6
209.11493	1.5
209.15256	0.8
227.07068	1.3
227.09088	21.8
227.13983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03929	4.0
55.01848	5.2
55.05498	6.9
57.03419	5.0
57.07059	2.1
59.04987	1.7
65.03929	2.9
67.05493	7.7
69.03408	4.8
69.07053	8.7
70.06564	2.5
70.97255	3.5
71.04992	10.5
73.02915	6.1
75.04459	1.4
79.05470	7.4
81.03393	2.0
81.07048	11.3
83.01335	1.4
83.04958	4.0
83.08593	5.0
85.02885	4.5
85.06522	3.5
86.09686	5.6
89.03886	1.3
91.05468	10.5
93.07035	16.3
95.01307	1.4
95.04959	50.8
95.05578	2.7
95.08617	7.8
97.06518	12.5
98.67238	1.2
99.04434	8.4
99.08078	12.2
100.11239	12.7
103.05467	7.4
105.03386	2.2
105.07012	6.0
106.04144	2.5
107.04922	6.5
107.08581	12.5
109.02864	1.3
109.06517	10.1
109.10110	4.0
110.03619	1.3
111.04410	4.5
111.08057	4.0
113.02346	2.6
115.05441	1.4
115.07542	3.4
116.98560	1.4
117.06990	1.2
119.04942	1.4
119.08567	4.5
121.06491	15.1
121.10101	10.1
122.03645	1.4
123.04419	13.9
123.08048	6.3
123.11700	2.8
124.05173	2.6
125.02345	3.8
125.05935	4.0
125.09600	5.0
127.03914	1.3
127.07565	6.7
131.04915	6.3
131.08597	3.2
133.02887	1.2
133.10123	15.3
134.03627	2.1
135.08017	4.5
135.11655	4.0
137.05949	8.9
137.09573	1.7
139.03911	3.3
139.07446	1.5
139.11151	5.5
140.04660	8.7
141.01672	1.4
143.03387	1.4
143.10667	1.3
145.02850	1.3
145.10107	1.7
147.04343	1.9
147.11629	3.1
148.05106	3.1
149.05952	18.9
149.09619	1.7
149.13240	7.4
151.03928	2.3
151.07518	1.8
151.11110	2.9
152.04678	2.5
153.05492	2.9
153.09079	12.8
155.07013	11.9
158.99606	1.2
159.04381	3.2
163.03827	1.5
163.07552	2.6
163.14763	3.0
163.23131	1.2
167.07021	100.0
167.14345	1.3
171.10133	5.0
173.09656	1.4
173.13287	6.8
176.04544	1.4
177.05447	29.7
179.06923	1.9
181.04971	10.1
181.08551	3.9
191.07030	4.4
191.14296	5.6
194.05775	2.0
195.06546	8.9
209.08043	26.1
209.15157	9.9
210.11259	2.3
227.07074	2.8
227.09016	11.0
227.16174	22.2
240.31149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03335	1.3
55.05494	3.0
57.07055	3.0
65.03934	2.7
67.05479	4.1
69.03429	2.2
69.07043	3.1
70.06452	9.3
71.04976	5.4
77.03914	1.9
79.05479	4.9
81.07047	17.7
83.04992	2.5
83.08581	2.0
85.02895	70.8
91.05466	46.5
93.07021	5.5
95.04942	5.7
95.08590	9.0
99.04441	10.0
103.05431	3.5
105.03361	3.3
105.07011	6.5
107.04942	4.2
107.08579	11.8
109.06484	4.4
109.10156	11.7
111.08077	2.4
118.04150	5.2
119.04926	49.7
119.08589	8.0
120.41867	1.5
121.06531	2.1
121.10130	11.0
123.04375	1.7
123.08065	5.4
123.11697	49.6
125.05973	6.7
125.09645	1.8
131.08549	2.8
132.02000	3.0
133.02829	1.9
133.10065	2.6
135.04327	2.3
136.05116	1.8
137.05972	1.9
137.09558	3.3
139.11133	1.7
141.09056	1.5
147.04390	41.1
147.08015	3.1
147.11670	4.3
149.02330	6.2
149.09593	9.6
149.13229	1.8
151.03870	2.4
151.07544	3.4
157.03990	1.6
161.13246	4.7
163.03905	3.7
163.11142	4.9
164.04657	5.5
165.05415	1.7
165.12682	2.9
167.06996	2.4
167.10646	2.9
171.11707	2.8
175.03894	68.8
176.04288	2.5
177.01808	1.8
177.12804	1.8
179.07007	5.6
179.14359	2.1
180.04155	2.7
183.06491	3.0
189.12709	5.4
192.04140	21.4
193.04886	5.4
195.13776	2.1
207.06497	100.0
207.13770	20.2
208.06842	2.9
225.07466	4.8
225.12843	2.6
225.14780	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03916	1.4
55.01841	2.3
55.05497	8.2
57.03413	3.2
57.07066	9.3
59.04978	2.8
65.03924	4.1
67.05479	7.5
67.85162	1.3
69.03405	4.2
69.07056	6.7
70.01902	1.2
70.06570	2.2
71.04978	31.5
71.08643	1.4
79.05484	10.5
81.03413	3.1
81.07041	27.7
83.04967	13.1
83.08598	6.8
84.08099	1.9
85.02902	7.9
85.06530	5.6
87.04458	1.7
89.85594	1.5
89.93893	1.3
91.05466	44.0
92.08219	1.3
93.07035	15.2
95.04937	13.1
95.08595	20.2
97.06520	10.0
97.10207	1.4
98.21461	2.7
99.04440	100.0
99.08064	5.8
103.05459	2.1
105.03374	6.7
105.07018	17.3
107.04934	8.5
107.08579	37.9
109.06503	26.0
109.10153	7.2
111.08034	4.3
113.06010	2.6
113.09659	2.4
115.03992	1.3
117.07001	2.6
118.04128	5.2
119.04923	37.8
119.08563	18.9
121.02874	1.9
121.06485	3.9
121.10127	55.0
123.04415	6.1
123.08047	33.0
123.11691	14.0
125.05970	16.5
125.09585	8.2
127.07524	3.8
128.84496	1.4
131.04990	1.7
131.08548	4.0
132.02026	2.5
133.02832	3.2
133.10112	5.8
135.04387	4.4
135.08043	4.9
135.11697	4.1
136.05136	2.5
136.07559	1.8
137.05983	8.3
137.09592	6.1
137.13257	7.1
139.11140	2.9
141.09099	2.0
141.12762	2.1
145.02802	1.4
145.03888	1.7
145.10100	5.1
146.03644	1.5
147.04399	33.2
147.08020	3.9
147.11647	10.8
149.02376	3.3
149.09596	18.5
151.03860	1.9
151.07510	11.2
151.11182	4.8
153.05421	3.1
155.06992	2.6
156.09338	2.4
161.13249	14.5
163.03880	7.7
163.11156	32.4
164.04634	3.4
165.01869	1.9
165.05450	6.4
165.09064	4.0
165.12720	13.2
167.06998	3.1
167.10649	24.9
171.11635	4.6
175.03880	46.9
179.06976	7.1
179.14288	20.5
180.04167	15.9
181.12209	6.5
183.06519	5.4
183.13782	22.6
189.12744	12.9
192.04184	16.2
193.04968	9.3
195.06450	4.4
207.06500	75.3
207.13768	32.5
207.15630	2.7
208.06706	2.5
208.09700	2.1
225.07370	10.7
225.09206	4.3
225.11127	2.2
225.14815	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03936	0.8
55.05491	2.7
57.03431	1.2
57.07052	1.0
66.68964	0.7
67.05481	2.7
69.03427	1.1
69.07043	1.8
70.16605	1.5
70.17025	3.2
71.04984	33.4
79.05476	2.8
81.03402	2.4
81.07038	5.9
83.04963	3.3
83.08612	6.2
85.02879	2.0
91.05463	7.2
93.07026	2.8
95.04945	1.7
95.08611	5.3
97.06527	2.0
99.04442	100.0
105.03333	1.3
105.07040	3.5
107.08582	29.3
109.06501	23.1
109.10127	2.4
110.36343	0.6
111.04423	0.9
113.09662	4.9
118.04157	0.9
119.04932	8.7
119.08569	3.4
121.10118	11.0
123.08054	17.1
123.11695	11.2
125.05973	2.2
125.09618	7.6
131.08568	2.0
133.10065	0.9
135.04352	1.1
137.06023	1.1
137.09622	1.8
137.13271	1.1
139.11162	2.1
141.12756	1.8
147.04399	6.6
147.11662	6.1
149.02338	0.9
149.09599	11.3
151.03880	7.4
151.07507	1.2
161.13292	1.4
164.04637	0.9
164.32875	0.7
165.12726	10.9
167.07092	1.1
167.10660	33.0
171.11673	1.2
175.03882	10.1
183.13780	30.4
189.12775	3.8
192.04190	3.1
207.06480	14.6
207.13805	5.2
225.09085	1.5
225.14799	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	225.1482
Annotation	MKN-003A
Peak:m/z	Relative Intensity
54.48480	0.8
55.05500	4.9
55.73569	0.8
57.03435	2.0
57.07065	2.6
59.04985	1.1
65.03919	1.2
67.05503	4.5
69.03426	2.5
69.07058	3.2
71.04983	37.5
71.08638	1.0
71.79895	1.4
74.17393	0.8
78.61336	0.8
79.05484	6.4
81.03399	2.6
81.07043	10.3
83.04967	6.1
83.08609	6.9
85.02893	18.2
85.06538	1.7
87.04460	2.0
88.74796	0.8
91.05469	12.4
93.07025	6.1
95.04957	3.2
95.08591	10.0
97.06514	3.3
97.10158	1.8
99.04442	100.0
99.08064	1.0
105.03394	2.4
105.07009	6.1
107.04961	3.1
107.08581	45.3
109.06499	22.3
109.10149	3.2
111.04443	1.8
111.08051	0.8
113.06039	1.0
113.09644	4.0
117.78291	0.9
119.04923	8.4
119.08568	5.7
121.06548	0.8
121.10130	20.1
122.06831	0.8
123.08051	40.5
123.11684	18.4
125.05991	3.2
125.09619	15.5
131.08548	4.0
133.10112	2.4
135.04424	1.4
135.11613	0.9
137.09602	3.5
137.13226	1.2
139.11166	9.6
141.12724	2.0
143.08626	1.1
145.42673	1.0
147.04395	6.6
147.11684	8.3
149.02356	1.9
149.09598	22.3
151.07541	1.8
161.13261	2.3
163.11203	3.4
164.04593	1.2
165.05559	1.3
165.12726	13.7
167.07016	2.4
167.10655	34.9
168.10887	0.9
169.10043	2.1
175.03867	12.8
179.07048	1.8
180.04167	3.1
183.06599	1.1
183.13779	31.7
189.12761	3.5
192.04172	3.0
193.05002	1.0
207.06508	21.0
207.13779	4.5
207.17410	1.4
225.14743	22.5
226.18002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03946	0.7
55.05502	1.5
59.04988	0.7
67.05497	5.7
69.03423	2.3
69.07078	3.5
70.03907	1.2
70.04321	3.3
70.21384	0.7
71.04985	14.0
79.05487	6.2
81.07047	5.7
83.04964	1.5
83.08626	0.8
85.02901	1.6
85.06516	0.9
91.05462	9.1
93.07025	15.3
95.04945	2.1
95.08585	3.5
97.06503	3.2
98.21374	0.7
99.04427	3.8
103.05460	1.3
105.03395	1.2
105.07014	16.0
105.08125	0.7
107.04970	0.7
107.08578	8.3
109.06508	4.3
109.10139	13.9
109.86469	0.7
111.08058	2.4
113.09613	0.8
119.04921	7.4
119.08573	13.1
121.06491	2.1
121.10128	35.9
122.10462	0.8
123.08044	4.9
123.11682	2.0
125.05948	1.1
128.90054	0.6
129.06979	0.8
131.08549	3.1
133.06432	1.0
133.10123	4.5
135.08060	1.7
135.11717	2.6
137.05974	1.7
137.07910	1.4
137.09601	27.1
137.13223	1.1
139.09410	0.9
143.08560	1.1
145.10112	2.4
147.04407	5.1
147.08025	3.6
147.11668	10.8
149.02377	0.7
149.09598	100.0
150.09979	1.1
151.07524	1.9
151.11157	1.4
156.09320	2.7
157.03920	0.8
159.08047	1.6
160.08789	1.0
161.09612	2.7
161.13235	8.1
163.11160	1.8
164.04663	1.0
165.05399	1.0
165.07416	1.3
165.12708	5.2
167.10686	2.3
171.11644	5.7
174.10358	3.2
175.03880	9.6
179.06963	1.1
179.14311	1.1
189.12717	23.9
192.04202	3.2
207.06531	14.9
207.08385	1.3
207.13780	11.3
225.07416	0.9
225.09322	1.2
225.14772	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.66293	0.7
53.03913	0.7
55.05496	4.0
55.64997	0.7
57.03414	0.8
63.58482	0.7
67.05478	1.1
69.03406	0.9
71.04980	37.9
76.79874	0.8
79.05472	1.5
81.03400	2.5
81.07065	4.9
81.07454	0.8
83.04980	2.5
83.08609	6.0
85.02885	1.3
91.05454	2.9
92.51291	0.8
93.07013	1.8
95.04950	2.0
95.08602	5.7
97.06513	1.1
98.21390	1.3
99.04436	100.0
100.04766	0.9
105.07020	3.4
105.72340	0.8
107.08569	31.1
109.06499	21.6
109.10126	1.2
113.09601	4.4
119.04925	1.3
119.08533	1.2
121.10138	9.0
123.08050	15.3
123.11681	13.1
125.05991	1.8
125.09608	8.2
131.08568	2.2
135.86172	0.8
137.09602	2.0
139.11162	2.0
139.14000	0.7
141.12706	1.5
147.04375	1.0
147.11703	5.5
149.09607	8.5
165.12726	11.4
167.10654	34.0
175.03951	2.1
179.85350	0.7
183.13776	35.0
189.12781	2.7
202.94362	0.8
207.06541	3.3
207.13899	2.5
210.95238	0.8
219.48988	0.9
225.14815	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.61257	0.4
55.05511	1.3
57.07065	1.8
67.05502	3.4
69.03413	1.3
69.07053	0.9
69.63622	0.9
69.64027	3.4
71.04977	0.8
79.05471	1.8
81.07045	18.5
83.04996	0.8
83.08669	0.5
85.02892	100.0
89.03886	0.4
91.05460	5.1
93.07030	1.8
95.04961	0.8
95.08595	4.8
97.06532	0.5
105.07023	3.3
107.04923	0.5
107.08582	4.0
109.06491	1.2
109.10145	8.9
119.04913	3.8
119.08566	3.3
121.06487	0.8
121.09338	0.8
121.10130	8.1
123.08067	1.3
123.11687	83.9
124.12013	1.4
125.05969	6.0
125.09592	0.8
131.08525	1.1
135.04407	0.8
135.08078	0.5
137.05879	0.7
139.07521	0.6
139.11162	1.0
141.05489	0.6
141.39584	0.5
145.02789	0.7
145.10062	0.9
146.10843	0.5
147.04395	3.1
147.07994	2.3
147.11681	3.5
149.09595	8.2
151.07523	2.5
156.09349	0.7
161.02931	0.6
161.13210	1.1
163.03859	3.4
165.12700	1.4
167.10664	1.0
169.08607	0.9
171.11647	0.8
174.10327	0.5
175.03894	6.6
189.12732	5.0
192.04095	2.1
205.08948	0.5
207.04675	1.0
207.06491	9.9
207.13777	23.2
209.46379	0.6
221.69064	0.6
225.14841	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	225.1482
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.01854	0.8
55.05490	4.8
57.03430	1.2
57.07088	1.1
59.05002	0.8
62.07455	0.7
65.03941	0.9
67.05488	3.0
69.03416	1.0
69.07033	1.0
71.04980	35.0
71.79267	1.3
79.05478	3.4
81.03405	1.9
81.07055	5.2
83.04973	3.4
83.08597	6.9
85.02901	2.0
85.06546	1.3
91.05463	10.0
93.07034	3.1
95.04961	2.5
95.08590	7.5
97.06518	1.8
99.04436	100.0
105.03346	1.7
105.06998	5.0
107.04939	1.2
107.08572	33.4
109.06497	22.4
109.10126	3.3
113.09585	4.4
119.04919	7.2
119.08566	3.7
121.06528	0.7
121.10107	11.2
123.08046	18.4
123.11682	11.6
125.05966	2.9
125.09612	7.0
130.84995	0.7
131.08560	1.5
133.10043	0.9
136.03482	0.7
137.05905	1.0
137.09555	1.9
139.07610	0.8
139.11130	2.1
141.12688	2.3
147.04379	7.6
147.11664	7.0
149.02371	0.8
149.09590	10.6
151.03876	9.0
151.07515	1.9
163.11089	1.6
164.04674	1.3
165.05530	1.0
165.12732	14.9
167.07007	2.2
167.10649	28.9
171.11656	1.4
175.03885	13.5
179.07043	1.0
180.04243	1.0
183.13768	33.1
189.12679	3.1
192.04225	3.7
193.04884	0.8
207.04698	1.4
207.06499	19.1
207.13763	6.7
225.09035	2.7
225.12869	1.1
225.14780	24.4
226.09711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.43719	3.4
53.03926	8.3
53.53823	2.8
55.01848	4.8
55.05500	29.8
57.03420	5.1
57.07054	13.9
57.97878	3.4
59.04999	3.9
65.03922	4.2
67.05502	50.6
69.03426	27.9
69.07060	19.1
69.07367	3.4
69.34126	3.0
69.44543	31.1
69.44963	8.1
70.06566	5.1
71.04979	13.3
71.08604	3.8
73.32453	3.4
73.64450	3.1
77.03902	4.2
77.18484	2.8
79.05482	72.1
81.03394	10.5
81.07050	40.9
83.04972	53.7
83.08596	9.3
85.02897	17.4
85.06539	9.2
86.09691	4.1
87.03616	3.3
88.38119	3.4
88.58740	3.0
91.04994	4.5
91.05479	55.3
93.07032	88.9
95.01315	3.3
95.04953	30.3
95.08597	30.0
97.02872	13.4
97.06475	8.6
97.10152	4.9
98.21512	5.9
99.04454	16.2
100.11221	3.8
105.03366	12.8
105.07016	38.9
107.04938	5.0
107.08582	30.8
109.06489	19.5
109.10132	8.3
111.04433	9.6
111.08048	5.7
113.02343	10.3
113.06002	6.4
114.13306	3.4
117.06992	7.3
119.04920	12.7
119.08572	28.8
121.06509	4.7
121.10133	15.6
123.08027	20.5
123.11708	7.0
125.05960	4.9
125.09592	3.8
126.41128	3.6
127.07539	5.6
129.06990	12.1
131.08530	5.4
133.10114	10.4
137.09563	6.0
137.13219	13.4
141.05548	3.7
143.08575	5.4
145.10110	7.1
147.04372	12.7
147.08015	3.6
147.11670	40.3
149.09610	7.5
151.07460	6.3
151.11064	4.1
157.04886	3.4
161.09575	7.3
161.13228	16.6
163.11229	4.6
165.01860	3.6
165.09138	5.0
165.12747	8.2
167.10651	10.0
169.10098	6.7
171.11650	28.1
175.03839	17.2
177.01712	4.1
183.11664	4.0
189.12709	14.6
192.04152	9.5
197.13297	4.0
202.27220	4.4
207.06531	28.5
207.10069	3.7
207.13759	28.1
210.36879	3.5
225.07465	10.5
225.12772	6.5
225.14723	100.0
225.19604	9.3
225.22037	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	225.0753
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02375	0.6
53.03934	0.9
55.01854	0.7
55.05499	1.3
55.24522	0.6
56.78420	0.5
57.03413	1.0
57.07063	0.9
65.03922	2.8
67.05475	2.1
69.03413	1.2
69.07030	0.6
71.04969	2.2
77.03918	1.4
79.05483	1.6
79.16148	0.5
80.06246	0.6
81.07053	2.6
83.04969	1.3
83.08570	0.7
83.50322	0.5
85.02917	1.0
85.06533	0.9
89.03872	1.0
89.11706	0.6
91.05468	38.2
93.02646	0.5
93.03378	0.7
93.07030	2.1
95.04933	1.7
95.08587	2.3
97.06524	1.0
98.21438	1.3
99.04421	3.4
100.11202	0.6
103.05450	1.6
105.03368	2.5
105.07040	1.3
107.04944	1.8
107.08571	2.9
108.05752	0.6
109.06516	1.7
109.10125	1.8
111.04387	0.6
113.06009	0.6
118.04145	4.3
119.04926	46.7
119.08575	2.1
121.02840	0.9
121.10090	1.7
122.03622	0.8
123.04382	1.0
123.08034	1.9
123.11669	1.5
125.05953	0.6
125.09651	1.2
129.03378	0.7
131.04915	1.0
132.02072	4.1
133.02841	1.1
133.10121	0.7
135.04388	1.6
136.05162	1.7
137.05984	1.6
139.03908	0.9
140.04646	0.8
145.02795	1.0
146.03575	1.7
147.04388	37.6
147.11655	1.7
148.04828	0.6
149.02313	6.3
149.09575	1.0
151.07501	1.0
153.05470	0.6
155.07008	0.8
157.03966	3.1
160.01581	0.7
161.09641	0.8
161.13237	0.9
162.03073	0.7
163.03914	2.5
163.11147	0.6
164.04668	4.6
165.05675	0.6
165.12758	0.7
167.06989	2.0
167.10645	2.0
169.10075	0.6
171.11542	0.6
174.03139	1.5
175.03883	62.8
176.04289	0.6
177.01846	2.3
179.07016	4.3
179.08513	0.7
180.04123	2.3
183.06441	1.5
183.13727	1.3
192.04147	19.2
193.04881	1.2
195.06520	0.8
207.06500	100.0
207.13753	2.3
208.06839	1.2
210.10272	0.7
225.05493	1.2
225.07503	2.5
225.09331	1.1
225.12825	1.0
225.14828	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	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03922	0.8
55.01861	0.9
55.05492	2.1
56.96538	0.8
57.03429	1.0
57.07049	1.0
59.04961	0.6
65.03922	2.5
67.05497	3.6
69.03406	1.9
69.07060	3.1
69.16405	0.5
70.06559	0.7
71.04984	3.9
71.07767	1.6
77.03917	1.4
77.83205	0.6
78.04662	0.5
79.05488	3.1
81.03407	1.0
81.07053	4.4
83.04958	2.1
83.08596	1.0
85.02892	4.9
85.06529	1.5
89.03885	1.5
90.04714	0.6
91.05467	45.7
93.07033	3.2
95.04984	3.5
95.08615	3.7
97.02848	0.8
97.06503	1.4
99.04443	7.6
99.08064	0.6
103.05433	2.3
105.03372	2.5
105.07007	2.7
107.04931	2.3
107.08566	5.1
108.05710	0.7
109.06503	3.1
109.10137	9.8
111.04469	1.0
111.08059	1.3
118.04137	4.8
119.04923	44.0
119.08529	3.0
121.02822	1.4
121.06454	1.4
121.10133	5.0
122.03603	0.7
123.04411	1.9
123.08047	4.9
123.11665	2.7
125.05956	1.1
125.09602	0.9
127.11221	0.9
131.04880	0.8
131.08560	0.8
132.02011	3.2
133.02812	1.5
133.10066	2.5
135.04404	2.1
135.08046	1.2
135.11696	1.1
136.05159	1.6
137.05920	1.6
137.09579	2.4
137.13246	0.6
139.11139	1.2
141.07066	0.8
146.03604	1.6
147.04385	38.4
147.08018	1.1
147.11707	3.1
149.02336	4.9
149.09601	8.4
151.03896	1.2
151.07518	1.4
153.05431	1.0
155.06984	0.9
157.03940	2.8
161.09543	1.0
161.13200	2.3
162.03014	0.7
163.03882	1.5
163.11150	1.9
164.04677	4.5
165.05460	1.4
165.06960	0.8
165.09070	0.9
165.12703	1.7
167.06993	2.3
167.10672	3.1
169.08670	0.8
169.10092	1.5
173.97449	0.6
174.03142	1.2
175.03883	63.4
176.04338	0.9
177.01778	2.0
179.06966	5.3
179.10614	0.9
179.14311	0.9
180.04146	2.2
181.04932	0.9
181.08553	0.8
181.12286	0.8
182.07161	0.9
183.06485	1.7
183.11697	1.4
183.13664	1.4
189.12720	3.3
192.04143	20.7
193.04932	2.5
195.06538	1.0
197.05974	0.9
197.07954	0.8
197.12991	0.9
203.04007	0.7
207.06497	100.0
207.13776	5.7
208.06818	1.6
225.07367	2.1
225.09161	2.5
225.12692	1.2
225.14563	5.2
225.16441	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	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42145	1.8
64.33509	1.4
69.59957	4.9
69.60381	7.5
76.15421	1.5
83.11497	1.5
89.86610	1.4
90.78788	1.8
101.00857	18.1
119.01903	100.0
121.08349	1.7
124.02469	2.7
137.02942	34.4
142.03474	59.3
160.04524	20.0
161.02916	22.4
177.00948	13.3
179.03979	43.3
184.04634	3.3
187.99289	3.3
190.49562	1.9
199.50108	10.7
200.00131	3.5
202.05566	4.9
211.00816	2.7
219.01927	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	225.0755
Annotation	Sepedonin
Peak:m/z	Relative Intensity
53.03933	0.9
55.01844	1.6
55.05487	3.0
57.03413	0.8
57.07046	2.5
59.04975	0.9
63.19028	0.8
65.03917	2.5
67.05489	4.4
68.99776	0.9
69.03412	2.9
69.07045	3.5
71.04958	3.1
71.70873	1.5
77.03915	1.3
79.05482	4.1
81.03392	0.8
81.07054	12.6
83.04949	3.2
83.08585	1.1
85.02894	42.6
85.06529	1.1
89.03880	1.4
91.05470	42.0
93.03387	0.8
93.07040	4.3
95.04971	8.4
95.08590	5.0
96.08109	0.8
97.06503	1.6
98.21276	0.8
99.04440	5.6
103.05443	2.1
105.03361	2.8
105.07003	6.3
107.04941	3.0
107.08576	6.0
108.05734	0.7
109.06505	4.4
109.10128	6.5
111.04424	1.1
111.08083	2.0
118.04152	4.4
119.04929	45.4
119.08549	5.7
121.02814	1.1
121.06470	2.2
121.10123	7.5
123.04411	7.5
123.08073	7.8
123.11692	36.8
125.05971	6.3
125.09647	1.6
131.08516	1.6
132.02060	2.7
133.02821	1.5
133.10107	1.5
134.03653	1.0
134.91539	0.7
135.04402	2.4
135.08060	1.0
135.11678	1.0
136.05193	1.9
137.05908	1.9
137.09573	2.7
137.13289	0.7
139.07535	1.2
140.04619	1.5
141.05397	0.9
145.02824	0.7
145.10095	1.6
146.03601	1.2
147.04390	42.3
147.08028	2.2
147.11723	3.6
148.05095	0.8
149.02345	6.0
149.05923	0.9
149.09618	6.4
151.03885	1.2
151.07500	2.9
151.11160	1.9
153.05446	0.9
155.07022	3.8
157.03923	3.8
161.09505	1.6
161.13243	2.4
163.03882	2.8
163.11179	4.1
164.04691	4.4
165.05461	1.7
165.09058	1.6
165.12727	2.3
167.07010	2.5
167.10686	3.0
169.08569	1.7
171.11800	1.0
175.03889	68.6
176.04292	0.9
177.01811	2.5
177.12714	1.1
179.07022	5.4
179.10594	1.3
179.14261	0.9
180.04124	1.7
181.06416	0.8
181.08572	4.1
181.12236	1.1
182.05692	0.9
182.07227	1.3
183.06506	9.4
183.13718	1.7
189.12692	4.5
192.04144	21.0
193.04912	2.8
195.10072	1.2
207.06505	100.0
207.13786	15.5
208.06799	1.0
210.06903	1.1
225.07271	5.1
225.09186	2.2
225.14722	8.7
225.16512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	46.1
57.07067	32.2
58.73550	2.7
67.05490	5.3
69.07059	100.0
71.08618	19.9
72.72295	2.5
81.07027	4.3
83.08156	4.8
83.08607	67.8
85.10153	9.8
96.49882	2.9
97.10155	58.0
98.20527	5.6
111.11702	30.9
125.13239	8.2
149.02284	19.1
178.08673	2.9
192.26036	3.2
223.16835	3.5
224.09064	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	224.1278
Annotation	Maokonine
Peak:m/z	Relative Intensity
56.05025	0.9
56.96556	1.1
57.03412	0.6
58.06594	4.1
59.04994	1.0
63.49170	0.7
68.05013	1.5
69.03429	0.9
69.07057	0.9
69.92281	3.6
70.06577	2.2
71.04977	1.0
72.08144	12.7
79.05479	4.7
80.05015	0.6
81.03448	0.7
81.07034	1.2
82.06566	1.0
83.04965	1.1
84.08137	3.2
85.02872	0.8
91.05470	8.7
93.07047	1.4
94.06573	0.7
95.04974	1.6
97.02872	0.6
97.06524	0.8
98.21346	0.9
103.05451	10.5
105.03387	0.9
105.07018	34.7
106.07422	0.6
107.04952	5.3
107.08590	1.2
108.04465	0.8
109.02837	0.9
109.06510	0.7
110.09670	4.9
112.11230	0.7
117.05739	0.5
117.06961	1.3
118.06537	14.2
119.04916	1.4
119.07294	1.5
119.08604	0.9
120.08092	22.4
121.06455	1.3
123.04417	1.5
125.05956	1.0
127.07558	0.6
128.06209	5.2
129.10164	0.6
130.06538	2.8
131.04918	4.2
131.07275	2.4
131.08551	1.6
132.08060	1.6
136.07550	2.2
143.08531	3.7
145.08832	0.7
147.04405	1.5
150.02698	1.3
151.07513	0.6
158.09665	0.7
160.11200	100.0
161.11513	1.1
163.03915	1.4
163.11137	1.5
175.03900	1.9
178.08781	1.9
178.12250	90.5
179.06972	0.6
179.12532	0.8
193.05025	0.7
201.58905	0.5
206.08214	2.2
206.11720	14.4
207.06537	2.2
207.18544	1.8
224.09178	3.4
224.12788	53.3
224.21158	3.5
225.09251	0.9
225.12807	0.8
225.14908	0.6
226.04305	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	223.1688
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03934	1.5
53.81455	0.9
55.05505	7.1
57.03401	1.5
57.07065	4.5
59.02980	0.9
59.04984	1.2
64.39700	1.2
65.03892	1.0
65.11716	0.9
67.05499	5.5
68.57023	1.0
69.03410	2.4
69.07056	12.1
70.15599	5.8
71.04961	1.5
72.34349	1.0
75.67952	0.9
79.05475	6.5
81.07044	18.3
83.01326	5.2
83.04951	3.0
83.08607	6.3
85.06514	3.2
91.05459	7.9
93.07033	23.8
95.04964	1.9
95.08585	23.3
96.49331	0.9
97.06514	2.9
97.10155	2.2
99.08093	1.1
105.07004	7.9
106.04149	1.1
107.08574	39.8
107.76524	0.9
109.06487	8.9
109.10143	10.8
111.08035	2.9
117.06982	1.4
119.08552	8.0
120.88291	0.9
121.02796	1.2
121.06534	4.9
121.10127	45.0
123.08039	5.0
123.11675	6.9
125.09598	2.9
131.08516	4.3
133.10110	21.5
135.08037	12.3
135.10748	1.7
135.11673	21.0
137.09587	3.8
137.87567	0.9
139.11108	1.1
145.10069	8.3
147.11671	5.8
149.02313	21.9
149.09589	7.1
149.13231	19.3
151.11130	5.2
159.08031	3.5
159.11667	2.7
161.13232	3.7
162.06763	5.3
163.07516	5.9
163.11162	6.2
163.14813	12.0
165.06949	1.1
172.12399	1.4
175.14865	4.7
177.05434	1.1
177.09096	10.3
177.12550	1.7
177.16353	23.4
187.07553	3.0
187.14777	8.9
193.10191	1.0
205.08575	45.1
205.15831	18.1
223.06145	1.7
223.09563	16.8
223.15068	3.5
223.16884	100.0
224.17282	2.1
225.04250	4.0
227.02023	1.4
234.50378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.63203	1.3
53.03935	5.9
55.01858	5.7
55.05502	9.9
56.96563	1.6
57.03412	3.0
57.07074	6.9
59.04987	6.1
61.95180	1.3
63.11125	1.2
65.03918	2.1
67.05493	14.9
68.99763	2.2
69.03149	1.2
69.03428	14.6
69.07069	9.8
70.06575	5.8
71.04980	4.4
71.78909	2.3
72.08132	6.2
73.02902	3.1
77.03891	1.4
79.05488	13.0
81.03402	5.5
81.07042	11.5
83.04971	20.4
83.08604	3.9
84.08130	7.0
85.02901	7.2
85.06525	5.3
86.09699	5.6
87.04449	3.0
89.06026	5.3
91.05461	36.6
93.07033	86.3
95.04955	24.3
95.08587	14.3
97.02870	9.5
97.06523	8.9
98.97555	3.1
99.04451	8.2
103.05446	5.8
103.07496	1.4
105.03360	3.0
105.07010	19.5
107.04939	8.2
107.08579	32.1
109.02863	3.1
109.06505	15.0
109.10136	5.6
110.06013	3.5
111.04417	3.7
111.08044	8.7
113.05988	4.2
115.05434	3.7
116.98621	2.3
117.03419	1.9
117.06987	11.6
119.01910	2.4
119.04955	3.4
119.08545	12.5
120.08067	3.3
121.02853	3.8
121.06489	100.0
121.10109	19.2
122.07092	1.7
122.09685	1.5
123.04410	2.2
123.08052	7.3
123.11715	2.4
125.05992	2.5
125.09618	6.0
127.07544	10.2
129.06987	4.0
129.10188	2.9
130.07764	2.7
131.04892	4.5
131.06920	2.2
131.08556	9.2
133.06502	2.5
133.10136	8.1
134.99568	1.7
135.04413	8.1
135.08051	12.8
135.11676	7.0
137.05940	5.8
137.09616	4.9
139.03893	1.7
139.07504	11.3
139.11159	1.7
141.09152	1.5
142.07721	2.1
143.01837	2.0
143.08537	1.7
144.09308	3.8
145.02850	1.9
145.06485	7.5
145.10094	13.1
147.04413	2.1
147.08058	7.4
147.11703	1.8
149.02325	33.0
149.05952	6.7
149.09604	37.2
149.13235	3.7
151.03868	4.1
151.07541	3.9
151.09641	1.8
151.11218	1.5
153.09065	8.5
157.10104	5.8
159.08020	5.2
159.11685	17.0
161.02974	1.8
161.05989	4.6
161.09613	6.2
162.03078	3.2
163.03882	22.4
163.07513	9.7
163.11185	17.5
164.04428	1.6
164.06984	2.5
164.10641	2.8
165.06952	1.8
165.09109	9.0
167.07025	8.6
167.08328	2.0
169.10161	1.9
172.08829	3.5
173.05937	1.8
175.07552	2.2
175.11145	12.6
177.00620	3.1
177.05411	9.4
177.07346	4.5
177.09000	15.0
177.12680	13.1
179.07028	1.8
179.10669	3.9
181.04851	1.8
181.08562	2.3
181.12230	1.3
187.07520	3.2
187.11162	13.5
190.02585	3.9
191.07039	2.9
192.07822	1.7
193.12199	1.5
195.06479	2.5
195.08061	2.8
195.13741	1.6
204.02045	1.3
205.04822	2.1
205.08551	11.4
205.12135	26.3
206.12794	1.6
208.03656	3.0
223.05786	21.9
223.07652	4.6
223.09616	11.5
223.11307	3.0
223.13148	43.7
223.16946	3.4
224.09160	3.7
225.04256	17.9
227.02228	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	222.1122
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
53.03930	0.8
55.01859	1.1
55.05479	2.5
55.74070	0.6
56.05013	1.7
56.96556	4.6
56.96792	0.9
57.03403	0.7
57.07040	1.3
58.07394	0.7
59.04964	1.0
60.04516	4.0
60.05605	0.8
61.02905	0.8
62.05399	0.6
62.55633	0.7
63.60826	0.6
64.31144	0.6
67.05476	1.8
69.03399	2.5
69.07039	2.0
70.02943	0.8
70.06579	14.4
71.01327	0.8
71.78401	0.6
72.04485	1.4
72.08113	3.0
73.02891	1.4
74.06050	0.8
74.14473	0.7
79.05460	1.1
80.05007	1.0
80.32552	0.7
81.03381	1.6
81.06987	1.5
83.04960	1.1
84.04486	1.5
84.08119	5.3
84.96023	0.7
85.02867	2.9
85.06522	0.7
86.09679	2.5
87.04442	1.0
88.03971	0.8
90.05534	7.5
91.05404	1.2
91.05910	1.4
92.05954	3.6
93.07015	1.9
94.06528	1.3
95.01298	2.2
95.04926	2.4
97.02863	1.7
98.02392	0.7
98.06032	0.8
98.97560	3.4
101.06020	1.1
103.05448	27.0
105.07024	1.7
107.04929	1.7
107.08585	0.8
109.02867	1.5
110.05997	0.8
110.07140	1.2
111.08065	0.8
113.05986	0.8
116.03419	1.1
116.07056	6.7
116.98617	5.0
118.03905	1.1
120.08096	14.7
120.08955	1.1
120.97858	1.1
121.06471	2.2
121.10114	1.0
122.03583	0.9
123.08014	0.8
124.03933	1.5
124.07558	1.7
126.05489	0.8
127.07027	1.1
129.10181	1.0
130.06500	11.7
131.04906	63.4
132.04396	3.3
133.04785	1.1
134.05949	1.0
134.99649	3.8
136.06133	0.8
136.07494	1.0
137.05952	13.1
138.05415	1.3
138.06343	1.0
138.98897	1.1
146.99611	1.0
148.03877	1.1
148.07550	4.9
149.01204	1.0
149.02286	3.0
149.05873	1.6
158.01212	1.4
158.05972	3.5
158.07983	1.3
158.99593	1.2
159.06323	1.9
160.09612	0.9
160.12184	1.3
161.01041	0.8
161.06001	0.9
161.08321	3.2
162.06287	1.2
162.09108	0.8
163.03810	1.2
163.07512	39.4
167.07019	1.0
176.05606	1.1
176.07010	15.6
176.08997	2.8
176.10532	1.4
177.00624	2.0
177.05447	0.8
177.08992	1.2
180.10144	4.6
184.09587	1.3
186.10121	1.6
189.07805	4.2
190.08633	6.1
191.08389	1.1
194.04457	31.2
194.16141	0.9
195.04802	1.0
198.96794	1.5
204.06693	2.0
204.10002	2.0
204.11411	1.9
207.08864	8.3
210.02754	1.0
216.97961	1.8
219.08002	1.1
222.03920	16.7
222.07587	4.1
222.11189	100.0
222.14861	5.0
222.65436	1.0
223.05981	1.1
223.11316	1.5
225.04221	2.3
227.02130	1.0
233.23854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.83129	1.0
53.00278	1.3
53.03934	2.4
55.05506	8.6
57.07055	3.9
63.31380	1.0
65.68982	1.0
67.05493	11.3
69.03439	1.0
69.07055	10.9
71.04386	2.2
71.04511	0.9
71.04975	19.0
73.06528	1.1
77.84829	1.0
78.09427	0.9
79.05477	19.1
81.07040	100.0
83.08582	3.7
85.06512	2.8
91.05463	11.6
93.07024	41.7
95.04963	2.3
95.08590	27.6
97.06500	2.1
97.10159	1.8
98.18110	1.2
99.08064	4.5
101.02329	1.8
105.07010	37.8
105.29642	1.0
107.08575	50.3
109.06491	2.8
109.10133	30.4
111.08054	2.6
111.11687	1.4
113.09657	1.4
115.05400	2.0
117.07022	2.8
119.08555	59.7
120.08889	1.0
121.06497	1.4
121.10114	13.6
123.11687	12.6
125.09622	1.4
127.11182	12.8
133.06476	1.4
133.10100	18.4
133.11009	2.0
135.11668	81.3
136.08311	1.0
137.13197	1.3
143.08551	1.1
145.10045	2.0
147.04408	2.1
147.11656	21.7
149.05731	1.0
149.13242	9.3
151.11098	1.4
159.11618	1.4
161.05922	1.6
161.13251	9.9
162.06604	1.4
163.14793	9.9
165.12740	2.3
175.07500	1.6
175.14784	2.8
177.09067	19.2
177.16376	2.4
178.09598	1.3
203.17908	39.9
210.14944	1.1
221.08067	1.8
221.11749	1.8
221.15607	5.9
221.18973	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	1.2
55.05501	6.5
57.07069	2.3
65.03941	0.8
65.77896	0.5
67.05501	5.4
69.07059	6.2
70.39732	2.3
71.04981	14.2
79.05480	14.4
80.05826	0.6
81.07042	63.6
82.07373	0.9
83.04951	0.7
83.08614	3.4
85.06543	0.8
91.05470	7.8
93.07028	30.4
95.04949	1.4
95.08588	15.9
97.06506	1.3
97.10155	1.1
99.08086	3.7
105.07014	15.9
107.08575	51.9
109.06525	2.4
109.10140	16.1
111.08054	1.2
111.11663	0.6
113.09619	0.8
117.07025	1.4
119.08564	32.8
120.09248	0.4
121.10124	5.8
121.46479	0.5
121.53310	0.4
123.08046	1.1
123.11688	15.1
124.11976	0.6
125.09583	1.0
125.64437	0.5
127.11167	7.5
128.06256	0.4
131.08493	0.5
133.06511	0.4
133.10106	20.9
134.10437	0.5
135.11670	100.0
136.12030	2.3
137.09589	1.8
137.13246	2.1
145.10094	2.1
147.11659	13.2
149.13231	4.2
151.11134	1.2
159.11673	0.7
160.12358	0.6
161.05939	0.7
161.09669	0.8
161.13237	10.1
162.06674	0.5
163.14832	3.1
165.12801	0.6
175.07489	0.7
175.14790	1.7
177.09065	5.3
177.16344	0.8
185.13269	0.6
203.10632	0.7
203.17917	27.6
204.18283	1.5
221.07971	0.8
221.11713	1.1
221.15564	3.9
221.18967	23.6
222.19142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
53.03914	0.6
55.05507	4.2
57.07054	2.3
59.04990	0.8
67.05490	7.8
69.03419	0.9
69.07066	14.2
71.04971	1.8
71.33024	0.7
71.79011	0.9
79.05488	5.1
80.05774	0.7
81.07046	20.3
83.04964	1.1
83.08630	3.3
91.05423	3.8
93.07031	8.9
95.04943	2.3
95.08602	18.8
97.06522	21.6
97.07157	1.1
97.10140	1.6
98.97576	0.9
102.87515	0.8
105.07018	17.8
107.04962	1.4
107.08582	13.7
109.06485	3.7
109.10141	12.1
111.08075	3.2
116.98602	1.5
117.06966	1.8
119.08566	17.8
120.07526	0.7
120.08897	0.7
121.06469	1.9
121.10120	7.8
123.08034	4.5
123.11679	4.7
125.09638	1.2
130.06558	1.0
130.68898	0.7
133.06488	7.0
133.10107	9.0
134.99625	1.5
135.11674	4.1
137.05968	1.3
137.09602	73.3
137.13216	5.2
138.09990	1.6
143.08556	1.1
145.10101	2.0
147.04504	0.9
147.08034	3.3
147.11662	16.8
149.13249	3.7
150.40997	0.7
151.07472	0.8
151.11150	2.4
151.14935	0.7
157.10095	0.9
158.01231	1.1
159.11688	1.3
161.09598	2.3
161.13234	9.4
163.07579	0.7
163.14825	4.0
165.05461	3.1
165.09119	1.0
165.12732	6.4
175.11209	1.1
175.14789	5.2
177.09161	1.1
177.16399	1.3
178.13467	1.5
179.14281	3.0
185.13251	1.6
200.11929	0.7
203.07126	1.0
203.10626	1.4
203.14299	11.2
203.17938	14.3
206.16158	1.7
206.23277	0.7
221.04433	2.4
221.08122	3.4
221.11560	3.9
221.15385	5.3
221.18990	100.0
222.19341	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.10093	0.2
52.49014	0.2
53.03929	0.2
55.05492	1.4
57.07050	0.8
65.03917	0.3
67.05490	1.7
69.07054	1.6
71.04981	1.6
71.08607	0.2
71.79630	0.2
71.82802	0.2
79.05478	1.8
81.07044	8.1
82.07359	0.3
83.04967	0.7
83.08601	0.6
85.06539	2.6
89.26789	0.2
91.05470	2.3
93.07036	4.2
94.23088	0.2
95.04945	0.4
95.08592	4.2
97.06520	0.3
97.10124	0.2
99.08067	0.5
105.07015	4.6
107.08576	6.2
109.06503	1.0
109.10140	4.1
111.08049	0.5
111.11743	0.2
115.05441	0.8
116.06248	0.4
117.07006	4.0
119.04921	0.4
119.08569	5.2
121.06484	0.5
121.10123	1.9
123.08031	0.5
123.11685	2.2
125.09628	0.4
126.67346	0.2
127.11182	0.6
128.06204	1.1
129.06966	0.3
131.08540	0.5
133.06482	0.5
133.10112	2.6
134.07260	0.8
135.08063	0.9
135.11673	5.8
137.09598	0.3
137.13239	0.3
139.11159	0.7
143.08543	1.2
144.05733	0.5
145.06467	1.0
145.10060	0.3
147.04404	0.3
147.08009	0.5
147.11665	3.7
149.02316	0.5
149.05948	0.4
149.09622	0.5
149.13222	0.7
151.07552	0.3
151.11148	0.5
159.11563	0.3
160.05167	0.4
161.05945	0.8
161.09662	0.2
161.13239	1.7
162.06735	4.6
162.08026	0.3
163.07156	0.3
163.11180	0.3
163.14832	1.5
165.12730	0.8
171.07994	0.5
175.07526	2.8
175.08896	0.3
175.14821	0.6
176.14398	0.2
177.09081	100.0
178.09435	5.3
178.11948	0.2
179.14346	0.2
188.08386	0.2
189.05403	0.3
193.08575	0.4
193.15753	0.2
203.06963	0.3
203.10629	0.8
203.14299	0.4
203.17938	4.7
203.19855	0.2
212.25636	0.2
221.06010	0.4
221.08083	0.5
221.10178	0.2
221.11804	1.4
221.15355	0.9
221.17213	4.6
221.19012	6.9
222.19279	0.3
242.18130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	0.8
55.01852	1.4
55.05508	5.2
55.21466	0.6
57.03418	0.7
57.07066	3.8
59.04992	1.3
59.97028	0.6
67.05497	12.3
69.03408	1.1
69.07058	13.0
71.04983	4.5
79.05478	6.7
81.07043	24.9
83.04959	1.0
83.08604	6.2
85.06510	1.0
88.13863	0.6
89.52459	0.7
91.05473	6.9
93.07029	12.8
95.04951	1.9
95.08593	43.6
97.06500	1.5
97.10176	4.7
97.27528	0.5
99.08068	2.3
99.08678	0.6
105.07015	22.0
107.08575	26.8
109.06490	2.2
109.10139	35.0
111.08072	1.3
111.11674	1.9
113.09632	5.4
116.98610	1.5
117.07026	0.8
119.08560	15.1
121.10124	16.1
123.08070	2.9
123.11684	12.7
125.09612	27.9
133.10103	20.5
134.99651	0.9
135.11667	10.5
137.05925	1.0
137.09599	1.4
137.13229	3.8
138.06642	0.6
139.11157	1.6
145.10100	0.8
147.11667	22.6
148.12241	0.7
149.13234	2.7
151.11147	5.0
158.01202	0.9
159.11659	0.6
161.09589	1.0
161.13234	15.0
163.07535	0.7
163.14798	32.9
165.05472	0.7
165.09113	0.8
165.12752	2.9
175.11098	0.9
175.14815	2.5
177.09030	0.9
177.16348	2.0
193.19484	1.3
203.17921	56.9
204.18323	1.5
206.16368	0.8
206.67085	0.6
221.04436	1.0
221.07999	1.8
221.11639	1.6
221.15379	4.0
221.18970	100.0
222.19336	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	221.1895
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05499	6.8
57.07059	3.9
59.04989	4.6
67.05481	9.6
68.76662	0.7
69.06740	0.8
69.07054	10.9
71.01054	2.3
71.04953	2.2
79.05485	8.1
81.07042	26.2
83.04964	1.3
83.08609	3.9
85.06532	1.2
90.49820	0.9
91.05455	13.8
93.07023	15.6
95.04935	1.4
95.08582	34.8
95.09189	1.7
97.10155	1.6
98.93024	0.8
99.08067	1.9
103.05416	1.6
105.07007	52.5
106.07353	1.6
107.04900	1.1
107.08571	30.4
109.06483	1.8
109.10138	24.6
110.10448	0.8
111.08036	1.7
112.15031	0.9
115.05362	0.9
117.06985	4.5
119.08552	43.9
121.10114	14.9
123.11671	11.2
123.45329	0.9
125.09579	1.3
131.04890	0.8
131.08502	4.8
133.10100	27.9
135.11656	17.7
137.05945	21.3
137.09557	1.8
138.06255	1.5
139.11038	1.0
143.08527	4.5
145.06462	8.8
145.10085	5.6
147.11653	100.0
148.12015	2.6
151.03902	8.0
151.07489	1.9
151.11113	1.6
152.04126	0.9
159.11635	2.0
160.08763	0.8
160.12434	2.4
161.09673	0.9
161.13220	19.4
162.06734	4.5
163.07466	2.1
163.14803	10.3
165.05408	2.7
165.12630	1.4
171.07976	3.8
175.07462	1.4
175.11212	1.8
175.14758	4.5
177.09070	7.2
177.16309	1.7
179.07086	0.8
179.10602	1.0
188.08232	4.0
203.10635	15.2
203.17912	95.6
204.11006	1.3
204.18286	4.0
206.10837	0.8
206.16220	1.0
221.08163	1.5
221.11650	30.0
221.15088	6.2
221.18941	26.9
222.07568	1.2
222.11931	3.0
222.19173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1895
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03922	1.2
55.05497	8.8
57.07065	6.5
59.04981	2.6
67.05505	10.7
69.07056	11.9
69.72675	1.1
71.04965	3.2
71.16642	2.6
79.05471	4.7
81.06599	1.5
81.07045	23.8
83.04944	1.7
83.08595	4.0
85.06503	3.2
89.92838	1.1
91.05451	13.2
93.07024	21.1
95.04928	2.7
95.08595	39.4
97.06503	1.5
99.08064	4.2
103.05433	1.4
105.07010	51.7
107.08573	43.2
107.09318	1.6
109.06487	3.2
109.10139	21.7
111.04447	1.5
111.08057	3.3
117.06995	1.9
119.08562	41.6
121.06509	1.3
121.10126	13.4
123.08056	2.4
123.11682	21.2
125.09622	2.4
128.06195	1.2
131.08546	3.1
133.10104	33.9
135.08081	1.4
135.11668	52.0
137.05956	3.9
137.09592	1.6
143.08569	2.8
145.06413	1.7
145.10095	4.5
147.11659	84.2
148.12048	1.6
149.13257	2.8
151.11168	2.1
158.66628	1.1
161.09633	2.3
161.13234	24.3
163.14821	8.5
165.05428	2.0
165.12761	1.9
171.07904	2.0
175.07547	1.4
175.14775	5.1
177.09058	1.4
177.16379	2.4
179.10579	1.8
203.10674	1.5
203.17917	100.0
204.18271	3.7
221.04404	2.3
221.11693	3.7
221.15645	6.8
221.18974	49.6
222.07526	1.4
222.19449	1.6
232.63408	1.1
243.93864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03916	1.4
55.05496	11.6
55.12191	1.2
56.25089	1.1
56.96546	1.4
57.07058	8.4
59.04969	4.3
65.03915	1.7
67.05492	24.4
69.03402	2.4
69.06731	1.9
69.07054	21.1
69.49463	10.3
69.49873	2.2
71.04980	6.6
71.08615	1.3
79.05474	14.4
81.07038	55.0
82.07333	2.1
83.04956	1.4
83.08608	13.8
85.06522	8.6
88.95765	1.0
91.05434	8.3
93.07024	21.4
94.02930	1.1
95.04951	8.8
95.08588	68.9
97.06509	2.1
97.10144	8.4
105.06319	2.5
105.07011	43.2
105.07710	2.9
107.08573	55.1
109.06444	2.3
109.09389	2.7
109.10137	55.5
111.08037	4.3
111.11697	3.6
113.09620	5.0
116.98574	2.7
117.07000	2.1
119.08561	25.5
120.08822	1.9
121.06447	1.9
121.10113	31.6
123.08036	3.5
123.11687	28.4
125.09609	7.7
131.08528	2.4
133.10104	25.7
134.99606	2.0
135.08089	2.2
135.11665	12.2
137.05923	2.7
137.09569	4.1
137.13223	11.3
139.11165	1.4
143.08488	1.8
145.10097	3.6
147.07999	4.2
147.11653	56.9
149.02301	5.6
149.13254	2.4
151.11171	2.1
151.14789	1.7
158.05940	1.6
159.11606	1.9
161.05829	1.4
161.13222	35.9
163.11101	3.0
163.14790	44.0
165.05357	3.1
165.09097	7.8
165.12643	2.2
175.07504	2.2
175.11151	1.4
175.14798	7.7
177.09038	2.0
177.16316	6.4
178.09851	1.5
179.14276	6.6
185.13159	1.8
193.19438	3.0
203.10641	2.2
203.14301	4.2
203.17912	100.0
204.18262	4.8
206.10811	2.2
221.04306	2.0
221.07968	3.1
221.11612	7.2
221.13393	2.2
221.15456	26.3
221.18961	83.8
222.19312	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	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.07065	0.3
59.04977	0.2
59.62809	0.1
65.03956	0.1
67.05495	0.7
69.07040	0.6
70.24638	0.8
71.04981	0.7
79.05489	0.8
81.07037	2.8
83.04948	0.4
83.08623	0.3
85.06529	0.9
91.05449	1.1
93.07033	1.7
95.04969	0.2
95.08588	1.6
97.06479	0.2
99.08083	0.2
103.05449	0.2
105.07016	1.9
107.04912	0.1
107.08573	2.5
109.06476	0.2
109.10139	1.6
111.08109	0.1
113.09641	0.2
115.05432	0.9
116.06226	0.5
117.07006	4.2
119.04929	0.2
119.06874	0.2
119.08578	2.1
121.06469	0.6
121.10127	1.0
123.08034	0.1
123.11679	1.0
127.11191	0.2
128.06203	0.9
129.06976	0.2
131.04970	0.2
131.08504	0.3
133.06468	0.6
133.10117	1.1
134.07231	0.9
135.08031	0.7
135.11673	1.6
137.05997	0.3
137.09624	0.2
137.13214	0.2
143.08571	0.9
144.05655	0.4
145.06517	0.7
145.10034	0.1
146.07228	0.2
147.04395	0.3
147.08044	0.3
147.11665	1.5
149.09578	0.3
149.13228	0.3
151.07375	0.2
160.05167	0.4
161.05894	0.7
161.09647	0.2
161.13231	0.6
162.06743	4.2
163.14819	0.5
165.06979	0.2
165.12697	0.3
171.08031	0.6
175.07527	2.4
175.11122	0.2
175.14856	0.3
177.09082	100.0
178.09441	1.3
188.08257	0.2
203.10616	0.8
203.14293	0.2
203.17941	1.9
205.87009	0.1
221.05977	0.2
221.08035	0.4
221.11725	1.4
221.15306	0.3
221.17259	2.6
221.19014	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00237	0.1
51.00525	0.1
53.51714	0.1
57.49878	0.2
68.06586	0.2
70.34886	0.4
70.35297	0.6
71.04980	0.2
74.06020	0.1
79.05464	0.4
81.07045	0.8
85.94759	0.2
89.95208	0.2
91.05462	0.8
93.07032	0.7
95.08550	0.3
98.20714	0.2
105.07032	0.6
106.07806	0.2
107.08582	0.8
109.10137	0.3
115.05417	0.8
116.06207	0.6
117.07004	3.8
119.04933	0.3
119.08560	0.7
121.06425	0.2
123.11660	0.2
128.06206	0.7
133.06462	0.6
133.10091	0.3
134.07239	0.8
135.08018	0.6
135.11649	1.1
143.08537	1.0
144.05687	0.7
145.06454	0.6
147.08051	0.3
147.11661	0.3
149.09581	0.2
160.05141	0.3
161.05963	0.3
162.06740	4.6
165.92612	0.2
171.08037	0.6
175.07520	2.2
177.09081	100.0
178.09433	1.3
188.08212	0.2
203.10637	0.4
203.17978	0.3
221.05962	0.3
221.11700	0.8
221.17206	1.8
221.19063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05465	0.6
56.18102	0.4
57.07042	1.0
63.99720	0.4
67.05470	0.7
68.84032	0.4
69.03395	0.4
70.06578	3.6
70.77287	1.0
70.77684	1.0
73.19231	0.6
81.07007	1.3
82.02895	1.9
83.08570	0.5
84.08104	0.7
85.02859	0.5
91.05449	1.0
93.06954	0.6
94.06534	2.8
94.73429	0.4
95.08588	0.8
97.02860	0.7
103.05473	0.7
104.04918	0.5
105.06991	0.6
107.08554	0.9
109.10128	1.1
111.08035	0.7
115.05421	0.8
116.07060	3.3
119.08509	1.0
120.08047	1.0
121.06491	0.8
127.06995	1.1
130.06508	43.3
131.04881	0.4
131.06847	0.8
132.04427	29.4
133.06415	0.5
133.10072	1.2
137.05930	0.8
137.09576	0.8
147.06285	0.9
147.09134	0.8
147.11682	0.5
148.07542	0.8
157.06282	0.6
157.07588	19.9
158.05989	64.6
159.06303	0.9
161.03192	0.5
161.05925	2.9
161.09705	0.6
175.08641	100.0
176.07024	1.8
176.08998	0.8
179.10791	0.5
186.05530	2.1
191.08516	0.5
196.55040	0.5
202.07761	0.5
203.06775	0.9
203.08331	0.8
204.06543	5.8
221.09209	30.9
221.15326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1693
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.73766	0.1
68.16614	0.1
69.00429	0.1
70.97310	0.4
84.17802	0.1
103.51593	0.1
106.06551	0.1
117.07054	0.1
118.06532	7.1
119.07332	0.2
120.08076	0.2
132.08057	2.0
133.08849	1.0
134.09630	0.5
144.08064	0.2
146.05997	0.1
146.09615	2.1
147.10431	0.3
148.11163	0.3
153.15994	0.1
160.11195	0.3
161.11934	0.1
162.09120	4.6
176.10770	3.0
176.14326	23.3
177.11441	1.2
177.14720	0.2
189.15059	0.2
190.09552	0.2
190.12234	2.3
191.12949	0.1
202.15817	0.6
204.13805	0.2
205.15790	0.2
216.56987	0.1
220.16939	100.0
221.17290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1329
Annotation	Darlingine
Peak:m/z	Relative Intensity
53.03929	0.5
55.01852	0.6
55.05502	1.2
57.03431	0.6
57.07056	1.5
58.99590	0.8
66.52676	0.5
67.05484	1.7
69.03413	1.4
69.07047	1.2
70.06573	1.4
70.07369	0.5
71.01320	1.3
71.54030	0.8
72.08118	0.6
73.02910	0.7
75.04447	1.0
76.04793	0.9
79.05482	1.4
80.05000	0.5
81.03416	0.4
81.07032	2.4
83.08588	0.9
83.18212	0.4
84.04482	1.3
84.08160	0.5
85.01114	0.6
85.06502	0.5
86.09699	2.3
87.04456	66.3
88.04765	1.3
90.05553	1.1
91.05453	1.7
93.05802	0.6
93.07011	0.6
94.02901	0.5
94.06535	0.7
95.04943	1.4
95.08569	0.8
97.02866	0.8
103.03931	1.5
103.05453	0.9
104.04250	1.2
105.03378	14.2
105.05506	0.4
105.07016	1.7
106.03708	0.7
107.08588	0.7
108.08135	0.6
108.08942	0.4
109.02823	0.9
109.10122	0.4
110.07140	1.0
111.08067	0.8
115.05445	0.8
116.07075	0.7
117.07025	1.7
118.06527	5.8
119.07314	6.4
119.08554	1.0
121.06495	0.8
121.10110	0.9
122.06017	1.2
124.03920	1.1
128.06248	0.4
130.06497	0.8
131.01642	0.9
131.04918	0.9
132.04515	0.8
132.08070	0.7
132.95833	0.7
133.06503	1.0
133.10126	1.1
134.09633	100.0
135.04320	0.4
135.09958	2.4
136.06163	9.9
137.05994	1.1
145.02861	0.6
145.10110	0.9
146.05972	1.6
146.07002	0.5
147.04420	0.9
147.06287	0.4
148.04245	2.4
150.05547	0.5
151.07475	0.5
152.07042	0.6
157.07671	0.6
158.05989	0.9
159.02850	0.7
160.03197	2.0
160.05107	0.6
161.05998	2.0
161.09593	0.8
163.03893	2.3
167.10811	0.5
174.05449	0.5
174.09090	0.6
174.11272	1.0
175.07425	1.2
175.08691	1.3
177.09125	2.7
177.12733	1.1
178.05002	0.5
189.05693	0.6
190.09521	0.5
192.06538	1.0
192.10292	0.7
202.05412	0.5
202.08939	0.6
202.10660	0.7
202.18015	0.9
203.07118	1.3
203.10645	0.9
204.14674	2.3
205.15857	8.0
210.57768	0.8
214.81348	0.5
220.06140	1.8
220.13348	95.6
220.17693	10.3
221.04410	0.6
221.08122	1.3
221.11746	1.3
221.13652	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	220.0601
Annotation	6-Hydroxyindole-3-carboxaldehyde
Peak:m/z	Relative Intensity
57.72746	0.3
61.47374	0.2
71.70747	0.4
94.50232	0.3
96.48685	0.2
105.03367	0.6
132.04427	1.3
140.80965	0.3
150.05484	1.7
160.03922	0.5
178.04967	100.0
179.05302	0.8
206.04456	25.2
207.04778	0.3
220.06018	43.2
220.17729	0.3
221.06398	0.5
223.49579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01854	1.1
55.05488	0.8
57.07059	6.5
59.04993	4.9
61.02917	1.0
67.05476	4.7
69.07067	5.0
70.02954	5.2
70.57202	2.2
71.01324	1.0
72.04507	15.1
73.02905	3.2
74.02420	1.4
75.04487	1.7
76.04800	0.9
83.04967	1.0
85.06533	9.6
86.09660	0.8
87.04459	1.6
87.08088	2.0
87.28717	0.7
90.05542	100.0
95.04958	5.7
96.08118	1.8
98.02399	13.2
98.06034	1.9
100.03957	2.6
103.03907	2.0
103.07564	7.3
104.04263	1.8
113.05981	3.6
116.03442	12.8
124.07568	17.4
131.07047	1.2
140.10669	1.4
142.08604	8.1
156.10262	1.0
158.11752	6.0
159.02869	2.0
160.03214	5.2
160.09607	2.1
166.08617	2.2
174.05544	0.7
174.11227	1.6
184.08043	1.1
184.09677	20.2
202.10718	30.3
203.11026	0.7
205.15767	1.1
220.11763	43.9
220.15317	2.0
220.17583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03915	1.4
55.05497	5.6
57.07053	2.4
59.46432	0.8
67.05500	6.5
69.07058	4.7
70.06564	1.0
71.04980	12.2
71.14351	2.6
79.05071	1.4
79.05482	15.9
81.06591	1.7
81.07040	18.5
83.04961	2.8
83.08615	1.4
85.06533	1.9
88.07636	2.2
91.04901	1.9
91.05459	25.0
91.06019	1.5
93.07016	15.2
95.04950	3.1
95.08595	9.9
97.06530	4.3
97.10152	2.5
99.08074	1.0
103.05432	1.3
105.07012	64.5
106.08624	1.7
107.08572	11.5
109.06485	1.6
109.10125	7.0
110.61356	0.8
111.08052	4.2
115.05432	3.1
117.07005	7.0
118.07760	1.0
119.08568	13.4
121.06462	2.0
121.10130	10.4
123.08017	1.2
123.11682	2.2
125.09605	15.8
128.06146	1.6
129.06972	6.0
130.07784	2.0
131.04863	1.4
131.08551	15.8
133.10106	100.0
135.08015	1.2
135.11647	3.5
139.11139	1.5
141.06969	5.0
143.08540	1.5
144.09355	0.9
145.06473	1.6
145.10112	14.1
147.11649	9.0
149.09547	1.9
149.13219	1.9
157.06432	2.6
158.07193	2.1
159.08034	3.8
159.11688	15.1
160.05212	1.2
161.09506	0.9
161.13243	7.8
163.11087	2.2
169.06430	1.9
173.13240	4.0
174.06717	9.4
175.07451	2.5
175.14792	1.9
177.16338	1.3
186.06691	1.7
189.09070	12.9
189.12656	1.2
191.10565	1.3
201.05423	1.3
201.09061	5.4
201.16360	14.0
201.20343	1.9
203.14267	2.9
204.14996	2.7
219.10144	20.1
219.13814	4.0
219.17400	50.0
219.21452	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	219.174
Annotation	(-)-Cryptomerione
Peak:m/z	Relative Intensity
55.01844	0.8
55.05502	8.0
57.07058	2.4
60.75554	0.7
67.05493	9.2
69.03415	10.7
69.07059	19.1
69.68678	6.0
71.04971	1.2
79.05465	4.9
81.06599	1.0
81.07043	13.3
83.04982	4.7
83.08609	5.8
85.06532	3.1
91.05463	7.9
93.07025	35.4
95.04949	2.7
95.08589	11.6
97.06504	4.7
97.10148	1.5
97.13422	0.7
98.21432	1.6
105.07006	12.7
107.04948	1.2
107.08578	20.6
109.06503	12.8
109.10142	29.1
111.08069	5.2
111.11666	0.9
117.07019	3.5
119.08569	13.2
121.05688	1.4
121.06487	16.2
121.10120	11.9
122.07198	0.9
123.08053	6.6
123.10863	1.1
123.11691	15.2
125.09543	1.0
129.06946	1.2
130.07733	1.2
131.08559	5.7
133.10110	8.4
135.08035	41.0
135.11665	20.3
136.08794	1.7
137.09624	6.6
143.08482	1.4
144.09288	1.1
145.08975	0.9
145.10107	19.3
147.08011	1.5
147.11678	5.2
148.08841	0.8
149.09584	12.6
149.13222	2.3
159.02872	0.9
159.11668	10.5
161.09589	4.1
161.13190	4.2
163.11162	33.3
173.13251	1.5
175.14799	8.0
176.11943	4.5
177.12743	7.0
177.16342	1.9
191.17923	8.8
201.09171	0.8
201.16356	10.1
203.14326	6.0
219.10153	2.2
219.17409	100.0
220.17770	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05506	5.7
57.03403	0.9
57.07053	2.8
59.05004	0.7
67.05495	4.5
69.03403	1.0
69.07059	29.5
70.47035	0.7
71.04974	3.0
71.19013	1.4
71.19383	1.6
79.05482	5.2
81.06599	1.0
81.07048	13.1
83.04968	0.9
83.08611	5.3
85.06573	1.4
87.04418	0.9
91.05466	17.1
93.06493	1.3
93.07037	16.8
95.04961	1.8
95.08600	20.0
97.06502	2.2
97.10155	2.1
100.07651	0.7
105.07019	40.2
107.07905	1.3
107.08583	20.9
109.06493	3.9
109.10145	10.1
111.08070	2.3
115.05476	1.2
117.07001	7.4
119.08572	31.6
121.06478	2.7
121.10135	13.2
123.08080	1.1
123.11695	6.6
125.09597	1.7
129.06973	1.9
130.07758	2.1
131.08546	11.4
132.09319	2.4
133.10112	36.8
135.08040	3.6
135.11671	14.2
137.09589	2.0
143.08521	2.6
144.09335	1.3
144.47794	0.8
145.10120	21.3
146.10789	0.9
147.07794	0.7
147.11670	8.9
149.09637	4.8
149.13242	4.0
157.10117	1.9
158.10884	1.3
159.08052	1.2
159.11668	22.2
161.09634	4.3
161.13229	8.6
163.11182	9.2
171.11647	0.8
173.13274	6.8
174.05414	1.0
174.06834	0.8
175.14801	70.4
176.11925	4.8
176.15189	1.1
177.12683	2.9
177.16386	3.7
189.09088	1.9
191.14278	1.2
191.17921	16.5
201.12593	0.9
201.16368	19.2
203.14287	6.9
219.10098	5.8
219.13850	5.4
219.17415	100.0
220.17758	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03394	0.8
67.05489	1.4
69.67579	6.5
69.67975	1.6
84.46586	0.7
91.05469	9.0
95.08559	1.0
103.03896	0.7
103.05452	1.2
105.07002	2.5
113.34462	0.8
115.05436	7.8
116.06195	2.2
117.07030	1.4
119.08539	1.5
121.10123	1.6
123.01266	0.7
126.52918	0.7
128.06206	7.3
129.06989	31.6
130.07657	0.9
131.04889	6.1
131.08551	31.8
133.10104	2.8
137.05942	3.3
141.06976	28.6
141.08049	1.7
143.04901	2.2
143.08566	1.9
144.05649	3.2
145.06422	7.3
145.10161	1.1
146.07266	3.6
147.07983	0.9
148.05124	1.1
157.06477	15.4
157.07736	0.5
158.07254	15.0
159.02821	1.2
159.04388	1.8
159.08032	20.8
159.11687	1.1
160.05154	3.4
161.06032	0.8
161.09599	3.2
161.13234	1.1
163.07542	1.9
165.06966	1.7
165.53384	0.7
169.06441	11.0
169.07722	1.0
170.07275	4.9
171.04362	1.4
173.05974	4.5
173.09575	1.4
174.06746	61.1
175.07532	8.6
176.08170	0.8
183.08017	1.1
186.06737	14.7
187.07445	1.5
188.08287	2.6
189.07121	5.3
189.09076	79.4
190.07771	13.7
190.09380	1.7
191.07092	1.4
191.08545	40.1
191.10594	6.4
192.08980	1.4
201.09085	36.1
201.16464	1.0
203.14288	1.8
219.08034	22.5
219.10147	100.0
219.17346	7.3
220.08456	1.1
220.10493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.53061	0.5
55.05494	0.6
57.03431	1.3
67.05489	1.4
69.07047	0.5
70.97140	1.1
70.97463	0.6
71.01340	0.9
72.83138	0.6
75.04450	0.8
79.05486	0.8
81.07040	1.2
83.08596	0.6
91.05476	6.8
93.07026	1.8
95.04959	0.8
95.08581	1.7
99.08035	0.6
103.03886	0.9
103.05453	1.9
103.26170	0.6
105.07004	2.8
107.08594	1.1
109.10159	1.1
115.05418	6.6
116.06207	2.5
116.21090	0.5
116.60650	0.6
117.07000	2.9
117.63963	0.5
119.08549	2.9
121.10124	2.2
128.06212	5.8
129.06993	29.2
130.07765	1.8
131.04930	5.5
131.08549	27.7
132.05692	0.6
133.10114	4.3
135.07970	0.8
137.05974	4.1
140.06166	0.6
141.06972	26.5
142.07782	0.6
143.04878	1.0
143.08542	1.5
144.05693	4.4
145.06468	5.7
145.10094	2.5
146.07237	3.6
147.11613	1.0
148.05110	0.8
151.07582	0.8
156.05724	0.8
157.06473	16.0
158.07260	15.3
159.02844	1.8
159.04398	2.8
159.08040	20.9
159.11673	2.4
160.05188	4.5
160.08514	0.6
161.05962	1.0
161.09575	3.2
161.13213	1.3
163.07500	1.9
163.10995	0.7
168.05708	0.7
169.06451	11.8
169.07710	1.1
170.07278	5.2
171.07976	1.1
173.05939	4.8
173.09615	1.1
173.13338	0.6
174.06737	56.8
175.07512	9.4
175.14726	0.7
176.19070	0.6
177.09103	0.7
185.06049	0.7
186.06729	13.7
186.08267	1.1
187.07597	1.4
188.08286	2.6
189.09079	75.1
190.07709	1.6
190.09413	1.5
191.06999	1.1
191.08551	4.1
191.10641	7.0
201.05469	1.6
201.09077	30.9
201.16347	1.9
202.09407	1.2
203.14310	2.0
219.10133	100.0
219.17354	11.3
220.10501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01856	0.9
55.05495	1.1
57.03427	1.2
61.02911	0.7
63.39272	0.5
67.05481	1.6
69.07066	0.9
69.80529	4.2
71.01325	1.0
71.04968	0.9
75.04465	1.3
79.05470	0.5
79.14406	0.5
81.03409	0.7
81.07042	1.8
85.02872	0.5
91.05468	7.4
93.06996	1.4
95.08577	1.9
103.03925	1.7
103.05446	2.6
105.06988	4.3
107.08569	1.6
115.05425	7.9
116.06229	2.2
117.06993	4.3
119.08576	2.3
119.89804	0.5
120.35394	0.6
121.10124	1.6
122.50410	0.6
125.09568	0.6
125.54285	0.6
128.06218	5.4
129.06979	29.9
130.04160	0.6
130.07756	2.0
131.03365	0.7
131.04927	5.7
131.08543	26.6
133.06392	0.6
133.10104	3.8
137.05946	2.7
141.06963	27.2
143.04910	2.2
143.08525	2.1
144.05666	5.2
145.06424	6.0
145.10088	2.3
146.06125	0.6
146.07253	3.4
148.05136	1.7
149.09589	0.7
156.05704	1.0
157.06459	15.1
158.07248	17.3
159.02849	3.9
159.04378	2.6
159.08031	21.0
159.11661	2.3
160.05182	4.9
161.05949	1.5
161.09579	3.0
161.13226	2.0
163.07504	2.5
163.11215	0.9
168.05670	0.9
169.06438	9.9
169.07689	1.3
170.07240	6.7
171.07912	0.8
173.05971	5.1
173.09691	1.5
174.06731	57.2
175.07478	9.8
175.08873	0.7
175.14685	0.6
176.04628	0.6
177.12691	0.7
183.08105	0.8
186.06711	12.6
186.08249	1.1
187.02441	0.7
187.07401	1.8
188.08287	3.6
189.09073	78.5
190.09366	2.8
191.06960	1.4
191.10648	6.9
201.05357	1.9
201.09071	31.1
201.16341	2.1
203.14296	3.1
219.10124	100.0
219.17355	17.1
220.10435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.02020	0.6
55.05504	1.3
61.02914	0.6
67.05485	1.6
69.07061	1.3
69.45771	6.8
70.14685	0.5
71.01333	1.6
71.04974	1.3
75.04466	1.3
79.05489	1.7
81.07037	2.7
83.04960	1.0
90.32973	0.6
91.05470	8.9
93.07030	2.1
95.04927	0.7
95.08585	1.9
98.21415	1.0
102.04671	0.6
103.03907	2.0
103.05450	2.1
105.07014	5.9
107.04910	1.3
107.08570	1.6
109.06497	0.8
109.10136	1.1
115.05449	7.9
116.06248	2.7
117.07013	2.6
119.08534	2.8
121.10130	2.3
125.09581	0.8
128.06207	5.9
129.06992	26.4
130.04065	0.6
130.07697	1.9
131.04887	6.0
131.08554	32.8
133.06410	0.7
133.10117	6.5
135.07947	0.7
135.11678	0.9
137.05960	2.5
141.06978	24.5
143.04871	1.6
143.08524	1.8
144.05685	4.2
145.06471	5.7
145.10127	2.4
146.06161	0.7
146.07237	3.3
147.04388	1.0
147.08015	0.7
147.11646	0.7
148.05110	1.2
155.06013	0.8
157.06470	15.3
158.07254	14.9
159.02867	4.2
159.04372	2.5
159.08044	22.4
159.11647	2.4
160.05180	4.3
160.07513	1.3
161.05855	1.1
161.09576	3.7
161.13249	1.0
163.07500	1.8
163.11156	0.8
168.05647	0.7
169.06453	11.4
169.07707	1.0
170.06024	0.7
170.07249	4.6
171.08026	1.1
173.05992	4.9
173.09558	1.9
173.13274	1.0
174.06746	56.0
175.07481	9.2
177.05440	0.6
177.09062	1.1
183.08122	0.8
185.05891	0.9
186.06731	14.6
187.07498	5.9
188.08238	3.5
189.09084	69.7
190.09622	0.9
191.06956	1.5
191.10596	6.4
201.05435	3.1
201.09085	27.4
201.16423	1.1
202.08606	1.2
203.14301	3.9
219.10135	100.0
219.17403	21.9
220.10497	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	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30245	0.7
55.01859	4.1
56.01151	0.7
56.76725	0.6
58.67143	0.6
59.42391	0.6
61.02916	18.2
63.44167	0.6
71.01344	30.8
71.35892	1.0
71.36234	1.4
75.04469	44.6
84.99250	1.0
87.04455	14.2
89.02386	8.4
94.57115	0.7
101.06023	1.2
103.03927	57.8
116.98634	0.7
117.26099	0.6
120.63980	0.6
131.03387	14.2
159.02869	100.0
160.03223	0.8
178.16261	0.9
187.02388	8.4
203.14333	1.9
219.04980	14.0
219.17424	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	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05485	1.7
57.03408	1.0
61.02888	1.4
67.05465	1.9
69.07039	1.2
69.63012	4.7
71.01318	3.0
71.04982	0.9
71.41998	0.7
75.04448	1.9
79.05465	1.4
79.07266	0.6
81.07034	3.1
85.06542	0.6
86.09656	0.7
89.02354	0.7
91.05462	8.7
93.07052	3.2
95.04938	0.9
95.08570	2.1
95.69141	0.7
97.10184	0.6
103.03908	3.3
103.05444	1.9
105.07018	4.3
107.04938	1.1
107.08543	2.1
109.10124	1.6
111.08096	0.8
115.05443	6.4
116.06196	1.9
117.07004	3.9
119.08601	3.3
121.10104	2.8
123.11674	1.0
128.06186	5.6
129.06084	1.3
129.06992	21.4
130.04149	0.9
130.07782	1.3
131.03368	1.3
131.04909	5.8
131.08540	26.5
132.05696	1.2
133.06462	0.8
133.10094	4.8
135.08049	1.6
137.05920	1.8
140.34360	0.6
141.06973	19.8
142.07425	0.6
143.04874	1.9
143.08476	2.2
144.05692	3.3
145.06465	6.7
145.10130	4.0
146.06102	0.7
146.07217	3.6
147.07985	2.2
147.11682	0.9
149.09526	1.1
153.06932	0.7
155.04858	0.7
155.06026	1.0
155.08640	0.8
157.06464	12.9
158.07274	11.1
159.02834	6.3
159.04356	2.7
159.08038	17.1
159.11620	2.8
160.05132	3.6
161.05902	1.1
161.09560	2.4
161.13211	2.0
163.07465	1.9
163.11148	1.8
163.14667	0.7
165.06850	1.0
169.06421	7.9
169.07664	0.9
170.07263	4.0
171.08015	0.8
173.05954	4.7
173.09601	0.8
173.13228	2.2
174.06743	45.5
175.07492	12.3
176.08173	0.8
182.36290	0.7
186.06726	10.7
187.07417	1.9
188.08244	2.3
189.07082	3.1
189.09074	60.8
190.07793	9.0
190.09375	1.0
191.07097	1.4
191.08487	28.2
191.10558	4.9
192.08937	1.1
201.05435	3.4
201.07138	1.6
201.09065	25.3
201.16333	2.9
203.14319	6.4
219.08028	15.6
219.10092	100.0
219.13667	3.2
219.17381	30.5
220.10371	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.0
59.04963	0.7
61.02918	18.7
61.78137	0.8
70.30094	3.9
71.01342	29.4
71.01740	1.6
75.04470	50.6
75.50335	0.9
75.90995	0.8
75.92857	0.7
77.10312	0.8
84.99258	1.5
85.02914	0.9
87.04456	17.5
88.96799	0.7
89.02376	7.4
101.06022	1.0
103.03929	56.0
131.03392	13.7
138.96770	0.8
146.06064	1.3
159.02864	100.0
159.41951	0.7
161.04347	0.8
187.02350	11.5
219.04962	14.1
219.07144	0.9
219.17401	5.0
233.30234	0.7
237.06818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83839	26.4
53.91096	22.2
60.05627	32.9
71.32040	61.7
88.41992	23.1
107.51529	24.0
119.17204	23.3
119.29842	28.7
165.88055	25.3
219.02632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
50.66565	1.5
55.05504	10.2
57.07054	1.5
62.06557	1.7
64.48553	1.5
67.05498	17.7
69.07054	18.1
69.63036	13.8
70.06543	1.6
79.05492	8.7
81.06599	2.6
81.07048	36.5
83.04961	8.9
83.08599	6.7
86.29567	1.5
89.06013	4.4
91.05467	11.2
93.07029	21.2
95.08597	50.3
97.10150	3.2
98.20737	3.3
101.06009	4.4
105.07020	44.9
107.08585	37.1
109.10148	48.4
111.04430	15.6
111.33173	1.4
111.53638	1.6
113.05897	1.8
119.08566	41.1
121.10130	32.5
123.11691	26.7
126.09066	1.8
127.09341	1.6
129.05460	6.9
133.10129	30.0
135.11667	13.4
136.38202	1.7
137.13206	3.9
147.10562	2.8
147.11671	44.5
148.07500	1.8
149.13275	3.6
155.07021	18.1
159.11676	5.3
161.09659	8.0
161.13240	41.1
171.11740	1.8
173.08081	21.5
173.13174	1.8
174.13934	2.0
175.11115	2.8
175.14774	12.3
189.16359	3.9
199.09734	2.4
199.11517	5.7
217.10614	24.4
217.12563	12.3
217.16298	8.6
217.19492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.96549	7.2
65.47559	1.4
70.06164	6.8
70.06585	3.3
83.04958	3.3
84.05300	4.6
84.61456	1.4
93.60962	1.4
95.31301	1.4
98.97570	100.0
103.03936	1.8
107.22102	1.5
111.04433	3.4
112.04750	6.4
116.98610	96.7
119.01897	3.7
119.45117	1.5
133.03429	2.4
134.99641	59.0
140.00198	5.4
146.99707	1.8
153.00648	10.6
156.07338	7.6
158.01230	14.4
158.99715	1.5
159.02901	1.8
172.01501	1.8
173.02867	3.6
174.08395	7.9
176.02303	4.9
176.05885	2.5
177.00705	25.9
191.03966	1.8
195.01686	14.3
195.03278	1.9
196.04451	2.2
200.02376	2.0
218.11082	5.9
218.21121	2.3
219.01965	2.9
219.07094	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
52.69652	0.3
55.05502	1.7
57.07069	3.1
60.92606	0.3
61.21043	0.3
65.77124	0.3
65.94522	0.3
67.05498	0.7
70.41821	1.5
71.08626	3.9
79.05472	0.4
83.04965	2.2
87.04434	0.4
89.06000	0.5
91.05492	0.8
93.07038	0.7
101.06010	1.2
105.07015	6.2
107.04949	0.6
111.04428	4.1
119.08556	1.2
121.06486	5.5
127.07600	0.4
128.06223	0.6
129.05464	1.2
129.06984	0.6
131.08560	0.4
133.06488	1.0
133.10123	6.2
135.08026	1.5
142.07765	0.5
143.08539	0.8
145.06448	1.1
146.07246	6.8
147.08029	8.4
147.11638	0.7
155.06996	5.0
159.08047	2.4
160.08804	2.7
161.09593	100.0
162.09929	2.7
173.08070	4.0
173.09590	1.4
174.10342	2.1
175.11162	19.4
185.10428	0.3
188.11862	0.5
199.09619	0.4
217.10742	3.8
217.15846	43.2
218.16151	1.7
221.13560	0.3
225.26111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1947
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03922	2.0
54.78931	1.4
55.05499	17.2
57.58923	1.3
61.51824	1.8
65.03885	2.0
67.05495	16.4
69.03384	2.1
69.07061	18.4
69.52560	1.3
69.97326	6.4
69.97746	2.4
71.08615	1.7
79.05466	5.4
81.07041	28.7
83.04509	1.6
83.04971	19.1
83.08604	4.3
85.06539	1.6
89.06007	6.3
91.05457	9.3
93.06503	1.5
93.07029	17.4
95.04938	1.8
95.08592	48.9
97.10139	2.9
98.98439	1.8
99.04379	2.1
101.05975	9.0
105.06318	2.3
105.07014	35.6
105.81308	1.5
107.07909	2.1
107.08580	34.3
109.10143	48.7
111.04423	28.3
113.05978	3.5
119.08566	30.6
121.10123	31.8
123.11683	20.6
127.07513	1.9
129.05460	11.4
133.10104	25.4
135.11678	16.1
137.13223	2.0
139.01518	2.3
145.10075	2.3
147.06436	1.6
147.11655	35.4
149.13211	2.9
155.07008	35.9
155.08286	2.0
159.11584	2.1
161.09576	5.2
161.13235	40.7
173.08073	32.8
175.14821	12.5
187.53647	1.6
189.16310	4.0
199.09702	3.3
199.11572	3.8
200.12851	2.1
217.10623	37.7
217.12479	4.7
217.15906	6.6
217.19478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1583
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
50.94958	0.3
52.12672	0.3
55.05499	1.9
57.07065	2.7
59.04981	0.3
67.05465	0.4
67.46857	0.3
69.07062	0.3
69.46968	3.1
71.08609	2.9
83.04958	2.8
89.06023	0.6
91.05458	0.6
93.07014	0.5
100.79882	0.3
101.05984	1.6
101.36073	0.3
105.07006	5.6
107.04917	0.5
111.04414	5.3
117.36909	0.3
119.08562	1.2
121.06477	3.6
127.07494	0.5
128.06224	0.7
129.05469	1.2
129.07025	0.5
131.08496	0.5
133.06465	1.2
133.10092	4.9
135.08034	1.3
142.07745	0.3
143.08514	1.1
145.06441	0.9
146.07224	6.5
147.08026	6.4
147.11635	0.5
155.07001	4.4
157.10066	0.7
159.08038	2.2
160.08810	1.8
161.09583	100.0
162.09975	2.0
171.09218	0.3
173.08067	4.6
173.09561	1.4
174.10358	1.7
175.11147	16.1
188.11957	0.8
199.09656	0.4
217.10719	4.0
217.15829	47.4
218.16260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1584
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
55.05497	0.9
57.07061	2.5
57.86573	0.3
67.05479	0.4
67.52995	0.3
70.74216	0.9
70.74573	0.4
71.08612	2.8
83.04967	0.6
91.05460	0.8
93.07029	0.5
101.05950	0.3
105.07011	5.0
107.04962	0.3
109.58685	0.3
111.04426	1.7
119.08549	0.8
121.06474	4.2
128.06258	0.5
131.08514	0.4
132.05681	0.5
133.06499	1.1
133.10115	5.0
135.08017	0.9
142.07729	0.7
143.08557	1.0
145.06470	0.6
146.07227	5.7
147.08017	6.6
154.13332	0.3
155.06979	1.5
157.10056	0.5
158.07333	0.3
159.08051	2.4
160.08812	2.0
161.09593	100.0
162.09940	1.8
165.13408	0.3
173.08072	1.1
173.09593	1.6
174.10353	0.9
175.11156	16.1
176.11407	0.5
181.28194	0.3
188.11992	0.4
217.10689	1.3
217.15846	37.7
218.16223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.3
55.01843	3.9
55.05500	76.8
57.03430	4.0
57.06835	2.1
57.07065	26.2
59.04967	2.7
60.28728	1.5
67.05489	15.7
69.03418	3.9
69.07056	50.1
70.06580	14.4
70.54658	1.5
70.69584	4.1
70.69983	3.0
71.04985	18.7
71.08620	13.6
72.04504	1.9
72.08120	5.9
73.02885	2.5
73.06543	3.2
76.07809	1.6
76.30260	2.0
79.05476	10.5
81.03397	5.4
81.06590	2.7
81.07036	40.6
82.06551	1.8
83.04964	31.7
83.08600	74.9
84.08125	5.5
85.06548	10.9
85.10157	2.9
86.06028	9.9
86.09657	2.1
87.04450	3.5
89.02339	2.6
89.06002	7.6
91.05466	4.5
93.07026	23.9
95.08579	30.7
97.06510	24.0
97.07104	3.1
97.10148	49.0
97.10786	2.3
98.98436	2.5
99.04427	5.0
99.08071	4.5
100.07600	11.0
101.06000	14.7
105.07005	4.0
107.08572	31.3
109.10112	9.9
110.06003	2.9
111.04417	54.5
111.08070	19.4
111.11652	2.5
113.06001	3.2
114.09129	6.3
115.07549	4.3
115.11169	1.6
119.08558	2.1
121.10114	24.6
123.11647	7.7
125.09612	19.1
126.09128	31.8
127.07498	6.7
128.10693	5.4
129.05457	16.5
129.06990	2.1
129.09088	3.5
135.11655	6.1
137.05898	1.8
137.13245	1.9
139.01747	2.9
139.11122	6.2
139.14774	3.5
140.07291	1.8
143.10620	2.8
145.10114	2.5
154.08658	2.3
155.06998	57.5
156.17471	2.3
157.10106	1.5
159.11653	2.0
161.05934	2.0
161.09561	7.2
162.03366	4.0
163.14787	87.4
164.15160	1.8
168.10141	1.7
170.11702	2.3
173.08067	52.7
173.09576	2.5
175.11124	2.1
180.10120	3.7
181.15840	47.4
193.73199	1.5
198.07512	2.0
198.11218	57.3
198.18468	25.6
199.09625	4.6
199.11490	2.6
199.14833	1.5
199.16920	6.4
216.12273	100.0
216.19580	10.8
217.08594	5.1
217.10632	43.0
217.12428	3.8
217.15823	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	215.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60242	0.3
52.39105	0.4
52.73360	0.3
53.03920	0.4
55.05505	2.2
57.03428	0.3
57.07050	1.4
64.67795	0.3
67.05493	3.8
69.07053	4.5
70.06582	2.0
70.51414	1.0
71.04984	2.1
74.09715	2.1
76.28788	0.3
79.05482	3.5
81.03440	0.7
81.06598	0.4
81.07044	5.9
83.04956	0.6
83.08593	1.2
84.08102	1.0
88.02197	0.5
91.05470	3.9
93.07023	6.1
95.04917	0.4
95.08596	8.5
98.98460	2.5
100.07593	0.4
103.05470	0.4
105.07018	9.5
107.08575	11.3
109.10151	4.7
111.04414	0.6
115.05431	0.5
117.06996	7.6
119.07717	0.7
119.08562	13.5
121.10130	7.1
123.11683	0.8
126.09132	5.6
128.06203	0.9
129.05466	0.7
129.06950	2.4
130.07750	1.9
131.08548	16.3
133.10110	10.7
135.11664	1.4
139.01530	2.8
142.07780	0.5
143.08545	1.9
144.09340	3.5
145.10103	33.5
146.10564	1.1
147.11679	3.9
150.96844	0.6
155.08427	0.5
157.10135	2.7
158.07224	0.4
158.10910	1.8
159.08154	0.7
159.11673	38.8
160.12262	1.3
161.13225	0.7
170.08055	0.4
171.11670	2.5
172.12411	2.0
173.09737	1.7
173.13232	18.8
174.13712	0.5
185.13248	1.4
186.13950	1.2
187.14801	4.5
197.13179	0.5
198.11229	7.3
200.15616	1.8
213.16284	0.4
215.14375	3.7
215.17915	100.0
216.12279	13.7
216.14073	0.3
216.18245	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	216.0863
Annotation	Succinylproline
Peak:m/z	Relative Intensity
52.46400	0.4
55.01855	0.6
55.05505	1.5
56.96555	4.3
57.03421	1.4
57.07076	0.9
61.02918	2.3
61.91713	0.3
67.05499	1.4
68.99786	0.5
69.03418	0.9
69.46232	3.9
70.06578	2.4
70.98106	0.6
71.04968	0.7
72.08144	1.4
73.02900	1.8
81.03416	0.6
82.06580	0.9
83.04974	1.8
84.08130	100.0
85.02893	1.3
85.08453	0.6
86.06052	0.5
87.00799	2.7
88.99146	0.6
95.04935	0.4
96.08131	0.7
97.02886	0.9
98.97585	1.4
99.04424	0.4
101.00851	1.1
102.00954	0.3
111.04423	1.6
113.02396	0.4
113.05970	0.6
114.09166	1.5
116.07073	0.7
116.98628	1.2
119.01884	4.6
120.02060	0.9
121.01682	0.7
121.03410	0.5
121.06463	0.4
126.09154	2.2
127.02487	0.4
127.03883	0.5
128.07060	46.1
130.08598	3.8
131.01836	0.6
134.99634	0.8
137.02933	1.1
143.01883	0.6
145.03470	1.0
152.07050	11.6
154.46638	0.4
155.06989	2.1
156.06543	2.7
158.08081	0.6
160.97575	0.9
161.02908	0.8
170.08101	54.3
173.02972	0.6
173.08069	1.2
179.03964	0.8
180.06496	2.4
185.02921	0.7
189.02402	0.6
193.00206	1.4
198.07587	14.2
198.11215	3.0
199.07970	0.4
211.01093	0.7
216.04816	1.2
216.08699	9.8
216.12242	6.1
217.10666	0.8
230.08746	0.5
234.06290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1428
Annotation	LMPR0103220001
Peak:m/z	Relative Intensity
55.05518	2.9
57.03417	1.3
57.07068	12.2
59.04996	0.7
61.15182	0.5
61.57426	0.6
67.05505	3.8
69.03406	1.0
69.07049	3.4
71.04967	2.7
73.06547	0.9
74.09700	1.3
78.29555	0.6
79.05459	1.9
81.07032	2.4
83.08604	2.0
85.06544	1.1
89.06028	1.7
91.05476	3.2
93.07005	1.4
95.08596	2.3
97.10139	2.3
98.98443	3.1
105.07019	4.6
107.08572	3.6
109.06523	0.7
109.10142	12.3
115.05437	1.7
117.06969	3.1
119.08533	1.9
121.06487	5.1
123.08006	0.6
126.09112	0.6
127.11192	8.9
128.06152	1.2
129.06982	2.2
130.07771	1.2
131.08537	5.2
133.10072	1.0
135.08063	0.7
139.01599	2.7
141.06955	2.5
143.08537	2.1
144.05679	3.3
144.09271	1.4
145.06500	5.0
145.10101	19.0
147.08006	0.8
150.96913	3.0
153.06995	1.8
154.07748	1.6
155.08536	12.0
156.09145	0.7
157.06479	1.4
157.10091	2.4
158.06007	1.2
158.07257	20.4
158.10846	1.1
159.08032	31.3
159.11668	10.4
160.08755	2.4
161.02374	1.5
167.08545	0.6
169.10176	3.4
171.08020	10.9
172.08813	15.3
173.02309	3.9
173.09601	100.0
173.13118	2.0
174.09988	1.7
183.09131	1.4
185.09595	9.2
186.10378	39.6
187.07599	1.9
187.11154	39.9
187.14738	2.1
191.97083	0.9
197.09546	0.8
197.13193	2.1
198.11174	2.0
200.11940	13.4
215.06944	4.4
215.10770	4.0
215.14291	78.4
215.17873	4.3
216.12285	3.5
216.14636	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	215.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01862	4.3
55.05503	4.9
57.03430	5.6
65.03940	0.7
67.05495	21.9
69.70917	3.2
69.71336	1.4
71.04986	0.7
71.61098	0.5
73.02919	0.7
75.04454	0.7
79.05481	14.1
81.03403	1.0
81.07044	100.0
82.07369	1.0
85.02885	0.7
86.09682	1.3
90.94847	0.7
91.05450	0.8
93.05497	0.8
93.07017	5.0
95.04949	4.9
95.08593	87.3
96.08929	1.4
97.06499	0.8
98.97552	0.7
98.98449	1.0
99.08072	2.3
105.06998	1.7
107.08569	0.7
116.41778	0.7
116.98631	0.8
123.08051	43.9
125.09655	0.7
129.05435	2.7
131.25027	0.6
132.49814	0.6
132.95811	1.6
139.01558	1.7
141.09085	12.1
150.96880	5.6
169.07567	1.7
173.98500	0.6
191.97118	2.3
197.09995	1.0
197.11703	11.1
209.98209	1.3
215.06738	0.7
215.10617	0.7
215.12602	1.3
216.12314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01862	4.3
55.05503	4.9
57.03430	5.6
65.03940	0.7
67.05495	21.9
69.70917	3.2
69.71336	1.4
71.04986	0.7
71.61098	0.5
73.02919	0.7
75.04454	0.7
79.05481	14.1
81.03403	1.0
81.07044	100.0
82.07369	1.0
85.02885	0.7
86.09682	1.3
90.94847	0.7
91.05450	0.8
93.05497	0.8
93.07017	5.0
95.04949	4.9
95.08593	87.3
96.08929	1.4
97.06499	0.8
98.97552	0.7
98.98449	1.0
99.08072	2.3
105.06998	1.7
107.08569	0.7
116.41778	0.7
116.98631	0.8
123.08051	43.9
125.09655	0.7
129.05435	2.7
131.25027	0.6
132.49814	0.6
132.95811	1.6
139.01558	1.7
141.09085	12.1
150.96880	5.6
169.07567	1.7
173.98500	0.6
191.97118	2.3
197.09995	1.0
197.11703	11.1
209.98209	1.3
215.06738	0.7
215.10617	0.7
215.12602	1.3
216.12314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1069
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
50.29449	0.6
53.03933	1.0
55.01845	0.8
55.05489	1.1
55.93527	0.8
56.96545	1.2
61.22118	0.6
65.03881	0.7
67.05500	3.8
68.05015	1.5
68.99760	0.7
69.03415	4.0
69.07066	4.3
70.06570	6.0
70.95839	1.1
71.28385	1.3
72.08132	0.7
72.93774	4.9
79.05463	3.1
80.04987	2.4
81.03401	0.8
81.07044	2.7
82.06549	1.6
82.76376	0.7
83.04961	1.0
84.04488	1.1
84.08125	3.0
85.02892	0.9
86.09692	0.7
90.94804	4.3
91.05470	4.3
93.05776	1.1
93.07042	5.4
94.06554	18.2
95.04949	6.6
95.08594	0.9
96.08082	0.8
97.06501	2.0
98.06043	1.3
98.97550	0.8
98.98457	0.9
100.07583	0.9
102.05520	1.4
105.07021	0.8
107.04941	1.8
108.04446	1.9
108.05275	2.0
108.08099	12.4
108.08820	1.2
108.95833	1.0
109.06500	5.5
110.06017	12.0
111.08038	1.8
112.03943	1.7
112.07568	3.1
116.98563	0.9
118.06545	0.7
119.04891	1.3
121.06518	1.1
122.06004	67.9
123.04421	5.7
123.06793	0.8
124.07577	2.5
124.11253	1.0
126.09105	1.2
132.95808	7.7
134.06049	0.7
136.07549	36.8
137.05940	2.6
138.09132	1.3
139.01518	1.0
139.07515	2.5
140.07033	100.0
141.00021	2.8
141.05005	1.5
147.04379	0.9
148.60228	0.7
149.96083	3.0
150.96857	21.2
151.07573	0.9
154.08589	31.5
155.06981	1.4
155.08948	0.7
156.07295	1.3
158.02699	1.9
164.04234	1.3
164.07062	7.2
165.05447	2.9
167.06981	1.3
167.56071	0.9
167.97128	3.8
168.06401	1.3
168.10165	3.8
168.97902	1.5
169.07394	1.2
169.08783	3.4
170.11742	8.2
171.87164	0.7
172.97665	1.2
173.98396	0.8
178.05032	0.7
179.07005	1.1
182.08101	21.9
186.10229	1.4
190.98749	0.6
191.97133	7.2
196.06938	1.3
196.09648	18.6
197.08057	1.8
209.98228	3.9
214.10715	83.3
214.21562	1.3
214.98723	1.0
215.11053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05547	11.9
52.90133	10.9
53.17272	9.6
67.02529	10.8
71.78288	19.7
77.13860	10.4
122.53133	10.4
131.63026	10.5
133.66481	13.6
214.04718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24621	0.3
51.00544	0.3
53.03952	0.4
55.01864	3.2
55.05506	1.5
56.05028	0.7
56.96556	100.0
57.03429	5.6
57.07093	0.4
58.06591	0.5
58.96177	0.4
58.99856	0.9
59.04988	0.4
60.04502	0.5
60.05618	0.4
60.95842	1.1
61.02919	10.8
62.03273	0.4
67.05495	0.6
68.05023	1.2
69.03423	6.8
69.07057	5.9
69.94926	1.2
69.95343	1.1
70.06583	27.2
70.98108	9.7
70.99859	0.4
71.01338	1.0
71.04969	1.2
71.06908	1.8
71.95253	2.8
72.08141	3.4
72.93795	0.7
72.96050	1.3
73.02909	10.2
73.06549	1.1
74.03220	0.5
74.97594	3.5
75.04458	0.6
76.14789	0.3
77.00880	1.6
78.00949	0.4
79.05490	1.0
81.03412	2.5
81.05816	0.3
81.07052	0.9
81.99920	0.4
82.06573	1.4
82.99374	0.5
82.99873	1.3
83.00779	0.7
83.01296	0.4
83.04979	0.7
83.06089	0.5
84.04514	1.3
84.08129	6.9
84.96023	5.3
85.02897	10.1
85.06535	0.5
86.03234	1.2
86.09693	86.5
87.04459	1.2
87.10039	0.8
88.99148	7.4
89.00812	0.7
90.01574	0.9
90.94835	0.4
91.03902	0.4
92.01268	0.8
92.98631	0.7
93.07018	0.6
94.06568	0.6
95.00750	0.6
95.01343	1.0
95.04963	1.6
95.06055	0.7
95.08578	0.4
96.01547	0.9
96.04485	0.5
96.08122	0.9
96.99608	0.5
97.00459	0.3
97.02873	6.8
97.03447	0.6
97.06514	9.2
97.07593	0.8
97.99180	1.2
98.01290	1.2
98.03206	0.6
98.06052	1.1
98.97565	33.8
99.04446	1.8
99.21915	0.4
99.97903	1.7
100.02470	1.8
100.97217	0.4
100.99136	5.8
101.00851	10.6
102.02329	0.5
102.96950	1.7
103.00576	0.8
103.02373	0.4
104.01267	1.1
105.00353	0.8
105.02089	0.7
106.01033	1.5
107.00185	3.4
107.04941	1.9
108.04507	0.4
109.02877	2.5
109.03487	0.4
109.06422	0.4
110.01276	3.0
110.01945	0.4
110.06045	0.6
110.07150	1.5
110.51424	0.9
110.64007	0.4
110.97542	5.2
111.00215	0.4
111.02066	0.6
111.02894	0.5
111.05569	0.5
112.01015	0.4
112.02468	0.6
112.03938	0.4
112.07602	2.9
112.08778	0.7
112.99117	1.0
113.00877	0.5
113.01736	0.7
113.02415	0.7
113.03471	0.5
113.09120	0.4
114.04005	0.7
114.09145	2.2
115.00616	0.5
115.01552	0.5
115.02409	1.1
115.03925	0.8
115.97867	0.6
116.00244	0.6
116.01279	0.7
116.07085	1.4
116.98605	38.7
117.01955	1.3
117.98962	1.4
118.01009	1.1
118.03506	7.7
119.00173	7.1
119.01900	97.8
119.51969	1.1
120.00758	0.4
120.01960	3.1
120.03389	0.8
120.97948	1.3
121.01601	2.7
121.02341	0.5
121.06505	0.8
122.02287	0.6
122.06022	0.7
123.01334	0.5
123.04417	0.9
124.00882	0.6
124.02557	0.5
124.99943	0.5
125.01783	1.4
125.02591	0.5
126.00748	0.8
126.05546	0.4
127.00666	0.6
127.01524	1.0
127.03891	5.0
127.08678	0.4
128.02296	5.5
128.04312	0.7
128.07072	0.4
128.52452	1.1
128.98581	10.6
129.02161	0.6
129.04002	0.5
129.10242	0.4
129.13812	0.4
129.98860	0.4
130.01912	0.6
130.03490	3.2
130.08609	1.7
130.52528	0.6
130.93285	0.8
131.00223	3.0
131.01869	8.1
131.05579	0.6
131.97423	0.4
132.00725	1.3
132.01952	0.7
132.05057	0.9
132.95813	0.9
132.97839	0.5
133.01541	2.5
133.03456	4.0
134.02257	0.6
134.03609	0.9
134.99640	31.7
135.01288	0.9
135.03117	1.0
135.04369	0.9
135.99995	1.2
136.04524	2.7
136.07564	0.5
137.02933	48.8
138.03078	1.2
138.09105	0.7
138.98888	0.4
139.01489	1.1
139.03387	0.5
140.00230	1.4
140.02290	0.8
140.03241	0.5
140.07071	1.0
140.98564	0.6
141.01253	0.8
141.05084	0.4
142.01868	1.9
142.03505	3.6
142.96513	0.9
143.00125	1.4
143.01826	2.9
143.71992	0.4
144.05043	2.6
144.08655	1.3
144.98065	3.7
144.99792	1.0
145.01598	2.5
145.03459	3.5
145.04988	0.8
146.02261	0.9
146.99628	16.2
147.01283	1.3
147.03223	1.5
147.99994	0.6
148.01987	1.0
149.01195	6.8
149.02885	3.9
149.05946	1.2
150.96872	2.3
150.98976	0.9
151.02608	1.0
151.04544	1.1
152.00317	0.8
152.02260	0.8
152.04590	0.5
152.05725	0.4
153.00623	5.3
153.51445	0.7
154.01894	2.4
154.03377	1.4
154.96481	0.7
155.00084	0.5
155.01787	0.8
155.05533	1.1
155.08031	0.5
156.01817	0.7
156.03384	0.8
156.05026	0.8
156.10188	0.5
157.03519	0.7
157.52957	0.6
158.01228	1.8
158.99661	3.2
159.01302	1.1
160.00058	0.7
160.03006	0.7
160.04570	1.4
160.06400	1.4
160.97617	0.6
161.01207	3.0
161.02927	9.1
161.52864	0.4
162.01762	2.6
162.03122	1.0
162.09750	2.7
162.51924	1.0
162.99129	8.7
163.00629	0.8
163.01295	0.4
163.02731	5.3
163.04451	1.5
165.00699	13.3
166.02902	1.0
167.02211	1.5
167.06976	2.5
168.01724	1.5
168.05011	0.6
168.08635	2.5
168.10043	0.8
168.11322	1.0
168.99866	1.0
169.02536	1.1
170.01221	0.6
170.03206	0.4
170.99696	1.8
171.01164	0.5
172.01457	0.7
172.02776	4.3
172.04517	3.8
172.06085	0.7
172.08160	0.7
172.94328	0.5
172.97559	7.3
173.01225	3.8
173.02956	6.2
173.06583	10.7
174.01746	0.6
174.03120	0.5
174.99089	1.7
175.02544	1.0
175.04524	1.0
177.00711	5.5
177.02361	3.0
177.04030	0.9
178.01089	0.6
178.02925	0.5
178.07382	1.8
179.02202	0.6
181.00137	1.6
181.05028	0.4
182.03195	0.6
183.01753	4.6
184.02960	1.6
184.04791	0.4
184.08249	0.6
185.01476	0.5
185.02879	1.9
186.04404	3.9
186.09735	60.3
186.99164	0.7
187.00865	1.7
187.04466	1.5
187.09895	1.3
188.02322	1.4
188.05891	0.9
188.97072	1.0
189.00694	3.1
189.02425	1.1
189.04253	0.4
190.01102	0.8
190.03879	4.5
190.05498	0.7
190.07387	2.0
190.09125	0.5
190.95436	2.2
190.98608	48.2
191.02249	6.9
191.03990	8.4
191.07613	14.0
191.97139	1.1
191.98930	0.8
193.00247	1.7
193.04221	0.9
193.54230	1.3
195.01695	0.8
195.03310	0.7
195.99097	0.6
196.02824	1.1
196.04517	0.8
196.08163	2.1
196.12747	0.7
196.99364	0.5
197.01118	0.6
197.06621	3.8
197.10365	1.1
197.14049	0.6
197.16504	0.5
198.02893	0.6
200.04085	1.7
201.00786	1.9
201.02362	0.8
202.54770	1.4
203.04027	1.5
204.05417	1.6
204.10791	28.7
204.52969	0.8
205.00154	1.6
205.03630	0.5
205.10994	0.5
206.03333	0.7
206.98056	0.7
207.01753	1.5
208.04941	3.6
208.96440	1.4
208.99672	25.9
209.03232	1.7
209.05199	0.6
209.11353	3.5
209.98207	1.0
213.53557	0.6
214.00542	2.6
214.03853	18.7
214.05792	3.3
214.07449	2.5
214.09184	36.1
214.14195	0.9
215.00436	2.3
215.04150	1.0
215.07608	5.8
215.09453	1.0
215.15083	0.7
217.00093	0.7
219.01689	2.0
219.03581	0.5
221.05023	0.9
223.01181	1.2
226.01474	0.6
227.00635	1.8
227.04141	0.5
227.12334	0.6
232.01257	1.1
232.05019	14.6
232.10281	89.8
232.96408	2.0
232.99611	1.5
233.03293	0.7
233.08481	3.1
233.10818	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	214.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01867	2.2
55.05505	6.1
56.05035	0.7
56.05844	1.1
56.96558	100.0
57.03431	4.4
57.07067	0.8
57.67345	0.5
57.98166	0.6
58.06596	0.7
58.96169	0.6
59.05001	0.6
60.04527	0.5
60.05649	0.6
60.43885	0.4
60.95854	1.2
61.02920	5.8
65.03932	0.5
67.05502	2.1
68.05018	1.1
68.99785	1.0
69.03423	8.9
69.07053	2.9
70.02961	0.8
70.03754	0.5
70.06583	23.9
70.93478	1.1
70.93841	1.1
70.98120	4.1
71.01375	0.8
71.04987	1.7
71.06922	1.2
71.95260	2.5
72.08144	5.1
72.93790	1.9
72.96046	1.2
73.02907	8.7
73.06544	5.4
74.03222	0.5
74.06882	0.7
74.97594	4.4
74.97925	0.4
78.04715	0.7
79.05486	3.1
81.03409	3.9
81.07056	1.4
82.06580	2.6
83.00785	0.8
83.01317	0.7
83.04975	1.0
83.06102	0.9
83.08623	0.7
84.01539	0.6
84.04513	2.3
84.08126	8.8
84.96027	6.7
85.02893	11.3
85.03381	0.8
86.09714	3.8
87.04465	1.5
88.07608	0.6
88.99147	3.7
89.00767	0.7
90.01579	0.9
90.94838	2.3
91.05486	2.1
92.98649	0.8
93.07039	0.7
94.06575	1.6
95.01336	1.5
95.04960	3.2
95.06093	0.6
95.08583	0.5
96.04471	0.5
96.08125	0.9
97.02875	11.3
97.06522	1.3
97.09375	0.4
97.96828	0.6
97.99203	1.2
98.01304	1.2
98.06057	1.8
98.97570	35.3
99.04478	2.1
99.97931	1.6
100.03995	1.0
100.99137	6.3
101.00900	2.2
102.02252	0.7
102.92587	0.7
102.97009	2.3
104.01313	0.6
104.03159	0.7
105.07055	1.1
106.01021	0.7
107.00208	1.2
107.01795	0.6
107.04957	3.0
108.05264	0.8
109.02845	3.0
109.06549	0.7
110.01299	2.1
110.03107	0.7
110.06068	1.8
110.07159	2.8
110.97535	4.2
111.04515	0.7
111.53642	0.8
112.00922	0.6
112.07587	5.2
112.08749	0.8
112.99137	1.4
113.02449	0.7
113.03608	0.9
113.96391	0.6
114.05534	0.6
114.09193	2.3
115.02409	0.9
115.97813	1.1
116.00244	1.3
116.01275	0.4
116.07127	1.8
116.98608	41.1
117.02025	0.9
117.03855	0.6
117.98984	0.6
118.03610	1.2
118.81374	0.5
119.00166	11.4
119.01897	19.7
119.02740	1.0
119.04968	0.8
120.02000	1.3
120.03341	0.5
120.74058	0.5
120.97947	1.5
121.01648	2.3
121.06468	2.8
122.06023	4.5
122.51662	1.0
123.02052	0.7
123.04429	4.0
124.03967	1.6
124.04784	0.6
124.07590	0.7
124.99995	0.8
126.05486	0.9
126.09200	0.8
127.03939	2.6
128.02293	4.3
128.04259	0.6
128.07130	0.9
128.98592	11.0
129.10266	1.7
130.01981	0.7
130.08621	7.7
130.52560	0.9
131.00171	4.5
131.01892	1.5
131.97449	1.1
132.00719	1.2
132.95877	1.7
132.97920	0.6
133.01662	1.4
133.03474	1.5
133.98865	0.7
134.03671	1.9
134.06021	0.7
134.52827	0.6
134.99640	34.8
135.03505	0.9
135.04385	4.0
135.99995	1.1
136.05132	0.9
136.06209	4.8
136.07643	1.2
137.01221	1.9
137.02921	8.4
137.04662	0.9
137.05910	3.4
138.05527	1.0
138.06546	0.6
138.98911	0.6
139.01590	0.9
139.02625	0.6
139.03935	1.1
140.00214	1.6
140.02321	1.0
140.07037	5.4
141.00084	1.6
141.07413	2.3
142.01790	1.5
142.03679	0.6
142.08670	1.7
143.00212	1.5
143.01959	1.8
143.53331	0.6
144.03304	1.2
144.98062	4.3
145.01700	2.8
145.03491	2.1
145.04979	1.1
145.53156	0.7
146.99632	20.7
147.03262	3.0
147.04344	0.7
147.55859	0.8
148.00056	0.7
148.02005	0.7
148.03859	1.7
148.05814	0.7
149.01205	10.3
149.02425	0.7
149.02916	0.7
149.05856	5.0
149.96118	1.2
150.00815	0.6
150.09052	0.6
150.96858	7.2
150.98981	1.1
151.03435	2.2
152.04671	6.2
152.05724	0.7
152.53873	0.6
153.00679	6.9
154.01842	1.6
154.03879	1.1
154.08673	0.9
155.01979	0.8
155.04631	19.4
155.08076	0.9
155.09149	0.9
155.54800	14.0
155.56012	0.9
156.03442	0.7
156.04800	2.5
156.06407	0.6
157.03372	1.6
157.04384	1.5
157.53140	1.3
158.01314	2.1
158.02623	1.0
158.06573	0.9
158.99652	8.2
159.01036	0.8
159.03050	0.8
160.00311	1.5
160.04591	0.6
160.06441	1.6
160.09708	0.7
161.01195	4.8
161.02905	4.8
162.01756	1.6
162.99124	13.0
163.02844	4.5
164.05190	6.9
164.52646	0.7
164.55339	3.8
165.00697	15.2
165.04361	1.5
165.05544	0.7
166.03860	1.0
166.06224	3.1
166.08669	1.0
166.54114	0.8
166.55516	3.0
167.02266	2.6
167.05655	1.7
167.07004	10.0
167.08321	0.8
167.55696	0.6
167.97209	1.9
168.03548	1.0
168.06482	1.3
168.10210	0.6
168.11406	0.8
168.97931	0.7
169.04140	1.0
170.01277	1.1
170.04817	0.7
170.11826	0.6
170.99738	1.2
171.03198	0.8
171.98911	0.7
172.02785	3.0
172.03993	5.8
172.06329	0.7
172.54063	1.0
172.95284	1.7
172.97557	5.3
173.01285	2.3
173.03033	2.2
173.06590	11.7
173.98503	0.5
174.04445	2.2
174.99138	0.8
175.02777	1.3
175.04535	1.0
175.11870	0.7
176.52657	0.6
177.00685	11.2
177.05754	0.8
178.01115	1.2
178.05136	0.7
178.07503	1.8
179.00240	1.5
179.02330	1.1
181.00119	2.5
181.04955	0.9
181.54309	1.5
182.53487	0.7
183.01788	6.4
183.54730	1.3
184.04234	0.6
185.03000	0.8
185.04674	0.6
186.00732	0.9
186.04364	3.3
186.09966	1.4
188.02362	1.4
188.05986	1.1
189.00751	1.9
189.02444	0.7
189.04359	1.1
189.06151	1.3
190.01131	0.8
190.03871	3.9
190.05614	0.6
190.07365	2.4
190.96579	1.4
190.98610	32.7
191.02208	5.6
191.03969	3.5
191.05893	1.1
191.07608	18.9
191.97256	1.7
191.99159	0.8
192.07875	0.8
193.00224	1.3
193.04373	6.0
193.54395	1.2
195.01839	1.3
195.99234	0.8
196.02945	2.3
196.06662	0.8
196.09770	1.0
197.01141	2.7
197.10376	1.2
197.16544	1.0
200.02269	0.9
201.00702	1.0
202.05252	4.5
202.52025	0.7
202.54800	2.5
204.05402	2.7
204.10933	0.6
205.00192	1.9
205.03801	0.6
205.05556	0.9
206.00418	0.7
208.04901	3.0
208.96626	1.2
208.99672	28.0
209.03322	1.5
209.98303	2.0
211.52303	2.4
212.02451	0.7
213.00798	0.9
213.55943	1.9
214.00380	2.2
214.03915	13.1
214.05841	2.3
214.07657	6.5
214.10751	4.5
214.14214	3.0
214.16039	0.6
214.57991	0.8
215.02336	0.8
217.00250	0.6
219.01831	2.2
223.01181	1.2
226.01469	8.1
226.03520	0.7
227.00891	2.0
232.01331	1.7
232.04927	11.1
232.08331	4.7
232.10423	1.7
232.96420	0.9
232.99811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.30079	1.2
53.03933	2.5
55.01852	4.9
55.05502	38.3
57.03415	4.6
57.07057	10.1
59.04985	6.7
62.91022	1.2
67.05496	21.4
68.99757	1.4
69.03400	5.3
69.07058	91.8
70.06562	1.6
71.04987	17.9
71.08601	2.3
72.08143	1.6
73.06542	2.3
77.31549	1.1
79.05478	14.8
81.03386	2.1
81.07047	57.1
82.07389	1.2
83.04972	11.1
83.08605	21.2
84.08116	1.9
85.02881	3.1
85.06530	40.9
88.07607	4.6
91.05456	5.4
93.07032	35.0
95.04935	3.2
95.08593	89.7
97.06522	9.5
97.10161	21.4
99.04446	1.7
99.08078	28.1
105.06998	5.5
107.04926	4.0
107.08582	58.0
109.02837	2.7
109.06509	2.1
109.09393	2.1
109.10143	39.5
111.04440	2.3
111.08076	7.6
111.11702	10.8
113.09632	15.5
113.61714	1.5
117.53534	1.4
119.08553	5.4
121.06484	1.5
121.10126	71.5
123.04433	2.2
123.11687	13.8
125.05949	2.4
125.09595	10.2
125.13193	1.5
127.03867	1.7
127.11178	3.7
129.06956	2.1
131.08516	1.3
133.10112	1.8
135.04349	1.7
135.11673	43.2
137.13240	33.5
139.11163	14.3
140.04694	2.3
140.07042	1.8
141.07442	2.4
142.07721	2.3
143.08559	2.5
144.57484	1.4
145.10132	1.4
149.13232	11.7
151.03873	3.8
151.07520	1.5
151.14786	5.8
153.05409	1.8
153.12740	12.6
154.06177	4.0
155.07028	1.8
156.09319	1.6
157.06438	1.5
157.10141	7.5
158.54688	1.3
163.03874	2.1
163.07396	1.5
167.07030	4.8
167.08861	5.2
169.05020	1.3
171.08035	1.4
171.11565	2.8
177.09099	1.8
177.16364	100.0
185.05843	2.2
185.10005	15.5
195.06465	15.1
195.08089	2.5
195.10069	2.7
195.11745	1.4
195.13802	1.7
195.17416	22.9
198.10374	1.4
213.05473	4.7
213.09351	17.7
213.12695	5.6
213.16301	9.8
213.18478	14.2
214.10933	1.5
228.75119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01859	5.0
55.05502	45.9
57.03425	6.4
57.07082	9.4
59.04985	6.3
66.62833	1.6
67.05495	24.6
69.03416	7.9
69.07059	100.0
70.06598	2.8
70.23183	7.8
71.04989	18.5
71.08617	2.3
71.38157	1.5
72.08125	2.1
73.06516	2.1
79.05486	13.6
81.03420	1.7
81.07044	64.1
82.07346	2.1
83.04984	9.5
83.08607	20.7
85.02895	3.9
85.06534	40.6
85.31789	1.6
88.07615	7.2
89.13170	1.6
90.21275	1.5
91.05454	8.4
93.07035	33.9
95.04962	3.4
95.08595	83.4
96.08963	2.1
97.02885	2.4
97.06498	10.9
97.10163	21.2
99.04466	2.1
99.08086	25.5
105.07014	6.8
107.04945	5.2
107.08579	61.6
109.06505	3.6
109.10140	39.4
111.08064	6.7
111.11700	11.6
113.09634	12.8
119.08560	4.3
121.06578	1.6
121.10131	69.1
123.08004	2.7
123.11688	12.3
125.09599	13.0
125.13257	2.6
127.11208	2.7
128.06226	1.8
129.06984	4.4
131.08546	2.2
133.10098	2.9
135.08025	2.1
135.11678	40.9
137.13245	33.5
139.07500	2.6
139.11177	14.1
140.04692	2.4
141.07304	3.0
143.08499	4.2
145.06415	1.9
149.13263	11.7
151.03905	2.4
151.14824	6.3
153.06937	1.9
153.09023	2.1
153.12721	11.6
154.06200	4.7
155.07028	3.9
157.06467	3.4
157.10115	9.6
159.11621	1.7
163.07576	2.5
165.07066	1.8
167.07018	6.6
167.08942	9.1
170.07066	1.8
171.07907	1.8
171.11644	4.6
177.16368	97.5
184.09711	2.1
185.07234	2.3
185.10039	23.8
195.06485	19.6
195.08037	2.3
195.10228	2.0
195.13745	3.8
195.17418	24.2
195.75555	1.6
200.10916	1.5
213.05310	3.8
213.09360	24.8
213.12671	5.7
213.16345	13.6
213.18497	14.7
214.88980	1.8
223.70892	1.7
231.06619	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03931	0.9
55.01866	0.6
55.05502	16.2
56.66717	0.4
57.03419	1.3
57.07071	8.3
59.05021	0.4
60.73193	0.5
67.05493	4.0
69.03419	1.5
69.07053	3.6
70.06582	0.8
70.98186	1.5
71.04991	0.8
75.57331	0.4
79.05482	4.0
80.44707	0.5
81.07037	5.5
83.04969	9.2
83.08607	0.9
85.06537	5.9
88.07608	2.1
91.05471	4.0
93.07029	14.5
95.04957	2.2
95.08591	11.6
97.06516	5.4
99.04453	0.6
104.11906	0.5
105.07014	5.6
107.04927	1.4
107.08579	20.2
109.06504	4.7
109.10156	3.0
110.73730	0.5
111.04427	100.0
111.08045	4.0
112.04716	1.1
113.06009	2.3
117.07005	1.5
119.08568	2.9
120.09321	0.5
121.06493	3.9
121.10119	3.4
122.07266	1.2
123.08024	1.8
125.05975	29.3
127.07516	3.1
128.06232	0.4
129.06975	1.1
130.07759	1.4
131.08548	0.7
135.08032	14.7
135.11670	24.4
136.29720	0.4
137.05962	0.5
137.09621	0.7
137.13202	2.2
139.07523	5.0
140.04735	0.5
141.07385	1.2
141.97231	0.5
142.07771	1.0
143.08499	2.4
144.41557	0.4
145.10103	16.7
151.03871	0.8
152.08301	0.5
153.12737	6.8
155.06999	0.7
155.08420	0.6
157.10129	2.1
163.11159	27.2
166.55551	0.5
167.08966	1.5
171.11681	2.5
177.16402	0.5
181.12206	62.4
182.12619	0.9
184.09657	0.6
185.10005	5.5
185.13275	0.5
195.06514	4.1
195.11752	0.8
195.13734	5.6
198.10284	0.6
198.13861	0.6
213.09483	5.5
213.12701	2.4
213.14790	1.6
213.16473	7.3
214.10695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.127
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03937	0.6
55.01855	0.9
55.05510	2.5
57.03402	0.6
57.07069	0.7
67.05480	1.7
69.03409	1.7
69.07046	1.8
69.64448	3.3
69.64854	1.1
70.06573	1.0
71.04972	1.3
73.95273	0.5
79.05481	2.0
81.03391	0.9
81.07034	2.0
83.04961	1.4
83.08591	0.8
85.02876	1.3
88.07618	3.0
91.05463	2.4
93.07040	2.4
95.04921	1.2
95.08580	1.8
98.21490	0.9
105.07040	2.2
107.04948	1.4
107.08566	2.4
109.06507	0.5
109.10122	0.7
111.04415	0.8
111.08096	0.8
115.05441	0.6
117.06955	0.9
119.08562	1.8
121.00763	0.4
121.06483	1.0
121.10104	1.2
127.03907	1.0
128.06210	1.9
129.07001	2.7
131.08537	1.5
133.10110	0.7
135.04405	0.5
135.11676	1.2
139.03854	0.5
140.04663	0.8
140.07051	1.0
141.07234	2.0
142.07729	4.5
143.08545	6.4
145.06474	0.5
145.10094	2.9
149.13193	0.7
151.03894	1.1
152.06160	0.7
153.06963	1.0
155.07193	0.7
155.08517	5.0
156.09320	2.4
157.06479	3.2
157.10110	10.2
158.07251	4.0
159.11676	0.7
163.03886	0.8
165.06961	4.3
167.07120	0.9
167.08897	3.9
169.06433	1.1
169.10068	0.7
170.07294	0.8
170.10890	2.5
171.08028	7.3
171.11647	6.1
172.08804	36.7
173.09596	7.3
177.09045	0.5
177.16350	0.7
179.08536	0.7
180.09311	3.3
181.10231	0.5
183.08020	19.2
183.11638	0.8
184.09747	0.9
185.09680	27.2
185.13179	3.4
195.06485	7.1
195.08067	0.8
195.10101	0.6
195.11687	5.4
195.13611	1.0
197.09627	2.1
198.10365	32.0
199.10757	0.6
213.09708	11.0
213.12720	100.0
213.15997	13.9
214.13016	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	213.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01862	2.6
55.05503	11.8
56.05020	3.6
56.96552	6.7
57.03420	3.8
57.07080	1.0
58.06617	1.1
60.04506	4.1
61.02897	1.5
62.72562	0.7
65.03931	2.1
67.04241	0.8
67.05491	6.8
68.05006	4.6
68.99776	1.3
69.03421	4.1
69.07055	6.0
70.02953	1.8
70.06200	1.7
70.06583	34.3
71.05000	1.3
71.70132	1.0
71.70472	1.6
72.04501	1.7
72.08133	7.6
72.93785	2.3
73.02911	2.8
75.76133	0.8
79.05482	21.1
79.06189	0.9
80.05004	9.0
81.03415	4.4
81.07043	35.6
82.06569	21.4
83.04963	1.8
83.08605	3.7
84.04497	2.7
84.08137	5.4
84.95991	1.2
85.02892	4.0
85.06520	1.2
86.02406	2.8
86.09696	7.5
87.00843	1.1
87.05582	18.3
88.03968	1.1
88.07616	4.5
90.94813	2.3
91.05466	9.3
93.05779	3.1
93.07029	11.2
94.06548	4.6
94.54940	1.0
95.04956	6.6
95.07333	2.8
95.08598	7.7
96.04474	1.7
96.08122	4.0
97.02880	4.1
97.06525	3.7
97.08907	14.4
97.10136	1.2
98.06039	1.6
98.09672	6.9
98.97580	3.8
99.00788	1.4
99.04417	2.0
99.08087	1.6
100.03951	4.4
105.07027	5.3
107.04940	9.7
107.08573	16.5
108.04478	2.5
108.08102	100.0
108.95897	1.0
109.02858	2.2
109.06505	2.9
109.08456	1.2
110.03640	0.9
110.07144	2.6
110.09663	17.4
111.04446	3.7
113.96407	1.1
114.05528	3.3
114.09158	3.0
115.09425	1.1
116.07051	4.4
116.98630	4.4
117.03330	0.9
119.08583	3.4
121.02858	1.0
121.06506	3.1
121.09380	1.2
121.10101	4.8
122.09656	16.2
123.04416	3.0
123.08070	3.1
124.02146	1.4
124.03932	5.3
124.11188	4.5
125.02328	1.5
125.05962	5.1
125.09626	1.1
125.64273	0.8
126.05502	4.8
126.09138	6.8
127.03909	2.2
127.07521	1.7
128.03410	3.2
128.07022	1.3
128.98581	1.3
130.96312	2.8
131.08568	4.0
133.06392	1.1
134.99644	2.4
135.04422	4.0
135.08063	3.4
135.23900	1.0
136.07549	1.9
137.05974	2.7
139.03850	4.9
139.07541	2.1
140.04662	4.3
140.07057	3.1
141.00055	1.2
141.07379	3.6
142.05025	1.8
142.08673	1.2
146.99626	2.3
147.96642	1.2
148.97362	9.1
149.06038	2.3
149.09590	8.8
149.96135	1.3
150.05515	1.3
150.09102	8.5
151.03886	5.5
151.07549	1.8
152.04723	1.2
152.10709	2.8
153.05414	4.2
154.02829	0.9
154.05042	7.5
154.06166	2.8
154.08607	67.9
155.07018	3.0
161.02956	1.2
163.03850	4.7
164.04291	0.9
165.05518	2.0
167.06992	12.2
167.09100	7.0
167.10466	2.1
167.11798	12.1
167.97163	2.8
168.06569	3.3
168.10132	6.2
169.13330	1.3
170.11734	12.7
171.99037	1.2
172.97752	1.6
177.00659	2.1
177.05507	1.2
177.09081	13.7
181.04907	2.6
184.09650	2.5
185.10025	19.9
185.16454	1.8
189.97635	2.5
190.98737	1.1
191.08681	5.2
195.06485	18.7
195.08125	1.5
195.10164	3.6
196.05994	1.2
196.09654	35.4
197.10033	1.2
201.53973	0.9
202.04988	2.1
207.98717	1.7
208.99713	1.1
213.05362	4.3
213.07405	2.7
213.09470	16.7
213.12349	41.1
213.16379	1.9
213.18773	0.9
214.07133	1.5
214.08958	2.8
214.10806	2.0
214.12683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1117
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03926	1.4
55.01852	1.9
55.05498	2.3
56.96547	2.3
57.03406	1.8
58.08593	0.8
67.05470	2.9
69.03399	3.1
69.07033	1.7
70.06554	4.2
71.05000	1.4
71.78502	1.4
79.05483	11.1
81.07021	5.0
83.08612	1.4
85.02868	1.5
86.09666	2.6
88.07584	1.5
91.05457	8.8
93.07029	16.0
95.04949	2.8
95.08584	11.2
97.06541	1.6
98.97559	8.3
99.04411	1.1
103.05432	2.7
105.07008	18.2
107.04943	7.9
107.08572	39.3
109.06477	8.5
111.04388	0.8
111.08031	1.2
116.98589	4.5
119.08546	4.1
121.06465	2.8
121.10125	87.0
123.04438	1.4
123.08044	45.0
123.11628	1.0
125.05977	1.8
125.09609	7.0
129.06976	2.0
131.08540	9.6
133.06470	2.1
133.07579	1.5
133.10101	3.0
134.99571	1.2
135.08017	6.3
139.11140	2.1
140.07014	1.3
147.11624	1.5
149.09592	67.7
150.09938	1.0
151.03839	1.6
151.07556	1.0
151.11162	2.3
153.01672	0.8
153.09084	1.9
157.09937	1.0
158.99626	3.2
163.07538	2.1
167.07022	9.4
167.09219	1.5
167.10651	20.3
169.08589	27.0
177.00661	3.9
177.09077	100.0
177.16402	1.5
185.09932	3.4
192.02510	0.9
195.06497	4.9
195.10135	36.8
213.09436	5.5
213.11159	91.8
225.55060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0754
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.65081	0.7
53.03928	2.6
54.13748	0.7
55.01855	1.1
55.05478	1.8
56.96545	1.1
57.03410	1.1
60.17165	0.7
61.02915	9.1
65.03925	5.1
67.05488	3.4
69.03415	1.7
69.07059	2.5
70.06573	12.2
71.01339	0.8
71.28139	2.0
72.08134	2.8
72.87031	0.7
72.93764	1.5
74.79810	0.7
77.03928	1.0
78.04674	0.8
79.05479	17.4
81.03399	1.0
81.07038	2.6
83.04995	1.2
83.08594	1.1
84.08109	1.8
85.02904	1.9
86.09683	2.9
88.07595	2.6
89.03917	1.0
91.05470	5.1
93.03401	4.8
93.07009	2.5
95.04942	5.8
95.08563	1.1
97.02836	0.9
97.06520	1.1
98.97588	1.2
105.03413	1.8
105.04502	1.3
107.04940	27.0
107.08563	2.0
108.02052	2.3
109.02877	2.2
109.06516	2.1
110.03644	21.8
110.04397	1.2
110.07156	2.2
111.04429	16.0
116.07068	1.8
117.03337	1.6
119.04951	2.0
119.08543	1.3
121.06493	9.8
121.10150	1.6
122.03639	4.8
123.04414	1.4
123.07928	0.9
124.05170	0.8
124.07626	0.8
125.05972	66.5
126.06362	1.0
129.07004	1.1
130.96272	1.8
131.08524	1.0
133.02835	11.1
135.04395	29.6
137.05934	5.9
139.03859	1.5
140.04637	2.8
140.07056	1.1
141.05434	5.6
141.07347	2.6
142.05812	0.9
147.96539	0.8
148.97345	8.3
149.05960	20.8
149.09544	1.3
150.03090	11.5
151.03885	100.0
151.04971	8.2
152.04590	1.5
153.05444	15.7
154.06119	1.2
155.07039	2.4
162.03105	1.6
163.03879	10.2
165.05458	39.7
167.07018	21.1
167.08986	4.4
167.10565	0.8
167.97195	0.8
169.07529	0.9
170.11804	1.6
171.19250	0.8
177.05435	22.5
177.09044	1.2
181.04933	0.9
184.09666	1.0
185.09999	13.1
189.97664	1.0
195.06494	27.0
195.10168	1.6
207.98717	1.5
213.05438	3.1
213.07559	12.3
213.09468	13.3
213.12459	3.3
213.16534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01857	5.8
55.05503	5.0
56.85808	1.4
56.96556	84.5
57.03434	11.9
61.02917	31.1
64.27101	1.2
65.03915	1.4
67.05486	1.1
69.03428	10.9
70.06583	53.9
70.27706	3.2
70.28102	3.6
70.98108	4.1
71.01330	1.7
71.04971	3.9
71.95236	6.2
72.08133	4.0
72.96037	2.1
73.02908	29.8
74.03243	1.8
74.97596	3.0
81.03391	4.7
83.00768	2.8
83.01278	1.5
83.04958	4.4
84.04465	2.8
84.08145	8.2
84.96035	6.9
85.02389	1.4
85.02888	27.8
86.03250	1.8
86.09699	15.2
87.04443	1.5
88.07563	1.3
88.99150	3.5
89.00774	1.6
91.05476	1.5
92.01267	3.1
95.00751	1.3
95.01321	3.2
96.01516	1.9
97.02872	19.2
97.06509	2.6
98.01292	3.4
98.97571	100.0
99.04452	6.9
99.97902	2.0
100.03972	4.0
100.99143	1.8
101.00844	5.9
101.02396	1.7
102.01538	1.3
103.03884	1.6
104.01238	1.5
105.02036	2.1
107.04961	3.1
109.02859	4.4
110.01269	9.5
110.07150	3.5
110.97556	9.8
112.07584	3.3
112.08735	4.4
112.99134	1.8
113.00871	2.0
113.02364	2.0
113.07840	1.6
115.03905	2.5
116.01250	1.5
116.07076	5.1
116.98600	72.8
117.01946	2.6
117.02888	1.5
118.03493	1.9
119.01853	39.4
119.51878	1.7
120.01969	3.4
120.97938	2.0
121.01606	4.7
122.01211	1.4
123.55509	1.4
124.95447	2.7
126.05577	1.5
127.01526	2.9
127.03915	16.5
128.02307	25.1
128.52499	2.2
128.98599	18.4
130.00966	2.1
131.00189	2.1
131.01840	11.0
132.00725	3.5
132.03450	1.8
133.01591	6.8
133.03403	2.7
134.99634	37.2
135.03116	2.9
136.07529	4.4
137.02855	17.8
137.05991	3.0
138.00719	2.0
139.01511	2.2
139.53073	2.6
140.02298	2.5
140.07028	3.8
140.98602	2.8
141.01219	2.8
142.96532	7.0
143.00148	5.3
143.01871	3.7
144.03461	2.0
144.98056	3.0
145.01627	3.4
145.03473	3.8
145.04878	3.0
146.02286	1.9
146.99617	15.8
147.01338	1.8
147.03122	1.8
147.04285	3.1
148.02005	1.7
149.01221	1.9
149.02888	4.1
150.01788	2.5
150.10187	2.0
152.00400	1.4
152.02293	2.6
152.07027	2.3
153.01318	1.9
153.10187	1.9
154.01967	2.6
154.08603	5.5
156.01807	1.7
156.98082	1.9
157.02518	2.7
158.01305	2.6
158.99655	12.9
159.03065	1.7
159.06801	2.8
160.97603	7.3
161.01190	9.3
161.02856	9.7
162.01759	12.3
162.03099	3.4
162.99110	2.7
163.02686	3.6
165.00716	7.3
167.06975	3.2
167.08995	1.6
168.01750	5.7
168.53502	1.4
169.02592	4.4
170.99655	6.5
171.01241	2.8
172.02769	2.4
172.97552	2.8
173.01309	2.5
173.02948	4.3
173.96997	1.4
174.01727	2.0
174.99109	6.3
175.02679	3.8
177.00713	12.2
177.02310	7.0
177.07761	2.2
179.02217	1.7
181.00203	1.4
181.04988	5.1
182.99602	2.0
183.02306	8.4
183.04909	1.7
183.52435	1.7
184.97607	3.2
185.02968	5.9
185.10052	4.9
186.03012	1.9
186.09711	9.2
186.99078	3.1
188.97073	5.1
189.00710	14.2
189.02298	3.1
189.04311	2.0
190.03842	7.9
190.98615	10.2
191.02290	2.7
191.03949	3.4
191.07674	2.0
192.02824	5.5
193.00186	3.8
195.01845	1.8
195.08543	2.0
195.12428	7.2
201.00714	3.7
202.98640	5.4
203.03981	3.8
204.02797	2.8
204.10742	1.9
205.00169	5.0
206.98170	3.4
207.01736	4.8
208.99634	4.3
213.03391	4.8
213.07718	4.6
213.09517	3.8
213.12173	6.1
213.13501	9.2
214.03865	3.1
214.09227	4.6
217.00249	4.4
219.01627	7.1
230.98070	3.4
231.03537	3.0
231.08977	6.6
232.04965	1.8
232.10265	9.3
232.99721	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	211.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.7
55.01838	6.3
55.05504	23.9
56.96528	2.0
57.03425	16.6
57.07067	8.4
57.75284	1.8
59.04996	18.5
61.85663	1.7
64.97288	1.6
67.05489	23.6
69.03391	7.6
69.07058	30.0
70.06572	4.0
71.00940	4.4
71.04982	59.1
73.06538	1.9
79.05485	18.7
80.04993	3.9
81.03404	8.9
81.07043	50.7
81.87409	1.8
83.01311	2.6
83.04974	10.0
83.08600	19.6
85.02847	4.5
85.06516	11.5
91.05482	16.9
93.07029	51.5
95.04951	12.6
95.07323	2.6
95.08004	3.6
95.08594	62.4
96.08075	1.9
97.02859	2.2
97.06512	35.2
97.10123	6.6
98.06008	3.2
99.04430	12.0
99.08073	11.3
105.06425	2.1
105.07019	27.1
107.07906	3.1
107.08578	45.5
109.06509	14.7
109.10146	39.7
111.04411	2.2
111.08076	9.7
112.07558	4.2
113.09544	2.8
114.09116	1.9
115.05361	2.4
115.07547	11.9
119.04894	2.4
119.08566	42.8
121.06496	2.9
121.10126	24.6
123.04365	7.0
123.08067	16.1
123.11687	82.0
125.05975	2.7
125.09634	11.2
126.09172	1.9
127.03820	2.4
127.07504	4.2
129.06889	2.4
131.08531	3.5
133.09177	2.5
133.10112	44.0
134.10571	1.9
135.07971	3.7
135.11668	100.0
137.02278	1.6
137.05951	12.3
137.09619	13.3
137.13208	5.0
139.11159	2.3
140.07037	24.9
141.09026	3.3
141.12679	8.2
141.70868	1.7
142.08556	6.7
147.08028	2.0
147.11671	15.8
149.05943	3.7
149.09520	2.1
149.13231	9.8
151.03801	3.5
151.07564	9.1
151.11180	2.8
151.14871	3.2
153.05302	1.8
153.09067	4.8
153.12715	22.4
155.08479	6.0
155.10661	8.4
157.10049	3.4
165.05504	2.5
165.09045	3.5
165.12708	4.1
165.16374	3.2
166.08603	34.4
167.07043	24.4
167.08386	2.6
167.10590	7.2
167.14293	3.6
169.10075	10.1
175.11121	6.2
175.14804	64.9
176.15016	2.4
177.22675	1.6
179.06950	4.9
181.08551	3.1
181.10010	4.0
182.10805	2.3
183.06464	2.6
183.11606	4.4
184.09671	96.5
193.08507	5.8
193.10550	1.6
193.12212	11.4
193.15857	30.8
196.12428	3.7
211.05881	2.1
211.07683	3.4
211.09511	4.7
211.11176	4.5
211.13187	7.7
211.14787	16.3
211.16847	99.0
212.09148	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	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03917	1.3
55.01858	6.4
55.05503	12.6
57.03428	22.2
57.07052	3.6
59.04992	4.5
64.17141	0.8
65.03932	1.6
67.05495	21.3
67.52442	0.8
69.03425	6.4
69.07058	23.4
70.06596	0.9
70.82452	3.0
70.84582	0.8
71.04982	29.1
79.05486	11.4
79.51311	0.8
81.03401	4.5
81.07042	25.6
83.01326	0.9
83.04973	8.7
83.08601	6.1
85.02892	1.5
85.06533	42.3
87.08085	1.9
91.05461	10.9
93.07030	37.3
95.04948	11.3
95.08594	37.0
97.02888	1.7
97.06522	8.0
97.10151	2.0
99.04443	4.7
99.07438	1.3
99.08080	22.4
103.05479	1.0
105.07017	19.1
106.04189	0.8
107.04929	1.4
107.08576	61.7
109.02847	1.1
109.06492	6.9
109.10139	76.9
110.10418	1.2
111.08060	7.4
113.05979	6.0
113.09605	1.5
113.90453	0.9
115.07487	0.9
117.06938	1.0
119.05042	0.8
119.08566	33.4
121.06449	2.2
121.10123	14.1
123.04388	3.5
123.08062	8.5
123.11684	15.5
125.05939	1.3
125.09618	14.9
127.07445	0.9
127.11178	5.6
129.06975	1.1
129.09108	1.3
131.08537	2.7
132.27094	0.8
133.06435	1.4
133.10115	24.3
135.11673	100.0
136.12054	1.9
137.05946	3.4
137.09595	10.0
137.13318	0.9
139.11168	4.5
140.07034	5.4
141.09010	1.1
141.12749	1.0
142.08585	1.1
147.07967	2.3
147.11655	9.6
149.05916	1.7
149.09587	3.3
149.13235	22.6
149.14424	1.3
151.03807	1.2
151.07500	1.8
151.11151	2.9
151.14804	7.2
153.09155	1.3
153.12720	53.2
154.12985	0.9
155.10606	2.3
157.10097	0.9
165.09108	1.1
165.12761	4.5
166.08615	7.7
167.07018	17.2
167.10658	12.7
167.14285	3.4
169.12231	1.9
175.11160	3.4
175.14798	39.2
179.07011	1.5
181.08574	1.9
184.09665	24.4
193.08592	2.6
193.12228	6.1
193.15892	12.9
211.07477	2.2
211.09502	2.0
211.11430	1.4
211.13257	3.2
211.15053	1.8
211.16884	48.0
212.09132	21.7
221.51228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03928	1.3
55.01862	2.4
55.05505	14.6
55.36271	1.1
57.03430	27.6
57.07045	3.6
59.04996	9.9
67.05492	13.5
69.03412	5.2
69.07058	27.8
69.91207	7.8
71.04982	48.6
76.14800	1.1
79.05478	12.8
81.03398	5.4
81.06602	1.9
81.07048	34.9
83.04949	4.6
83.08610	12.3
85.06528	8.9
91.05473	11.0
93.07030	40.1
95.04960	8.5
95.08595	46.1
95.14545	1.2
97.06516	26.1
97.10157	2.8
98.05993	1.1
99.04453	6.8
99.08083	10.1
105.07008	17.1
107.08578	39.1
109.02796	1.5
109.06502	7.6
109.09386	2.3
109.10137	29.5
111.08075	8.7
113.09605	2.3
115.07549	13.9
115.94759	1.1
117.06996	1.2
119.08562	32.4
121.06445	1.1
121.10128	26.7
123.04407	2.9
123.08047	16.0
123.11691	68.9
125.09612	18.7
127.07514	4.5
127.11177	1.2
131.08560	2.1
133.10117	28.5
135.08015	1.7
135.11674	69.8
137.05933	2.9
137.09598	11.6
137.13228	6.2
139.01863	1.2
139.11168	6.5
140.07027	5.4
141.05484	1.1
141.09058	3.1
141.12743	5.7
141.94444	1.1
147.11691	8.7
149.09583	7.2
149.13231	13.7
151.07510	1.4
151.11148	2.1
153.12735	15.0
155.10667	9.8
165.12732	2.5
166.08655	7.2
167.07014	11.1
167.10648	17.5
167.14265	4.1
169.10002	1.3
169.12149	2.7
175.11182	4.3
175.14813	47.2
176.15158	1.5
179.07031	1.7
184.09666	17.1
193.08534	3.2
193.12233	5.2
193.15880	17.0
211.09566	2.7
211.13304	5.4
211.16898	100.0
212.09164	13.7
212.17291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.56057	1.8
55.01845	2.5
55.05495	20.5
57.03430	15.7
57.07042	7.3
59.04988	15.6
67.05491	19.7
69.03394	6.8
69.06744	2.5
69.07055	28.9
70.06544	2.5
70.39332	5.2
71.04614	3.6
71.04978	57.7
73.69709	1.6
79.05481	15.6
79.20999	1.8
80.04952	2.8
81.03412	10.5
81.07040	47.9
83.01294	2.1
83.04945	7.3
83.08599	20.3
84.08105	2.3
85.06485	7.8
87.04445	1.7
91.05453	15.9
92.69216	2.0
93.07028	46.9
95.04970	12.0
95.07302	2.5
95.08587	67.1
96.08089	3.5
97.02845	3.0
97.06517	29.1
97.10126	5.7
98.06003	2.1
98.20746	2.0
99.04443	13.4
99.07470	1.8
99.08079	12.2
105.03304	2.9
105.07011	21.8
107.04926	2.9
107.08573	46.1
109.02827	3.9
109.06494	12.3
109.10135	34.8
111.08076	7.9
112.07562	2.6
113.09622	3.4
114.13512	1.7
115.07571	13.1
117.07024	2.0
119.08560	43.4
121.09367	2.0
121.10133	25.2
123.04341	3.5
123.08022	13.9
123.11682	69.9
125.05933	2.9
125.09612	11.5
127.07482	6.9
131.08505	2.9
133.09154	3.0
133.10104	41.9
135.08066	3.0
135.11665	100.0
137.05977	8.5
137.09579	13.5
137.13176	6.9
139.11113	2.3
140.07043	12.2
141.09000	3.8
141.12703	11.6
142.08621	2.9
145.10065	1.8
147.08015	2.6
147.11682	12.5
149.05907	2.6
149.09508	3.0
149.13179	12.0
151.03835	2.2
151.07465	4.6
151.11113	4.5
151.14716	2.9
153.09044	2.5
153.12721	24.0
155.08484	5.4
155.10608	8.6
157.10110	2.1
161.02109	1.8
165.09052	2.4
165.12730	4.8
165.16307	1.7
166.08580	22.5
167.07042	18.9
167.10587	5.9
167.14267	2.8
169.10094	8.2
169.12161	2.3
175.11212	3.8
175.14792	64.2
179.06918	1.9
181.08531	1.9
181.10066	3.4
183.06496	3.8
183.07944	1.9
183.11504	2.5
184.09660	78.8
193.04825	2.8
193.08528	6.4
193.12288	9.9
193.14282	1.9
193.15866	23.4
196.08771	5.0
196.12413	4.8
211.05807	2.4
211.07712	2.1
211.09476	5.2
211.11348	3.6
211.14731	17.5
211.16837	90.0
212.09137	60.3
212.12454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03935	2.5
55.01858	2.6
55.05494	15.1
57.03432	2.4
57.07063	2.9
59.04978	3.9
65.03923	1.5
67.05490	14.7
69.03418	5.5
69.07056	15.3
69.96849	6.3
71.04981	10.4
72.08170	1.0
74.40453	0.9
76.11494	0.9
77.03883	1.2
78.04697	1.2
78.50891	0.8
79.05486	10.1
81.03400	2.3
81.07042	28.1
81.89919	0.9
83.04967	11.3
83.08598	6.0
85.02869	1.2
85.06529	3.3
87.82383	1.0
88.68761	0.9
91.05461	46.8
92.05779	1.1
93.06432	1.2
93.07022	22.1
95.04955	6.8
95.08590	44.2
97.06520	5.9
97.10143	1.3
99.04437	12.5
99.08060	8.5
103.05451	3.9
105.03355	2.2
105.07005	21.6
106.04185	1.2
107.04934	6.8
107.08572	25.2
108.05717	1.0
109.06493	6.5
109.10133	37.1
111.08086	3.8
111.11711	1.1
113.05968	1.4
113.09618	6.9
115.07538	1.4
117.06989	1.9
119.04923	18.6
119.08560	69.5
121.06495	5.5
121.10122	6.7
123.04438	3.2
123.08045	5.2
123.11675	11.5
125.05959	0.9
125.09612	10.4
131.08600	1.0
133.06465	2.1
133.10101	99.7
134.03601	2.9
134.10487	2.0
135.07986	1.4
135.11665	38.2
137.05986	4.8
137.09583	20.0
140.07050	3.8
141.09042	1.5
147.04401	3.9
147.08124	1.0
147.11668	4.1
149.05957	8.8
149.13226	2.6
151.03917	2.2
151.07523	9.0
151.11133	1.9
153.05466	1.9
153.12718	3.4
155.10657	8.0
165.16341	4.7
166.06285	1.1
166.08632	3.9
167.07010	31.9
168.07623	2.0
175.14793	100.0
179.07008	3.9
181.08585	4.0
184.09666	15.6
193.06950	1.2
193.08604	2.5
193.12231	1.8
193.15828	14.3
201.34409	0.9
211.05943	1.3
211.07704	1.7
211.09615	7.6
211.16890	13.6
212.09190	10.1
219.47643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.92845	0.6
53.03923	1.0
55.01860	1.6
55.05496	3.1
57.03429	17.0
57.07059	1.9
58.13119	0.8
59.77913	0.5
62.62436	0.5
63.34258	0.6
67.05486	6.9
69.03410	2.5
69.07059	12.5
71.04983	49.4
71.24133	1.5
73.06569	1.0
75.40304	0.6
79.05481	4.6
81.03403	2.5
81.07048	10.6
83.04970	1.6
83.08611	2.8
85.06536	4.7
91.05484	4.7
93.07030	15.4
95.04937	4.0
95.08596	21.9
97.06514	9.8
97.10160	1.5
99.04441	100.0
99.08086	1.8
100.87772	0.6
103.05415	0.6
105.07013	5.0
107.08575	14.8
109.02812	0.6
109.06495	2.7
109.10144	13.9
111.08061	2.2
111.11710	0.8
113.09633	12.3
115.07552	5.4
117.07020	1.0
119.08576	11.8
121.06524	0.8
121.10146	7.5
123.04396	1.3
123.08051	9.7
123.11681	7.3
125.09606	11.1
127.07500	0.9
127.11158	0.8
129.06970	0.7
133.10120	7.3
135.11674	38.7
137.05974	1.6
137.09673	3.1
137.13258	0.7
139.11156	5.9
140.07062	1.4
141.09094	1.7
141.12706	5.1
143.10617	0.8
147.08064	1.0
147.11685	4.1
149.05948	0.9
149.09593	3.0
149.13245	2.1
151.03874	0.8
151.07585	1.4
151.11203	1.0
151.14815	6.7
153.12726	3.5
155.17374	0.6
165.12704	2.0
166.08586	2.0
167.07051	5.5
167.10652	12.7
167.14323	0.6
169.12196	1.3
169.15817	2.0
175.11194	1.6
175.14796	10.1
179.07066	0.9
184.09695	5.8
193.08429	0.6
193.12192	2.3
193.15878	8.0
211.07574	1.3
211.09473	1.2
211.13312	1.5
211.16895	33.3
212.09145	4.1
212.17313	0.8
212.27380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23747	0.9
55.01854	1.8
55.05504	10.3
56.73074	1.3
56.96545	1.2
57.03407	2.8
57.07050	3.0
57.79161	0.8
59.04979	2.4
61.97360	0.9
67.05495	11.5
69.03412	2.3
69.07056	15.8
70.06573	2.8
71.04983	6.6
71.78493	2.0
72.08135	1.2
77.03894	1.1
78.04684	1.1
79.05490	6.5
81.03389	1.9
81.07047	17.0
83.04971	5.9
83.08595	3.7
85.02878	1.3
85.06514	2.1
86.09704	1.2
91.05454	11.1
93.07029	17.0
95.04969	6.3
95.08593	34.1
97.02894	1.9
97.06506	4.2
97.10132	1.9
98.09637	1.1
99.04451	4.6
99.08088	5.7
103.05408	1.7
105.07014	13.7
107.08570	23.9
109.02866	1.2
109.06504	4.8
109.10139	20.9
111.08047	2.4
112.07610	1.3
113.09605	4.2
119.04911	1.6
119.08561	55.9
121.06510	4.7
121.10123	7.5
123.04400	3.9
123.08048	5.5
123.11686	9.5
125.05946	1.1
125.09553	2.7
127.03901	1.3
131.08487	1.5
133.02864	1.2
133.10107	100.0
134.10390	1.6
135.11667	34.4
136.12048	1.3
137.05951	3.8
137.09595	9.2
137.13213	1.6
140.07018	8.4
142.08543	1.2
145.10063	1.1
147.08072	1.2
147.11696	6.5
149.02301	1.8
149.05948	5.0
149.13177	2.7
151.03871	2.5
151.07536	3.8
151.08804	1.0
151.11119	2.2
153.01868	1.0
153.12640	2.4
155.10638	4.1
157.11958	0.9
165.05339	1.0
165.09116	1.6
165.16344	3.0
166.08601	12.0
167.07011	31.6
168.07291	0.9
175.14799	75.6
176.15149	1.0
179.07057	1.8
181.08554	3.3
183.06535	1.0
183.08012	1.5
184.08020	1.7
184.09663	28.6
193.04968	1.9
193.08607	2.8
193.12206	3.0
193.15831	18.2
194.07939	1.1
211.05833	1.9
211.07578	2.8
211.09570	2.4
211.11356	2.4
211.16885	10.7
212.09125	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01864	5.6
55.05502	12.0
57.03156	1.1
57.03428	22.1
57.07047	2.3
59.04990	4.5
61.88118	0.8
65.03919	1.0
66.91593	0.9
67.05497	18.2
67.45657	0.8
69.03413	4.0
69.07057	22.6
69.55392	4.4
69.55817	3.3
71.04984	21.6
73.06519	1.1
79.05485	11.6
81.03414	3.9
81.06606	1.2
81.07047	21.6
83.01313	0.8
83.04977	5.4
83.08609	5.6
85.02881	1.2
85.06017	2.1
85.06534	42.4
88.97841	0.9
91.05467	10.1
93.07034	40.0
95.04402	1.0
95.04962	13.3
95.08601	31.3
97.06524	8.0
97.10151	1.2
98.21479	1.3
99.04424	3.1
99.08084	21.2
99.40188	0.9
101.05991	1.5
105.07018	17.0
107.08582	54.0
109.06487	4.7
109.10144	77.9
110.10414	1.0
111.04356	1.0
111.08048	6.1
111.11710	1.4
113.05993	4.5
115.07545	1.5
117.07001	1.1
118.73641	0.8
119.08566	28.6
121.06506	1.4
121.10125	15.3
123.04456	1.7
123.08053	8.9
123.11697	13.6
125.09625	10.8
127.11185	5.8
129.07034	0.9
131.08545	1.6
133.10123	21.1
135.11679	100.0
136.12021	1.6
137.05934	3.5
137.09615	10.6
137.13203	1.4
139.11160	7.4
140.07045	3.7
147.08002	1.9
147.11661	7.4
149.05974	1.7
149.09534	4.5
149.13242	20.8
151.07475	1.8
151.11118	2.2
151.14804	6.6
153.12727	57.4
155.10652	2.9
159.83748	1.0
165.09052	1.1
165.12743	3.2
166.08594	5.0
167.07025	12.2
167.10660	16.4
167.14276	4.0
169.10081	1.1
169.12206	1.6
175.11163	2.5
175.14799	36.6
179.07076	1.0
181.08565	1.4
184.09666	18.6
193.08548	1.8
193.12231	6.2
193.15877	11.9
211.07581	2.4
211.09502	1.7
211.11400	1.2
211.13312	2.7
211.16895	40.5
212.09169	15.0
217.64323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02373	1.1
53.03936	3.3
55.01868	6.6
55.05507	24.8
57.03430	100.0
57.07060	6.6
59.04996	5.3
65.03918	2.2
67.05498	43.3
69.03423	16.5
69.07063	30.2
70.06574	2.4
71.04987	22.0
71.08804	2.2
73.02895	1.5
77.03903	1.5
77.34913	1.0
78.04695	2.5
79.05486	30.8
80.05005	1.4
81.03409	28.7
81.07047	62.1
83.01342	1.9
83.04974	26.4
83.08609	18.1
84.08140	2.1
85.02886	2.4
85.06531	13.1
87.04472	1.2
87.43289	1.1
91.05471	32.7
93.07033	57.2
94.07383	1.2
95.04958	32.5
95.08597	62.8
97.02879	4.0
97.06519	26.4
97.10152	6.2
98.06031	2.0
99.04441	15.0
99.08094	9.7
100.11835	1.1
103.05451	4.2
105.03400	1.5
105.06313	2.2
105.07020	34.7
106.04157	1.3
107.04951	4.9
107.08582	48.5
109.02865	3.5
109.06506	20.4
109.10141	70.2
110.02400	1.6
111.04419	2.3
111.08066	20.9
111.11731	1.4
113.05993	3.4
113.09629	4.5
114.09160	1.2
115.05452	2.4
115.07564	4.3
117.07021	3.5
119.04911	2.7
119.08570	59.3
121.06496	6.4
121.10138	34.8
121.10834	0.8
123.04425	11.3
123.08054	42.4
123.11698	20.5
124.05202	2.2
125.05964	4.2
125.09620	47.7
126.09969	1.1
126.99327	1.0
127.07539	3.4
127.11221	2.6
129.06982	6.3
131.08546	6.6
133.02795	1.6
133.06514	3.6
133.09303	1.0
133.10114	39.9
135.08044	4.7
135.11681	42.2
137.05963	15.5
137.09605	34.4
137.13252	5.0
138.10323	1.2
139.11171	23.8
140.07065	8.8
141.05507	1.6
141.09131	1.5
141.12724	1.3
142.07770	3.2
142.08702	1.5
145.10080	1.3
147.04373	1.8
147.08064	6.5
147.11671	30.0
149.05948	6.8
149.09622	21.8
149.13225	8.5
151.03880	4.9
151.06477	1.3
151.07552	9.9
151.11154	7.4
151.14828	6.0
151.18259	1.2
153.05466	1.1
153.06976	1.3
153.09111	4.4
153.12718	8.6
155.07005	1.1
155.08527	3.6
155.10643	1.9
157.10123	6.2
158.34711	1.3
163.14806	4.7
165.09109	3.4
165.12743	12.3
165.16321	2.5
166.08643	16.1
167.07024	77.5
167.10663	71.6
168.10925	1.5
169.10124	4.0
169.12189	5.4
175.11166	17.3
175.14818	38.2
179.07080	8.6
181.08577	6.2
183.06587	2.5
183.08028	1.9
183.11691	2.5
184.09683	49.4
193.04973	3.6
193.08591	9.4
193.10242	1.6
193.12225	26.9
193.15874	22.3
195.60995	1.0
196.05116	1.2
196.08707	1.8
196.12410	1.7
211.05936	3.4
211.07574	7.2
211.09627	9.4
211.11261	4.3
211.13095	22.5
211.14864	6.1
211.16818	28.4
212.09160	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03943	0.8
55.01866	1.7
55.05503	1.5
57.03432	0.9
57.07063	0.3
65.03932	0.9
67.05490	3.5
68.99787	0.5
69.03423	1.0
69.07056	1.3
71.04984	1.0
71.30357	0.7
71.30721	0.6
78.04722	0.4
79.05480	4.6
81.03408	1.6
81.07053	2.7
83.01331	0.3
83.04976	1.7
83.08609	0.8
84.08127	0.4
85.02871	0.6
85.06541	0.8
90.36608	0.3
91.05474	6.2
93.03396	0.4
93.07027	2.3
95.04958	5.4
95.08593	2.3
95.45426	0.3
97.02861	0.5
97.06520	1.1
99.04417	0.7
99.08074	0.3
103.05452	2.8
105.07019	8.6
107.04933	1.6
107.08591	1.3
108.05724	0.8
109.02870	1.1
109.06493	1.8
109.10140	2.1
110.03661	1.6
111.04444	1.1
111.08083	0.7
115.05412	0.5
118.04153	2.0
119.04943	4.7
119.08566	1.3
120.05730	0.3
121.02869	0.9
121.06496	3.1
121.10193	0.6
122.07233	0.4
123.04414	42.8
123.08034	4.2
123.11659	0.9
124.05197	0.4
125.05949	0.7
125.09553	0.9
131.04942	0.4
133.06470	4.8
133.09201	0.4
133.10100	2.2
134.07227	0.5
135.04396	1.0
135.08063	0.9
135.11670	1.2
136.05180	0.9
137.05957	3.4
137.09575	1.1
140.07013	1.0
146.03627	0.4
147.04387	4.0
147.11702	0.7
149.05968	2.5
150.06763	2.6
151.03923	3.0
151.07521	26.7
152.04625	0.6
161.05934	1.1
161.07132	1.5
164.04648	0.5
165.05441	0.4
165.09081	2.8
166.06285	0.4
166.08624	1.4
167.07022	13.6
167.10622	0.4
175.11157	0.6
175.14793	0.9
179.07011	100.0
180.07396	2.0
181.08612	2.0
184.09691	4.1
193.04855	0.5
193.08585	9.0
193.12169	1.2
211.07625	1.0
211.09602	17.8
211.13074	0.8
211.16870	1.0
212.09155	3.1
212.11090	0.3
212.11742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1324
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03934	5.3
55.01862	5.7
55.05502	38.5
57.03149	1.6
57.03427	26.2
57.07061	1.6
59.04983	2.0
60.52494	1.0
62.23421	1.5
65.36032	1.1
67.05492	32.5
69.03419	10.3
69.07050	13.7
71.04988	5.3
71.48333	1.9
79.05479	33.2
81.03401	100.0
81.07040	36.6
83.04964	51.5
83.08603	36.4
85.06517	3.9
88.58568	1.1
91.05462	32.9
93.07021	25.6
95.04949	40.0
95.08585	16.3
97.02859	4.4
97.06506	8.7
97.10160	7.7
97.18535	1.0
99.08070	3.3
105.07008	27.5
107.04926	7.2
107.08572	8.1
109.06510	8.2
109.10120	9.2
111.04408	3.5
111.08058	18.2
115.05455	1.6
119.08567	24.9
121.06499	3.3
121.10118	10.6
123.08057	9.3
123.11662	3.2
125.09631	9.8
129.06975	13.7
131.08548	14.5
133.06464	3.9
133.10110	15.7
135.08017	1.3
135.11662	3.3
137.05922	2.2
137.09599	4.5
137.13284	1.3
139.11143	3.1
142.07770	1.9
145.10077	2.3
147.08015	5.4
147.11655	19.4
149.09586	11.7
151.11172	1.3
157.10078	17.8
163.11099	1.3
165.12675	5.6
166.08617	1.9
167.07013	4.0
167.10667	11.6
175.11153	23.3
175.14865	1.2
184.09708	2.7
193.12204	62.5
211.13214	34.0
211.16426	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01862	0.6
55.05509	1.2
56.81898	0.2
57.03430	4.0
57.07050	0.3
65.03928	0.6
67.05502	1.9
68.95793	0.2
69.03423	2.4
69.07056	1.0
70.02296	0.5
70.02695	1.2
70.06580	0.2
71.04984	0.6
72.08145	0.2
73.12499	0.2
75.04457	1.2
78.04696	0.3
79.05484	1.4
81.03411	1.4
81.07040	1.9
83.04979	1.3
83.08605	0.9
85.02897	0.3
85.06525	1.0
91.05470	100.0
92.05810	1.1
93.05537	0.2
93.07037	1.7
94.06552	0.4
95.04958	1.9
95.08601	1.8
97.06528	0.9
97.10169	0.2
98.06003	0.3
99.04444	0.9
99.08073	0.5
101.05969	0.2
103.05450	0.5
105.03396	0.4
105.07012	1.8
107.04958	0.2
107.08585	1.4
109.02871	0.6
109.06510	1.2
109.10148	1.7
111.04427	0.4
111.08057	0.5
113.05950	0.2
119.04950	0.7
119.06071	0.7
119.08557	2.5
121.06490	0.9
121.10149	0.8
123.04419	1.0
123.08067	0.7
123.11718	0.4
125.09613	4.0
129.06952	0.3
131.08632	0.4
133.02805	0.3
133.06436	0.4
133.10095	2.8
135.07973	0.3
135.11667	1.6
136.06148	0.2
137.02275	1.3
137.05954	3.2
137.09625	0.7
140.07079	0.9
142.08713	0.3
147.08047	0.5
147.11674	0.7
149.02422	0.3
149.05980	0.8
149.13350	0.4
151.03952	0.5
151.07559	0.6
151.11179	0.3
151.14784	0.2
152.06998	0.2
152.11549	0.2
153.07027	0.3
153.09076	0.2
153.11797	0.4
155.07184	0.2
155.08553	0.7
157.10144	0.3
161.06032	0.2
165.05576	0.3
165.06999	0.5
165.09085	0.4
166.06256	0.3
166.08636	1.6
167.07021	6.7
169.10089	0.5
175.07462	0.2
175.11145	0.6
175.14859	2.0
179.07120	0.2
181.06436	0.2
181.08629	1.0
181.10088	0.4
183.06593	0.2
183.08063	0.3
183.11691	0.4
184.09673	4.3
193.04837	0.3
193.08580	6.1
193.12206	1.4
193.15843	0.9
195.09276	0.3
196.12460	0.2
211.05881	0.4
211.07590	1.5
211.09619	0.7
211.11279	0.8
211.13147	0.4
211.14807	0.9
211.16992	0.5
212.09196	3.1
212.11856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05494	0.8
56.05031	0.3
56.96563	2.6
57.03418	0.7
60.04497	0.7
62.06073	0.4
67.05489	1.1
69.03411	1.1
69.07056	4.5
69.17765	0.3
70.06566	0.8
70.24599	1.5
71.04968	0.7
72.04488	1.1
72.08137	0.5
73.02893	0.8
74.06087	0.4
79.05482	2.2
81.03405	0.5
81.07053	0.5
83.04971	0.5
84.04492	0.3
84.08130	1.4
84.96018	0.3
85.02897	0.9
86.09698	0.4
91.05459	4.1
93.07030	0.8
95.01335	0.4
95.04944	1.5
95.08556	0.4
96.04466	0.3
97.02877	0.9
97.06474	0.6
98.97594	1.4
99.04436	0.3
101.05993	0.3
103.05446	4.3
105.02085	0.3
105.07014	6.3
107.04941	3.1
108.08140	0.3
109.02844	0.3
109.06515	0.5
111.04421	0.5
112.07581	0.3
115.03876	0.4
116.98586	0.9
117.05711	1.2
117.07001	2.9
118.05029	0.3
118.06540	3.0
119.01801	0.4
119.07312	4.8
119.08537	0.6
120.08087	6.8
120.08946	0.3
121.06484	1.3
122.06020	0.4
123.04406	0.7
125.05981	0.3
127.03911	0.4
128.06206	0.9
129.06975	4.6
130.06465	0.5
131.04884	1.8
131.07268	1.4
134.99605	0.5
136.07565	1.0
137.05952	1.3
144.08055	1.2
146.09630	6.9
148.98895	0.4
149.01288	0.5
149.05977	0.6
150.05402	0.5
150.06473	0.3
151.04045	0.4
154.08566	0.5
156.01743	0.3
158.99585	0.3
161.94566	0.3
163.97713	1.0
164.10687	100.0
165.11037	1.1
167.07051	2.0
168.06639	0.3
177.00671	0.5
178.05835	0.7
181.98735	0.7
182.03400	0.3
182.08044	3.5
183.06529	0.4
186.99138	0.7
192.06479	0.8
192.10135	1.3
198.04634	0.4
210.07889	2.6
210.11224	21.2
210.14638	0.6
210.15434	0.8
210.56300	0.4
211.05843	0.4
211.11659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05494	0.8
56.05031	0.3
56.96563	2.6
57.03418	0.7
60.04497	0.7
62.06073	0.4
67.05489	1.1
69.03411	1.1
69.07056	4.5
69.17765	0.3
70.06566	0.8
70.24599	1.5
71.04968	0.7
72.04488	1.1
72.08137	0.5
73.02893	0.8
74.06087	0.4
79.05482	2.2
81.03405	0.5
81.07053	0.5
83.04971	0.5
84.04492	0.3
84.08130	1.4
84.96018	0.3
85.02897	0.9
86.09698	0.4
91.05459	4.1
93.07030	0.8
95.01335	0.4
95.04944	1.5
95.08556	0.4
96.04466	0.3
97.02877	0.9
97.06474	0.6
98.97594	1.4
99.04436	0.3
101.05993	0.3
103.05446	4.3
105.02085	0.3
105.07014	6.3
107.04941	3.1
108.08140	0.3
109.02844	0.3
109.06515	0.5
111.04421	0.5
112.07581	0.3
115.03876	0.4
116.98586	0.9
117.05711	1.2
117.07001	2.9
118.05029	0.3
118.06540	3.0
119.01801	0.4
119.07312	4.8
119.08537	0.6
120.08087	6.8
120.08946	0.3
121.06484	1.3
122.06020	0.4
123.04406	0.7
125.05981	0.3
127.03911	0.4
128.06206	0.9
129.06975	4.6
130.06465	0.5
131.04884	1.8
131.07268	1.4
134.99605	0.5
136.07565	1.0
137.05952	1.3
144.08055	1.2
146.09630	6.9
148.98895	0.4
149.01288	0.5
149.05977	0.6
150.05402	0.5
150.06473	0.3
151.04045	0.4
154.08566	0.5
156.01743	0.3
158.99585	0.3
161.94566	0.3
163.97713	1.0
164.10687	100.0
165.11037	1.1
167.07051	2.0
168.06639	0.3
177.00671	0.5
178.05835	0.7
181.98735	0.7
182.03400	0.3
182.08044	3.5
183.06529	0.4
186.99138	0.7
192.06479	0.8
192.10135	1.3
198.04634	0.4
210.07889	2.6
210.11224	21.2
210.14638	0.6
210.15434	0.8
210.56300	0.4
211.05843	0.4
211.11659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	5.3
53.88539	1.9
55.01854	7.7
55.05506	91.0
57.07053	2.9
57.74657	1.9
59.04994	4.9
65.03931	5.6
67.05484	8.3
69.03418	5.1
69.07053	10.1
71.04991	9.6
71.13063	2.4
71.13412	4.5
75.04453	3.9
78.04673	4.5
79.05489	10.3
81.07047	14.0
82.06561	4.2
83.04971	80.1
83.08611	52.6
85.02877	8.0
85.06517	6.7
87.11790	2.1
89.03894	3.0
91.05477	24.5
93.03378	11.2
93.07025	21.3
95.04959	100.0
95.08588	10.3
97.06509	10.5
97.10137	8.2
98.09686	1.9
99.04445	18.8
100.07589	4.8
100.11245	17.3
103.05463	10.5
104.60287	2.0
105.07010	5.5
106.04165	31.7
107.04929	4.9
107.08570	28.7
109.06528	14.9
109.10128	25.9
111.04431	5.4
111.08078	15.0
116.40218	1.9
117.03369	3.5
119.04926	3.5
119.08566	4.4
121.05699	3.3
121.06500	37.8
121.10119	15.5
123.04430	2.4
123.08069	4.8
123.11677	10.3
125.05952	8.2
125.09628	18.5
128.07063	5.1
131.04901	3.3
131.08487	5.0
133.10095	16.0
134.03598	3.9
135.04433	2.4
135.08032	5.9
135.11691	3.0
137.05988	4.0
137.09595	4.0
139.07567	3.2
139.08627	2.5
145.02814	2.8
145.10056	2.4
147.04402	2.1
147.11684	3.1
148.05202	6.0
149.05971	50.4
149.09583	4.1
149.13235	11.8
150.06345	2.3
151.07501	3.1
151.11166	58.3
153.05403	3.0
153.09090	41.3
163.07541	3.9
163.14871	2.0
165.12779	3.7
167.14299	85.5
173.13255	8.5
177.05475	24.9
181.08649	14.6
182.15381	19.3
191.07076	4.2
191.10648	2.7
191.14262	8.7
192.13863	2.3
198.82362	2.2
209.08084	17.1
209.11696	6.6
209.15216	54.5
209.18335	2.3
210.14919	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.19165	0.8
53.03948	1.0
55.01849	3.6
55.05499	7.0
57.03422	0.9
57.07072	4.0
65.03917	1.4
67.05497	6.9
69.03413	2.2
69.07067	4.3
71.04987	4.0
71.12186	1.7
71.12569	1.3
72.08139	1.1
75.04484	1.0
79.05487	7.5
81.06595	1.3
81.07047	13.9
83.04967	5.5
83.08609	3.5
85.02895	1.4
85.06525	2.0
91.05464	8.5
93.03399	2.1
93.07022	8.7
95.04954	10.4
95.08588	7.0
97.06519	2.6
99.04414	2.1
103.05466	2.6
105.07017	5.4
106.04175	5.9
107.04925	1.6
107.08575	24.8
109.06503	100.0
109.10139	16.3
110.06866	1.4
111.08072	2.8
114.10258	2.2
115.07513	0.9
117.07005	2.0
119.04895	1.0
119.08583	1.9
119.74178	0.8
121.06488	9.4
121.10127	10.2
122.07309	1.3
122.09624	0.9
123.08067	9.5
123.11684	1.9
125.05966	2.4
125.09597	2.2
131.08551	8.5
133.09155	1.4
133.10110	18.8
135.07016	1.7
135.08038	30.6
135.11688	2.5
137.09589	13.1
139.07556	1.2
143.08617	0.9
145.02853	1.5
145.10118	2.4
147.11685	2.6
148.05173	1.8
149.05977	8.8
149.09627	3.6
149.13248	4.6
150.10333	1.4
150.12755	1.1
151.11125	6.3
153.05341	1.1
153.09044	6.8
158.10849	1.9
163.11176	1.1
163.14813	2.9
166.06236	1.1
167.14276	5.8
173.13280	9.1
177.05473	4.8
181.08568	2.7
191.07028	1.4
191.14282	28.4
192.14766	1.4
206.65408	0.7
209.08078	4.1
209.15338	14.1
209.17537	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.97592	1.4
53.03931	1.9
55.01854	2.6
55.05503	12.9
57.03405	1.7
57.07061	3.4
59.04983	3.4
59.15558	1.3
65.03931	2.9
67.05501	12.0
69.03416	13.2
69.07061	23.4
71.04979	7.9
71.18338	3.3
71.18680	1.9
79.05477	10.1
81.03396	1.8
81.06653	1.7
81.07049	17.3
83.04501	2.1
83.04971	31.0
83.08598	8.8
85.02873	2.0
85.06530	7.6
91.05457	16.0
93.03385	2.3
93.07034	21.0
95.04965	12.0
95.08594	46.2
96.56889	1.3
97.06516	16.4
97.10135	2.6
99.04413	3.7
99.08086	4.8
103.05450	3.2
105.07012	12.1
106.04156	7.8
107.04946	3.1
107.08577	59.6
107.53181	1.4
109.06499	23.4
109.10141	23.7
111.08083	9.3
113.05969	6.0
113.09611	1.8
117.06987	1.7
119.08575	6.9
121.06488	16.0
121.10120	38.6
123.08046	8.9
123.11674	7.0
125.05920	3.2
125.09616	17.6
127.07520	2.0
131.08560	10.2
133.10112	43.5
134.03613	1.7
135.08037	16.2
135.10750	2.3
135.11685	30.4
137.05925	1.8
137.09607	8.7
139.07539	2.2
139.11166	6.4
140.08272	2.8
143.08556	1.6
145.10078	5.9
147.11673	11.3
149.05978	12.9
149.09607	9.8
149.13235	27.3
151.11159	100.0
152.11438	3.0
153.09084	16.1
158.10892	4.2
163.11194	1.9
163.14798	16.5
167.10643	3.7
167.14291	3.4
173.13251	28.4
177.05507	6.8
181.08611	3.3
191.14284	82.9
192.14659	1.7
209.04488	2.1
209.08049	6.5
209.15337	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.24102	2.3
51.99685	2.4
53.03939	3.6
55.01872	3.1
55.05502	97.4
57.03418	3.5
59.04970	3.3
63.72234	2.3
67.05495	13.1
69.03391	9.3
69.07055	7.7
70.96212	5.4
70.96537	2.4
71.04967	2.4
71.31182	2.1
79.05460	6.3
81.07045	15.2
83.04966	88.9
83.08157	4.3
83.08606	55.9
85.06527	2.9
91.05459	9.4
93.03379	3.5
93.07026	18.1
95.04948	37.4
95.08575	9.2
97.06506	13.5
97.10153	9.2
99.04440	5.6
103.05456	3.9
105.06960	11.0
106.04160	9.7
107.08568	32.9
109.06493	30.6
109.10137	30.8
111.08042	10.9
113.09595	2.3
117.27335	2.5
119.08532	4.0
119.10315	2.4
121.06471	10.5
121.10120	44.0
122.10450	2.5
123.08054	3.6
123.11678	15.3
125.09618	17.0
131.08543	5.1
133.10098	15.2
135.08029	3.9
135.11647	3.5
148.05144	4.4
149.05952	16.8
149.09694	2.3
149.13240	11.2
151.11143	60.9
153.09114	20.1
156.72697	2.4
158.10835	2.5
163.14813	8.9
166.06241	2.2
167.14291	100.0
168.74522	2.8
170.61845	2.3
173.13232	7.3
177.05376	14.6
181.08463	2.7
191.14282	9.5
194.05742	2.9
209.04402	2.4
209.08058	13.1
209.15340	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03920	2.2
55.01840	1.4
55.05501	21.2
57.03413	1.7
57.07073	4.6
59.04985	1.6
59.07927	0.9
63.31146	0.8
67.05487	9.4
69.03399	2.4
69.07060	5.7
70.93980	2.1
70.94326	1.2
71.04958	4.6
79.05480	7.4
81.07040	17.1
83.04967	52.6
83.08609	10.7
83.63700	0.9
85.06521	3.3
91.05445	5.9
92.92820	1.0
93.07018	11.1
95.04951	31.8
95.08587	15.0
97.06510	14.5
97.10101	1.0
99.04449	5.6
99.08041	0.9
103.05453	1.3
105.07006	9.8
106.04128	3.7
107.04960	1.0
107.07899	1.4
107.08570	18.3
109.06499	100.0
109.10139	22.1
110.06806	1.2
111.08057	7.2
113.05981	1.3
113.09628	2.8
117.06951	1.2
119.08527	5.0
121.06502	4.3
121.10118	16.2
122.19017	0.9
123.08049	9.8
123.11682	2.9
125.05977	1.2
125.09568	5.5
131.08554	6.6
133.10104	25.6
135.08040	19.6
135.11671	2.3
143.08534	1.7
145.10110	2.5
147.11659	3.0
149.05930	4.7
149.09583	3.8
149.13228	9.2
151.11145	9.9
152.98212	1.2
153.09079	19.7
158.10826	1.8
163.14774	3.0
167.03040	1.0
167.14301	14.7
173.13246	13.8
176.11972	0.9
177.05478	1.9
191.14264	23.6
209.08044	2.7
209.15327	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	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03917	3.2
55.01851	5.9
55.05503	92.4
56.15700	1.3
57.03417	2.1
57.07064	1.8
58.56448	1.4
59.04978	4.1
67.05500	8.6
69.03423	7.8
69.07058	6.6
70.12838	5.1
70.13251	2.2
71.04961	2.8
72.50420	1.2
78.04683	1.4
79.05465	4.4
81.07040	12.1
83.04965	86.3
83.08604	53.5
85.06509	4.3
91.05455	8.1
93.03373	3.2
93.07025	17.5
95.04947	12.9
95.08611	8.0
97.06499	9.0
97.10145	10.7
98.20708	1.6
99.04424	2.4
99.08095	1.8
103.05457	3.6
105.06992	6.2
105.36042	1.4
106.04165	7.8
107.04916	4.5
107.08573	25.6
109.06493	14.1
109.10136	28.9
111.04423	2.0
111.08074	12.5
113.09638	2.2
119.08588	2.1
121.06477	12.2
121.10126	16.9
123.08056	3.2
123.11705	13.0
125.05968	2.1
125.09627	13.2
131.04901	3.3
131.08505	2.8
133.10101	8.3
134.03664	3.1
135.08028	3.0
137.05949	1.8
137.09572	1.3
138.06635	1.6
139.07596	1.4
145.10141	2.0
147.04399	2.0
148.05177	2.8
149.05991	14.3
149.09564	2.3
149.13206	9.3
151.11159	61.1
153.09109	7.1
159.04417	1.3
163.14796	4.8
167.07111	1.4
167.14294	100.0
168.14636	1.7
173.13234	4.3
177.05415	14.0
181.08551	3.6
191.06961	2.4
191.14191	6.2
192.97775	1.3
194.05678	2.8
209.04459	1.7
209.08044	16.5
209.09853	2.1
209.15335	50.7
210.15559	1.8
229.13901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.26030	1.5
53.03922	3.0
55.01851	2.9
55.05500	89.7
57.03418	2.9
57.07058	2.3
59.04965	4.4
64.20011	1.3
65.03909	2.6
67.05482	10.9
69.03410	7.4
69.07040	6.0
71.04969	4.5
71.12045	1.8
71.12389	2.9
72.51463	1.4
73.39262	1.2
79.05461	5.4
81.07038	18.0
83.04962	92.4
83.08603	50.8
85.06528	2.7
91.05460	8.9
93.03363	2.3
93.07025	19.9
95.04383	2.4
95.04949	25.5
95.08574	12.7
97.06525	13.2
97.10139	10.3
99.04424	4.4
103.05443	4.1
105.07015	9.4
106.04120	8.8
107.08570	29.5
109.05827	2.0
109.06503	26.2
109.10137	30.0
110.10459	1.9
111.04435	1.8
111.08070	12.9
119.08516	2.9
121.06474	11.6
121.10124	42.1
123.08051	4.0
123.11663	12.0
125.05968	3.3
125.09599	15.8
131.04886	2.3
131.08498	3.1
133.10103	16.4
134.03600	2.0
135.07993	5.1
135.11647	2.3
137.05948	1.3
143.96007	1.5
148.05199	2.2
149.05962	14.0
149.09593	1.5
149.13200	10.8
151.11151	61.3
153.09052	13.3
155.10602	1.4
163.07431	1.6
163.11075	1.4
163.14757	6.3
166.06233	1.4
167.07007	1.6
167.14284	100.0
168.14551	2.2
173.13278	6.6
177.05420	9.7
181.08571	2.4
191.14272	10.3
194.05678	2.7
209.08070	12.3
209.15320	55.5
210.15700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.21418	0.4
53.03945	1.8
55.01867	3.2
55.05499	4.5
57.03425	1.0
57.07064	4.5
59.04995	1.0
65.03939	1.8
65.09672	0.4
67.05493	5.4
69.03430	1.4
69.07050	2.4
69.49300	3.3
69.49727	1.5
71.04977	3.0
75.04476	1.0
76.11871	0.4
78.04695	1.6
79.05481	5.5
81.03408	0.8
81.07045	7.4
83.04969	4.2
83.08604	2.0
84.33483	0.4
85.02881	1.8
85.06533	1.4
89.03922	0.7
91.05470	9.2
93.03387	3.5
93.07034	10.4
95.04957	8.5
95.08598	7.3
97.06534	2.7
97.10175	1.0
99.04459	1.2
99.08091	0.8
103.05458	3.5
105.07017	6.0
105.55373	0.4
106.04163	9.6
107.04953	0.9
107.07916	0.3
107.08576	10.9
109.06504	100.0
109.10139	14.3
110.06837	1.3
111.04404	1.1
111.08078	3.0
113.09632	0.6
116.06248	0.5
117.03353	0.9
117.06983	2.0
119.04931	0.7
119.08565	2.2
121.06493	12.9
121.10141	6.0
123.04425	0.8
123.08054	9.8
123.11668	1.1
124.05171	0.5
125.05976	2.8
125.09579	2.0
129.06979	0.8
131.04906	1.4
131.08562	6.3
133.06567	0.5
133.10107	6.8
134.03596	2.0
135.04402	0.7
135.08040	27.1
135.11646	3.3
137.05948	1.7
137.09587	3.4
138.06728	1.0
139.07547	2.0
139.11145	0.5
143.08559	0.7
145.02841	1.3
145.10074	2.8
147.11668	2.2
148.05142	1.3
148.08778	0.4
149.05962	15.0
149.09605	4.3
149.13232	3.0
150.06331	0.6
150.10349	0.9
151.03938	0.6
151.07613	0.7
151.11168	3.9
153.05476	1.1
153.09085	7.2
158.10925	1.1
160.49321	0.4
163.07544	1.0
163.11162	2.5
163.14787	1.2
165.12730	1.1
166.06267	0.6
167.06982	0.8
167.14273	3.5
173.13258	8.0
177.05472	8.6
181.08659	2.7
191.07018	1.6
191.10674	2.2
191.14282	24.6
192.14568	1.2
209.04449	1.1
209.08134	4.4
209.11710	2.6
209.13315	0.9
209.15315	14.1
209.18878	0.5
226.77621	0.4
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
52.23174	0.4
53.03939	1.6
55.01870	3.3
55.05503	11.6
57.03438	1.0
57.07069	4.6
59.04994	1.4
61.73724	0.4
65.03937	1.3
67.05495	5.9
69.03418	2.0
69.07049	3.5
69.63239	0.4
69.91003	1.7
69.91441	1.4
71.04980	4.6
75.04456	1.3
78.04713	1.3
79.05484	6.4
80.72571	0.4
81.03405	0.5
81.07040	7.6
83.04491	0.9
83.04968	10.9
83.08608	6.9
85.02896	2.4
85.06526	1.5
89.03902	0.8
91.05464	8.5
93.03397	3.4
93.07033	8.1
95.04953	10.3
95.08590	6.7
97.06535	2.6
97.10143	1.2
98.21458	0.5
99.04443	1.7
99.08076	0.9
103.05457	3.1
105.07009	5.8
106.04156	8.1
107.04964	0.8
107.08578	11.9
109.06503	100.0
109.10139	16.6
109.10863	1.0
110.06816	1.0
111.04372	0.6
111.08084	4.2
113.09634	0.7
115.05479	0.5
117.03385	0.9
117.07017	2.3
119.04927	0.7
119.06065	0.5
119.08558	2.8
121.06483	10.2
121.10118	6.5
123.04453	0.7
123.08056	10.4
123.11711	2.5
125.05985	2.6
125.09621	3.1
131.04926	0.7
131.08566	7.7
133.06482	1.0
133.10097	5.3
134.03610	1.5
135.04411	0.5
135.08035	27.8
135.11656	1.6
136.08298	0.6
137.05986	1.9
137.09592	0.9
138.06746	0.6
139.07506	1.2
139.11171	0.8
143.08487	0.5
145.02840	1.3
145.10088	2.6
147.11671	4.8
148.05159	0.5
148.08788	0.4
149.04840	0.8
149.05963	12.3
149.09613	3.6
149.13246	5.2
150.10408	1.4
151.11153	8.8
153.05484	0.9
153.09090	7.1
158.10905	1.5
161.09607	0.8
163.07550	0.7
163.11185	1.5
163.14824	1.0
165.12721	5.1
166.06332	0.6
167.07001	0.8
167.14294	11.6
173.13237	8.6
176.04752	0.5
176.11954	0.6
177.05461	7.1
181.08583	3.1
191.06958	1.0
191.14290	30.0
192.14627	1.0
194.05827	0.7
197.25861	0.4
209.04422	0.6
209.08063	5.0
209.11714	0.8
209.15337	19.4
210.15465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.02378	0.5
53.03947	1.1
55.01861	4.6
55.05270	0.5
55.05508	7.5
55.56308	0.4
57.03415	1.5
57.07060	2.1
57.74702	0.4
59.04984	1.9
65.03909	2.9
67.05493	5.4
68.95511	0.4
69.03419	4.4
69.07063	5.4
70.06592	0.6
71.04940	4.7
74.99962	0.4
75.04459	1.6
77.03906	0.6
78.04689	1.7
79.05483	9.0
81.03420	2.3
81.06599	0.7
81.07050	9.5
83.04969	9.7
83.08610	4.9
85.02891	1.7
85.06522	2.1
89.03900	1.1
90.18929	0.4
90.44670	0.5
91.04910	0.8
91.05474	17.0
93.03396	4.2
93.06493	0.9
93.07032	12.2
95.04958	20.4
95.08596	9.3
95.95255	0.5
97.06527	5.5
97.10117	1.6
99.04440	3.0
99.08059	1.3
100.02447	0.8
101.83373	0.4
103.05460	6.0
104.06245	0.6
105.03387	0.8
105.04462	0.8
105.07025	7.6
106.04156	11.2
107.04948	10.6
107.08577	16.6
108.05706	1.0
109.02776	0.4
109.06506	24.1
109.10149	8.4
110.03636	1.0
111.04415	2.4
111.08064	3.1
112.11996	0.4
112.47921	0.5
113.05998	2.5
115.05435	2.2
116.06221	0.5
117.03301	0.7
117.06998	4.0
119.04926	6.9
119.08566	5.0
120.05735	0.9
120.56834	0.4
121.02867	0.7
121.06493	25.7
121.10129	10.8
121.56216	0.4
123.04437	2.5
123.08041	7.4
123.11696	3.2
125.05962	4.3
125.09586	4.6
131.04919	5.1
131.08580	3.2
133.02863	3.3
133.06482	3.4
133.09164	0.8
133.10124	11.6
134.03615	2.3
134.07254	1.5
135.04391	2.0
135.08046	18.3
135.11685	6.3
136.05212	3.9
137.05975	4.5
137.09608	4.6
137.13199	0.7
138.06746	2.4
139.03944	0.6
139.07530	4.2
139.11156	1.0
145.02853	1.5
145.06462	1.8
145.10123	2.2
146.07291	3.4
147.04393	11.5
147.08040	6.8
147.11668	4.0
148.05182	6.3
148.08765	1.1
149.05962	20.6
149.09604	6.4
149.13248	6.5
150.06367	0.5
151.03880	2.1
151.07532	17.7
151.11150	8.9
152.04684	0.7
152.08221	1.4
153.05441	10.1
153.09081	9.7
154.06236	1.7
158.10889	0.8
159.08025	0.6
161.05945	2.5
162.05402	0.5
162.06741	9.5
163.07529	16.5
163.11154	2.3
163.14786	2.4
164.08163	1.1
165.05461	9.0
165.09061	1.0
165.12740	20.0
166.06259	13.0
167.06952	0.9
167.10677	0.8
167.14337	6.2
168.07803	21.4
169.08504	1.8
173.13257	5.4
176.08284	0.5
177.05479	9.1
177.09087	10.0
178.09869	35.8
179.07018	19.0
179.08640	0.9
179.10423	2.7
180.07411	0.6
181.08578	56.8
182.08913	1.4
191.07008	2.1
191.10608	1.2
191.14290	14.0
194.09364	44.7
195.09824	1.0
196.88896	0.5
209.04427	1.6
209.08072	8.1
209.11707	100.0
209.15205	23.4
210.11934	2.0
221.28979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03924	8.4
55.01872	13.2
55.05505	13.0
57.03441	3.1
57.07067	13.4
65.03925	10.7
67.05492	12.4
69.03421	51.4
69.07051	9.3
69.68237	15.9
71.04978	6.9
75.04457	8.5
78.04696	10.2
79.05482	13.0
81.03378	2.3
81.07043	19.2
83.04962	21.4
83.08611	12.6
85.02872	8.0
85.06512	9.6
86.09731	4.8
89.03895	6.7
91.05464	47.8
93.03387	24.3
93.07030	28.5
94.58226	1.9
95.04956	33.8
95.08604	12.5
97.06501	15.6
98.20702	5.0
99.04443	6.3
103.05453	20.7
105.03371	3.3
105.07010	12.6
106.04157	68.1
107.04955	11.0
107.08569	34.5
108.05743	2.2
109.06506	51.1
109.10113	10.6
110.07127	8.4
111.04406	3.3
111.08052	8.5
113.32668	2.4
115.05459	4.0
117.03377	3.8
119.04923	4.1
119.08579	8.0
121.06492	81.2
121.10122	23.9
123.04398	4.2
123.08047	9.3
123.11681	9.8
124.05174	2.4
125.05992	17.8
125.09611	40.3
131.04909	9.3
131.08543	15.3
133.10130	11.4
134.03598	9.3
135.04399	5.6
135.08040	19.2
135.11641	7.7
137.05919	15.2
138.06737	2.1
139.07544	6.3
145.02760	2.9
145.10095	6.7
147.04379	3.3
147.11668	5.2
148.05185	16.8
149.05959	100.0
149.09579	17.7
149.13228	7.5
151.03882	2.8
151.07529	3.2
151.11157	14.3
153.05476	7.0
153.09079	37.5
158.10947	3.7
159.04454	3.5
163.07486	4.3
163.11195	5.8
163.14781	4.7
165.06998	2.7
165.12770	4.1
167.07072	2.3
167.14305	14.2
173.13237	19.7
176.04620	3.3
177.05461	47.1
181.06425	5.0
181.08559	22.4
181.10066	3.6
191.06960	7.6
191.08598	4.8
191.10522	5.1
191.14279	67.0
194.00317	2.8
194.05670	9.0
194.07286	8.5
209.02684	2.8
209.04434	5.1
209.07971	40.4
209.09668	11.3
209.11574	5.0
209.15356	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	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.01853	2.1
55.05490	8.2
56.02402	1.9
57.03416	3.3
57.07066	5.6
67.05485	12.2
69.07050	10.6
71.04977	3.2
71.79708	3.0
78.42764	2.2
79.05452	11.3
79.46363	2.1
81.07041	20.7
83.04970	3.6
83.08611	6.0
85.06532	6.7
91.05470	16.7
93.07028	29.7
95.04939	4.9
95.08589	39.4
97.06525	2.7
99.04418	2.6
105.07007	30.5
107.04955	2.1
107.08581	59.9
109.06487	6.8
109.10140	15.5
111.08097	2.8
115.96408	4.3
119.08572	52.9
120.08044	2.9
121.10127	14.2
122.44862	2.3
123.08083	11.4
123.11692	9.7
131.08537	3.9
133.10112	47.6
133.97455	4.6
135.11673	92.4
136.11974	3.5
137.09601	11.2
137.13202	3.2
145.10086	5.5
147.04382	4.8
147.08055	3.3
147.11667	38.8
149.09592	5.1
149.13234	9.3
151.07538	5.8
151.11217	13.4
159.11620	2.1
160.87946	2.1
161.09659	3.6
161.13245	13.7
163.14803	11.9
165.09109	3.2
165.12746	2.7
174.03273	2.3
175.03860	3.5
176.58656	2.1
189.07356	3.0
189.09021	3.1
189.12726	6.6
189.16370	100.0
190.16733	2.9
192.04129	3.6
192.09193	2.6
207.06522	23.7
207.08253	4.9
207.09946	4.2
207.11876	4.2
207.13696	13.9
207.17433	67.5
208.06505	2.3
208.09639	9.2
208.13145	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	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03959	2.2
55.05495	7.6
57.03409	3.5
57.07071	3.7
67.05486	6.4
69.03408	3.2
69.07069	10.9
71.04979	2.2
71.79691	1.4
71.80100	2.4
79.05478	7.8
81.07049	24.1
81.30862	1.5
83.04943	2.6
83.08601	4.7
85.06517	5.4
88.02171	1.5
91.05473	14.4
93.07031	30.2
95.04929	2.8
95.07989	2.3
95.08595	35.3
97.06530	2.0
99.04442	2.3
100.21591	1.5
105.07014	24.3
107.08580	56.6
109.06485	3.8
109.10152	11.5
111.08051	2.6
115.96420	2.3
119.04949	2.2
119.08571	38.5
120.08076	2.3
121.06423	1.6
121.10126	14.6
123.08054	9.6
123.11690	8.4
131.06859	1.9
133.09149	3.1
133.10106	43.8
135.11676	88.5
136.12048	1.9
137.09583	9.5
137.13231	2.0
145.10071	3.3
147.04362	2.8
147.11674	35.2
148.12050	1.4
149.09595	4.1
149.13261	10.4
151.07487	2.6
151.10095	2.4
151.11130	11.9
159.11630	1.8
160.12416	2.2
161.09575	1.9
161.13231	5.7
163.14789	19.9
165.05461	1.7
165.12766	2.0
189.07468	2.1
189.09151	1.7
189.16365	100.0
190.16681	4.1
207.06520	10.4
207.08284	2.4
207.09964	2.5
207.13794	6.6
207.17416	73.9
208.09642	4.5
208.13365	2.8
208.17863	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	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
54.78441	1.0
55.05503	6.2
57.03417	3.6
57.07069	2.3
65.03970	1.1
67.05489	7.8
69.03410	1.2
69.07063	9.3
70.84457	3.1
71.04968	1.6
73.56176	0.8
79.05484	8.2
81.07044	13.8
83.04953	2.5
83.08601	3.0
84.08935	1.0
85.06552	5.3
91.05463	9.9
93.07030	24.1
95.04958	1.7
95.08596	26.4
97.06493	2.0
97.10108	1.0
104.38025	1.0
105.07014	23.3
107.08579	50.4
109.06507	3.9
109.10128	10.5
111.08076	2.5
115.80800	0.8
117.07011	1.2
119.04945	2.2
119.08566	37.9
121.06454	1.1
121.10150	11.0
122.45935	0.9
123.08064	7.8
123.10909	1.2
123.11680	6.9
130.94521	0.8
131.08557	2.6
133.10118	40.7
135.11678	82.6
136.11993	1.4
137.09608	7.3
143.08501	0.9
145.10077	2.7
147.10555	1.7
147.11670	28.1
149.09596	2.1
149.13234	7.9
151.07506	1.5
151.11160	10.9
159.11678	1.0
159.79297	0.9
160.12544	1.2
161.09619	1.8
161.13228	7.0
162.78343	0.8
163.14786	13.8
165.09064	1.3
165.12737	2.3
171.11649	1.2
174.14050	1.4
175.03912	0.9
189.09094	2.9
189.12756	3.2
189.16370	100.0
190.16692	2.6
192.09320	0.8
207.06508	8.6
207.08302	1.9
207.09981	1.5
207.11865	2.0
207.13832	3.7
207.17429	65.6
208.09708	1.9
208.17703	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	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03931	1.0
54.25031	0.8
55.05503	6.8
57.03419	3.0
57.07059	4.0
67.05489	8.5
69.03403	1.7
69.07057	8.6
71.04961	2.7
71.14739	2.0
71.15121	1.8
79.05479	7.5
81.07042	16.3
83.04958	2.5
83.08615	3.2
84.84442	1.1
85.03385	1.0
85.06534	5.5
91.05457	10.3
93.06494	1.8
93.07031	27.1
95.04935	3.4
95.08593	30.1
97.06517	1.2
99.04430	1.5
105.07012	23.5
107.08575	49.5
107.09315	2.3
109.06487	4.1
109.10139	11.4
111.08071	2.8
113.09599	1.6
115.96409	2.5
117.07037	1.7
119.04910	1.7
119.08570	39.3
121.10115	9.4
123.08054	6.9
123.11692	6.8
127.07545	1.3
131.08534	5.5
133.10109	44.1
133.97462	1.6
135.11670	89.0
135.66463	1.1
136.11940	1.5
137.09608	8.6
145.10089	3.5
146.10944	1.4
147.04385	2.2
147.11661	34.3
148.11931	1.2
149.09567	2.3
149.13237	12.1
151.11159	11.7
161.09576	5.1
161.13246	7.8
163.03835	1.2
163.14806	14.2
165.12718	3.3
165.16376	1.2
189.09076	3.8
189.16360	100.0
190.16718	2.8
192.04326	1.1
207.06503	12.3
207.08299	1.5
207.10031	2.9
207.13797	5.4
207.17418	67.9
208.09721	2.8
208.17664	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	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.59460	2.6
55.05504	8.4
57.03421	3.8
57.07068	3.2
59.05000	4.2
67.05478	11.8
68.22318	3.0
69.03452	3.6
69.07047	7.7
69.56029	7.3
69.56429	28.0
71.04964	3.6
75.08356	2.8
79.05477	11.4
81.07045	24.5
81.74135	2.8
83.04943	5.3
83.08596	3.2
85.06513	6.3
91.05462	9.2
93.07030	30.7
95.08607	42.4
105.07003	29.7
107.08585	52.1
107.09243	5.5
109.06511	5.6
109.10135	17.3
117.04424	3.6
117.05670	3.2
119.08571	46.0
121.10149	24.8
123.08056	11.8
123.11680	11.4
133.10114	47.6
135.11679	100.0
136.12025	3.4
137.09592	13.7
145.10162	4.2
147.11674	33.1
149.09607	6.2
149.13260	8.6
151.11188	13.4
161.13245	6.9
163.14796	13.7
165.12723	5.9
189.16376	93.7
207.06520	26.6
207.09680	11.2
207.13889	9.8
207.17441	69.8
208.09654	7.9
208.13120	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	207.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23031	0.5
50.34705	0.5
53.03942	0.7
53.23987	0.7
55.01862	0.8
55.05500	2.4
57.07076	1.8
59.04984	0.7
67.05498	4.9
69.03430	1.3
69.07056	2.8
70.08690	1.5
70.09104	2.4
71.04971	1.5
79.05481	2.9
80.38634	0.6
81.07046	13.1
83.04998	1.2
85.02892	100.0
85.06536	2.0
91.05466	16.0
93.07024	4.0
95.04959	2.2
95.08595	4.1
103.05495	0.6
105.07025	15.8
107.04964	1.2
107.08578	6.6
109.06493	5.9
109.10155	12.6
111.04452	1.6
117.07027	1.7
119.04929	11.4
119.08563	16.5
121.06445	1.0
121.10120	9.3
123.08058	5.4
123.11691	61.0
125.05963	9.7
128.06187	0.8
129.07027	1.0
130.07790	1.7
131.08557	4.3
133.06462	1.6
133.10112	1.4
137.09619	1.2
141.05423	0.9
143.08543	1.4
145.10118	8.7
146.10977	1.0
147.04402	9.4
147.08046	4.9
147.11667	21.0
149.02313	1.3
149.09590	13.8
151.07526	5.0
156.09300	3.6
159.08025	1.5
161.09543	0.8
161.13196	1.6
163.11162	1.8
164.04567	0.8
165.12758	4.1
169.08574	1.2
171.11687	3.9
174.03105	0.6
174.10371	1.6
175.03882	13.3
176.04326	1.1
179.06970	1.3
189.12709	12.2
192.04140	1.8
207.06480	9.3
207.13779	51.9
208.14030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.23031	0.5
50.34705	0.5
53.03942	0.7
53.23987	0.7
55.01862	0.8
55.05500	2.4
57.07076	1.8
59.04984	0.7
67.05498	4.9
69.03430	1.3
69.07056	2.8
70.08690	1.5
70.09104	2.4
71.04971	1.5
79.05481	2.9
80.38634	0.6
81.07046	13.1
83.04998	1.2
85.02892	100.0
85.06536	2.0
91.05466	16.0
93.07024	4.0
95.04959	2.2
95.08595	4.1
103.05495	0.6
105.07025	15.8
107.04964	1.2
107.08578	6.6
109.06493	5.9
109.10155	12.6
111.04452	1.6
117.07027	1.7
119.04929	11.4
119.08563	16.5
121.06445	1.0
121.10120	9.3
123.08058	5.4
123.11691	61.0
125.05963	9.7
128.06187	0.8
129.07027	1.0
130.07790	1.7
131.08557	4.3
133.06462	1.6
133.10112	1.4
137.09619	1.2
141.05423	0.9
143.08543	1.4
145.10118	8.7
146.10977	1.0
147.04402	9.4
147.08046	4.9
147.11667	21.0
149.02313	1.3
149.09590	13.8
151.07526	5.0
156.09300	3.6
159.08025	1.5
161.09543	0.8
161.13196	1.6
163.11162	1.8
164.04567	0.8
165.12758	4.1
169.08574	1.2
171.11687	3.9
174.03105	0.6
174.10371	1.6
175.03882	13.3
176.04326	1.1
179.06970	1.3
189.12709	12.2
192.04140	1.8
207.06480	9.3
207.13779	51.9
208.14030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02352	2.1
53.03934	8.5
55.01855	1.6
55.05497	11.4
60.50219	1.2
65.03918	1.9
66.88287	1.2
67.05490	32.3
69.03432	1.7
69.07056	9.4
70.31316	5.8
71.04962	2.9
73.06528	2.9
79.05478	48.8
81.03388	4.1
81.06597	1.7
81.07034	26.9
83.04948	5.3
83.08589	4.1
85.02892	3.2
85.06506	2.8
91.05458	62.9
93.07024	100.0
94.07344	1.2
95.04392	1.4
95.04953	17.8
95.08582	14.0
97.06523	1.9
97.10140	1.9
103.05441	2.2
105.04530	2.3
105.07008	30.9
107.04905	2.6
107.08580	17.8
109.06494	5.6
109.10132	3.6
111.13256	1.1
117.06983	4.5
118.04084	2.4
119.04925	15.2
119.08556	17.7
121.06459	3.2
121.10116	4.4
123.08028	7.0
123.11650	2.7
127.07530	2.3
128.06227	1.7
129.06961	12.7
131.08498	1.9
133.06442	1.6
133.10101	9.5
135.11667	2.1
136.05145	1.9
137.06013	1.4
137.09523	2.2
143.08521	6.2
145.10120	8.7
146.03592	2.5
147.04369	13.3
147.08037	2.2
147.11656	51.5
148.11900	1.3
149.02306	4.3
149.09564	2.7
151.07495	2.8
161.08147	1.4
161.09563	5.2
161.13228	13.3
163.03917	2.3
163.11206	1.5
164.04680	4.3
165.05264	1.3
165.12703	2.7
166.17259	1.3
171.11658	24.0
174.03125	2.8
175.03860	13.3
179.06990	4.2
189.09100	1.4
189.12723	15.1
189.16290	3.3
192.04076	5.9
207.06479	33.0
207.08038	1.4
207.10098	5.6
207.13747	38.7
207.17366	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	207.1012
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
55.01860	0.3
55.05487	0.5
57.03423	0.2
57.33237	0.1
57.65555	0.1
65.03931	0.2
67.05481	0.4
69.03406	0.4
69.07047	0.2
71.04980	0.2
71.79169	0.2
79.05474	0.4
81.03397	0.3
81.07040	0.7
83.01312	0.4
83.04962	0.5
85.02877	0.4
91.05456	2.6
93.07024	0.9
95.04950	0.9
95.08584	1.0
97.02876	0.3
99.04411	0.1
103.05431	0.3
105.03349	0.1
105.07014	1.9
107.04924	0.2
107.08585	0.9
109.02867	0.2
109.06472	0.5
109.07999	0.1
109.10126	0.3
111.04429	0.4
111.08087	0.2
115.05443	0.2
117.06960	0.2
118.04156	0.1
119.04937	1.7
119.08557	1.4
121.02812	0.2
121.06486	0.5
121.10103	0.6
123.04403	0.3
123.08046	0.9
123.11664	0.3
128.06204	0.8
129.06981	0.2
130.06525	0.1
131.08527	0.3
133.06459	0.5
133.10103	1.2
135.04353	0.2
135.08064	0.2
135.11649	0.4
137.05954	3.1
137.09578	0.3
143.08524	2.3
145.06467	0.2
145.10094	0.5
146.03601	0.4
146.07262	0.4
147.04391	1.9
147.08022	0.9
147.11650	1.5
149.02342	0.7
149.05974	0.2
149.08556	0.1
149.09576	0.7
149.13242	0.2
151.03882	0.5
151.07501	1.1
161.05960	0.6
161.09592	1.8
161.13252	0.5
163.03879	0.2
163.07504	0.3
164.04643	1.2
165.05449	0.4
165.09073	0.4
165.12733	1.4
171.06616	0.2
171.07956	0.9
171.11629	0.1
172.00482	0.1
174.03123	0.3
174.06738	5.4
175.03874	1.5
177.05406	1.0
177.09042	0.4
178.06091	0.2
179.07040	1.0
179.10606	0.2
189.05435	0.3
189.07535	0.2
189.09070	4.4
189.12700	0.4
189.16307	0.6
190.06166	0.2
190.09477	0.1
191.06938	0.6
192.04222	0.6
192.07784	2.8
192.09393	0.2
193.04597	0.1
205.08566	0.7
207.06522	5.6
207.10124	100.0
208.07109	0.1
208.10475	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	207.065
Annotation	Scoparone
Peak:m/z	Relative Intensity
51.02362	0.8
53.03925	1.8
53.40253	0.6
55.01856	1.8
55.05490	1.5
56.96545	0.8
57.03418	1.2
65.03941	5.0
66.68418	0.6
67.05502	3.3
68.99766	1.1
69.03407	1.6
69.07059	4.5
70.92458	2.1
71.04986	1.5
77.03905	2.2
78.04716	0.8
79.05500	4.3
80.06255	0.6
81.03394	2.3
81.07051	9.2
81.82996	0.6
83.04955	1.3
83.08614	0.9
85.02909	4.5
85.06530	1.6
89.03896	2.4
90.04678	0.9
91.05473	62.0
92.05794	0.7
93.03393	1.2
93.07031	6.7
95.04959	5.8
95.08597	7.4
97.06516	1.0
98.84421	0.6
99.04433	0.8
102.54301	0.6
103.05471	4.2
105.03381	1.9
105.07033	8.2
106.04135	1.1
107.04950	1.9
107.08588	7.9
108.05711	3.2
109.02881	0.7
109.06513	3.9
109.10141	4.3
111.04462	1.0
114.80971	0.6
115.05420	0.8
115.96441	0.6
117.03352	1.0
117.06995	2.1
118.04146	4.4
119.04933	63.2
119.08567	8.0
121.02883	2.9
121.06489	4.8
121.10131	5.2
123.04418	3.4
123.08067	5.5
123.11726	3.2
125.09685	0.8
129.03331	1.0
129.06952	1.0
131.04927	1.4
131.08539	1.5
132.02063	4.2
133.02844	1.2
133.06490	2.6
133.10088	5.4
134.03624	1.3
135.04401	2.7
135.08034	1.7
135.11661	2.0
136.05173	8.1
137.05925	3.1
137.09575	2.6
143.08514	1.5
145.02876	1.3
145.06467	0.8
145.10121	1.1
146.03613	7.7
147.04398	52.8
147.08054	2.2
147.11688	6.4
148.04865	0.7
149.02338	15.0
149.05940	2.1
149.09584	4.9
149.13255	1.7
151.07527	11.1
156.09348	1.1
157.03928	3.0
161.05983	3.3
161.07863	0.8
161.09578	3.3
161.13229	3.9
162.03085	1.1
163.03902	6.1
163.07530	1.0
163.11185	1.8
164.04671	20.6
165.05412	1.4
165.09135	1.2
165.12775	3.4
171.11652	0.9
174.03116	6.3
175.03894	57.8
176.04254	1.2
176.08344	1.0
177.01817	1.6
177.05452	1.9
179.03476	0.7
179.07033	20.8
179.08640	1.0
189.05492	0.8
189.07433	1.0
189.09033	4.2
189.12782	4.5
189.16386	2.4
191.03381	1.5
192.04161	16.5
193.04681	0.6
207.06509	100.0
207.10124	4.0
207.13785	12.9
207.17398	3.9
208.06903	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	207.0648
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
55.01857	2.0
55.05497	1.4
56.96544	1.4
59.04992	0.7
65.03932	6.9
67.05470	2.3
67.23648	0.8
67.67721	0.7
68.99776	5.4
69.03407	2.2
69.07062	1.6
70.04049	2.2
70.04462	2.1
71.04993	4.1
77.03901	2.5
79.05474	6.6
80.39162	0.7
81.07043	4.3
83.04945	1.6
85.02905	4.9
87.00816	23.8
89.03889	3.4
90.04703	1.0
91.05465	99.2
92.05791	0.9
93.07018	7.2
95.04960	4.7
95.08587	4.3
97.06487	1.0
98.20756	1.0
99.04427	1.1
103.05449	15.4
105.03362	2.2
105.07014	11.4
107.04925	3.2
107.08571	7.8
108.05711	2.1
109.06493	3.9
109.10143	4.0
111.08056	0.8
115.05410	1.7
117.07000	2.0
118.04148	6.2
119.04922	100.0
119.08566	12.3
120.08119	1.2
121.02842	2.3
121.06489	23.7
121.10130	9.4
122.03593	1.4
123.04399	1.9
123.08045	5.7
123.11660	3.0
129.03357	1.6
129.06970	3.3
131.04881	1.8
131.08527	2.8
132.02042	7.6
133.02824	1.4
133.06512	3.7
133.10114	3.9
135.04387	3.7
135.08023	2.2
135.11636	1.2
136.05200	4.6
137.05994	1.8
137.09593	5.0
141.06822	0.8
143.08531	2.0
145.02823	2.6
145.06445	2.2
145.10083	4.1
146.03606	7.2
146.07231	1.2
147.04385	82.5
147.08015	3.4
147.11655	11.5
148.04861	0.8
149.02322	11.2
149.05870	1.6
149.08453	1.6
149.09590	22.8
150.03050	1.3
151.07526	5.2
156.09305	2.1
157.03983	5.0
157.06438	2.3
159.07996	1.0
161.05954	11.1
161.09567	4.2
161.13246	4.6
163.03865	2.0
163.07568	1.1
163.11168	2.4
164.02306	1.2
164.04655	11.0
165.09085	1.8
165.12732	5.6
171.11632	3.5
174.03128	6.3
174.06732	1.8
174.10364	0.9
175.03877	96.6
176.04340	1.4
177.09117	1.7
179.06999	13.7
179.08444	0.8
189.05434	1.3
189.09079	11.8
189.10741	1.0
189.11087	1.2
189.12700	15.0
192.04132	14.9
207.06487	77.6
207.10051	4.6
207.13774	27.1
207.15523	1.5
208.06865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0649
Annotation	Scoparone
Peak:m/z	Relative Intensity
51.02379	0.9
53.03937	1.1
55.01863	1.0
58.96444	0.6
59.04988	0.6
62.32796	0.6
65.03926	6.4
67.05491	1.5
68.99740	0.7
69.03416	1.4
71.07605	1.6
73.06545	0.7
77.03922	2.4
79.05486	3.3
80.06277	0.7
81.07061	1.6
85.02892	9.7
87.00839	2.6
89.03896	4.1
90.04691	1.0
91.05468	85.3
92.05799	1.3
93.07031	1.1
95.04954	2.2
95.08598	1.5
103.05450	4.1
104.02572	1.0
105.03394	1.3
105.07034	3.9
107.04929	1.7
107.08600	4.0
108.05721	1.8
109.06509	1.8
109.10140	1.4
117.07021	1.4
118.04146	5.9
119.04929	86.8
119.08557	3.5
120.05233	1.0
121.02835	1.7
121.06519	3.8
121.10139	2.7
122.03633	0.7
123.08025	1.9
123.11696	5.2
128.06239	0.6
129.03355	1.6
129.07005	0.9
131.04883	1.4
131.08565	1.1
132.02074	6.4
133.02859	1.2
133.06525	1.5
135.04359	3.1
136.05193	3.4
137.06027	1.0
137.09581	1.0
143.08528	1.0
145.02837	2.7
145.10126	1.8
146.03619	4.1
147.04393	76.7
147.08069	1.8
147.11681	5.3
148.04764	1.3
149.02321	8.1
149.09607	2.9
151.07529	1.1
156.09341	1.5
157.03935	6.1
161.05959	2.7
161.09627	1.6
161.13297	1.0
163.03903	1.4
163.07523	14.0
163.11121	1.1
164.04674	5.9
165.12761	2.0
171.11635	1.4
174.03088	4.1
175.03888	100.0
176.04262	1.2
177.01801	1.2
179.07021	9.5
189.05408	0.6
189.07414	0.6
189.09048	1.7
189.12733	4.4
192.04152	11.3
199.93495	0.6
207.06497	63.0
207.13765	8.7
208.06911	0.9
216.30760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
53.07158	1.0
55.01865	15.0
55.05504	2.7
56.05026	1.3
56.96556	52.2
57.03429	32.7
58.03783	1.3
58.49865	1.0
58.99881	1.1
59.04993	0.9
60.02137	1.1
60.04496	1.3
60.95813	1.1
61.02918	41.0
67.01846	1.0
68.04997	1.2
68.98286	1.2
69.03420	27.2
69.07069	1.3
69.25655	1.0
69.80000	7.8
70.03756	2.1
70.06591	4.8
70.98120	4.7
71.01330	5.4
71.04979	5.7
71.92509	0.8
71.95274	2.5
72.08154	5.7
73.02905	100.0
74.00256	2.5
74.03229	3.1
74.06065	0.8
74.97597	2.3
75.04464	3.0
77.00807	1.6
79.26287	0.9
81.01929	1.0
81.03410	11.3
81.22148	1.1
82.03726	1.3
83.00772	7.7
83.01318	3.7
83.04968	1.6
84.04503	1.1
84.08121	6.3
84.96031	5.6
85.02892	67.4
86.01267	1.0
86.03226	3.2
86.03706	1.7
86.09694	1.2
86.99309	2.3
87.00857	1.4
87.04445	6.9
87.51865	0.9
88.52767	1.3
88.99142	4.5
89.00760	5.6
89.02381	1.2
90.01545	3.6
91.00518	1.5
91.02440	1.5
91.03954	1.7
91.05470	2.2
92.01301	7.6
93.02126	1.0
93.51946	1.3
94.02656	1.8
94.52719	1.1
95.00747	2.9
95.01308	3.0
95.02511	1.4
95.08637	1.0
96.01537	6.0
96.52509	2.0
97.02322	1.8
97.02876	27.0
97.07658	1.1
98.01273	8.3
98.03204	3.0
98.21468	1.2
98.97565	79.7
99.00802	2.5
99.04446	11.0
99.97902	1.1
100.02467	5.1
100.52725	1.9
101.00777	9.7
101.02370	10.9
102.00935	1.2
102.01523	3.2
102.02241	1.3
102.52448	1.1
103.00569	4.2
103.02328	4.6
103.03918	3.9
104.01272	16.3
104.05319	2.0
105.00381	1.8
105.02072	3.9
106.01002	1.6
106.02802	1.3
107.00133	1.3
107.00766	2.2
107.01808	3.4
107.04928	1.1
108.01522	5.1
108.02280	1.3
108.19279	1.0
109.02219	1.9
109.02869	7.2
109.53267	2.3
110.01263	27.9
110.03055	2.5
110.07181	1.5
110.51431	2.0
110.97555	15.1
111.00784	1.6
111.02057	5.8
111.04423	1.8
111.53004	2.4
112.01022	1.7
112.02834	1.7
112.99129	2.3
113.00999	1.8
113.01733	10.6
113.02459	1.0
114.02577	1.1
114.09116	2.4
114.10275	6.4
114.52442	1.9
115.00598	1.2
115.02415	8.3
115.03107	1.2
115.03244	1.3
115.03902	8.6
116.01265	5.7
116.98602	43.2
117.02039	8.7
117.02892	2.3
117.04002	1.7
117.52236	1.1
117.52962	2.4
117.98943	1.2
118.01026	3.5
118.02782	1.4
118.03510	4.8
119.01814	46.5
119.04917	1.7
119.51953	1.2
120.01963	5.7
121.01635	10.6
121.02384	1.3
121.03426	1.1
121.52071	1.1
121.97580	2.5
122.01257	3.0
122.02301	12.6
123.02036	3.2
123.02866	1.3
123.52980	3.0
124.00993	2.4
124.02815	3.0
124.95493	1.7
124.99069	2.2
125.00951	2.0
125.01768	16.3
125.03674	1.3
126.00723	1.4
126.02568	5.7
127.01496	1.9
127.03905	17.8
128.01315	1.9
128.02301	28.5
128.03192	2.0
128.04225	1.5
128.07069	1.5
128.52472	1.7
128.98592	27.9
129.01898	3.2
129.03035	1.5
129.10234	1.1
129.53036	1.6
130.08615	1.6
130.52629	1.3
131.00172	3.7
131.01822	15.7
131.03421	1.8
132.00705	1.6
132.01898	2.2
132.02600	1.9
132.03418	2.2
132.10226	1.7
132.53510	3.9
133.01613	7.3
133.03398	15.3
134.02295	12.2
134.03436	1.9
134.99646	13.9
135.01256	3.0
135.03085	13.7
135.05019	1.9
135.53227	1.6
137.01778	7.4
137.02856	8.7
138.02480	4.8
138.53497	1.3
139.01610	2.2
139.02553	1.8
139.54303	1.4
140.00394	1.4
140.02269	18.9
140.04001	1.9
140.52451	1.1
140.98598	3.3
141.03038	2.4
142.03610	1.5
142.94876	1.5
142.96510	6.2
143.00151	10.6
143.01831	13.2
143.03400	3.0
144.02155	3.6
144.03482	1.8
144.53552	3.1
144.98109	2.7
145.01561	5.7
145.03400	5.7
145.04942	3.7
146.02293	19.7
146.03456	2.6
146.99635	27.8
147.01257	2.2
147.03040	10.3
148.02011	2.3
149.01216	3.3
149.02821	9.5
151.53070	1.1
152.02264	18.9
152.03394	1.7
152.52437	1.7
152.98573	3.0
153.03061	7.9
153.04126	1.5
153.05460	1.8
153.54077	3.5
154.02103	1.6
154.03792	5.0
155.00096	2.1
155.01819	1.7
155.02846	14.7
155.52943	1.4
156.01959	3.9
156.03529	3.3
156.04834	1.1
156.98039	1.2
157.01460	5.6
157.03464	5.8
157.53055	2.4
158.03596	2.4
158.99646	19.2
159.01027	1.9
159.03096	7.9
159.05028	1.7
160.97554	8.5
161.01224	12.7
161.02908	68.9
161.52968	2.9
162.01776	3.1
162.03551	27.9
162.53841	2.0
162.99126	2.1
163.02606	9.2
164.03368	3.3
165.00668	11.4
165.96507	1.6
166.03511	2.0
166.53627	1.2
167.02852	2.1
168.01917	3.0
168.03613	12.0
169.02559	1.7
169.04404	1.2
170.01396	1.5
170.01738	1.6
170.03351	18.1
170.04887	1.6
170.53485	1.9
170.99643	14.5
171.04169	4.1
172.04997	1.4
173.01259	4.8
173.02913	11.2
174.03072	6.4
174.99158	3.3
175.02669	7.2
175.04451	2.1
176.03322	3.0
176.04703	1.3
177.00706	21.9
177.02397	3.8
177.04111	11.7
177.54301	1.5
178.01018	1.1
178.98613	2.7
179.02237	3.1
179.03970	11.1
179.05453	2.0
181.54056	1.9
182.03340	12.6
182.53508	1.2
182.99654	3.7
183.01915	2.0
183.03992	1.8
183.97554	3.1
184.02991	1.8
184.04532	29.9
185.01294	1.2
185.02914	15.1
185.04544	1.1
186.03020	5.1
187.02736	3.6
188.04527	1.2
188.97060	1.6
189.00697	26.1
189.02264	1.9
189.04199	6.4
190.01080	1.4
190.55927	1.3
190.98669	2.7
191.02191	3.3
191.03905	14.5
191.54063	3.7
193.00169	3.0
193.03836	1.3
194.98102	1.3
195.01775	2.3
198.02942	2.1
198.04643	22.9
198.54895	2.9
200.04459	1.2
201.00667	15.7
201.02411	1.6
202.01009	1.4
202.02672	1.9
202.05598	3.2
203.02222	2.5
203.04007	6.5
204.04124	3.2
205.00162	1.6
205.03830	2.0
206.65300	1.6
206.98090	1.8
207.01804	10.9
207.03131	1.2
207.05081	19.1
207.06790	1.8
207.55385	3.4
208.04651	2.2
213.00638	1.7
217.00153	2.4
218.55911	1.7
219.01750	21.9
221.05042	2.3
225.02766	2.7
228.04219	1.5
229.04018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	14.1
55.05489	2.5
56.96291	4.2
56.96557	52.9
57.03425	26.1
61.02920	26.0
63.34493	1.8
65.92648	2.2
68.98287	3.2
69.03426	27.3
70.40948	2.4
71.05003	3.8
71.53863	4.4
71.95290	2.0
73.02908	69.2
80.94962	4.7
81.03409	9.1
82.22694	2.1
83.00789	3.1
83.05015	3.0
84.08162	2.8
84.96016	3.1
85.02896	61.0
87.04471	4.5
89.00783	4.9
90.01523	3.9
91.03974	2.4
92.00233	2.2
96.01530	5.8
97.02876	33.4
98.01302	6.3
98.97568	78.8
99.04434	11.4
100.02482	6.8
101.00816	10.1
101.02379	5.4
102.00917	2.6
102.01559	3.4
103.03922	2.1
104.01269	12.4
107.01826	3.9
108.01524	2.6
109.02858	4.6
110.01279	24.1
110.97557	18.1
111.02045	7.2
111.02850	4.7
112.99138	3.3
113.00864	3.7
113.01762	4.1
115.02412	18.9
115.03911	5.4
116.01274	6.8
116.98602	44.9
117.02039	9.7
117.02874	4.1
117.03937	2.8
118.03519	5.7
119.01821	57.9
121.01643	4.3
121.97567	7.2
122.01271	4.1
123.02094	3.1
123.02951	2.1
124.00975	2.8
124.02690	2.4
124.93911	3.2
124.99094	2.5
125.01743	13.4
126.02531	7.8
126.03388	3.5
127.03921	17.6
128.02298	22.7
128.98595	19.5
129.02925	4.1
129.03989	2.3
130.52617	3.5
131.00204	3.5
131.01845	24.5
132.02618	5.2
132.03462	2.7
133.01627	3.3
133.03452	16.5
134.02309	6.9
134.99641	10.7
135.03046	8.2
135.04977	3.7
137.01772	7.0
137.02872	9.2
139.53148	2.9
140.02280	14.9
142.03517	3.5
142.96494	5.7
143.00180	15.8
143.01884	19.4
143.03563	4.1
144.03564	4.2
144.98071	3.5
145.03398	5.4
146.02304	17.0
146.99640	14.9
147.03050	8.8
147.54274	2.5
148.02003	3.8
149.02888	5.8
152.02290	13.9
153.02982	3.5
155.00145	2.6
155.01816	6.0
155.02899	16.7
156.03568	4.0
157.03516	8.1
158.03345	3.0
158.06616	3.4
158.99646	22.0
159.04071	4.5
160.96117	4.6
160.97575	13.9
161.01247	21.5
161.02933	100.0
161.52940	3.2
162.03540	19.2
162.53848	2.7
163.02716	3.3
163.04419	2.2
165.00743	5.4
165.96565	5.6
168.03638	7.0
170.03325	14.8
170.99651	11.8
171.04082	3.5
173.01364	4.7
173.02936	21.9
177.00716	22.8
177.04149	9.7
177.54347	3.0
179.02287	6.7
179.04016	15.5
182.03416	11.1
182.99724	3.8
183.04170	3.1
183.97545	10.3
184.02951	2.4
184.04532	47.3
185.02899	17.7
185.04466	3.2
189.00688	21.7
191.03831	10.8
198.04578	17.9
201.00720	10.0
202.05658	3.0
203.03981	8.4
207.01855	4.5
207.05011	20.1
207.10477	2.7
208.04520	2.9
215.04030	3.5
217.00279	3.0
219.01776	20.4
221.05118	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	206.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63675	1.1
56.96545	3.8
70.20237	1.1
71.01974	2.9
74.28422	1.1
75.33823	1.5
98.97559	2.5
100.02445	2.6
101.00871	12.9
115.02405	2.0
119.01903	76.2
120.01990	4.9
121.01620	7.7
122.29657	1.1
124.02453	5.6
133.03423	2.3
137.02943	26.9
138.03017	2.1
139.02682	3.4
142.03482	100.0
143.01918	2.2
143.03632	4.0
144.03224	4.1
146.03804	1.2
153.00697	1.3
160.04535	49.0
160.05870	2.7
161.02937	12.7
161.04568	2.8
162.04335	1.8
164.03130	1.5
165.05043	5.8
166.03526	2.0
177.00903	2.9
179.00658	3.5
179.03964	4.8
182.04123	1.4
182.99638	2.4
183.03125	1.5
183.06223	2.5
184.04565	11.7
184.64432	1.2
188.99167	3.8
200.49986	14.7
201.00526	11.6
201.02434	2.7
201.06070	1.4
201.49921	2.6
202.05466	1.7
204.51863	1.1
211.97775	1.1
219.01694	1.9
219.03574	2.8
224.04066	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	206.0808
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
59.41008	0.6
69.54949	3.3
69.55378	3.0
73.13998	0.5
83.68591	0.5
91.05476	5.5
98.21471	1.1
105.07021	1.0
115.05432	5.9
117.05744	5.4
117.07032	2.1
118.06523	100.0
119.04915	2.3
119.06862	1.5
130.06508	68.9
131.07336	8.1
132.08070	20.6
142.06490	8.7
143.07246	5.6
144.08072	14.8
146.05986	52.9
147.04384	1.5
147.06334	0.7
155.06021	0.7
160.07555	61.9
161.07957	1.2
164.60139	0.8
170.05991	39.2
175.03896	2.3
188.07039	63.3
189.07402	0.8
206.08096	50.2
207.06503	2.2
207.08408	1.3
207.13759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
56.96551	0.6
58.74179	0.2
68.99805	0.2
69.95129	1.3
69.96735	0.2
93.47933	0.2
96.10284	0.2
97.02872	0.2
105.03373	0.6
107.32746	0.2
118.06509	0.2
131.42278	0.2
132.04431	2.4
133.02852	0.4
144.10107	0.2
150.05482	2.0
160.03886	0.3
161.46284	0.2
174.10681	0.2
178.04965	100.0
179.05341	2.0
180.05478	0.2
188.07016	0.2
189.49623	0.2
201.00876	0.2
201.06563	0.2
206.04457	52.6
207.04796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03941	0.9
53.55944	0.4
55.05498	5.7
57.07061	4.3
60.04509	1.8
65.03924	0.8
67.05494	7.4
68.81156	0.5
69.03410	1.0
69.07059	6.3
71.05001	0.6
71.08607	0.5
79.05480	7.8
81.03406	1.3
81.07040	28.5
82.07380	0.7
83.08593	2.4
85.02880	1.3
91.05465	2.6
93.07027	24.0
95.04974	0.9
95.08589	14.0
97.02886	4.9
97.10151	1.6
99.04433	1.1
99.76351	0.5
105.07011	2.6
107.08576	24.2
107.14900	0.5
109.02846	3.0
109.06519	0.8
109.10137	16.1
117.06982	1.5
118.06521	1.5
119.08561	1.3
121.02821	0.9
121.06506	1.1
121.10121	9.2
123.11683	100.0
124.12030	1.6
127.03892	1.1
128.07034	0.7
130.06500	1.3
131.08485	1.1
133.10074	0.6
135.08018	1.0
135.11670	51.4
136.12013	0.9
139.05760	0.5
145.06482	0.9
145.10060	3.3
146.05949	1.6
147.11668	1.5
149.02318	11.3
149.13231	33.6
159.11690	1.3
160.07545	1.4
163.11194	0.6
163.14807	1.3
170.05975	1.0
173.29135	0.5
176.22676	0.5
177.12712	1.1
187.11815	1.1
187.14774	1.0
188.07040	1.1
205.08748	1.6
205.12163	3.4
205.14146	0.6
205.15900	2.7
205.19505	13.7
206.08176	1.8
221.89177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03931	1.1
55.05503	5.9
55.50985	0.6
57.07066	6.9
60.04525	3.0
61.04846	1.5
64.51437	0.6
65.03930	2.4
67.05493	5.4
69.03413	1.2
69.07059	10.5
71.08629	0.6
77.03932	0.6
79.05480	7.4
81.03391	1.9
81.07044	43.2
83.08600	2.8
84.04494	1.2
85.02884	2.6
85.04831	1.5
91.05471	4.7
93.03426	0.9
93.07033	36.8
95.04948	0.8
95.08595	19.5
97.02868	8.6
97.10151	2.5
98.51150	0.6
99.04438	1.8
100.69554	0.5
105.07037	4.4
107.08574	18.0
109.02858	6.1
109.06464	0.6
109.10145	14.7
109.36999	0.6
111.11689	0.9
113.51353	0.7
116.05315	1.3
117.06950	1.1
118.06546	1.2
119.08568	2.3
121.02852	4.2
121.10128	100.0
122.10484	3.1
123.08057	0.8
123.11690	14.3
126.05503	1.3
126.63140	0.7
127.03861	1.8
127.05839	2.6
128.04295	0.7
128.07065	0.7
130.06499	1.2
131.08528	1.0
133.10126	0.9
135.11678	15.3
137.13237	0.7
145.04849	0.8
145.06799	0.7
145.10124	1.1
146.06038	1.2
147.11626	1.0
149.02321	42.8
149.13239	27.2
149.14444	1.4
150.02625	0.8
150.13550	1.1
159.11754	1.0
162.10365	0.8
163.11188	1.2
163.14810	2.1
170.06021	0.7
177.12767	1.2
187.11803	2.2
187.14859	1.5
187.77905	0.7
188.07014	0.9
191.14389	0.9
205.04993	1.1
205.08847	4.0
205.12239	2.6
205.14169	1.5
205.15898	3.9
205.19505	18.5
205.21344	1.3
206.08122	2.6
206.19923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03945	0.5
55.05504	4.6
57.07067	4.1
62.98784	0.5
65.03928	0.9
67.05492	5.2
69.07062	6.0
79.05485	5.5
81.07046	24.0
83.08595	1.9
91.05450	1.7
93.07028	18.2
95.08595	10.9
97.10152	1.1
105.07001	1.0
107.08576	18.4
109.10146	10.9
113.91483	0.5
119.08600	0.5
121.02853	1.5
121.10120	9.9
123.11689	100.0
124.12024	1.2
135.11673	49.4
136.12025	0.8
146.70656	0.4
149.02325	12.5
149.13254	12.3
163.14786	1.0
196.17731	0.4
205.15923	0.7
205.19510	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	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
52.23381	0.7
53.03930	1.5
55.01848	0.9
55.05503	17.3
57.07066	8.5
57.60719	0.7
60.04507	2.7
65.03925	1.3
67.05495	13.8
69.03400	0.7
69.07059	28.5
70.85201	2.2
71.08603	1.7
79.05479	16.1
81.03400	1.9
81.07046	58.5
82.07352	1.0
83.08611	13.5
84.04517	1.2
85.02886	1.9
85.04825	1.6
91.05465	8.1
93.07031	54.9
95.04944	1.6
95.08595	53.0
97.02888	8.8
97.10152	10.4
99.04424	1.7
105.07015	7.5
106.06538	0.9
107.08581	50.4
109.02866	6.3
109.10145	45.9
110.10474	1.0
111.11687	5.6
115.05882	0.7
117.06972	1.0
118.06532	2.3
119.08566	2.4
121.02827	1.3
121.10129	100.0
122.10463	1.9
123.11681	24.0
125.13275	0.9
126.05540	1.0
127.03934	1.9
127.05829	2.4
128.07109	1.0
130.06546	1.4
131.08565	0.9
132.61768	0.8
133.10118	0.9
135.11676	43.1
136.12035	0.9
137.13214	2.5
145.10110	2.5
146.05954	1.2
147.11681	1.2
149.02328	16.2
149.13239	59.2
150.02594	0.9
150.13544	2.4
160.07668	1.2
163.14789	8.2
175.99521	0.9
177.12709	1.3
177.16356	1.5
187.11890	1.7
187.14806	1.7
188.06998	1.9
205.04906	0.8
205.08888	2.9
205.12219	1.8
205.14096	3.0
205.15915	4.0
205.19496	59.1
206.08104	3.0
206.19815	1.3
218.61557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.04944	1.0
55.05501	12.9
55.62875	1.0
57.07049	4.0
67.05494	16.8
69.07056	25.9
71.08612	2.1
79.05479	14.1
81.07041	33.4
83.08607	9.2
91.05456	4.5
93.07030	39.4
95.04953	1.1
95.08591	52.8
96.14536	0.9
97.10160	7.1
105.07005	2.3
107.08578	40.5
109.10139	46.9
111.11708	2.1
119.08553	1.2
121.09246	2.2
121.10127	42.9
123.11689	34.8
130.52898	1.1
135.11670	39.7
137.13251	1.3
137.33087	1.0
139.81245	1.0
147.11775	1.1
149.13237	64.9
150.13661	1.4
162.28459	1.2
163.14864	6.1
172.85506	1.1
205.19490	100.0
206.19833	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	0.9
54.94497	0.8
55.05273	0.9
55.05503	14.3
56.19813	0.8
57.07062	5.3
57.25174	0.8
65.03926	1.0
65.54375	0.9
67.05495	15.3
69.07059	20.3
69.68576	7.8
71.08604	2.6
77.46160	1.0
79.05482	12.5
81.07045	35.1
83.08601	8.9
91.05457	4.1
93.07033	39.0
95.04929	1.6
95.08591	38.1
96.54340	1.0
97.10152	14.3
102.79073	0.8
105.07020	2.8
107.08579	44.1
109.10139	28.0
111.11702	1.6
113.53811	0.8
121.10129	25.7
123.11687	76.3
135.11673	49.6
136.11951	1.3
137.13223	1.5
147.11650	1.1
149.02303	1.9
149.13231	100.0
150.13573	1.6
163.14771	6.4
205.19490	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	205.1947
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05504	4.4
56.77328	0.4
57.07058	3.1
57.45450	0.5
66.03458	0.4
67.05487	5.2
67.96264	0.4
69.07050	4.9
69.76044	3.7
69.76370	1.0
79.05482	5.5
81.07041	24.7
83.08598	1.3
91.05466	1.9
93.07028	15.1
95.04915	0.5
95.08591	9.2
97.10135	1.2
105.06979	0.8
107.08575	17.8
109.10133	11.3
121.10136	4.1
123.11684	100.0
124.12014	1.9
132.15524	0.5
133.10147	0.5
135.11670	52.1
136.12007	0.8
143.73102	0.5
149.13231	10.0
163.14798	0.6
205.19524	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03930	3.5
55.01853	2.3
55.05502	15.9
57.03431	1.9
57.07068	15.6
60.04514	8.3
61.04856	2.4
65.03934	2.9
67.05496	16.0
69.03419	4.3
69.07054	26.3
70.45281	5.2
71.04967	1.8
71.08627	1.4
72.93765	1.2
79.05021	1.6
79.05477	16.6
81.03407	7.3
81.07042	53.7
82.07393	1.3
83.04993	1.6
83.08598	12.6
84.04472	2.7
85.02878	6.3
85.04787	1.8
87.04443	1.7
91.05451	9.1
93.07028	61.8
95.04949	2.3
95.08591	48.2
97.02870	24.6
97.04797	2.0
97.10140	8.1
98.03221	2.0
99.04443	4.9
105.07006	7.7
107.08578	56.4
108.08888	1.4
109.02869	16.5
109.06480	2.2
109.09391	2.2
109.10141	43.2
111.11687	3.1
113.96449	1.5
116.05276	1.4
117.07034	1.7
118.06482	5.7
119.08530	5.7
121.02883	7.0
121.03802	1.4
121.06490	4.3
121.09253	2.8
121.10126	59.3
123.11685	48.0
126.05483	1.2
127.03904	6.7
127.05811	5.6
127.08670	1.2
128.07071	5.4
130.06502	3.9
131.08536	3.6
131.97391	2.3
132.08070	2.5
133.10092	3.0
135.08075	1.9
135.11673	46.8
137.13258	2.5
139.03896	1.1
145.06726	1.7
145.10110	8.3
146.05991	3.9
147.07961	1.4
147.11696	3.7
149.02319	59.4
149.13234	100.0
150.02704	2.4
150.13560	2.5
159.08093	1.3
159.11707	3.6
160.07625	4.5
163.07503	1.2
163.11148	3.0
163.14809	6.6
165.03224	1.1
170.05960	2.3
177.12737	7.3
177.16380	2.7
178.05051	1.5
187.07458	2.0
187.12012	7.8
187.14853	2.8
188.07076	5.6
205.08676	9.1
205.12218	13.9
205.14145	3.7
205.15877	8.7
205.19505	45.9
206.08130	7.0
206.19810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03938	1.6
55.01843	2.0
55.05505	11.7
56.17756	1.5
57.03437	1.7
57.07066	10.4
60.04508	4.4
61.04849	2.0
65.03917	1.7
67.05495	8.6
69.03421	2.5
69.07056	25.9
71.04972	2.8
71.08623	2.1
74.96962	1.2
77.03890	1.6
79.05481	11.0
81.03381	3.5
81.07047	17.5
83.04963	2.8
83.08602	11.4
84.04496	2.3
85.02905	4.3
86.02390	1.4
91.05461	13.9
93.07033	35.9
95.04954	3.1
95.08598	35.7
97.02878	19.6
97.06491	2.3
97.10146	2.7
98.03206	2.0
99.04413	3.4
99.08042	1.9
100.07612	1.8
105.07015	26.8
106.38130	1.5
107.08578	75.5
109.02864	11.7
109.06491	4.0
109.10151	11.5
111.08063	2.3
113.96371	1.7
115.05890	1.8
117.07004	13.3
118.06527	4.5
119.08560	51.4
121.02850	3.7
121.06486	3.5
121.10131	73.1
123.08031	3.9
123.11681	10.7
126.05479	1.9
127.03881	4.8
127.05815	4.8
128.06212	2.0
128.07088	5.4
129.06967	1.9
130.06491	3.5
130.07758	2.8
131.08557	19.3
133.09149	3.0
133.10109	39.9
135.08060	5.5
135.11676	22.6
137.09575	1.6
139.03851	3.0
143.08539	6.7
144.09311	3.5
145.10109	61.2
146.06012	2.7
146.10893	1.7
147.11661	11.8
148.12082	1.5
149.02324	46.2
149.09601	8.0
149.13229	8.9
157.10103	5.2
158.10870	5.9
159.08037	1.9
159.11662	21.3
160.07544	3.9
161.13249	11.3
162.10428	2.2
163.11162	28.7
163.14807	8.5
172.12419	5.8
174.14041	2.5
175.14795	71.8
177.12787	3.2
177.16362	45.8
178.08820	1.8
187.12086	11.2
187.14786	51.8
188.06972	4.4
190.11909	1.7
190.13564	3.5
202.78699	1.7
205.08864	6.3
205.12248	6.3
205.15860	100.0
205.19473	5.5
206.08089	7.6
206.16168	2.2
212.14748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03929	3.4
54.49025	1.2
55.01857	2.7
55.05502	11.3
57.03415	2.0
57.07069	15.8
59.04988	1.6
60.04510	10.0
60.62420	1.4
61.02908	2.0
61.04844	4.1
65.03907	5.3
67.05502	10.7
69.03394	5.0
69.07052	28.1
71.04986	2.6
79.05476	15.4
81.03399	6.5
81.07041	23.2
81.19550	1.3
83.04939	4.5
83.08607	11.7
84.04494	1.6
85.02878	5.8
85.04823	2.3
87.04450	1.4
89.20010	1.4
91.05451	17.3
93.07027	35.8
95.04948	3.7
95.08587	34.9
97.02870	30.4
97.06500	2.7
97.10129	1.7
98.03208	2.3
99.04425	6.1
99.08093	1.8
105.07016	24.6
107.04943	3.2
107.08574	71.3
109.02863	18.0
109.06484	6.2
109.10137	14.2
111.04380	1.8
111.08086	1.5
113.96432	1.6
114.05518	1.4
117.06998	13.2
118.06525	3.9
119.08564	46.2
121.02834	8.3
121.06518	8.0
121.10123	69.4
123.08042	7.0
123.11684	22.1
126.05476	1.8
127.03886	6.4
127.05836	4.9
128.07076	2.3
129.06947	2.4
130.06519	2.0
130.07753	4.3
131.08540	18.2
131.97466	2.6
133.10103	37.6
133.11127	1.8
135.08012	4.9
135.11670	27.6
137.05971	7.5
139.03891	1.6
143.08522	5.5
144.09319	3.6
145.06409	1.9
145.10094	62.9
146.05984	2.4
147.11661	12.1
148.00299	1.4
149.02313	68.4
149.09583	10.1
149.13246	14.9
157.10110	4.6
158.10866	4.0
159.08023	2.5
159.11659	21.3
160.07565	2.1
161.13231	13.5
162.10356	2.7
163.07504	1.8
163.11163	54.7
163.14801	12.9
172.12440	4.4
173.13206	1.9
174.14032	2.6
175.14796	55.7
177.09126	2.2
177.12794	8.2
177.16356	39.8
181.97751	1.9
187.11803	5.2
187.14777	50.7
188.07149	3.0
205.04982	1.4
205.08647	9.7
205.12294	16.6
205.14233	5.3
205.15848	100.0
205.19313	9.2
206.08128	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	204.0654
Annotation	Doryanine
Peak:m/z	Relative Intensity
51.44068	0.2
56.05011	0.2
56.06933	0.2
57.03418	0.3
60.04519	9.4
68.05022	0.9
69.03403	0.2
69.76807	1.0
69.77220	0.3
71.04966	0.3
72.04485	0.2
79.05460	0.2
81.03377	0.2
84.04057	0.2
84.04495	2.3
85.02880	1.0
87.00681	0.3
89.03878	1.0
96.04478	1.9
96.95041	0.2
97.02872	2.7
98.06035	0.5
99.04436	0.5
104.70256	0.2
105.07000	0.2
107.08644	0.2
109.02874	0.3
110.06022	0.5
112.81938	0.2
113.83939	0.2
114.05518	1.9
115.05396	0.3
116.04955	2.8
117.05494	0.2
126.05496	3.5
127.03893	0.3
130.06522	0.4
131.04898	0.2
134.06001	0.2
138.05490	0.8
144.04387	1.4
144.06534	0.5
145.04977	0.4
145.06456	0.3
146.05972	0.2
149.02319	0.6
149.42918	0.2
156.06558	0.3
160.05200	0.2
162.05478	100.0
163.05832	2.0
164.05888	0.2
168.06490	0.5
172.03937	2.4
173.05879	0.3
175.07536	0.4
185.07130	0.2
186.07590	0.6
188.07082	0.2
189.11475	0.3
190.04967	17.3
191.05348	0.5
204.06552	42.1
204.08583	4.3
204.13765	1.8
205.06903	1.5
212.44426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03945	0.9
53.13636	0.5
55.01882	0.8
55.05502	10.6
57.03433	0.7
57.07067	3.1
60.04518	19.1
61.64965	0.6
65.03926	1.2
67.05491	12.6
68.05012	2.2
69.03418	1.3
69.07059	11.9
69.84800	4.9
71.08582	0.6
79.05484	5.7
81.03410	1.2
81.07043	24.2
83.08602	6.4
84.04501	5.4
85.02892	2.1
91.05464	15.7
93.07033	11.7
95.04955	1.3
95.08591	34.7
96.04471	4.2
97.02872	4.6
97.10171	1.4
99.04425	1.1
100.07581	1.0
103.05431	0.8
105.07014	63.5
107.04922	0.8
107.08575	13.8
109.06489	1.7
109.10139	27.8
110.06064	0.7
111.08057	2.8
114.05527	4.2
115.05455	1.4
117.07006	3.2
119.08566	46.3
120.08875	1.0
121.10129	12.2
123.07996	0.6
123.11691	27.7
124.03963	0.8
126.05493	9.3
127.03879	0.8
128.06235	2.5
129.06990	2.1
131.08553	2.0
133.06537	0.8
133.10106	42.2
134.10448	0.9
135.11665	3.3
138.05475	1.6
143.04950	1.2
143.08549	3.2
144.06557	2.3
145.05000	0.8
145.06464	1.7
145.10110	6.6
147.08031	2.5
147.11665	100.0
148.12070	1.9
149.02324	2.0
157.10133	2.2
158.06047	0.8
159.11685	2.2
160.05182	1.8
160.12474	1.8
161.05951	1.4
161.09564	2.3
161.13235	14.5
168.06580	1.5
171.08008	1.3
175.07520	5.1
175.11116	1.0
175.14763	3.3
185.09547	0.7
185.13229	2.0
186.07523	1.4
188.04750	1.4
188.08287	1.3
203.03313	1.4
203.06932	7.2
203.08859	1.2
203.10674	7.7
203.14398	5.9
203.17926	67.7
204.06766	1.4
204.08662	10.7
204.13828	3.0
204.18260	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	1.0
55.05504	6.3
56.92712	0.8
57.07061	3.0
60.04503	2.8
67.05496	11.1
69.07061	8.6
71.08610	1.0
71.33716	1.0
71.34052	1.3
79.05484	3.4
81.07044	23.9
83.08599	5.4
84.04471	1.0
91.05462	12.0
93.07043	9.3
95.04971	0.9
95.08595	27.3
105.07017	52.5
106.65345	0.7
107.08585	9.5
109.10137	24.8
117.07000	2.1
119.08566	37.1
121.10143	6.3
123.11688	30.8
126.05472	1.5
131.08527	1.3
133.10107	28.0
135.11662	4.0
145.10112	4.4
147.11662	100.0
148.11975	2.0
159.11641	1.2
160.12474	1.2
161.13234	9.6
175.14775	1.8
188.08302	1.8
201.93886	0.8
203.07115	0.8
203.10680	4.4
203.17924	52.3
204.08543	1.0
204.18298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05503	4.2
57.07052	1.4
60.04517	3.1
67.05499	11.4
69.07063	4.2
79.05481	2.8
81.07043	22.2
83.08601	1.9
84.04470	1.7
91.05474	4.5
92.06152	0.5
93.07032	6.6
95.04935	0.6
95.08596	56.8
96.04472	1.1
96.08942	0.6
97.02834	0.6
97.10123	0.6
105.07017	23.2
107.08585	8.9
109.10144	22.3
114.05514	0.7
117.06998	1.0
119.08569	19.7
121.10137	10.0
123.11691	12.6
125.81648	0.4
126.05527	2.3
131.08524	1.5
133.10114	14.5
135.11670	2.4
144.06514	0.6
145.10095	2.4
147.11667	32.8
154.38515	0.5
159.11650	1.2
160.12419	2.0
161.09547	0.9
161.13231	7.1
172.41400	0.4
173.13258	1.7
175.14796	1.5
185.44420	0.5
188.15584	1.8
203.17928	100.0
204.08617	1.8
204.13966	0.5
204.18213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.19843	0.8
53.03907	1.2
55.05504	7.8
57.07056	4.1
57.55658	0.8
60.04504	3.1
61.96605	0.9
65.03938	1.5
67.05498	13.9
68.05026	1.2
69.07066	9.8
69.53748	5.1
69.54179	3.7
79.05460	4.7
81.07044	17.6
83.08601	10.7
84.04481	2.4
91.05469	11.5
93.07027	10.2
95.08595	45.2
96.04482	1.0
97.10173	1.9
97.14700	0.9
99.22719	1.1
105.07015	51.7
107.08569	19.0
108.86816	0.9
109.10141	35.1
109.23948	1.0
111.94394	0.9
114.05509	1.4
117.06979	1.9
119.08566	60.4
121.10114	15.5
123.11684	6.6
126.05470	3.8
131.08545	3.5
133.10110	58.6
133.11134	2.4
135.11652	2.9
145.10101	7.0
147.11665	58.9
159.11673	4.1
160.12389	2.0
161.13232	30.7
173.13240	1.8
174.14005	2.0
175.14832	8.6
203.17931	100.0
204.08691	2.9
204.18210	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05502	3.7
57.07051	1.4
60.04508	7.6
67.05184	0.7
67.05496	9.2
68.05024	1.0
69.07056	5.0
70.39764	3.1
79.05473	2.9
81.07045	21.4
81.07529	1.1
83.08603	1.4
84.04493	3.6
85.02890	1.0
91.05478	4.2
92.64914	0.6
93.07045	6.4
95.08594	55.3
96.04463	2.3
97.02856	2.1
97.10162	0.9
98.12901	0.6
98.20684	0.9
105.07019	19.4
107.08591	7.5
109.10139	24.2
114.05551	1.7
117.07036	0.9
119.08569	20.0
121.10126	11.2
123.10857	1.2
123.11695	14.2
126.05501	6.8
131.08548	1.6
133.10106	12.4
135.11633	2.2
138.05429	0.9
144.06586	0.9
145.10109	3.9
147.11667	34.7
159.11690	1.0
160.12444	2.6
161.13231	5.5
163.04964	0.7
168.06544	1.0
171.50496	0.6
173.13231	1.9
175.14771	1.2
185.13184	0.7
186.07585	0.9
188.15596	2.2
203.10652	1.4
203.17928	100.0
204.08597	4.5
204.18274	1.8
205.78056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.88960	0.7
53.03927	1.1
55.05499	7.8
55.41104	0.7
57.07053	1.4
60.04518	14.8
65.03927	1.5
66.66543	0.8
67.05493	13.2
68.05005	2.2
69.07058	12.8
71.08604	0.8
79.05479	7.0
81.06597	1.2
81.07047	22.3
83.08588	2.7
84.04492	18.1
85.02876	3.2
86.09662	0.8
91.05467	20.9
93.07026	16.7
95.04938	1.3
95.08595	41.2
96.04470	4.8
97.02876	7.5
97.10145	2.6
98.06014	2.5
98.21418	1.8
99.04433	0.9
105.07016	40.4
107.08575	26.7
109.06474	1.0
109.10134	25.2
110.05984	1.5
114.05512	7.5
117.06966	1.5
119.08566	29.0
121.10127	15.9
123.11697	5.0
126.05497	25.6
127.19572	0.7
131.08537	2.6
133.10114	46.3
135.11676	4.3
138.05443	2.7
144.06541	6.3
145.10091	3.2
147.11659	46.1
147.12862	1.8
148.12148	1.2
156.06512	1.7
157.10423	1.2
159.11673	2.2
160.12410	1.6
161.09605	0.9
161.13240	16.7
162.07611	0.9
168.06537	2.6
175.14784	10.7
185.13269	1.3
186.07639	1.6
201.16360	0.9
203.05228	1.0
203.10825	3.5
203.14246	2.5
203.17928	100.0
204.08649	18.4
204.13799	2.4
204.18243	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03927	0.8
53.62935	0.6
53.94113	0.8
55.05503	5.0
57.07052	1.1
57.27615	0.7
60.04515	4.7
66.30957	0.7
67.05492	16.4
69.07053	9.1
79.05478	5.3
81.07041	21.2
83.08587	3.1
84.04474	2.9
91.05456	10.1
93.07027	17.4
95.04911	0.8
95.08591	76.3
96.04475	1.1
97.02888	1.4
97.10120	0.8
98.21487	1.1
105.07014	39.8
107.08572	19.7
108.15738	0.6
109.10141	23.2
113.25327	0.6
114.05473	0.8
116.38443	0.7
117.07005	1.0
119.08554	25.5
121.10125	30.9
122.10375	0.9
123.11692	7.8
126.05503	3.7
131.08543	1.6
133.10109	43.8
134.10471	1.1
135.11644	2.7
135.12598	0.7
143.08546	1.8
144.06477	1.0
145.10092	3.1
147.11665	38.5
157.10167	0.7
159.11662	2.1
160.12447	2.6
161.09641	1.0
161.13239	12.6
173.05847	0.8
175.14790	4.4
188.08330	3.1
188.15572	1.3
199.04153	0.8
203.10696	4.2
203.17918	100.0
204.08652	2.4
204.13835	1.2
204.18259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03926	0.9
53.46479	0.7
54.68838	0.7
55.01846	1.2
55.05500	6.8
56.05022	1.4
57.07070	3.8
60.04518	25.2
61.02907	1.1
67.05495	10.1
68.04996	2.9
69.03416	0.9
69.07064	10.2
72.01882	0.8
79.05479	5.7
81.03410	0.9
81.07042	24.2
83.08591	3.0
84.04494	17.9
85.02888	3.7
88.48196	0.9
91.05466	12.1
93.07031	10.5
94.14832	0.6
95.04940	1.1
95.08593	40.1
96.04477	6.4
97.02877	6.7
97.10147	0.9
97.73921	0.7
98.06033	2.1
99.04428	1.8
100.07603	1.6
103.05463	0.8
105.07014	50.6
106.11256	0.7
107.08573	16.5
109.06514	0.8
109.09390	1.4
109.10139	23.9
110.06001	1.4
113.27420	0.8
114.05524	7.6
115.05385	0.7
117.06964	2.7
119.08569	43.3
121.06470	2.7
121.10134	15.1
123.11703	7.4
126.04607	1.5
126.05498	23.6
127.03906	1.5
128.06244	0.8
129.06964	0.9
130.06544	0.8
131.08531	3.0
133.06401	1.1
133.10109	41.0
135.11679	4.0
138.05496	3.0
142.07738	1.1
143.08511	2.0
144.06531	5.7
145.04942	0.9
145.10092	5.2
146.10916	1.0
147.04408	1.0
147.11667	60.6
148.12062	0.9
157.10243	1.4
159.11569	3.7
160.08797	1.2
160.12462	3.5
161.09601	9.8
161.13240	19.0
168.06526	2.5
174.06740	1.7
174.14021	1.1
175.07538	1.8
175.11168	0.8
175.14824	7.3
185.09656	2.8
185.13234	1.2
186.07539	2.2
203.07002	1.8
203.10675	17.8
203.14230	5.0
203.17926	100.0
204.08647	13.6
204.13838	3.2
204.18263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05496	2.6
56.00885	0.4
56.56019	0.4
57.07063	0.8
60.04525	2.1
67.05495	11.8
69.07056	4.4
72.90088	0.4
79.05474	1.6
81.07044	8.5
83.08615	1.4
83.96146	0.4
84.04479	1.0
91.05466	2.7
93.07027	5.3
95.08591	83.3
96.04472	0.8
96.08912	0.7
97.02859	0.6
97.10142	0.5
98.20644	1.1
105.07010	11.8
105.55779	0.4
105.99730	0.4
107.08571	4.3
109.10138	12.9
114.05499	0.6
117.06998	0.5
119.08562	13.8
119.09396	0.8
121.10128	9.1
123.11681	3.4
126.05492	1.6
126.07623	0.4
131.08539	1.2
133.09151	0.8
133.10100	11.5
134.10632	0.5
135.11653	1.4
145.10126	1.6
147.11659	18.6
150.81165	0.4
157.10458	0.4
159.11691	0.9
160.12486	1.2
161.13235	6.2
168.76076	0.5
173.13202	1.1
175.14828	1.3
188.15553	1.1
203.17918	100.0
204.08618	1.2
204.18225	1.9
210.83200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05507	3.7
57.07066	1.0
60.04524	2.4
67.05494	12.8
69.07059	4.7
69.51290	2.1
69.51720	2.4
77.38001	0.5
79.05476	2.9
81.07044	15.8
83.08601	2.0
84.04485	0.9
85.02885	0.6
85.10162	0.5
86.86443	0.4
91.05457	4.9
93.07035	7.7
95.08591	64.8
96.08908	0.6
97.10128	0.7
98.20685	0.7
105.07016	21.6
107.08573	8.0
109.10139	18.0
114.05514	0.6
116.71381	0.5
117.06969	0.7
119.08566	19.0
121.10120	10.8
123.11679	9.5
126.05505	1.2
131.08554	1.2
133.10114	17.2
133.11121	1.0
135.11679	2.4
145.10085	3.3
147.11659	30.5
159.11670	1.3
160.12450	1.9
161.13234	8.2
173.13161	1.3
175.14828	1.7
188.15561	1.5
203.17920	100.0
204.08606	1.0
204.18265	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03915	1.1
53.07694	0.9
55.05505	6.9
57.07062	5.2
57.71332	0.9
60.04491	3.3
65.03892	1.1
67.05492	9.8
69.07053	15.1
69.67875	7.6
69.68275	1.5
71.08614	1.5
76.21794	0.9
79.05058	0.9
79.05466	4.6
81.06595	1.6
81.07040	22.7
83.08601	3.6
84.04477	1.8
91.05471	13.8
93.07024	9.9
95.08591	42.1
96.04468	1.8
97.10146	2.1
103.05427	1.2
105.07011	63.0
107.08564	13.3
109.10138	18.1
117.06994	2.0
118.07767	1.3
119.08561	47.2
121.10121	20.0
123.11697	8.4
126.05515	2.0
131.08582	3.0
133.10101	50.0
134.10785	0.9
135.11655	4.2
141.01857	1.0
145.10089	6.8
147.11662	83.7
148.11932	2.1
159.11615	1.3
160.12393	4.8
161.13237	22.0
175.14824	3.1
203.17923	100.0
204.08678	1.9
204.18228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05497	10.2
55.50665	1.1
57.07053	2.9
60.04519	11.7
60.91393	1.2
67.05493	18.6
69.03378	1.6
69.07053	12.4
70.97467	3.7
74.22309	1.2
79.05469	5.2
81.07044	25.6
82.70317	1.3
83.08610	3.1
84.04471	5.0
87.52869	1.2
90.00612	1.4
91.05466	12.5
93.07032	19.7
95.08589	50.8
96.04485	2.9
105.07014	63.8
107.08577	21.9
109.06499	1.4
109.10136	50.4
114.05508	3.0
115.05413	2.4
117.06982	2.5
119.08563	77.5
121.09242	2.4
121.10126	43.1
123.11687	30.4
126.05464	4.2
131.08565	4.0
133.10110	36.6
135.11679	3.1
143.08470	2.4
145.10110	9.2
147.11661	96.3
159.11615	3.1
160.12436	4.2
161.09671	1.9
161.13254	13.8
175.07535	3.3
175.11185	1.2
175.14803	4.4
188.08290	1.7
188.15627	1.7
203.05418	1.3
203.06963	7.6
203.10674	4.1
203.14243	4.0
203.17923	100.0
204.08604	4.4
204.13817	2.7
204.18213	3.4
211.13423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.42245	1.0
51.81261	0.8
55.05507	8.9
56.26360	0.8
57.03409	1.1
57.07056	3.7
60.04222	1.1
60.04513	12.9
62.28272	0.9
63.84088	1.1
67.05494	13.5
68.05015	1.6
69.07055	9.9
70.38515	3.9
70.38935	1.6
70.76796	0.8
79.05487	5.8
81.07047	23.9
83.08604	6.9
84.04488	7.7
85.02892	1.5
91.05463	12.9
93.07020	13.6
95.07991	1.8
95.08594	35.6
96.04472	2.4
97.02853	3.8
97.10141	1.5
98.06053	0.9
100.07600	1.3
105.07015	52.5
107.08573	15.8
109.10140	32.6
110.05997	1.1
114.05505	2.9
116.33667	0.9
117.07011	2.3
118.69249	1.0
119.08566	43.7
121.10114	12.3
123.11684	28.0
123.12349	0.6
126.05504	10.3
131.08516	3.5
133.10110	34.6
133.11122	1.7
135.11644	4.4
143.08572	2.3
144.06503	1.4
145.10143	7.2
147.11664	100.0
148.12019	1.3
157.10043	1.4
159.11617	1.4
160.12456	1.9
161.13243	15.0
168.06563	2.1
175.14806	3.5
185.13268	1.8
186.07568	1.5
188.08308	1.3
203.10686	3.1
203.14268	3.2
203.17923	82.9
204.08644	8.0
204.13724	1.1
204.18292	1.2
206.99287	0.9
218.27539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.30041	0.8
53.03928	1.2
55.05499	8.2
57.07059	5.5
60.04518	7.5
62.06042	0.8
62.37097	0.7
66.57109	0.7
67.05180	0.9
67.05495	12.3
68.05024	1.0
69.07054	10.3
69.99925	3.1
70.00349	2.0
71.08612	1.2
72.16234	0.7
79.05467	5.4
81.07043	25.9
81.67188	0.8
83.08607	7.2
84.04476	2.0
85.10199	1.2
86.05735	0.8
91.04926	0.8
91.05463	13.1
93.07037	9.9
95.08589	30.9
96.04466	1.9
97.02862	2.0
97.10136	1.2
98.21442	0.8
105.07013	59.9
107.08578	11.9
109.06495	1.4
109.10136	31.5
114.05484	1.8
116.06219	0.8
117.07007	1.1
119.08562	44.0
121.10130	9.5
123.11684	35.8
123.12451	0.5
123.12617	1.2
126.05497	3.9
131.08545	2.1
132.92416	0.8
133.10109	27.9
135.11650	3.6
138.05521	1.2
145.10103	5.5
147.11658	100.0
148.11960	1.6
157.10077	0.9
159.11694	1.8
160.12466	1.3
161.13235	10.6
175.14790	3.1
185.20874	1.9
203.06902	1.6
203.17914	60.7
203.21964	22.2
204.08624	2.9
204.13687	1.1
204.18173	1.6
216.19554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03920	1.0
55.05504	4.5
56.32499	0.5
57.07050	1.7
60.04512	10.9
67.05494	14.4
68.05016	1.4
69.07053	7.8
70.30299	2.1
70.30712	0.9
74.35154	0.6
79.05478	4.6
81.07043	19.9
81.07528	1.1
83.08591	1.8
84.04501	5.1
85.02862	1.0
87.43028	0.6
88.24352	0.7
91.05457	9.0
93.07025	12.2
95.08591	68.0
96.04481	2.5
97.02866	2.4
97.10165	0.9
105.07012	33.9
107.07890	1.2
107.08572	13.2
109.09385	1.2
109.10136	23.8
114.05491	2.5
117.06968	1.0
119.08565	25.6
121.10123	21.9
123.10856	0.9
123.11685	9.8
126.05497	6.9
126.86414	0.6
131.08553	2.4
133.10103	32.6
135.11711	3.1
138.05484	1.6
143.08522	3.0
144.06514	1.7
145.10071	4.5
147.07944	0.9
147.11662	39.6
148.12195	0.9
157.10092	1.0
159.11687	1.9
160.12431	2.2
161.09570	0.7
161.13231	11.2
171.08038	0.9
173.13246	0.8
175.14812	3.1
186.07726	0.9
188.08290	5.2
188.15591	1.3
203.07001	0.8
203.10619	6.8
203.14212	2.8
203.17920	100.0
204.08705	5.1
204.13866	1.8
204.18259	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05497	4.3
57.07060	1.3
60.04515	8.0
67.05495	11.7
69.07056	4.6
79.05484	3.3
81.07043	24.8
83.08590	1.7
84.04485	3.3
85.02840	0.6
91.05470	5.8
93.07019	7.3
95.08591	54.9
96.04469	1.8
96.08917	0.6
97.02863	1.9
97.10131	0.7
98.06047	0.5
98.21495	0.7
99.64207	0.5
100.07541	0.7
105.07011	25.7
107.08575	8.3
109.10141	25.1
114.05493	1.3
117.06985	0.7
119.08561	25.6
121.09241	0.7
121.10122	12.7
123.11687	16.5
126.05489	3.7
131.08525	1.7
132.09326	0.5
133.10103	15.8
135.11673	1.9
143.08577	1.5
144.06499	1.0
145.10110	4.6
147.11662	43.8
148.12064	0.8
157.10164	0.6
159.11667	1.7
160.12460	2.3
161.09616	1.0
161.13243	10.0
167.17015	0.5
173.13249	1.2
175.07478	0.6
175.14813	2.1
185.13123	0.5
188.08308	0.6
188.15575	1.5
203.06918	0.7
203.10625	1.7
203.14113	2.8
203.17923	100.0
204.08635	3.6
204.13814	0.9
204.18219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1389
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
51.04279	0.9
53.03930	2.6
55.01855	2.3
55.05504	10.7
56.96564	4.3
57.03432	4.7
57.07070	0.9
60.04517	39.3
61.02890	1.8
68.05025	6.4
69.03397	3.2
69.07040	2.6
70.06569	3.6
70.50087	3.9
71.04985	6.1
72.04488	1.8
72.08136	2.6
73.02895	1.8
79.19954	0.8
81.03388	3.6
81.07034	2.5
83.04980	1.7
83.08611	7.1
84.04492	7.7
84.08123	1.8
84.30392	0.8
85.02896	6.8
86.09692	100.0
87.00318	1.2
87.00814	18.1
87.04444	2.8
87.10020	1.9
89.06026	4.6
91.05455	1.5
95.08580	1.8
96.04481	11.4
97.02867	11.1
97.06504	1.0
98.06033	2.5
98.09694	1.1
98.97558	12.7
99.04441	15.5
100.07601	3.3
102.96849	1.7
105.01869	3.2
105.06992	1.9
109.10143	1.5
110.06003	2.9
111.04363	1.9
114.05512	9.3
115.03885	1.5
116.07079	1.0
116.98620	6.7
117.05489	6.0
119.01868	3.4
119.08548	2.1
120.96510	2.4
120.97880	1.6
121.01485	1.1
121.10114	0.9
121.96608	1.7
126.05487	10.7
127.03872	1.9
129.06938	1.1
130.06467	1.0
131.01834	1.1
132.10182	90.2
133.10222	1.4
134.99606	3.9
137.02850	1.5
138.05447	4.0
138.98940	1.1
141.11044	1.2
142.09743	1.2
143.03365	3.7
144.06509	1.9
147.04337	3.1
147.11667	2.3
148.97707	1.0
150.96893	1.0
156.06509	1.7
157.05011	1.1
157.07567	1.5
157.13335	16.3
158.11781	5.1
158.99609	6.1
159.12070	4.8
160.05609	1.9
160.07599	0.9
161.02963	1.8
161.04601	0.9
161.13211	1.0
167.06871	1.1
168.06538	3.6
169.06187	4.1
171.56528	1.1
173.96393	0.9
175.05876	2.5
175.07549	2.8
177.00700	9.4
178.00954	1.0
179.03917	0.9
179.97844	1.7
182.05147	2.9
191.05681	3.6
203.05397	7.7
203.07037	2.7
203.08632	1.1
203.10789	3.1
203.13803	10.9
203.17882	1.7
204.06749	1.2
204.08638	20.9
204.12135	1.3
204.13852	2.1
219.01768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1275
Annotation	Feigrisolide A
Peak:m/z	Relative Intensity
51.45024	0.7
52.15491	0.6
53.03934	2.1
55.01865	9.4
55.05504	59.0
56.96566	1.4
57.03154	1.0
57.03430	18.5
57.23374	0.6
58.81668	0.7
59.04980	0.9
60.04517	25.3
67.05498	6.8
68.05013	3.0
68.65069	0.7
68.99767	0.7
69.03429	2.5
69.07059	20.0
70.06583	2.5
71.04971	5.9
71.79027	1.2
72.08140	2.4
72.08498	0.7
73.02908	1.7
75.04462	0.8
79.05486	8.2
81.03383	1.1
81.07044	7.6
83.04967	4.5
83.08607	100.0
84.04486	4.5
84.08118	1.4
84.08952	0.7
85.02888	4.4
85.06536	2.0
86.09689	6.2
87.04432	4.7
87.08095	0.7
91.05461	5.3
93.07019	10.8
95.04959	1.9
95.08595	5.5
96.04468	5.4
97.02885	5.3
97.06516	7.8
97.10168	1.7
98.97582	0.8
99.04440	2.3
99.08088	1.8
101.06016	1.3
103.03931	12.9
105.07003	5.5
107.04948	3.2
107.08585	12.0
109.06500	2.0
109.10160	1.9
110.06017	1.7
111.04455	2.6
111.08067	38.1
112.75314	0.7
113.05997	12.2
114.05509	5.8
115.03913	1.8
115.05447	2.5
117.05469	1.2
117.07012	1.5
117.09068	1.0
119.01920	1.6
119.04973	0.8
119.06741	0.7
119.08527	3.8
120.96491	1.6
121.06525	1.2
121.10130	9.4
121.96645	1.4
123.08028	1.5
125.05967	5.5
125.09608	11.4
126.05500	7.3
127.03880	1.0
128.06189	1.1
129.05467	2.3
129.07018	1.8
129.09099	20.3
130.06522	3.1
131.01924	0.9
131.04918	1.5
131.08528	3.8
132.04439	1.0
133.02835	3.1
133.10138	2.6
134.06004	1.6
135.08009	0.8
137.09744	0.8
138.05481	1.4
139.11166	6.9
142.07747	0.9
143.01868	0.8
143.05034	0.8
143.07054	1.3
143.08600	1.8
144.06566	0.7
145.06429	0.8
145.10121	1.1
147.04396	4.0
147.08043	1.3
147.11652	4.3
149.09550	5.4
153.09251	0.8
155.10703	0.8
157.07605	5.0
157.10123	2.3
157.12155	1.1
160.05217	2.6
161.02988	1.8
161.05946	1.1
161.09639	1.7
161.13211	1.4
167.10674	7.3
168.06625	1.4
171.08078	1.8
175.03917	0.9
175.07504	5.8
179.97882	2.2
185.09918	1.2
185.11696	10.1
185.13185	0.7
186.07584	1.4
188.04805	1.4
188.08365	1.3
203.03394	2.5
203.05287	2.2
203.07065	8.8
203.10712	4.8
203.12762	15.3
203.14436	2.6
203.17912	3.8
204.06715	1.5
204.08592	11.3
204.10275	1.5
204.13860	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1064
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.05508	0.9
56.05027	0.3
57.07059	1.1
60.04520	1.8
67.05483	1.5
69.07051	1.5
69.67000	0.3
71.18993	0.5
71.19296	0.5
79.05470	0.8
81.07059	3.2
83.08606	0.6
84.04484	0.8
85.47449	0.3
89.60745	0.3
91.05460	1.8
93.07034	1.5
95.08595	5.5
103.05473	0.5
105.07015	6.3
107.08580	1.4
109.10135	3.5
113.47220	0.3
115.05428	0.7
117.06102	0.4
117.06979	0.6
119.08575	5.8
121.10105	1.6
123.11669	1.7
126.05534	1.0
128.06200	5.3
129.06981	1.5
130.07800	0.8
131.08499	1.2
133.10107	4.7
135.11617	0.4
142.07776	1.9
143.08543	25.8
144.09315	0.7
145.06461	7.2
145.10109	5.1
147.11659	9.8
155.04837	0.4
155.06003	0.4
157.06422	0.5
157.10150	0.5
158.07227	0.6
159.08046	2.0
159.11678	0.4
160.08812	6.0
160.12453	0.5
161.09575	0.5
161.13243	2.9
171.08035	10.8
172.08821	7.5
173.05965	11.1
175.11143	2.2
175.14775	0.5
185.09595	0.5
187.07527	0.5
188.08299	75.1
189.08693	1.2
203.10643	100.0
203.17924	16.0
204.08765	0.8
204.11005	2.3
204.13684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.01855	5.3
55.05498	10.4
56.96552	5.3
57.03430	17.3
59.04993	1.3
60.04511	19.8
61.02919	2.2
67.05478	1.5
68.05021	2.7
68.99765	2.7
69.03413	2.1
69.07041	2.8
70.06569	4.0
71.04608	1.4
71.04990	24.0
71.32096	3.1
72.08152	3.4
73.02892	1.7
73.06558	3.4
81.03414	15.1
81.07045	3.9
83.08600	7.6
84.04495	4.7
84.08158	3.1
85.02896	4.1
86.09696	94.2
86.24302	1.4
87.00817	100.0
87.04464	4.4
89.06020	36.7
89.06573	1.8
91.05444	1.7
95.08576	2.5
96.04487	5.5
97.02874	8.3
97.06516	1.8
98.06039	2.7
98.97560	14.1
99.04442	72.3
99.06406	1.7
100.07614	4.3
101.00881	1.8
102.96882	1.6
105.01857	16.9
105.06995	2.2
110.06008	1.9
111.04481	1.7
112.11245	1.7
114.05525	5.9
115.03938	2.8
116.98602	8.7
117.05481	39.9
119.01906	5.2
119.08520	1.3
120.96509	1.8
120.97858	1.6
126.05493	4.4
128.02299	2.6
129.13892	2.0
132.10190	84.6
133.10165	1.7
134.99675	4.7
137.02852	2.2
141.11046	1.8
143.01901	1.3
143.03401	8.0
145.04959	1.7
147.04457	2.6
147.11703	2.7
157.04947	10.0
157.13350	14.7
158.11720	3.6
158.99609	5.9
159.12148	7.6
160.05595	1.8
161.03038	3.3
161.04482	2.7
165.00583	1.3
168.06514	2.1
169.06209	5.7
175.05983	6.5
175.07430	2.4
177.00723	9.1
179.97868	2.5
182.05161	2.4
185.09734	1.7
185.12881	2.6
191.05626	2.2
198.70068	1.6
203.05435	32.3
203.06987	3.0
203.10762	3.4
203.13852	8.7
203.18019	3.3
204.08655	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	202.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27242	0.9
70.77046	2.5
82.99812	1.3
98.97600	1.6
100.02454	1.1
100.97228	1.2
100.97968	1.4
101.00866	14.1
116.98606	1.5
118.03491	1.8
118.98197	1.5
119.01906	100.0
120.02005	2.3
124.02419	1.4
136.99239	1.1
137.01880	2.1
137.02940	42.8
142.03479	44.5
143.03575	1.4
160.04539	19.1
161.02925	21.4
165.05035	1.6
178.01076	1.1
179.03989	58.9
180.04146	1.6
184.04639	2.0
186.12431	1.0
202.05598	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	201.1635
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
53.14935	0.3
53.98843	0.2
55.01856	0.4
55.05507	0.4
57.03423	0.4
57.07070	4.1
58.07383	0.3
62.53188	0.2
67.05502	0.6
67.56372	0.2
69.07062	0.6
71.08620	5.2
79.05456	0.2
81.07047	0.8
84.08162	0.3
88.07626	0.6
89.07945	0.6
91.05464	2.1
93.07036	0.5
95.04955	0.4
95.08577	0.7
96.08112	0.4
98.21456	0.4
102.09176	0.5
103.05424	0.4
103.09439	0.4
105.07014	7.4
107.08571	0.7
109.06526	0.3
110.06047	0.3
114.09151	0.4
115.05418	0.4
117.06996	4.7
118.96779	1.1
119.08592	1.2
121.10170	0.3
127.03914	1.8
128.06219	0.6
129.06989	1.3
130.07776	4.4
131.08557	10.1
133.10161	0.4
137.05942	0.9
138.09122	0.3
141.05453	0.3
142.07739	0.5
143.08562	2.6
144.09305	1.8
145.10104	100.0
146.10413	1.9
154.96402	0.3
155.07024	0.3
156.10207	0.6
157.10097	1.3
158.10895	0.4
159.11674	21.0
165.05458	0.5
171.11728	0.3
173.13239	1.1
177.98062	1.2
183.06525	0.7
201.16365	17.0
201.20401	6.8
202.10736	0.9
202.16660	0.7
215.16235	0.2
221.90408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05498	1.7
57.03433	0.8
57.07050	2.0
60.77185	0.5
67.05477	2.5
69.03412	0.7
69.07036	2.3
70.97007	1.6
71.04970	0.7
79.05462	2.1
81.03415	0.7
81.07040	4.7
85.02893	0.7
91.05461	5.2
92.09715	0.6
93.07037	4.4
95.04961	1.1
95.08584	6.8
105.07010	8.4
107.08574	6.2
109.06486	0.9
109.10143	1.7
115.05421	0.9
116.06188	0.9
117.07005	6.2
118.96748	2.1
119.08569	6.6
121.10103	2.3
122.78514	0.5
127.03870	2.9
128.06213	0.9
129.06973	2.5
130.07785	2.8
131.08545	43.6
132.08858	1.3
133.10118	7.8
137.05931	2.4
142.07663	0.6
143.08522	3.4
144.09329	4.9
145.10101	31.3
146.10786	0.7
147.11700	0.5
154.96458	0.9
156.10159	1.5
157.10104	7.7
158.10844	1.7
159.11668	61.6
160.12013	1.2
165.05498	1.5
171.11661	2.4
172.12462	3.5
173.13235	13.5
177.98004	3.1
180.11584	0.6
183.06483	1.1
183.11682	0.8
186.13972	5.6
199.56810	0.6
201.09074	1.3
201.12622	2.6
201.16356	100.0
202.10709	1.7
202.16647	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	201.1633
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
54.47493	0.4
55.05480	1.8
57.03423	0.7
57.03708	0.4
57.07066	2.2
67.05482	3.1
69.07059	3.3
70.04210	0.4
70.96814	0.6
70.97163	0.9
71.08617	0.4
79.05482	4.5
81.07031	6.9
83.08598	0.6
91.05463	7.5
93.07026	7.1
95.04948	0.8
95.08595	9.4
96.38459	0.4
103.05460	0.5
105.07007	9.3
106.07319	0.6
107.08578	9.9
109.06459	0.8
109.10143	1.9
112.51024	0.5
114.09124	0.8
115.05412	1.1
116.06191	1.2
117.06988	6.3
118.96715	1.4
119.07726	0.5
119.08568	8.5
121.10118	3.0
124.03715	0.4
127.03891	3.2
127.54453	0.4
128.06192	1.1
129.06931	2.5
130.07739	2.9
131.08543	46.5
132.08936	0.4
133.10109	7.3
137.05946	0.8
142.07710	0.6
143.08534	3.7
144.09305	2.7
145.10100	40.2
146.10880	1.2
147.11600	1.2
154.96388	0.5
156.10236	0.8
157.10092	5.9
158.10854	1.8
159.11665	39.4
160.12167	1.3
165.05411	1.0
171.11635	2.5
172.12462	3.5
173.13220	12.5
174.05411	0.8
177.98080	1.0
183.06490	1.2
186.14008	7.4
201.12653	2.4
201.16351	100.0
202.10709	1.3
202.16682	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03938	1.5
55.01863	1.2
55.05499	3.7
57.03418	1.1
57.07056	3.6
65.03948	0.7
67.05491	7.5
69.03405	0.9
69.07053	6.1
70.06592	1.3
70.92612	1.4
70.93005	1.3
71.04980	1.1
71.08615	2.5
71.27886	0.7
74.06872	0.6
77.03938	0.8
79.05476	7.7
81.07044	18.2
83.04944	0.7
83.08585	1.6
84.08147	1.1
85.02921	1.0
91.05466	12.9
93.07030	18.7
95.04979	2.1
95.08588	20.0
97.02880	0.8
99.04430	0.8
102.04691	1.0
103.05500	1.0
105.07013	25.5
105.07709	1.4
107.08580	23.9
109.06512	2.5
109.10146	7.8
111.04433	1.3
114.09165	1.0
115.05453	3.0
116.06256	0.8
117.06991	13.8
118.96766	1.8
119.08566	19.8
120.08868	0.6
121.10123	11.6
123.04437	0.8
127.03894	6.9
128.06203	1.8
129.06956	4.1
130.04128	1.7
130.07782	3.8
131.08546	35.6
132.09009	0.6
132.09311	0.6
133.10109	7.7
137.05974	2.8
137.09596	0.9
141.05391	0.8
141.06995	2.7
142.07726	1.0
143.08514	5.4
144.09355	5.6
145.06459	4.0
145.10106	94.8
146.10899	5.8
147.11693	2.4
155.08582	1.8
156.04399	0.8
156.10179	1.5
157.10139	5.4
158.03612	4.2
158.07233	1.0
158.10886	3.5
159.08087	1.6
159.11671	60.9
160.07579	1.1
160.09622	1.0
160.12000	1.4
162.03082	1.0
165.05461	2.6
169.06427	1.4
171.08066	1.2
171.11682	1.9
172.12471	1.6
173.05945	8.5
173.09673	1.4
173.13228	20.8
174.05428	1.6
174.08943	0.7
174.13663	0.9
177.98090	2.0
183.06520	2.0
183.08113	1.0
183.11697	1.3
183.13728	1.0
186.03082	2.7
186.10397	1.5
186.13995	1.8
197.84200	0.8
199.14850	1.1
201.05418	20.9
201.07358	1.2
201.09167	7.9
201.12778	7.1
201.16354	100.0
202.05698	1.2
202.10814	1.5
202.16669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02443	0.5
51.36288	0.6
53.03930	1.8
53.67210	0.7
54.78732	0.6
55.01860	3.6
55.05500	3.4
55.76400	0.6
56.05019	0.7
56.96544	1.1
57.03432	8.2
57.07047	1.2
57.25919	0.5
57.93550	0.6
59.04987	1.0
59.93098	3.4
60.04509	0.8
65.03933	1.3
67.05132	0.7
67.05497	9.8
68.99796	0.6
69.03421	3.4
69.07053	1.4
70.06597	4.0
71.04977	5.2
71.06889	0.6
71.78481	1.0
72.08154	3.0
73.02879	0.8
75.04472	0.5
77.94132	2.8
79.05481	18.4
79.05919	1.3
81.03412	2.2
81.07043	100.0
82.07393	0.8
83.04962	2.9
84.04474	1.3
84.08129	3.8
85.02891	6.3
85.06528	10.7
86.06071	0.8
86.09693	4.0
87.04472	2.8
91.05444	3.4
93.07024	3.4
95.04966	7.0
95.08591	5.0
95.95164	0.6
96.08118	1.7
97.02872	2.2
97.06512	2.5
98.97546	1.8
99.04401	3.1
99.08073	1.2
100.95740	0.8
101.02377	1.6
101.06010	1.3
102.05512	0.7
105.03334	0.8
105.07035	1.6
107.04948	1.3
107.08575	1.5
109.02859	2.1
109.06503	27.0
109.10151	1.9
110.07112	0.9
111.04417	4.1
111.08077	1.1
113.05982	3.6
114.05537	1.7
114.09153	1.7
115.03938	1.5
115.05477	1.8
116.98592	2.1
117.05529	0.8
117.07014	2.1
118.04641	1.0
118.96744	27.3
119.08555	4.0
123.04418	3.0
123.08062	2.1
125.09647	0.9
127.03896	24.1
127.07538	16.6
127.08513	1.0
128.07076	0.6
129.05511	1.3
131.08562	1.1
133.99066	6.6
134.99622	2.8
136.95415	1.3
137.05940	9.7
137.09581	3.8
139.07526	1.6
140.10715	1.0
141.01884	0.7
141.05478	5.5
141.06548	0.7
141.06900	0.7
141.09135	1.0
141.98318	1.7
142.08609	1.9
145.06468	2.8
145.10100	2.8
146.05911	0.7
150.95717	2.9
150.96844	1.1
154.96449	8.9
155.05940	0.7
155.07028	2.8
155.08902	0.7
155.10620	1.0
156.04399	1.3
156.10187	3.8
158.07317	0.7
158.99722	1.1
159.07997	1.0
159.11691	1.2
159.96982	1.8
160.09686	1.1
165.05464	7.7
165.09111	1.9
172.97540	2.6
173.05998	2.5
173.09653	1.7
174.05516	2.2
177.00656	1.4
177.98035	28.0
178.98189	0.8
183.02876	1.6
183.06578	7.2
183.08127	1.4
183.10143	7.6
184.13332	1.2
190.06683	1.3
195.99055	1.1
200.99666	2.1
201.05309	4.8
201.07413	1.2
201.09166	4.2
201.11086	2.5
201.12801	2.3
201.16301	2.2
202.05022	1.1
202.07043	0.7
202.08923	0.7
202.10756	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	200.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57315	0.5
53.03932	1.0
55.01868	2.2
55.05499	3.8
56.05028	1.6
56.05846	0.5
56.96552	4.7
57.03419	2.6
57.07078	0.8
58.06572	0.5
59.04988	2.3
59.93094	1.2
61.02913	5.5
65.03931	1.2
67.05491	2.9
68.05032	1.9
69.03414	2.0
69.05794	0.7
69.07056	2.7
70.06578	66.0
70.91035	1.3
71.04977	25.4
71.06902	0.5
71.95245	0.6
72.04526	0.5
72.08141	11.4
73.02899	1.1
73.95702	0.5
74.06095	0.6
74.09722	0.9
75.10027	0.9
77.94131	0.9
79.05483	2.5
80.05045	0.5
81.03403	1.7
81.05786	0.5
81.07040	14.3
82.06568	7.6
83.04978	1.5
83.06917	0.4
83.07336	1.1
83.08602	0.7
84.04513	1.2
84.08123	6.7
85.02888	3.2
85.06532	1.9
86.06020	0.8
86.09689	1.3
87.04470	0.8
87.08089	1.8
88.07649	0.5
91.05489	1.3
93.07032	1.0
94.06544	8.5
95.04938	4.9
95.06850	0.6
95.07333	2.9
95.08617	1.2
96.04493	4.6
96.05278	3.6
96.08105	7.8
97.02898	1.4
97.06529	1.5
98.06041	2.0
98.09694	1.2
98.97563	21.8
99.08070	0.5
100.07574	0.7
102.05586	0.6
106.86160	0.4
108.08107	1.1
109.02927	0.6
109.06513	2.4
109.60881	0.4
110.06033	0.8
111.04457	0.7
111.08024	0.5
112.04737	0.5
112.07602	2.1
112.11253	0.9
113.06019	2.7
113.09673	0.4
114.05524	4.6
114.09140	0.8
114.98315	0.7
116.07017	1.0
116.97357	2.7
116.98597	28.1
117.97551	1.0
118.96738	11.5
119.01849	1.0
119.08576	0.7
121.02815	1.1
122.03219	0.7
122.06018	3.4
123.04427	2.5
124.03934	0.9
124.04695	2.3
124.11224	1.7
125.02340	1.2
126.02682	2.0
126.09141	12.5
126.12769	88.4
127.03902	7.1
127.13105	1.6
128.07162	0.5
129.10185	0.8
130.06523	0.8
130.08588	0.7
131.99571	0.5
132.99251	0.7
133.99049	2.8
134.99631	38.2
135.95723	0.5
135.99989	0.7
136.06186	2.4
136.07549	1.4
137.05957	3.1
137.09601	0.9
138.05458	0.8
138.09041	0.5
139.98849	0.5
140.00125	0.9
140.04761	5.7
140.07036	100.0
140.10667	24.8
141.01819	0.7
141.04974	14.5
141.07367	3.6
141.98309	0.6
142.05176	0.5
142.12244	70.8
143.12575	1.1
145.06444	0.7
148.97664	1.0
150.95726	1.1
152.96933	0.6
153.00676	10.7
153.96730	2.1
154.08597	24.8
154.12213	0.9
154.96440	3.9
155.07001	2.0
155.08916	0.9
156.07368	2.6
156.10193	2.0
156.13783	1.1
157.07616	0.6
158.01228	4.1
158.08055	1.2
158.99611	0.6
159.96985	1.5
165.05435	2.7
168.13806	11.0
169.14241	0.6
172.07625	0.7
172.09680	0.6
172.97395	0.9
174.08424	0.6
175.62273	0.5
175.98529	0.8
176.02147	0.8
176.98589	3.0
177.00554	2.5
177.98029	11.5
182.08096	24.4
182.11569	3.1
183.06555	1.6
183.08418	2.1
183.09962	0.6
195.01691	2.5
200.09143	44.1
200.12775	49.5
200.16411	39.7
200.18976	2.6
200.99664	0.9
201.09418	2.1
201.13040	2.0
201.16664	1.4
219.01599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58922	0.4
56.96556	12.1
57.03421	0.7
57.71792	0.4
58.96974	0.5
65.28367	0.5
68.32824	0.5
69.03413	1.0
70.06585	2.2
71.18367	1.1
71.95250	1.8
73.02920	2.2
81.03387	0.7
84.08146	1.2
84.96019	0.8
85.02879	1.3
98.97569	100.0
99.04428	0.8
99.97910	0.6
104.01311	0.7
110.01282	0.7
110.97569	0.8
112.04007	0.5
115.23569	0.4
116.98608	94.0
117.98979	0.6
118.96767	0.7
119.01816	1.7
123.79133	0.5
127.03882	0.9
128.02335	1.2
128.98598	0.7
134.99641	60.4
137.00047	0.5
137.05986	0.6
140.00172	3.9
140.07047	1.1
141.51854	0.6
146.99643	0.6
152.02223	0.6
153.00694	10.3
154.08612	0.7
155.02820	0.9
158.01233	6.4
158.99631	2.5
159.03091	1.2
161.01122	0.6
161.02856	1.1
168.03616	2.8
170.99568	0.6
173.02892	0.5
176.02295	1.6
177.00684	6.9
177.02074	0.7
195.01720	4.8
196.26489	0.5
200.09108	0.5
200.12787	0.8
201.00658	0.8
219.01831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01854	0.4
55.05501	0.5
56.05025	0.2
56.96556	0.7
57.03424	0.3
57.07092	0.2
59.93074	0.2
61.02921	0.2
67.05495	0.6
68.05010	0.3
69.03410	0.4
69.07059	0.8
70.06580	100.0
71.04992	0.4
71.06908	1.1
71.14966	0.2
71.78935	0.4
72.08167	0.3
73.95660	0.3
74.09690	0.2
77.94128	0.2
79.05488	0.5
81.03428	0.3
81.07032	1.0
83.04965	0.3
83.08603	0.3
84.04472	0.3
84.08127	1.5
85.02893	0.7
85.06530	1.8
86.09694	1.6
87.04444	0.2
87.10037	0.2
91.05477	0.7
93.07032	0.4
94.06548	0.2
94.07382	0.3
95.04952	0.4
95.08598	0.4
97.02899	0.3
97.06513	0.4
98.06049	0.3
98.97562	2.4
99.04436	0.3
100.04025	0.2
102.05478	0.3
104.10733	0.2
105.07040	0.2
107.08620	0.2
108.08133	0.2
109.06535	0.4
110.06042	0.2
111.04438	0.6
111.08081	0.2
112.04728	0.2
112.07581	0.2
113.06005	0.2
114.05540	0.2
114.98311	0.2
115.05424	0.2
116.07124	0.2
116.97216	0.7
116.98595	3.2
117.07005	0.2
117.33360	0.2
118.96747	2.6
119.08565	0.4
121.06448	0.2
122.06039	0.2
122.06823	0.4
123.04442	0.3
123.08024	0.2
126.09125	0.4
127.03908	1.1
128.07053	0.2
128.28703	0.2
129.10260	0.2
133.99101	0.8
134.99632	4.2
136.06186	0.6
136.07591	0.2
136.95406	0.3
137.05952	0.9
137.09602	0.4
138.09135	0.3
140.07053	0.5
140.64766	0.2
141.05319	0.4
141.09126	0.3
141.10164	0.4
145.06499	0.3
148.55730	0.2
148.97719	0.3
152.96953	0.2
153.00685	1.4
153.96761	0.6
154.08591	1.1
154.96437	0.9
155.11794	0.2
156.04167	0.4
158.01300	0.5
165.05434	0.4
165.09126	0.3
167.06686	0.2
172.09773	0.3
173.05989	0.3
173.12904	0.2
175.98599	0.2
176.02361	0.3
176.98514	0.7
177.00687	0.4
177.98027	2.4
182.09108	1.1
182.11832	0.5
183.06520	0.4
183.08432	0.2
195.01703	0.2
200.07300	0.3
200.09189	0.9
200.10793	0.5
200.12875	0.8
200.14552	0.3
200.16513	0.4
200.18973	1.1
201.05493	0.4
201.09119	0.3
201.11131	0.5
209.13203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	0.8
56.96556	10.4
57.97338	0.3
70.76970	1.3
70.77325	0.6
71.95255	1.5
98.97569	100.0
116.98605	92.9
117.99001	0.9
119.01911	0.4
134.99640	58.7
135.99991	0.4
140.00204	3.9
142.03386	0.3
153.00685	9.9
158.01237	6.2
158.99779	0.4
176.02309	1.7
177.00705	5.3
191.66760	0.4
195.01773	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98669	0.4
56.96306	0.4
56.96557	11.5
57.03426	0.5
59.42915	0.4
60.95845	0.5
63.66886	0.4
69.03432	0.8
69.92567	2.5
69.92966	1.1
70.06580	1.4
71.11634	0.4
71.95251	1.9
73.02891	0.5
75.89404	0.4
78.84291	0.5
82.06567	0.5
84.08134	0.6
85.02908	1.4
97.02892	1.0
98.21419	0.9
98.97569	100.0
99.97927	0.8
116.98605	93.6
119.01848	1.6
126.00730	1.2
127.01553	1.0
128.07025	0.8
128.98636	0.6
131.01874	1.1
134.99638	54.3
137.02876	0.6
137.05914	3.0
140.00150	3.1
147.04404	0.8
153.00687	9.8
154.08588	0.7
155.02820	0.6
158.01230	6.0
158.99675	1.4
161.02809	0.9
173.02885	0.7
176.02274	1.9
177.00693	6.9
189.00737	0.8
195.01788	5.2
200.02251	0.5
200.04123	1.2
200.12782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0525
Annotation	FR 900098
Peak:m/z	Relative Intensity
71.30334	40.3
87.04535	13.4
135.62268	15.3
170.57803	14.3
198.05228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0526
Annotation	FR 900098
Peak:m/z	Relative Intensity
63.17928	3.7
70.86529	7.1
70.86916	6.8
75.09281	4.2
111.70039	3.8
115.64722	3.8
116.58000	3.6
198.05255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03933	1.3
55.01855	1.5
55.05505	5.4
57.03409	1.0
57.07044	2.8
59.04962	2.5
65.03934	1.0
65.96243	0.8
67.05496	8.0
69.03416	1.5
69.07058	4.1
70.95856	10.3
71.04969	2.3
71.13074	2.1
72.08128	1.4
72.93766	4.8
73.02921	0.8
79.05480	5.7
81.07043	12.2
81.31706	0.9
83.04951	1.2
83.08594	2.7
85.02888	1.4
85.06520	2.3
88.96877	2.0
90.94810	1.5
91.05464	16.2
93.07034	24.2
95.04959	11.2
95.08607	9.7
97.06509	1.7
98.30592	1.0
99.04435	2.7
105.03352	1.6
105.06326	1.2
105.07021	21.9
107.04935	1.7
107.08581	60.6
108.08950	1.3
109.06497	7.9
109.10130	7.9
111.04427	1.8
111.08035	1.6
111.98454	9.7
112.07599	1.0
113.96392	1.1
115.33884	0.8
117.43456	0.8
119.04933	2.1
119.08570	7.3
121.05698	0.8
121.06478	4.9
121.10104	3.0
123.04395	4.5
123.08042	4.0
123.11684	4.1
125.05978	1.5
129.99501	8.0
131.08524	2.8
131.97322	1.0
132.95822	12.9
133.02835	1.4
133.06459	1.1
133.10114	59.9
134.10426	2.4
135.08060	1.8
135.11676	54.5
137.05975	8.0
137.09572	4.7
139.07578	1.2
141.06941	0.9
143.08527	1.0
146.07275	1.2
150.96877	30.4
151.03914	4.9
151.07509	2.1
151.11195	6.0
152.06978	0.8
155.08490	1.5
155.97403	14.1
161.09596	29.4
161.13206	3.3
162.09984	1.1
167.08559	1.2
168.97929	1.7
169.10097	1.8
173.98460	31.0
178.10970	0.9
179.07173	2.1
179.10651	100.0
179.14192	3.2
180.06534	1.1
180.11140	1.3
182.10823	2.5
196.99980	3.0
197.05977	2.2
197.07991	3.1
197.11700	93.5
198.12062	2.5
198.18513	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
52.40036	0.6
53.03934	1.1
55.01849	1.3
55.05492	2.2
57.03416	1.3
57.07055	1.9
59.04980	0.8
67.05490	6.0
68.99789	1.0
69.03408	1.3
69.07056	4.4
70.90253	1.8
70.95858	4.2
71.04965	1.1
72.26958	0.7
72.93775	1.8
77.03905	0.6
79.05471	4.1
79.46027	0.6
81.07045	19.4
83.04959	1.0
83.08591	0.6
84.25195	0.7
85.02876	1.5
85.06532	0.8
88.96872	0.7
91.05447	4.4
93.07034	4.9
94.04134	0.6
95.04954	41.5
95.08596	15.7
97.06493	1.0
97.10047	0.6
97.34810	0.6
100.07587	0.8
105.03373	1.6
105.07012	4.8
106.33559	0.5
107.07896	1.2
107.08578	16.7
109.02890	0.7
109.06505	7.5
109.09388	1.3
109.10141	24.5
111.04408	3.2
111.98450	3.1
113.96352	0.9
119.08572	2.3
120.66467	0.6
121.06495	1.5
121.10126	1.2
121.37551	0.6
123.04440	1.3
123.08065	6.0
123.11690	39.4
124.12023	1.4
125.05943	1.2
129.99493	2.1
132.95807	6.7
133.02837	1.2
133.10114	12.5
135.08014	1.0
135.11656	4.8
137.05978	3.8
137.09596	31.3
147.04449	0.6
150.96869	12.5
151.03850	1.9
151.07593	0.9
151.11156	20.5
153.14610	1.0
155.97429	4.2
161.09607	6.8
165.05466	2.9
167.07140	0.7
169.12169	4.4
173.98479	9.7
179.10649	100.0
180.11023	1.7
197.05983	1.0
197.07956	1.9
197.09726	1.3
197.11679	17.7
198.18509	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	197.117
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03940	0.8
55.01865	1.1
55.05498	2.0
57.03432	0.8
57.07039	0.7
59.04989	0.6
65.03931	0.9
67.05491	2.7
69.03413	0.9
69.07058	1.5
69.53846	6.1
70.95841	4.5
72.93770	2.6
73.02901	1.2
79.05480	4.2
81.07042	5.3
83.04956	0.9
83.08600	1.0
88.04760	0.5
88.96908	1.1
90.94807	0.7
91.05457	10.4
93.06485	1.0
93.07034	11.2
95.04965	2.7
95.08595	2.8
97.06476	0.8
105.03365	2.2
105.07015	19.9
107.04933	1.1
107.08572	100.0
108.08918	1.9
109.06504	5.7
109.10136	5.1
111.98477	4.4
113.96436	0.6
117.06984	1.1
119.04902	1.3
119.06091	0.7
119.08563	8.4
121.06499	3.4
121.10115	5.5
123.04401	1.2
123.08015	1.4
123.11668	1.8
125.05951	1.2
129.99490	2.2
131.08551	2.0
132.95813	7.5
133.02811	1.6
133.10104	55.8
134.10419	1.7
135.07983	0.9
135.10751	0.4
135.11661	11.8
137.05954	4.5
137.09616	2.8
139.07486	1.1
141.07007	0.6
142.17863	0.6
143.08542	1.5
146.07253	2.1
149.09550	2.9
150.96866	13.3
151.03871	1.9
151.07532	1.1
151.11140	8.4
153.14627	0.6
155.97392	6.3
161.09593	16.5
165.05478	0.9
167.10637	8.7
168.97902	0.6
173.98460	11.9
174.98683	1.1
179.10635	32.8
197.00099	1.1
197.07953	1.7
197.11688	75.1
198.12007	1.1
198.18483	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	3.8
55.01863	1.2
55.05493	2.0
57.03423	1.8
57.07071	0.8
59.04987	2.2
67.05490	4.0
69.03396	1.3
69.07050	2.5
69.52980	6.5
70.95861	4.8
72.93775	2.2
73.02927	0.7
75.99444	0.9
77.03922	1.0
79.05481	8.0
81.03391	1.1
81.07046	5.9
83.04973	1.4
85.06540	1.1
88.96947	0.8
91.05466	14.9
92.42304	0.7
93.07029	20.4
95.04384	1.0
95.04952	11.7
95.08585	2.1
98.20670	0.8
99.04427	0.8
105.03380	77.8
105.07018	23.7
106.03708	1.8
107.08576	57.4
108.08940	0.6
109.06496	5.3
109.10152	5.7
111.98471	4.6
113.96378	1.0
117.06989	0.8
119.04902	1.8
119.08569	7.0
121.06518	4.5
121.10131	1.4
123.04420	6.1
123.08047	1.3
123.11665	2.9
123.96016	0.7
125.05970	1.4
129.99507	2.4
131.08556	2.1
132.95815	8.6
133.06520	1.0
133.10107	61.5
134.10478	1.5
135.08044	2.4
135.11673	55.5
136.12007	1.3
137.05988	3.5
137.09604	4.8
142.13707	0.7
143.08560	1.2
146.07246	1.9
147.04437	0.9
150.96877	13.0
151.03897	1.3
151.07492	0.9
151.11151	5.7
155.97401	6.9
158.17076	0.6
161.09604	31.8
167.10622	0.6
173.98456	11.5
179.07288	4.4
179.10646	100.0
180.10954	2.4
197.00075	0.8
197.11705	94.5
198.12000	2.1
198.18504	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	197.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05501	5.4
57.03409	1.4
57.07054	3.3
58.23359	0.8
59.04980	2.4
65.03955	0.8
67.05495	6.0
69.03423	2.1
69.07070	4.1
69.27493	0.8
69.60098	7.9
70.95852	8.5
71.04976	0.9
71.75665	0.9
72.93768	4.2
73.02888	1.6
73.46263	0.9
74.70691	0.8
76.58897	0.8
79.05487	5.9
81.07046	9.8
83.04972	1.8
83.08585	2.7
85.02881	1.5
85.06495	2.5
88.96886	1.9
90.94801	2.0
91.05457	14.5
93.07027	19.0
95.04472	0.8
95.04955	9.0
95.08590	4.9
97.06522	1.9
97.10147	1.1
105.03374	1.5
105.07009	25.4
107.04905	1.3
107.08575	60.1
108.08909	1.8
109.06486	5.8
109.10126	7.3
111.04377	1.0
111.08075	1.1
111.98459	10.5
112.07508	0.9
113.96386	1.5
119.04906	2.5
119.08565	7.0
121.06474	5.9
121.10097	1.8
123.04397	3.7
123.08010	1.8
123.11659	3.7
125.05926	1.9
125.56112	0.9
129.99478	6.1
131.08524	1.9
131.97453	1.1
132.95816	13.4
133.02771	1.0
133.06383	0.9
133.10107	58.0
134.10402	1.0
135.08069	1.1
135.11671	48.8
136.11998	1.3
137.05939	6.5
137.09578	4.6
139.11214	1.0
141.05420	1.1
143.08527	1.1
150.96872	33.0
151.03865	5.0
151.07458	0.9
151.11153	6.5
152.10568	1.0
155.97394	15.0
161.09593	29.1
161.13193	1.2
165.05473	1.3
167.08493	1.4
168.97903	1.7
169.06618	1.0
169.10146	1.8
170.15297	1.4
173.98460	28.1
174.98817	1.2
179.10641	100.0
180.11139	2.0
182.10875	1.1
197.00066	3.7
197.06017	2.0
197.11688	93.9
197.12973	3.9
198.11798	1.6
198.18497	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03704	0.2
53.03938	3.1
57.03429	1.1
70.95844	0.2
71.67899	0.5
76.02144	0.2
77.03915	0.7
79.05480	3.1
81.03406	0.3
87.66035	0.2
92.34112	0.2
93.07040	0.7
95.04955	7.1
105.03377	100.0
105.06992	0.7
106.03701	0.9
107.08574	1.4
109.06526	0.3
111.98420	0.3
118.31294	0.2
119.08506	0.2
120.83852	0.2
123.04412	3.2
132.95839	0.6
133.10149	1.5
135.11703	1.0
137.56006	0.2
138.95840	0.2
143.37155	0.2
147.04373	0.2
150.96921	0.6
155.97360	0.3
161.09648	0.7
173.98503	0.5
179.07014	4.6
179.10590	1.8
197.11722	2.1
211.11485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.2
51.02374	0.4
53.03704	0.2
53.03938	2.8
55.01863	0.3
55.05494	0.3
57.03423	1.3
57.07100	0.1
65.00967	0.1
65.06197	0.1
67.05499	0.3
68.91918	0.1
69.03427	0.2
69.07026	0.1
70.95855	1.2
71.79003	0.2
72.93787	0.8
77.03898	0.9
79.05483	2.9
81.03402	0.5
81.07048	0.5
86.22807	0.1
88.96871	0.2
89.06934	0.1
91.05469	0.6
93.07042	0.6
95.04953	7.0
95.08578	0.3
97.02974	0.1
97.06493	0.2
105.03378	100.0
105.07022	0.6
106.03709	1.2
107.08581	1.6
109.06507	0.4
109.10129	0.3
111.98465	1.3
113.96382	0.3
114.94813	0.2
119.04921	0.1
119.08554	0.3
123.04414	3.1
123.05250	0.2
123.08112	0.1
125.05975	0.4
129.99498	0.7
132.95822	2.0
133.02808	0.2
133.10110	1.3
135.11659	0.6
137.05960	1.0
137.09587	0.2
150.96873	4.1
151.03905	0.3
151.11143	0.2
155.07010	0.2
155.97394	1.8
161.09605	0.6
165.05411	0.1
168.97980	0.2
173.98474	3.8
179.07024	5.1
179.10585	1.7
179.12036	0.1
180.82687	0.1
189.94296	0.1
197.00082	0.2
197.06087	0.2
197.07990	0.2
197.11642	1.3
198.18518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
51.63100	0.3
53.03942	3.7
55.01864	0.8
55.05501	0.8
57.03433	3.6
57.07056	0.4
63.84234	0.3
65.03931	0.3
67.05500	3.1
69.07057	0.5
69.90083	0.3
69.90492	1.6
70.95857	6.2
71.04967	0.4
72.93777	2.7
73.02901	0.9
77.03937	0.8
79.05486	8.7
81.03402	0.8
81.07047	19.5
83.04972	0.3
83.08584	0.3
84.08132	0.5
85.02879	0.4
85.06519	0.4
87.26758	0.3
88.96891	1.4
90.94822	0.7
91.05471	1.2
93.07027	1.2
95.04955	7.5
95.08602	7.3
97.06496	0.6
98.21358	0.3
99.08154	0.3
105.03379	100.0
105.06998	1.5
106.03709	1.1
107.08611	1.9
109.06515	1.3
109.10155	0.7
111.04449	0.3
111.98460	5.7
113.05972	0.3
113.78029	0.3
113.96391	1.1
114.94767	0.5
119.04906	0.7
119.08568	0.7
120.08042	0.4
121.10088	0.5
123.04414	6.0
123.08087	1.3
125.05984	0.9
129.99503	4.0
131.97493	0.4
132.95816	8.1
133.02852	0.9
133.10109	1.8
135.11690	1.3
137.05968	1.7
137.09537	0.4
141.05472	0.4
147.04401	0.5
150.96872	18.7
151.03899	4.7
151.07536	1.0
151.11192	0.3
153.05505	0.3
155.97412	8.4
155.98637	0.5
161.09624	0.9
161.13263	0.4
165.05504	0.8
168.98004	0.7
173.98474	16.2
174.98737	0.5
179.03497	0.4
179.05568	0.5
179.07030	6.5
179.10599	2.3
197.00119	1.0
197.08090	1.0
197.11714	4.0
197.13387	0.5
198.11148	0.3
198.18523	3.6
201.37666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03929	1.0
55.01865	2.7
55.05495	0.6
57.03408	0.8
61.78603	0.4
64.68549	0.4
64.78271	0.4
65.03931	2.2
67.05498	2.5
70.95850	6.8
71.04972	0.5
71.36266	0.7
71.36602	0.4
71.48460	0.3
72.93773	3.1
73.02903	21.5
77.03922	0.9
79.05480	2.9
81.07037	5.5
85.02899	0.5
87.04382	0.3
88.96883	0.9
90.94781	0.8
91.05455	7.0
93.03422	0.5
93.07007	1.4
94.04165	0.9
95.04960	3.2
95.08606	2.1
105.03371	10.6
105.07011	1.2
107.04935	1.3
107.08546	1.9
108.02084	1.4
109.02855	0.8
109.06493	5.3
109.10136	0.4
110.03649	2.3
111.04440	2.0
111.98456	8.3
113.96357	0.7
114.94789	0.4
119.04927	2.8
119.08595	0.5
121.10091	0.4
122.03634	1.5
123.04407	1.3
123.08035	0.6
125.05970	19.4
127.03901	0.5
129.99500	4.3
131.97404	0.6
132.95808	10.2
132.96747	0.8
133.02829	13.7
133.10110	1.7
135.04410	0.5
135.11649	0.9
136.01546	0.7
137.05954	11.3
141.05464	4.6
147.04408	0.9
149.05940	1.9
150.95624	0.7
150.96864	20.8
151.03880	100.0
151.04944	6.1
151.07430	3.6
151.11105	0.7
151.97177	0.5
152.04150	1.0
155.97389	9.7
161.09645	1.2
165.05458	6.8
167.06995	0.6
168.97906	1.1
173.98463	19.8
179.07004	22.8
179.10516	2.2
182.05739	0.5
191.99420	0.5
196.02382	0.4
197.00060	1.3
197.06096	0.8
197.08040	12.4
197.11609	2.2
198.18518	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03938	1.5
55.01864	4.6
55.05262	1.4
55.05500	16.2
56.66119	0.8
57.03443	1.1
57.07064	4.3
61.09885	0.8
65.03910	1.3
67.05499	7.6
69.03407	3.0
69.07055	24.8
71.04980	6.0
71.08612	1.2
79.05480	10.5
81.03424	1.0
81.07043	36.6
82.07389	0.8
83.04963	2.6
83.08606	11.9
85.06525	5.6
89.03909	11.8
89.06013	3.0
91.05459	4.9
91.90513	0.9
93.07031	21.2
93.60253	1.0
95.04946	2.6
95.08590	54.3
97.06447	1.1
97.10149	7.4
98.21468	1.7
99.08078	30.9
103.05422	1.4
103.42709	0.9
105.06984	4.4
106.04163	1.9
107.04934	9.8
107.08570	37.8
109.02895	1.4
109.06494	2.3
109.10133	10.8
111.04456	1.6
111.08056	21.3
111.11684	1.4
113.09622	6.6
117.03363	23.6
117.07050	1.0
119.08575	2.0
121.06509	1.8
121.10123	52.3
123.08007	1.3
123.11694	2.1
125.06016	1.3
125.09586	9.0
131.04904	0.8
133.02798	1.2
133.10060	0.9
134.03583	3.6
135.04387	6.7
135.08020	3.7
135.11665	13.6
137.05969	0.9
137.13232	16.0
139.07576	1.0
139.11154	3.6
145.02823	48.7
146.03191	2.2
149.05959	12.9
149.09596	1.4
149.13223	5.7
152.01633	1.4
159.11652	1.4
162.03111	1.5
163.03888	15.0
163.07565	1.7
165.06938	1.0
167.06984	2.6
167.46820	0.9
168.10175	2.0
177.05440	68.5
177.16356	100.0
178.05782	1.8
178.16675	2.4
180.09300	1.1
186.05492	2.4
195.02843	6.8
195.06572	5.7
195.08189	1.9
195.10130	5.0
195.11771	2.6
195.13763	2.2
195.15718	1.6
195.17377	18.3
207.82950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0603
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
70.30625	5.8
70.30920	1.6
70.95856	8.7
72.93769	4.5
80.05019	12.0
87.00817	7.3
88.96893	2.1
90.94812	1.9
92.04986	4.1
104.05003	1.4
108.04465	53.0
109.04869	1.2
110.06027	67.6
111.98453	10.8
113.47997	1.0
127.92488	1.2
127.93494	1.0
129.99474	6.2
131.96170	1.4
131.97459	1.1
132.04427	11.3
132.95798	12.7
136.03922	100.0
137.06158	1.3
146.03189	1.5
149.97188	3.5
150.96866	23.9
151.03793	1.3
155.97406	16.1
160.03926	11.2
161.22144	1.0
169.91740	1.3
172.98836	2.1
173.98473	25.0
178.04948	88.1
179.05339	2.7
188.12906	1.1
196.06003	12.5
196.13507	1.1
196.16982	2.2
197.00284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
51.02349	1.1
53.03927	2.0
55.01858	6.3
55.05499	20.2
57.03434	8.3
57.07054	4.6
59.04993	5.5
65.03912	4.7
67.05491	73.7
69.03402	3.1
69.07053	22.3
71.04979	8.6
71.08588	1.5
71.79078	1.8
72.93758	1.6
73.02878	1.6
79.05477	45.9
81.02927	1.7
81.03403	27.3
81.07040	100.0
83.04964	17.1
83.08611	12.6
84.08111	1.7
85.02889	7.0
85.06516	5.2
89.03904	13.2
89.06015	8.1
91.05462	37.7
93.07025	72.2
94.07369	1.7
95.04946	10.9
95.08584	47.0
97.06521	15.2
97.10121	2.5
99.04453	1.8
99.08070	3.6
103.05444	1.5
105.07007	15.0
107.04922	9.4
107.08572	45.4
109.02875	1.6
109.06488	6.7
109.10130	13.9
111.04405	3.4
111.08056	11.0
113.96362	2.1
117.03362	24.2
117.06986	15.6
118.03617	1.2
119.08577	5.8
121.06473	12.8
121.10120	20.0
123.08038	1.5
123.11665	4.0
125.05999	2.2
125.09583	2.9
129.07025	1.2
130.96265	1.5
131.08546	16.4
131.97433	3.0
133.02806	4.7
133.08585	1.8
133.10101	21.5
134.03596	4.8
135.04422	9.7
135.08023	10.8
135.11664	26.2
136.12036	1.4
137.09598	1.5
137.13222	2.0
138.06587	1.3
138.09137	1.7
139.07498	5.3
145.02815	42.8
146.03142	1.4
148.97334	4.5
149.05948	14.1
149.09575	3.1
149.13226	28.1
149.97162	3.9
151.11137	2.8
153.09070	5.1
153.97847	2.3
154.97751	1.2
159.11661	21.9
162.03188	1.4
163.03873	62.1
164.04187	1.9
165.05620	1.2
165.06937	1.9
167.06952	1.9
167.14246	1.3
167.98199	1.2
168.10152	2.8
171.98944	3.5
172.98741	2.4
177.05437	71.8
177.08940	2.3
177.11249	2.0
177.12704	16.5
177.16302	3.0
178.05850	2.1
180.09285	1.4
186.05438	4.2
195.02855	21.3
195.06509	9.0
195.08022	1.8
195.10097	2.4
195.11783	4.3
195.13766	62.8
195.15556	2.9
196.09694	2.3
196.14136	1.4
196.16949	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03924	2.1
55.01862	1.8
55.05502	6.8
55.84262	1.2
57.03426	1.9
57.07060	7.2
59.04991	1.9
67.05178	1.4
67.05488	8.8
67.95776	1.2
69.03416	2.9
69.07056	15.1
71.04971	3.0
76.22849	1.2
79.05477	10.1
81.06599	2.2
81.07043	29.7
83.04947	2.3
83.08603	8.9
85.02866	1.5
85.06516	2.4
89.03909	16.4
89.06000	3.2
91.05466	8.5
93.07037	18.2
95.04939	2.9
95.07990	2.5
95.08591	41.1
97.10121	2.5
99.08064	6.6
103.05447	2.3
105.07007	5.8
106.04145	2.5
107.04928	17.1
107.08577	35.9
109.10149	12.5
111.04406	2.0
111.08086	3.5
111.11710	1.6
117.03365	35.7
118.03644	1.7
119.08562	2.8
121.06499	2.7
121.09240	2.7
121.10124	53.6
123.11691	34.1
125.05959	1.8
125.09610	8.0
127.50320	1.3
134.03625	4.5
135.04439	8.5
135.08041	2.1
135.11681	16.8
137.05896	1.4
137.13231	72.9
139.11124	3.9
145.02823	74.9
146.03160	1.9
146.79277	1.1
148.97302	2.5
149.05951	17.0
149.07848	2.0
149.09593	2.1
149.13257	7.0
149.97174	3.0
151.07544	2.3
151.14835	1.5
153.05464	1.9
163.03889	17.9
163.07527	3.8
167.07050	3.5
171.98923	1.5
172.98849	1.7
177.05443	100.0
177.12856	2.6
177.16364	60.1
178.05788	3.9
178.16733	1.5
186.05432	3.0
195.02899	6.6
195.06483	6.1
195.08054	1.4
195.10258	6.4
195.13759	2.0
195.15828	1.8
195.17407	37.0
208.37479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
52.76079	1.2
53.03925	4.9
53.83223	1.3
55.01847	5.3
55.05502	17.6
57.03433	7.0
57.07048	6.5
58.90568	1.4
59.04997	8.6
59.05234	1.8
65.03924	3.9
67.05493	71.7
69.03410	3.2
69.07056	24.5
69.12108	1.4
69.96159	1.6
71.01320	1.9
71.04980	8.1
71.79319	2.7
72.93768	2.4
73.02892	1.9
77.03867	1.8
79.05483	46.9
80.04992	1.8
81.03408	21.8
81.07043	100.0
82.07359	1.6
82.35727	1.3
83.04968	17.9
83.08599	13.7
85.02876	5.8
85.06517	4.5
87.04432	1.8
89.03885	9.9
89.06001	12.6
91.05470	30.1
92.79617	1.5
93.07029	70.3
95.04947	14.1
95.08591	55.3
97.06513	15.1
99.08064	3.1
99.83669	1.4
103.05427	2.8
105.04494	1.7
105.07021	16.6
107.04927	8.9
107.08574	60.0
108.08839	1.5
109.06499	5.4
109.10132	25.1
111.04438	3.2
111.08063	11.5
113.96372	2.2
117.03349	24.0
117.06991	13.9
119.08518	5.2
121.06457	10.9
121.10117	23.9
123.08018	2.2
123.11656	4.4
125.05943	1.9
125.09595	4.1
130.96310	1.7
131.08533	13.7
131.96133	3.0
131.97430	2.8
133.02783	5.5
133.08568	3.2
133.10103	15.6
134.03610	2.6
135.04417	11.8
135.08003	11.2
135.11659	28.9
138.06642	1.9
139.07520	9.3
145.02823	51.3
146.03110	1.7
148.97319	4.0
149.02362	1.5
149.05954	15.4
149.09586	3.5
149.13228	38.9
149.14430	2.4
149.97159	7.0
150.06372	1.6
151.11156	2.4
151.14798	2.6
152.05867	1.7
153.09048	7.4
153.97813	1.5
154.97713	3.0
159.11687	18.3
163.03879	73.8
164.04198	4.0
165.07033	1.9
167.07001	2.8
167.08449	1.4
168.10126	4.7
171.98909	3.4
172.98779	2.5
177.05449	74.2
177.09026	2.7
177.12688	12.9
177.16364	5.1
178.05811	3.0
180.09172	1.6
186.05544	2.0
195.02876	20.5
195.06628	9.3
195.08411	3.7
195.11870	4.9
195.13782	94.5
195.15611	5.8
196.06076	1.4
196.09695	3.6
196.14069	1.9
196.16975	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03934	2.5
55.01857	3.2
55.05501	7.7
57.03429	40.0
57.07056	1.9
65.03941	1.6
67.05141	0.7
67.05494	13.9
69.03414	2.0
69.07059	5.8
70.06575	0.9
70.38538	3.5
71.04961	2.0
75.04461	2.8
79.05474	15.3
81.03401	3.2
81.06590	1.5
81.07046	20.1
83.04977	3.9
83.08609	2.4
84.34258	0.8
85.06536	8.5
89.03903	11.8
89.06013	2.7
91.05458	7.9
93.07029	29.0
95.04958	9.6
95.08597	23.1
97.06521	3.6
97.10120	1.0
99.08067	3.1
103.05464	1.9
105.07008	7.6
106.04140	1.2
107.04945	5.7
107.07814	0.7
107.08580	18.2
109.06489	4.0
109.10134	3.1
111.04431	2.6
111.08064	5.1
117.03368	25.2
117.06983	3.4
119.08572	3.2
121.06467	4.9
121.10127	8.7
123.08051	100.0
124.08381	1.3
125.05987	2.1
125.09550	0.9
129.10390	0.8
131.08559	4.6
131.97452	1.0
133.02840	3.6
133.06487	2.6
133.10106	2.3
134.03609	3.1
135.04395	7.2
135.08037	6.6
135.11688	7.1
137.09564	2.4
139.07533	2.1
139.11163	3.3
145.02834	46.1
146.03156	1.9
148.97333	2.2
149.02347	1.0
149.05946	15.7
149.09627	2.2
149.13249	9.1
149.97169	2.1
151.11131	1.6
153.05467	1.8
153.09097	1.3
159.11696	6.0
162.03056	1.0
163.03888	42.1
163.07527	1.9
164.04259	1.8
165.06981	1.5
167.07098	1.7
167.08511	1.5
167.14273	0.8
168.10146	2.4
171.98969	1.7
177.05446	67.9
177.12723	9.1
177.16365	1.6
178.05797	3.2
180.09239	1.0
186.05460	3.6
195.02875	10.2
195.06548	5.2
195.08145	1.6
195.10153	1.7
195.11765	4.1
195.13800	14.4
195.15587	1.6
195.17480	1.6
196.09721	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	195.1376
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03931	9.3
55.01849	4.4
55.05498	33.0
57.03433	20.3
57.07043	3.7
60.14951	3.0
67.05498	28.3
69.03408	4.8
69.07059	56.3
71.04987	24.5
79.05481	67.4
81.07043	65.3
83.08602	11.4
85.06540	8.1
89.03898	15.2
91.05474	47.3
93.07025	100.0
95.04946	14.6
95.08595	24.5
97.06495	4.9
105.04506	3.8
105.07027	30.8
107.04946	19.8
107.08577	76.3
109.06514	22.1
111.08032	3.5
115.05431	5.6
117.03362	24.5
117.07002	25.6
119.08572	26.9
121.06503	24.7
121.10146	19.3
122.07291	4.1
123.08038	20.9
129.06964	7.6
131.08556	45.9
133.02855	4.3
133.06483	7.5
133.10124	10.3
135.04385	6.9
135.08029	14.8
135.11678	17.5
137.09526	4.9
140.70760	3.1
144.09305	9.6
145.02831	55.5
149.05968	9.9
149.13222	21.0
159.11667	29.9
163.03867	55.5
177.05450	77.5
177.12740	24.0
177.16472	5.7
178.05649	3.6
195.02863	6.6
195.06483	7.9
195.11772	6.5
195.13806	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	0.7
55.01866	0.4
55.05500	0.5
55.65220	0.4
55.68540	0.3
57.23899	0.3
63.02377	0.6
64.10554	0.4
65.03932	0.6
67.05502	0.9
68.96356	0.4
68.99786	0.5
69.07056	0.5
71.04261	0.8
78.04704	0.6
79.05491	2.0
81.07059	1.4
83.04974	0.4
85.02925	0.4
89.03356	0.8
89.03909	15.2
89.06013	0.4
91.05488	2.2
93.03410	0.7
93.07053	1.3
95.04974	1.6
95.08614	0.9
103.05465	2.0
105.06993	1.8
106.04160	1.3
107.04950	9.7
107.08584	1.2
109.06506	0.7
111.04431	1.1
115.05442	0.7
117.03369	36.4
117.07022	0.6
118.03677	0.5
119.04965	0.4
119.08612	0.5
121.02872	0.5
121.06521	1.4
121.10081	0.5
123.08076	0.6
124.05206	1.1
125.05993	0.6
130.96313	0.6
131.04903	0.4
132.20908	0.4
133.02885	0.4
133.06459	0.4
134.03632	4.8
135.04401	6.9
135.08037	3.1
135.11676	0.8
137.09578	0.5
139.07530	0.5
145.02837	66.2
146.03160	1.5
148.97321	1.0
149.05963	17.2
149.09660	0.5
149.97189	0.5
153.05475	2.1
153.09065	0.6
153.97960	0.4
154.06233	0.6
158.06023	0.7
162.03120	1.2
163.03894	9.4
163.07529	3.7
165.05522	0.7
165.06935	0.5
167.07024	3.8
168.07808	0.4
171.98898	0.5
177.05453	100.0
177.16461	0.5
178.05803	1.8
180.07852	1.1
186.05545	1.2
195.02863	1.1
195.06458	2.6
195.08362	0.5
195.10141	5.6
195.11823	0.8
195.13831	1.2
213.52048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1012
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.35855	0.5
53.03929	1.4
55.01854	1.2
58.39115	0.4
62.01571	0.5
65.03932	1.0
67.05500	1.0
70.55927	1.4
72.58136	0.5
78.04689	1.0
79.05476	10.7
81.07047	1.2
89.03902	15.8
89.05968	0.5
91.05458	7.6
93.03391	0.9
93.07032	2.4
95.04943	4.7
95.08606	1.0
103.05447	11.0
105.03353	0.7
105.07009	10.7
106.04157	2.2
107.04935	85.8
107.08567	2.6
108.05280	1.0
109.02834	0.6
109.06484	1.2
111.04438	0.7
115.05444	7.5
116.06210	0.6
117.03358	34.3
117.06971	2.1
119.04882	1.0
120.05708	1.9
121.06462	1.8
121.10122	1.0
123.04402	1.8
124.05167	2.5
125.03191	0.5
125.05975	2.0
131.04947	1.3
133.02875	0.6
133.06425	1.1
134.03612	4.0
135.04411	6.1
135.08031	23.6
135.11667	0.6
137.05949	1.0
139.03873	1.5
139.07442	0.6
145.02821	69.4
145.07568	1.6
146.03145	1.5
147.04366	1.9
148.05191	0.7
149.05945	18.4
149.07788	0.9
149.09572	0.8
150.06259	0.7
151.03880	1.0
152.04619	1.2
153.05420	1.6
154.06227	6.7
162.03116	1.4
163.03882	8.6
163.07516	37.2
165.05408	1.7
167.07014	35.0
168.07349	0.7
177.05435	100.0
178.05800	2.4
180.07779	7.7
186.05467	1.5
195.02905	1.1
195.06523	2.8
195.10130	51.9
196.10495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03923	0.6
55.01855	1.6
55.05499	0.3
57.03431	0.6
60.45880	0.2
65.03931	3.6
65.26637	0.3
67.05484	0.3
68.99772	0.3
69.07053	0.6
69.96935	2.0
71.01340	0.3
71.05000	0.3
77.03885	0.4
79.05482	4.9
81.03389	0.4
81.07037	1.2
83.04964	0.3
85.06494	0.3
89.03877	2.2
91.05459	3.8
93.03386	5.4
93.07021	1.3
95.04955	1.7
95.08605	0.8
97.06527	0.4
103.05451	22.6
104.05706	0.3
105.04475	0.3
105.07010	8.1
106.07388	0.3
107.04936	26.5
107.08556	1.4
108.05281	0.4
109.02866	1.7
109.06459	0.6
109.10132	0.4
111.04419	4.5
115.05439	3.5
117.03360	5.0
117.07012	1.4
119.04939	0.7
120.05688	2.5
121.02930	0.3
121.06497	2.1
121.10109	0.9
123.11682	0.4
124.05196	2.0
125.05944	0.9
125.09610	0.3
131.04904	4.2
132.05661	0.4
133.06479	1.0
134.03615	0.6
135.04385	1.4
135.08029	17.8
135.11632	0.5
137.05928	0.3
137.09627	0.3
137.13235	0.3
139.03877	26.7
140.04201	0.4
145.02820	8.9
145.06471	0.5
145.07491	0.5
147.04402	0.3
148.05183	1.3
148.97418	0.3
149.05954	2.6
149.09601	0.3
153.05516	0.6
154.06221	100.0
155.06564	1.6
163.03893	3.0
163.07513	38.0
164.07880	0.4
167.07008	4.0
177.05443	13.8
177.12704	0.5
177.16325	0.8
180.07788	1.2
186.05470	0.3
195.02989	1.2
195.06425	0.8
195.10132	10.5
195.17352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.00319	0.4
55.01836	0.5
65.03932	0.7
67.05489	0.7
68.96314	0.5
69.55171	4.0
78.04696	0.6
79.05479	1.7
81.03415	0.4
81.07043	1.6
83.04950	0.7
83.08625	0.4
89.03902	16.7
89.05568	0.4
89.05997	2.3
90.04212	0.5
91.05463	2.3
93.07033	2.3
95.04969	1.4
95.08598	1.0
98.53268	0.4
103.05441	1.0
105.07034	0.8
106.04150	1.4
107.04929	1.4
107.08576	1.9
109.10169	0.5
109.98938	0.5
117.03359	35.4
121.02811	0.5
121.04823	0.4
121.06497	1.7
121.10139	1.2
123.04369	0.4
125.06012	0.8
133.02838	1.0
134.03613	5.3
135.04405	7.7
135.11655	1.2
145.02823	66.7
146.03168	1.3
148.97324	1.3
149.05957	16.9
149.13319	0.6
149.97159	0.9
153.05482	0.9
153.97957	0.6
158.05997	1.1
162.03081	1.5
163.03880	21.6
165.07014	0.7
167.06949	0.6
168.10161	0.4
171.98918	0.4
172.98798	0.6
176.66173	0.4
177.05440	100.0
177.16345	0.9
178.05820	2.6
180.09290	0.6
185.09024	0.4
186.05482	4.3
195.02846	4.1
195.06540	3.3
195.08084	1.0
195.10117	0.8
195.11963	0.9
195.13835	1.2
195.15628	0.7
195.17397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03937	0.5
56.72624	0.4
62.15559	0.4
63.23418	0.4
65.14496	0.4
70.96844	0.6
70.97187	0.8
72.94666	0.4
78.04717	0.9
79.05489	0.8
79.12466	0.3
84.35832	0.4
87.34296	0.4
89.03911	17.6
91.05475	2.2
93.07034	0.9
95.04963	0.9
103.05450	1.0
106.04153	1.3
107.04974	1.3
109.06516	0.5
111.04420	0.5
117.03369	38.7
118.03667	0.9
121.06496	1.6
125.06073	0.5
134.03638	6.2
135.04407	6.8
145.02835	74.0
146.03189	1.6
149.05972	17.9
153.05446	1.8
162.03122	1.7
163.03883	8.9
167.07033	0.5
177.05455	100.0
178.05800	2.9
186.05493	1.7
195.02957	0.4
195.06526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.56345	0.4
53.00284	0.4
55.01866	0.5
55.05501	1.0
62.30141	0.5
65.03914	0.7
67.05509	0.7
69.07054	0.9
70.69502	1.5
71.04997	0.4
77.03902	0.4
78.04740	0.5
79.05483	1.4
80.05791	0.5
81.07070	0.6
89.03900	15.8
89.06039	1.0
90.57652	0.5
91.05483	1.5
93.07019	1.1
95.04967	1.8
95.08613	1.0
103.05432	1.5
105.06995	0.9
106.04156	1.3
107.04944	7.9
107.08590	1.4
109.06556	0.6
109.10178	0.6
111.04375	0.6
115.05476	0.6
117.03362	35.7
121.06470	1.7
121.10121	1.2
125.05974	1.0
134.03601	5.2
135.04404	6.2
135.08041	1.5
135.11699	0.9
145.02823	72.5
146.03180	1.4
147.60078	0.4
148.97339	0.7
149.05960	16.2
149.82599	0.5
149.97156	0.6
153.05479	0.8
153.97789	0.4
162.03098	1.5
163.03871	9.9
163.07538	2.1
167.07025	2.1
167.08463	0.7
171.98981	0.8
177.05438	100.0
177.16341	0.6
178.05862	2.2
180.07692	0.6
186.05453	1.9
195.02887	1.6
195.06444	2.0
195.08141	1.1
195.10066	3.6
195.13734	0.6
195.15625	0.5
206.71983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05507	0.6
59.40846	0.4
63.02343	0.5
65.03926	0.8
67.05493	1.1
68.38860	0.4
70.05856	0.7
70.06264	1.5
71.04978	0.4
77.79549	0.4
78.04716	0.5
79.05464	2.1
79.32476	0.4
81.07049	2.7
83.04961	0.6
84.08120	0.4
89.03903	16.8
89.06029	1.6
91.05483	2.3
93.07024	2.5
95.04948	1.2
95.08602	1.7
98.21348	0.6
101.85139	0.4
103.05469	0.9
105.07021	0.5
106.04159	1.5
107.04958	2.0
107.08601	1.8
111.04426	1.2
117.03360	35.6
117.06995	0.6
118.03719	0.5
119.04879	0.4
121.06492	1.8
121.10155	0.8
123.04342	0.4
133.02815	1.0
133.06445	0.5
133.08560	0.4
133.10117	0.5
134.03612	6.0
135.04404	7.2
135.11694	1.6
145.02823	68.2
146.03175	1.4
148.97348	0.7
149.05960	17.5
149.07159	0.9
149.09578	0.6
149.13239	1.0
150.06235	0.6
153.05415	0.4
153.97862	0.6
158.06027	1.2
159.11708	0.5
162.03081	1.7
163.03879	18.8
164.04181	0.6
165.06956	0.5
170.71300	0.4
171.98938	0.6
172.69525	0.4
177.05440	100.0
177.12694	0.9
177.16376	0.8
178.05875	2.0
180.09268	0.6
186.05463	3.1
195.02856	3.0
195.06509	3.1
195.08090	0.8
195.11678	1.1
195.13788	1.2
195.15666	0.5
195.17444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.83493	0.8
53.03927	1.5
55.01854	1.2
55.05487	2.8
56.79087	0.7
57.07066	4.4
59.04974	1.2
61.99997	0.7
66.45124	0.6
67.05495	9.4
69.03394	1.9
69.07050	8.3
71.58252	1.5
71.58611	1.2
79.05482	5.1
81.03419	3.8
81.07047	10.1
83.04990	1.2
83.08580	2.6
85.06533	1.8
91.04998	0.7
91.05482	8.0
93.07029	7.4
95.04926	3.2
95.08000	1.5
95.08598	26.7
99.08085	1.0
103.05457	1.7
105.06332	1.5
105.07016	22.2
107.08579	9.4
109.06480	2.7
109.10144	28.6
115.05427	2.1
117.06979	2.5
119.08567	56.4
120.08886	0.8
121.10129	4.4
123.08040	3.1
123.11709	2.4
125.11024	0.7
126.96059	0.7
129.06975	1.0
131.08534	2.9
133.06491	6.6
133.10114	61.1
134.10774	1.2
135.07979	0.8
135.11676	16.7
136.12012	1.0
137.09613	8.9
143.06023	0.8
145.10100	4.2
147.08000	1.8
147.11674	16.1
149.13251	4.5
149.31200	0.8
151.14830	5.7
160.12444	2.7
161.05946	8.3
172.93109	0.8
173.13203	1.6
175.14799	100.0
176.15152	3.3
179.37614	0.7
193.04979	3.7
193.07047	0.8
193.08601	5.7
193.12204	1.7
193.15860	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	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	4.2
53.23600	1.0
55.01868	5.3
55.05502	50.7
57.03409	4.3
57.07053	3.1
58.27887	1.0
59.04986	2.4
66.04678	0.9
67.05492	27.8
69.03416	2.8
69.06725	1.8
69.07060	20.5
70.80553	1.1
70.96759	2.7
71.04976	3.8
75.21329	1.0
79.05479	21.7
81.03413	1.8
81.07043	48.0
83.04966	100.0
83.08596	4.8
85.06523	2.7
91.05464	36.5
93.07018	18.2
95.04962	7.0
95.08585	30.9
97.06511	4.9
99.08074	1.8
103.05471	6.8
105.07014	53.4
106.07362	1.3
107.08574	22.8
109.06493	9.6
109.10139	42.6
111.08071	6.7
111.11680	2.9
115.05431	7.9
118.04136	4.7
119.08565	29.2
121.10129	7.5
123.08015	7.5
123.11696	8.3
124.88090	1.1
125.09612	2.6
131.04787	1.1
132.05695	1.6
133.02847	1.2
133.06476	40.0
133.10103	31.7
135.11667	23.7
137.09602	23.9
143.06018	2.7
145.75609	1.0
147.11688	7.2
148.07504	1.5
149.13217	4.5
151.11166	2.7
151.14792	1.1
160.12384	1.3
161.05960	50.0
162.50667	1.1
165.16299	1.7
175.14799	35.8
176.15129	1.4
178.02551	1.3
178.06178	2.9
193.04953	6.2
193.08601	15.4
193.15857	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05264	1.1
55.05503	12.3
57.07064	3.6
59.04985	1.5
65.03915	0.8
67.05497	9.6
69.03416	0.8
69.07059	15.1
69.46603	0.8
69.47243	7.3
71.04951	0.9
73.27588	0.7
79.05473	3.5
81.07047	10.9
83.04972	5.9
83.08599	2.0
85.06539	1.1
91.05460	6.8
93.07031	7.8
95.04942	1.0
95.08592	28.4
98.21427	1.9
101.41107	0.8
105.07017	15.1
107.08578	12.0
109.06493	1.8
109.09394	1.3
109.10144	26.7
117.06977	1.2
118.77071	0.7
119.08562	53.2
121.10098	7.1
123.08053	4.4
123.11674	2.6
131.08545	1.7
133.06453	1.3
133.10112	62.9
135.11668	17.6
137.09604	14.8
145.10077	3.4
145.30518	0.7
145.72035	0.8
147.11655	13.7
149.13266	5.5
151.11163	1.3
151.14793	5.0
155.46364	0.8
159.11649	1.2
160.12473	2.5
161.05928	2.5
173.13246	1.2
175.14799	100.0
176.15141	2.9
193.04997	1.0
193.15865	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	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02077	0.9
53.03934	1.5
55.01862	1.9
55.05499	10.8
55.20296	1.1
57.03412	1.1
57.07034	1.8
57.59544	0.9
58.83633	1.0
59.04978	2.9
67.05495	11.7
69.03400	1.3
69.07054	30.3
69.89468	7.2
71.04982	14.6
72.33168	0.9
79.05477	7.8
81.03407	2.0
81.06598	1.4
81.07043	19.5
82.07378	1.1
83.01305	1.4
83.04953	1.7
83.08593	3.7
85.06525	10.7
87.04440	1.8
91.05457	8.4
93.07027	29.7
95.04946	32.5
95.08588	21.2
97.06502	3.6
97.10170	9.4
98.21468	1.1
99.08067	7.2
103.05412	1.9
104.33652	1.1
105.07023	18.9
107.08572	34.6
108.04465	1.2
109.06500	100.0
109.10136	18.1
110.06830	1.4
111.08087	5.4
111.11694	2.8
115.05442	1.5
119.04910	1.1
119.08566	31.1
121.10112	10.6
123.04494	1.1
123.08059	5.7
123.11687	22.0
131.08563	1.6
133.02841	3.1
133.06427	4.7
133.09143	2.1
133.10103	24.9
135.08057	2.1
135.11667	43.3
136.07579	1.1
137.05928	2.1
137.09579	13.9
146.97447	1.9
147.07954	1.5
147.11649	10.2
149.02361	1.7
149.05954	1.1
149.13208	8.6
151.07430	1.1
151.11147	4.8
160.12451	1.1
161.05962	5.5
165.05470	2.2
166.08636	2.0
169.98973	1.1
175.11095	1.3
175.14793	46.2
176.10593	1.1
176.15132	1.7
178.02603	3.3
193.03177	1.7
193.04924	21.3
193.06644	2.1
193.08583	3.6
193.10179	2.1
193.12167	4.4
193.15852	84.6
194.08138	3.6
194.15529	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	193.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.05260	1.2
55.05502	14.5
57.07055	3.0
59.04984	1.2
67.05499	9.4
69.03413	0.8
69.07057	12.8
70.84406	3.0
79.05480	4.5
81.06582	1.2
81.07035	12.3
83.04973	6.3
83.08598	3.1
83.11019	0.7
85.06532	1.9
91.05466	7.7
93.07022	9.5
95.04925	1.2
95.08588	29.5
103.05466	1.0
105.07009	18.5
107.08577	10.2
109.06487	2.9
109.10137	26.8
111.08035	1.4
114.22201	0.9
115.05453	1.5
117.07003	1.6
119.08558	55.7
121.10123	6.3
123.08035	3.6
123.11600	2.2
129.40588	0.8
131.08545	1.5
133.06462	4.1
133.10103	65.4
134.10838	0.9
135.11667	19.2
137.09592	13.9
145.10123	3.7
147.11655	15.4
149.13188	5.5
151.14777	6.5
159.11725	1.2
160.12453	3.8
161.05971	3.0
168.87968	0.8
175.14793	100.0
176.15158	2.1
178.02599	1.2
193.04953	4.3
193.15848	23.5
193.17549	1.6
195.69856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03925	1.8
55.01855	1.7
55.05505	9.9
57.03408	1.5
57.07061	4.3
59.04976	1.5
61.19853	0.6
65.03927	1.2
67.05496	17.7
69.03407	2.1
69.06686	0.6
69.07053	11.1
69.45146	0.6
70.14870	1.8
70.15268	1.6
71.04967	2.3
79.05068	1.0
79.05484	12.6
81.02927	1.5
81.03405	28.6
81.06598	1.0
81.07043	18.4
83.04967	4.7
83.08613	6.6
85.06529	2.4
91.04910	1.0
91.05461	15.3
93.07027	13.0
95.04953	14.0
95.08590	30.6
96.05312	0.7
97.02839	1.7
97.06515	0.9
97.10173	1.1
103.05451	5.1
105.07014	48.7
107.04959	1.9
107.08575	19.4
107.73110	0.7
109.06501	4.5
109.10141	32.9
110.10448	0.7
111.04418	1.0
111.08041	1.9
115.05446	5.3
117.06988	3.1
118.04135	2.9
119.08563	60.9
120.08900	1.0
121.06479	1.0
121.10124	9.5
123.08055	6.8
123.11691	3.8
125.05934	0.9
127.71145	0.7
129.06950	2.0
131.04921	1.6
131.08539	3.4
133.02795	2.2
133.06470	27.3
133.10106	67.0
134.10446	0.9
135.08022	2.1
135.10614	1.2
135.11671	24.6
137.05934	2.1
137.09616	13.3
142.07709	0.7
143.06021	1.9
145.10086	4.6
147.04358	1.0
147.07971	1.7
147.10544	1.3
147.11667	19.0
148.11964	0.9
149.09552	1.6
149.13245	6.8
151.11159	1.3
151.14801	5.6
157.10095	2.6
160.12450	3.2
161.05956	32.7
162.06311	1.0
165.05396	0.9
165.09079	0.8
173.13254	1.0
175.07547	1.4
175.11443	3.5
175.14795	100.0
176.15135	2.3
178.02605	1.5
178.06197	0.9
193.04938	13.5
193.06729	1.4
193.08560	9.2
193.10225	1.3
193.12186	6.0
193.15855	26.1
198.55052	0.8
209.47537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03921	2.4
55.01863	2.2
55.05503	11.4
55.58444	1.2
57.03432	1.7
57.07069	6.6
65.03928	2.0
67.05497	12.0
69.03413	2.1
69.07053	13.9
69.69304	10.5
69.69669	1.1
71.04995	7.5
79.05479	21.2
81.03404	9.9
81.07047	23.9
82.21572	1.1
83.01353	2.0
83.04955	4.4
83.08611	7.8
85.02898	1.3
85.06526	5.1
91.05459	16.7
93.06493	2.3
93.07033	31.5
95.04946	8.1
95.08588	32.2
97.02895	2.4
97.06487	5.3
97.10157	1.3
99.08099	2.5
103.05448	4.5
105.07015	48.1
107.04926	2.8
107.08579	46.7
109.06484	5.2
109.10139	19.6
111.08042	3.6
113.09586	1.9
115.05437	3.4
117.06968	3.3
118.04121	2.4
119.06171	1.7
119.08566	66.5
121.10110	13.5
123.08057	11.3
123.11697	11.2
125.09599	2.9
129.06960	2.1
131.08505	2.7
133.02821	4.4
133.06476	18.4
133.10112	86.1
134.10406	1.6
135.07990	2.1
135.11671	93.3
136.11990	2.4
137.09599	10.9
143.05942	1.5
145.10110	1.8
147.08028	1.3
147.11653	15.0
149.02296	2.4
149.13222	9.6
151.11125	1.7
151.14799	2.2
160.12495	1.6
161.05951	17.2
165.09090	1.4
175.07495	2.0
175.14799	100.0
176.15150	2.6
178.02635	2.1
181.77713	1.4
193.04916	14.2
193.08582	10.3
193.12221	3.8
193.15858	62.2
194.15965	1.2
199.81120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.122
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03927	6.9
55.01855	6.5
55.05497	13.0
57.03428	94.6
57.07047	3.0
65.03934	2.2
67.05492	27.8
69.03407	6.2
69.07045	7.1
69.70160	12.2
71.04976	3.5
75.04442	3.5
79.05470	21.7
81.03400	36.5
81.07043	21.9
83.04962	8.1
83.08607	7.9
85.06528	10.7
87.53441	1.7
87.71613	1.6
91.05463	67.3
93.07026	66.6
95.04952	35.2
95.08582	10.8
97.02877	2.3
97.06521	6.1
99.08050	3.4
101.13261	1.7
103.05451	7.0
105.04489	2.3
105.07013	73.6
106.07394	2.1
107.04909	9.7
107.08570	18.6
109.06474	8.1
109.10130	17.1
111.04409	2.7
111.08059	2.5
115.05460	10.6
117.07014	8.2
118.04144	4.5
119.05000	1.9
119.08556	100.0
121.06482	54.1
121.10112	5.7
123.04459	1.7
123.08050	5.6
123.11630	4.0
129.06990	7.1
131.04893	1.9
131.08543	5.1
133.02841	11.0
133.06465	38.0
133.10103	37.0
134.06758	2.5
135.07980	8.7
135.11662	12.1
137.05925	3.5
137.09595	23.7
142.07768	9.7
143.06024	1.9
145.10066	1.8
146.07246	10.3
147.08029	37.8
147.10550	3.2
147.11665	50.3
148.12109	2.1
149.05984	2.3
149.09607	2.5
149.13144	1.8
151.07544	1.8
157.10057	10.8
160.08817	7.5
161.05960	40.4
161.07289	2.0
165.09117	3.3
165.12743	2.0
175.03821	2.2
175.07518	1.9
175.11148	55.6
175.14774	22.9
178.02553	6.5
178.07944	1.6
183.68053	1.6
193.04922	37.1
193.06688	3.2
193.08542	15.7
193.10391	2.9
193.12206	24.2
193.15897	9.5
194.15321	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	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03938	0.6
54.15063	0.2
55.01864	1.3
55.05505	1.4
57.03428	9.0
65.03936	1.0
67.05492	1.6
69.03422	0.4
69.07069	1.2
71.45917	0.6
74.31044	0.2
79.05484	3.1
81.03407	4.1
81.07055	1.7
83.01345	0.3
83.04963	1.5
83.08595	0.6
91.05468	100.0
92.05797	2.0
93.03409	0.3
93.07020	1.2
95.04953	2.7
95.08598	2.0
97.06573	0.3
99.08073	1.0
103.05446	3.3
104.77288	0.2
105.03389	0.4
105.07018	20.9
106.07365	0.4
107.04935	0.7
107.08578	1.2
109.06501	0.5
109.10152	2.1
115.05434	4.5
118.04169	1.5
119.04915	0.4
119.08572	3.5
121.10110	0.6
123.08054	0.7
123.11680	0.4
129.06998	0.3
131.04930	1.0
131.08580	0.3
133.02855	1.5
133.06474	18.0
133.10121	4.0
134.06755	0.4
135.11679	1.8
137.05962	1.1
137.09610	1.1
143.04973	0.4
143.06033	1.0
147.04370	1.1
147.06442	0.4
147.08023	0.6
147.11641	1.6
149.05945	0.5
155.00298	0.2
161.05963	23.4
162.06325	0.6
165.05531	0.3
165.06978	0.4
165.09093	0.9
175.07516	0.5
175.11237	0.4
175.14824	4.6
178.02589	0.8
178.07828	0.3
192.99532	0.5
193.04939	4.9
193.08578	14.3
193.12222	0.8
193.15855	2.2
194.08940	0.4
194.11792	0.7
194.15437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.93038	0.2
53.03933	0.4
55.01862	0.5
55.05501	1.5
56.84473	0.2
57.03418	0.4
57.07069	0.5
59.04989	0.9
66.04720	0.4
67.05505	1.5
69.03426	0.5
69.07056	1.8
71.07900	0.7
71.08266	0.3
77.03913	0.6
79.05479	1.4
81.03422	0.4
81.07043	1.5
83.04977	1.5
83.08603	0.4
89.03918	0.7
90.04671	0.2
91.05469	2.7
93.07047	1.6
94.04195	0.7
95.04950	1.1
95.08595	3.7
97.06513	0.5
103.05459	1.2
105.03417	1.1
105.07026	11.2
107.04935	0.5
107.08577	2.5
109.06511	0.6
109.10149	3.1
115.05453	1.6
117.03353	0.3
117.07047	0.2
118.04155	1.0
119.04945	0.4
119.08575	6.4
121.10133	0.8
122.03634	4.2
123.04349	0.3
123.08061	0.6
123.11677	0.4
131.04890	0.4
131.08545	0.4
133.02844	32.8
133.06476	7.9
133.10120	7.7
134.03249	0.5
135.04375	0.3
135.11687	4.5
137.05971	9.3
137.09586	1.9
143.04936	0.2
143.05986	0.5
145.10066	0.5
147.04399	0.8
147.11658	2.6
149.05962	2.7
149.13216	0.4
150.03105	2.6
151.11218	0.4
151.14804	0.7
161.02324	0.6
161.05963	10.6
165.05467	3.9
175.07291	0.3
175.14821	10.9
178.02606	18.6
193.04953	100.0
193.15877	2.7
194.05284	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	192.0765
Annotation	Carbendazim
Peak:m/z	Relative Intensity
59.04977	0.2
63.19884	0.2
65.03889	0.2
69.07034	0.4
69.74624	1.5
70.06572	0.2
72.08115	0.2
76.60612	0.2
79.05449	0.4
81.03387	0.2
82.07370	0.2
86.09655	0.6
91.05444	0.6
92.04977	0.3
93.07016	0.3
94.06529	0.3
94.07361	0.2
95.04961	0.5
95.08554	0.3
97.02872	0.2
103.05421	0.5
105.04481	0.3
105.07011	2.8
106.06535	0.3
106.07298	0.5
107.04922	0.2
107.08495	0.3
109.10120	0.3
110.07152	1.1
115.05404	0.5
118.04103	0.3
118.06466	0.2
119.08543	0.5
120.04424	0.3
120.08916	0.2
121.06447	0.6
121.10082	0.2
131.08566	0.3
132.05551	2.0
132.08881	0.6
133.02814	0.5
133.06456	2.3
133.10114	1.1
134.10469	1.8
135.05495	0.2
135.11684	0.3
136.08342	0.3
146.06010	1.0
146.10504	0.3
147.11641	0.3
148.07567	0.3
148.12004	0.5
150.96870	0.2
159.11227	0.3
160.05038	100.0
161.05853	2.4
161.46626	0.2
164.07053	0.4
174.13582	1.1
175.14818	0.4
177.07855	0.2
178.02602	0.3
192.07677	27.4
192.10077	1.1
192.14502	0.6
192.17436	0.5
193.04892	1.5
193.08479	0.8
193.12277	0.2
193.15857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.09146	0.8
55.05505	7.4
56.78838	0.8
57.07053	2.2
59.42876	0.8
65.03911	0.8
67.05492	6.0
69.07060	18.4
71.05000	0.9
79.05486	6.3
81.07037	9.3
81.31186	1.0
83.04935	1.0
83.08620	6.1
91.05457	3.6
93.07033	25.0
95.04932	1.3
95.08595	42.0
97.10152	4.8
105.07001	4.8
107.08580	30.3
109.06477	1.3
109.10140	20.6
110.05991	1.5
111.11687	2.0
119.08553	1.4
121.06464	0.9
121.10129	43.9
122.10479	1.2
123.11698	3.0
131.08591	0.9
133.10100	2.6
135.07999	2.1
135.11674	33.9
145.10120	1.6
146.06062	1.5
147.11620	1.0
149.13239	7.8
163.14799	1.8
173.09630	1.0
173.13173	1.2
177.07779	1.2
180.15556	0.8
191.06828	1.0
191.10661	5.2
191.14371	5.1
191.17918	100.0
192.06516	3.0
192.08435	0.9
192.10152	4.4
192.18343	1.9
193.08182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05501	9.5
57.07056	2.6
57.77584	0.5
59.03662	0.6
59.04995	0.8
60.69090	0.6
65.03934	0.7
67.05495	9.3
69.03429	1.1
69.07056	25.1
71.04988	0.8
78.57972	0.6
79.05477	9.2
81.07040	10.8
83.04967	1.2
83.08597	9.8
85.17013	0.7
86.90146	0.6
91.05463	6.9
93.07030	30.5
95.04959	1.0
95.08591	56.6
96.08865	0.9
97.06490	0.7
97.10168	5.8
103.05422	1.2
105.07005	7.1
107.04898	0.9
107.08575	36.8
108.08866	1.0
109.06470	2.2
109.10142	24.7
111.11697	1.9
119.08578	3.1
121.06512	4.1
121.10129	50.8
122.10468	1.2
123.08036	2.0
123.11691	5.3
130.74110	0.6
131.08543	3.0
133.10091	5.8
135.04364	0.9
135.08009	5.1
135.11671	38.4
136.12001	1.1
145.10104	3.3
146.05981	1.1
147.11638	2.4
148.07527	1.0
149.09589	2.1
149.13240	11.5
150.02632	1.0
158.07336	1.4
158.10896	0.9
160.05083	0.8
163.11183	1.2
163.14815	2.5
164.07082	0.8
173.09587	2.9
173.13216	4.1
179.57498	0.7
183.63376	0.7
191.03397	1.2
191.06949	1.9
191.08533	2.2
191.10646	12.2
191.14311	11.1
191.17915	100.0
192.06546	2.6
192.10179	2.7
192.13774	0.9
192.18216	2.4
193.45439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03922	1.2
55.05501	8.9
57.07055	2.6
67.05494	9.7
67.58386	0.7
69.07059	25.1
79.05485	7.9
80.30888	0.7
81.07045	11.5
83.08153	1.0
83.08606	9.6
91.05468	4.1
93.07030	29.0
95.04957	1.1
95.08593	57.5
97.10151	6.1
98.20544	1.5
103.05373	0.8
105.07014	3.8
107.08577	35.4
109.06475	0.9
109.10143	27.3
111.11723	2.0
119.08596	1.8
121.10127	55.5
123.08021	1.0
123.11665	4.5
131.08464	0.9
133.10127	2.6
135.11676	39.0
147.11684	1.6
149.13249	10.2
163.14804	1.7
191.10645	2.5
191.14380	4.1
191.17923	100.0
192.10182	1.7
192.18309	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01858	1.7
55.05494	3.2
57.07074	1.3
67.05489	8.4
69.03414	2.1
69.07056	5.7
69.74941	1.4
69.87878	0.9
69.97458	5.2
71.04710	0.8
71.04987	7.8
79.05500	5.6
81.07048	8.8
83.04955	1.6
83.08617	1.7
85.06525	4.1
91.05470	15.8
93.07038	10.7
95.04939	7.1
95.08599	8.9
97.06526	5.6
103.05445	2.5
105.06320	2.0
105.07015	35.2
107.04921	2.2
107.08581	16.6
109.06508	43.4
109.10146	37.8
111.08070	2.2
115.05444	2.2
116.06233	1.5
117.06989	5.4
119.08572	13.3
121.06483	2.9
121.10127	14.3
123.08053	9.4
129.06949	2.9
131.04939	2.2
131.08553	40.6
133.10114	100.0
134.10442	1.8
135.08034	45.2
135.11658	3.7
143.08495	5.5
144.09291	1.1
145.10118	15.0
147.08037	1.1
147.11667	20.6
148.12424	0.9
149.09616	13.4
149.13239	8.3
150.10367	1.8
151.78738	1.1
157.01204	1.0
158.10915	8.6
161.09702	1.1
163.07486	1.4
163.11136	2.5
163.14807	1.9
173.09682	1.6
173.13246	58.9
174.13589	0.9
176.11850	1.3
191.06978	5.8
191.10683	2.1
191.14288	64.8
192.14630	1.2
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
53.03924	0.4
55.01842	0.5
55.05498	2.4
57.07056	0.6
59.04980	0.3
67.05502	1.5
69.03419	8.1
69.07053	3.2
69.76583	2.0
71.04968	0.7
79.05482	2.7
81.07043	1.9
83.04964	7.5
83.08602	1.0
85.06527	0.6
87.87761	0.2
91.05465	3.0
93.07039	3.6
95.04936	0.6
95.08613	1.7
97.06499	0.8
98.21354	0.4
103.05439	1.0
105.07014	5.0
107.04923	0.6
107.08578	13.7
108.08907	0.3
109.06508	1.4
109.10136	1.0
115.33690	0.3
116.00894	0.2
117.07002	1.0
118.04087	0.4
119.08562	4.0
121.06462	3.1
121.10128	7.2
121.15400	0.3
123.08049	1.2
129.06970	0.7
130.07713	0.3
131.04912	1.1
131.08540	6.0
133.06493	0.3
133.10112	10.5
133.11143	0.5
134.10855	0.4
135.08037	7.8
135.11665	1.0
136.08760	0.9
137.09564	0.9
143.08545	2.2
144.09264	0.4
145.10123	2.9
147.07985	0.4
147.11650	3.8
148.05156	0.5
148.08821	0.6
149.09596	2.3
149.13223	3.2
158.10883	4.3
161.09589	3.2
163.07481	1.0
163.14804	1.1
173.13242	9.6
173.14769	0.5
176.11942	1.6
191.07001	1.3
191.14281	100.0
192.14626	2.0
194.99132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	5.4
58.98476	1.7
59.04991	1.5
62.81323	1.5
67.05489	6.9
69.03412	3.2
69.07076	7.8
70.05068	1.6
71.03174	1.6
71.04977	5.4
71.57090	3.1
77.75613	1.7
79.05474	6.6
81.07036	9.0
83.08590	2.5
85.06535	3.0
91.05473	18.5
92.22089	1.8
93.07034	11.1
95.04959	8.8
95.08575	10.6
97.06505	5.4
103.05446	3.6
105.07018	44.9
107.08579	20.3
109.06499	25.3
109.10149	23.6
114.05509	2.0
115.05378	1.8
117.07011	5.4
119.08557	30.9
121.06499	2.3
121.10139	14.5
122.74282	1.5
123.08089	8.7
123.11677	2.8
129.07034	2.0
131.07605	1.3
131.08548	37.9
133.10112	100.0
134.10449	2.4
135.08038	29.2
135.11621	1.7
143.08537	5.5
145.10123	17.4
147.11668	25.9
149.09610	12.3
149.13251	16.0
155.65860	1.6
158.10934	11.1
173.13237	56.4
191.06996	2.6
191.14281	49.2
192.10054	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	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.60778	0.9
53.00322	0.9
53.03932	2.1
53.51366	0.9
55.01850	0.8
55.05500	7.4
57.07069	1.0
63.90500	0.9
65.03919	1.5
66.33689	1.0
67.05490	4.9
69.03416	21.3
69.07052	12.9
69.99746	3.8
70.00172	2.4
71.04980	2.2
71.78909	1.1
79.05479	11.4
81.07043	9.3
83.04958	4.8
83.08600	1.7
85.06519	2.3
91.05462	23.5
93.07026	10.3
95.04940	1.9
95.08591	9.7
97.06519	3.9
103.05441	5.2
105.07011	70.9
107.04925	2.5
107.08572	25.6
109.05858	1.1
109.06491	7.0
109.10140	3.8
111.08061	5.0
115.05463	2.1
116.06232	2.0
117.06998	9.8
118.48049	1.1
119.08558	100.0
120.08885	1.4
121.06492	6.8
121.10130	15.0
123.08038	7.6
127.57428	1.0
129.06970	2.0
131.04875	3.5
131.08539	19.5
131.09442	1.8
132.09328	3.0
133.10097	21.8
135.08032	18.3
135.11649	4.1
136.08820	1.1
143.08534	4.7
145.06401	1.1
145.10109	15.7
146.36011	0.9
147.11658	45.2
149.09589	36.3
149.13208	7.0
150.10248	1.1
158.10941	6.4
160.05035	5.4
161.09563	1.7
163.07486	3.2
163.11116	2.6
163.14767	2.7
173.13229	23.5
176.11972	1.1
186.78127	0.9
191.06966	4.2
191.08626	4.5
191.10611	4.3
191.14278	69.1
192.14609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89403	1.4
55.05498	3.4
57.07066	1.3
57.26770	1.6
59.04987	2.5
67.05479	5.3
67.44715	1.5
69.03419	2.2
69.07069	7.3
71.04976	8.3
71.08637	1.4
71.31032	2.8
72.53691	1.2
79.05476	6.8
81.07047	7.9
83.08587	2.7
84.49522	1.4
85.06534	4.0
91.05461	15.0
93.07027	7.7
95.04949	8.3
95.08592	6.9
97.06522	7.5
103.05474	2.0
105.06325	2.3
105.07025	38.0
107.08580	19.7
109.06510	22.5
109.10136	23.1
109.82709	1.3
110.10561	1.3
111.08048	1.6
115.05389	2.3
117.07006	4.9
119.08575	26.1
121.06480	2.5
121.10115	12.9
123.08074	9.6
123.11688	4.1
129.06995	2.1
131.08551	38.1
133.10112	100.0
135.08035	30.5
143.08546	6.5
144.09323	2.1
145.10101	18.9
146.10355	1.9
147.11679	31.0
149.09544	8.8
149.13234	16.1
158.10861	10.0
163.11188	2.4
163.14810	1.6
173.13237	51.7
191.07021	1.7
191.14290	51.9
192.14626	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	190.0496
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.65232	0.2
63.78182	0.3
71.46954	0.4
71.47280	0.2
84.17382	0.2
89.03901	0.7
99.72447	0.2
116.04956	2.5
134.05984	0.3
136.96799	0.2
139.96512	0.2
144.04382	0.5
162.05472	100.0
163.05832	2.0
164.05894	0.2
172.07571	0.3
190.04961	44.6
191.05290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1063
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03947	0.1
55.01858	0.1
55.05492	1.2
57.07080	0.1
57.48536	0.1
65.03897	0.1
67.05482	0.4
69.03413	0.5
69.07053	0.3
77.03909	0.2
79.05483	0.8
81.07037	0.6
83.04965	1.0
83.08598	0.2
91.05454	1.3
93.07034	0.9
95.04951	0.4
95.08571	0.7
97.06499	0.2
98.20692	0.4
103.05460	0.3
105.07018	2.6
107.04970	0.6
107.08566	1.7
109.06519	0.7
109.10132	0.7
115.05441	0.5
116.06197	0.1
117.06998	1.2
119.08557	1.1
121.06484	23.3
121.10126	0.9
122.06830	0.3
123.08062	0.3
123.11716	0.2
128.06244	0.2
129.06979	0.3
130.07791	0.6
131.04901	0.1
131.08551	1.6
133.06491	0.1
133.10112	2.6
135.04401	6.3
135.08028	12.6
135.11667	0.5
136.08336	0.3
143.08549	0.5
144.09290	0.1
145.06532	0.6
145.10103	10.5
146.10477	0.2
147.08014	0.4
147.11661	1.9
149.09583	3.0
149.13272	0.4
153.06999	0.3
154.07733	0.2
155.08534	4.0
156.08781	0.1
158.07245	7.9
158.10861	0.5
159.07610	0.1
161.05925	0.2
161.09586	0.3
163.07446	0.2
163.11140	0.4
173.09593	16.4
173.13148	1.4
174.09946	0.5
183.09128	0.2
191.10637	100.0
192.11000	2.7
199.06017	0.1
202.18472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05491	4.9
57.03421	2.0
57.07061	3.0
59.04988	1.9
67.05476	5.3
69.03400	3.3
69.07060	8.5
70.19891	6.2
71.04968	3.4
78.91397	1.3
79.05486	7.8
81.07056	9.4
82.38814	1.4
83.04961	3.0
83.08599	4.3
85.06512	4.3
87.13792	1.2
89.53166	1.2
91.05460	19.9
93.07023	12.8
95.04960	5.0
95.08585	8.5
97.06504	5.9
99.29703	1.4
103.05453	4.3
105.07014	39.7
107.07880	2.7
107.08573	31.5
109.06491	12.6
109.10141	13.6
115.05401	2.7
116.95457	1.4
117.06996	7.1
118.04197	1.7
119.08555	30.9
121.06490	4.0
121.10132	23.3
123.08049	5.0
123.11732	3.4
125.24344	1.4
129.06966	3.3
131.04935	3.9
131.08551	40.8
133.10107	100.0
135.08031	21.7
135.11678	3.8
143.08548	8.6
144.09300	3.9
145.06479	2.2
145.10080	20.4
147.11646	15.8
149.09589	5.0
149.13248	25.7
158.10896	15.8
161.13237	2.2
163.07523	5.1
163.11160	4.7
163.14807	4.4
171.11707	1.6
173.05910	3.3
173.13239	72.5
174.13524	1.5
186.16902	1.6
191.06979	7.5
191.10652	4.5
191.14291	52.0
192.10129	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69879	1.0
69.03416	3.3
77.53432	1.0
80.93166	0.9
85.92778	0.9
91.05495	4.8
96.70202	0.9
105.07027	8.4
107.08612	1.2
112.05845	1.0
117.07009	3.4
119.08561	10.9
128.06166	1.8
129.06987	3.0
130.07744	2.6
131.08560	4.1
133.10143	3.5
141.06973	5.6
143.08530	4.5
144.09276	1.9
145.10120	16.8
146.10925	1.1
147.08034	4.3
147.11662	12.8
155.08459	2.4
156.09325	38.5
159.08011	3.1
159.11699	12.2
160.08853	1.2
161.09583	1.2
161.13232	1.8
171.11671	58.7
172.12015	2.3
174.10329	5.2
189.12730	100.0
190.13081	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	189.1634
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03927	0.9
55.05503	8.5
57.07056	1.5
67.05494	8.3
69.07054	8.9
69.60043	6.9
76.35316	0.8
79.05488	6.3
81.06588	1.4
81.07045	22.5
83.04927	0.9
83.08617	4.9
91.04904	1.4
91.05465	21.0
93.07034	11.7
95.08593	39.1
105.07015	100.0
106.07302	1.3
107.08579	14.7
109.10139	9.4
111.54404	0.8
111.99000	0.8
117.07005	1.6
119.08562	51.7
121.10124	7.8
128.06096	0.9
131.08537	5.2
133.10107	55.9
135.11638	0.9
145.10107	4.7
146.06030	0.8
146.10849	1.4
147.06320	2.7
147.11664	33.7
149.02309	2.4
159.11705	1.4
160.12410	1.7
161.13245	28.6
162.13609	1.3
189.07504	1.6
189.09187	2.7
189.12743	4.1
189.16359	94.2
190.08545	1.2
190.16718	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1634
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.86707	0.9
55.05487	4.3
56.82805	0.9
67.05489	6.6
69.07052	7.2
71.80865	1.1
79.05460	4.8
79.84171	0.9
81.07044	17.6
83.08599	2.0
90.01794	1.1
90.26714	1.1
91.05462	10.1
93.07031	14.4
95.08586	43.7
105.07011	28.8
107.08575	17.3
109.10133	7.3
117.06990	2.0
119.08562	38.9
121.10116	4.5
131.08545	4.7
133.10106	39.8
142.50629	1.0
145.10098	5.3
146.05975	1.5
147.06354	2.0
147.07990	1.1
147.11653	28.0
148.19464	1.0
149.02327	5.4
159.11661	1.6
160.12488	1.1
161.13219	9.5
162.05496	1.9
171.11679	2.1
189.09245	2.4
189.12613	5.2
189.16350	100.0
190.04953	1.9
190.08670	2.2
190.16699	2.8
206.38356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61353	1.1
55.05497	1.1
60.42727	0.9
69.03417	3.8
70.34435	2.9
70.34830	1.6
72.60838	0.9
72.61253	0.9
76.02894	0.9
91.05469	4.1
105.07025	7.3
107.08562	1.3
117.07002	3.9
119.08580	10.5
128.06207	2.6
129.06976	3.2
130.07761	3.9
131.08553	3.2
133.06477	1.1
133.10059	1.6
141.06984	5.0
142.07808	1.5
143.08539	4.6
144.09343	2.4
145.10109	18.8
146.10851	1.1
147.08017	3.8
147.11690	12.5
155.08553	2.7
156.09328	42.0
159.08037	2.7
159.11681	12.4
161.13243	1.6
171.11684	58.3
172.12042	1.6
174.10390	6.0
184.17497	1.0
189.12730	100.0
190.12997	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	189.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32768	0.4
51.22026	0.4
53.03934	0.5
55.01860	4.5
55.05506	2.7
56.96556	1.3
57.03430	12.6
57.07036	0.5
58.99586	2.6
59.04980	1.0
60.04501	0.5
60.08158	0.7
67.05493	1.7
68.99781	1.8
69.03424	3.7
69.07059	100.0
70.06593	0.9
70.07387	1.3
71.01338	0.5
71.04992	2.8
71.70295	0.8
72.08139	3.3
73.02550	0.4
73.02910	2.4
73.06548	12.0
75.04465	2.3
76.02229	0.6
76.03993	0.7
79.05490	1.9
81.03383	0.5
81.07040	1.0
83.01316	0.7
83.04977	2.4
83.08624	0.5
84.04511	1.0
84.08141	2.6
85.02884	3.9
85.04845	0.8
85.06532	0.6
86.00641	21.0
86.09696	6.3
87.04453	1.7
91.05483	1.4
92.05796	0.8
93.07068	0.5
95.05006	0.7
97.02882	1.0
97.06520	25.9
97.10150	0.6
98.05996	0.5
98.06910	0.5
98.97573	0.6
101.02372	1.1
101.06010	0.5
103.05438	0.6
105.07048	2.4
107.04928	0.6
111.00810	1.9
111.04434	1.2
114.00110	0.4
114.09187	0.7
115.03924	1.3
115.05438	2.2
115.07554	57.1
116.01662	3.9
116.07110	1.0
116.07928	1.3
116.98602	0.8
117.01751	0.5
117.07050	0.9
118.06556	2.2
118.08630	0.5
118.44234	0.4
119.01870	0.7
119.04940	1.1
119.06866	5.8
119.08604	1.6
125.05983	1.1
127.00258	0.8
128.06204	0.7
129.01820	1.7
129.02724	0.4
129.05484	2.4
129.06938	0.9
130.08647	1.7
131.04918	0.6
131.07007	0.5
131.08577	0.5
132.01154	1.1
132.10208	1.9
133.06497	1.2
133.10138	0.7
134.99683	0.8
135.05643	0.5
139.00241	2.8
143.00003	0.5
143.02715	16.7
143.03745	0.8
143.04900	1.4
143.08742	0.7
143.11812	1.3
144.03137	0.6
144.07732	0.6
144.10223	0.6
145.08434	2.3
145.10107	1.3
145.38861	0.5
146.05995	3.2
146.99672	0.5
147.04504	1.0
147.06342	11.3
147.07527	0.6
147.08080	0.9
147.11688	1.0
156.09335	1.4
157.01352	1.6
159.02834	0.5
161.06001	2.0
161.09599	0.7
162.05489	4.5
162.09109	0.5
171.02214	1.0
171.04424	1.1
171.06410	1.6
171.10181	1.8
171.11725	1.4
172.07559	1.3
177.05814	0.5
182.80722	0.5
189.03342	6.3
189.05495	2.8
189.07407	4.3
189.09143	2.8
189.11160	1.2
189.12543	3.9
189.16292	1.5
190.04970	2.3
190.08673	1.5
190.12332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01860	1.3
55.05503	24.5
57.03428	8.1
59.04964	2.3
61.02915	7.8
67.05478	2.3
69.03420	14.1
69.07047	1.2
71.01335	2.7
71.04983	41.6
73.53837	1.1
75.04459	3.2
81.07027	2.0
83.04970	92.3
84.04478	3.1
85.02892	100.0
85.04819	4.0
86.03254	1.8
87.04455	5.0
88.67180	1.0
91.05457	1.5
93.07030	1.5
95.08567	2.8
98.20675	3.4
99.34420	1.2
101.06015	6.6
101.06547	1.1
105.07002	8.2
107.08564	2.3
111.04428	49.3
113.05984	3.5
115.03901	2.6
117.05474	3.3
119.08570	8.3
127.03870	3.3
129.05458	36.4
129.06926	1.5
131.08525	2.3
133.10120	5.7
141.06985	1.4
145.08386	1.3
145.10118	2.1
147.06326	3.1
147.08005	1.8
147.11667	7.2
149.02364	1.2
156.09309	2.8
166.19838	1.1
171.06506	27.3
171.11650	5.0
189.05684	1.6
189.07516	7.5
189.09135	2.6
189.12685	9.8
189.16330	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	189.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.0
56.49888	0.6
57.03421	5.1
61.02913	4.0
67.05485	2.3
69.03411	5.3
69.51904	6.9
71.01331	0.9
71.04995	4.3
73.60472	0.6
81.07055	1.3
83.04967	53.9
84.04486	3.0
85.02892	100.0
85.04830	2.6
86.03191	1.0
87.00838	0.8
87.04453	2.0
91.05454	1.1
93.07012	0.8
95.08600	1.1
99.04422	0.7
101.05993	3.5
105.07003	2.3
107.08556	1.2
111.04427	37.5
112.04771	1.0
118.06552	0.7
119.06870	0.9
119.08585	2.8
125.09615	1.0
127.03904	3.0
129.05452	10.9
131.08559	1.1
133.10107	3.2
143.08727	1.4
145.10135	0.9
147.06360	2.8
147.11728	2.5
156.09325	1.1
159.11728	1.0
161.09558	0.8
171.06503	23.3
171.07939	1.4
171.11679	1.5
189.07559	9.0
189.09303	2.7
189.12674	5.2
189.16362	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	188.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.2
55.01869	2.3
55.05508	0.6
56.05021	0.8
56.96558	2.2
57.03430	3.2
57.07077	0.3
59.04992	0.7
60.04512	0.4
60.08160	4.1
61.02920	1.6
67.05505	0.8
68.05022	0.7
68.99786	0.5
69.03430	1.5
69.79568	1.9
70.06592	2.1
70.98115	0.3
71.01342	1.5
71.04978	0.7
72.04485	0.2
72.08144	3.2
73.02905	2.9
74.06071	0.4
74.97617	0.2
77.00877	0.3
79.05484	0.6
80.05009	0.3
81.01858	0.3
81.03386	0.5
81.05798	0.8
82.06572	1.3
83.01332	0.8
83.04969	1.6
84.04494	1.7
84.08134	18.0
85.02899	2.4
85.06533	0.2
86.00643	0.3
86.06061	0.3
86.09704	1.9
87.00806	0.3
87.04456	2.8
88.03970	0.3
88.99144	0.4
89.02396	0.5
91.02451	0.4
94.06561	1.0
95.04942	0.4
96.08120	4.3
97.02866	0.8
98.06042	0.5
98.97565	1.8
99.04413	0.2
100.02517	0.3
100.07611	0.8
101.00858	0.6
101.02368	4.4
102.00969	0.4
102.02222	0.4
103.00652	0.2
103.02412	0.4
103.03925	0.5
105.02886	0.3
110.01261	0.4
110.02184	0.2
110.03860	0.3
110.06061	0.4
111.00801	0.5
111.02924	0.4
112.07573	0.4
113.02365	0.8
114.09156	100.0
115.02416	0.7
115.03187	0.5
115.03917	4.5
115.09494	1.6
116.07078	0.8
116.98595	1.7
117.01878	0.2
117.02895	0.4
118.06530	1.5
118.08646	0.6
119.01904	2.5
120.02030	0.9
120.03408	0.4
121.01649	0.8
124.07592	0.3
124.11216	1.0
125.02630	0.5
125.11581	0.3
126.09173	0.7
127.00278	0.5
127.03905	0.6
128.02295	0.5
128.07080	1.8
128.98610	0.6
129.01859	1.5
129.10199	0.5
130.08629	7.9
131.01878	1.0
132.10201	0.9
133.03462	1.1
134.99593	1.2
137.02864	0.4
138.03207	0.2
139.00243	0.6
139.02563	0.3
142.08618	5.5
142.12267	4.4
143.01810	0.7
143.03426	0.5
143.11755	0.6
144.08118	0.5
144.13795	1.3
144.99805	0.5
145.03403	0.6
146.05989	2.7
146.08125	0.6
146.99631	0.6
147.05017	0.3
148.02809	0.3
149.02887	0.5
151.04576	0.4
152.06999	0.3
157.01323	4.3
157.03423	0.6
158.99525	0.3
159.03023	0.3
160.09673	0.3
161.01221	0.3
161.02919	0.8
165.00690	0.9
170.08101	0.7
170.11763	1.5
171.14943	0.3
173.02940	0.6
173.70494	0.3
175.02310	0.4
177.00587	0.4
177.02477	0.5
185.03012	0.4
188.07150	0.8
188.09177	3.1
188.12802	37.0
189.04016	0.4
189.13428	1.2
189.15932	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	188.0914
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
50.06342	0.3
55.05505	0.6
56.05015	1.3
57.03418	1.3
59.04985	2.1
60.04509	1.4
61.02916	8.6
67.05490	0.4
68.87983	0.3
69.03416	0.9
69.75521	1.2
69.75957	1.5
70.02936	2.2
71.01334	0.3
71.04998	0.8
72.04490	0.6
72.08154	0.4
73.02904	0.4
75.04452	0.9
78.21291	0.3
82.06567	2.1
83.04967	4.6
84.04488	100.0
85.02888	19.7
85.04828	1.0
86.06033	0.6
87.04448	6.0
91.05463	0.8
94.44296	0.3
96.04486	0.5
98.06039	0.6
100.07610	1.3
101.05982	0.3
105.07001	0.6
110.06011	2.7
111.04437	1.2
114.09140	0.8
115.05447	0.8
117.06998	0.6
118.06520	7.6
119.08577	0.5
126.05494	5.6
128.07056	5.2
129.05510	1.1
133.10109	0.5
142.06488	1.0
142.08582	1.8
143.07301	1.0
144.08040	2.9
145.10132	0.5
146.05986	12.3
146.08102	1.1
146.10446	0.5
147.06447	0.9
170.06027	1.4
170.08183	0.9
171.06519	0.3
171.11708	0.5
176.74693	0.3
188.07112	4.5
188.09184	15.2
188.10875	0.7
188.15154	1.2
189.09265	0.4
189.12755	0.8
189.16423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.32443	0.3
55.05505	0.4
57.03412	0.3
59.04990	0.2
60.04511	0.4
61.02919	1.3
69.03419	0.4
71.13104	0.7
75.04465	0.2
82.06570	0.6
83.04948	0.4
84.04491	13.8
85.02897	2.3
87.04434	1.2
91.05474	3.2
95.04429	0.3
96.08170	0.3
98.21383	0.3
100.07630	0.5
103.05440	0.5
104.87354	0.3
105.07035	0.7
110.06065	0.3
111.04472	0.3
114.09135	0.9
115.05427	4.7
117.05756	1.0
117.07001	4.2
118.06525	58.7
119.06887	1.0
119.08573	0.5
126.05506	0.6
128.07082	1.3
129.05487	0.2
131.08598	0.3
132.08069	0.5
142.06499	5.9
142.08618	1.0
143.07292	9.9
144.04442	0.8
144.08069	22.7
145.06447	0.9
145.08492	0.4
145.10118	0.6
146.05986	100.0
147.06335	2.4
147.08102	0.3
147.11713	0.3
155.05940	0.4
156.09354	1.2
159.11613	0.3
160.07576	1.1
170.05997	8.8
170.08134	0.4
171.11649	1.8
188.07045	29.1
188.09093	2.8
188.15033	0.3
189.07365	0.9
189.09174	0.7
189.12726	3.2
189.16428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.84364	0.5
56.45305	0.3
71.51551	0.5
71.51889	0.6
91.05471	2.7
102.44754	0.4
103.05458	0.6
103.51893	0.4
109.87341	0.4
115.05437	4.1
117.05738	0.8
117.07007	2.9
118.06521	56.1
119.06839	1.2
132.08052	0.5
142.06506	5.3
143.07286	10.2
144.04437	1.0
144.08061	23.4
145.06461	0.9
145.08380	0.6
146.05983	100.0
147.06328	2.8
160.07561	1.0
170.05989	8.1
188.07037	28.5
189.07396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	3-amino-2-naphthoic acid
Peak:m/z	Relative Intensity
57.58968	0.3
64.48006	0.3
70.96002	0.9
77.40601	0.3
91.05463	3.9
103.05460	0.4
115.05440	5.8
117.05801	1.4
117.07007	4.4
118.06526	69.7
119.06869	1.4
132.08063	0.7
142.06500	5.8
143.07292	10.7
144.04454	0.9
144.08066	25.3
145.06454	1.0
145.08398	0.5
146.05988	100.0
147.06349	1.5
155.06021	0.7
160.07521	1.4
170.05992	8.8
188.07048	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	188.0702
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.44955	0.5
56.05015	0.6
59.04950	0.5
59.55582	0.5
61.02906	1.3
61.04908	0.5
62.13890	0.5
63.48199	0.5
67.71401	0.5
69.61962	1.2
69.62370	3.6
70.02926	0.8
72.04485	0.6
74.04456	0.6
77.58779	0.5
82.06543	0.6
83.04964	1.7
84.04491	19.7
85.02886	3.7
87.04441	1.4
91.05469	4.0
96.08089	1.2
100.07584	1.0
114.09132	1.2
115.05454	4.7
116.06181	0.7
117.06998	4.2
118.06520	59.2
119.06898	0.8
126.05486	1.1
128.07042	1.8
128.50481	0.6
131.07109	0.7
132.08061	1.0
142.06516	5.6
142.08612	4.8
143.07289	10.0
143.08372	0.4
144.04416	1.1
144.08061	23.6
146.05983	100.0
147.06306	1.5
155.06081	0.8
160.07516	1.1
170.05984	8.1
170.08163	0.8
171.11647	0.6
188.07050	29.1
188.09117	5.7
189.12825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
55.05521	1.0
56.05019	0.5
57.03418	0.4
57.36499	0.4
60.04523	0.4
61.02904	0.5
67.05465	0.6
68.05006	0.4
69.03431	0.6
70.06585	0.8
71.78683	0.5
79.05491	0.7
80.68303	0.4
81.03412	0.6
81.05808	0.6
82.06555	0.8
83.04957	1.4
84.04496	10.9
84.08130	0.5
85.02885	2.4
86.06068	0.5
87.04448	1.2
91.05458	3.1
96.08112	3.8
100.07600	1.2
103.05406	0.5
105.07026	0.9
106.12258	0.4
107.08557	0.6
114.05507	0.7
114.09143	5.3
115.05440	4.3
117.05724	1.4
117.06997	3.8
118.06525	59.9
119.06852	0.8
119.08569	0.5
124.07595	0.8
126.05506	0.7
128.07018	3.2
132.08070	0.9
142.03188	1.0
142.05302	0.5
142.06503	5.7
142.08614	13.4
142.12241	0.7
143.07289	10.6
144.04419	1.1
144.08066	23.3
145.06404	0.9
145.08408	0.4
145.10115	0.5
146.05986	100.0
147.06364	2.1
160.07568	1.6
160.09647	0.6
170.06004	8.1
170.08173	1.3
170.11690	0.5
171.06310	0.5
188.07039	31.3
188.09111	10.6
188.10674	0.8
188.12779	1.5
188.15045	1.0
189.07474	0.8
189.09151	0.7
189.12695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34919	0.3
52.20770	0.4
62.42197	0.4
70.53815	0.7
70.54199	1.0
81.32518	0.4
82.64288	0.4
84.04488	1.1
87.52024	0.4
91.05466	2.2
96.89156	0.3
103.05477	0.6
110.87090	0.4
115.05444	5.0
115.87991	0.4
117.05761	1.1
117.07006	3.3
118.06524	57.6
119.06850	0.9
142.06493	5.0
142.08653	0.5
143.07278	9.8
144.04422	0.8
144.08069	22.7
145.06502	0.9
145.08348	0.6
146.05986	100.0
147.06323	1.8
160.07527	1.2
170.05988	8.6
171.06335	0.4
188.07040	29.8
189.07358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93240	0.3
71.24400	0.3
71.24725	0.5
77.41958	0.3
91.05469	2.7
103.05449	0.5
115.05453	4.1
115.50484	0.2
116.06213	0.4
117.05745	0.9
117.07001	4.1
118.06526	57.3
119.06869	1.3
128.04982	0.4
131.25134	0.3
132.08061	0.5
138.87888	0.3
142.06520	5.4
143.07292	9.6
144.04410	0.7
144.08067	22.7
145.06479	1.0
145.08412	0.8
146.05988	100.0
147.06331	2.4
155.06006	0.6
159.80402	0.3
160.07515	1.0
170.06000	8.2
171.06311	0.3
188.07048	27.6
189.07378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1326
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.10401	0.7
53.00302	1.0
53.03951	0.9
55.01864	1.1
55.05503	5.2
56.05022	1.1
57.03428	1.0
57.07061	2.5
58.06577	1.1
58.50178	0.7
59.04985	1.9
60.04508	0.7
65.03929	1.3
66.04695	0.8
67.05492	7.1
69.03413	3.1
69.07056	20.6
70.06588	11.7
71.01376	1.1
71.04601	1.5
71.04980	28.1
71.06908	6.5
71.37539	2.2
72.08144	1.9
72.47641	0.8
72.95416	0.7
73.06543	1.4
79.05483	19.0
81.03400	2.8
81.07043	100.0
82.07375	2.0
83.04961	6.3
83.08600	2.9
84.04476	3.0
84.08128	18.5
85.02901	2.9
85.06535	2.8
85.08469	1.0
86.01256	0.8
86.09690	15.6
87.04433	0.9
87.10034	0.9
88.02195	4.6
89.06009	1.4
89.14087	0.7
89.71018	0.8
91.05453	2.3
93.07027	5.1
95.04952	1.9
95.08591	4.0
97.06510	6.3
97.10159	1.5
99.04414	1.6
99.08074	5.6
101.06027	1.1
102.30236	0.8
105.06998	2.3
107.07897	1.1
107.08582	13.7
109.06484	5.3
109.10143	21.7
111.08040	3.4
111.11696	10.1
114.09135	2.2
115.05415	0.8
117.07047	1.7
118.06519	14.4
121.10126	3.3
123.08090	1.4
123.11684	20.5
125.09631	1.3
127.03887	2.5
127.07563	2.2
127.11172	1.2
128.06204	1.2
128.07043	1.0
129.06996	1.4
129.10210	9.2
130.06606	0.9
130.08646	1.0
131.04918	0.8
131.08533	2.2
133.10124	4.7
139.11154	10.0
141.05505	1.0
142.06511	2.5
142.08603	4.1
143.07278	3.0
144.05693	3.0
144.08063	7.0
145.10110	1.5
146.05980	27.4
151.11157	15.9
155.05966	1.3
157.12175	5.0
159.08035	2.5
159.11443	1.9
161.65518	1.0
169.12199	7.2
169.13464	0.8
169.14136	0.7
170.05994	2.2
172.05194	2.1
172.19484	0.7
173.00703	1.0
187.03938	1.9
187.05984	1.6
187.07491	9.1
187.11110	1.5
187.12988	1.7
187.14719	1.0
188.07047	9.6
188.09152	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	186.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01821	0.2
55.05526	0.3
56.54242	0.1
57.07062	0.2
65.16507	0.2
67.05476	0.3
69.03408	0.3
69.07059	0.6
70.06580	100.0
71.04985	0.4
71.06911	0.9
71.45375	0.4
72.08139	0.3
79.05481	0.5
81.03402	0.2
81.07030	1.5
84.04488	0.4
84.08115	0.3
85.02894	1.8
86.09703	0.4
89.03912	0.3
95.08610	0.2
96.25282	0.2
97.06544	0.2
107.08587	0.3
108.27913	0.2
109.06544	0.2
109.10168	0.2
111.11737	0.2
112.07573	0.3
114.05507	2.1
117.03350	0.4
121.00794	0.4
123.11705	0.3
126.05495	1.8
131.04938	0.2
139.01811	0.4
140.07033	0.4
140.14331	0.7
145.02811	1.0
158.06068	0.3
159.08122	0.3
163.01849	0.8
168.13817	4.8
181.02850	1.5
186.05595	0.4
186.07642	1.3
186.11287	0.7
186.14844	2.5
187.07484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1326
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.00298	1.1
53.03938	2.6
55.05506	5.9
55.92547	0.9
57.03407	1.6
57.07050	2.0
59.04978	3.2
61.02905	0.9
67.05489	5.8
69.03411	1.8
69.07057	19.0
69.43665	10.0
70.06580	21.3
71.04979	24.3
71.06284	1.4
71.06909	14.5
73.06521	1.8
79.05482	16.1
81.03401	1.9
81.07042	100.0
82.07381	1.5
83.04960	5.2
83.08599	2.0
84.04488	2.4
84.08105	3.9
84.15528	0.8
85.02908	1.6
85.06512	3.9
86.09691	2.7
88.02186	3.7
90.14324	1.0
91.05466	2.5
93.07031	4.6
93.07512	0.8
95.04950	2.6
95.08596	4.0
97.06509	6.6
97.10155	1.7
98.21444	2.2
99.04435	1.3
99.08075	3.9
105.07024	2.6
107.08568	13.7
109.02882	0.9
109.06485	3.3
109.10140	21.4
110.10468	0.9
111.08073	3.4
111.11687	7.2
114.09102	1.0
115.05427	1.9
117.06976	1.6
118.06516	10.6
121.10136	2.5
123.08001	0.9
123.11689	20.8
127.07519	2.0
128.07045	2.0
129.10196	1.1
131.00807	0.8
131.08553	1.5
132.13075	0.9
133.10100	3.8
139.11147	8.3
142.06528	1.3
142.08597	2.4
143.07257	2.2
144.05685	4.5
144.08076	4.7
146.05974	22.9
150.58040	0.9
151.11148	14.0
155.03464	0.9
157.12198	5.5
159.08011	2.4
169.12195	7.4
169.14139	2.7
170.06017	2.8
172.05185	3.9
187.05978	1.4
187.07507	19.8
187.11113	1.2
187.13156	3.1
187.15051	1.5
188.07069	6.0
188.09175	1.9
201.32828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
53.04150	1.0
54.13393	1.1
55.01841	1.5
55.05505	2.4
62.39800	0.9
65.03928	4.7
67.05479	4.4
68.05020	1.9
69.07029	1.4
69.77227	3.6
69.77657	4.8
70.06584	6.1
70.44365	1.1
71.04954	2.1
72.08151	1.4
77.03899	1.3
78.04697	9.9
79.05491	3.2
81.03403	23.2
81.07038	3.9
83.07359	1.8
84.08129	1.4
91.05466	9.7
92.06245	2.3
93.03397	16.6
93.07038	2.2
95.04957	35.6
96.05274	2.4
96.08112	10.0
105.03362	6.6
106.04180	13.8
107.04926	3.7
109.02862	37.1
109.06512	6.2
109.08880	3.8
110.03654	1.1
110.09716	1.7
111.04430	10.0
113.05978	2.9
119.04930	4.2
120.05706	8.7
121.10123	3.8
123.04411	72.1
124.05273	2.5
125.05970	14.3
126.03103	8.5
131.04955	1.4
133.02827	14.0
134.03635	8.3
135.04414	2.7
136.05208	1.7
137.02298	5.0
137.05943	12.3
138.05426	1.5
138.09094	1.7
138.12753	18.0
139.07492	2.5
139.11157	1.8
140.04689	2.2
141.05443	40.5
147.04398	6.4
148.05138	3.3
149.05794	1.3
151.03854	13.4
151.05815	1.6
152.04674	15.3
153.05463	20.0
155.07008	39.0
156.07304	1.2
161.02895	1.6
164.35718	1.2
165.05431	2.3
166.04953	1.3
166.06244	13.6
166.08461	1.1
167.07031	25.3
169.04935	18.2
183.06511	11.0
184.07292	100.0
184.09451	7.9
184.13298	2.3
185.07602	2.5
192.92447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19061	0.2
67.77471	0.2
70.98840	0.4
70.99168	0.3
78.93229	0.2
82.99803	1.1
100.02473	0.3
101.00864	17.0
102.00961	0.4
102.96877	0.5
103.95789	0.2
118.03497	0.3
118.46429	0.2
119.01901	100.0
120.01974	3.2
120.97909	0.3
121.02347	0.6
124.02422	1.4
127.89079	0.2
133.03444	0.3
137.02936	33.1
138.02969	1.4
139.03488	0.3
142.03477	21.7
143.01895	0.6
143.03632	1.4
160.04533	6.8
161.01596	0.5
161.02939	8.6
161.04436	0.6
162.03136	0.5
164.21664	0.2
165.05057	0.7
179.03986	13.9
180.04134	0.7
184.04562	0.5
185.64969	0.3
202.05629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20440	0.1
56.96542	0.1
58.41878	0.1
58.99884	0.1
60.00624	0.1
60.63554	0.1
60.97218	0.1
64.97122	0.1
70.98982	0.4
78.42460	0.1
81.20595	0.1
82.99798	1.0
90.59811	0.1
94.63184	0.1
100.02467	0.2
101.00863	15.8
101.95021	2.2
102.00951	0.5
118.03510	0.3
119.01904	100.0
119.96056	1.0
120.01979	3.5
120.97853	0.2
121.02317	0.4
124.02423	1.5
133.03430	0.2
137.02937	36.5
137.97098	0.5
138.02995	1.4
138.98917	0.1
139.03416	0.2
142.03482	24.8
143.01857	0.6
143.03609	1.9
155.98180	0.3
160.04539	7.6
161.02940	11.1
161.04582	0.9
162.03046	0.4
162.04271	0.2
165.05055	1.0
179.03987	16.8
180.04211	0.6
184.04536	0.8
184.09613	0.2
190.71617	0.1
202.05594	0.3
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	Jasminanhydride
Peak:m/z	Relative Intensity
53.03935	8.3
55.01863	3.5
55.05495	2.2
57.03436	2.9
59.04984	0.8
61.02919	0.8
65.03665	0.7
65.03938	6.6
67.05495	16.0
69.03424	8.7
69.07040	2.1
70.73353	0.5
71.04971	3.9
71.79225	0.6
73.02925	0.6
73.29334	0.6
79.05495	4.4
80.02624	0.7
81.03409	16.5
81.07059	3.5
82.04161	2.5
83.04980	4.7
85.02893	3.2
85.06518	2.2
86.09682	0.6
87.04449	0.9
91.05466	2.5
93.07023	3.7
94.04179	0.7
95.01305	0.7
95.04956	55.3
95.08582	4.5
96.05749	1.1
97.02915	1.3
97.06520	25.4
98.98451	9.4
99.04448	2.2
99.08056	0.8
105.03381	7.6
105.04497	2.0
105.07001	2.0
107.04943	1.2
107.08557	1.5
108.02081	4.6
109.02847	1.8
109.06506	2.7
109.10149	3.2
110.03625	0.8
111.04425	5.2
112.05188	1.0
113.06050	0.7
119.08583	3.8
121.10142	1.6
121.56625	0.5
123.04413	31.5
123.08031	5.4
123.11662	1.1
124.05237	1.0
125.02337	2.7
125.05988	5.1
125.09642	1.1
127.01553	2.2
127.07536	100.0
128.07890	1.9
129.05487	1.4
133.02821	1.2
137.05933	3.5
137.07890	0.7
137.09576	3.8
139.07526	0.9
140.04668	12.9
141.05388	1.2
147.08020	1.1
147.11652	0.9
151.03815	3.5
154.02612	1.3
155.04764	1.3
155.07011	11.4
155.08276	0.6
155.10594	0.6
161.62366	0.5
165.05576	0.9
165.09109	3.2
165.12761	1.4
166.08627	0.9
168.04204	1.6
168.09285	0.8
183.06506	5.7
183.08006	2.4
183.09166	1.2
183.10069	2.2
183.11707	1.4
183.13892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.94471	0.6
55.01871	6.2
55.05504	1.1
56.96562	9.0
57.03160	0.8
57.03434	12.3
58.99859	1.4
61.02920	11.9
65.03935	0.9
65.73174	0.7
67.05489	0.8
69.03087	1.2
69.03424	14.9
70.10529	3.0
70.99868	0.7
71.01334	1.0
71.04987	1.7
73.02910	27.2
77.00912	1.2
81.01898	1.1
81.03410	4.8
82.99818	1.6
83.04945	1.2
84.96018	0.9
85.02901	20.8
86.99342	1.2
87.01910	1.3
87.04449	1.3
88.02686	1.5
89.00829	1.1
91.03957	0.8
92.01315	0.6
93.01862	1.0
94.02670	1.5
95.01926	1.0
95.04964	3.0
95.08577	0.7
96.02400	2.5
96.08116	1.5
96.88441	0.6
96.92817	0.7
97.02879	14.9
98.01300	0.7
98.21416	1.1
98.97576	5.7
98.98424	1.6
99.01964	0.7
99.04430	3.8
100.02558	2.6
101.00863	18.7
101.02469	2.1
102.00973	1.4
102.02385	6.2
102.52499	1.2
103.02420	1.3
103.03237	0.8
105.00408	1.2
105.03404	1.4
108.02418	2.1
109.02833	3.4
110.01295	1.3
111.02902	5.2
111.04439	1.2
111.06841	0.7
112.02808	1.1
113.00872	2.5
113.02357	1.1
113.03474	0.9
114.02404	2.0
115.02395	2.2
115.03184	2.1
115.03934	0.9
116.02124	0.7
116.98644	3.2
117.02915	1.9
117.03970	0.6
118.03569	2.9
119.01908	100.0
119.51736	0.7
120.02056	2.3
120.03356	1.4
121.01630	1.6
121.03114	0.8
123.02907	4.0
123.04405	2.6
123.53075	0.7
124.02484	1.3
126.03416	0.7
127.01582	0.9
127.02421	0.9
127.03923	5.2
128.02328	6.2
128.98584	2.3
129.02898	3.7
129.03888	1.4
129.53038	0.9
130.03712	1.0
131.01891	14.1
132.02022	2.3
132.03429	2.8
133.01575	0.9
133.03452	4.0
134.99658	1.6
135.02957	2.5
136.04544	0.9
137.02940	34.7
137.07884	2.3
137.09570	0.9
138.03447	4.4
138.53455	0.8
139.02417	0.8
139.04213	1.2
141.01299	0.9
141.04005	1.0
142.03496	30.8
142.96512	1.0
143.01898	17.3
143.03601	1.4
144.02002	1.1
144.03436	2.0
144.53548	1.0
144.99825	0.7
145.03438	8.2
145.04657	0.9
145.04889	0.7
145.99881	1.3
146.03603	2.0
146.99660	2.5
147.01355	1.5
147.03990	1.2
147.05005	0.9
149.02914	3.9
150.03168	1.0
151.04440	1.4
153.03976	2.4
154.03444	0.9
155.01868	12.6
157.03470	6.7
158.03743	0.7
158.99625	1.0
159.03120	0.8
160.04536	17.9
160.97589	1.6
161.02946	33.7
162.03093	2.5
163.02621	1.2
163.04536	2.1
165.00645	0.8
165.03867	0.8
165.05197	1.2
167.01917	3.9
169.03462	1.4
171.05048	0.8
173.02933	22.9
174.03061	3.3
174.04442	0.7
175.02640	0.7
175.04530	2.4
177.00705	1.6
177.02446	1.5
178.02637	1.5
178.05618	1.9
179.02380	1.0
179.04008	10.7
181.03563	0.8
183.06474	1.1
183.08249	3.2
184.04541	4.6
184.09753	1.5
185.02942	17.0
186.03186	2.3
187.04492	1.8
191.04028	2.5
197.02985	2.5
197.04663	0.7
197.11308	0.8
199.04457	1.6
201.00761	1.3
201.02420	0.9
203.04018	11.0
204.04111	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	182.1537
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
51.55762	0.5
55.01860	0.9
55.05498	5.8
57.03416	0.9
57.07054	1.9
58.02952	22.3
65.03957	0.5
67.05495	14.2
69.03397	1.5
69.07058	49.0
70.06562	1.9
70.07385	0.7
70.21586	2.6
71.04955	0.7
72.08132	0.7
74.06062	1.0
79.05475	3.5
81.07043	13.9
82.06545	0.4
83.04957	0.9
83.08605	5.6
84.08135	6.3
85.02886	0.5
86.06051	1.1
89.45631	0.4
91.05477	3.9
93.07027	7.8
94.33325	0.4
95.04947	1.9
95.08594	4.7
97.06535	2.5
98.06035	1.8
98.09675	1.5
98.97536	0.7
98.98441	1.6
100.07597	5.2
100.64978	0.4
105.03386	0.8
105.07016	9.0
107.08575	13.6
109.06503	1.1
109.10140	37.0
110.10446	0.9
112.07606	2.2
114.08350	0.6
114.09150	12.2
117.91447	0.5
119.08582	1.1
121.10106	1.3
123.04395	0.8
123.08033	0.5
123.11687	6.3
124.11194	0.7
126.09134	12.6
126.12754	1.3
127.01546	0.7
128.10704	0.7
133.10109	25.3
134.10416	1.0
134.66783	0.4
135.11679	14.1
136.07564	0.9
137.13184	0.6
138.12756	15.2
138.13817	0.8
140.10681	1.1
140.14319	1.0
147.11702	3.4
151.11156	10.6
153.12706	10.7
154.08650	3.3
154.15875	1.3
164.14337	2.7
165.12700	2.7
182.08086	1.4
182.15381	100.0
183.11678	0.5
183.15707	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	182.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48251	4.0
70.48619	1.9
73.02899	2.2
114.09163	5.0
119.01855	1.9
136.07341	4.8
149.06506	0.9
159.93956	1.1
164.06807	15.7
171.66469	1.1
173.02995	1.4
182.06029	3.3
182.07867	100.0
183.08199	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	182.0809
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
52.98697	0.8
53.03928	5.1
55.01845	2.2
55.05500	4.6
56.05005	0.7
57.03419	1.4
58.02946	1.3
61.02912	0.7
65.03921	3.9
66.51488	0.7
67.05493	16.3
68.05006	1.2
69.03405	3.1
69.07059	3.5
70.02939	1.0
70.06570	1.8
71.04972	1.5
71.78720	1.1
71.96516	0.8
79.05479	21.7
80.04982	2.2
81.03391	2.8
81.07043	27.3
82.07362	0.9
83.04947	2.6
83.07341	1.7
83.08589	2.1
84.04485	1.0
84.08125	3.4
85.02904	1.0
85.06525	0.8
86.02415	4.4
86.06037	2.4
87.04472	0.7
87.84386	0.6
90.04229	1.1
91.05464	7.1
92.04994	0.8
92.05794	1.0
93.05773	4.1
93.07011	3.1
94.06539	2.4
94.07335	1.2
95.04955	24.3
95.08572	3.2
96.04475	1.7
96.08111	2.9
97.02866	1.1
97.05222	1.4
97.06509	10.3
98.06019	2.5
98.09653	3.1
98.98438	3.8
99.04439	1.4
105.03359	3.5
105.04476	1.0
106.06522	1.7
107.07314	2.4
107.08554	1.3
108.04447	1.4
108.08102	43.4
109.02855	0.9
109.06497	7.5
109.08398	1.1
109.10137	1.3
110.06043	3.6
111.04416	3.0
116.98576	2.1
118.06501	1.7
119.04898	1.5
119.08563	2.2
121.05225	2.2
121.06474	1.1
121.10117	1.2
122.05990	2.4
122.06799	1.1
122.10451	2.6
123.04413	16.7
123.06895	1.0
123.07995	1.2
124.05134	1.0
124.07559	2.3
125.05972	23.4
126.05495	25.4
126.06302	1.2
126.08231	1.2
126.09132	16.9
127.01534	0.9
127.05891	1.1
127.07526	9.0
134.05994	0.8
134.99623	1.1
135.04454	0.8
136.04721	2.6
136.07555	74.8
136.12123	0.8
137.05962	2.7
137.07909	2.8
137.09549	3.2
138.05444	2.9
138.09056	1.0
140.04692	5.2
140.10658	1.8
141.05418	1.9
146.03169	1.8
147.04355	1.2
147.08015	0.7
152.06961	1.2
153.05418	2.0
153.07849	1.7
154.08598	33.3
155.06961	3.7
155.08791	0.9
164.04214	8.7
164.07039	70.1
165.05489	1.4
165.07372	2.6
165.08946	0.9
166.98535	0.9
182.00885	2.1
182.08090	100.0
182.11421	3.9
182.15289	1.7
182.19003	1.8
183.06494	2.8
183.08372	3.8
183.10039	1.4
183.13644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03926	1.6
55.01860	1.0
55.05485	3.3
56.96554	1.8
57.06795	1.9
57.07065	33.4
59.04974	2.5
67.05476	2.7
69.03391	1.9
69.07042	4.2
71.49919	1.5
79.05479	10.2
81.03407	9.7
81.07037	6.1
83.04967	63.9
85.06529	1.4
91.05478	3.8
93.07043	7.4
95.04953	17.4
97.06518	33.0
98.97566	9.3
105.07018	5.3
107.04916	2.7
107.08588	8.7
116.90320	0.9
116.97251	1.5
116.98598	11.2
117.06992	2.9
119.08546	3.3
119.90793	1.0
121.06470	3.8
121.10124	12.7
123.08039	2.0
125.05974	99.6
126.09116	1.2
130.07805	1.8
134.99634	12.0
135.04375	2.1
135.08054	1.9
135.11674	6.4
136.07475	1.0
140.00122	1.9
143.08516	1.1
145.10097	8.8
153.00644	1.9
154.08582	5.3
158.01248	3.1
163.03915	3.1
163.11159	100.0
164.11531	3.5
181.08522	2.7
181.12199	45.4
182.08090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03934	3.2
55.01852	2.4
55.05505	7.2
56.96546	1.3
57.03427	3.1
57.07070	17.6
57.68860	0.7
59.04984	2.0
63.02377	0.7
65.03928	2.8
67.05494	3.8
69.03414	2.6
69.07065	3.8
71.04963	1.9
71.79298	1.4
75.04469	1.1
77.03893	0.7
78.04684	1.4
78.42663	0.6
79.05070	1.1
79.05486	12.1
81.03414	6.0
81.07049	10.1
82.04214	0.6
83.04970	38.9
83.07367	0.6
83.08603	8.6
85.02887	2.1
85.06535	0.9
89.03914	5.7
90.04706	0.6
91.05476	13.1
93.03361	2.1
93.07031	14.3
95.04953	19.0
95.08593	3.5
97.02872	1.7
97.06520	22.0
98.97583	6.5
99.04391	1.3
103.05456	4.3
105.04468	0.6
105.07043	4.6
106.04138	2.3
107.04961	7.4
107.08582	11.1
107.46234	0.7
108.05721	1.5
109.06488	4.6
109.10140	1.3
110.03666	0.6
111.04411	2.1
111.08035	1.3
116.98603	7.2
117.03362	4.7
117.06992	1.8
119.04931	1.7
119.08567	3.4
120.05698	1.1
121.02822	1.4
121.06495	15.5
121.10133	22.9
122.06008	0.8
122.10448	0.6
123.04427	3.8
123.08054	4.1
124.07596	0.8
125.05978	62.0
126.06309	1.5
126.09127	0.9
130.07777	1.3
133.10083	0.9
134.03619	1.2
134.99646	8.1
135.03452	1.3
135.04402	14.9
135.08063	3.3
135.11691	9.2
136.05161	1.5
136.07565	2.3
137.05965	12.7
137.09573	1.2
138.06718	4.6
139.07535	1.4
139.11220	1.3
140.00180	0.6
140.04559	0.6
145.02831	6.5
145.10101	8.8
146.10370	0.7
148.05170	31.4
149.02303	1.5
149.05962	7.6
151.03889	4.0
151.07538	1.7
151.11130	0.9
153.00676	1.3
153.05409	1.6
153.09053	1.5
154.08589	3.8
158.01266	1.3
163.03888	37.6
163.07520	2.1
163.11165	64.8
164.04263	0.9
164.07074	2.8
164.11537	1.4
165.05441	1.8
166.06227	1.6
171.06454	0.8
176.48631	0.6
181.05084	8.8
181.08580	100.0
181.12167	31.0
181.15707	1.3
182.08939	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
54.06718	1.0
54.45178	1.2
55.01847	1.4
55.05484	2.0
56.96558	1.3
57.07066	30.3
59.04981	2.8
67.05466	2.2
69.03405	2.1
69.07037	3.1
69.13807	1.0
70.91150	3.2
70.91496	1.0
79.05489	10.9
81.03413	7.3
81.07047	5.3
82.13937	1.1
83.04967	59.1
91.05442	3.5
93.07035	7.8
95.04955	18.0
97.06517	33.4
98.97571	12.8
105.06995	4.8
107.04909	3.3
107.08583	9.8
116.97224	2.3
116.98602	18.1
119.08532	4.0
121.06462	3.5
121.10136	12.9
123.08033	1.5
125.05974	100.0
126.06280	2.6
130.07751	2.2
134.99646	18.1
135.04442	1.7
135.11665	6.1
136.07556	1.2
139.98793	1.8
140.00148	1.1
145.02867	1.4
145.10091	10.2
153.00661	3.4
154.08624	6.6
156.32883	1.0
158.01198	4.3
163.03899	5.0
163.11157	97.1
164.11482	2.3
177.55849	1.2
181.02834	1.4
181.04924	1.4
181.08598	3.5
181.12198	43.4
182.08061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
55.05487	3.5
56.96547	1.9
57.03418	1.2
57.07068	30.1
59.04976	3.9
67.05489	1.9
69.03406	1.4
69.07041	3.3
70.09290	5.4
76.58049	1.0
79.05477	12.4
81.03388	7.3
81.07034	5.8
83.04971	56.3
83.07335	1.1
86.06017	0.9
88.36411	0.9
91.05468	2.9
93.07032	8.3
95.04952	19.7
95.08564	1.3
97.06518	31.8
98.97570	14.7
105.07014	4.1
107.04927	3.4
107.08581	9.4
109.06497	1.1
116.97231	2.1
116.98610	16.0
117.06996	2.0
119.08564	2.2
121.06464	3.0
121.10136	14.4
122.05936	0.9
123.08039	1.7
125.05975	100.0
126.06306	1.1
126.09152	1.6
130.07741	1.3
134.99637	20.4
135.04416	2.6
135.07950	1.1
135.11673	6.3
136.07520	2.0
137.05908	1.1
140.00127	3.4
145.10100	8.4
153.00739	4.5
154.08623	7.7
158.01273	4.9
158.46309	1.0
163.03896	3.5
163.11160	98.8
164.07033	1.7
164.11540	2.9
181.02702	1.3
181.04912	2.2
181.08543	4.1
181.12209	40.6
182.08028	3.8
182.12567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03930	0.7
55.01844	0.6
55.05487	1.3
56.96542	1.0
57.03402	0.5
57.07046	1.5
59.04981	1.8
67.05490	2.1
69.03410	1.3
69.06715	0.3
69.07056	2.6
71.04996	0.4
72.55432	0.4
79.05478	4.3
81.07037	5.5
83.04968	2.5
83.08584	0.8
91.05461	3.1
93.07033	12.8
95.04964	2.7
95.08589	10.8
97.06521	2.4
98.20547	0.9
98.97565	7.3
105.07018	2.3
107.04958	1.8
107.08575	22.0
108.08918	0.4
109.06535	0.4
109.10131	1.6
111.04426	0.8
111.08063	0.7
116.98598	8.1
117.03369	0.5
117.07006	0.8
119.08572	3.1
121.06493	4.1
121.10125	14.3
123.08036	3.0
125.05981	4.3
130.07733	0.7
134.99643	7.6
135.04408	2.1
135.08072	0.7
135.11673	33.0
136.07570	0.6
136.12003	1.3
137.05930	1.0
137.09619	0.8
137.13269	1.1
139.07526	5.8
140.00127	0.8
145.02808	0.9
145.10095	6.9
148.05173	1.6
149.05948	0.6
153.00659	1.1
153.12665	1.9
154.08578	1.7
158.01201	1.5
163.03885	4.7
163.11160	24.5
164.07054	0.6
164.11523	0.9
168.01636	0.4
181.04955	1.3
181.08809	5.1
181.12202	100.0
182.08092	0.9
182.12543	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.13322	1.2
53.03934	2.5
55.01856	1.7
55.05502	24.7
55.25967	1.2
56.96553	12.8
57.03417	1.8
57.07058	14.3
62.26791	1.3
67.05493	6.9
69.03401	3.1
69.07042	4.5
71.79710	1.8
71.95245	1.6
79.03433	1.7
79.05486	9.9
81.03391	2.9
81.07043	10.5
83.04962	20.8
83.08584	1.6
83.79211	1.4
85.06509	4.7
91.05455	9.6
93.06488	2.3
93.07032	24.8
95.04960	7.5
95.08598	14.8
97.06522	16.1
98.97569	79.5
99.97916	1.5
100.71205	1.3
105.07008	8.8
107.04922	4.6
107.07904	2.3
107.08582	33.1
109.06478	7.7
109.10113	3.7
111.04426	90.2
111.08039	6.8
113.05970	5.2
116.97228	3.3
116.98605	99.5
117.06987	3.1
119.04875	1.8
119.08563	4.4
121.06506	10.0
121.10125	24.3
122.05977	1.5
122.07276	2.1
123.08061	7.4
125.05969	55.0
125.09616	1.5
127.07487	2.2
130.07748	3.6
134.99634	100.0
135.04395	5.5
135.08040	20.3
135.10730	2.4
135.11673	25.9
136.07507	2.0
137.05904	1.9
137.09616	1.6
138.06718	3.2
139.07491	3.3
139.99161	1.6
140.00182	12.6
145.02808	3.8
145.10092	21.0
148.05191	1.8
153.00684	16.8
153.12723	5.0
154.08586	3.9
158.01242	20.0
163.03906	13.6
163.11157	34.8
164.07013	1.7
176.02283	3.3
181.04880	3.4
181.06259	1.7
181.08728	9.5
181.10201	3.3
181.12196	48.8
181.13815	3.0
181.15692	3.0
204.09914	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	181.0857
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02365	0.2
53.03934	0.5
55.01863	0.5
55.05494	0.4
56.96550	0.5
57.03421	0.5
57.07069	0.6
65.03924	1.3
66.04683	0.3
67.05502	0.9
68.99767	0.3
69.03416	0.7
69.07036	0.4
69.77475	1.3
77.03897	0.2
78.04682	1.4
79.05481	2.8
80.06275	0.2
81.03410	1.0
81.07044	1.2
83.04964	1.4
85.02856	0.2
86.06033	0.2
89.03900	2.0
90.04695	1.0
91.05465	4.9
92.02593	0.4
92.06250	0.4
93.03389	0.6
93.07030	2.2
95.04955	3.3
95.08602	0.5
97.02872	0.3
97.06483	1.0
98.21433	0.3
98.97545	1.4
101.82323	0.2
103.05434	0.7
105.03366	0.4
105.04513	0.2
105.06997	0.5
106.04136	1.0
107.04940	4.4
107.08568	1.2
108.05753	1.4
109.06500	2.4
111.04417	0.5
111.08171	0.2
116.98592	1.4
117.03364	1.7
117.17393	0.2
118.04160	0.7
119.04920	0.7
119.08536	0.6
120.02041	0.2
120.05676	0.9
121.02855	0.6
121.06490	2.8
121.10128	3.5
122.03618	0.6
123.04399	3.5
123.08057	0.9
125.05966	2.3
134.99629	1.4
135.04391	5.2
135.08026	0.6
135.11678	1.0
136.05211	1.9
136.07567	1.9
137.05957	11.8
138.03108	0.4
138.06749	4.4
138.63089	0.2
139.03838	0.3
139.07527	0.3
145.02821	2.4
145.10107	0.9
148.05165	32.4
149.02370	0.3
149.05951	1.7
151.03891	4.3
151.07526	0.3
153.00754	0.2
153.05415	0.3
153.09061	0.3
154.08577	0.5
158.01289	0.2
163.03883	11.8
163.07547	0.4
163.11153	3.7
164.04248	0.4
164.07056	1.4
165.05403	1.4
166.02423	0.2
166.06227	1.4
167.03377	0.4
171.06523	0.2
181.05319	2.1
181.08566	100.0
182.08992	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	181.0856
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02359	0.5
53.03930	1.3
55.01854	0.8
56.96552	2.1
57.03426	0.6
57.07064	0.4
58.03995	0.4
61.40474	0.4
63.02346	0.5
65.03916	2.2
67.05501	2.5
69.03404	1.1
69.67293	1.4
69.67725	2.2
71.04977	1.1
77.03898	0.5
79.05476	5.2
81.03388	0.7
81.07047	1.4
82.06551	0.5
83.04943	0.8
84.08083	0.7
85.02902	1.0
89.03902	10.7
90.04285	0.5
90.48471	0.4
91.05461	20.0
93.07027	7.2
94.04153	1.5
95.04953	6.4
95.08548	0.5
96.53101	0.4
97.02898	0.6
97.06492	1.1
98.20711	0.9
98.97559	15.3
100.40781	0.4
103.05462	5.6
105.04516	0.8
105.07009	1.0
107.04932	5.2
107.08598	2.1
109.06505	0.9
110.03606	0.5
111.04424	1.3
111.08061	0.4
114.79445	0.4
116.98600	19.7
117.03360	14.5
117.06971	0.5
119.04920	17.5
120.05733	0.6
121.06480	8.2
121.10114	5.2
122.03611	4.9
122.93266	0.4
123.04366	0.8
123.08023	1.4
124.05041	0.4
125.05980	2.1
131.04898	4.8
134.99635	16.6
135.04388	31.0
135.08014	1.5
135.11668	1.5
136.05287	2.9
136.07542	1.4
137.05951	66.4
138.06320	1.4
139.03874	1.5
139.07515	0.5
140.00168	1.2
145.01678	0.9
145.02826	19.0
145.10081	0.7
146.03146	0.8
147.04454	0.7
148.05112	1.3
149.02338	0.7
149.04942	0.5
149.05965	3.6
151.03801	1.0
151.07501	15.2
153.00699	2.4
153.05421	1.3
153.09111	0.7
154.08543	1.9
158.01227	1.7
159.06071	0.8
163.03873	100.0
163.07501	2.4
163.11099	1.9
164.04216	3.8
164.06999	0.9
164.08286	1.2
165.80823	0.4
166.06207	3.2
171.06407	0.6
176.02164	0.5
181.04965	7.7
181.08563	16.3
181.12134	1.4
182.04491	0.8
182.08031	1.1
186.05415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0856
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03935	0.4
54.21510	0.2
55.01855	0.3
63.58348	0.3
65.03926	0.4
66.04694	0.3
67.01842	0.3
67.05501	0.5
68.99764	0.3
70.17691	1.0
70.18093	0.5
77.03912	0.4
78.04706	1.2
79.05475	1.6
80.06258	0.4
81.03417	0.5
84.78537	0.2
89.03913	0.9
90.04687	1.1
91.04927	0.3
91.05477	4.3
92.06260	0.5
93.03397	0.5
93.07030	0.4
95.04957	3.0
105.03361	0.6
106.04156	1.0
107.04946	3.0
108.05717	1.1
109.06493	2.0
118.04126	0.5
120.05701	1.2
121.06480	1.2
121.10155	0.3
122.03648	0.8
123.03595	0.4
123.04413	3.9
135.04395	1.0
136.05167	2.0
137.05960	8.8
138.03172	0.4
138.06735	3.9
148.05170	33.9
149.05591	1.0
151.03888	3.9
155.57053	0.3
158.72855	0.3
163.03900	1.1
165.05486	1.0
166.06242	1.4
181.08574	100.0
182.08926	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	181.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
56.96556	0.5
57.07060	0.2
57.50568	0.2
63.02352	0.3
65.03931	0.7
67.05491	0.3
69.03462	0.2
71.47354	0.4
71.69933	0.2
74.21873	0.3
77.03920	0.2
79.05478	2.9
81.07047	0.7
83.04968	0.4
86.06043	0.4
89.03906	11.4
89.26722	0.2
90.04255	0.4
91.05451	2.3
93.03371	0.4
93.07040	1.2
95.04973	1.2
97.06534	0.5
98.97569	4.9
103.05435	0.4
104.05831	0.2
107.04944	4.9
107.08580	0.9
109.06499	0.3
111.04445	0.9
111.76159	0.3
116.98612	5.1
117.03361	15.4
118.03739	0.3
118.49133	0.2
119.04934	1.3
119.08608	0.4
120.08073	1.1
121.06506	1.4
121.08419	4.0
121.10140	1.8
122.06021	0.3
123.04406	0.3
123.08018	0.3
125.05952	0.8
127.62139	0.3
131.04884	0.3
134.99638	3.3
135.04395	32.2
135.07994	0.6
135.11642	0.5
136.04782	0.6
136.07530	0.7
137.05959	3.3
139.03897	0.9
139.07458	0.2
140.00104	0.3
140.03415	0.4
145.02831	20.3
146.03186	0.5
149.05945	0.9
151.07520	1.0
153.00713	0.6
153.05482	0.6
154.08516	0.3
163.03879	100.0
163.11159	0.8
164.04214	2.2
164.07031	0.4
181.04953	3.5
181.06389	0.6
181.08578	1.6
181.10533	0.4
181.12228	0.9
182.04483	0.3
182.08044	0.3
186.05428	0.5
192.46521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03934	0.5
55.01858	0.6
55.05494	0.5
56.96550	0.5
57.03416	0.5
57.07036	0.3
63.02360	0.4
65.03933	1.4
67.05486	1.1
69.03413	0.7
69.07043	0.4
69.16390	0.2
70.23715	0.9
78.04707	0.8
79.05476	3.9
81.03402	0.6
81.07038	1.1
83.04975	0.7
85.02882	0.5
89.03901	11.7
90.04682	0.5
91.05461	6.1
92.06271	0.4
93.03378	0.4
93.07023	3.1
94.04150	0.3
95.04949	3.5
95.08581	0.5
97.02887	0.3
97.06523	1.0
98.97567	3.3
103.05460	1.3
105.03386	0.5
105.04483	0.3
105.07015	0.8
106.04163	0.8
107.04931	5.8
107.08580	1.5
108.05720	0.4
109.06510	1.4
111.04411	1.2
116.97285	0.3
116.98605	3.9
117.03365	13.8
117.07038	0.5
119.04922	0.9
119.08552	0.7
120.05717	0.5
121.02867	0.5
121.06489	3.4
121.10120	4.4
122.03665	0.3
123.04414	1.5
123.08043	1.1
125.06006	1.1
134.99651	3.3
135.04391	31.5
135.08031	0.6
135.11642	1.1
136.04703	0.7
136.07587	0.3
137.05959	6.9
137.06990	0.4
138.06741	2.3
139.03857	0.6
139.11220	0.4
140.00203	0.3
142.02583	0.3
145.02826	20.1
145.10089	0.9
146.03134	0.3
148.05165	17.0
149.02312	0.8
149.05998	1.8
150.37833	0.2
151.03865	2.0
151.07516	0.4
153.00684	0.5
153.05441	0.2
153.09094	0.4
154.08543	0.4
158.01237	0.4
163.03873	100.0
163.11134	2.6
164.04218	2.8
164.07039	0.4
165.05449	0.5
166.06274	1.5
166.07539	0.4
171.06471	0.4
181.05115	3.7
181.08568	50.9
182.08934	0.8
186.05453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.03067	0.3
52.42717	0.3
55.01853	0.3
56.96540	0.3
58.31684	0.2
61.39020	0.3
63.02357	0.4
65.03916	0.3
71.47417	0.5
76.02940	0.3
79.05467	2.5
89.03900	11.5
90.04227	0.4
91.05458	2.2
93.07026	0.9
95.04954	1.7
96.56508	0.3
96.61102	0.3
98.97560	3.7
103.05462	0.3
106.12041	0.3
107.04936	5.4
111.04411	0.9
116.98595	3.4
117.03358	15.6
118.03689	0.3
119.04903	0.9
121.06458	1.0
121.10103	0.7
125.05972	0.4
134.99654	1.5
135.04390	33.8
135.11650	0.3
136.04689	0.3
137.05963	1.9
139.03838	0.6
145.02823	21.2
146.03168	0.6
149.05905	0.6
151.07503	0.6
153.05492	0.3
163.03873	100.0
164.04187	2.6
181.04919	1.7
181.08566	1.4
186.05501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01849	0.4
56.96541	0.9
60.73180	0.3
62.36814	0.3
63.02366	0.4
65.03922	0.7
67.05486	0.9
71.30589	0.7
79.05481	3.1
81.03424	0.4
81.07030	1.1
83.04964	0.4
89.03910	11.2
91.05463	2.4
93.03376	0.6
93.07032	2.1
95.04961	2.3
95.08556	0.4
97.02917	0.3
97.06498	0.5
98.97578	7.0
103.05461	0.9
105.07016	1.0
107.04946	5.7
107.08598	1.7
111.04445	1.0
116.54604	0.4
116.98615	7.6
117.03371	16.1
118.03687	0.5
119.04919	1.2
119.08591	0.3
121.02792	0.4
121.06507	2.4
121.10143	4.8
122.06065	0.4
123.08045	1.1
124.85977	0.3
125.06010	0.6
134.99655	5.7
135.04405	30.5
135.08006	0.7
135.11678	1.0
136.04779	0.6
136.07544	0.6
137.05989	2.4
139.03899	1.0
140.00211	0.3
145.02834	20.8
146.03148	0.4
149.02380	0.3
149.05975	1.7
151.07521	0.6
153.00696	0.9
153.05472	0.7
154.08627	0.4
158.01237	0.7
163.03888	100.0
163.11134	1.6
164.04233	2.4
181.04971	3.9
181.06410	0.7
181.08600	1.6
181.09950	0.3
181.12202	1.1
191.53914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.10450	0.3
55.01855	0.8
55.05496	0.5
56.96552	0.4
57.03422	0.3
57.07059	0.5
63.02353	0.5
63.75500	0.3
65.03922	0.9
67.05498	0.3
69.03416	0.5
69.07050	0.3
69.56364	2.8
79.05478	3.6
79.63636	0.3
81.07040	1.0
83.04966	0.7
85.02882	0.5
89.03906	11.9
90.04224	0.4
91.05466	2.4
93.03394	0.4
93.07014	2.2
95.04943	2.4
95.08586	0.9
97.06517	0.5
98.97581	3.4
102.50000	0.3
103.05444	0.6
105.06993	0.5
106.04175	0.3
107.04929	4.9
107.08565	1.4
109.06495	0.5
109.10117	0.3
111.04426	1.3
116.98611	3.8
117.03367	14.0
117.07034	0.5
118.03686	0.3
119.04919	1.0
121.02814	0.3
121.06480	1.8
121.10136	2.8
122.03630	0.3
123.04430	0.4
123.08033	1.0
125.05968	1.2
134.99661	2.5
135.04401	30.1
135.07985	0.6
135.11671	1.0
136.04759	1.0
137.05966	2.4
137.09625	0.3
139.03851	1.0
145.02829	18.5
145.10089	0.5
146.03180	0.5
148.05188	2.3
149.05945	0.9
153.05472	0.3
153.07024	0.3
154.08688	0.3
163.03883	100.0
163.11127	2.0
164.04210	3.1
166.06174	0.4
181.04993	2.9
181.06479	0.4
181.06863	0.5
181.08574	8.6
181.12126	1.9
186.05516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
56.85172	0.2
56.96560	0.4
61.82144	0.2
65.03922	0.4
67.05505	1.2
69.07057	0.3
70.22662	1.1
70.23037	0.4
73.29336	0.2
77.38007	0.2
77.42969	0.2
79.05482	2.8
81.07055	0.3
89.03900	12.2
91.05454	1.7
91.19486	0.2
93.03381	0.4
93.07028	0.6
95.04948	2.6
98.97568	4.3
103.05442	0.3
107.04937	5.1
107.08588	0.3
111.04433	0.8
116.98608	3.5
117.03361	14.2
119.04942	0.5
121.06479	1.0
121.10112	1.1
124.33920	0.2
125.05936	0.2
134.99644	2.3
135.04395	31.5
136.04771	0.7
136.07556	0.3
137.05980	1.1
139.03864	0.7
140.00185	0.2
145.02824	19.3
146.03166	0.6
149.05869	0.3
151.07492	0.3
154.08730	0.3
158.01237	0.3
163.03877	100.0
164.04227	2.0
177.05789	0.3
179.13237	0.2
181.04910	1.9
181.06383	0.5
181.08563	0.8
181.12149	0.5
182.07991	0.4
186.05461	0.4
201.78757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	3.7
55.01867	5.0
55.05502	17.4
55.88701	0.7
56.64129	0.7
56.96554	1.3
57.03426	4.6
57.07072	4.1
59.04988	0.8
59.50438	0.6
60.20248	0.8
63.55872	0.8
65.03925	2.8
67.05496	83.9
69.03416	6.8
69.07057	17.3
69.54297	7.5
71.04986	6.3
79.05483	18.2
80.73166	0.8
81.03415	2.2
81.07047	64.7
81.11632	0.8
82.07370	1.0
83.04959	4.2
83.08617	3.9
84.33714	0.8
85.06501	1.7
85.10143	0.9
91.05473	14.9
93.07037	22.3
95.04958	17.3
95.08595	100.0
96.08921	1.5
97.02889	1.0
97.06522	2.3
98.20630	1.4
105.04477	1.1
105.07014	15.9
107.08578	12.3
108.04453	0.9
109.06500	11.4
109.10146	49.2
110.10482	0.9
112.07571	2.0
117.07032	2.0
119.04949	5.9
119.08563	16.1
120.08058	1.8
121.06469	1.5
121.10118	6.1
123.04406	1.8
123.07258	0.9
123.08067	12.3
123.11723	1.9
131.08484	1.2
133.02872	1.6
133.06499	2.6
133.10098	7.1
134.05995	1.1
134.09602	0.8
135.04356	1.1
135.11688	6.2
136.05208	1.4
137.05977	1.3
137.09595	14.8
137.13281	2.3
138.05557	0.9
138.09093	1.1
147.04372	8.4
147.10889	0.8
151.14810	10.3
161.05974	3.7
161.09631	1.1
161.13249	9.2
162.09119	6.1
162.32108	0.9
163.50060	0.8
164.03943	0.8
179.03366	7.2
179.04707	0.9
179.04974	1.2
179.06503	8.2
179.08607	1.6
179.10677	2.9
179.14291	38.7
180.06535	1.9
180.10168	3.5
191.02374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
51.53647	0.2
53.03930	0.9
55.01876	0.5
56.96546	0.5
57.03428	0.5
61.15213	0.2
63.02369	0.4
65.03938	1.0
67.05489	0.7
67.88839	0.2
69.03403	0.5
69.07048	0.3
69.57983	0.7
69.58404	1.4
71.04972	0.3
78.04684	0.4
79.05480	3.6
81.03402	0.4
81.07043	0.9
82.04177	0.3
83.04980	0.7
84.15644	0.3
85.02892	0.4
85.06538	0.3
89.03902	11.7
90.04237	0.3
91.05460	3.5
93.03388	0.6
93.07032	2.2
95.04949	2.6
95.08572	0.4
97.06535	0.6
98.97564	4.7
103.05460	0.8
105.07023	0.5
106.04213	0.3
107.04939	5.8
107.08570	1.1
108.05726	0.3
109.06506	0.5
111.04423	1.0
112.88199	0.3
113.05995	1.0
116.98604	5.3
117.03359	14.1
118.03668	0.3
119.04932	0.9
120.05726	0.3
121.02870	0.7
121.06480	2.5
121.10116	3.3
122.03548	0.2
122.05999	0.3
123.04395	1.3
123.08048	0.8
125.05967	1.2
133.02827	0.4
134.99658	4.3
135.04391	32.3
135.08002	0.6
135.11664	1.2
136.04787	1.0
136.07562	0.5
137.05948	3.5
138.06723	0.9
138.07774	0.2
138.09109	0.2
139.03906	1.0
139.07547	0.3
140.00204	0.3
145.02827	18.4
145.10103	0.5
146.03152	0.6
148.05164	6.2
149.02321	5.0
149.05997	1.4
151.03873	1.2
151.07523	0.4
153.00699	1.0
153.05518	0.3
154.08595	0.6
158.01230	0.6
163.03876	100.0
163.11121	1.4
164.04211	2.9
164.07043	0.4
165.05385	0.2
166.06238	0.5
166.07718	0.3
171.06514	0.4
181.05020	4.2
181.08563	22.2
181.09839	0.9
181.11882	1.2
182.07977	0.3
186.05510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03928	3.0
55.01870	12.7
55.05505	22.1
56.96556	4.3
57.03432	20.7
58.02432	1.9
59.04984	3.9
65.03934	2.4
67.05495	15.6
69.03430	10.3
69.07053	19.4
71.04986	4.0
71.79135	2.8
72.04509	9.8
74.90858	2.1
76.02200	7.5
79.05061	2.7
79.05478	24.8
81.03384	2.0
81.06596	3.1
81.07045	42.7
83.04966	8.5
83.08595	5.4
85.02917	3.6
85.06519	6.3
89.03897	2.0
91.05466	75.4
93.07026	46.8
95.04940	14.6
95.08589	49.3
97.06476	4.7
97.99130	2.2
98.98456	3.4
103.05433	2.7
105.03362	3.5
105.07011	45.4
106.06641	2.3
107.04922	4.0
107.08577	58.0
108.04446	2.1
109.02853	2.3
109.06503	58.5
109.10131	20.3
111.04462	2.4
111.08059	2.3
112.07585	3.0
117.06992	2.8
119.04928	60.0
119.08568	43.2
120.08096	2.3
121.06494	4.6
121.10126	71.5
122.74491	2.1
123.04418	8.5
123.08058	36.6
123.11671	6.2
125.09598	27.5
131.08557	4.1
133.02853	10.3
133.06487	11.4
133.10109	48.2
135.11673	27.6
136.02049	2.3
136.05116	2.3
137.05931	10.0
137.09569	7.2
137.13245	7.4
138.72542	2.2
146.03656	2.7
147.03479	4.0
147.04391	91.5
151.03879	4.9
151.07520	10.4
151.11153	4.4
161.02370	2.5
161.05946	15.4
161.09596	8.0
161.13234	80.6
162.09108	10.9
179.03380	40.0
179.07118	35.7
179.10696	16.0
179.14285	100.0
180.06508	3.9
180.10138	4.8
180.14609	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03943	1.6
55.01859	2.3
55.05505	5.8
56.96537	0.6
57.03425	3.7
57.07066	0.6
64.52863	0.6
65.03935	1.3
67.05495	18.6
69.03423	0.9
69.07056	5.1
71.04980	1.3
71.18446	1.4
79.05481	20.4
80.72986	0.5
81.03403	3.5
81.07043	22.5
82.07364	0.8
83.04969	4.7
83.08595	3.1
85.06528	2.6
91.05467	17.2
93.07031	11.7
95.04935	3.1
95.08595	21.5
97.06512	5.4
102.52806	0.6
103.05422	0.6
105.07013	19.6
105.07712	1.1
107.08577	100.0
108.08904	2.7
109.06499	5.5
109.10140	6.0
111.08040	2.0
112.07565	1.5
113.09623	1.3
117.07015	0.9
119.04937	2.3
119.08566	27.6
120.08083	0.6
120.08858	0.7
121.10135	11.4
121.10973	1.1
121.67675	0.5
123.08053	23.7
123.11699	1.5
127.07523	1.6
131.08568	0.7
133.06461	1.1
133.10109	8.3
135.11668	5.0
137.09593	4.3
137.13242	1.9
142.97818	0.6
147.04387	3.2
159.11685	0.6
161.05931	1.3
161.13234	54.3
162.06506	0.5
162.09114	3.1
162.13547	1.6
179.03349	3.4
179.06483	2.0
179.08896	0.9
179.14282	47.1
180.10162	1.5
180.14612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1224
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
67.05486	0.4
69.28170	0.3
70.29946	0.7
70.30359	0.9
80.04993	0.5
86.56614	0.4
105.07063	0.4
106.33166	0.3
115.05465	0.6
115.90755	0.4
117.06997	1.2
118.06512	5.8
119.07309	6.5
132.08109	0.8
133.28354	0.4
134.09633	51.7
135.09999	1.4
137.49524	0.4
147.04465	0.4
160.11269	0.7
162.09131	1.5
163.09923	1.1
175.15988	0.3
178.12242	100.0
179.12604	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	179.0699
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03931	0.3
55.01869	1.9
59.04977	0.6
65.03920	1.3
65.13003	0.3
67.05487	0.4
69.03411	0.5
70.12923	1.5
76.02191	0.8
79.05469	1.4
81.07047	0.6
84.08160	0.3
85.02892	0.5
89.03877	0.3
91.05461	29.2
92.05781	0.6
93.07023	0.6
95.04961	1.3
95.08583	0.5
98.21364	0.3
103.05451	1.4
105.03379	1.4
105.07011	4.2
107.04913	1.2
107.08559	0.5
108.04449	0.5
109.06496	0.5
109.10162	0.4
115.05431	0.6
116.01607	0.4
118.04121	1.2
119.04918	37.7
119.08522	0.5
120.05231	0.8
121.06480	0.4
123.04421	2.3
123.08033	0.7
130.58093	0.2
133.02831	3.6
133.06462	9.5
133.10094	1.0
134.09555	0.3
135.04391	0.5
136.05180	0.3
137.05937	0.8
137.09560	0.3
147.04376	100.0
148.04720	2.4
151.03897	1.5
151.07478	1.0
152.07010	0.5
161.02293	0.7
161.05948	5.2
161.07306	0.3
161.09595	0.6
161.13235	0.4
162.09093	0.9
164.04552	0.3
179.02086	0.4
179.03371	12.1
179.07004	15.6
179.10646	1.0
179.12575	0.7
179.14212	0.5
180.03778	0.3
180.07472	0.3
180.10143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.05498	9.1
57.07051	1.7
65.03924	1.1
67.05483	4.7
69.03420	1.1
69.07060	22.1
69.79531	2.0
69.79955	5.1
75.40931	1.0
79.05486	11.6
81.03403	1.0
81.06593	1.3
81.07043	15.9
82.06528	0.9
83.08605	18.6
87.15579	0.9
88.02187	5.7
89.03899	5.3
91.05470	9.2
93.07033	31.9
95.04932	2.1
95.06931	1.2
95.08591	30.9
97.10133	2.6
98.98445	13.2
103.05423	1.4
105.07024	8.7
106.04182	1.1
107.08579	67.8
109.06510	1.5
109.10137	13.4
115.05392	1.0
117.03354	10.2
117.07012	1.3
119.08572	4.2
121.02851	1.5
121.06484	2.4
121.10126	100.0
122.10430	1.1
123.08071	1.1
131.08871	4.1
133.10124	2.5
134.03645	1.8
135.04401	1.4
135.08009	1.1
135.11681	16.4
141.07310	1.0
145.02827	14.8
146.75787	1.0
149.02330	8.1
149.05959	7.4
149.13222	6.2
158.99477	0.8
159.08224	1.8
159.11661	1.5
163.06268	4.1
169.40691	0.9
177.05414	11.6
177.06740	1.2
177.09158	6.0
177.12801	7.0
177.16362	83.2
178.05009	1.1
178.08595	10.7
178.16716	2.1
186.05492	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03923	1.5
54.44003	1.1
55.05497	10.6
57.07066	2.3
65.03912	1.0
67.05491	6.0
67.23316	0.9
69.07056	24.6
71.80181	1.8
76.23299	1.0
78.94853	1.1
79.05473	14.2
81.07042	39.3
82.06578	1.5
83.08604	14.8
84.75942	1.0
88.02206	21.4
89.03918	2.3
91.05463	7.8
93.07033	39.3
94.06558	1.2
95.04942	1.4
95.06086	2.6
95.07989	2.1
95.08594	39.1
97.07643	1.1
97.10139	3.0
98.27309	1.1
98.98469	5.9
105.07005	6.6
107.08575	68.2
108.30252	1.0
109.06459	1.2
109.07607	1.7
109.10136	15.9
110.07187	1.3
111.09167	0.9
117.03343	5.2
119.08561	3.2
119.81433	1.1
121.10126	100.0
122.07111	1.6
122.10444	1.8
128.07095	1.0
131.09035	5.4
133.10112	1.8
134.06998	1.3
135.06647	2.6
135.11670	21.7
136.06093	1.0
136.07645	1.3
136.08670	6.4
139.96040	1.1
141.07379	1.3
145.02841	6.7
149.02307	5.5
149.05956	2.9
149.13240	6.2
150.10257	1.5
160.08731	1.1
163.06296	3.3
177.05397	5.4
177.07532	3.6
177.09489	5.0
177.11302	9.3
177.12759	2.9
177.16359	63.6
178.03476	2.5
178.04956	1.7
178.06856	3.7
178.08589	11.2
178.10875	2.2
178.13382	1.2
178.16701	1.9
184.48706	1.2
186.05554	1.2
186.32841	1.2
197.67499	1.1
197.69286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05502	8.6
57.07058	2.5
63.19270	0.9
67.05502	6.6
68.93353	0.9
69.03389	1.4
69.07056	30.4
69.95470	0.9
71.79707	1.2
79.05477	19.8
81.07040	90.0
82.07372	1.4
83.08601	10.2
88.02200	7.3
89.03903	6.3
91.05463	15.1
92.05806	1.0
93.07027	36.8
94.02675	1.0
95.04963	2.3
95.07987	2.2
95.08591	44.3
97.10166	6.2
98.98448	10.0
103.05438	1.7
105.07009	9.6
107.08573	82.3
108.08912	1.5
109.06497	1.3
109.10125	14.5
117.03354	8.8
117.06991	3.3
119.08558	27.1
121.06484	2.0
121.10123	76.3
122.07233	2.9
122.10414	1.6
123.08049	1.3
130.08611	2.2
131.04941	1.2
131.09009	7.0
133.10103	8.2
134.03607	1.2
134.10867	3.0
135.04326	1.3
135.07079	1.3
135.08043	8.3
135.11678	16.8
137.09589	20.6
141.07382	2.2
144.09248	1.8
145.02824	13.7
147.09077	1.7
149.02283	4.4
149.05962	4.6
149.09625	3.8
149.13214	12.0
159.11671	2.2
160.69661	1.0
161.09581	7.0
162.10313	1.8
163.06252	4.5
177.05385	8.8
177.06609	0.8
177.07605	1.9
177.09271	6.0
177.12730	56.9
177.16345	100.0
178.04936	1.7
178.08623	12.1
178.13194	1.5
178.16661	3.0
186.05435	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	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05499	12.2
55.23664	1.2
55.50581	1.2
57.07074	1.5
67.05494	11.1
69.07048	23.0
69.58462	7.0
69.58900	5.1
79.05479	27.0
81.07040	82.0
83.08598	10.4
86.04907	1.1
88.02189	2.1
91.05470	5.9
93.07029	36.0
94.07432	1.2
95.08585	49.9
97.10149	6.1
105.07031	6.5
107.08574	100.0
108.08867	2.1
109.06519	2.0
109.10143	14.5
117.03355	1.3
121.10120	80.8
122.10463	1.6
135.11670	14.3
145.02750	1.5
149.13206	5.9
177.05444	1.4
177.09396	1.7
177.12796	2.3
177.16348	78.4
178.08583	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	Unknow
Peak:m/z	Relative Intensity
64.49624	11.8
69.54410	97.3
69.54833	38.8
79.05442	20.9
81.07056	25.3
82.74110	14.0
88.01699	15.0
88.02184	80.7
89.03921	23.3
93.07039	16.0
95.06088	19.3
95.08625	22.5
98.98461	20.0
107.08545	27.8
117.03411	26.5
121.10110	64.3
122.68368	13.4
131.08952	37.9
135.11688	19.2
145.02802	33.2
149.05876	25.7
150.08588	15.3
160.40524	12.6
163.06244	29.8
177.05394	16.8
177.09462	27.0
177.11330	31.5
177.14615	13.8
177.16345	49.2
178.07227	19.4
178.08609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03952	0.7
55.05502	8.6
56.71685	0.7
57.07076	1.2
67.05498	3.0
69.07058	23.0
70.10701	3.2
73.46464	1.0
79.05482	10.0
81.07040	15.3
83.08606	19.2
88.02200	4.2
89.03916	3.5
91.05453	6.4
91.13894	0.7
93.07032	28.2
95.04947	1.5
95.08594	31.8
96.08959	0.9
97.10162	1.4
98.98447	5.1
101.94498	0.7
105.07021	7.1
107.08579	60.3
109.06492	1.7
109.10139	12.5
117.03366	5.4
119.08580	1.5
121.02800	0.7
121.10128	100.0
122.10481	2.0
123.08008	0.9
131.08755	1.0
133.10127	1.5
135.10732	1.4
135.11682	16.2
145.02855	5.8
149.02342	3.3
149.05954	2.2
149.13226	4.3
159.11684	1.4
163.06274	1.1
177.05438	4.5
177.09219	2.1
177.12810	3.2
177.16360	81.5
178.08615	6.4
178.16704	2.3
186.05553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.00285	0.4
53.03941	0.6
55.05500	8.9
56.77493	0.4
57.07061	1.4
67.05492	3.6
69.07056	24.2
70.07407	0.5
70.84964	1.3
71.08609	0.5
74.86896	0.5
77.03934	0.5
79.05480	11.5
81.07043	15.1
82.07371	0.5
83.08607	20.0
88.02191	0.9
89.03904	1.5
91.05466	7.3
92.36737	0.4
93.07030	29.3
95.04947	1.2
95.08594	31.5
96.08961	0.4
97.10168	2.2
98.98459	2.9
103.05451	0.6
105.07007	6.4
107.08576	66.6
108.08904	1.2
109.06503	1.7
109.10139	13.7
117.03368	1.7
119.08558	1.8
121.10123	100.0
122.10424	2.3
123.08056	1.2
128.60442	0.4
131.08945	0.4
133.10074	0.9
135.04347	0.4
135.11673	16.1
145.02826	2.5
149.02344	1.6
149.05908	0.9
149.13219	4.6
159.11630	0.8
177.05412	2.2
177.09285	1.3
177.12907	1.6
177.16356	84.2
178.08621	1.7
178.16708	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05501	9.8
57.07063	1.2
57.95583	0.8
65.03937	0.7
67.05499	3.4
69.03406	0.7
69.07057	25.3
70.07404	0.7
70.97226	1.3
79.05485	11.2
81.07041	18.5
83.08606	19.4
86.87225	0.6
88.02202	1.8
89.03889	1.2
91.05463	6.4
93.07027	28.9
95.04974	1.0
95.08591	34.7
96.08968	1.1
97.10155	2.6
98.98440	2.9
105.07027	6.0
105.27832	0.8
107.08576	63.0
108.08926	1.1
109.06498	0.8
109.10146	12.8
113.92893	0.9
117.03360	2.9
117.06968	0.9
119.08574	2.3
121.10123	100.0
121.16103	0.7
122.10475	2.4
131.08907	1.3
133.10109	1.0
135.10634	0.7
135.11668	14.4
145.02812	5.4
149.02272	2.1
149.05913	1.9
149.13245	5.2
159.11687	0.8
163.06267	1.1
177.05458	3.1
177.09305	2.0
177.12830	2.0
177.16357	81.6
178.08598	3.0
178.16721	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03936	6.5
55.01859	4.4
55.05506	27.1
57.03431	8.1
57.07057	4.2
57.48509	1.4
63.41765	1.1
65.03946	1.8
65.25696	1.2
67.05175	2.2
67.05495	22.4
69.03416	5.9
69.07059	45.2
69.44815	9.0
69.45248	5.9
71.04987	15.0
79.05483	60.1
80.05796	1.7
81.07047	53.9
82.48798	1.2
83.04963	2.5
83.08610	7.6
85.06531	1.3
88.07930	1.4
89.03905	8.8
91.05470	49.3
93.07032	100.0
94.07320	1.4
95.04960	14.8
95.08595	22.6
96.21329	1.2
97.06522	3.5
98.21394	2.9
98.98447	2.6
103.05450	1.9
105.04513	1.7
105.07012	28.6
106.04153	1.9
107.04953	8.8
107.08579	62.9
109.06486	16.2
109.10145	2.2
115.05428	4.2
117.03377	19.4
117.07005	38.4
119.08566	17.8
121.05702	1.8
121.06493	20.2
121.10141	17.0
122.07330	2.9
123.08097	1.8
129.06993	9.3
130.07765	6.2
131.08551	33.6
132.08893	2.1
133.06499	1.7
133.10086	10.1
134.03569	2.1
135.08041	12.5
135.11644	7.9
141.07086	1.3
144.09325	8.5
145.02841	26.5
148.08826	2.2
149.05946	7.6
149.09653	2.4
149.13245	17.9
159.11679	30.6
160.12083	1.5
177.05467	12.6
177.09119	2.3
177.12733	42.1
177.16373	2.7
178.13084	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.33191	0.4
57.07052	0.4
61.69047	0.4
63.02364	0.6
71.39707	0.6
71.40030	0.8
72.05515	0.4
73.72405	0.4
78.04706	2.2
79.05519	0.4
89.03907	33.6
90.04267	0.9
90.78880	0.4
91.05460	2.3
93.06998	0.6
95.04976	1.0
98.98488	0.7
99.22101	0.3
103.05449	1.3
106.04159	3.1
106.10114	0.4
107.08572	0.7
117.03365	67.2
118.03699	1.8
119.04959	0.7
121.06480	1.0
121.10123	0.7
124.05200	1.1
127.95708	0.5
134.03619	8.0
135.04419	4.4
145.02827	100.0
146.03128	3.3
149.05956	23.8
150.06354	0.6
158.05963	0.7
162.03113	1.5
163.03860	2.0
177.05450	34.3
177.09087	1.1
178.05803	1.5
178.08617	0.5
186.05470	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03933	0.7
55.05506	1.4
56.04591	0.5
63.02358	0.6
67.05489	1.3
69.07056	3.2
71.58010	0.9
78.04710	2.1
79.05473	1.7
81.07061	1.8
83.08613	2.2
89.03905	31.5
91.05473	4.0
93.07033	5.0
95.04955	1.2
95.08598	7.3
97.10175	0.5
98.98463	1.4
103.05462	1.3
105.07028	1.0
106.04163	2.4
107.08586	11.5
109.10137	2.1
117.03368	59.9
118.03699	1.8
119.04895	0.6
119.08540	0.5
121.02771	0.4
121.06494	1.3
121.10134	16.5
124.05186	0.9
131.04930	0.7
131.08459	0.5
134.03621	7.2
135.04431	5.0
135.11688	2.6
145.02834	100.0
146.03174	3.3
147.04306	0.6
149.05966	21.9
149.13303	0.8
152.02307	0.6
156.60999	0.5
158.06062	0.7
160.07634	0.8
162.03110	1.6
163.03894	1.7
177.05457	36.9
177.08990	1.2
177.12772	0.7
177.14917	0.8
177.16385	11.4
178.05791	0.9
186.05481	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0907
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.05499	0.2
65.96644	0.1
69.07056	0.3
70.92667	0.3
70.92995	0.2
78.04678	0.3
79.05479	0.6
80.59164	0.1
81.07037	0.2
89.03904	1.8
91.05463	2.6
93.07040	0.9
95.04961	0.3
95.08595	0.6
98.98466	0.2
103.05456	0.5
105.07018	0.8
106.04168	0.3
106.07789	0.3
107.08570	1.0
109.06484	0.2
113.64877	0.2
115.05437	2.9
116.06236	2.4
117.03370	3.7
117.07008	9.9
118.07334	0.2
119.04906	1.1
119.08549	0.3
121.06486	2.3
121.10133	1.3
131.04944	0.2
131.08530	0.3
133.06477	2.7
134.03653	0.4
134.07262	3.3
135.04449	0.2
135.08034	1.6
135.11639	0.2
144.05681	1.5
145.01653	0.4
145.02823	6.5
145.06462	1.5
146.03203	0.3
147.04407	0.5
147.07928	0.3
149.05966	1.6
149.09598	0.7
159.08072	0.3
161.05931	1.0
162.06744	11.8
163.03876	0.2
163.07062	0.3
175.07562	0.3
176.08281	0.2
177.05559	2.5
177.09085	100.0
177.16379	0.8
177.71849	0.2
178.09439	3.2
186.05534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.07677	0.3
53.03943	0.7
55.05507	1.0
56.31108	0.4
57.51304	0.3
63.02352	0.8
67.05481	0.7
68.84314	0.4
69.07065	2.1
71.07291	0.8
71.07626	0.7
78.04689	2.3
79.05482	1.6
81.07051	1.7
83.08604	1.4
87.04467	0.5
88.02206	0.7
89.03904	36.2
90.04238	0.6
91.05457	4.4
93.07033	4.6
93.40555	0.4
95.04958	1.3
95.08582	3.2
95.28331	0.4
98.98441	2.9
103.05459	1.8
105.04343	0.3
105.07018	1.1
106.04133	2.7
107.04947	0.7
107.08569	6.1
108.02105	0.4
109.06504	0.6
109.10120	0.8
117.03361	66.7
118.03688	1.8
119.04928	0.7
121.06489	1.7
121.09257	0.6
121.10118	11.1
124.05199	1.1
131.08644	1.4
134.03613	9.4
135.04407	6.0
135.11670	1.7
145.02823	100.0
146.03157	2.9
148.38733	0.4
149.02309	2.7
149.05956	24.0
149.13222	0.4
150.06305	1.0
158.06012	1.2
159.07956	0.5
159.11668	1.5
162.03105	3.9
163.03883	3.6
163.06322	0.7
177.05441	40.6
177.09137	2.0
177.12733	3.3
177.16350	7.7
178.05768	1.6
178.08580	2.1
186.05482	6.7
194.48433	0.4
198.17769	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
57.03425	2.2
57.07070	32.3
59.82170	0.4
63.02374	1.2
69.54047	0.7
69.54451	4.4
78.04695	2.4
79.05495	1.0
79.29440	0.5
79.62772	0.5
85.06538	19.7
89.03909	36.9
90.04266	0.9
91.05466	3.4
93.07040	0.7
93.36420	0.5
95.04945	1.1
98.98470	0.6
103.05466	2.1
103.07567	2.5
105.03368	0.6
106.04158	4.7
107.08562	0.6
117.03370	68.5
118.03706	1.6
121.06483	2.1
123.34997	0.5
124.05222	0.9
134.03616	9.9
134.04553	0.8
135.04408	7.6
145.02835	100.0
146.03171	2.1
149.02347	0.6
149.05963	25.3
158.06036	0.7
159.10173	4.2
162.03156	3.3
162.05556	0.5
162.87274	0.5
163.03891	3.5
163.06232	0.6
177.05457	42.1
178.04883	4.9
178.08609	1.5
181.78581	0.5
186.05505	2.3
186.92793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.16258	0.4
55.05494	0.7
63.02376	1.1
65.03923	1.2
65.37890	0.4
69.07058	1.3
69.51660	1.2
69.52086	2.7
71.95007	0.4
73.81741	0.4
78.04694	1.7
79.05479	1.3
81.07033	1.2
83.04971	0.6
83.08576	0.6
88.02212	0.4
89.03902	35.5
90.04243	0.8
91.05466	3.4
93.03386	0.7
93.07014	2.5
95.04958	2.1
95.08601	1.5
98.20726	0.9
98.98444	3.0
103.05447	1.5
104.04613	0.4
105.03362	0.6
105.07024	1.0
106.04151	2.6
107.04938	0.5
107.08585	2.9
111.04452	0.5
117.03359	68.4
117.07010	1.0
117.14026	0.4
118.03654	1.8
119.08531	0.6
121.02853	3.2
121.03873	0.8
121.06476	1.8
121.10124	4.0
124.05183	1.0
131.08568	1.2
133.10153	0.7
134.03606	7.7
135.04396	7.3
135.08023	0.6
135.11716	1.2
142.37395	0.4
145.02821	100.0
146.03174	3.6
149.02319	35.4
149.05952	24.4
149.13300	0.4
150.02699	0.8
150.06342	0.7
158.05986	1.8
159.08072	0.7
159.11688	1.2
162.03116	2.4
163.03871	3.4
163.06079	0.5
167.03403	0.5
177.05440	40.1
177.09167	1.4
177.12718	3.1
177.16338	2.9
178.05904	0.8
178.08575	1.3
186.05464	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	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49312	0.8
54.01651	0.7
68.52332	0.9
71.47585	1.5
77.95393	0.9
82.06558	3.0
94.06561	2.1
104.45291	0.8
109.44354	0.7
111.26588	0.8
112.07598	2.5
128.07014	2.1
130.08623	18.5
132.02094	100.0
133.02402	2.4
140.07021	2.8
144.05711	0.8
145.24837	0.8
150.03116	2.2
158.08151	1.4
168.01546	0.8
176.01070	29.9
176.09167	11.5
194.69426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
63.02374	1.3
66.49581	0.4
70.27617	2.1
78.04706	2.5
79.05492	0.6
88.26544	0.5
89.03903	35.8
90.04261	0.5
91.05486	2.7
93.07009	0.6
95.04953	0.8
98.98444	0.7
103.05460	1.4
105.07063	0.7
106.04137	2.5
107.04935	0.5
107.08546	0.7
117.03361	63.0
118.03703	1.3
119.04933	0.8
121.06467	0.8
121.10118	0.9
124.05245	0.6
131.04944	0.5
131.08553	0.5
134.03622	7.1
135.04408	5.0
145.02820	100.0
146.03235	2.7
149.05954	21.1
150.06339	0.5
158.05928	0.5
160.07605	0.9
162.03131	1.4
163.03868	2.7
177.05441	36.8
177.09023	1.9
178.06100	0.8
178.08604	0.7
186.05496	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	0.6
55.05501	5.2
57.07069	1.1
67.05498	1.1
69.07056	18.1
71.19329	1.3
76.00655	0.4
79.05476	1.8
79.15938	0.5
81.07047	5.2
83.08612	3.4
91.05471	6.5
91.68911	0.4
93.07018	2.7
95.08589	5.4
98.98458	0.8
103.05460	0.6
104.06216	0.6
105.07014	18.7
107.08552	3.4
113.50862	0.4
115.05386	0.7
117.07001	1.9
119.08559	66.5
120.08900	1.4
121.10137	1.9
130.55307	0.5
131.08536	2.8
132.09386	0.5
133.10107	57.5
134.10492	1.5
135.11662	0.8
145.10088	5.4
146.10857	1.1
147.11667	8.3
148.12073	0.6
160.12434	3.0
173.13237	1.7
175.14795	100.0
176.09138	0.5
176.15121	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	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.8
56.93087	0.6
57.07068	1.2
57.60292	0.5
61.99106	0.5
67.05487	1.1
69.07059	19.6
79.05479	1.5
80.89641	0.5
81.07049	3.6
83.08603	3.1
91.05471	7.0
93.07039	2.6
95.08589	4.2
98.21528	1.0
98.98467	1.6
103.05466	0.6
103.76830	0.6
105.07012	19.9
107.08582	4.4
117.07006	2.8
119.08563	72.8
119.98501	0.5
120.08867	1.5
121.10129	2.1
126.79263	0.5
130.08632	1.0
131.08549	2.2
133.10107	60.6
134.10446	2.4
134.81245	0.6
135.11671	0.8
145.10075	4.7
146.10785	0.6
147.11681	8.1
160.12465	2.9
173.13274	2.1
175.07518	1.4
175.14799	100.0
176.09132	0.8
176.15196	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	1.0
55.01849	0.8
55.05499	6.6
56.94300	1.0
56.96558	0.9
57.07054	0.8
60.05630	1.1
60.88786	0.7
61.02900	0.7
61.12820	0.5
67.05487	2.6
69.03393	2.8
69.07062	20.3
70.06577	3.7
70.12737	3.5
72.08163	0.9
72.93757	0.9
74.80727	0.6
79.05464	1.9
81.07037	5.4
82.06564	1.4
83.04962	1.6
83.08586	4.2
85.02911	3.7
87.04474	0.8
90.94823	1.1
91.05466	18.5
93.07024	3.8
94.06536	2.2
95.08595	7.8
97.02879	3.5
98.03639	0.8
98.98452	20.1
103.05463	1.1
104.06223	0.8
105.07013	23.1
107.04921	1.4
107.08579	4.0
111.04420	1.9
112.07526	1.6
112.98951	0.7
114.09148	0.9
115.03920	1.8
115.05421	5.3
115.09478	2.4
116.07036	1.0
116.97205	1.0
116.99451	0.8
117.07006	4.1
119.04906	2.0
119.08562	75.9
120.08849	1.8
121.06459	0.9
121.10128	2.4
127.03893	1.4
128.06198	0.8
128.07048	1.5
129.06947	1.2
130.06508	4.2
130.08629	11.4
131.04890	0.8
131.08543	3.2
132.04373	1.5
132.05699	2.7
132.95811	4.4
133.06468	1.0
133.10109	61.2
134.10443	2.4
135.08037	1.2
139.03966	0.9
140.07040	2.7
143.04887	1.5
144.05653	0.8
145.06464	0.7
145.10124	5.8
146.10818	1.2
147.04352	2.3
147.06285	1.1
147.08031	9.7
147.11659	9.7
148.07449	0.9
150.96858	2.9
157.04904	0.9
157.07565	1.0
158.05952	2.8
158.08102	1.2
160.05179	6.3
160.12447	3.7
173.13176	2.1
175.03888	1.0
175.05974	2.5
175.07477	16.7
175.11694	3.7
175.14793	100.0
176.07042	2.6
176.09193	9.5
176.10669	1.5
176.15160	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03936	0.8
55.05508	5.8
57.07058	1.2
67.05524	0.7
69.07064	20.2
71.52504	0.7
71.52824	0.6
76.02726	0.5
79.05477	1.7
81.07047	4.5
83.08610	4.4
91.05483	8.3
93.07035	3.1
95.08604	4.1
95.81107	0.6
98.98467	1.1
105.07026	18.6
107.08580	4.0
117.07009	2.9
119.04926	1.2
119.08569	73.2
120.08910	1.7
121.10140	2.4
130.06447	0.6
131.08575	2.9
133.10120	59.4
134.10487	2.0
135.11678	0.7
145.10114	5.7
146.10851	1.1
147.04367	0.8
147.11688	7.9
159.11700	0.6
160.12473	2.4
172.65964	0.6
173.13246	2.4
175.07536	0.9
175.14810	100.0
176.15094	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	0.7
54.97981	0.6
55.05505	9.2
57.07071	1.3
65.03961	0.6
67.05493	3.4
69.07058	23.2
71.09910	1.7
79.05488	4.0
81.07043	18.2
83.08610	5.0
91.05463	13.3
92.12341	0.6
93.07033	7.2
95.04922	1.0
95.08593	15.1
96.08897	0.6
98.98478	1.0
101.90419	0.6
103.05449	1.1
104.06210	0.7
105.07015	40.2
105.40120	0.6
106.07393	0.6
107.08572	9.6
109.10135	1.2
117.06985	3.7
119.08564	86.5
120.08913	2.3
121.10130	3.3
130.06494	1.0
131.08528	4.8
132.09267	0.7
132.97810	0.6
133.10112	73.5
134.10483	2.7
145.10106	5.1
146.10880	1.8
147.11667	12.0
160.12445	3.2
173.13190	1.7
175.14798	100.0
176.15157	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	175.1115
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01865	1.5
55.05506	6.0
56.01265	1.0
56.96559	1.2
57.03426	96.3
59.04974	1.0
61.02901	2.1
65.07386	0.9
67.05486	2.3
69.03400	3.1
69.07058	13.2
70.06569	2.0
71.79688	1.6
79.05463	3.9
81.03393	0.9
81.07038	9.5
82.06565	1.2
83.04966	1.5
83.08596	2.2
85.02878	3.8
87.04439	2.0
91.05468	16.3
93.07010	4.9
94.06528	1.5
95.08578	6.9
97.02878	3.8
98.03667	1.5
98.98448	51.6
103.05408	1.2
105.06326	1.5
105.07019	30.0
107.08588	5.8
111.04432	1.1
112.07583	2.1
114.09102	2.2
115.03873	3.7
115.05412	1.1
115.09469	3.1
116.11566	0.9
116.99476	2.4
117.06962	6.5
118.07684	1.2
119.04893	1.5
119.08561	100.0
120.08871	2.2
121.06567	0.9
121.10069	1.3
125.02323	1.2
127.03931	1.1
129.06927	1.7
130.06488	1.5
130.08633	7.0
131.08528	4.3
133.06439	1.6
133.10104	48.7
139.03856	1.6
140.01048	1.7
140.07071	2.2
142.07726	3.3
145.06477	1.0
145.10091	3.6
147.04399	1.4
147.08017	5.5
147.11644	12.8
151.93771	2.1
157.10114	6.4
160.08784	1.2
160.12468	1.5
173.13208	1.3
173.93158	1.1
175.03816	2.0
175.06015	1.7
175.07594	5.5
175.11171	44.4
175.14786	73.8
176.07047	4.1
176.09146	8.4
176.15141	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	174.1123
Annotation	ACEXAMIC ACID
Peak:m/z	Relative Intensity
55.01871	0.1
55.05493	0.3
56.96557	0.5
57.03427	0.2
57.28349	0.1
60.04514	0.2
60.05641	0.2
61.02923	0.3
67.05502	0.2
68.05013	0.6
69.03403	0.2
70.06583	0.8
70.62908	0.3
70.98096	0.1
71.04974	0.2
72.08150	0.2
72.95421	0.1
73.02905	0.2
79.05485	0.8
80.05005	0.3
80.48285	0.1
81.05779	1.2
82.06576	0.1
83.04970	1.6
84.08131	0.5
85.02890	0.2
91.02344	0.1
94.06550	0.8
96.08116	5.4
97.02877	0.2
98.09686	0.1
98.30785	0.1
98.97576	0.4
101.00876	0.2
102.05548	0.1
111.02906	0.1
114.09148	100.0
115.02502	0.1
115.08720	0.2
115.09486	1.9
116.07093	0.1
116.98599	0.2
119.01926	0.5
121.01648	0.1
124.55225	0.1
128.10687	1.1
130.08620	0.2
131.01869	0.2
132.02005	0.1
133.03419	0.2
137.02927	0.2
142.08582	0.2
145.03487	0.1
154.03807	0.1
155.01964	0.1
156.10179	1.4
161.02908	0.1
163.02818	0.1
163.04384	0.2
173.02917	0.1
174.11229	44.4
175.11600	0.9
175.52100	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	174.1124
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
51.14561	0.2
53.37220	0.2
55.05497	0.6
56.05025	0.3
56.05838	0.2
57.03428	0.4
57.05792	0.2
60.04527	1.3
67.05500	0.7
68.05013	0.2
69.03432	0.4
69.07062	8.2
70.06586	1.6
70.46309	0.8
70.95852	0.4
71.04974	0.2
72.04511	0.8
72.93785	0.6
79.05473	0.2
81.07047	0.6
82.06564	0.5
83.04968	0.5
84.04510	0.3
85.02902	0.4
86.06072	0.4
86.09695	100.0
87.09528	0.2
87.10020	1.3
90.94795	0.3
91.05458	1.3
93.07021	0.3
95.04958	0.5
95.08600	0.6
96.08134	0.3
97.02872	0.9
98.98465	3.9
100.07582	0.3
103.05415	0.2
105.07006	0.8
111.04462	0.3
111.98479	0.4
112.04713	0.2
112.07600	0.5
114.05505	0.6
114.09155	9.1
115.03899	0.4
115.05467	0.6
117.07011	0.3
118.06542	0.8
119.04889	0.5
119.08569	2.5
128.05006	0.4
128.07045	1.0
128.10704	27.7
129.11032	0.5
129.99489	0.4
130.08647	0.6
131.08575	0.3
132.04495	0.2
132.08052	0.5
132.10185	11.0
132.95818	0.9
133.10095	1.9
143.04907	0.4
145.10097	0.2
146.05988	1.6
146.08109	0.4
147.04411	0.7
147.11646	0.3
150.96870	1.9
154.34320	0.2
155.97417	0.8
156.10149	0.4
159.11305	0.3
160.05206	0.8
173.98433	1.0
174.05504	1.2
174.07631	0.8
174.08974	0.5
174.11322	4.6
174.12802	1.4
174.13739	0.4
175.03860	0.3
175.06062	0.4
175.07466	2.1
175.11325	0.4
175.14796	3.2
183.62404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
52.76152	0.3
53.03936	0.5
55.01865	3.4
55.05500	3.4
56.96556	1.2
57.03420	0.6
60.93599	0.3
65.03933	19.7
66.04254	0.5
67.05502	2.1
67.14888	0.4
68.99780	6.1
69.03409	1.4
69.07055	0.9
70.06548	0.4
70.12436	0.9
70.12852	1.2
71.04963	0.5
72.04498	2.8
72.93763	0.4
73.02899	0.5
79.01863	0.5
79.05479	1.0
81.03396	2.7
81.07053	0.7
83.01328	0.7
83.04967	10.7
83.08622	1.2
84.08146	0.8
85.02901	0.7
86.09692	0.4
87.01633	0.4
88.95300	0.5
89.07129	2.0
90.02443	0.3
91.52090	0.7
93.03394	6.4
93.07040	0.7
95.04949	1.0
96.02103	0.8
97.02869	1.2
97.06500	0.6
98.20767	0.4
98.97562	0.4
103.03087	0.3
104.02158	0.8
107.04905	0.5
107.08538	0.4
109.02853	0.4
109.06475	0.6
109.54543	0.3
110.01231	0.5
111.04427	77.0
112.04749	1.3
116.98629	0.5
118.54396	0.6
119.01881	0.8
121.02850	1.2
121.03970	5.6
125.02636	1.3
125.05952	1.0
126.05504	0.3
126.09138	0.5
127.03848	0.5
129.53627	1.0
138.54144	2.4
139.00294	3.6
139.03880	100.0
140.04234	1.6
147.54648	2.2
148.02852	0.4
153.01826	0.8
153.05453	1.0
156.55157	0.5
157.01302	2.7
171.02867	1.1
171.06512	9.4
171.07928	0.7
171.11978	0.6
171.14906	2.8
172.09689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01855	0.8
55.05502	13.7
57.03429	3.1
61.02926	0.6
65.03926	0.8
67.01834	0.4
67.05488	4.3
69.03419	1.0
69.07069	0.7
71.01341	1.1
71.04997	0.6
72.04498	3.0
74.27145	0.4
79.05506	0.5
81.07044	0.5
83.04969	50.3
83.08595	1.4
84.05276	0.6
84.08133	0.4
85.02893	100.0
86.03226	1.1
87.04455	2.3
89.07155	2.3
98.20551	0.8
101.00755	0.4
111.04427	24.5
129.05466	6.2
138.02571	0.5
143.08568	0.8
152.56927	0.5
156.09369	1.3
171.06531	1.2
171.11710	1.2
171.14885	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	171.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
55.01837	0.7
55.05504	14.4
57.03439	2.5
61.02919	0.5
62.40895	0.4
65.03927	1.5
67.05494	4.1
69.03419	0.9
69.07056	1.0
69.44125	0.4
69.44451	5.9
71.01340	0.8
71.04972	1.0
72.04503	4.0
79.05498	0.8
83.04967	54.3
83.08610	1.2
84.05273	0.5
85.02892	100.0
86.03208	1.2
87.04456	2.0
88.04732	0.4
89.07143	3.3
95.04981	0.4
97.10136	0.5
98.20689	0.7
99.04436	0.9
111.04429	21.5
129.05469	6.9
129.06998	0.6
143.08551	0.8
148.72552	0.5
156.09317	1.6
171.06514	12.8
171.07944	1.0
171.11671	3.4
171.14882	3.7
172.09724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47240	0.6
53.03931	1.1
55.01852	1.2
55.05500	17.1
55.27185	0.7
57.03423	3.5
61.02927	0.9
65.03933	1.2
67.05501	5.1
69.03413	1.2
69.07056	1.0
71.01340	1.5
71.79766	0.9
72.04501	8.3
73.02914	0.8
79.05472	0.9
83.04965	52.3
83.08611	3.4
84.04502	0.7
84.05298	1.2
84.08137	0.8
85.02890	100.0
86.03218	0.7
87.04453	1.9
89.07144	7.9
92.00201	0.6
97.06522	1.1
99.04417	0.6
107.08624	0.6
111.04424	24.3
124.38097	0.6
126.09082	0.9
128.06210	1.5
129.05455	7.5
141.06996	0.7
143.08537	3.3
153.12587	0.7
156.09358	2.5
163.54662	0.6
171.06532	1.5
171.07945	1.2
171.10207	0.9
171.11676	3.7
171.14879	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	169.0494
Annotation	480-66-0
Peak:m/z	Relative Intensity
50.97583	0.3
53.03946	0.5
55.01863	0.9
55.05502	1.5
57.03426	0.8
57.07067	1.0
59.04999	0.6
65.03925	1.7
67.01856	14.5
67.05497	4.9
68.99777	2.9
69.03428	1.4
69.07064	2.2
69.65805	3.2
70.06592	0.6
71.04988	3.0
79.05489	2.3
81.03401	2.7
81.07044	8.5
83.04967	2.9
83.08582	0.4
84.04480	0.4
85.02377	0.7
85.02893	11.5
85.06519	2.1
86.03214	0.5
91.05462	1.5
93.03400	1.0
93.07024	2.3
95.04961	5.8
95.06828	0.4
95.08593	4.6
96.04484	0.4
97.02876	0.4
97.06541	0.8
99.04446	1.4
105.07027	2.0
107.08579	2.3
109.02867	5.3
109.06498	3.0
109.10142	5.7
110.06030	0.4
111.00801	2.1
111.04421	4.2
111.08070	2.3
113.06001	0.9
113.88717	0.4
115.05486	0.4
121.10140	0.6
123.04414	20.0
123.08033	2.2
123.11691	3.8
124.04768	0.6
124.07577	1.0
125.05985	0.9
125.09606	1.1
126.03131	3.2
127.03900	13.3
127.07523	0.9
128.06982	0.4
128.95119	0.5
129.01836	0.8
133.02838	0.4
133.10124	1.4
141.05444	8.0
142.08578	0.3
146.96120	0.6
151.03883	51.4
151.11154	3.7
152.04247	1.1
152.06961	0.9
154.06238	0.7
154.07681	0.4
169.04939	100.0
169.07550	5.7
169.12184	2.0
170.05356	2.5
170.08093	1.2
170.09547	0.8
183.01131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.081
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.01867	6.8
55.05506	4.1
55.93516	1.2
56.05023	5.1
56.96560	24.1
57.03422	1.8
57.07058	1.0
59.04980	1.1
60.95842	0.8
65.03938	2.4
66.16793	0.7
67.05505	3.9
67.51049	0.7
68.05016	5.2
68.05818	0.9
68.99786	1.5
69.03419	7.1
69.07064	4.1
69.72988	5.2
70.06583	59.4
70.98103	1.5
71.04980	2.2
71.06902	0.8
72.04504	3.8
72.08154	1.6
73.02895	1.4
74.97589	1.8
79.05482	7.1
80.05003	2.1
81.03398	1.2
81.05808	0.9
81.07027	3.2
82.02909	1.0
82.06567	3.8
82.07362	0.8
82.51540	0.9
83.01307	0.8
83.04957	3.3
83.08605	1.6
84.04489	5.2
84.07639	1.3
84.08133	23.1
84.96011	1.1
85.02887	2.3
85.06510	0.9
86.06081	1.6
86.09707	3.0
87.00810	1.2
87.04462	2.2
88.12327	0.6
88.96875	1.0
88.99139	1.1
89.07134	2.7
91.02311	0.7
91.05492	0.6
91.52077	1.1
91.65580	0.6
92.03056	0.7
92.04973	1.5
92.98640	0.7
93.05779	2.8
93.07029	0.8
94.06558	3.6
95.04963	4.2
96.01574	0.7
96.04477	8.2
96.08118	29.4
97.02837	1.6
97.06533	1.8
97.08920	0.6
97.99173	1.2
98.06020	1.7
98.20679	0.9
98.97555	3.3
100.03941	0.7
100.07602	1.2
104.01314	1.3
105.02073	3.2
106.01010	0.9
106.06541	13.4
106.07259	0.9
107.04937	1.3
107.08655	0.8
108.08114	3.6
109.02882	0.6
109.06566	0.7
109.50905	1.2
109.53925	0.8
110.02441	0.7
110.03168	0.8
110.06070	3.8
110.07172	0.8
110.97574	1.9
111.00815	1.2
111.04444	8.0
112.04758	1.5
114.02599	1.2
114.05506	2.7
114.09158	12.5
115.03938	1.0
116.00240	1.0
116.98595	4.1
118.03502	1.0
118.51411	1.5
119.01851	2.1
120.08122	0.8
121.06502	1.5
122.06007	1.1
122.08730	0.8
124.07579	70.6
124.11191	5.3
124.54487	1.0
125.05987	1.8
125.08372	2.3
125.09595	0.6
126.05516	1.1
126.09153	1.5
127.01540	1.2
127.03902	2.2
128.07039	3.6
128.95044	5.1
128.98576	6.1
129.53615	1.3
133.02403	0.9
134.06001	11.6
134.99646	2.4
135.08014	0.8
138.54146	5.3
139.00266	7.1
139.01413	1.1
139.03883	8.3
140.07033	5.4
142.03349	0.8
142.05777	2.3
142.08623	31.8
142.50781	1.1
143.08891	0.9
143.11777	0.7
146.96120	4.8
146.99652	8.0
147.03195	1.3
147.04996	0.8
147.54640	5.5
148.02078	2.3
152.07036	24.9
153.01819	1.5
153.05475	1.2
155.03365	4.7
156.55183	1.0
157.01323	9.6
158.99615	0.8
159.27240	0.7
161.01213	1.6
164.02293	1.6
165.00676	1.7
170.05754	4.5
170.08125	100.0
170.09615	10.1
170.11682	8.7
171.02908	2.7
171.06557	1.5
171.08440	2.4
171.14937	2.2
177.00688	1.2
178.98671	0.8
181.98772	0.7
189.00731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
56.96554	5.3
57.07067	0.3
60.99619	0.6
65.03934	0.4
67.05505	1.0
67.92506	0.7
67.93564	0.8
69.03427	0.9
69.07060	1.1
70.23018	0.9
70.23429	1.2
71.04982	0.4
73.98542	0.4
77.00874	0.5
79.05499	0.6
80.05011	0.7
81.03408	1.1
81.07053	1.1
82.94828	1.1
83.08613	0.5
84.96010	0.5
84.99549	0.8
85.97303	1.2
90.49425	0.5
93.03402	0.4
93.07030	0.5
94.06544	0.8
95.08596	0.8
96.04429	0.4
96.50563	0.4
97.02888	0.5
98.06045	0.6
100.02444	2.3
102.02188	1.9
102.03326	0.6
103.00613	10.8
103.02489	0.7
103.95639	0.6
103.98311	9.0
104.00918	4.8
105.00228	0.4
106.89606	0.4
107.08568	0.6
108.04514	0.5
109.02843	2.5
109.10118	0.6
109.98861	0.5
111.03841	1.3
111.04443	1.6
115.01179	0.9
115.02426	0.5
115.04153	0.6
117.02168	0.6
118.03516	1.3
118.94279	0.7
119.01894	1.5
119.03642	0.7
120.01952	1.9
120.03258	1.5
121.01649	100.0
121.99352	58.2
122.01943	42.6
122.05961	1.0
122.09641	0.4
122.99414	1.7
123.02064	2.3
123.04360	0.5
123.97409	1.2
124.04599	2.2
126.02194	1.6
126.03049	0.5
126.05477	1.3
126.93750	0.7
126.95547	0.7
126.99828	2.2
127.02460	2.4
127.03883	0.8
128.01813	0.5
130.97462	0.8
131.01900	0.5
132.49719	0.9
133.03410	0.6
133.05154	0.7
135.03210	1.2
137.01225	0.5
137.02890	0.4
138.03052	1.3
139.02678	49.3
139.98029	1.3
140.00385	52.2
140.02986	20.9
140.07036	1.1
140.95113	0.7
141.00453	2.1
141.03110	1.6
141.05461	2.6
141.50247	0.7
142.03535	0.6
144.03209	42.3
145.00934	74.2
145.03551	72.8
146.01042	2.4
146.02792	0.9
146.03853	2.2
146.97473	0.4
150.05479	1.5
150.09161	0.5
151.03925	0.7
154.59084	0.6
162.04269	19.7
162.95837	1.2
163.01961	79.0
163.04626	29.9
164.02095	3.7
164.04790	0.6
167.04787	2.3
168.02524	4.8
168.05124	6.5
168.06522	1.8
168.10179	1.2
169.04941	1.7
181.03731	0.9
181.98683	0.5
186.03517	2.8
186.06143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00293	2.1
53.03936	1.7
55.01859	1.6
55.05504	13.7
57.03434	10.0
57.07052	5.0
59.04974	2.9
59.64991	1.1
64.26300	1.0
65.03910	1.7
67.05495	23.7
69.03396	3.2
69.07065	18.0
69.82356	6.6
71.04613	1.7
71.04987	30.0
73.06187	1.1
73.06547	13.3
78.04699	12.1
79.05050	1.1
79.05477	19.1
81.03411	2.2
81.07048	38.0
83.04968	3.7
83.08616	6.7
85.06531	2.7
89.25855	0.9
91.05469	7.6
93.07034	45.4
94.04173	1.2
95.04967	6.9
95.08595	71.2
96.08927	1.9
97.06545	4.7
99.09077	1.0
105.03365	1.6
105.06994	5.8
106.04161	4.3
107.04964	5.6
107.08582	45.7
109.02846	2.4
109.06502	4.7
109.10138	25.9
111.08076	6.8
114.96011	1.0
119.08547	1.0
121.02840	2.2
121.06518	1.7
121.10133	32.6
122.03657	1.3
122.10467	1.1
123.04416	18.8
123.08035	6.2
123.11710	12.5
123.96346	1.0
124.05212	7.8
125.05981	2.0
125.09645	5.6
131.08586	1.3
135.04488	1.0
137.05981	1.1
139.07515	2.1
149.02312	2.4
149.09622	3.9
149.12091	1.9
149.13242	33.0
150.05452	2.4
150.13570	1.0
151.03862	4.3
152.04634	3.9
167.07022	100.0
167.10663	5.8
167.14296	15.6
168.06279	1.1
168.07391	3.7
176.27670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01861	1.3
55.05500	8.1
57.03421	8.1
57.07059	2.5
59.04977	1.5
65.03926	1.2
67.05495	15.8
69.03413	2.4
69.07054	10.8
69.51726	0.6
71.04980	2.2
71.79363	1.0
71.79745	0.7
78.04697	10.0
79.05477	14.4
81.03407	1.1
81.07041	21.2
83.04970	5.3
83.08602	8.1
85.06536	1.6
91.05467	10.5
93.07028	41.0
94.06564	0.8
94.07359	1.0
94.24546	0.7
95.04955	6.6
95.08593	13.3
96.05745	1.5
97.02872	1.4
97.06522	9.3
97.10170	1.7
98.06075	0.7
103.05453	0.8
105.03372	2.7
105.04493	0.8
105.07000	9.4
106.04136	4.3
107.04964	5.7
107.08575	99.8
108.08910	2.7
109.02866	1.9
109.06495	5.4
109.10136	48.6
110.03661	0.7
110.10452	1.1
111.04397	0.9
111.07332	0.5
111.08054	11.8
111.11728	0.8
119.08574	1.1
121.02834	1.2
121.06492	3.2
121.10123	72.7
122.03622	1.6
122.10474	1.9
123.04413	20.6
123.08054	7.1
123.11680	9.8
124.05211	9.6
124.11922	0.8
125.05975	4.1
125.09619	3.8
127.08907	0.8
131.08505	1.4
134.03584	1.2
137.05956	1.2
139.07523	9.1
139.11102	3.3
149.02296	1.9
149.09610	4.7
149.13232	29.5
149.14426	1.6
150.05486	1.7
150.13568	1.4
151.03885	3.9
152.04665	5.5
167.03349	2.0
167.07011	100.0
167.10632	9.8
167.14275	12.5
168.07539	4.1
168.14688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Norecasantalol
Peak:m/z	Relative Intensity
53.03929	1.8
55.01357	0.6
55.01857	0.9
55.05507	6.3
57.03420	3.8
57.07061	2.3
59.04992	0.7
63.44483	0.7
65.03931	1.4
65.98174	0.6
67.05495	15.2
67.93536	0.7
69.03403	1.7
69.07054	10.4
71.04979	4.8
71.79166	0.9
71.79572	0.7
73.06532	1.6
78.04700	8.2
79.05480	12.9
79.64047	0.6
81.03405	1.4
81.07040	21.3
83.04979	3.3
83.08606	6.3
85.02908	1.3
85.06540	1.5
91.05461	7.9
93.03397	1.0
93.07029	31.3
94.06556	0.7
94.07344	1.1
95.04953	5.1
95.08588	19.5
96.05788	0.7
97.06514	10.3
97.10134	1.2
103.83701	0.6
105.03390	2.4
105.07004	6.5
106.04181	4.2
107.04960	4.7
107.08574	100.0
108.08914	2.3
109.02876	3.3
109.06460	3.4
109.10139	57.9
110.10487	1.9
111.04398	1.0
111.08060	12.6
119.75640	0.6
121.01622	0.8
121.02847	0.8
121.06496	2.3
121.10123	54.1
122.03652	0.9
122.06006	1.5
122.10458	1.6
123.03506	1.2
123.04409	18.5
123.08030	3.5
123.11698	7.6
124.05229	5.5
125.05943	1.5
125.09607	3.3
126.05500	0.8
134.03606	1.0
137.05980	0.9
139.07538	2.1
149.02327	1.9
149.05965	1.7
149.09608	2.6
149.13232	33.5
150.05453	1.4
150.13528	1.2
151.03917	3.8
152.04654	3.8
167.03378	2.8
167.07010	92.6
167.10609	5.4
167.14284	16.9
168.06316	1.3
168.07443	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	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
53.78867	0.6
55.01863	1.7
55.05505	5.7
56.96298	0.9
56.96557	9.9
57.03428	1.7
57.07047	1.7
59.04973	1.5
65.03908	1.6
67.05494	11.0
68.63601	0.7
69.03415	2.9
69.07054	6.9
70.06567	0.7
70.91675	2.2
71.04980	12.5
72.08144	6.1
73.06557	4.6
74.97586	2.3
75.12802	0.7
78.04704	11.5
78.56626	0.6
79.05479	15.1
79.11530	0.7
81.03403	1.0
81.06599	1.2
81.07045	16.4
83.04975	3.6
83.08586	2.5
85.06518	2.6
91.05476	8.2
93.07031	26.4
94.06538	0.7
94.07385	1.3
95.04967	4.2
95.08595	29.6
96.08128	1.8
97.06530	3.6
98.06020	0.8
99.00222	1.0
99.02824	9.1
99.53033	0.9
103.05460	6.3
104.06236	1.5
105.03395	1.9
105.04523	0.8
105.07026	4.0
106.04153	4.4
107.02532	1.7
107.04954	6.9
107.08578	22.6
108.00726	0.7
108.03345	7.9
108.08119	0.9
109.02875	2.8
109.06516	4.6
109.10139	8.9
110.06072	0.7
110.53618	1.0
111.04418	1.9
111.08082	4.1
112.01740	1.1
117.61179	0.7
121.02241	4.4
121.06480	3.0
121.08419	2.7
121.10134	18.9
122.03625	1.1
122.05988	1.6
122.09634	0.9
123.04418	22.7
123.08022	1.9
123.11713	3.6
124.05217	7.6
125.05943	2.5
125.09614	3.5
126.05487	0.8
130.02814	1.6
131.04889	1.8
131.08498	1.2
134.03629	1.8
135.04337	1.4
137.05948	0.9
139.07553	1.7
139.11143	1.9
140.07034	1.2
149.02335	2.4
149.05978	1.6
149.09615	5.3
149.13246	10.6
150.05507	2.1
150.12735	1.7
151.03857	4.3
152.04663	5.4
161.56758	0.7
167.03377	2.3
167.07021	100.0
167.10576	5.9
167.14230	5.8
168.06300	1.4
168.07408	3.5
168.10188	1.0
177.02245	1.2
178.98610	1.1
179.03725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
53.78867	0.6
55.01863	1.7
55.05505	5.7
56.96298	0.9
56.96557	9.9
57.03428	1.7
57.07047	1.7
59.04973	1.5
65.03908	1.6
67.05494	11.0
68.63601	0.7
69.03415	2.9
69.07054	6.9
70.06567	0.7
70.91675	2.2
71.04980	12.5
72.08144	6.1
73.06557	4.6
74.97586	2.3
75.12802	0.7
78.04704	11.5
78.56626	0.6
79.05479	15.1
79.11530	0.7
81.03403	1.0
81.06599	1.2
81.07045	16.4
83.04975	3.6
83.08586	2.5
85.06518	2.6
91.05476	8.2
93.07031	26.4
94.06538	0.7
94.07385	1.3
95.04967	4.2
95.08595	29.6
96.08128	1.8
97.06530	3.6
98.06020	0.8
99.00222	1.0
99.02824	9.1
99.53033	0.9
103.05460	6.3
104.06236	1.5
105.03395	1.9
105.04523	0.8
105.07026	4.0
106.04153	4.4
107.02532	1.7
107.04954	6.9
107.08578	22.6
108.00726	0.7
108.03345	7.9
108.08119	0.9
109.02875	2.8
109.06516	4.6
109.10139	8.9
110.06072	0.7
110.53618	1.0
111.04418	1.9
111.08082	4.1
112.01740	1.1
117.61179	0.7
121.02241	4.4
121.06480	3.0
121.08419	2.7
121.10134	18.9
122.03625	1.1
122.05988	1.6
122.09634	0.9
123.04418	22.7
123.08022	1.9
123.11713	3.6
124.05217	7.6
125.05943	2.5
125.09614	3.5
126.05487	0.8
130.02814	1.6
131.04889	1.8
131.08498	1.2
134.03629	1.8
135.04337	1.4
137.05948	0.9
139.07553	1.7
139.11143	1.9
140.07034	1.2
149.02335	2.4
149.05978	1.6
149.09615	5.3
149.13246	10.6
150.05507	2.1
150.12735	1.7
151.03857	4.3
152.04663	5.4
161.56758	0.7
167.03377	2.3
167.07021	100.0
167.10576	5.9
167.14230	5.8
168.06300	1.4
168.07408	3.5
168.10188	1.0
177.02245	1.2
178.98610	1.1
179.03725	1.0
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
51.02361	0.2
52.03139	0.3
53.03925	0.7
65.03933	0.4
66.04710	0.5
66.45268	0.2
67.05505	0.5
69.03419	0.3
70.06586	0.2
70.08932	1.4
78.04700	11.7
79.05055	0.4
79.05479	2.2
79.36243	0.3
81.03394	0.5
81.07024	0.9
83.04966	0.4
85.02886	0.2
91.05433	0.5
93.03391	0.5
93.07030	1.0
94.04172	0.6
94.69781	0.2
95.04950	2.3
95.08595	0.2
96.05723	0.6
105.03352	1.0
106.04157	4.5
107.04976	1.5
107.08556	0.9
109.02849	0.8
109.06509	0.4
111.08105	0.3
120.02081	0.3
121.02859	0.3
121.10116	0.6
122.03600	1.2
123.04414	19.4
124.05212	5.7
134.03612	1.0
135.04356	0.7
135.05537	0.2
137.02310	0.4
137.05940	0.7
149.09525	0.3
151.03879	3.9
152.04662	4.6
167.07013	100.0
168.04210	0.4
168.06354	0.2
168.07399	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03940	1.3
55.01863	1.4
55.05495	3.2
56.96553	6.4
57.03436	2.2
57.07060	1.8
59.04983	2.2
60.14406	0.4
65.03925	1.2
67.05498	6.6
69.03415	2.0
69.07061	2.8
70.06590	0.4
71.04964	1.0
73.02901	1.5
74.97601	1.0
75.04463	0.6
77.03908	0.5
78.04696	5.3
79.05479	20.3
81.03418	1.2
81.07043	29.2
83.04972	2.6
83.08605	1.0
85.06502	1.0
87.04453	0.5
91.05463	8.6
93.07028	45.1
94.07390	1.5
95.04955	3.6
95.08582	12.1
96.05762	0.5
97.06505	4.9
97.10159	0.6
97.99170	0.5
98.02042	0.5
99.00237	0.8
99.02799	4.1
103.05453	4.7
105.07010	10.0
106.04156	2.4
107.02543	0.9
107.04951	4.7
107.08578	13.2
107.09312	0.7
108.03345	3.6
109.02866	1.5
109.06499	5.6
109.10155	1.4
110.53633	0.4
111.04424	2.6
111.08061	2.5
112.01839	0.5
115.37656	0.4
119.08570	2.0
121.02294	1.4
121.06532	3.0
121.10123	100.0
121.52453	0.5
122.03654	0.5
122.10445	4.3
123.03513	0.5
123.04413	10.5
123.08051	3.1
123.11695	11.4
124.05216	3.2
125.05968	8.3
125.09599	1.4
128.85405	0.5
130.02803	0.7
131.04913	1.2
131.08551	4.1
132.53094	0.6
133.07559	0.7
135.04422	0.9
137.05933	0.5
139.07503	0.7
139.11147	11.2
149.02336	0.6
149.05936	1.0
149.09596	14.1
149.13268	1.3
150.05443	1.0
150.09929	0.5
151.03877	2.2
152.04663	2.7
152.32491	0.5
167.03340	1.2
167.07019	50.5
167.10652	16.8
167.14261	1.1
168.07536	2.2
178.98643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1064
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03939	2.8
53.04168	0.4
55.01860	2.0
55.05500	12.6
57.03424	1.9
57.07061	1.8
57.51386	0.5
59.04989	3.4
65.03921	0.9
67.05487	6.6
67.93542	0.5
69.03424	4.3
69.07053	40.3
70.06577	0.6
71.04977	1.6
75.04476	0.5
78.04692	9.7
78.05103	0.8
79.05476	19.2
81.03408	1.5
81.07041	14.0
83.04978	3.8
83.08596	3.5
85.02882	0.7
91.05455	13.2
92.48418	0.5
93.03367	1.3
93.07024	75.9
94.04192	0.8
94.07350	1.6
95.04939	6.1
95.08585	12.9
95.09183	0.9
96.04488	0.7
96.05732	0.9
97.02816	0.8
97.06516	6.0
97.10162	1.5
98.06059	0.8
98.09678	0.6
98.21487	0.9
100.11230	0.9
103.05458	1.7
105.03384	0.8
105.07005	16.1
106.04134	3.5
106.07868	1.0
107.04971	4.3
107.08571	10.3
109.02869	3.1
109.06483	3.0
109.10141	2.2
111.04417	2.0
111.08071	2.8
111.11691	8.4
119.08568	3.3
121.02875	1.7
121.06494	2.8
121.10119	100.0
122.03621	1.2
122.06046	0.9
122.10448	2.4
123.04412	16.7
123.08041	7.5
123.11680	1.6
124.05202	6.9
125.05972	1.6
125.09626	2.3
126.05493	0.9
127.03874	0.9
131.08554	1.5
133.07599	1.4
134.03629	1.1
135.04358	1.3
137.05919	1.0
139.07559	2.6
139.08517	0.8
139.11168	4.9
143.96669	0.6
149.02324	3.0
149.04825	0.6
149.05960	1.3
149.09590	17.5
149.13240	1.7
150.05472	2.2
151.03862	3.1
152.04692	4.4
167.03368	2.4
167.07007	85.0
167.08115	3.2
167.10643	48.3
167.14262	4.0
168.06435	1.5
168.07610	0.9
168.11125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.23782	0.2
52.03159	0.4
53.03923	0.4
62.51171	0.2
65.03938	0.3
66.04700	0.5
67.05470	0.7
68.02641	0.3
69.03415	0.3
70.06564	0.8
71.47245	0.4
78.04699	9.9
79.05071	0.3
79.05487	2.7
81.03395	0.4
81.07042	0.7
81.93069	0.2
82.04156	0.2
83.04983	0.2
90.74839	0.2
91.05463	0.6
93.03375	0.5
93.07014	0.5
94.04155	0.6
95.04953	1.7
96.05736	0.8
105.03388	0.8
106.04163	4.8
107.04995	1.2
107.08517	0.2
109.02858	1.0
109.06493	0.5
111.08060	0.3
112.13557	0.3
117.30892	0.2
120.02054	0.3
121.02853	0.3
121.10123	0.5
122.03635	1.4
123.04413	20.5
124.05225	5.7
134.03603	1.1
135.04395	0.3
137.02319	0.5
137.05890	1.2
139.07533	0.6
151.03888	3.9
152.04668	4.7
167.07014	100.0
168.04173	0.6
168.07396	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	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03923	0.7
65.03922	0.3
66.04713	0.4
67.05472	0.3
69.03371	0.3
70.12315	1.0
77.03908	0.2
78.04698	12.0
79.05487	2.6
81.03405	0.2
81.07031	0.7
88.17142	0.2
90.27370	0.2
91.05473	0.5
93.03379	0.3
93.07003	0.5
94.04150	0.4
95.04947	1.7
96.05726	0.9
98.18314	0.2
98.21358	0.3
105.03383	0.6
105.04477	0.3
106.04155	5.3
107.04930	1.1
109.02847	0.9
109.06481	0.4
121.02889	1.2
121.06541	0.3
121.67027	0.2
122.03634	1.2
123.04412	19.4
124.05221	6.2
134.03624	1.4
135.04404	0.4
137.05904	1.1
138.26532	0.2
139.07475	0.3
149.02344	0.5
149.05978	0.4
151.03877	3.9
152.04660	5.2
153.05031	0.3
167.07013	100.0
168.04172	0.5
168.07365	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.59758	0.3
52.03144	0.4
53.03927	0.8
55.05502	2.7
59.04974	0.4
65.03918	0.4
66.04700	0.6
67.05483	0.7
69.03413	0.8
69.07057	0.3
70.06580	4.6
71.05202	0.4
78.04699	10.9
79.05048	0.4
79.05473	2.6
80.23422	0.2
81.03432	0.6
81.07046	1.1
83.04977	2.3
83.08596	1.3
85.02887	0.4
91.05464	1.0
91.11803	0.3
91.63254	0.3
93.03378	0.3
93.07026	1.1
94.04189	0.5
95.04956	2.4
95.08633	0.5
96.05743	0.5
97.10165	0.5
105.03362	0.9
105.07012	0.3
106.04162	4.9
107.04945	1.3
107.08559	2.2
107.58902	0.3
109.02876	1.2
109.06490	0.4
109.10141	0.8
110.03667	0.3
110.68185	0.3
111.08064	1.1
111.73019	0.3
120.02136	0.3
121.01616	0.3
121.10125	1.7
122.03616	1.2
123.04416	21.1
124.05213	5.8
125.09588	0.4
134.03595	1.4
135.04385	1.0
137.02361	0.5
137.05930	0.8
139.07535	0.4
149.02359	0.3
149.09599	0.5
151.03893	4.6
152.04657	4.4
167.07018	100.0
167.14258	2.1
168.04150	0.6
168.06342	0.3
168.07414	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	166.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.7
56.05025	1.6
67.05490	2.3
67.89493	0.5
68.05010	2.8
69.03415	28.6
69.07060	1.7
70.03743	0.5
70.06577	18.4
71.04990	0.6
71.34065	0.9
78.04697	0.7
79.05474	10.0
80.04990	0.5
81.03440	0.5
81.07040	42.5
82.06588	0.5
82.07365	1.0
83.05018	0.5
83.08613	1.0
84.04498	2.4
84.08134	1.4
86.06051	34.0
87.06378	0.6
91.05463	0.6
93.07035	1.5
94.06564	1.7
95.04961	1.0
95.08557	0.5
96.08112	22.0
97.06522	0.5
97.08481	0.5
98.06036	100.0
98.09695	1.6
98.93660	0.4
99.06387	1.8
110.09662	0.4
112.07585	19.9
120.05254	0.6
120.08096	4.4
121.06474	0.8
121.10125	0.8
123.04413	1.0
124.07569	71.3
125.07941	1.5
142.96646	0.8
148.04724	1.8
148.11185	1.1
149.09598	0.7
152.04694	0.6
166.04956	1.8
166.08540	3.0
166.12236	22.1
167.07019	5.0
167.10677	0.6
167.12631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03934	1.1
55.01866	3.5
55.05514	1.1
57.03427	1.3
65.03918	1.1
67.05501	2.5
69.03410	1.9
69.07043	0.8
69.60519	0.5
70.35062	1.0
70.35451	1.2
71.04984	0.5
77.03922	0.5
79.05482	12.6
79.51720	0.4
81.03413	3.2
81.07044	6.6
83.04966	1.1
91.05459	11.2
93.07025	2.8
94.04176	1.9
95.04948	8.4
95.08595	4.1
103.05455	7.7
105.03376	0.7
105.07013	79.5
106.07338	2.3
107.04922	1.9
107.08571	3.5
109.02859	21.3
109.03616	1.1
109.06496	7.0
109.10149	2.2
111.04415	1.0
115.05436	1.6
119.01899	2.1
119.04929	15.4
119.08549	3.9
120.05235	0.9
120.08112	2.4
121.10120	2.3
122.03655	3.3
123.04388	1.6
123.08040	2.1
123.11684	1.4
124.05190	100.0
125.05489	2.7
131.04881	1.1
133.02834	3.7
133.06468	40.0
134.06767	1.0
137.05956	68.1
137.09583	1.9
138.06319	1.8
142.03459	1.9
142.96675	0.7
147.04382	35.6
147.08029	1.3
147.11665	3.3
148.04741	1.2
150.06670	0.7
160.04539	1.1
165.01765	0.7
165.04335	0.8
165.05446	3.6
165.06743	0.7
165.09085	19.5
165.12743	5.7
166.04993	1.4
166.08556	0.9
169.36787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02359	0.5
53.03941	1.5
55.01865	3.4
55.05505	0.8
57.03425	0.5
62.36494	0.4
65.03944	1.2
65.16689	0.5
67.05498	1.5
68.31099	0.4
69.03418	1.2
69.07060	0.6
71.04998	1.1
71.07658	1.3
77.03941	0.7
79.05479	15.6
81.03416	0.8
81.07054	2.7
83.04977	0.7
84.59914	0.4
91.05464	14.3
93.07027	1.3
94.04165	1.5
94.09212	0.5
95.04957	4.4
95.08600	1.5
101.00851	0.7
103.05452	7.9
105.07016	90.2
106.04851	0.5
106.07331	2.8
107.04940	1.2
107.08581	1.8
108.04462	0.6
109.02856	1.0
109.06510	5.5
109.10145	1.5
111.04445	1.4
117.06991	0.7
119.01910	4.6
119.04927	20.4
119.08566	4.6
120.05274	0.7
120.08089	3.4
121.10132	1.1
122.03625	4.6
123.04443	1.6
123.08064	1.5
124.03970	0.7
124.05193	3.8
133.02876	2.2
133.06471	76.0
134.06763	2.7
135.04433	0.5
137.03003	1.5
137.05959	100.0
137.09586	2.2
138.05399	0.5
138.06288	2.7
142.03500	3.6
147.04388	49.4
147.08041	1.8
147.11647	1.2
148.04749	1.8
148.07570	0.7
150.06758	1.3
151.07495	2.0
160.04552	1.5
165.01785	0.9
165.05504	4.6
165.09091	42.5
165.12720	1.5
166.04959	1.5
166.08449	0.8
166.09628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44960	0.2
53.03922	0.3
55.01863	0.3
55.05500	0.4
57.03424	0.4
59.99784	0.2
65.03924	0.9
66.89397	0.3
67.05487	0.9
69.03424	1.6
69.07059	0.3
71.79147	0.5
79.05476	0.9
81.03384	0.4
81.07041	1.2
83.04974	0.5
83.93042	0.6
85.02905	0.7
91.05466	18.0
92.05805	0.8
93.07037	0.5
95.04945	3.2
95.08599	1.0
100.02493	0.3
101.00846	0.7
103.05503	0.3
105.07014	0.7
107.08556	0.5
109.06499	1.0
109.10149	0.9
119.01913	6.7
119.04921	42.7
119.08572	1.3
120.01968	0.4
120.04506	0.3
120.05252	1.1
120.08093	2.0
121.06549	0.4
121.10119	0.3
123.04423	1.9
123.08068	0.6
123.11696	0.3
124.03885	0.3
136.07597	0.4
137.02943	3.4
137.05959	1.2
137.09570	0.6
138.03014	0.3
138.05542	0.3
142.03470	5.4
142.96689	2.9
143.03600	0.3
147.04382	100.0
147.11586	0.6
148.03726	0.4
148.04753	4.3
160.04518	2.2
165.01866	0.4
165.05446	3.2
165.09064	2.2
165.12701	2.0
165.98250	0.7
166.05022	1.0
166.08562	1.4
183.06114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02376	0.2
52.01715	0.2
53.03932	0.3
55.01867	0.2
55.05494	0.4
57.03423	0.3
59.04993	0.2
61.02905	0.3
63.02353	0.2
65.03933	0.8
67.05488	0.9
69.03415	1.5
69.07071	0.3
69.64622	1.1
69.65043	0.5
72.70065	0.2
79.05466	0.6
80.04990	0.2
81.03421	0.5
81.07038	0.9
83.04961	0.5
83.66761	0.2
83.93017	0.5
85.02883	0.4
91.05464	17.9
92.05812	0.4
93.07032	0.7
95.04956	4.8
95.08588	0.6
100.20753	0.2
101.00856	0.5
101.02590	0.2
101.15408	0.2
105.07003	0.9
107.08555	0.4
109.06492	0.7
109.10149	0.6
119.01909	5.5
119.04921	38.1
119.08566	1.3
119.95128	0.4
120.02058	0.2
120.05235	1.3
120.08083	1.5
123.03509	0.3
123.04410	6.2
123.08071	0.5
124.02412	0.2
133.02844	0.4
137.02939	2.6
137.05943	0.9
137.06886	0.2
137.09627	0.5
138.05461	0.6
138.09117	0.2
142.03482	5.4
142.96674	2.4
143.03629	0.3
147.04382	100.0
148.04741	3.9
160.04518	2.1
165.01788	0.4
165.05434	3.2
165.09077	1.5
165.10294	0.4
165.12718	1.8
165.98259	0.5
166.05002	0.9
166.08568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.14629	0.2
55.05503	0.3
60.30362	0.2
65.03927	1.0
67.05479	0.6
69.03412	0.8
70.96996	0.6
72.95580	0.2
79.05487	0.4
81.07053	0.9
83.04995	0.4
83.93020	0.4
85.02875	0.3
91.05467	18.0
92.05820	0.7
93.07038	0.4
95.04958	2.8
95.08575	0.6
96.97657	0.2
101.00832	0.3
103.05471	0.4
105.07027	0.4
107.08604	0.4
107.27882	0.2
109.06511	0.6
109.10118	0.5
114.64056	0.2
119.01920	4.0
119.04926	39.7
119.08540	0.9
120.05266	1.5
120.08097	1.3
123.04408	3.6
123.08075	0.4
133.02812	0.5
137.02959	1.4
137.05933	0.4
137.09567	0.4
142.03490	2.9
142.96695	1.7
147.04385	100.0
147.11684	0.5
148.04745	4.1
160.04556	1.3
165.01747	0.3
165.05484	2.5
165.09065	1.4
165.12721	1.1
165.98286	0.4
166.04938	0.5
166.08600	0.7
179.54475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02364	0.2
58.01857	0.1
58.52175	0.1
65.03900	0.8
66.24724	0.1
69.03416	0.2
69.85081	0.7
69.85499	0.2
81.07051	0.3
85.02882	0.3
91.05466	17.0
92.05809	0.5
95.04955	2.0
103.05439	0.3
109.06528	0.2
119.04922	40.6
120.05235	1.5
120.08111	0.2
123.04417	2.2
123.08090	0.2
137.05948	0.2
142.03439	0.2
142.96642	0.3
147.04385	100.0
148.04724	4.2
153.21208	0.1
165.05463	2.0
165.09026	0.2
165.12674	0.3
166.08528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31043	0.2
55.01870	0.3
61.02898	0.2
65.03930	0.8
67.05486	0.6
69.03413	1.0
69.07063	0.2
69.46479	0.9
69.46900	1.5
70.14824	0.2
71.04942	0.2
75.89046	0.2
79.05467	0.4
81.03416	0.4
81.07040	0.8
83.04968	0.6
83.93035	0.4
85.02888	0.4
91.05466	16.7
92.05784	0.6
93.07027	0.6
95.04956	3.2
95.08595	0.8
96.59395	0.2
101.00858	0.5
103.05457	0.4
105.07012	0.5
107.04974	0.3
107.08574	0.5
109.06522	0.6
109.10143	0.7
111.18359	0.2
119.01929	3.4
119.04923	38.6
119.08562	0.8
119.95174	0.2
120.05245	1.5
120.08083	1.2
121.06499	0.4
121.10107	0.3
122.07257	0.2
123.04440	2.5
123.08086	0.5
124.03980	0.2
133.02843	0.4
137.02962	2.1
137.05927	0.7
137.09549	0.7
142.03467	3.4
142.96669	1.9
143.03548	0.3
147.04385	100.0
147.11641	0.5
148.04739	4.0
160.04526	1.5
165.05484	2.7
165.09079	1.8
165.11432	0.3
165.12718	1.5
165.98308	0.5
166.04974	0.8
166.08589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0542
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.35823	0.2
55.34606	0.2
65.03931	0.7
67.05490	0.4
67.53503	0.2
69.03419	0.7
69.71905	0.7
69.72343	0.8
72.58971	0.2
73.26120	0.2
75.26614	0.2
79.05479	0.3
81.07034	0.5
83.93049	0.3
85.02903	0.2
91.05466	18.6
92.05795	0.6
93.07026	0.3
95.04958	2.2
95.08590	0.5
101.00896	0.5
103.05420	0.2
105.07001	0.3
109.06507	0.4
109.10183	0.3
119.01920	2.9
119.04926	40.7
119.08566	0.5
120.04556	0.2
120.05254	1.3
120.08092	0.6
123.04417	1.8
124.96677	0.2
133.02788	0.4
137.02936	1.4
137.05925	0.2
137.09554	0.3
142.03477	4.1
142.96690	1.4
143.03603	0.2
147.04387	100.0
148.04730	4.0
148.07587	0.2
151.54816	0.2
160.04526	1.8
161.04668	0.2
165.05428	2.8
165.09076	0.6
165.12762	0.7
165.98241	0.3
166.04997	0.5
166.08618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.88466	0.4
56.96559	2.7
57.03411	1.7
58.99862	0.6
61.02919	1.6
67.51010	0.5
69.03419	0.8
71.39251	1.1
71.39599	0.5
78.52946	0.7
81.03413	0.6
82.01421	0.8
82.99803	1.3
85.02872	0.7
91.05460	0.5
97.14725	0.4
98.97563	0.9
100.02480	4.0
101.00864	22.8
101.02502	1.0
102.00948	0.5
103.04608	0.5
104.49902	0.6
108.88880	0.4
110.02131	0.9
114.04015	0.8
114.09145	0.6
115.02474	0.6
118.03500	1.4
119.01902	100.0
120.01993	4.2
121.02384	0.5
124.02451	4.3
129.02867	0.5
132.05032	1.0
132.39366	0.4
133.02490	0.6
133.03461	1.0
137.02936	30.9
138.03049	1.3
142.03481	75.6
143.03621	3.0
147.04402	0.9
160.04533	24.0
161.02974	1.0
161.04611	1.1
165.05110	2.2
172.99152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37123	0.3
54.75364	0.4
56.89032	0.3
56.96554	1.3
57.03418	1.0
57.21448	0.3
58.99850	0.7
61.02914	0.6
70.99841	0.6
71.30604	0.8
77.00890	0.6
81.03419	0.3
82.01430	0.5
82.99834	1.1
85.02891	0.7
89.00851	0.5
100.02475	1.7
101.00866	21.3
101.02505	0.7
102.00935	0.5
102.02221	0.6
113.21730	0.4
115.02402	0.4
118.03522	0.8
119.01907	100.0
120.01978	3.9
121.01576	0.4
121.02384	0.3
122.96873	0.3
124.02420	5.5
133.03392	0.5
137.02942	28.9
138.03067	1.0
142.03487	82.2
143.03593	3.7
160.04546	24.4
161.03000	0.5
161.04710	1.5
165.05067	3.1
183.06149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1068
Annotation	Dihydroabikoviromycin
Peak:m/z	Relative Intensity
57.03426	69.9
58.03758	1.1
67.47914	0.6
71.43002	0.5
77.85484	0.4
79.05499	1.1
80.05007	1.3
81.07040	1.2
82.49134	0.5
86.88600	0.5
90.04219	0.9
91.05460	4.1
93.07023	0.8
95.04966	1.1
95.08593	0.7
100.02470	1.1
103.05460	0.9
104.05775	3.0
105.06992	1.2
106.06544	1.1
107.08611	1.1
108.08100	100.0
109.08414	2.6
109.10106	0.8
118.03529	0.9
119.01925	0.6
119.04946	3.8
119.08562	1.2
121.10104	0.8
122.10479	0.6
131.04860	0.8
132.05246	4.1
133.02754	0.9
133.06491	0.6
136.04688	1.3
136.07555	1.6
136.08469	0.6
137.05940	1.1
140.43488	0.5
146.03096	0.6
147.03276	1.0
147.04384	11.5
164.04370	3.2
164.06923	1.2
164.10683	55.4
165.05475	1.0
165.09062	0.8
165.10999	1.7
165.12717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1478
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03933	5.3
55.05499	9.5
57.03413	0.9
57.07053	1.7
65.03913	2.2
67.05167	1.2
67.05495	11.8
69.03407	1.0
69.07056	15.4
70.88455	0.9
71.02484	0.7
73.02888	0.9
77.03908	0.9
78.67465	0.7
79.05479	30.8
80.04950	1.1
81.07040	56.7
83.08158	1.3
83.08606	16.0
85.02863	0.8
89.03900	14.9
89.82246	0.7
90.04202	1.0
91.05465	9.9
92.02611	1.8
93.06423	1.6
93.07027	44.6
95.04947	7.5
95.08588	56.9
96.08966	1.0
96.19566	0.7
97.10121	1.1
100.02451	1.0
103.05447	9.6
105.03360	2.8
105.04487	1.9
105.07003	5.2
105.43075	0.8
106.06525	0.9
107.04955	4.8
107.08572	95.5
108.08876	3.8
109.06479	2.7
109.10115	1.9
111.86034	0.8
114.90300	0.8
117.03347	10.8
117.06969	2.5
118.03536	2.2
119.08506	1.2
120.08110	1.2
121.06485	2.1
121.10120	33.1
122.10401	1.0
130.06544	1.7
130.07784	0.9
131.04916	13.2
131.41318	0.8
132.05252	1.1
132.08086	2.8
133.02829	12.7
135.04396	38.6
135.07979	1.4
135.11671	12.3
136.04689	1.7
145.02823	9.8
145.06502	1.2
145.10091	1.9
163.03873	92.6
163.07492	4.5
163.11180	5.6
163.12430	2.4
163.14786	100.0
164.04315	5.4
164.07062	2.0
164.15163	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	163.1479
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
50.44875	0.8
53.03935	4.5
55.01856	1.5
55.05500	5.8
55.96074	0.6
55.96393	0.6
57.07059	2.1
67.05494	3.5
69.03430	1.8
69.07056	23.3
69.65339	0.6
70.07385	0.8
70.38129	1.6
70.38528	0.9
71.53869	0.7
75.02739	0.6
77.03912	0.6
78.70315	0.5
79.05479	17.8
81.03391	1.0
81.07040	21.6
82.07378	0.9
83.08606	4.9
85.02910	0.9
89.03911	1.3
89.06022	1.3
91.05461	10.3
92.02628	1.3
93.07025	33.5
94.07359	1.3
95.04949	10.5
95.08592	18.6
96.08896	0.8
100.02474	2.1
103.05453	6.7
105.03374	7.6
105.04512	1.7
105.07011	7.4
106.06503	1.3
107.04941	2.8
107.08574	100.0
108.08209	0.9
108.08891	4.4
109.06484	2.9
109.10164	0.8
115.05270	0.6
115.09480	0.9
117.03358	1.0
117.05737	1.1
117.07008	1.3
118.03487	1.2
119.06056	1.0
119.08582	3.8
119.09300	0.7
120.08084	0.7
121.06492	4.8
121.10120	30.1
122.10420	1.0
130.06511	2.6
130.07771	1.1
131.04907	8.6
132.08054	3.9
133.02832	16.0
133.06445	0.7
134.03169	1.1
135.04393	14.6
135.08031	1.7
135.11671	16.0
136.07526	1.0
138.03139	0.7
145.02850	1.1
145.03900	0.7
145.06490	1.1
145.10114	4.5
148.08794	1.9
163.03880	74.2
163.07509	3.8
163.11156	36.6
163.12358	4.5
163.14790	72.9
164.04379	4.4
164.05432	0.8
164.07057	2.7
164.11472	2.8
164.15178	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
55.01855	1.0
55.05501	7.9
57.03410	1.0
57.07055	2.3
63.41350	0.7
67.05494	9.7
69.03409	2.0
69.07060	11.6
69.66183	0.8
71.52233	0.6
71.79569	0.7
73.02920	1.2
77.03912	0.8
79.05479	22.7
80.04982	0.7
80.05806	0.9
81.03406	1.7
81.07043	41.5
82.07396	0.8
83.08603	13.3
85.02892	2.8
86.39347	0.7
89.03895	2.8
89.06030	1.7
91.05460	7.1
92.02604	2.4
93.07031	28.0
95.04957	12.4
95.08591	53.7
96.08919	1.8
99.04434	1.4
100.02463	1.9
103.05449	14.3
105.03400	3.9
105.04493	2.4
105.07020	5.0
106.06547	1.7
107.04955	4.9
107.08575	57.1
108.08157	0.7
108.08881	1.3
109.06525	1.6
109.10133	1.9
110.05965	0.6
115.03947	0.8
115.05453	1.0
115.09524	1.0
117.03331	2.1
117.05708	1.2
117.07010	4.2
118.03496	1.2
118.06526	1.0
119.01800	0.7
119.04836	0.9
119.08533	2.8
120.08073	1.3
121.06480	3.4
121.10128	27.3
122.10463	0.8
130.06505	3.2
131.04912	17.0
132.05252	1.2
132.08078	4.2
133.02832	22.0
134.03130	1.5
135.04391	26.4
135.08022	2.6
135.11667	9.3
136.04709	1.5
136.07611	1.0
145.02824	2.1
145.06487	1.2
145.10141	4.1
161.13190	0.7
163.03879	100.0
163.07506	6.8
163.11174	6.7
163.12367	3.7
163.14790	68.4
164.04327	5.8
164.07056	2.7
164.10635	1.8
164.15158	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02365	0.7
52.04700	0.5
53.03938	2.6
55.01868	3.6
55.05506	2.7
57.03431	0.8
57.07076	0.7
61.02905	0.6
63.02358	1.1
65.03941	1.4
67.05495	4.3
69.03414	2.2
69.07066	1.0
69.81161	3.8
71.04984	0.5
77.03934	1.2
78.03144	0.5
79.05487	19.6
80.05815	0.6
81.03408	0.6
81.07046	22.9
83.04975	0.6
85.02899	1.6
89.03908	38.3
89.06030	0.9
90.04223	1.1
91.05477	8.5
93.03391	0.9
93.07034	26.0
95.04952	8.6
95.08580	1.6
97.02885	1.0
97.06500	0.7
99.04437	0.6
101.09603	0.6
101.21410	0.6
103.05455	80.4
104.05751	2.6
105.03377	1.1
105.04516	0.8
105.07024	9.7
107.04950	15.3
107.08581	12.5
107.09307	0.6
108.05291	0.9
109.06522	6.7
112.61160	0.5
115.05446	1.5
117.03366	33.6
117.07008	6.7
118.03690	1.6
118.06538	0.7
119.04850	0.7
119.08569	13.0
120.05772	0.7
120.08128	0.6
121.06480	3.9
121.10127	29.2
122.10452	1.4
123.08002	1.0
127.07527	6.8
130.06560	1.1
130.07753	3.7
131.04912	100.0
132.05209	3.4
132.08104	0.8
133.02901	2.9
133.06488	1.2
135.04399	73.4
135.08017	8.5
135.11681	4.4
136.04753	3.0
136.07481	1.1
143.08524	1.4
145.02835	35.0
145.03851	1.5
145.06451	1.2
145.10104	37.4
146.03163	1.5
148.05193	0.6
148.08784	1.1
158.05962	0.7
163.03886	91.0
163.07521	28.7
163.11160	51.8
163.14787	1.5
164.04303	3.3
164.07065	2.5
164.11530	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	163.0751
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02359	0.3
53.03952	0.6
55.05496	0.3
57.07061	0.3
58.60339	0.3
61.16026	0.3
62.34158	0.2
65.03943	0.3
67.05494	0.3
69.03420	0.5
69.07071	0.5
69.60541	1.6
69.60962	1.0
77.03921	0.5
79.05489	1.8
81.03387	0.3
81.07039	0.3
84.84309	0.2
85.02923	0.3
89.03903	5.6
90.04178	0.3
91.05473	1.0
93.07020	1.4
95.04952	1.1
95.08585	0.6
97.58738	0.3
102.04649	0.3
103.05453	69.1
103.12814	0.3
104.05798	2.5
105.07020	0.8
107.04941	2.8
107.08567	2.5
117.03360	5.0
117.07015	0.7
119.08562	0.6
121.06510	0.6
121.10129	1.3
130.06430	0.3
131.04909	100.0
132.05237	3.6
132.08028	0.5
133.02820	0.7
135.04391	10.7
135.08014	0.7
135.11650	0.9
136.04735	0.4
145.02834	4.3
145.03931	0.5
145.10130	0.6
148.05165	0.4
163.03888	15.1
163.07516	55.8
163.11116	2.8
163.14784	1.1
164.04330	0.7
164.07947	2.3
182.30484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02390	0.3
53.03932	1.4
54.39566	0.3
55.01855	0.7
55.05499	0.8
55.18808	0.3
57.03440	0.5
57.07064	0.7
57.66097	0.3
65.03915	0.5
67.05475	0.6
69.03425	1.5
69.07055	1.2
69.93703	0.3
71.79541	0.4
74.82511	0.3
77.03915	0.5
79.05485	6.1
81.07047	2.6
83.04988	0.3
83.08607	0.7
85.02891	1.3
89.03905	13.5
89.06015	0.9
90.04234	0.4
91.05470	2.1
92.02639	0.3
93.07027	3.3
95.04957	2.7
95.08591	1.3
99.04440	0.6
100.02462	0.4
103.05453	70.4
104.05782	2.7
105.03389	0.8
105.04516	0.4
105.07016	1.4
106.06554	0.5
107.04939	6.1
107.08569	7.6
114.66682	0.3
115.05440	0.5
117.03362	11.4
117.07018	1.2
118.03668	0.8
118.06541	0.3
119.04966	0.4
119.08585	0.9
121.06501	1.6
121.10136	3.5
127.03914	0.4
130.06505	0.6
130.07732	0.5
131.04913	100.0
132.05228	3.3
132.08069	1.2
133.02827	1.9
135.04398	26.7
135.07965	1.4
135.11664	2.0
136.04723	0.8
136.07526	0.5
145.02838	11.3
145.03859	0.5
145.04890	0.5
145.06482	0.9
145.10104	2.3
146.03180	0.3
148.05193	0.5
163.02472	0.8
163.03889	38.1
163.07523	49.9
163.11151	7.2
163.12282	0.8
163.14803	3.1
164.04366	1.7
164.07874	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02381	0.4
53.03935	1.6
62.20416	0.4
63.02362	0.9
69.03424	0.6
70.34401	0.7
70.34798	1.1
75.33926	0.5
79.05485	8.5
80.05766	0.5
81.03401	0.7
89.03903	44.0
90.04228	1.2
91.05463	1.5
92.02615	0.4
93.07013	0.6
95.04929	3.4
103.05454	16.2
105.04469	0.6
105.07047	0.7
107.04932	12.4
107.05652	0.7
107.08586	1.5
115.05464	0.9
115.09500	0.4
117.03360	40.0
117.06980	1.2
118.03716	1.1
119.06848	1.1
119.08585	0.5
119.83308	0.5
121.06441	0.7
121.10149	0.6
130.07848	0.4
131.04907	20.2
132.05235	0.4
133.02827	2.2
135.04390	80.2
136.04684	2.0
136.07539	0.4
145.02826	40.5
145.10051	0.4
146.03165	0.8
147.08980	0.4
158.05992	0.5
162.91412	0.5
163.03876	100.0
163.07509	10.6
163.11147	1.6
163.14771	0.6
164.04269	2.2
164.06993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	1.9
55.01855	0.3
55.05517	0.8
57.07064	1.0
61.65621	0.4
61.93506	0.3
63.02376	1.1
65.03929	0.6
67.05473	0.4
68.76026	0.3
69.03419	1.2
69.07064	1.0
71.14803	1.0
77.03893	0.6
79.05483	10.1
81.03402	0.5
81.07037	2.1
85.02874	0.5
89.03906	46.3
89.06020	0.9
90.04249	0.8
91.05478	2.6
93.07032	3.7
95.04958	4.1
95.08589	1.0
100.78436	0.4
101.84857	0.4
102.04668	0.4
103.05456	32.3
104.05790	0.9
105.04485	0.6
105.07025	1.5
107.04940	12.4
107.08570	5.0
109.23947	0.4
117.03365	38.2
117.07011	1.2
118.03677	1.2
119.04972	0.4
119.08553	0.7
121.06513	1.6
121.10119	2.8
130.06529	0.7
131.04915	42.1
132.05255	0.9
132.08073	1.0
133.02837	2.0
135.04399	81.8
135.07947	1.7
135.11665	1.8
136.04730	1.8
145.02832	38.3
145.08401	1.2
145.10068	2.0
146.03168	1.0
158.06029	0.7
163.03883	100.0
163.07516	13.4
163.11143	5.4
163.12326	1.1
163.14796	2.9
164.04309	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	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72315	0.2
52.24734	0.2
54.98624	0.6
56.96558	12.5
64.00445	0.3
70.08108	1.4
71.95256	1.9
72.67354	0.3
96.50567	0.6
98.97566	100.0
99.97908	0.6
100.02443	0.3
112.53448	0.2
116.98601	89.7
117.98946	0.5
118.03556	0.3
119.01865	0.3
132.49832	0.4
134.99635	51.2
135.99995	0.4
140.00159	2.5
141.50235	0.7
152.99535	0.5
153.00693	6.6
158.01259	2.9
163.57530	0.3
176.02295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.081
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03921	0.4
55.01867	3.8
55.38058	0.3
56.96556	4.6
57.03421	0.6
67.05492	0.6
68.05011	0.9
69.07043	0.4
70.06582	3.7
71.18577	0.7
71.95220	0.6
73.28030	0.4
76.92234	0.4
79.05469	0.4
81.03386	0.8
81.05778	1.3
83.04965	0.5
84.04498	4.5
84.08107	0.5
87.04464	0.6
94.06551	16.7
95.04950	0.6
95.06786	0.3
95.07339	4.8
96.04479	18.4
96.08119	5.4
97.84686	0.4
98.06040	13.8
98.97566	20.9
102.05525	1.4
110.06043	0.4
112.07581	3.5
114.05508	19.4
116.97290	0.6
116.98603	16.9
117.01785	0.4
122.06016	5.8
134.99634	9.2
138.05499	1.6
140.00189	0.6
140.07040	100.0
141.07411	2.2
153.00700	1.3
158.01282	0.3
158.08107	36.5
159.08411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
57.03432	42.2
57.07069	100.0
58.03795	0.6
58.07399	1.3
59.05004	0.8
61.02927	4.6
67.05502	0.8
68.05038	0.7
70.06596	0.7
70.31900	2.5
76.93370	1.5
81.05776	0.9
83.04936	1.2
85.06536	59.8
86.06888	1.1
87.04467	2.1
96.08129	4.2
103.07570	30.0
104.07932	0.8
113.02331	0.8
114.09157	91.9
117.95971	1.3
131.08588	0.8
135.97023	0.7
138.00920	0.6
141.01826	2.0
142.08624	1.1
155.61967	0.5
159.10158	34.2
159.11583	1.8
160.05159	1.4
160.09660	40.4
170.87471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0967
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
52.06520	0.2
60.47724	0.2
64.05650	0.2
68.05031	0.3
70.06586	0.5
71.49132	0.5
79.05482	0.7
81.05799	1.2
83.04984	1.8
94.06551	0.6
96.08123	3.9
100.01849	0.2
114.09156	100.0
115.09511	1.6
121.34236	0.2
136.21146	0.2
142.08603	1.0
160.09674	49.9
161.10040	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	160.0967
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.05490	0.2
67.05491	0.2
68.05010	0.6
70.06580	0.3
70.57542	0.4
79.05476	0.6
80.05033	0.2
81.05793	1.1
83.04960	1.4
84.08128	0.2
88.03983	0.1
94.06546	0.8
96.07491	0.2
96.08116	4.7
99.63347	0.1
114.09148	100.0
115.09494	2.0
116.04735	0.3
132.54393	0.1
142.08656	0.6
160.09665	45.5
161.10030	1.1
176.71027	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	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78920	0.2
55.05480	0.2
56.96553	0.5
60.00650	0.2
67.05494	0.3
71.24320	0.4
74.19328	0.1
80.52914	0.1
82.99832	0.6
83.04962	0.3
91.05416	0.2
92.52660	0.2
93.07026	0.2
98.97570	0.5
100.02494	0.3
101.00862	13.8
101.95023	0.7
102.00377	0.2
102.00924	1.0
102.96862	0.8
103.00625	0.2
103.02435	1.0
106.78107	0.1
107.05269	1.3
107.05921	0.2
107.55319	0.2
111.04424	1.2
114.09150	0.7
115.08731	0.2
115.09496	3.8
116.05771	3.1
116.55880	0.5
116.98589	0.3
118.03520	0.5
118.56020	0.2
119.01904	100.0
119.96077	0.4
119.98781	0.2
120.01984	8.6
120.97895	1.0
121.01623	1.3
121.02413	0.3
121.03458	0.5
125.02538	0.3
125.06303	0.2
127.56561	0.6
128.06660	0.2
129.04736	0.7
133.03432	0.3
134.99666	0.3
137.02937	43.9
137.97084	0.2
137.99884	0.3
138.03023	3.7
138.05223	0.2
138.98897	0.7
139.02626	0.3
142.03476	3.4
143.01869	0.4
143.02440	0.2
143.03609	4.5
144.03188	1.1
147.04984	0.3
148.72604	0.2
160.04532	0.7
161.02942	6.1
161.04640	1.9
161.09985	2.2
162.03079	0.3
162.04315	0.7
165.06146	0.3
179.03987	8.9
179.05293	0.3
180.04124	0.3
184.04520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Ipsenol
Peak:m/z	Relative Intensity
53.03926	1.0
55.01863	0.6
55.05509	3.5
57.03423	1.9
57.07067	100.0
58.07387	1.7
59.04976	0.8
65.03928	1.0
67.05495	9.9
69.07060	3.1
69.82731	1.2
69.83143	2.1
70.06561	0.6
70.95876	2.3
70.96201	0.4
71.04980	4.2
71.23038	0.4
72.93779	29.1
73.02884	0.6
73.93789	0.6
79.05473	1.8
81.03406	0.6
81.07043	12.3
82.06559	2.0
83.04966	2.3
83.08606	0.7
84.04483	0.5
84.08136	0.5
85.06532	16.3
86.06847	0.5
88.96890	0.6
90.94814	5.7
91.05475	0.8
93.07031	1.3
95.04958	8.7
95.08598	9.6
97.06519	0.7
98.21426	0.7
98.98462	1.2
99.04432	3.3
99.08083	1.5
103.87022	0.4
107.38727	0.4
108.95841	0.9
109.02888	0.5
109.06501	4.0
109.10146	7.7
110.06022	1.4
110.07122	1.8
111.04424	2.5
111.08075	1.0
111.98454	1.0
113.05982	1.1
113.09631	0.6
113.96381	16.5
119.08554	0.6
123.04437	3.4
127.03893	1.3
127.07526	1.5
128.07062	1.0
129.99496	0.9
131.97421	15.0
132.95819	3.5
137.05968	1.8
137.09601	2.2
137.13222	1.2
138.05453	1.6
140.04649	1.0
150.96869	7.7
154.98964	1.1
155.03362	1.5
155.07069	3.9
155.08224	0.5
155.08868	1.5
155.10629	2.5
155.14285	9.9
155.15466	1.1
155.97394	0.9
156.06474	1.3
156.07683	0.5
156.10187	1.3
163.26103	0.5
173.98541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.8
61.02914	1.2
69.91454	7.6
70.06571	1.3
72.08137	3.2
73.02930	1.7
74.09299	1.2
74.09709	19.9
79.98995	1.0
82.05297	1.2
83.06081	8.3
85.07652	1.8
90.11635	1.0
93.04484	5.7
95.06091	6.5
96.96899	3.5
100.02425	2.7
101.02551	1.3
103.02374	1.3
108.61568	1.1
110.07148	99.3
111.05560	1.4
111.07519	1.6
112.05212	1.2
114.01027	1.0
114.09103	1.8
118.03488	1.6
119.01904	3.2
121.01646	1.7
130.06297	16.3
132.01987	2.1
133.01639	2.8
133.03442	2.0
149.01222	1.7
153.30121	1.2
156.04193	100.0
156.07634	11.7
156.10152	2.6
157.04561	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00294	2.4
53.03932	3.7
55.05503	11.8
57.07052	2.0
59.04990	8.9
65.03911	2.1
67.05490	4.1
67.96735	1.0
69.07067	7.9
70.23360	5.8
71.04981	43.7
73.06546	24.7
79.05480	23.6
79.30299	1.1
81.07045	100.0
82.07395	1.4
83.04982	3.1
83.08602	1.9
84.96870	1.1
85.06502	1.2
91.05479	6.2
93.07034	39.5
95.04944	4.1
95.08584	8.3
97.06518	10.2
107.08578	34.3
108.08870	2.1
109.06558	1.1
109.10158	6.7
111.04409	2.8
111.08067	4.2
115.64073	1.3
119.08544	1.7
135.11671	35.7
153.05472	1.3
153.12735	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00275	1.9
53.03923	3.2
53.77244	1.6
55.05502	14.2
59.04978	6.8
61.25800	1.4
65.03912	2.3
67.05496	6.7
69.07053	9.4
69.67092	12.7
69.67436	2.5
71.04602	2.6
71.04980	43.3
73.06540	23.7
79.05477	20.5
81.07042	100.0
82.07372	3.2
83.04949	4.1
91.05458	8.0
93.03402	1.7
93.07027	43.3
95.04938	4.1
95.08584	9.8
97.06512	8.2
105.06967	2.0
107.08571	41.0
109.10145	12.3
111.04397	3.8
111.08058	4.0
128.00519	1.5
135.11674	36.3
136.12016	2.0
151.62932	1.5
153.05365	1.6
153.12723	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	153.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	5.6
55.05503	100.0
57.07051	16.6
60.16177	3.7
63.55034	5.1
65.03921	17.8
67.05485	11.0
68.05018	10.1
69.04545	5.3
69.07056	49.1
70.06582	7.4
71.01353	3.3
71.08627	8.0
72.04500	16.4
72.19303	4.6
79.05491	9.9
80.04990	5.6
81.07026	7.7
83.04951	5.8
83.06073	5.4
83.07370	6.2
83.08608	44.9
93.03369	4.9
93.07021	7.2
94.06530	4.2
95.04951	7.1
95.06065	10.9
95.08559	8.8
96.04502	4.5
97.06494	6.7
97.10144	45.4
107.04939	6.7
107.06014	5.3
107.08563	11.0
108.08074	6.4
109.06504	5.4
109.07619	4.6
110.06008	5.2
110.07133	18.6
111.04429	17.6
111.07969	9.7
111.11680	9.7
112.05058	6.0
112.08740	26.4
114.23668	4.0
118.53259	4.4
119.03503	4.0
125.05940	8.6
126.05515	6.0
126.09132	4.9
136.03877	11.1
136.04907	4.7
136.07671	7.5
136.08652	9.2
148.90523	4.2
153.06570	12.4
153.07600	8.1
153.09087	8.3
153.10208	11.8
153.11328	13.6
153.12627	5.0
154.05005	37.0
154.06145	7.3
154.08601	39.3
154.09727	13.9
154.12256	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	155.1064
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.00282	0.9
53.03930	3.3
55.01855	1.2
55.05501	23.2
57.03423	5.4
57.07070	7.5
59.04998	4.5
65.03916	3.7
67.05494	71.2
68.05823	1.1
69.03417	2.5
69.07059	8.4
69.94016	4.5
69.94425	1.3
70.95841	3.7
71.01344	11.7
71.04980	91.3
72.05323	1.1
72.93777	32.5
74.88450	0.8
79.05476	6.4
81.03423	1.7
81.07043	44.7
82.06551	1.5
82.07372	1.6
83.04955	4.4
83.08601	1.9
85.06540	5.0
86.09679	2.6
88.96862	1.2
90.94819	5.8
91.05452	3.6
93.07030	9.3
95.04954	19.6
95.08589	62.6
96.08901	1.4
97.06516	3.6
99.04439	71.1
99.08067	5.5
100.04737	1.6
101.05997	2.0
102.78878	0.9
107.08562	4.2
108.84328	0.8
109.06498	8.9
109.10139	100.0
110.07141	1.7
110.10471	2.6
111.04414	2.9
111.08047	7.9
111.98463	3.3
113.05994	6.4
113.09638	1.6
113.96381	23.7
117.05442	0.9
119.08556	3.5
123.04415	3.5
127.03856	1.6
127.07545	2.6
129.99507	1.0
131.97414	15.8
132.95784	4.5
137.05925	1.7
137.09601	17.7
140.04616	1.0
141.01817	1.0
141.06982	3.3
150.96852	10.9
154.99059	0.9
155.03360	1.7
155.07002	8.1
155.08249	1.5
155.10638	13.4
155.14293	1.5
155.15540	0.9
156.09273	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03949	1.1
55.01847	1.0
55.05504	13.8
57.07072	1.7
59.04994	8.5
61.51246	1.0
63.96674	1.0
65.03929	3.8
67.05492	6.1
69.03423	2.1
69.07059	11.0
70.07376	0.9
70.94271	1.3
70.95849	1.4
71.04982	46.1
71.22961	2.3
71.94057	1.3
72.24816	1.1
73.06546	22.1
79.05485	26.3
81.07045	100.0
82.07371	2.8
83.04969	3.1
83.08627	2.8
85.06543	1.2
90.18323	1.1
91.05463	8.0
93.03410	2.5
93.07031	46.6
95.04955	6.4
95.08597	10.3
97.06513	9.1
105.07037	3.2
107.04954	2.3
107.08578	44.9
109.06487	2.8
109.10150	8.3
110.03677	1.9
111.04434	6.8
111.08063	5.9
111.96867	1.2
119.08597	1.5
122.11085	1.0
122.11970	1.0
125.05967	4.0
129.97884	1.0
133.16847	0.9
135.04314	1.0
135.11682	33.0
136.07532	1.2
136.11967	1.6
153.05452	3.8
153.09093	2.1
153.10245	1.2
153.11548	1.9
153.12714	18.6
154.05020	2.4
154.08630	1.3
172.51434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00286	1.2
53.03934	2.9
55.01862	3.6
55.05502	30.4
56.34817	1.1
57.03421	4.5
57.07073	7.4
59.04990	10.8
64.67288	1.4
65.03614	1.4
65.03932	17.0
67.05494	15.1
67.36691	1.3
68.05003	1.5
69.03422	6.8
69.07062	28.1
70.06705	2.4
70.07131	5.1
70.94243	6.1
70.95846	1.9
71.04984	41.8
71.94074	5.0
73.06543	17.5
79.05483	30.0
80.05003	1.6
81.03403	2.2
81.07046	100.0
82.06561	2.5
82.07343	1.7
82.76921	1.3
83.04967	34.4
83.08597	5.2
87.01675	1.4
87.04477	1.6
91.05467	11.4
93.03380	5.9
93.07030	53.6
94.07355	1.9
95.04958	16.9
95.08593	37.4
97.05930	2.3
97.06519	27.6
98.20782	1.6
102.77688	1.3
105.07025	3.6
107.04929	4.5
107.08579	53.9
108.08901	2.0
109.06495	7.7
109.10141	24.5
110.03638	6.4
111.04421	28.4
111.08064	16.0
111.96853	5.1
112.04761	1.7
112.07619	3.5
112.96674	2.1
119.08546	2.8
121.06467	4.8
125.05963	14.3
125.09620	3.6
126.05452	1.5
129.97894	5.0
130.97743	1.5
135.04445	3.0
135.08054	5.6
135.11682	41.0
136.03929	2.8
136.07524	6.2
136.11971	1.7
153.01872	2.3
153.05490	15.6
153.06570	1.9
153.09088	16.1
153.12721	44.6
154.04961	12.8
154.08589	4.2
154.12228	4.1
154.95642	1.5
158.77264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00300	1.3
53.03936	2.8
55.01225	1.1
55.01863	1.5
55.05505	12.7
57.03405	1.3
57.07050	1.3
59.04998	8.5
60.55053	1.1
65.03916	3.5
67.05497	6.5
68.73187	1.1
69.03411	1.4
69.07061	8.6
70.94238	3.0
70.95857	1.4
71.04983	45.1
71.47607	1.4
71.47940	2.0
73.06548	25.7
79.05486	24.4
80.05830	1.4
81.07045	100.0
82.07366	1.6
83.04961	5.0
83.08599	3.1
85.87785	1.4
91.05457	8.6
93.03378	2.4
93.07032	46.6
94.07328	1.2
95.04958	6.0
95.08598	9.1
97.06516	10.2
100.97787	1.2
104.41784	1.2
105.07004	2.7
107.04955	2.3
107.08581	42.7
109.06456	1.7
109.10130	8.0
109.13799	1.1
111.04436	7.5
111.08080	7.2
125.05984	4.4
135.04422	2.2
135.11671	33.1
136.07552	1.3
153.05447	3.6
153.09138	2.8
153.12706	18.0
154.04984	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	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03935	2.4
55.01866	4.4
55.05504	33.1
56.05839	0.8
56.96539	0.5
57.03417	1.1
57.07054	0.7
59.04990	1.1
63.90403	0.5
65.03931	27.0
66.04256	0.5
67.05498	8.1
68.05840	0.5
69.03426	8.1
69.07051	4.9
70.94247	2.3
70.95844	1.1
71.04977	1.9
71.63577	0.8
71.87074	0.4
71.94085	1.0
77.03908	0.7
79.05485	13.4
80.05013	0.8
80.05817	1.0
81.03414	1.1
81.07044	7.5
82.06561	0.8
83.04967	100.0
83.08595	2.3
84.05288	2.5
87.04453	0.7
88.95296	0.5
91.05461	13.3
92.05773	0.6
93.03391	11.3
93.07032	26.4
94.03700	0.5
94.07365	1.2
95.04952	11.4
95.08594	6.2
97.02888	1.1
97.06519	9.1
97.10173	0.7
99.04430	2.0
105.07009	4.1
107.04961	2.5
107.08579	36.6
108.04469	0.8
108.08126	0.8
108.08911	1.2
109.02863	0.6
109.06506	8.0
109.10141	7.4
110.03638	5.2
111.04428	54.9
111.08065	52.3
111.96867	1.1
112.04758	1.7
112.07642	0.5
112.08416	1.8
112.96686	0.6
117.06998	1.4
121.02848	16.3
121.06487	0.9
125.05976	26.9
125.09612	5.0
126.05507	0.7
126.06323	1.1
129.97910	0.9
130.96248	0.6
134.06039	0.7
135.04424	1.6
135.08040	5.9
135.11679	5.7
136.03888	1.3
136.07555	1.7
138.03111	1.0
153.01913	1.6
153.04218	0.9
153.05458	14.4
153.06615	0.9
153.09090	15.9
153.10109	0.7
153.11617	0.7
153.12723	8.3
154.04918	4.1
154.06070	0.8
154.08485	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	152.0705
Annotation	Paracetamol
Peak:m/z	Relative Intensity
54.25879	0.2
55.40215	0.2
56.96291	0.2
56.96556	2.0
57.03420	0.5
61.02908	0.4
62.61363	0.1
65.03925	0.4
67.05501	0.3
69.03408	0.3
71.48727	0.3
73.02882	0.4
79.05465	0.2
81.03403	0.2
85.02872	0.4
86.69320	0.2
89.00796	0.2
90.01461	0.1
92.04991	2.2
93.01051	0.2
93.05757	1.0
94.06561	0.2
97.02903	0.2
97.99171	0.2
98.01283	0.4
98.97568	0.9
100.02512	0.2
104.01298	0.2
105.02099	0.1
105.52206	0.1
107.07351	0.2
108.08115	0.2
110.01273	0.3
110.06030	6.7
110.51465	0.3
110.97530	0.5
112.00916	0.2
114.09158	0.2
116.98596	0.6
119.01818	1.2
119.51949	0.7
120.02050	0.2
122.06021	1.6
123.06792	0.3
124.07580	0.2
125.04708	0.7
128.02272	0.5
128.04509	0.2
128.52470	0.9
128.98592	0.9
131.01901	0.3
132.86902	0.2
134.05997	0.2
137.52965	0.2
138.05478	0.6
146.99606	0.8
147.01343	0.2
147.05002	0.3
148.04018	0.2
152.07045	100.0
153.04062	0.6
153.07396	4.9
160.86324	0.2
161.02939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0543
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
53.03929	0.5
55.01854	0.6
55.05501	6.8
63.95806	0.2
65.03929	1.4
67.05489	0.7
67.33218	0.1
68.99774	0.2
69.03413	0.4
69.07047	0.5
70.94236	0.6
70.95850	0.4
71.01331	0.2
71.04976	0.3
71.78791	0.2
71.94090	0.3
71.95261	0.2
75.27834	0.1
79.01365	0.2
79.05470	1.0
80.04955	0.2
81.03400	0.2
81.07050	0.8
82.06576	0.2
83.04967	8.0
88.95310	0.2
88.96898	0.2
91.05459	0.2
93.03387	0.4
93.07008	1.2
95.04954	0.9
95.08592	0.6
96.04436	0.1
97.06523	1.2
107.04945	0.6
107.08572	1.2
107.40238	0.1
108.04433	0.2
109.02879	0.3
109.06539	0.4
109.10139	0.8
110.03647	0.2
110.06072	0.2
111.04424	100.0
111.96861	0.6
112.04749	2.4
112.05476	0.2
112.96693	0.2
125.05980	1.5
125.09607	0.4
126.05495	0.3
126.09137	0.2
129.97882	0.5
130.97731	0.2
135.04381	0.4
135.08032	0.5
135.11697	0.5
136.03928	0.5
136.07545	0.4
147.04503	0.1
153.05467	2.1
153.06589	0.4
153.07666	0.1
153.09090	0.9
153.12709	0.9
154.04979	1.6
154.08632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1479
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03942	0.7
55.01867	0.7
55.05501	4.9
57.07069	1.2
59.04565	0.3
64.65767	0.3
65.03937	2.0
67.05493	84.3
68.05814	2.7
69.03403	0.6
69.07060	4.7
70.94658	1.2
71.08604	0.6
79.05477	4.5
81.07043	45.4
82.07378	1.9
83.04982	0.5
83.08612	1.0
89.06014	0.8
91.05473	2.0
93.07025	5.3
95.01296	0.6
95.04964	1.3
95.08591	100.0
96.04462	1.1
96.08918	4.1
105.06986	1.9
106.06528	0.8
107.04933	0.4
107.08588	2.7
109.06511	2.1
109.10139	54.5
110.01233	0.5
110.06045	0.6
110.10485	2.9
123.04401	0.8
123.08046	1.4
123.11675	1.2
124.03952	0.4
124.07572	1.4
128.02271	0.9
133.10133	1.1
134.06009	0.5
149.69183	0.4
151.02791	0.8
151.03862	1.5
151.07507	2.2
151.08582	0.8
151.11188	2.8
151.14801	13.2
152.01653	1.3
152.03340	0.6
152.07043	4.1
152.10585	0.7
152.15121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03928	1.3
55.01843	1.2
55.05490	1.2
56.96544	0.6
57.03428	2.4
62.23914	0.3
65.03905	0.6
67.05491	6.6
68.04990	0.3
68.99783	2.2
69.03419	2.7
69.07046	0.9
69.70497	1.0
69.70916	2.0
73.02873	0.4
77.03928	0.3
79.05477	8.5
81.03399	0.8
81.07043	5.7
83.01319	3.8
83.04962	0.7
83.08605	0.7
89.06001	1.1
91.05456	4.6
93.07024	3.7
95.01299	0.9
95.04949	3.5
95.08587	15.5
96.04472	0.6
96.08092	0.4
98.97572	0.4
103.05450	3.6
105.03361	0.4
105.07009	18.9
106.06561	0.7
106.07327	0.5
107.04928	1.6
107.08583	1.8
108.05708	2.4
109.02858	0.4
109.06493	5.4
109.10158	1.9
110.05984	0.5
115.05428	1.1
118.04133	0.4
119.01781	0.9
121.06451	0.8
123.04428	2.6
123.08047	17.2
123.11675	1.0
124.03907	0.4
124.07537	0.9
125.05935	0.4
128.02267	0.8
131.04930	0.5
133.02824	0.4
133.06468	15.9
133.07480	0.8
133.10074	1.3
134.05963	0.9
134.06860	0.5
134.99614	0.5
136.05177	1.0
151.02806	1.0
151.03893	3.1
151.07512	100.0
151.11082	4.4
152.01622	1.4
152.03368	1.2
152.07014	2.8
152.07887	2.1
152.10587	0.7
168.76694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03930	2.3
55.05502	10.6
56.69232	1.6
60.39182	1.5
65.03915	7.6
67.05493	10.1
69.07055	16.8
69.72428	14.6
75.44513	2.0
79.05490	22.9
81.06599	2.8
81.07045	44.9
82.07363	2.1
83.08626	2.0
86.78799	1.7
91.05489	13.7
93.03419	2.3
93.07029	100.0
94.07337	4.1
95.04952	7.1
95.08579	6.9
105.07029	4.6
107.08578	66.7
111.04366	1.8
119.82708	1.6
121.02871	11.1
121.10121	28.5
149.02338	23.9
149.13234	66.3
150.13539	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	149.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05486	2.0
57.22041	0.9
65.03930	28.2
66.04247	2.1
67.05505	1.6
67.15852	0.8
69.07040	2.9
71.79097	0.9
71.79513	1.0
79.05487	10.4
81.07048	4.9
89.14348	0.8
91.05467	5.9
93.03396	7.2
93.07029	21.1
94.57436	0.8
95.04971	1.1
95.08569	1.6
98.03645	2.0
103.05444	1.6
105.07002	2.8
107.08572	15.9
108.02087	0.9
111.04442	7.4
121.02843	40.3
121.03956	8.2
121.06468	2.4
121.10105	7.3
122.03168	2.4
131.04904	0.9
131.08582	0.9
149.02318	100.0
149.05966	3.0
149.09618	4.7
149.13239	10.7
150.02649	7.4
150.03697	1.7
150.05412	2.0
150.09094	2.7
167.03348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03912	1.6
54.84718	1.1
55.01850	2.1
55.05494	3.9
57.07051	3.4
57.53489	1.1
58.00293	1.1
65.03606	2.0
65.03930	25.4
67.05468	1.7
68.19018	1.1
69.07058	10.8
70.32278	4.5
79.05480	14.5
81.07047	7.8
83.08592	1.2
89.03902	2.5
91.05465	20.5
93.03388	8.0
93.07030	32.9
94.07415	1.6
95.04937	3.0
95.08584	1.6
98.03646	1.9
103.05429	3.5
105.07009	16.5
106.04124	2.2
107.08579	59.0
108.04474	1.2
108.08853	1.7
109.06476	3.8
111.04434	5.8
117.03381	1.3
119.06007	1.4
119.08555	3.8
121.02845	39.0
121.03947	8.2
121.06489	4.3
121.09251	2.1
121.10124	43.0
122.03143	1.6
122.06077	1.2
122.10458	2.4
123.08041	3.0
126.05372	1.1
131.04955	1.9
131.08580	1.6
134.10915	1.7
139.24008	1.3
149.02321	100.0
149.05954	7.1
149.06981	1.8
149.09601	5.1
149.13234	23.3
150.02635	7.8
150.05498	3.4
150.09116	3.1
168.31868	1.2
169.03551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03927	3.0
55.01852	1.7
55.05503	9.7
57.07060	2.4
65.03931	31.0
67.05479	5.6
69.07063	15.3
69.64940	7.1
69.65359	5.0
75.50475	1.3
79.05482	19.5
80.66861	1.3
81.07044	17.0
82.23426	1.3
83.08585	1.9
85.14943	1.2
89.03896	1.9
90.43047	1.8
91.05466	21.4
93.03397	7.4
93.07034	67.7
94.07357	3.6
95.04945	7.2
95.08583	3.0
98.03615	1.5
103.05449	3.7
104.70955	1.2
105.07014	14.7
106.04193	2.0
107.04949	1.5
107.08579	94.6
108.08909	5.6
109.06492	4.0
111.04404	7.0
113.40556	1.2
119.08525	1.8
121.02847	42.2
121.03957	6.8
121.05663	1.3
121.06480	5.6
121.10129	48.3
122.03188	2.2
122.10528	2.0
123.08051	2.4
125.11431	1.3
131.04892	1.8
131.08533	2.7
135.04366	1.8
147.11716	1.3
149.02324	100.0
149.06029	6.8
149.07034	2.0
149.08490	1.8
149.09579	9.4
149.13242	40.5
150.02661	8.6
150.05493	3.5
150.09067	3.8
150.13618	2.5
169.03479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94062	5.3
53.03935	4.1
53.93975	5.1
55.01849	7.3
55.93506	6.6
56.04995	2.2
56.94306	9.5
56.96552	26.2
57.03427	30.4
57.07048	4.1
61.02914	13.6
63.60957	1.8
65.03915	3.9
66.04254	4.0
67.02950	3.2
67.05477	4.8
67.93560	45.7
68.02538	3.8
68.05004	5.1
68.93558	3.3
68.94307	7.5
68.96321	68.2
69.03082	3.3
69.03418	35.8
69.57347	17.7
70.94238	4.6
70.95870	3.1
71.01325	3.0
71.04963	3.3
72.93774	71.9
73.02908	15.4
79.05479	3.1
80.04977	3.6
81.03402	15.6
81.04529	3.2
81.07040	7.7
83.00787	3.9
83.04955	2.1
85.02884	28.7
85.03374	2.8
85.94633	2.0
86.97357	29.1
87.00452	9.8
88.07629	1.8
88.95241	2.8
89.00739	3.0
89.05956	2.5
90.94810	33.1
91.05452	3.9
92.01274	2.2
93.05769	13.9
93.50178	7.5
94.03703	1.9
94.06544	6.5
95.00722	2.4
95.01277	2.0
95.04955	3.2
95.06082	2.9
96.00966	2.9
96.01535	3.8
96.04481	10.2
96.39356	2.0
97.02885	11.5
98.01278	3.7
98.51223	10.4
98.97559	11.7
99.04444	5.6
100.02468	2.5
100.51527	3.0
101.00767	3.5
101.52253	2.3
102.94798	3.2
103.03912	2.8
103.95656	2.7
104.00094	2.8
104.01283	3.8
104.07038	2.0
104.96320	2.8
104.98374	4.7
105.07024	6.0
105.40060	2.1
107.01753	4.7
107.08572	3.3
108.04405	2.4
108.05605	3.6
108.08134	2.6
108.50136	4.3
108.95840	10.4
109.02859	5.7
109.06485	4.7
109.07642	10.9
109.50907	3.4
109.98914	29.6
110.01240	14.3
110.01987	4.2
110.07131	6.8
110.08390	6.7
110.09099	2.2
111.07932	27.4
111.96833	6.3
113.96379	100.0
114.01475	2.8
114.09077	2.4
116.48098	3.3
116.96370	2.6
116.97209	2.8
116.98573	10.9
118.94289	2.1
119.01772	22.7
119.95129	2.2
120.95847	2.6
121.52014	6.7
122.03186	13.3
122.03968	1.8
122.05999	9.2
122.07027	2.4
122.09641	2.6
123.04475	2.5
123.08019	4.0
124.03919	2.8
125.52306	2.5
126.97161	7.1
127.00385	5.6
127.03878	5.9
127.99936	15.3
128.02295	24.1
128.95100	3.0
128.96312	6.0
129.50648	7.6
129.97879	4.5
130.02348	2.0
130.52551	8.9
131.97415	85.8
131.98415	4.1
132.04422	3.5
132.94899	3.0
132.95830	41.4
132.97675	2.1
133.10052	2.1
134.97346	4.4
134.99622	6.0
137.02829	8.4
138.51137	8.8
139.53094	11.4
140.95123	21.5
144.95793	22.0
144.98244	10.1
145.98932	2.9
146.96262	3.3
146.97356	14.4
146.99591	4.1
150.02684	43.8
150.03706	4.9
150.05487	21.4
150.06567	6.3
150.07726	11.9
150.09094	47.3
150.10233	17.3
150.11313	2.6
150.12764	5.2
150.96870	22.1
151.01549	4.9
151.02780	3.5
151.03914	12.8
151.04962	3.1
151.06104	3.4
151.07504	3.8
151.09744	24.4
151.10951	2.7
154.99001	30.4
155.96133	2.7
155.97400	38.2
156.95796	3.0
158.97348	12.1
162.96851	23.9
167.97417	11.0
167.99767	2.8
168.95871	2.9
169.99004	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.7
65.03922	3.9
67.05508	2.2
69.07050	3.6
71.07681	1.7
71.07989	2.0
77.19534	1.2
79.05496	7.8
81.07061	1.4
84.04484	2.4
91.05473	60.6
92.05788	3.5
93.07027	4.0
95.04922	1.8
103.05470	2.9
105.07021	78.2
106.07346	3.9
107.08583	5.1
116.06218	2.0
117.07015	9.7
119.04307	1.0
119.04931	34.4
119.08571	100.0
120.05249	2.2
120.08858	5.8
130.06525	1.6
131.08574	2.2
132.09328	5.1
145.10072	12.3
147.04402	23.5
147.05394	0.9
147.06383	1.3
147.08015	6.3
147.11678	85.3
148.04832	1.7
148.12015	7.6
152.71162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.7
65.03922	3.9
67.05508	2.2
69.07050	3.6
71.07681	1.7
71.07989	2.0
77.19534	1.2
79.05496	7.8
81.07061	1.4
84.04484	2.4
91.05473	60.6
92.05788	3.5
93.07027	4.0
95.04922	1.8
103.05470	2.9
105.07021	78.2
106.07346	3.9
107.08583	5.1
116.06218	2.0
117.07015	9.7
119.04307	1.0
119.04931	34.4
119.08571	100.0
120.05249	2.2
120.08858	5.8
130.06525	1.6
131.08574	2.2
132.09328	5.1
145.10072	12.3
147.04402	23.5
147.05394	0.9
147.06383	1.3
147.08015	6.3
147.11678	85.3
148.04832	1.7
148.12015	7.6
152.71162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03922	1.2
55.05504	11.5
61.35321	1.1
65.03938	1.5
67.05473	3.5
69.07046	5.5
71.36287	2.6
79.05457	5.1
81.07043	1.2
84.04482	1.8
89.03907	1.2
91.05464	43.0
92.05805	2.2
93.07022	1.7
95.04955	1.5
103.05431	3.3
105.07014	100.0
106.07321	6.2
107.08563	2.8
116.06232	1.0
117.07013	5.8
119.04925	17.4
119.08559	97.4
120.05267	1.5
120.08133	1.0
120.08887	5.0
123.96413	1.1
130.07689	1.1
131.08504	1.9
132.09340	2.5
145.10124	7.7
145.25331	0.9
146.10422	1.0
147.04396	10.8
147.11661	80.9
148.03862	0.9
148.05016	1.7
148.12004	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	149.0596
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02378	0.8
53.03926	2.9
55.01852	2.7
55.05495	1.5
55.32165	0.7
56.96554	11.5
57.03423	1.1
58.06588	2.0
59.07365	1.2
65.03929	24.9
67.05503	5.1
69.03417	1.2
69.07066	0.8
71.52645	1.6
74.97583	1.5
79.05478	28.8
80.05791	1.2
81.03408	0.8
82.34872	0.8
84.08150	0.9
85.02898	1.3
91.05466	10.4
93.03387	7.7
93.07032	34.2
94.06544	7.8
94.07348	1.1
95.04956	8.6
98.03645	1.7
100.02461	1.0
102.03346	1.5
103.05451	64.7
104.05784	3.2
105.07021	2.3
106.06508	1.6
107.04939	20.1
107.08549	1.7
110.07120	1.1
111.04467	7.1
114.09084	0.9
119.00051	1.1
119.01859	1.3
121.02845	39.1
121.03950	7.8
121.06484	19.1
121.07386	1.0
121.10118	1.4
122.03183	1.6
122.05998	5.8
122.06776	1.3
123.07913	3.6
126.59427	2.9
131.04890	5.1
131.08568	1.2
134.09227	1.2
138.54070	1.0
142.03465	0.8
149.02318	100.0
149.05940	12.8
149.07010	1.3
149.09641	2.0
149.11543	7.3
149.13210	0.9
150.02660	7.8
150.03694	1.3
150.05446	11.0
150.06543	1.4
150.07727	10.7
150.09029	2.2
150.12761	1.7
167.03389	2.0
168.06526	1.2
169.03470	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	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03920	2.2
55.01868	27.9
55.05483	1.6
65.03936	30.3
66.04262	1.1
67.05481	1.4
71.79027	1.5
79.05488	18.0
80.05807	1.2
81.07045	3.3
87.84776	0.8
89.03889	1.2
91.05470	15.7
93.03399	9.0
93.07036	53.7
94.07375	2.4
95.04969	4.6
95.08568	1.1
103.05464	8.9
104.05779	1.2
105.07012	7.8
106.04128	1.3
107.04957	3.1
107.08594	10.7
109.06529	1.6
111.04446	6.3
116.06214	1.8
119.08546	1.0
121.02855	37.9
121.03969	9.7
121.06468	10.7
121.10139	12.3
122.03188	3.0
122.06840	0.9
131.04915	2.6
131.08545	6.2
149.02330	100.0
149.05962	9.4
149.09604	66.5
149.13254	3.1
150.02667	7.4
150.05479	1.7
150.07761	0.8
150.08897	1.2
150.10040	4.2
155.08217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05502	10.6
56.69232	1.6
60.39182	1.5
65.03915	7.6
67.05493	10.1
69.07055	16.8
69.72428	14.6
75.44513	2.0
79.05490	22.9
81.06599	2.8
81.07045	44.9
82.07363	2.1
83.08626	2.0
86.78799	1.7
91.05489	13.7
93.03419	2.3
93.07029	100.0
94.07337	4.1
95.04952	7.1
95.08579	6.9
105.07029	4.6
107.08578	66.7
111.04366	1.8
119.82708	1.6
121.02871	11.1
121.10121	28.5
149.02338	23.9
149.13234	66.3
150.13539	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	146.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	1.2
56.96547	2.4
57.03420	1.0
60.05642	22.0
69.03417	8.1
70.54333	1.8
70.54729	1.7
82.06555	2.0
83.06084	1.9
84.04478	6.1
84.08130	7.6
84.13765	0.8
85.02872	1.1
86.06055	78.8
87.04453	100.0
88.04770	1.9
91.05438	1.4
100.02451	1.6
100.07583	4.6
104.07086	20.4
110.06057	1.0
111.05543	11.8
118.03520	1.0
119.01893	1.2
119.04910	1.2
121.01653	1.0
128.07170	1.0
128.08163	13.4
129.05679	1.0
129.06558	4.2
130.04979	2.2
130.08612	2.2
146.08173	4.2
146.09219	82.3
147.09604	1.4
160.16109	0.8
161.62761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.05497	0.8
56.05009	0.5
57.89837	0.4
60.67664	0.4
68.40861	0.4
69.60484	4.0
71.04978	0.7
72.08147	1.1
82.06571	2.9
91.05470	21.4
92.05785	0.7
92.92633	0.4
100.04768	1.9
100.07603	3.0
105.07001	2.1
117.05745	3.5
117.07059	0.5
118.06527	100.0
119.04949	3.0
119.06871	5.0
119.08555	2.2
128.07076	0.4
146.06004	21.8
146.08073	1.9
147.04376	2.0
147.06331	1.1
147.08054	0.7
147.11688	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	146.0921
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
56.05022	1.5
60.05640	23.5
63.97456	0.7
65.40378	0.7
68.05012	1.0
69.03427	6.6
70.09862	1.3
70.10267	2.0
72.08146	1.6
77.02377	0.8
83.06087	2.9
84.04469	1.1
84.08124	1.2
86.06055	80.7
87.04453	100.0
88.04781	1.5
92.24625	0.7
98.21356	0.9
100.07607	1.0
104.06441	1.3
104.07090	17.7
111.05550	11.4
119.23215	0.7
119.24111	0.7
128.08180	13.9
129.06593	4.6
146.09224	90.4
147.09543	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	142.086
Annotation	(R)-ETHOSUXIMIDE
Peak:m/z	Relative Intensity
53.03916	0.9
55.01871	3.1
55.02084	0.6
55.05499	3.0
56.05015	1.3
56.96563	5.0
57.03431	7.0
57.04532	0.7
58.99838	2.2
60.95831	0.6
61.02916	6.4
67.05494	1.1
68.02628	1.0
68.05004	2.0
69.03413	7.0
70.06583	9.9
70.99875	0.6
71.04998	0.9
71.78854	0.8
72.08114	0.7
73.02904	11.4
74.00245	0.7
77.00880	2.7
78.00152	0.6
78.52935	1.9
79.02152	1.1
79.05463	1.6
79.51906	1.0
80.04986	1.0
80.52678	0.7
81.01897	2.8
81.03402	2.8
81.04525	4.8
81.05776	2.7
82.01427	2.9
82.06570	2.9
83.00773	1.1
83.04969	1.5
83.07347	0.8
84.08141	5.4
84.52955	2.8
85.02892	5.7
85.51893	0.7
85.53708	1.5
86.06052	2.4
86.52688	2.5
87.01904	1.2
87.53463	1.2
88.02673	7.5
88.03957	1.3
89.00838	1.2
90.01538	1.4
90.02402	2.5
90.52943	0.8
92.01269	1.0
92.52670	2.5
93.01869	4.2
93.53468	6.6
94.06532	1.8
95.00690	0.5
95.01929	0.9
95.06066	2.4
95.53194	0.8
96.01550	0.7
96.02402	2.5
96.08115	45.2
97.02853	5.0
97.07648	2.2
97.08374	1.0
97.08946	1.4
98.52665	3.4
98.97566	7.8
99.04422	1.3
99.53454	6.2
100.02475	15.2
100.52414	1.2
101.00861	12.6
101.53203	2.1
102.02400	11.1
103.52061	0.8
104.52664	2.2
105.02036	0.8
105.04230	0.7
107.53191	2.1
108.53957	0.8
109.02853	2.2
110.01266	2.3
110.53711	2.1
111.02910	8.0
111.04216	0.7
113.00848	1.3
113.53194	8.3
114.09151	61.5
115.02397	2.5
115.09476	2.6
116.98620	4.5
118.03496	10.4
119.01895	60.9
120.03405	3.8
122.53693	7.2
124.02385	2.8
124.07590	1.4
125.04014	0.6
125.07101	7.9
127.03860	1.4
128.02353	3.5
128.03156	0.7
128.98557	1.2
131.01892	6.7
131.54196	2.7
133.03430	2.3
134.99660	1.8
137.02940	14.5
141.02609	1.0
142.03482	21.5
142.08614	100.0
142.12245	8.5
143.01839	6.9
143.03401	4.4
143.08101	1.9
143.09088	4.1
143.11775	0.7
145.03441	1.4
146.99625	1.6
147.01373	1.0
149.02934	1.8
154.03487	4.4
155.01898	1.7
156.05043	0.8
157.03470	1.4
158.01277	1.3
158.99585	0.8
160.04509	3.4
161.02948	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	146.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43669	0.4
55.05493	1.6
56.05009	0.6
65.03947	0.6
69.56785	1.9
69.57220	2.3
71.04971	1.0
72.08153	0.7
74.02427	0.7
82.06576	7.4
84.08151	0.5
85.02889	0.9
91.05473	20.0
92.05775	0.5
100.04774	1.9
100.07610	5.5
105.07019	1.8
117.05752	3.5
117.07053	0.9
118.06532	100.0
119.04926	2.7
119.06871	4.2
119.07629	0.6
119.07766	0.6
119.08560	3.7
121.96655	0.5
128.07059	2.0
129.50673	0.4
146.06006	22.5
146.08052	5.2
146.10484	0.6
147.04451	3.7
147.06364	1.4
147.08072	0.7
147.11655	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	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44127	0.8
56.96556	28.8
67.64297	0.8
67.89265	0.9
69.95132	3.1
69.95557	2.9
71.95257	4.5
83.30312	0.8
94.06565	3.2
96.08134	1.2
97.00501	1.2
98.06020	3.2
98.21449	0.8
98.97568	100.0
112.75771	0.8
114.09178	1.3
116.98602	87.9
122.06008	1.0
123.90641	0.9
125.02338	1.4
125.14671	1.0
127.01524	1.3
134.99634	58.6
138.05489	1.3
140.00163	2.8
140.07060	3.3
140.54019	0.8
140.93893	0.9
141.01788	1.3
147.03578	0.8
150.92409	0.9
153.00685	8.0
158.01234	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67266	2.7
66.01659	3.2
68.52523	3.0
69.97777	13.7
69.98180	6.1
83.03172	3.4
98.21381	4.2
98.47186	2.8
101.00860	14.4
104.11362	2.9
111.14153	3.2
115.11731	2.6
119.01909	100.0
120.33920	2.9
137.02943	35.0
142.03493	29.1
160.04524	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02947	3.5
66.31081	3.1
71.20692	3.2
71.21029	7.1
73.02934	3.3
98.97601	3.3
101.00854	19.4
119.01907	100.0
120.02004	4.4
133.91635	3.1
137.02939	30.7
142.03508	37.9
142.08592	4.9
143.47876	3.0
160.04567	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	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	27.9
58.39415	0.7
63.43358	0.7
71.23435	1.8
71.23780	1.0
71.95239	4.4
88.77761	0.7
91.04821	0.8
92.73437	0.7
98.97569	100.0
99.97898	1.2
105.69621	0.8
114.09087	1.2
116.98605	92.4
117.98996	0.9
127.01538	1.2
134.59271	0.8
134.99638	55.3
135.99991	0.9
140.00177	2.3
145.15562	0.7
153.00674	8.2
158.01257	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	138.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17263	0.1
53.03932	0.3
65.03928	0.3
67.05499	0.2
68.63750	0.1
71.47150	0.2
78.03448	0.3
92.04980	2.0
93.05777	0.6
94.06556	11.6
95.06884	0.5
96.04472	2.0
110.06026	8.9
111.06351	0.2
138.05481	100.0
139.05832	4.8
154.04973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00292	3.1
53.03925	3.1
55.01860	6.5
55.05500	6.1
56.05019	1.6
56.96555	33.0
57.03444	1.0
57.93543	2.7
64.52812	0.9
65.03931	28.6
66.04263	0.8
67.01846	2.0
67.05502	6.4
68.05008	1.5
68.52512	0.9
68.99780	8.0
69.03417	11.1
69.07040	3.1
70.06582	1.9
70.12817	5.2
71.01353	1.0
71.95226	1.6
79.05463	2.7
80.04996	1.9
81.03409	2.3
81.05791	1.1
81.07047	1.5
82.94800	0.9
83.04968	13.2
83.06095	1.0
84.08134	2.2
91.05492	2.7
93.03378	9.2
93.07019	5.2
94.06557	8.2
95.04958	14.7
95.08589	2.2
96.08121	5.6
97.02885	8.7
97.06504	4.8
97.99162	1.3
98.06076	1.2
98.21299	1.4
98.97570	44.8
98.98450	8.3
111.04420	57.2
111.08019	2.4
112.03960	4.2
112.04692	1.9
112.07586	3.7
116.97308	10.6
116.98598	60.4
120.67119	0.8
121.02855	18.3
121.03973	3.1
121.06458	1.4
121.10133	2.6
122.06002	4.4
125.02341	1.7
128.03329	1.3
134.99635	60.5
138.05508	2.6
138.54149	0.9
139.03888	100.0
139.05766	14.3
139.07518	4.6
139.08659	4.5
139.09598	1.2
139.11157	7.2
140.00197	2.1
140.03391	8.8
140.04314	3.9
140.07057	7.6
140.08116	2.3
140.10710	2.4
153.00665	14.0
156.02974	1.0
158.01259	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	139.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	67.2
56.05016	6.2
57.04558	12.8
57.07067	14.2
58.02952	62.8
59.12535	2.1
60.43616	2.5
63.36789	2.3
66.03460	4.2
67.05476	2.4
68.05006	3.1
69.03417	7.9
69.04548	4.1
69.06721	4.8
69.07059	43.8
70.06586	4.8
71.06115	5.2
71.80034	3.3
81.04533	5.2
83.08607	91.7
84.08125	3.9
88.31435	2.3
92.24942	2.5
93.04526	5.5
93.07012	3.1
94.06567	5.2
95.06086	5.0
96.35731	2.7
97.10171	17.4
98.04781	6.5
98.07162	100.0
98.98449	8.2
99.05571	35.9
107.89170	2.8
110.03333	2.4
111.04446	8.1
112.03957	6.2
112.07590	3.3
121.03970	30.5
122.04364	2.8
122.06143	2.9
122.07128	58.8
129.85213	2.5
139.03989	4.6
139.05005	13.3
139.05916	3.0
139.07605	4.3
139.08641	10.3
139.09668	5.7
139.11324	3.8
139.12292	9.3
140.03419	9.6
140.07086	9.1
140.08153	58.3
140.10672	9.7
140.11768	4.5
151.61038	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	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92720	1.1
55.01850	1.2
55.05488	2.5
56.05016	3.1
56.96557	26.9
57.93556	15.2
61.95446	1.0
64.46700	0.9
65.03931	1.2
66.04265	1.4
67.05499	7.6
67.93557	1.7
68.05006	2.4
69.03407	3.5
69.07066	1.5
70.06557	1.8
70.69503	3.9
71.04993	1.8
71.95242	2.6
80.04990	2.0
81.03408	2.5
81.07051	0.9
82.06580	1.5
83.04955	1.1
84.04485	2.4
84.08124	1.0
85.02876	1.2
85.07636	1.1
88.04415	1.0
89.72478	1.2
94.06557	15.2
95.01300	2.8
95.04939	4.5
95.06102	1.3
95.08573	2.7
96.04507	0.9
96.05245	2.1
97.06488	2.1
98.06028	3.6
98.07173	2.2
98.21434	1.1
98.96160	1.7
98.97566	44.1
99.04453	1.3
99.05556	1.9
109.02841	1.8
111.04410	1.1
112.03942	12.8
112.04758	5.4
112.07589	7.0
113.02341	11.7
113.05994	1.9
116.97231	38.1
116.98592	69.1
122.06022	10.3
122.06898	1.6
123.00761	1.3
123.04398	2.5
123.05518	2.3
128.03413	2.4
134.99637	100.0
135.99969	1.2
138.05461	2.2
139.98752	1.9
140.00131	2.2
140.03391	21.9
140.04355	2.5
140.05235	1.2
140.07033	13.8
140.08115	4.3
140.10654	5.0
140.11591	1.6
140.95090	3.0
141.01788	16.0
141.02824	1.7
141.05424	4.0
141.06465	1.1
144.98268	1.2
148.96115	5.8
153.00694	22.9
156.02881	2.4
158.01273	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	137.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35434	0.8
53.03922	2.4
54.54205	0.9
55.01844	0.9
55.05480	3.1
57.07058	6.2
65.03925	1.9
66.04702	2.3
67.05491	17.5
68.05810	1.0
69.03397	0.8
69.07056	4.4
71.78926	1.2
71.79336	1.0
77.03880	1.1
79.05478	8.3
81.07038	56.2
82.06551	1.7
82.07361	2.5
90.50864	0.9
91.05465	9.6
91.27835	0.8
92.04958	1.2
92.05812	1.0
93.07018	8.0
94.04167	20.4
94.06532	2.5
95.04423	1.2
95.04932	3.6
95.05487	1.1
95.08586	72.4
96.04454	3.0
96.08909	3.3
104.69144	1.1
107.04932	2.0
109.06487	3.6
109.10120	5.5
110.06010	5.4
110.09675	0.9
119.04900	2.2
119.08555	1.0
120.04442	1.9
122.03625	42.4
122.07263	1.5
123.03966	3.7
137.02480	4.3
137.05933	100.0
137.09557	7.3
137.10567	1.7
137.13225	14.5
138.01704	1.9
138.05446	21.2
138.06337	4.8
138.09058	5.7
138.10019	1.1
145.12241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.35434	0.8
53.03922	2.4
54.54205	0.9
55.01844	0.9
55.05480	3.1
57.07058	6.2
65.03925	1.9
66.04702	2.3
67.05491	17.5
68.05810	1.0
69.03397	0.8
69.07056	4.4
71.78926	1.2
71.79336	1.0
77.03880	1.1
79.05478	8.3
81.07038	56.2
82.06551	1.7
82.07361	2.5
90.50864	0.9
91.05465	9.6
91.27835	0.8
92.04958	1.2
92.05812	1.0
93.07018	8.0
94.04167	20.4
94.06532	2.5
95.04423	1.2
95.04932	3.6
95.05487	1.1
95.08586	72.4
96.04454	3.0
96.08909	3.3
104.69144	1.1
107.04932	2.0
109.06487	3.6
109.10120	5.5
110.06010	5.4
110.09675	0.9
119.04900	2.2
119.08555	1.0
120.04442	1.9
122.03625	42.4
122.07263	1.5
123.03966	3.7
137.02480	4.3
137.05933	100.0
137.09557	7.3
137.10567	1.7
137.13225	14.5
138.01704	1.9
138.05446	21.2
138.06337	4.8
138.09058	5.7
138.10019	1.1
145.12241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.17263	0.1
53.03932	0.3
65.03928	0.3
67.05499	0.2
68.63750	0.1
71.47150	0.2
78.03448	0.3
92.04980	2.0
93.05777	0.6
94.06556	11.6
95.06884	0.5
96.04472	2.0
110.06026	8.9
111.06351	0.2
138.05481	100.0
139.05832	4.8
154.04973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.53926	0.2
53.03928	0.3
55.01851	0.3
55.05499	0.3
56.96543	0.8
59.41485	0.2
65.03931	1.0
67.05477	0.7
68.05007	0.6
68.99769	0.2
69.03398	0.5
70.72560	0.4
70.72920	0.4
78.03441	1.4
79.04195	1.1
80.04996	0.4
81.07015	0.2
82.06570	0.3
82.07371	0.2
82.59182	0.2
83.04951	0.5
91.38433	0.2
92.04941	0.5
93.03378	0.3
93.05765	0.2
93.07025	0.4
94.06563	1.6
94.07104	0.2
95.04983	0.4
96.04475	11.9
96.08913	0.3
96.40785	0.2
97.04807	0.3
97.06516	0.3
98.98444	0.6
106.02882	0.3
108.04462	3.3
110.06031	1.8
111.03166	0.3
111.04424	1.9
120.04440	0.4
121.02832	0.3
123.03944	0.2
124.03934	2.9
138.05473	100.0
139.03955	1.5
139.05826	4.5
139.07526	0.6
139.11203	0.4
152.54912	0.2
154.04996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.74718	0.8
53.03931	2.2
55.01846	2.4
55.05507	13.5
57.03421	1.9
65.03919	3.7
66.04714	1.9
67.05499	53.6
68.05836	1.8
69.03426	7.8
69.07041	2.5
69.84776	4.1
78.03439	1.0
79.04232	1.1
79.05480	8.2
81.03419	1.0
81.07046	22.5
82.06569	0.9
90.92003	0.8
91.05472	14.7
91.49638	0.7
92.04985	0.8
92.05803	1.1
93.07034	9.7
94.03623	1.2
94.04182	14.6
94.06558	1.9
95.04499	1.0
95.04975	9.8
95.08598	22.5
96.04477	9.2
98.53381	0.8
107.04924	1.3
107.08585	3.7
108.04469	2.8
109.06518	7.0
109.10149	24.8
110.06014	2.8
110.10442	1.4
111.08079	2.1
119.04946	1.5
119.08542	3.0
120.04465	1.3
122.03634	27.5
122.07251	3.3
123.03954	1.1
124.03913	1.9
137.02419	3.5
137.05956	66.4
137.09601	34.5
137.10522	0.7
137.13176	1.2
138.05482	100.0
138.06281	4.1
138.09100	3.5
140.03839	0.8
149.38686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.18078	0.5
52.20137	0.6
53.03927	1.8
55.01863	1.0
55.05484	1.3
65.03922	1.9
66.04699	2.6
67.05494	16.6
69.03401	1.5
69.07037	0.6
70.03139	1.0
70.03564	2.8
77.03894	0.6
79.05479	5.7
81.03403	1.1
81.07043	10.4
82.06541	0.9
87.86995	0.5
89.34393	0.5
91.05470	18.1
92.05000	1.3
93.05782	0.7
93.07048	4.1
94.04173	22.2
94.06543	1.7
94.07833	1.1
95.04443	0.5
95.04974	4.5
95.08591	8.2
96.04533	0.8
98.20690	0.6
101.19244	0.5
103.05434	0.8
107.04936	9.4
107.08593	0.9
109.06500	4.6
109.09392	0.9
109.10142	17.5
110.06023	3.7
110.10458	1.2
117.06978	1.0
119.04902	1.7
119.08569	9.9
120.04485	2.6
120.08877	0.5
121.06500	3.8
122.03632	40.4
122.07267	48.1
123.03951	1.6
123.07593	2.0
135.04305	0.6
135.08037	2.1
137.02489	3.9
137.05948	100.0
137.09587	70.3
137.10486	1.5
137.13199	1.0
138.01749	1.2
138.05449	17.8
138.06343	3.2
138.09074	2.3
138.09984	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03929	1.5
55.05495	1.1
61.60235	0.4
65.03926	1.6
66.04723	2.6
67.05496	13.2
69.03419	0.9
69.07053	0.6
69.56422	1.1
69.56828	3.3
77.03882	0.8
79.05482	4.9
81.03414	0.6
81.07049	7.5
82.06555	0.7
91.05481	10.5
93.07036	2.6
94.04177	23.2
94.06528	0.9
94.07801	0.6
95.04428	0.7
95.04977	3.2
95.08595	8.0
96.02811	0.5
96.04508	0.6
105.03384	0.6
105.04488	0.6
107.04931	7.2
107.08592	0.7
109.06502	1.8
109.10146	19.3
110.06021	1.8
110.10476	1.0
117.07017	0.7
119.04936	1.1
119.08575	8.6
120.04459	0.8
121.06491	4.0
122.03635	43.2
122.07272	46.7
123.03976	1.8
123.07619	2.3
135.08000	1.6
137.02426	1.9
137.05960	100.0
137.09593	68.1
138.01778	0.7
138.05461	9.1
138.06340	5.3
138.09987	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	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
53.03922	1.8
55.01864	0.8
55.05504	6.6
57.03416	0.5
58.09720	0.5
65.03912	1.5
66.04719	2.3
67.05495	16.3
69.03413	1.3
69.07046	1.8
69.87341	1.8
69.87768	1.6
77.03893	0.7
79.05476	5.7
81.03383	1.5
81.07045	9.1
81.98083	0.4
82.06582	0.5
83.04967	0.5
83.83831	0.5
89.95403	0.4
91.05469	9.8
92.04977	1.0
92.05766	1.0
93.07031	5.9
94.04173	23.0
94.06528	1.6
94.07368	0.5
95.04966	6.9
95.08592	10.3
96.04467	1.5
98.20781	1.0
105.06980	0.6
107.04903	2.1
107.08585	3.7
108.70463	0.4
109.06506	4.2
109.10149	11.0
110.06010	3.4
110.10439	0.5
111.04413	0.5
119.04926	1.8
119.08553	3.1
120.04455	1.1
122.03630	42.9
122.07241	1.8
123.03953	2.0
124.03987	0.5
126.81139	0.5
137.02502	3.8
137.05949	100.0
137.09578	14.4
137.13200	0.7
138.01730	1.4
138.05457	15.6
138.06334	4.8
138.09109	2.7
138.10042	0.6
142.51207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02368	0.5
53.03924	0.7
55.01859	0.6
65.03925	1.0
66.04714	2.1
67.05505	0.5
70.84182	0.7
70.84554	0.8
77.03919	0.4
79.05495	3.7
81.03453	0.4
81.07058	2.0
84.54164	0.3
91.05469	3.8
93.07046	0.9
94.04176	23.3
95.04443	0.8
95.04970	1.6
95.08622	0.9
103.21152	0.4
105.03371	0.6
107.04940	1.5
109.06483	1.0
110.06043	0.4
119.04896	0.4
120.04480	0.4
122.03633	43.5
123.03973	2.3
137.05959	100.0
138.05449	2.7
138.06366	4.5
138.09123	0.8
146.17087	0.4
158.79713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.73464	0.3
55.01856	0.7
60.81160	0.3
65.03918	1.2
66.04710	3.3
67.05507	1.7
71.00428	1.1
77.03917	0.9
79.05487	3.5
81.03394	0.4
81.07051	2.7
91.05463	4.6
92.04980	1.5
93.07030	1.6
94.04173	24.0
94.06541	0.7
95.04424	0.6
95.05016	1.8
95.05486	0.4
95.08586	1.1
105.03400	0.5
105.04435	0.4
107.04931	1.4
107.05614	0.4
109.06468	1.7
109.10131	0.4
110.06026	1.7
119.04921	0.6
120.03806	0.3
120.04446	9.8
122.03628	43.2
123.03986	1.9
127.77983	0.3
135.04401	0.8
137.05956	100.0
137.09554	1.4
138.05450	5.1
138.06314	4.7
138.09102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
53.03922	1.8
55.01864	0.8
55.05504	6.6
57.03416	0.5
58.09720	0.5
65.03912	1.5
66.04719	2.3
67.05495	16.3
69.03413	1.3
69.07046	1.8
69.87341	1.8
69.87768	1.6
77.03893	0.7
79.05476	5.7
81.03383	1.5
81.07045	9.1
81.98083	0.4
82.06582	0.5
83.04967	0.5
83.83831	0.5
89.95403	0.4
91.05469	9.8
92.04977	1.0
92.05766	1.0
93.07031	5.9
94.04173	23.0
94.06528	1.6
94.07368	0.5
95.04966	6.9
95.08592	10.3
96.04467	1.5
98.20781	1.0
105.06980	0.6
107.04903	2.1
107.08585	3.7
108.70463	0.4
109.06506	4.2
109.10149	11.0
110.06010	3.4
110.10439	0.5
111.04413	0.5
119.04926	1.8
119.08553	3.1
120.04455	1.1
122.03630	42.9
122.07241	1.8
123.03953	2.0
124.03987	0.5
126.81139	0.5
137.02502	3.8
137.05949	100.0
137.09578	14.4
137.13200	0.7
138.01730	1.4
138.05457	15.6
138.06334	4.8
138.09109	2.7
138.10042	0.6
142.51207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.82743	0.3
53.03936	0.6
55.01846	0.4
65.03899	0.9
66.04704	2.6
67.05482	1.3
70.15967	1.9
70.16377	0.6
71.71777	0.4
79.05479	2.7
81.07068	2.3
91.05460	3.1
93.07036	0.8
94.04169	23.9
95.04466	0.8
95.05003	0.9
95.08598	1.4
105.04485	0.4
107.04922	1.1
109.06493	1.1
110.06027	0.5
113.98562	0.4
119.04919	0.7
119.98767	0.3
120.96850	0.4
122.03629	44.7
123.03943	1.8
137.05954	100.0
137.09557	1.1
138.05437	3.0
138.06311	5.4
138.09148	0.6
159.43837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03931	1.2
55.01870	0.9
65.03915	1.1
66.04711	2.5
67.05492	2.5
68.95542	0.4
69.03408	0.5
70.77559	0.7
70.77930	0.9
79.05473	2.6
81.03419	0.5
81.07050	4.7
81.35173	0.3
91.05467	15.3
92.05798	0.7
93.07045	0.9
94.04177	22.5
94.06559	0.8
95.04427	0.6
95.04959	1.4
95.08596	2.3
107.04924	1.2
109.06493	1.8
109.10131	2.2
110.06019	0.8
119.04929	5.1
122.03635	40.3
122.07294	0.9
123.03970	1.6
133.09868	0.4
135.04413	0.5
137.05960	100.0
137.09511	2.0
137.13211	0.6
138.05457	5.2
138.06331	4.6
138.09047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02385	0.3
53.03924	0.6
55.01873	0.5
65.03920	0.8
66.04716	2.6
67.05499	0.6
74.20186	0.3
75.13851	0.3
77.03902	0.4
79.05487	2.5
81.07047	1.6
91.05473	3.0
93.03397	0.4
94.04173	26.8
95.04458	0.7
95.04992	0.9
98.21486	0.5
105.03387	0.8
107.04913	1.7
109.06496	0.8
122.03629	45.0
123.03950	2.3
135.04366	0.7
137.05957	100.0
138.05389	0.4
138.06303	5.7
151.33800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02387	0.4
53.03958	0.7
55.01882	0.5
56.96582	0.6
65.03952	1.4
66.04711	2.0
67.05511	1.3
68.53857	0.3
69.91504	2.1
77.03943	0.7
79.05478	2.9
81.03408	0.4
81.07028	2.2
91.05469	4.2
92.05012	0.6
93.07040	1.3
94.04172	29.3
94.06552	1.0
95.04452	0.7
95.05003	1.8
95.08598	0.7
105.03365	0.5
107.04948	1.2
109.06470	1.8
110.06045	1.2
119.04942	0.6
122.03629	45.3
123.03934	1.9
135.04335	0.4
137.02405	1.1
137.05945	100.0
138.01630	0.4
138.05453	8.8
138.06329	4.2
138.09109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.2
58.01003	0.1
65.50817	0.2
66.11458	0.1
67.02975	0.2
70.09822	0.7
79.00449	0.1
83.00769	0.3
91.05478	0.9
92.02467	0.4
94.04049	2.3
98.21330	0.2
109.05119	0.3
112.05071	0.3
119.01875	0.3
119.03539	5.7
119.04855	0.3
119.23891	0.1
120.03880	0.1
131.01875	0.2
136.06174	100.0
137.04588	4.4
137.06660	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02364	0.5
53.03926	0.6
55.01854	0.4
65.03922	1.4
66.04710	3.0
67.05503	2.4
69.03423	0.4
71.16599	1.0
79.05487	3.2
81.03378	0.5
81.07047	3.4
91.05466	4.3
93.07024	1.3
94.04177	23.1
94.06563	0.4
95.04436	0.5
95.05000	1.6
95.08599	2.9
99.17895	0.4
99.44838	0.3
104.18703	0.4
105.03317	0.4
105.04560	0.4
107.04954	1.6
109.06497	1.9
109.10152	0.9
110.06007	1.0
119.04940	0.6
122.03634	40.7
122.07221	0.6
123.03970	1.6
137.05959	100.0
137.09476	2.2
138.05444	4.6
138.06323	4.9
138.09129	0.7
138.26015	0.3
148.19113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03924	1.6
53.04190	0.4
55.01857	0.9
56.54921	0.4
65.03919	1.2
66.04707	2.6
67.05503	3.9
69.03401	0.7
71.78999	0.7
78.78462	0.4
79.05157	0.3
79.05490	3.9
81.03381	0.9
81.07048	6.7
82.06561	0.8
82.07350	0.6
87.81624	0.5
91.05477	6.8
92.04984	1.0
92.05766	0.7
93.05779	0.7
93.07018	3.3
94.04173	23.9
94.06551	1.2
95.04422	0.9
95.05000	2.8
95.08588	5.0
96.04475	0.6
97.41022	0.4
102.89477	0.5
105.03363	0.5
107.04946	1.0
109.06501	3.3
109.10123	1.7
110.06030	3.2
119.04902	1.3
119.08551	0.6
120.04438	1.5
121.02761	0.4
122.03630	44.2
122.07262	1.2
123.03964	1.7
127.30605	0.4
130.61725	0.5
133.62567	0.5
137.02507	6.7
137.05948	100.0
137.09502	3.4
137.13228	1.2
138.01772	2.4
138.05455	11.8
138.06339	5.1
138.08191	0.4
138.09077	3.2
138.09985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23580	0.4
50.63686	0.3
53.03918	1.0
55.05487	1.6
57.07074	0.4
63.48285	0.3
65.03915	0.7
67.02995	0.4
67.05501	0.5
69.07058	0.5
79.05471	2.6
80.04996	0.6
81.07050	0.5
91.05459	6.7
93.04469	0.5
93.05775	5.4
93.07029	9.2
94.04024	1.3
94.07351	0.4
95.04947	1.8
98.20592	0.7
105.06993	3.0
107.08576	15.1
108.04469	0.6
108.08157	0.6
108.08910	1.3
109.01085	4.8
109.06489	1.6
118.06411	0.5
119.03520	2.5
119.08553	1.6
120.09385	0.7
121.08873	0.9
135.05537	0.5
135.06573	0.4
135.09161	0.8
135.11670	6.4
136.02139	100.0
136.06161	43.1
136.07535	10.3
136.11157	3.7
137.04605	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	135.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45606	0.3
51.61660	0.3
53.03923	1.3
55.05502	1.8
58.21843	0.4
65.03908	0.7
67.05460	0.6
68.05019	0.5
69.07044	0.9
69.56474	3.8
79.05482	3.9
80.04989	0.6
81.07017	0.7
82.50074	0.4
91.04913	0.6
91.05464	8.0
92.05777	0.7
93.04508	1.5
93.05774	2.6
93.06425	0.5
93.07028	10.3
94.04035	1.0
94.06552	0.6
94.07358	0.8
95.04951	2.0
95.06075	0.8
96.06834	0.7
105.04519	0.6
105.06999	3.2
107.04924	0.4
107.08575	21.3
108.04479	0.5
108.08152	0.8
108.08916	1.2
109.01086	5.4
109.06498	1.5
109.07619	0.8
118.06548	0.4
119.03549	1.8
119.06108	0.9
119.08569	3.0
120.09326	1.1
121.08862	0.6
133.10065	0.5
134.07112	0.6
135.04510	0.4
135.05527	0.9
135.06654	1.0
135.08022	0.8
135.09097	0.8
135.11673	9.0
135.84750	0.3
136.02145	100.0
136.05208	1.5
136.06168	43.3
136.07527	6.6
136.08655	2.3
136.11139	2.7
136.12077	0.7
137.04530	2.3
146.11674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.18878	1.1
53.03939	3.1
55.01860	2.0
55.05504	8.1
60.74830	0.8
62.23707	0.9
65.03918	1.7
67.05496	2.8
69.03421	1.7
69.07053	3.1
69.61180	9.0
70.71033	0.8
79.05484	21.7
80.05842	1.4
81.07041	3.3
81.12997	0.9
89.03931	1.9
91.05467	29.4
93.05796	1.4
93.07032	41.6
94.04050	1.8
94.07307	1.2
95.04939	8.8
98.20673	1.1
105.04491	1.3
105.07011	13.5
105.95300	0.9
107.04958	6.2
107.08576	100.0
108.08174	1.5
108.08881	6.1
109.01081	2.8
109.06482	6.5
115.05451	2.1
117.07005	3.0
118.06551	1.3
119.03516	2.9
119.06053	2.2
119.08546	7.4
120.09361	3.0
120.27175	0.9
135.04404	5.8
135.05382	1.5
135.08035	8.1
135.11678	29.1
136.02150	53.0
136.03922	2.6
136.05194	3.0
136.06177	68.1
136.07544	10.4
136.12004	3.4
137.04581	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96553	0.2
58.01003	0.1
65.50817	0.2
66.11458	0.1
67.02975	0.2
70.09822	0.7
79.00449	0.1
83.00769	0.3
91.05478	0.9
92.02467	0.4
94.04049	2.3
98.21330	0.2
109.05119	0.3
112.05071	0.3
119.01875	0.3
119.03539	5.7
119.04855	0.3
119.23891	0.1
120.03880	0.1
131.01875	0.2
136.06174	100.0
137.04588	4.4
137.06660	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.37081	1.0
53.03932	3.8
55.01859	2.2
55.05500	6.7
57.07051	1.1
65.03926	2.3
67.05497	1.7
68.05023	1.0
69.07040	3.6
70.73463	2.0
79.05479	24.2
80.05000	1.5
80.05814	2.0
81.07047	3.8
89.03900	7.9
90.04723	1.0
91.05460	41.5
92.05784	2.5
93.05775	4.0
93.07027	54.9
94.04009	1.5
94.07349	2.7
95.04961	10.3
95.60348	1.0
105.04501	1.7
105.07021	16.0
106.07311	1.2
107.04942	14.1
107.08572	92.9
108.04438	1.8
108.08183	1.9
108.08919	6.9
109.01083	4.5
109.06494	7.2
115.05417	2.6
117.03365	3.1
117.06980	3.3
118.06577	1.2
119.03520	3.2
119.06037	2.1
119.08563	14.0
120.09319	3.9
135.04410	20.8
135.05432	1.6
135.08034	13.4
135.11671	42.7
136.02141	70.9
136.03911	4.5
136.05142	6.2
136.06157	100.0
136.07530	11.4
136.12022	3.1
137.04565	4.2
137.09613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03926	6.5
55.05504	27.8
56.04428	1.4
58.69313	1.4
63.50396	1.5
65.03925	2.8
67.05481	8.4
69.07060	14.1
71.48487	3.5
79.05484	50.8
80.05815	1.8
81.07041	8.1
82.07376	1.5
91.05470	46.2
92.05782	1.8
93.07033	90.1
94.04020	1.9
94.06772	1.5
94.07353	5.4
94.07861	3.2
95.04950	14.7
96.23419	1.6
103.09574	1.3
105.04499	2.9
105.07018	14.5
107.04955	9.8
107.08582	100.0
108.08907	5.1
109.01064	2.2
109.06496	5.6
119.03562	4.3
119.06054	2.3
119.08552	6.2
135.04424	5.5
135.08128	6.9
135.11674	41.9
136.02142	73.4
136.03900	4.3
136.05164	7.3
136.06172	84.7
136.07538	14.9
136.12035	3.5
137.04591	3.0
139.13341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03928	4.4
55.05503	17.1
64.11575	1.5
67.05473	4.3
69.07059	13.8
79.05479	41.1
81.07032	5.6
91.04911	1.9
91.05468	34.2
93.05772	7.9
93.07033	70.3
94.04061	2.0
94.07315	3.6
94.07841	3.7
95.04949	7.6
98.20650	4.2
100.95959	1.4
105.07036	10.0
105.77571	1.7
107.04944	2.0
107.08580	68.3
108.08206	1.6
108.08893	5.9
109.06508	3.2
119.03515	4.3
119.08580	4.7
120.09353	1.7
135.04359	4.0
135.06580	1.6
135.07974	1.7
135.11676	26.1
136.01132	3.1
136.02153	50.0
136.05232	5.2
136.06161	100.0
136.07538	14.2
136.11124	2.3
136.12077	2.4
137.04570	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	4.5
55.01863	1.1
55.05503	13.4
61.62953	0.9
66.99657	1.1
67.05492	10.1
69.07053	8.1
70.07870	2.0
70.08285	4.6
79.05486	45.6
80.05803	1.3
81.07046	12.7
82.07329	0.9
88.43921	1.0
91.05468	20.9
92.05800	1.1
93.05788	7.9
93.07029	68.6
94.04005	2.3
94.06522	1.3
94.07356	2.7
95.04958	7.9
105.04481	1.3
105.07001	6.3
107.04932	4.4
107.08578	57.9
108.04463	1.2
108.08090	3.0
108.08931	4.3
109.01097	4.4
109.06531	3.4
118.06526	1.4
119.03506	5.3
119.08556	3.1
120.09344	1.3
127.46799	1.0
128.03078	0.8
133.57362	1.0
135.04404	4.0
135.05473	2.4
135.08038	2.8
135.11671	49.4
136.02145	69.6
136.03925	3.8
136.05196	6.0
136.06166	100.0
136.07535	18.0
136.11174	2.9
136.12032	4.1
137.04587	4.8
140.11618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
54.03455	0.6
54.37784	0.3
55.05482	0.9
55.86051	0.2
56.05013	0.3
65.03925	0.6
67.02968	1.1
67.04224	0.3
67.05499	0.3
68.05008	2.6
69.07048	0.5
71.28916	0.6
79.05478	2.3
80.04996	0.9
81.03392	0.3
81.04508	0.6
81.07023	0.6
82.06559	0.5
83.06083	0.3
84.03231	0.3
91.05466	5.1
92.04974	0.3
92.05795	0.3
93.04514	3.7
93.05773	3.3
93.07025	6.4
94.04034	0.9
94.05316	1.5
94.06556	1.3
94.07358	0.3
95.04979	1.8
95.06074	5.6
95.07334	0.4
96.06867	2.9
100.42020	0.2
105.04486	0.3
105.07014	2.2
106.06516	0.3
107.04916	0.6
107.06084	0.5
107.08580	11.2
108.05598	1.5
108.06839	0.5
108.08092	0.7
108.08900	0.8
109.00418	0.4
109.01098	5.3
109.06461	0.9
109.07623	5.4
111.05544	0.3
117.06974	0.3
118.06560	0.3
119.03539	1.2
119.06054	0.8
119.08574	1.5
120.09387	0.3
121.06383	0.5
121.08911	0.6
134.07121	2.1
135.04395	0.9
135.05524	0.8
135.06638	6.4
135.07892	2.0
135.09140	1.1
135.10078	0.4
135.11676	6.1
136.02144	100.0
136.05072	1.7
136.06166	25.1
136.07544	7.0
136.08673	12.9
136.11116	2.3
136.12015	0.3
137.04521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
54.03455	0.6
54.37784	0.3
55.05482	0.9
55.86051	0.2
56.05013	0.3
65.03925	0.6
67.02968	1.1
67.04224	0.3
67.05499	0.3
68.05008	2.6
69.07048	0.5
71.28916	0.6
79.05478	2.3
80.04996	0.9
81.03392	0.3
81.04508	0.6
81.07023	0.6
82.06559	0.5
83.06083	0.3
84.03231	0.3
91.05466	5.1
92.04974	0.3
92.05795	0.3
93.04514	3.7
93.05773	3.3
93.07025	6.4
94.04034	0.9
94.05316	1.5
94.06556	1.3
94.07358	0.3
95.04979	1.8
95.06074	5.6
95.07334	0.4
96.06867	2.9
100.42020	0.2
105.04486	0.3
105.07014	2.2
106.06516	0.3
107.04916	0.6
107.06084	0.5
107.08580	11.2
108.05598	1.5
108.06839	0.5
108.08092	0.7
108.08900	0.8
109.00418	0.4
109.01098	5.3
109.06461	0.9
109.07623	5.4
111.05544	0.3
117.06974	0.3
118.06560	0.3
119.03539	1.2
119.06054	0.8
119.08574	1.5
120.09387	0.3
121.06383	0.5
121.08911	0.6
134.07121	2.1
135.04395	0.9
135.05524	0.8
135.06638	6.4
135.07892	2.0
135.09140	1.1
135.10078	0.4
135.11676	6.1
136.02144	100.0
136.05072	1.7
136.06166	25.1
136.07544	7.0
136.08673	12.9
136.11116	2.3
136.12015	0.3
137.04521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0711
Annotation	5-Methyl-1H-benzotriazole
Peak:m/z	Relative Intensity
51.76109	0.2
52.46978	0.1
53.03930	0.8
55.01859	0.3
56.96564	0.3
57.03418	0.3
61.63300	0.2
65.03932	0.9
67.05477	0.3
69.03423	0.3
70.06590	0.3
71.04972	0.2
74.02426	0.5
79.05480	3.8
80.04980	0.3
81.03397	0.2
86.09682	0.2
87.05565	0.2
88.02192	0.3
88.03983	0.4
89.03904	0.7
91.05461	1.2
92.04414	0.3
92.04993	5.7
93.05756	0.6
93.07023	1.3
95.04957	1.9
105.03328	0.2
105.04477	0.2
105.06999	0.6
106.06535	1.0
106.07333	0.4
107.04941	6.8
107.06015	1.1
107.08575	2.5
109.06486	0.2
115.05419	0.3
117.03339	0.2
117.07000	0.2
118.03456	0.2
118.83052	0.1
119.01842	0.2
133.06311	0.2
134.07115	100.0
135.04405	6.6
135.05464	0.9
135.06725	0.3
135.07408	4.0
135.09158	0.3
135.11652	1.0
153.05406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03932	4.2
55.01864	10.9
55.05502	2.8
65.03938	7.4
67.05489	6.8
69.03423	16.9
70.14314	7.0
79.05484	44.0
80.05812	1.6
91.05466	72.3
92.05798	2.3
93.05757	2.0
93.07034	17.5
94.04033	2.6
95.04972	9.7
105.04522	1.7
105.06326	1.7
105.07023	27.4
106.07354	2.9
107.04933	13.6
107.08578	65.6
108.04487	2.6
108.08155	2.0
108.08919	3.0
109.01054	5.6
109.06497	15.2
115.05445	22.1
117.07001	23.0
119.03554	4.9
119.05198	1.1
119.06026	6.0
119.08555	4.2
135.04408	11.6
135.05420	2.1
135.08044	60.1
135.11679	10.0
136.02151	100.0
136.03908	5.4
136.05165	5.9
136.06161	90.2
136.07524	12.9
136.08376	2.1
136.11205	3.1
137.04578	4.0
138.07974	1.2
138.11537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.66539	0.4
53.03921	0.6
55.05511	1.7
55.93929	0.4
56.07877	0.4
60.13629	0.3
67.05484	0.6
69.52020	3.9
74.02435	0.5
79.05480	4.5
89.66113	0.4
91.05468	15.0
92.05776	0.6
93.07030	4.5
95.04950	1.2
100.88931	0.3
103.05494	2.0
105.07018	45.2
106.07345	2.0
107.08595	1.3
115.05443	4.4
116.06226	1.2
117.07021	4.9
118.07788	5.8
120.58083	0.4
123.07957	0.7
123.25542	0.4
131.08566	6.6
133.02843	0.6
133.06490	4.2
133.10114	100.0
134.05998	1.1
134.10451	6.8
154.58511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01653	1.7
53.03960	2.1
53.67318	2.0
55.01865	4.9
56.96559	12.2
57.03429	71.6
58.99854	4.4
59.52186	3.4
61.02927	9.3
68.02610	3.1
68.98257	2.5
69.01908	3.6
69.03414	13.3
69.60278	16.8
70.99887	1.8
71.04926	1.8
71.52175	1.9
71.53039	1.8
72.52951	6.9
73.02903	25.6
77.00912	3.3
77.52150	4.2
78.52933	10.8
79.05486	2.4
79.51914	3.6
80.52698	4.7
81.03393	9.8
81.53483	3.8
82.01440	8.1
84.52946	4.5
85.02908	9.2
85.51920	2.4
85.53757	10.0
86.03720	2.7
86.52689	49.6
87.02761	8.1
87.53452	3.1
88.02675	27.4
88.52815	4.7
90.08216	1.9
90.52953	2.2
92.52699	3.5
93.01859	9.4
93.53455	12.4
94.54275	3.8
95.04324	1.9
95.53207	31.2
96.03303	3.0
96.53047	3.9
97.02834	4.0
98.52639	3.7
98.97575	7.1
99.53465	7.8
100.02469	46.1
101.00877	30.4
101.02558	5.6
101.53216	5.6
102.00991	3.7
102.02386	24.6
102.52438	3.3
103.00631	3.3
103.02443	2.7
105.00360	3.0
105.59431	1.9
107.53236	2.7
108.53979	3.8
109.02879	3.8
110.54476	2.5
111.02152	3.9
111.02904	23.2
111.52894	3.3
112.01005	3.1
112.02762	2.2
113.00850	7.7
113.53177	9.2
114.09102	2.2
115.02412	10.9
116.98659	4.3
118.03524	26.7
119.01902	87.3
120.01933	10.7
120.03370	5.4
121.01581	12.8
122.52881	2.5
122.53712	6.7
123.03960	2.9
124.02419	20.2
125.02563	2.3
127.03922	2.6
128.01845	2.2
131.01889	43.6
131.54243	4.9
132.01971	4.4
133.01665	4.1
133.03426	11.7
134.06105	2.9
134.99649	3.2
136.02463	3.0
137.02921	13.7
142.03481	100.0
143.01898	16.8
143.03624	14.6
144.02081	2.4
144.03246	6.2
145.03455	7.7
147.01372	2.2
147.04993	3.6
149.02902	9.3
154.03474	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	1.2
55.01860	0.6
55.05501	2.2
56.08358	0.3
61.47823	0.3
69.69427	2.4
70.06590	0.5
70.53285	0.3
73.02922	0.4
74.02445	0.4
75.28948	0.3
77.03917	0.7
79.05482	6.2
84.31950	0.3
91.05463	16.7
92.05789	0.5
92.06301	0.4
93.07030	4.2
95.04951	1.8
103.05470	3.2
105.03423	0.4
105.07013	54.8
106.06613	0.7
106.07345	1.9
107.08578	1.0
112.02202	0.4
114.64415	0.4
115.05433	4.1
116.06250	0.8
117.07006	4.8
118.04105	0.6
118.07790	5.3
123.07936	0.8
129.06953	0.5
129.97723	0.3
131.08553	6.3
132.08858	0.4
133.02852	1.2
133.06503	9.0
133.10106	100.0
134.05981	0.8
134.06868	0.8
134.10457	5.5
139.43143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.45704	0.7
53.03927	0.7
55.05488	2.1
63.11325	0.5
67.54442	0.6
70.13165	3.1
79.05479	4.3
91.05467	18.5
93.07026	5.1
95.04961	1.3
99.61864	0.7
103.05461	2.2
105.07014	54.8
106.07343	1.7
107.08566	1.1
115.05440	4.9
116.06210	0.9
117.07014	4.6
118.07806	6.0
123.07938	0.9
124.00733	0.6
129.06982	1.3
131.08546	9.5
133.06477	2.4
133.10110	100.0
134.06018	0.8
134.10461	5.3
148.31744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03931	0.9
54.43756	0.5
55.05499	1.2
70.06580	1.0
74.02435	1.0
75.84967	0.5
79.05485	4.1
82.48463	0.6
87.10022	1.1
88.02218	0.8
88.03984	0.6
91.05468	14.5
91.06035	0.8
92.05792	0.8
93.07039	2.7
95.04946	0.9
103.05470	2.1
103.07714	0.5
105.07018	100.0
106.06655	0.8
106.07343	5.0
112.02177	0.9
115.05441	1.9
115.67342	0.5
117.07023	6.6
118.07799	5.2
123.07930	1.0
131.08536	5.3
133.02847	0.7
133.06483	2.2
133.10110	49.7
134.05988	2.5
134.06989	1.1
134.09569	1.0
134.10477	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03934	0.6
55.05490	2.0
56.96541	0.4
65.03920	0.5
65.53358	0.4
67.05479	0.4
70.67529	0.4
71.52045	0.8
73.02881	0.5
77.03895	0.8
79.05476	5.0
81.04514	0.5
87.10017	0.5
91.04911	0.8
91.05466	13.6
92.05787	0.8
93.07026	4.2
95.04920	0.9
97.02850	0.6
97.06492	0.5
103.05456	2.4
105.07011	45.7
106.06656	0.5
106.07310	2.5
107.08588	1.4
112.02184	0.9
115.05454	4.5
116.06205	0.7
117.07004	5.0
118.04220	0.5
118.07799	5.6
123.07924	1.0
126.26935	0.5
129.06947	0.7
131.08546	8.1
133.02843	1.1
133.06528	5.0
133.10104	100.0
134.05937	0.8
134.07089	0.5
134.10443	6.1
151.47139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1225
Annotation	N-Methylhexanamide
Peak:m/z	Relative Intensity
56.89401	0.1
56.96563	0.2
57.05825	0.1
58.06590	7.9
60.05640	2.5
61.02965	0.1
61.57378	0.1
67.05485	0.2
69.09666	0.1
70.06592	0.1
71.07347	0.2
71.23336	0.2
71.23685	0.2
72.08145	8.0
84.04515	0.2
84.08135	2.1
85.08437	0.2
85.08906	0.2
86.06031	0.1
86.58176	0.1
97.07648	0.5
98.97568	0.1
112.11255	0.2
114.09162	0.9
114.10268	1.8
114.95368	0.1
115.09940	0.5
130.12262	100.0
131.12596	3.6
136.39844	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.95201	0.3
56.96562	0.8
65.12814	0.4
69.07064	2.5
70.38659	2.0
73.08479	0.6
86.09697	100.0
87.09513	0.5
87.10027	2.9
98.20744	0.4
98.97523	0.5
108.56929	0.5
132.10164	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05496	3.0
59.83047	0.9
60.04516	1.1
61.60879	1.0
65.03930	1.0
67.05474	1.0
69.03410	1.1
70.06583	2.9
71.78903	1.0
71.79309	1.4
74.02424	1.6
79.05484	6.7
87.10014	1.7
88.02200	2.7
91.05465	24.1
92.05783	1.3
93.07014	5.0
95.04939	2.1
103.05455	3.0
105.07018	77.7
106.06626	1.1
106.07346	5.2
111.75860	1.0
112.02164	1.4
115.05404	5.9
116.06213	1.7
116.07008	1.5
117.06992	6.2
118.07799	7.1
123.07927	1.4
131.08563	9.7
133.06487	3.7
133.07582	3.2
133.10110	100.0
134.05991	4.4
134.06972	1.8
134.09650	1.2
134.10474	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.22679	0.5
55.05511	2.7
67.05474	0.5
69.03415	0.9
69.65826	4.6
73.02918	0.6
79.05497	5.4
91.05470	17.4
92.05792	0.7
93.07039	5.3
95.04961	0.8
103.05462	2.9
105.03397	0.7
105.07023	61.8
106.06644	0.7
106.07359	3.8
107.08569	1.0
115.05445	5.0
116.06226	1.5
117.06996	5.7
118.07792	6.3
123.07884	0.5
129.07066	0.8
131.08560	8.6
133.02840	1.5
133.06604	2.7
133.10118	100.0
134.05981	0.9
134.10457	6.6
136.29893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48180	0.4
53.03929	1.5
55.05495	2.9
57.07069	5.9
64.83720	0.5
65.03910	0.9
67.05494	13.3
69.07057	2.9
71.15434	1.5
78.03436	0.8
79.01864	0.6
79.05480	10.1
80.05009	7.5
81.07041	100.0
82.07361	3.1
83.08592	0.6
93.07009	2.0
95.04950	4.0
95.08587	16.8
96.04476	22.5
96.08128	0.5
96.08889	0.5
98.21292	0.5
100.02441	0.7
112.03923	2.0
118.03465	0.7
119.01984	0.5
120.16223	0.5
121.10105	1.0
123.04448	2.1
123.05530	19.7
123.08025	3.6
123.11687	38.7
124.03931	41.5
124.07542	1.6
124.12015	3.1
125.10062	0.5
140.03419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40689	0.7
53.03928	2.2
55.05502	19.6
56.05027	4.7
57.04543	0.8
57.07068	6.4
58.06584	3.2
59.05822	0.9
59.06113	8.2
67.05498	1.4
68.05015	8.7
69.03410	0.9
69.04546	1.3
69.07056	100.0
69.85449	6.1
70.06580	4.3
70.07396	3.0
79.05473	1.5
80.04999	9.3
81.03416	1.1
81.04526	1.5
81.07036	4.0
82.06569	9.2
83.04988	1.0
83.06088	24.4
83.07356	2.0
83.08605	23.3
83.91783	0.7
84.04494	6.0
84.05609	5.0
84.06409	3.8
84.08115	9.0
84.08943	0.8
85.04020	2.1
85.07661	6.5
86.08451	1.4
91.05476	0.9
96.04525	0.8
96.08124	2.4
97.02900	1.3
97.04836	2.7
97.07657	4.3
97.37101	0.8
98.06029	4.1
98.07162	1.2
98.09673	2.0
99.09251	0.8
107.06077	0.9
108.04463	9.5
108.06351	0.8
108.08086	4.3
109.06526	2.0
109.07627	10.7
125.02309	1.8
125.04258	6.0
125.06042	2.7
125.07125	13.3
125.08244	32.9
125.09062	60.6
125.10658	11.0
126.05520	26.9
126.06625	12.0
126.07664	2.5
126.09190	10.4
126.10272	31.7
126.12793	1.3
132.41507	0.7
139.17322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1116
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03936	5.0
55.01865	7.3
55.05503	13.2
56.05013	1.7
57.03408	2.1
57.07053	0.9
58.06577	2.8
60.04504	1.1
65.54768	1.1
67.05490	9.9
68.05003	1.0
69.03410	2.4
69.07052	17.8
69.66347	7.4
70.06564	3.9
71.04604	1.0
71.04980	14.0
72.04520	1.0
74.02411	1.9
80.86677	0.8
81.03400	6.9
81.07036	6.0
82.06562	32.3
83.04960	1.5
83.08606	12.3
84.08121	4.2
86.06039	7.3
86.09692	2.9
99.04440	4.7
99.58643	0.8
100.07597	10.8
109.02856	10.5
109.06493	1.4
109.10133	28.6
110.06016	4.0
110.09699	1.1
110.10484	2.3
127.03892	100.0
127.08641	2.9
127.09510	1.5
127.11214	1.6
127.12165	1.1
128.02640	1.0
128.03403	2.9
128.04272	4.9
128.06226	1.0
128.07053	28.0
128.08128	2.3
128.10672	10.5
128.14320	16.8
149.85896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	2.3
55.05507	7.6
56.05009	3.5
57.03415	2.6
57.07052	5.0
59.05002	10.5
63.64727	1.0
65.03929	1.4
67.05498	8.2
69.03419	28.3
69.07059	74.8
70.06579	3.6
70.07386	1.8
70.34051	1.5
70.34393	4.8
71.04964	4.1
72.08167	1.6
74.09695	3.6
79.05464	3.9
82.06567	2.2
83.04966	3.7
83.08595	1.7
84.04494	28.6
84.08132	97.1
85.06537	7.6
92.60617	1.2
95.22697	1.3
111.04441	2.1
111.08064	3.1
112.07592	100.0
112.11213	2.6
129.01825	23.3
129.04396	1.3
129.05432	4.0
129.07430	1.3
130.04967	5.2
130.06526	7.4
130.08623	53.8
130.15887	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	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67550	0.4
51.01569	0.5
52.29519	0.5
53.03934	1.4
55.05510	3.0
57.07071	5.9
62.86065	0.5
65.03945	0.5
67.05496	14.6
68.05036	0.4
69.03436	1.1
69.07063	2.8
71.13306	0.5
78.03416	0.9
79.01837	0.9
79.05481	12.0
80.04573	0.8
80.05013	9.9
81.03401	0.7
81.07045	100.0
82.07383	4.7
83.54718	0.4
88.02356	0.7
93.07020	2.1
94.06540	0.6
94.07800	1.1
95.04967	6.6
95.08591	15.3
96.04485	26.2
96.08103	2.0
96.08940	0.6
100.02450	0.8
104.45789	0.5
105.07005	0.6
106.02905	0.6
112.03967	2.5
118.03546	0.8
121.10133	1.7
123.04450	2.3
123.05537	26.1
123.08038	4.5
123.09051	1.0
123.11692	39.0
124.03937	51.7
124.05859	1.6
124.07544	2.9
124.12019	2.0
134.22389	0.5
136.93503	0.5
140.03386	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	123.1168
Annotation	Santene
Peak:m/z	Relative Intensity
50.63906	0.5
53.03925	1.0
55.05500	3.3
57.07065	6.5
65.03937	0.7
67.05492	12.7
68.05842	0.5
69.07053	2.6
69.51300	0.8
69.51701	4.1
77.77324	0.4
79.05482	10.4
80.05000	6.4
80.05791	0.4
81.07042	100.0
82.07365	3.1
91.05457	0.5
93.07030	1.2
94.06576	0.5
94.07838	1.3
95.04962	3.1
95.08589	15.9
96.04476	15.4
96.08914	0.6
100.55801	0.5
105.06985	0.5
108.09388	0.6
112.03959	1.7
118.03503	0.6
121.10109	1.1
123.04477	1.5
123.05530	15.1
123.08046	2.9
123.11685	43.8
124.03931	28.2
124.05882	1.0
124.07560	1.2
124.12016	2.5
140.03406	1.0
142.63010	0.5
144.82143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.05502	3.5
57.07069	6.0
65.03947	0.8
67.05137	0.8
67.05495	14.1
68.05834	1.0
69.07064	2.5
69.38175	0.5
69.44910	4.1
69.45335	2.1
78.03445	1.2
79.05486	11.1
80.05007	11.0
80.05816	0.6
81.07043	100.0
82.07366	3.0
93.07029	1.8
94.07835	0.7
94.83981	0.8
95.04949	9.4
95.08594	12.7
96.04480	33.4
96.08121	1.2
96.08918	0.7
100.02460	2.0
105.07024	0.8
106.02879	0.6
106.06551	0.7
112.03951	2.7
118.03537	1.2
121.10104	1.5
123.04449	3.9
123.05534	31.2
123.08055	7.8
123.11689	33.0
124.03934	55.9
124.05833	1.5
124.07573	3.4
124.08383	0.9
124.12022	1.2
140.03409	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	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
51.02364	0.9
53.03928	3.4
55.01854	0.7
55.05495	5.0
57.07067	6.9
59.16170	0.7
65.03915	1.0
67.05498	15.4
68.05032	0.8
69.07049	3.0
71.78465	0.7
71.78890	0.9
78.03445	0.9
79.05489	13.3
80.05014	9.7
81.07046	100.0
82.07371	3.3
93.07031	1.9
95.04956	25.8
95.08598	18.6
96.04482	29.2
100.02460	3.3
105.04541	1.0
105.07007	1.1
110.99513	0.7
112.03945	2.8
118.03539	1.6
121.10146	1.2
123.04420	12.0
123.05535	29.9
123.08045	8.8
123.11689	40.9
124.03941	59.3
124.07557	2.9
124.12016	2.5
137.17987	0.7
140.03398	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	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
54.87253	0.5
55.05495	4.2
57.07066	6.6
65.03938	1.0
67.05496	12.9
69.07061	2.3
71.55025	1.0
78.03448	0.7
79.01844	1.0
79.05481	11.3
80.05007	6.2
81.07040	100.0
82.07372	3.6
91.05479	0.6
93.07030	1.2
94.07806	0.9
95.04948	4.5
95.08595	16.6
96.04475	22.2
96.08118	0.7
100.02437	0.5
105.07046	0.6
106.06474	0.5
112.03960	1.3
121.10150	1.1
123.04441	2.9
123.05524	19.5
123.08049	3.6
123.11685	39.4
124.03931	36.2
124.07605	1.3
124.11993	2.7
137.41684	0.6
140.03406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Santene
Peak:m/z	Relative Intensity
53.03937	1.0
55.05501	3.9
57.07070	5.8
62.75622	0.5
64.34643	0.6
65.03917	0.8
66.25197	0.5
67.05492	13.6
69.07059	3.5
71.54433	1.0
78.03381	0.6
78.64888	0.5
79.05476	10.5
80.05005	3.6
80.05773	0.5
81.07039	100.0
82.07365	3.2
91.05408	0.5
93.07054	1.6
94.07785	0.5
95.04956	2.2
95.08584	15.6
96.04477	11.7
96.08928	1.1
110.17213	0.7
112.03927	0.9
118.88753	0.5
121.10139	1.5
123.04546	0.8
123.05530	11.3
123.06414	0.9
123.08064	1.8
123.11681	39.8
124.03931	20.4
124.07623	0.7
124.12028	2.0
140.03419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52666	0.7
50.61809	0.6
51.16824	0.6
53.03938	1.2
55.05492	3.4
57.07071	6.7
58.65705	0.6
67.05495	11.3
69.07060	2.6
69.78906	5.0
79.05482	10.8
80.04996	2.2
81.07045	100.0
82.07381	3.3
93.07002	1.3
95.04963	0.8
95.08597	14.0
96.04475	7.0
96.08940	1.0
106.37627	0.7
121.10095	1.6
123.04569	1.1
123.05547	6.1
123.11694	35.9
124.03928	10.8
124.12009	1.4
139.84331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Santene
Peak:m/z	Relative Intensity
53.03939	1.3
55.05514	2.7
57.07066	6.6
59.25183	0.5
61.40104	0.5
63.07227	0.5
63.20882	0.4
67.05492	13.0
69.07054	2.8
70.33136	0.6
70.33469	2.5
78.03424	0.7
79.05481	11.9
80.05006	8.3
81.07043	100.0
82.07391	4.3
88.29238	0.5
91.94849	0.5
93.07037	1.2
94.07806	1.4
95.04950	3.8
95.08591	16.3
96.04480	19.4
96.08905	1.4
98.21436	0.7
107.46560	0.5
108.09338	0.8
112.03921	1.6
119.42936	0.7
121.10123	1.9
123.04477	1.2
123.05530	17.4
123.08041	3.1
123.11686	38.6
124.03934	39.3
124.07556	2.5
124.12023	2.0
140.03372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Santene
Peak:m/z	Relative Intensity
52.91698	0.5
53.03941	1.4
55.05504	4.1
57.07063	7.0
59.62213	0.5
59.71880	0.5
65.03912	1.0
67.05496	13.9
69.07071	2.8
71.15015	1.5
74.39729	0.5
78.03427	0.9
79.01803	0.5
79.05484	11.1
80.05009	6.9
81.07043	100.0
82.07379	4.0
93.07032	1.6
94.07850	0.6
95.04971	4.2
95.08597	16.2
96.04478	22.3
96.08106	0.5
100.02457	0.6
105.06985	0.8
106.02879	0.7
106.06472	0.5
108.09380	0.8
112.03939	2.2
113.53564	0.6
121.10104	2.0
123.04506	1.4
123.05534	19.5
123.06416	1.2
123.08039	4.0
123.11689	41.1
124.03935	39.5
124.07561	1.6
124.12039	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	123.1168
Annotation	Santene
Peak:m/z	Relative Intensity
53.03942	0.9
55.05501	3.4
57.07066	7.0
67.05497	11.3
69.07041	2.2
72.14616	0.8
78.03448	1.1
79.05486	10.4
80.05006	3.6
81.07048	100.0
82.07381	2.9
92.41080	0.8
93.07019	2.2
94.07834	0.8
95.04939	2.3
95.08598	15.9
96.04479	10.1
103.46178	0.9
112.03910	0.8
113.41811	0.8
121.10120	1.2
123.05531	10.0
123.08077	1.8
123.11694	42.3
124.03938	18.8
124.12029	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89331	0.9
58.99854	1.6
70.97902	0.9
71.00013	2.6
74.67373	1.0
77.00889	0.9
77.71600	1.0
82.01434	15.6
83.01528	1.7
100.02469	100.0
101.00877	9.6
101.02535	9.1
118.03503	68.7
119.01900	67.6
119.03596	6.6
123.04095	2.5
130.58665	0.9
137.01894	1.8
137.02933	28.9
141.05112	1.9
142.03508	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01859	1.0
56.96553	5.0
57.03424	2.2
58.99855	2.6
59.31978	0.7
61.02898	1.1
68.96226	0.6
69.03412	2.0
69.88386	4.6
71.15689	0.7
72.08088	0.6
73.02909	1.8
77.00899	2.1
78.52931	0.8
80.04980	1.7
81.03396	2.0
82.01423	15.2
83.01492	1.1
85.02898	1.6
86.15789	0.7
88.02673	1.7
88.52702	0.9
95.04947	1.9
96.04473	2.1
97.02856	0.9
99.53456	1.2
100.02464	100.0
101.00864	12.7
101.02547	7.2
102.02351	1.6
108.51260	1.0
109.02867	2.2
110.01302	0.9
111.02890	1.7
118.03500	64.5
119.01897	71.6
119.03586	4.4
121.01603	0.8
123.04366	5.5
123.05487	5.8
124.03949	2.7
124.77289	0.8
131.01909	1.9
133.03406	0.8
137.02936	31.3
141.05086	1.3
142.03496	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64477	1.0
53.03943	5.2
55.01860	2.6
55.05502	1.2
56.96296	1.8
56.96558	22.7
57.03420	1.5
58.99861	1.6
60.95826	1.7
67.05498	10.6
68.05012	2.6
70.06562	1.9
70.41127	5.0
70.98126	1.0
72.08147	1.1
73.02894	1.9
77.00834	1.5
77.03926	1.2
77.49326	1.1
78.03440	2.2
79.01864	1.5
79.05482	8.1
80.05009	30.1
81.03415	3.4
81.07048	7.5
82.01435	6.6
83.06080	1.5
84.01553	1.1
84.08147	2.8
91.00493	1.5
95.04957	37.1
95.08609	2.4
95.52351	1.2
96.01572	1.2
96.04480	57.3
96.08141	1.7
99.99966	1.4
100.01023	2.0
100.02470	51.7
101.00851	7.7
101.02563	4.7
105.03348	1.7
106.01018	3.4
106.02888	2.4
107.02527	1.1
108.51283	3.7
109.00492	3.6
109.02850	5.9
109.52074	1.3
110.01286	3.4
112.03927	4.3
118.01055	1.6
118.03509	41.3
119.01901	54.3
119.03635	3.1
120.03386	1.1
121.01494	1.6
123.04430	19.2
123.05541	99.8
123.08044	9.1
123.09064	1.6
123.11750	1.4
124.03937	100.0
124.05875	4.8
124.07587	5.7
124.08555	1.7
131.01889	1.7
137.02945	26.7
140.03407	3.3
141.05086	2.1
142.03484	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86895	0.5
53.08419	0.5
58.99854	1.7
61.02896	0.6
67.11991	0.5
70.99746	1.1
71.00120	1.2
73.02905	0.6
77.00878	1.1
79.05477	0.6
80.05019	1.2
80.32494	0.5
81.07020	0.7
82.01431	13.7
83.01514	0.6
83.92722	0.5
90.52951	0.6
95.04954	2.9
96.04483	4.0
100.02469	91.7
101.00867	11.3
101.02538	9.0
102.02219	0.5
102.02897	0.7
106.34376	0.5
108.49324	0.5
118.03500	58.4
119.01903	100.0
119.03594	6.4
120.50331	0.6
123.04146	1.8
123.05506	4.3
123.08029	0.6
124.03941	7.2
137.02937	46.9
141.05093	1.5
142.03482	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80332	0.9
55.01855	2.6
56.96556	1.5
57.03424	4.6
58.99849	3.6
60.02189	0.8
61.02914	5.6
67.95551	0.9
69.01917	1.4
69.03415	6.8
69.54480	8.2
69.54878	1.4
70.99839	1.4
73.02902	5.9
74.66772	0.9
77.00890	3.6
78.03451	1.4
78.52929	1.4
80.01463	0.9
80.05007	5.7
81.01891	1.6
81.03413	2.8
82.01433	16.8
85.02879	4.7
86.52682	2.2
88.02673	6.3
90.02397	1.5
92.52675	1.8
92.94997	0.8
93.01893	3.0
93.53448	3.1
95.01922	1.7
95.04974	1.4
96.02396	1.5
96.04486	3.3
97.02876	3.9
98.52663	1.8
99.53499	1.0
100.02470	100.0
101.00863	11.4
101.02537	7.2
101.11184	0.8
102.02377	5.2
102.52441	0.9
103.02303	1.2
104.52676	1.0
105.03410	1.0
106.02895	2.3
108.51335	1.0
109.02868	3.3
111.02895	5.8
111.52959	1.1
113.00860	1.7
115.02411	2.3
118.01129	2.1
118.03506	61.9
119.01904	62.2
119.03555	5.1
120.01993	1.7
120.03387	2.9
121.01660	3.2
122.53675	1.2
123.04404	7.3
123.05531	19.3
124.02450	1.1
124.03941	15.6
124.04794	0.6
124.07566	1.0
127.03834	1.0
129.29279	0.9
131.01924	11.4
133.03430	2.4
137.02946	21.2
141.05066	1.5
141.57188	0.8
142.03488	11.7
143.01878	3.1
144.03181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1011
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03926	10.2
55.05493	6.2
55.43907	2.5
56.05022	4.5
65.03931	37.5
67.05497	3.6
71.79634	3.4
72.56669	2.6
79.05482	52.0
80.04983	3.9
80.05801	4.9
81.07028	4.0
85.70779	2.5
91.05471	46.0
92.05818	2.2
93.03380	6.3
93.04531	3.3
93.05764	6.0
93.07031	96.7
94.06532	12.2
94.07368	4.4
95.04958	19.3
103.05454	26.0
104.05045	2.5
104.07088	3.9
105.03308	3.3
105.07014	87.8
106.07262	3.6
106.07858	4.5
107.07331	3.2
111.04404	9.5
119.08553	17.8
121.02848	69.5
121.03954	16.7
121.06522	24.2
121.07376	4.0
121.09235	5.2
121.10117	100.0
122.03164	4.3
122.06001	42.4
122.07120	8.3
122.09639	33.6
122.10460	6.7
123.08012	12.2
133.07579	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	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
54.46352	0.6
56.05024	1.6
65.03926	2.5
70.10197	0.5
71.01422	1.6
74.06055	1.9
79.05477	4.5
91.05464	9.1
92.04985	2.1
92.05801	7.2
93.07024	18.1
94.06578	0.9
95.04942	5.3
103.05448	48.6
104.05787	3.6
105.04523	1.0
105.07018	7.3
111.04433	0.9
118.06521	1.1
118.07338	1.5
119.08534	1.9
120.04475	2.7
120.05676	4.2
120.08086	100.0
120.08875	7.9
121.02854	2.0
121.03983	1.0
121.06506	4.5
121.08408	4.7
121.10135	8.4
123.08010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0445
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
51.54501	0.4
53.03940	1.0
55.01847	0.4
55.05498	0.4
56.05032	1.8
65.03932	30.5
66.04273	0.8
67.05502	0.6
68.05051	0.3
70.06590	0.5
70.91266	0.8
74.06067	2.3
79.05477	1.7
80.05018	0.5
88.89956	0.3
91.05467	5.8
92.04993	100.0
93.05323	3.9
93.07031	5.7
95.04962	2.1
102.05528	0.7
103.05453	5.9
103.50083	0.3
105.04484	0.5
105.07000	2.7
110.06030	3.3
111.04436	0.8
119.08569	0.3
120.04452	84.8
120.05483	3.2
120.08094	5.8
120.08884	0.7
121.02870	3.3
121.03985	1.4
121.04773	3.6
121.06495	6.4
121.10149	2.3
123.08070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59037	0.6
51.69192	0.5
53.03939	1.5
56.05031	1.1
60.43002	0.5
62.95704	0.6
65.03920	3.0
71.79658	1.1
74.06070	1.3
78.04711	0.6
79.05482	5.9
91.05466	85.9
92.05013	1.4
92.05792	4.7
93.07029	4.4
93.64662	0.6
95.04962	2.8
96.04493	1.1
101.84254	0.5
102.04675	0.5
103.05453	8.6
104.05672	0.6
104.06254	7.8
109.06499	1.6
115.05428	3.9
116.28213	0.5
117.07003	22.8
118.07346	1.6
119.04960	2.7
119.06040	2.2
119.08562	100.0
120.04440	1.8
120.05552	2.4
120.08063	2.7
120.08905	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.21698	0.4
53.03941	1.7
55.05506	0.7
56.05027	1.3
56.07804	0.4
59.84889	0.4
65.03931	3.7
66.04227	0.4
66.05121	0.5
69.66566	3.6
72.08131	0.9
73.08485	1.0
74.06055	2.7
75.65628	0.4
76.32095	0.4
76.39877	0.3
78.04712	0.5
79.05476	6.2
91.05466	94.2
92.04974	2.6
92.05800	4.6
93.07029	4.5
95.04934	2.5
96.04494	0.7
96.05286	0.5
97.07587	0.5
102.05550	0.5
103.05452	10.9
104.06243	7.1
109.06480	1.2
113.36446	0.4
115.05431	3.7
117.07003	15.1
118.07321	0.7
119.03431	0.7
119.04935	4.0
119.06050	3.3
119.06833	2.6
119.08559	100.0
120.04491	3.8
120.05582	4.1
120.06383	0.5
120.08073	8.8
120.08899	7.4
121.06482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
54.61221	0.6
56.05026	1.3
59.06090	0.8
65.03928	11.1
66.70560	0.6
69.52596	0.7
73.08473	1.9
74.06065	1.9
74.20074	0.7
78.03441	1.1
79.05488	1.1
82.23129	0.7
87.87687	0.6
91.05466	100.0
92.04982	0.9
92.05806	4.3
95.04939	1.1
96.04475	6.8
102.09165	1.3
103.05455	1.5
104.06243	1.3
110.06021	0.7
117.07001	2.8
119.04929	38.6
119.06028	4.8
119.08553	17.6
120.04504	1.4
120.05531	4.7
120.06429	1.0
120.08088	2.8
120.10219	1.4
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
53.03930	1.4
65.03919	2.2
68.27234	0.5
70.96802	1.1
70.97182	0.9
74.06062	0.6
78.04659	0.7
78.20103	0.5
79.05478	5.3
91.05463	69.2
92.05000	0.6
92.05792	3.2
93.07032	4.2
95.04942	2.7
102.04616	0.6
103.05449	7.7
104.06245	6.6
104.12447	0.6
109.06503	2.2
115.05421	3.5
117.07000	18.2
118.07330	1.3
119.04937	3.2
119.08559	100.0
120.04449	0.9
120.08086	0.6
120.08883	5.8
121.06458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.05483	2.4
58.06579	1.0
65.03915	1.6
69.76929	6.6
72.08143	20.8
76.93332	0.9
77.03916	0.8
79.05462	2.6
83.52325	0.8
91.05466	69.8
92.05782	1.1
93.07034	2.0
95.04955	7.1
98.21462	0.8
100.07587	0.9
103.05448	3.8
104.06236	3.1
104.98539	0.9
105.04494	1.3
106.54279	0.8
115.05424	2.5
117.05698	2.1
117.06994	10.9
118.06523	100.0
118.08649	2.3
119.04935	1.7
119.06094	1.3
119.06850	3.8
119.08558	58.2
131.81799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03936	0.4
55.05505	15.1
56.05033	0.3
56.05829	0.4
57.05796	0.9
58.06588	2.9
59.04992	0.3
59.07372	3.1
70.06588	2.6
70.15995	0.5
70.16389	0.4
71.06910	0.2
72.08144	100.0
73.08479	2.5
83.50066	0.2
83.50549	0.6
86.03526	0.2
92.51034	0.2
92.52844	0.2
100.02476	0.5
103.54783	0.3
104.52851	1.0
106.05057	0.3
112.07588	0.6
114.09120	0.2
118.03479	0.3
118.08638	15.4
119.08984	0.5
132.05324	0.2
136.02068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04132	1.6
56.96568	13.7
57.03426	1.5
58.99849	1.9
59.06084	2.5
59.52174	2.3
65.03916	2.0
67.05501	2.4
69.03420	18.1
69.07047	1.5
70.40340	1.9
70.47629	7.7
71.02962	2.5
74.06046	2.1
76.36136	1.4
78.52956	3.0
81.03380	1.9
82.01427	4.8
84.52940	1.9
85.51934	2.2
85.53715	2.1
86.52677	4.6
87.53458	2.7
91.05470	72.4
92.05779	2.8
92.52826	1.7
93.53465	4.0
95.53213	1.8
97.02914	1.9
98.08083	1.8
100.02470	28.6
101.00863	9.2
101.02571	5.1
102.02225	7.5
103.02420	5.1
103.05442	2.7
104.52746	2.8
106.02683	4.0
107.05264	3.8
114.99308	1.6
116.05777	5.9
116.55865	2.1
117.06991	1.9
118.03490	18.0
119.01906	100.0
119.03643	4.8
119.04906	2.0
119.06024	4.4
119.08559	18.9
120.01976	11.0
120.03249	5.4
120.05539	6.5
121.03465	3.3
129.03987	2.1
131.01834	2.8
133.03409	2.0
137.01878	3.5
137.02939	61.2
138.03029	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	116.986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52909	5.0
53.03940	10.5
55.01868	8.3
55.05499	6.7
56.96561	59.4
58.95402	9.7
59.30940	5.2
67.05492	9.2
69.03410	13.5
70.04150	28.1
71.02966	13.4
71.95242	6.8
76.92860	8.1
78.52950	10.2
80.82492	5.3
81.03406	24.2
82.01430	17.0
83.52363	26.2
84.08134	9.6
87.02420	6.9
92.52849	31.6
94.05026	8.9
94.54238	10.8
95.04977	6.2
98.20773	9.4
98.97575	90.0
100.02470	100.0
101.02563	11.3
102.02222	18.4
102.54033	6.2
103.54787	8.7
106.05028	35.8
109.02856	30.1
110.03217	11.1
112.07587	36.9
115.05572	16.3
116.98607	85.3
117.99045	9.9
118.03488	86.2
118.04245	7.2
119.03604	9.5
120.03259	15.4
134.99641	53.3
136.00117	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.66578	0.7
53.03954	1.4
55.05507	8.2
56.88828	0.7
57.03413	0.8
58.06576	1.5
59.93113	1.2
65.03954	1.4
70.03737	0.8
70.06590	2.4
70.89307	2.5
72.08145	49.5
73.08472	1.9
75.05578	0.9
76.93348	5.9
83.52341	1.0
91.05470	55.4
92.05812	1.0
94.94344	0.9
95.04965	1.2
97.07663	1.2
109.94135	0.7
117.05742	2.7
117.96001	1.1
118.06528	100.0
118.08573	4.4
119.03418	1.9
119.04948	1.4
119.06089	1.5
119.06868	4.8
119.08564	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	2.3
53.03709	2.1
53.03941	30.5
53.67421	1.6
55.05489	2.9
55.33714	1.9
70.46632	3.8
70.47034	4.2
72.08144	13.0
77.03915	7.0
81.03400	4.4
91.05464	29.9
95.04955	75.7
105.04510	14.3
113.71645	1.7
117.07011	2.9
118.06531	100.0
119.04935	2.3
119.06107	1.8
119.06862	7.4
119.08562	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	118.0651
Annotation	Indole
Peak:m/z	Relative Intensity
53.03925	2.7
55.05494	2.8
65.03934	1.4
69.58112	6.5
70.06593	1.3
72.08142	20.8
79.05494	1.3
91.05463	53.0
93.07016	1.6
95.04955	5.7
95.87508	0.8
97.49292	0.6
102.96279	0.7
103.05443	1.9
104.06207	2.0
105.04476	0.9
115.05418	0.7
117.05772	3.3
117.07008	7.1
118.06521	100.0
118.08659	2.4
119.04941	1.2
119.06075	1.3
119.06797	4.0
119.08557	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	115.0756
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.00313	0.5
53.03959	1.1
55.01867	3.7
55.05505	4.5
56.05032	0.7
56.96588	0.6
57.03429	6.9
57.03665	0.5
57.04581	0.4
59.03742	0.8
59.04995	8.2
67.05497	3.3
69.03424	4.7
69.07060	65.0
70.02959	0.4
70.06582	100.0
70.15002	2.0
71.04984	1.2
72.04503	0.5
72.08141	0.4
72.93806	0.6
73.02907	0.6
73.06545	13.4
74.93810	5.4
79.05484	9.8
80.05800	1.3
83.01335	0.5
85.02884	0.9
85.44270	0.4
87.00809	1.3
87.04456	9.6
88.07616	0.8
92.94830	1.2
93.03666	0.4
95.04940	0.6
97.02848	1.6
97.06519	34.6
97.08438	0.8
98.02380	0.5
98.06009	1.0
98.06805	1.7
98.09672	0.7
99.00789	0.5
110.95776	0.4
115.03911	10.2
115.05214	0.4
115.05547	0.4
115.07575	5.2
115.08852	0.8
115.09471	7.0
115.10589	0.7
115.96339	1.1
116.03358	0.5
116.07085	17.2
116.10725	2.3
134.16499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
51.16514	0.2
59.17329	0.2
68.05019	0.3
69.03383	0.2
70.06581	100.0
70.92941	0.2
71.06297	0.2
71.06910	2.7
71.30270	0.4
73.52692	0.2
82.87659	0.2
84.06013	0.2
98.09691	0.6
102.34631	0.2
116.07077	17.4
116.10718	3.9
117.07399	0.5
122.34247	0.2
123.46008	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	116.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26801	0.2
53.03933	0.3
55.01869	0.3
55.05496	0.2
56.05024	0.2
56.96559	2.4
68.05011	0.3
69.03393	0.3
70.06580	100.0
71.05002	0.2
71.06304	0.3
71.06905	2.5
71.07256	0.3
71.34576	0.3
71.34910	0.2
73.02896	0.3
74.93833	0.2
78.52947	0.4
81.03411	1.1
81.03806	0.2
82.01430	0.3
83.07360	0.2
86.52698	0.2
92.01283	0.2
93.04278	0.2
96.08125	0.4
98.06049	0.2
98.07180	0.5
98.09682	2.3
98.97570	0.7
100.02465	1.5
102.02234	0.7
103.33112	0.2
109.02872	1.8
116.07075	17.3
116.10711	15.1
116.98598	0.9
117.07440	0.5
117.11044	0.4
118.03510	1.1
119.01927	0.2
120.03260	0.4
134.99644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05478	5.3
81.00710	0.3
81.03403	3.3
81.07043	15.4
83.04964	52.3
83.08594	2.0
84.05312	0.4
85.02888	100.0
85.06494	0.5
86.03220	1.0
87.04436	2.6
91.03937	0.6
91.05458	7.5
93.07028	10.7
95.04961	4.2
95.08589	16.2
96.08905	0.4
97.02872	21.9
97.06505	1.7
97.10139	0.9
98.03246	0.4
99.04440	4.6
101.06014	0.8
103.03919	1.2
103.05488	0.6
105.07013	10.4
105.07700	0.7
107.04900	0.6
107.08574	15.2
109.02834	2.5
109.06534	1.8
109.10135	20.7
111.04421	51.3
111.08067	0.8
111.11713	0.6
112.04778	0.9
112.28234	0.3
113.02370	0.8
113.06001	0.8
115.03908	10.9
115.05376	0.4
117.05464	1.0
117.06993	2.5
119.08562	14.3
120.08794	0.4
121.06503	1.2
121.10123	16.7
122.10472	0.5
123.04397	1.1
123.08070	1.8
123.11683	31.2
124.12029	0.6
125.05984	1.4
125.09608	0.5
127.03896	6.3
129.05455	39.8
130.05785	0.6
130.07758	0.6
130.74048	0.3
131.08534	5.3
131.09422	0.6
133.04947	2.9
133.06450	0.9
133.10100	13.1
135.04391	0.8
135.08054	1.8
135.11667	13.7
137.05966	1.0
137.09628	0.6
137.13231	4.4
139.03894	2.4
139.07520	1.0
141.05412	0.6
141.06960	0.5
142.07715	0.9
143.08557	3.2
144.09343	0.6
145.04933	5.8
145.10107	8.5
147.06497	14.4
147.07823	0.7
147.08067	0.7
147.11667	7.5
149.09639	1.0
149.13242	6.3
151.03851	0.6
151.07556	1.2
151.11075	0.6
151.14780	0.6
153.05441	0.9
153.09068	0.7
153.12753	0.5
155.08546	0.7
156.09271	0.6
157.04982	0.9
157.10115	4.2
159.06815	0.5
159.07982	1.6
159.11664	9.4
161.09587	1.3
161.13242	6.6
163.05998	1.5
163.07538	1.5
163.11131	1.2
163.14799	4.9
163.58510	0.4
165.05458	0.7
165.07571	1.1
165.09099	0.9
167.10638	0.5
169.04987	0.8
169.10120	1.9
171.06499	10.1
171.07941	0.7
171.11641	3.5
173.08249	0.6
173.09578	2.5
173.13231	5.8
175.11229	0.8
175.14793	4.5
177.09138	1.6
177.12735	0.6
177.16362	2.8
179.10660	1.4
179.14262	0.9
183.06606	0.8
183.11620	2.1
185.13243	4.0
187.09589	0.4
187.11136	0.9
187.14784	8.4
189.09084	0.8
189.12723	0.8
189.16351	6.1
191.10631	2.0
191.14307	0.8
191.17908	6.8
193.12286	0.8
193.19464	0.4
195.06453	0.7
197.13266	1.5
199.05968	0.7
199.14752	2.9
201.12700	1.2
201.16341	5.0
203.10651	0.7
203.14308	0.8
203.17928	5.8
205.12219	0.9
205.19470	0.8
207.06461	0.6
207.13779	0.8
207.17366	0.7
209.13339	0.4
211.14774	0.8
213.07480	0.5
213.12770	0.8
213.16296	2.0
215.14317	0.9
215.17894	1.9
217.07036	0.6
217.12190	0.6
217.15916	0.6
217.19507	1.9
219.13785	2.1
219.21017	0.6
221.15326	1.1
221.18965	0.6
223.05997	0.5
225.07547	6.8
225.16362	1.0
227.14302	0.8
227.17912	1.6
229.12155	0.5
229.15858	1.0
229.19516	0.7
231.08600	6.6
231.13780	2.0
233.15344	1.6
235.16917	0.7
237.07527	0.9
237.16350	0.6
239.17828	0.7
241.06992	0.7
241.19461	1.4
243.08607	5.8
243.21002	0.9
245.15398	2.6
247.16910	8.2
249.18593	0.8
253.19522	1.3
255.08629	2.1
255.17374	0.5
255.21088	1.4
257.15210	0.4
257.22522	0.4
259.07959	0.7
259.16953	0.7
259.40048	0.4
261.09613	1.9
261.18613	0.6
261.22000	0.4
267.21048	0.9
269.22516	0.9
271.17047	0.7
273.09625	1.5
273.18625	0.8
275.20200	0.8
279.10684	5.0
279.21017	0.5
281.22726	0.5
285.18591	0.6
285.22110	0.4
287.20081	0.6
289.21860	0.4
297.22076	0.9
299.19955	0.7
301.21582	1.3
303.22977	0.5
307.24323	0.4
309.11798	1.9
309.22073	0.4
309.25687	0.8
313.21539	2.4
315.23077	4.4
323.27313	0.8
327.26672	0.4
331.22534	0.4
333.24594	0.3
341.24796	0.6
351.26782	0.8
355.25989	0.4
367.26385	0.9
369.27856	6.7
373.27515	0.6
377.31882	2.0
381.27875	1.4
387.28827	2.1
391.28256	0.9
391.33313	0.7
395.33243	2.9
399.28830	1.0
401.31186	0.4
409.34732	3.5
413.30481	0.5
419.33096	2.9
435.33026	0.6
437.34091	30.4
438.34470	1.9
441.29834	0.7
449.34134	0.5
453.33865	2.0
455.35144	51.5
456.35458	3.6
465.33746	0.7
467.35312	3.2
479.35110	1.1
487.35541	0.6
489.33649	0.5
491.35132	0.4
497.35922	0.6
507.34433	1.9
509.36249	0.8
515.35077	0.6
521.36029	0.6
523.37463	0.7
529.36945	2.0
533.36420	1.6
545.36249	0.6
547.37726	12.2
548.38184	1.1
551.37238	1.4
565.38794	9.4
566.39252	0.5
569.38477	0.6
583.39520	1.0
587.39294	2.1
599.39423	0.6
641.41107	0.4
679.41742	0.8
697.43250	0.5
733.44513	0.5
749.44397	0.4
895.50470	2.4
1143.55225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	7.9
81.03408	4.6
81.07042	20.6
83.04963	27.9
83.08595	3.1
85.02887	100.0
85.06532	0.4
86.03227	0.7
87.04449	5.0
89.89308	0.3
91.03927	1.3
91.04565	0.2
91.05457	8.0
93.07024	15.6
95.04952	4.4
95.07687	0.4
95.08587	23.5
97.02870	32.6
97.06496	1.8
97.10138	2.1
98.21451	0.5
99.04436	5.5
99.08127	0.3
101.02328	0.6
101.05999	8.4
103.03929	1.1
103.05471	1.1
105.04529	0.4
105.07011	13.6
107.04929	1.0
107.08570	19.7
108.08942	0.3
109.02847	3.8
109.06509	2.1
109.10133	27.7
111.04420	26.6
111.05209	0.6
111.08066	1.1
111.11703	0.8
112.04731	0.5
113.05979	0.7
115.03902	13.6
117.05489	0.8
117.06998	2.9
119.08559	17.3
121.06490	1.2
121.10119	20.4
122.10435	0.4
123.04419	1.0
123.08078	1.6
123.11679	42.2
124.11983	0.5
125.05957	1.1
125.09608	0.5
127.03892	12.7
128.06203	0.4
129.05453	19.5
129.06847	1.4
130.05783	0.4
130.07756	0.4
131.08537	6.2
133.04944	9.6
133.06451	0.4
133.10101	14.9
134.10417	0.3
135.04401	0.5
135.08040	1.4
135.11662	18.3
137.05894	0.6
137.09575	0.8
137.13226	6.3
139.03870	1.9
139.07535	1.1
141.07016	0.4
142.07751	0.7
143.03360	0.5
143.08537	3.9
144.09268	0.7
145.04930	11.2
145.06313	0.6
145.08934	0.6
145.10086	10.6
147.06497	14.3
147.07964	0.9
147.11656	10.5
149.05923	0.9
149.09616	1.1
149.13219	6.4
151.03888	0.7
151.07535	0.9
151.11147	0.8
151.14804	1.0
153.05392	0.9
153.09106	1.1
153.12755	0.4
155.08536	1.0
156.09276	0.6
157.04904	1.9
157.10089	5.6
158.10823	0.6
159.06625	0.3
159.08020	0.7
159.11671	11.4
161.09598	1.6
161.13222	8.2
163.03906	0.6
163.05989	2.9
163.07530	2.0
163.11180	0.5
163.14798	6.4
165.05432	0.4
165.09070	1.5
167.06956	0.3
167.10660	0.5
169.04926	0.9
169.10135	1.7
170.10815	0.6
171.06499	31.6
171.11641	4.6
172.12369	0.5
173.08084	1.2
173.09636	0.8
173.13231	8.3
175.11186	1.2
175.14784	5.9
177.05499	0.6
177.09093	2.2
177.12721	0.3
177.16345	3.1
179.07092	0.4
179.10597	1.5
179.14305	1.3
181.04955	0.8
181.12167	0.4
183.11679	2.0
185.09686	0.3
185.13239	5.0
187.05971	0.3
187.09691	0.5
187.11252	1.0
187.14783	10.6
189.07561	0.4
189.09102	0.7
189.12683	0.6
189.16351	7.4
191.10628	3.1
191.14276	0.7
191.17905	8.6
193.04883	0.5
193.12202	1.2
193.19495	0.7
195.06494	0.5
195.11699	0.8
197.08080	0.5
197.13235	1.7
199.06001	1.1
199.11194	0.4
199.14790	3.5
201.07503	0.5
201.12686	0.6
201.16345	6.5
202.16698	0.3
203.10643	1.0
203.14265	1.2
203.17909	7.3
205.12212	1.3
205.15846	0.5
205.19470	0.9
207.06665	0.4
207.13741	0.3
207.17439	1.1
209.13229	0.7
211.14758	1.6
213.12766	0.6
213.16335	3.3
215.14339	0.8
215.17923	2.4
217.07063	0.6
217.12202	1.0
217.15916	0.5
217.19482	2.6
219.13829	2.2
219.21130	0.8
221.15352	1.4
221.18979	0.6
223.05948	1.4
223.14801	0.7
225.07570	4.8
225.16344	0.9
227.14299	0.5
227.17891	1.7
229.12212	0.5
229.15831	1.1
229.19447	1.5
231.08601	6.3
231.13742	2.5
231.17410	0.7
233.15306	2.4
233.18810	0.4
235.16887	0.7
237.16348	0.6
239.17889	1.2
241.06935	1.9
241.15785	0.4
241.19492	1.6
243.08630	3.9
243.13737	0.5
243.17488	0.5
243.21042	1.3
245.15320	3.6
247.16890	10.5
249.18454	0.5
251.17877	0.4
253.19402	1.5
255.08398	0.5
255.17557	0.4
255.21049	2.5
257.15332	0.6
257.18927	0.5
257.22653	0.6
259.08084	2.3
259.16809	0.9
261.09695	1.8
261.18451	0.9
265.19348	0.5
267.21078	0.9
269.22638	1.0
271.17026	0.7
273.18561	1.0
273.22177	0.5
275.20032	0.7
277.09189	0.6
279.10666	3.0
279.21069	0.6
280.09680	0.3
281.22681	0.8
285.18427	1.0
285.21671	0.3
287.20105	0.8
289.21558	0.3
295.10181	0.5
295.20526	0.6
295.23868	0.4
297.22095	1.1
299.19962	1.2
299.23236	0.4
301.21539	2.1
303.23184	0.4
309.25772	1.1
313.21661	2.4
315.23126	5.9
321.25803	0.7
323.27255	0.6
327.23096	0.9
339.23172	0.4
339.26892	0.3
341.24649	1.0
341.28391	0.4
351.26883	0.7
353.24567	0.5
355.26303	0.5
367.26303	0.9
369.27811	7.8
373.27289	1.0
377.31992	3.5
381.27762	2.4
387.28894	2.8
391.28442	0.9
391.33588	1.5
395.28671	0.5
395.33154	6.0
397.30969	0.4
399.28827	1.1
401.31897	0.7
407.33334	0.3
409.34607	4.8
419.32953	4.5
435.32275	0.5
437.34073	47.0
438.34399	2.0
441.30029	1.0
453.33945	1.5
455.35132	82.1
456.35382	3.9
467.35391	2.2
479.35260	1.5
485.89075	0.3
491.35315	0.5
497.35883	0.9
509.36029	1.2
515.35089	1.1
521.35840	0.5
527.36627	0.3
529.36841	0.5
533.36151	4.6
547.37317	1.4
551.37311	4.0
565.38678	1.2
569.38177	1.1
587.39264	3.1
733.45343	1.8
749.43591	0.7
895.49323	1.2
1113.89478	0.4
1146.00830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5923
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05475	4.5
81.03400	2.1
81.07040	11.6
83.01322	0.2
83.04964	26.9
83.08601	1.6
84.05295	0.2
85.02886	100.0
86.03204	0.7
86.06061	0.3
87.04450	2.2
91.03915	0.4
91.05457	5.2
93.03391	0.1
93.07024	8.4
95.04950	3.1
95.08585	13.0
96.08905	0.3
97.02869	17.6
97.06499	1.1
97.10159	1.1
98.03174	0.2
99.04437	3.7
99.08028	0.1
101.02364	0.3
101.05973	0.6
103.03938	0.8
103.05486	0.4
105.04510	0.2
105.07008	8.6
107.04971	0.7
107.08571	12.1
108.08932	0.2
109.02860	1.7
109.06504	1.1
109.10132	16.4
110.10487	0.3
111.04418	22.6
111.08042	0.8
111.11687	0.4
112.04716	0.2
113.02351	0.6
113.06004	0.6
115.03904	9.5
116.06110	0.1
117.05480	0.8
117.06982	1.7
119.08556	10.3
120.08869	0.2
121.06504	0.8
121.10117	11.9
122.09031	0.1
122.10402	0.3
123.04420	0.7
123.08068	1.3
123.11680	23.8
124.11996	0.4
125.02311	0.2
125.05977	0.9
125.09587	0.3
127.03886	6.3
128.06184	0.4
129.05450	30.4
129.07018	1.1
130.05789	0.5
130.07791	0.2
131.08542	3.5
133.04950	2.2
133.06497	0.5
133.10103	9.3
134.10490	0.2
135.04391	0.5
135.08070	1.3
135.11664	11.4
136.11978	0.2
137.05963	0.6
137.09601	0.5
137.13220	4.1
139.03862	2.1
139.07504	0.9
139.11191	0.4
141.05438	0.2
141.06992	0.3
142.07805	0.3
143.03401	0.3
143.08527	2.6
144.09291	0.2
145.04941	4.6
145.06273	0.3
145.06499	0.3
145.10092	5.7
147.06496	10.9
147.07874	0.5
147.11653	5.4
148.06940	0.2
149.05931	0.4
149.09573	0.9
149.13226	4.3
151.03868	0.3
151.07475	1.0
151.11151	0.4
151.14766	0.8
153.05455	0.7
153.09067	0.7
153.12714	0.4
155.08530	0.7
156.09312	0.5
157.04898	0.9
157.10101	2.7
158.10826	0.4
159.06635	0.2
159.08046	0.8
159.10326	0.3
159.11658	7.0
161.05995	0.2
161.09627	0.9
161.13228	4.7
163.03874	0.3
163.05992	1.3
163.07530	1.1
163.11194	0.8
163.14804	3.2
165.05450	0.4
165.07562	0.6
165.09096	1.2
165.12782	0.4
165.16327	0.2
167.08586	0.2
167.10710	0.2
169.04941	0.6
169.10095	0.9
170.10896	0.3
171.06491	23.9
171.11635	2.4
172.06816	0.3
173.08125	0.3
173.09534	1.5
173.13222	4.3
175.11176	0.6
175.14795	3.4
177.09113	1.5
177.12726	0.3
177.16364	2.2
179.07027	0.5
179.10632	1.0
179.14249	0.7
181.04988	0.4
181.10136	0.3
182.10809	0.2
183.06473	0.3
183.11650	0.9
185.09619	0.4
185.13228	2.7
187.06018	0.3
187.09656	0.3
187.11171	0.7
187.14780	5.3
188.15230	0.2
189.07564	0.3
189.09120	0.5
189.12695	0.5
189.16350	3.7
190.17145	0.2
191.10631	1.5
191.14301	0.3
191.17903	5.4
193.04945	0.2
193.10349	0.2
193.12239	0.6
193.19484	0.3
195.06505	0.5
195.11636	0.5
197.13226	1.2
199.05998	0.7
199.11119	0.4
199.14775	1.9
201.12650	0.9
201.16339	4.1
201.18105	0.3
203.10674	0.6
203.14319	0.5
203.17914	4.6
204.18257	0.3
205.12207	0.8
205.15874	0.4
205.19496	0.6
207.06485	0.6
207.13786	0.3
207.17372	0.7
209.13222	0.5
211.11241	0.2
211.14670	1.0
213.07568	0.5
213.12726	0.5
213.16328	1.5
215.14374	0.6
215.17854	1.4
217.12250	0.7
217.15933	0.4
217.19490	1.6
219.13748	1.3
219.17384	0.2
219.21085	0.5
221.13332	0.3
221.15364	0.9
221.18842	0.2
223.06010	0.5
223.14743	0.4
225.07541	5.1
225.16339	0.8
227.14322	0.6
227.17865	1.3
229.12314	0.2
229.15904	0.8
229.19440	0.8
231.08588	4.0
231.13742	1.6
231.17293	0.2
231.21016	0.3
233.15343	1.5
235.14761	0.2
235.16759	0.7
237.07599	0.7
237.16348	0.5
239.09126	0.2
239.17807	0.7
241.07025	0.6
241.15903	0.3
241.19431	1.0
243.08582	4.0
243.13878	0.5
243.17381	0.2
243.21048	1.0
245.15294	2.4
247.16891	6.1
248.17197	0.3
249.18535	0.3
251.17902	0.3
253.19450	0.7
255.08614	1.3
255.13765	0.1
255.17450	0.4
255.20995	1.6
257.15332	0.3
257.18924	0.3
257.22574	0.3
259.08017	0.8
259.16910	0.7
261.09689	1.5
261.18506	0.5
265.19571	0.2
267.17703	0.2
267.21100	0.6
269.19107	0.2
269.22647	0.5
271.16943	0.5
271.20651	0.2
273.09650	1.0
273.18481	0.6
275.20129	0.5
279.10693	3.7
279.17636	0.2
279.21024	0.3
281.22559	0.3
283.16785	0.2
283.24213	0.2
285.18497	0.6
285.22058	0.3
287.20007	0.5
287.23474	0.2
293.22495	0.2
295.20657	0.2
295.24081	0.3
297.22192	0.5
299.11426	0.2
299.20016	0.6
299.23141	0.2
301.21533	1.1
303.23148	0.3
307.24033	0.3
309.11774	1.1
309.22342	0.2
309.25775	0.5
309.74982	0.2
313.21619	1.5
315.23148	4.2
316.23575	0.2
321.25729	0.3
323.27222	0.5
327.23105	0.4
327.26849	0.3
329.24686	0.3
331.22598	0.3
333.24887	0.2
335.27399	0.3
337.29007	0.2
339.23315	0.3
339.27075	0.3
341.24640	0.5
341.28397	0.2
343.26178	0.2
351.26837	0.5
353.24796	0.3
355.26300	0.5
363.26709	0.2
367.26242	0.5
369.23132	0.2
369.27814	5.0
370.28003	0.2
373.27216	0.4
375.30276	0.2
377.31967	1.9
381.27872	1.3
383.29306	0.3
387.28769	1.5
391.28400	0.7
391.33582	0.7
395.33215	2.1
399.28973	0.5
401.31641	0.3
407.33148	0.3
409.34604	2.6
410.34848	0.2
411.35880	0.2
413.30295	0.2
419.33020	2.1
435.32541	0.5
437.34088	21.1
438.34448	1.2
441.29858	0.6
449.33932	0.5
453.33731	2.0
455.35135	35.4
456.35406	1.9
461.34198	0.3
465.33447	0.3
467.35236	2.0
468.35870	0.2
473.34253	0.3
479.35330	0.8
483.35443	0.2
485.36108	0.2
487.35669	0.2
489.33582	0.2
491.34955	0.4
497.35745	0.5
503.34637	0.2
505.36682	0.5
507.34714	1.4
509.36417	0.8
511.36099	0.2
515.35260	0.2
519.38489	0.2
521.36377	0.4
523.37646	0.3
527.37744	0.2
529.36731	1.5
533.36292	1.5
537.39380	0.4
539.37128	0.2
547.37720	8.1
548.37738	0.8
551.37384	1.0
565.38831	6.9
566.38934	0.6
569.37976	0.4
583.39996	0.7
587.39307	1.7
601.40588	0.2
679.41840	0.6
697.42816	0.5
733.44751	0.3
749.44824	0.4
895.50439	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0915
Annotation	epsilon-Caprolactam
Peak:m/z	Relative Intensity
52.33871	0.7
55.05505	3.8
60.05640	1.1
65.08509	0.7
67.05497	1.8
68.05021	6.1
69.07073	0.9
71.18101	1.4
71.18443	1.1
72.05628	1.6
72.08144	2.3
79.05067	0.9
79.05481	6.7
80.05008	3.4
80.82471	0.5
81.05786	18.6
83.04967	8.8
83.07335	0.9
84.08137	1.1
94.06554	7.3
95.06899	0.7
96.08119	24.3
97.07645	1.3
97.08458	1.2
100.02496	1.1
114.09155	100.0
114.10266	6.2
115.09483	2.5
118.03455	0.8
131.01813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
67.05489	1.3
68.05022	6.9
69.07050	0.7
69.61424	4.5
69.61738	0.5
72.08143	1.9
79.05482	7.3
80.05014	3.5
81.05787	16.2
82.06116	0.7
82.67924	0.5
83.04974	9.7
83.07334	0.7
94.06561	8.2
95.04958	0.8
96.07494	1.1
96.08117	23.0
97.07640	0.7
97.08425	0.8
114.09152	100.0
114.10262	4.4
115.09473	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	114.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01868	1.4
55.02990	1.6
55.05503	35.5
55.44273	0.7
56.05016	2.8
56.96558	18.9
57.03416	2.4
58.99862	1.0
59.04967	1.1
60.05642	19.6
60.95847	1.1
67.05486	1.2
68.05024	6.2
69.03431	5.3
69.07056	3.6
70.06598	2.2
70.48101	3.4
72.05631	43.6
72.08144	21.6
72.93773	7.3
73.02915	1.5
73.06430	1.1
77.00868	1.0
79.05484	6.8
79.52817	0.9
80.05005	4.4
81.05782	12.8
81.52520	1.0
82.01812	1.1
83.04974	7.6
83.50530	2.0
84.08126	0.9
85.02847	0.9
85.07674	1.5
87.04398	0.9
90.94819	1.4
91.00508	1.9
91.02327	1.2
94.06555	6.8
96.04478	1.5
96.08121	20.0
96.08715	1.6
97.02912	1.4
97.07641	17.5
98.06042	0.9
98.97575	1.5
100.02443	7.4
101.00877	2.4
101.02547	1.3
102.00980	1.0
102.02311	1.7
102.53118	2.2
111.53620	8.4
112.07590	4.5
112.54427	2.6
114.05546	2.6
114.09159	85.8
114.10282	100.0
115.03876	4.1
115.09489	2.9
115.10625	1.9
116.98590	1.1
118.03512	5.0
119.01936	5.0
120.01995	1.6
120.03257	0.8
120.54154	1.2
121.01659	3.1
128.98631	1.8
131.01903	3.4
133.01631	1.3
133.03473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.573
Annotation	Unknow
Peak:m/z	Relative Intensity
78.29194	0.1
79.27071	0.1
98.68902	0.1
100.43147	0.1
105.98769	0.1
106.50497	0.1
151.98116	0.1
222.10083	0.1
239.28839	0.1
395.11566	0.1
396.12064	0.5
397.12894	1.1
398.13730	0.4
399.14621	0.2
400.15161	0.1
408.11737	0.1
409.12878	0.3
410.13623	1.4
411.14481	3.8
412.15228	3.2
412.20813	0.1
413.16095	1.4
414.16449	0.2
423.09775	0.2
423.15027	1.1
424.11319	1.1
424.15378	1.5
425.16229	7.6
426.16815	5.5
427.17511	1.4
428.18631	0.9
429.15576	0.1
429.18774	0.1
436.15637	0.2
437.16983	0.8
438.12967	1.3
438.17285	1.0
439.13409	9.8
440.19080	4.0
441.19223	27.1
442.19489	3.0
443.17560	0.3
444.18442	0.2
450.12244	0.1
451.13550	0.5
451.17996	0.5
452.13977	2.1
453.15182	12.0
454.15802	4.2
455.16632	0.4
456.13513	0.2
456.18814	0.1
457.14667	0.5
458.15323	0.4
459.20630	0.2
463.13763	0.7
464.14328	0.2
465.15570	0.8
466.12122	0.4
466.17310	0.6
467.17133	23.5
468.17795	11.0
469.18744	11.6
470.19391	1.2
471.16788	0.5
472.17386	0.4
473.17599	0.1
476.16040	0.1
477.15555	0.3
478.15781	0.4
479.16736	0.3
480.17245	0.7
481.14777	15.6
482.15189	3.5
483.15137	0.5
484.17972	0.1
485.18384	0.7
486.19073	0.3
487.19797	0.1
493.15112	0.1
494.16849	0.4
495.16159	6.3
496.17075	11.6
497.17831	3.6
498.19009	0.7
499.16089	0.6
499.19846	0.6
500.20691	0.2
508.19696	0.8
509.18271	1.9
510.21042	0.5
511.17804	0.2
512.20648	1.0
513.20905	0.3
514.22498	2.2
515.21960	0.3
522.17749	0.8
523.19885	1.2
524.20526	0.4
525.17792	0.3
526.18652	0.3
527.23254	2.6
528.23358	0.4
536.18860	0.4
537.19244	0.8
538.19879	0.2
539.19458	0.5
540.19891	0.6
541.21002	0.2
542.21570	0.9
545.23920	0.4
551.19165	0.4
552.19702	0.1
554.21185	0.2
555.22333	24.6
556.22595	3.0
557.22430	0.1
558.21832	0.2
568.19373	0.5
569.19891	0.1
573.23071	0.2
582.20959	0.3
583.21783	99.4
584.22064	11.8
585.21942	0.3
586.20892	0.8
587.24963	1.4
588.24799	0.2
599.21063	0.1
600.21680	0.2
601.21973	0.2
610.20923	0.2
611.21228	2.0
612.21405	0.2
614.23511	0.8
615.24390	5.5
616.24500	0.6
625.23193	0.1
628.21344	0.1
642.23169	5.7
643.23828	100.0
644.24072	10.3
645.24243	0.3
646.24170	0.3
647.24353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	6.1
81.03406	1.4
81.07045	17.1
83.04967	57.1
83.08606	2.8
84.05289	0.5
85.02893	100.0
85.06515	0.9
86.03223	0.6
86.06097	0.4
87.04459	2.6
91.05463	8.4
93.07033	14.2
95.04961	7.0
95.08590	20.4
97.02876	16.1
97.06522	2.1
97.10149	1.3
99.04440	6.9
101.05996	1.3
103.05462	0.5
105.07011	12.5
106.07362	0.4
107.04947	1.4
107.08578	18.6
109.02858	1.2
109.06503	2.0
109.10143	22.1
111.04426	54.8
111.08060	1.1
111.11694	0.7
113.02363	1.2
113.05997	2.2
115.03913	8.6
115.05431	0.7
117.04738	0.5
117.05437	2.1
117.06985	2.5
119.08566	15.4
121.06497	1.8
121.10131	18.5
123.04401	1.4
123.08073	3.4
123.11687	38.2
124.11993	0.5
125.05965	1.7
125.09612	0.6
127.03896	3.6
128.06207	0.5
129.05463	31.7
129.07025	1.8
130.07777	0.5
131.08560	5.6
131.59431	0.3
133.04947	1.3
133.06488	1.0
133.10115	15.2
133.11125	0.7
134.10420	0.5
135.04404	0.6
135.08081	2.2
135.11674	17.2
137.05971	1.5
137.09564	0.7
137.13249	4.7
139.03853	2.5
139.07506	1.2
139.11151	0.8
140.03183	0.4
140.73026	0.4
141.05452	0.9
142.07738	1.0
143.07019	0.4
143.08537	2.5
144.09325	0.6
145.04958	1.4
145.10106	8.9
147.06506	8.7
147.07990	0.9
147.11668	9.5
149.05925	0.9
149.09616	1.3
149.13231	7.1
151.03812	0.4
151.07509	1.4
151.11171	0.5
151.14780	0.8
153.05460	3.7
153.09091	0.8
153.12708	0.8
155.07043	0.4
155.08539	0.9
156.09238	0.8
157.04967	3.1
157.10123	4.4
158.10907	0.8
159.06429	0.5
159.08011	1.3
159.11679	8.8
160.12242	0.4
161.09561	1.5
161.13248	6.8
163.06006	1.3
163.07515	1.6
163.11145	1.7
163.14789	4.8
165.05446	0.6
165.07823	0.4
165.09077	2.1
165.12628	0.4
167.07033	0.4
167.10622	0.5
169.10091	1.5
170.10762	0.4
171.06502	21.8
171.11633	3.0
173.09598	3.8
173.13246	6.0
175.06065	0.5
175.11194	1.3
175.14815	4.0
177.09131	1.9
177.16377	2.6
179.07034	1.3
179.10629	1.2
179.14220	0.8
183.06476	1.0
183.11681	2.0
185.09575	1.0
185.13225	3.9
187.11140	0.8
187.14812	7.6
189.07440	0.5
189.09027	0.8
189.12729	1.0
189.16357	6.3
191.10619	2.7
191.14305	0.7
191.17924	7.9
193.08548	1.1
193.10217	0.3
193.12196	0.6
195.06396	0.8
195.11642	0.5
196.75842	0.4
197.13228	2.3
199.11145	0.9
199.14787	2.5
201.07594	1.0
201.11079	0.6
201.12703	1.7
201.16356	5.3
203.10577	0.5
203.17941	5.4
205.12175	1.0
205.19466	0.8
207.06438	0.8
207.13759	0.5
207.17329	0.9
208.99196	0.4
209.13181	0.9
210.13841	0.4
211.14766	1.5
213.07457	1.0
213.12746	0.9
213.16306	2.3
215.14349	1.2
215.17873	2.4
217.12251	0.7
217.15883	0.8
217.19438	1.3
219.13739	1.2
221.08098	1.0
221.15390	1.3
223.14848	0.6
225.07547	8.4
225.16341	1.1
227.14278	1.1
227.17877	1.3
229.15762	0.8
229.19516	1.3
231.08574	3.1
231.13779	1.6
233.15384	1.5
235.16878	0.8
237.16238	0.7
239.09108	10.4
239.17888	1.1
241.19426	1.5
243.08618	6.0
243.13800	0.8
243.17412	0.6
243.20953	1.3
245.15382	2.1
247.16919	9.4
251.17920	0.5
253.19452	1.0
255.21111	2.1
257.10159	3.8
257.22556	0.4
259.16882	0.7
261.09677	2.8
261.18433	0.8
263.17654	0.4
267.20966	1.0
268.42349	0.4
269.22705	0.6
271.08066	0.6
273.18570	0.9
275.11218	3.5
275.19983	0.6
275.23489	0.3
279.10703	4.2
279.20932	0.6
281.22348	0.4
285.18417	0.8
285.21899	0.7
287.19858	0.4
293.12305	5.1
297.18723	0.4
297.22055	0.9
299.20068	0.6
301.21655	0.7
309.25507	0.4
313.21713	2.4
315.23160	6.8
327.23035	0.9
331.22452	0.6
333.24194	0.7
335.27347	0.5
351.26385	0.5
355.26212	0.4
369.27817	3.7
371.13257	1.0
373.27332	0.6
377.31851	1.4
381.27628	0.9
387.28864	1.3
391.28812	0.5
391.33511	1.6
395.28986	0.7
401.31442	0.8
409.34586	2.4
419.33170	2.8
435.32458	1.2
437.34100	30.7
438.34375	1.5
449.33682	0.6
453.33862	3.1
455.35181	35.0
456.35443	1.5
465.33899	0.6
467.35263	2.6
479.35217	1.0
489.33499	0.4
497.36234	0.6
505.36487	0.6
507.34479	2.3
509.36148	1.1
521.35876	0.4
523.37164	0.6
529.36682	2.8
533.36041	1.7
547.37756	12.4
551.37048	1.3
565.38776	11.6
566.38849	0.9
569.37988	0.5
583.39685	1.0
585.37604	0.8
587.39417	7.7
599.39154	0.8
601.40936	0.6
639.38660	0.6
641.39172	0.4
679.41901	3.7
697.43054	3.8
715.43939	0.5
731.42712	1.1
733.32739	0.5
733.45105	10.2
734.44800	1.1
745.44183	1.0
785.43719	1.1
825.34735	0.4
825.47510	4.8
843.48700	3.0
855.58386	0.5
879.49976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.5881
Annotation	11-Oxomogroside IV A
Peak:m/z	Relative Intensity
79.05479	3.2
81.03403	1.3
81.07041	8.1
83.04964	6.2
83.08603	1.7
85.02888	45.9
85.06496	0.8
87.04465	1.2
91.03960	0.2
91.05456	4.0
93.06406	0.2
93.07024	8.0
95.04955	1.3
95.08588	11.8
97.02878	4.0
97.03522	0.2
97.06532	0.7
97.10149	1.1
99.04443	1.8
99.08068	0.8
101.02368	0.2
101.06000	0.5
103.03920	0.5
103.05453	0.4
105.07011	7.3
107.04953	0.4
107.08025	0.2
107.08574	11.1
109.02840	1.1
109.06513	0.9
109.10136	11.5
111.04428	3.7
111.08062	0.5
111.11710	0.4
113.06021	0.2
113.09576	0.2
115.05478	0.2
117.05481	1.2
117.06983	1.2
119.08559	9.8
121.06481	0.7
121.10121	10.1
122.10374	0.2
123.04424	0.5
123.08098	0.8
123.11684	8.0
125.05989	0.2
125.09605	3.7
125.10472	0.3
127.03891	2.9
127.07522	0.2
127.11172	2.8
128.06119	0.3
129.05453	12.9
129.07028	0.6
131.08537	3.0
133.06425	0.2
133.10101	10.2
134.10454	0.2
135.08032	1.3
135.11667	9.5
137.05968	0.3
137.09604	0.6
137.13232	4.3
139.03870	0.2
139.07532	0.4
139.11125	0.8
141.05435	0.2
141.07001	0.3
141.12708	1.1
142.07796	0.4
143.08545	2.1
143.10645	5.4
144.09352	0.3
145.04947	1.4
145.06340	0.2
145.08939	0.3
145.10098	5.6
147.04417	0.1
147.06516	3.5
147.08008	0.7
147.11655	6.3
149.05988	0.2
149.09589	1.0
149.13237	4.2
151.03909	0.3
151.07399	0.3
151.11201	0.4
151.14851	0.5
153.09111	0.4
153.12730	0.6
155.08510	0.7
156.09344	0.3
157.10092	3.4
158.10817	0.3
159.08049	0.4
159.11673	5.0
160.12483	0.2
161.09615	1.2
161.13226	4.9
163.05989	0.9
163.07521	0.4
163.11185	0.6
163.14803	2.2
165.09079	0.4
165.12834	0.4
167.10704	0.2
167.14291	0.3
169.04941	0.3
169.10136	1.1
170.10872	0.3
171.06543	0.2
171.08070	0.2
171.11664	3.3
172.12379	0.3
173.09634	0.8
173.13228	4.9
174.13860	0.3
175.06125	0.2
175.11194	0.7
175.14781	2.7
176.06284	0.2
177.05638	0.2
177.09097	0.5
177.12711	0.4
177.16350	1.6
179.10674	0.6
179.14313	0.6
181.10107	0.4
181.12297	0.2
182.10948	0.2
183.11674	1.3
184.12445	0.2
185.09662	0.2
185.13226	3.2
187.11223	0.5
187.14787	3.7
189.12726	0.6
189.16356	3.5
191.10722	0.5
191.14328	0.6
191.17929	2.7
193.12314	0.2
193.15929	0.3
195.11703	0.6
196.12328	0.2
197.13199	1.5
199.11166	0.3
199.14792	2.3
201.12785	0.4
201.16373	3.7
203.14296	0.7
203.17923	2.9
205.12210	0.5
205.15855	0.5
205.19562	0.3
207.13863	0.2
207.17612	0.2
209.13229	0.6
211.14777	1.5
213.12804	0.4
213.16315	1.6
215.14403	0.8
215.17900	1.4
217.12256	0.5
217.15894	0.5
217.19507	1.3
219.13800	0.4
219.17464	0.3
221.15266	0.4
223.14868	0.7
225.16394	0.9
227.14326	0.5
227.17863	1.2
229.12506	0.2
229.15880	0.8
229.19493	0.7
231.08615	0.3
231.13773	0.5
231.17485	0.4
233.15359	0.8
233.18991	0.2
235.16931	0.3
237.16400	0.7
239.18015	0.6
241.15817	0.4
241.19478	1.2
243.17496	0.4
243.21159	0.3
245.15341	0.7
245.19041	0.4
247.16870	1.6
249.16360	0.3
251.17976	0.5
253.19540	0.8
255.08685	0.4
255.17397	0.3
255.21033	1.5
257.19022	0.5
257.22620	0.3
259.16980	0.3
259.20483	0.7
261.18536	0.5
261.22006	0.2
265.19464	0.4
267.20905	0.8
269.19070	0.4
269.22656	0.6
271.17184	0.1
271.20544	0.7
271.24246	0.2
273.09708	0.5
273.18564	0.3
273.22095	0.4
275.20074	0.4
279.21204	0.5
281.19012	0.2
281.22656	0.4
283.20544	0.5
283.23929	0.2
285.18799	0.4
285.22205	0.5
287.20053	0.3
287.23642	0.2
289.21689	0.2
293.22491	0.3
295.20615	0.3
295.24118	0.2
297.22141	1.0
297.25195	0.2
299.20270	0.2
299.23752	0.4
301.21570	0.5
303.23334	0.3
307.24152	0.3
309.11801	0.6
309.22513	0.2
309.25833	0.4
311.23654	0.3
313.21674	0.3
313.25229	0.2
315.23151	2.4
315.26535	0.2
321.25793	0.3
325.25095	0.3
327.23074	0.4
327.26688	0.2
329.24817	0.2
333.25201	0.3
337.25076	0.1
339.26801	0.3
341.24698	0.2
347.26993	0.1
351.26791	0.6
353.24579	0.2
353.28348	0.3
367.26074	0.3
367.30228	0.3
369.27960	0.5
377.28033	0.2
377.32318	0.3
381.27716	0.2
391.33554	0.3
393.31470	0.3
395.28662	0.2
395.33163	2.1
401.32397	0.2
407.32935	0.2
409.34637	1.2
413.34460	0.2
419.32928	1.8
437.34082	8.9
438.34521	0.4
453.34094	0.2
455.35150	31.0
456.35452	1.7
473.36197	45.3
474.36557	1.9
489.35214	0.2
491.37244	2.5
512.73621	0.2
565.38550	0.2
617.40240	1.1
635.41431	26.2
636.41559	1.5
653.42389	1.7
763.46088	5.9
763.59943	0.3
764.46228	0.6
781.47162	100.0
782.47455	6.6
799.33490	0.2
799.48120	3.3
800.48621	0.3
815.47418	0.2
987.23529	0.2
1111.34497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
80.39513	0.1
83.11668	0.1
96.53255	0.1
150.40598	0.1
159.68152	0.1
269.11252	0.1
284.61484	0.1
316.48172	0.1
396.12149	0.4
397.12979	0.8
398.14059	0.4
399.14392	0.2
409.13168	0.3
410.13654	1.0
411.06314	0.1
411.14505	3.1
412.15277	2.1
413.16010	0.9
422.13766	0.2
423.15018	0.8
424.11252	0.7
424.15344	1.3
425.16190	5.7
426.16888	3.9
427.17560	0.7
428.18695	0.5
429.14819	0.1
436.15408	0.2
437.11816	0.3
437.16187	0.6
438.13135	1.3
438.17520	0.6
439.13351	6.4
440.13712	0.6
440.19061	2.6
441.19244	19.3
442.13171	0.1
442.19443	2.1
443.17258	0.1
444.17389	0.2
449.16586	0.1
450.13361	0.2
451.13223	0.2
451.18024	0.4
452.14053	2.0
453.15088	6.9
454.15872	2.4
455.21402	0.2
456.18112	0.2
457.15207	0.5
458.15399	0.3
459.20349	0.2
463.13712	0.6
464.14716	0.3
465.15393	0.6
466.12238	0.3
466.16901	0.4
467.17145	18.3
468.17758	6.6
469.18744	9.9
470.12350	0.2
470.19250	1.1
471.16684	0.4
472.17722	0.4
477.15607	0.2
478.15884	0.3
479.17029	0.3
480.13611	0.2
480.18008	0.4
481.14801	14.0
482.15302	3.2
483.16492	0.4
484.17941	0.2
485.18671	0.7
486.18634	0.3
487.19843	0.2
494.16269	0.5
495.16238	4.5
496.17133	9.6
497.17993	3.1
498.19180	0.5
499.15109	0.8
500.15936	0.1
508.19653	0.8
509.18115	1.6
510.20447	0.4
512.20892	0.6
513.18652	0.1
514.22821	1.0
522.17871	0.9
523.19397	1.1
524.20306	0.4
525.18005	0.2
526.18353	0.2
527.23273	1.8
528.23712	0.3
536.18652	0.2
537.19543	0.4
538.19275	0.2
539.19360	0.3
540.19678	0.5
541.21191	0.2
542.21429	0.7
545.23889	0.3
554.18860	0.1
555.22321	13.4
556.22699	1.4
568.19159	0.4
573.23553	0.2
582.21460	0.3
583.21790	100.0
584.22040	10.0
585.22009	0.2
586.20483	0.3
587.24927	0.6
600.20966	0.1
611.21228	2.5
612.21442	0.2
614.23706	0.4
615.24445	3.5
616.24628	0.4
642.23157	5.1
643.23840	73.7
644.24048	6.3
833.61426	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	1111.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	0.2
79.05482	2.0
81.03395	0.7
81.07040	5.3
83.04964	6.3
83.08603	1.0
85.02888	59.0
85.06547	0.3
86.03217	0.4
86.06062	0.2
86.40818	0.2
87.04446	1.5
91.05460	2.9
93.06428	0.2
93.07027	4.9
95.04951	1.2
95.08588	8.2
96.08880	0.2
97.02872	8.2
97.06500	0.9
97.10123	0.8
99.04434	4.7
99.08067	0.6
101.02361	0.2
101.06001	0.4
103.03931	0.3
103.05404	0.2
105.07006	4.9
107.04914	0.5
107.08572	8.1
109.02835	0.7
109.06498	0.7
109.10137	8.7
111.03642	0.2
111.04420	4.3
111.08064	0.5
111.11672	0.2
113.02349	0.3
113.05999	0.3
115.03907	4.8
115.05443	0.2
117.05476	2.3
117.07003	0.7
119.04918	0.2
119.08553	7.0
121.02766	0.1
121.06493	0.5
121.10122	7.3
123.04428	0.3
123.08070	0.8
123.11682	6.8
124.12049	0.2
125.05972	0.4
125.09604	2.2
127.03902	1.7
127.07516	0.2
127.11179	1.8
129.05452	13.7
129.07002	0.4
130.05762	0.3
131.04938	0.2
131.08533	2.1
133.04958	0.8
133.06496	0.3
133.10100	6.4
135.04398	0.3
135.08049	0.9
135.11670	6.7
136.11928	0.2
137.05951	0.6
137.09572	0.3
137.13237	2.5
137.67450	0.1
139.03865	1.3
139.07480	0.4
139.11148	0.5
141.12686	0.7
142.07819	0.4
143.03409	0.3
143.08548	1.3
143.10652	2.2
145.02863	0.2
145.04939	1.8
145.10081	4.3
145.11192	0.2
147.04410	0.4
147.06500	3.4
147.08002	0.5
147.11652	4.5
149.05945	0.2
149.09587	0.8
149.13220	2.8
151.03883	0.3
151.07500	0.3
151.11127	0.3
151.14832	0.3
153.05450	0.4
153.09052	0.2
153.12738	0.5
155.08530	0.2
155.10548	0.1
157.04967	0.7
157.10094	2.2
158.10866	0.4
159.08046	0.3
159.11665	3.9
160.12080	0.2
161.05962	0.2
161.09589	0.9
161.13226	3.5
162.13684	0.3
163.03874	0.3
163.05998	1.0
163.07347	0.3
163.11131	0.5
163.14771	2.2
165.05501	0.2
165.09140	0.3
167.10747	0.2
167.14317	0.3
169.04930	0.3
169.10095	0.9
170.10909	0.2
171.06528	1.0
171.07909	0.3
171.11668	2.3
172.12462	0.2
173.09607	0.5
173.13235	3.3
175.07632	0.2
175.11176	0.7
175.14803	2.0
177.05388	0.3
177.09129	0.3
177.12735	0.4
177.16370	1.2
179.06970	0.2
179.10655	0.5
179.14290	0.6
181.04973	0.3
181.10094	0.2
183.06436	0.2
183.11655	1.0
185.09596	0.3
185.13223	1.8
187.11186	0.4
187.14784	2.9
189.12749	0.5
189.16342	3.1
191.10585	0.2
191.14293	0.4
191.17874	2.2
192.18137	0.2
193.12187	0.3
195.06487	0.3
195.11681	0.7
197.13188	1.1
199.14793	1.6
201.12674	0.4
201.16341	2.5
202.49294	0.2
203.10545	0.2
203.14253	0.5
203.17911	2.3
205.12167	0.3
205.15866	0.4
205.19540	0.3
207.06491	0.3
207.13812	0.3
209.13260	0.6
211.14719	0.8
213.12730	0.2
213.16309	1.3
215.14336	0.7
215.17859	1.0
217.15868	0.5
217.19431	1.4
219.13826	0.5
219.17418	0.4
221.15343	0.4
223.14755	0.5
225.07562	1.7
225.16344	0.6
227.14481	0.4
227.17908	1.2
229.15877	0.4
229.19492	0.7
231.13763	0.5
231.17386	0.4
233.15349	0.7
233.18939	0.3
235.16948	0.5
237.16359	0.4
239.18040	0.4
241.19374	0.8
243.08630	1.5
243.17415	0.2
243.21034	0.3
245.15363	0.6
245.19043	0.4
247.16850	1.4
251.18028	0.2
253.19604	0.4
255.21068	1.5
257.18988	0.4
259.20602	0.5
261.09714	1.2
267.21057	0.3
269.22586	0.5
271.20554	0.4
273.22098	0.4
275.20047	0.3
279.10733	1.1
279.21008	0.4
283.20575	0.3
285.18701	0.3
285.22095	0.7
287.20087	0.4
287.23587	0.2
295.20718	0.2
295.24081	0.3
297.22086	0.4
299.20261	0.2
299.23544	0.4
301.21570	0.6
307.24133	0.2
309.22311	0.2
309.25778	0.5
311.23715	0.2
313.21616	0.4
313.25137	0.3
315.23151	2.2
317.24872	0.2
327.23087	0.3
329.24625	0.2
331.26248	0.2
333.25598	0.2
341.24554	0.2
351.26941	0.4
353.28183	0.3
355.26248	0.2
369.28000	0.4
377.31927	0.3
380.16663	0.2
381.27698	0.3
391.33517	0.2
393.31500	0.3
395.33029	1.9
401.31589	0.3
409.34497	1.2
419.32993	1.7
437.34088	8.7
438.34552	0.6
455.35141	23.6
456.35522	1.4
471.34549	0.2
473.36179	39.5
474.36563	2.4
491.37158	1.2
587.39130	1.3
605.40369	19.4
606.40833	1.4
623.41479	0.3
715.43970	0.2
733.45093	6.9
733.58118	0.4
734.45129	0.6
751.46094	100.0
752.46448	9.8
752.57977	0.2
769.46783	0.4
964.79767	0.2
1111.54150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.03463	0.7
55.01863	0.5
55.05505	28.2
56.05024	1.8
57.07068	1.5
58.06595	8.8
59.06102	0.8
63.67990	0.5
67.05492	3.3
68.05025	4.5
69.03413	0.7
69.04549	1.9
69.07060	84.5
70.02953	0.9
70.04884	0.9
70.06583	32.1
70.07404	1.9
71.06098	2.9
71.07349	0.8
71.40628	1.1
82.05328	1.1
82.06593	1.1
83.04984	1.5
83.06098	3.8
83.06898	0.6
83.08601	0.6
84.05608	0.7
84.08121	2.5
85.07651	3.1
88.00474	1.0
89.00236	0.5
93.07021	0.8
94.06557	2.3
94.18342	0.6
95.06078	2.7
96.05609	1.1
96.06846	1.1
97.00995	2.2
99.51263	1.3
108.51756	1.0
110.07167	2.5
111.04446	2.6
111.05583	9.1
111.06350	1.7
111.06741	1.4
111.07512	3.2
111.07973	2.6
111.09191	100.0
112.03946	2.1
112.05082	4.5
112.06242	0.8
112.07600	4.7
112.08721	43.7
112.09480	2.9
112.11215	3.4
115.96437	0.7
127.56184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03927	1.8
55.01857	1.3
55.05502	24.7
60.11807	0.4
65.03925	3.5
67.05503	1.0
68.05009	1.5
69.03409	1.4
69.07050	1.1
70.06576	0.6
71.04453	1.3
83.04967	21.2
83.06074	0.6
84.05322	0.6
85.02869	0.5
87.00444	1.7
87.50586	1.5
88.00473	13.8
88.02334	0.5
88.50347	0.7
89.00233	2.6
91.05466	0.4
93.03381	1.3
93.21164	0.5
94.06615	0.5
95.48969	0.4
96.00941	0.6
97.00991	18.3
98.00758	4.5
99.51273	3.7
100.50999	0.8
106.01500	1.7
108.51793	1.9
111.04426	100.0
111.08069	2.1
111.09193	0.5
112.03957	1.1
112.04779	3.3
112.07608	3.0
113.96317	1.0
115.96425	8.3
116.97228	2.1
117.95975	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	111.0441
Annotation	Resorcinol
Peak:m/z	Relative Intensity
53.03936	1.6
54.38211	0.4
55.01845	1.3
55.05503	22.6
56.05838	0.6
57.93545	0.4
60.24025	0.3
65.03933	2.1
67.05474	0.6
68.05022	0.5
69.03408	1.0
69.07057	1.7
69.46580	4.1
70.06576	0.7
78.99922	0.4
82.05270	0.3
82.06580	0.6
83.04964	16.6
84.05278	0.6
84.08142	0.6
85.02892	1.1
87.00451	0.8
87.50526	0.7
88.00471	9.1
88.50338	1.0
89.00228	2.1
91.05452	0.5
93.03386	0.6
93.07035	0.7
94.06530	0.4
95.69279	0.4
96.00960	0.4
97.00319	0.5
97.00985	9.8
97.51160	0.5
98.00748	3.0
98.21554	0.6
98.51236	0.4
99.51239	2.1
106.01501	1.2
107.01297	0.4
108.51781	0.8
111.04425	100.0
111.08045	2.0
111.09209	0.7
111.23890	0.4
112.03966	1.0
112.04766	4.2
112.07603	3.0
113.35610	0.4
113.96384	0.8
115.96413	5.0
116.97199	1.2
117.95968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
50.43964	0.4
53.03930	1.6
55.01852	1.9
55.05504	25.9
65.03932	3.7
67.05492	0.5
68.05009	1.2
68.85694	0.4
69.03407	1.2
69.04546	0.4
69.07056	1.6
70.06580	0.9
71.39886	1.2
78.99878	0.7
81.03393	0.6
82.04202	0.5
83.04967	21.1
83.35146	0.4
84.04463	0.4
84.05303	0.5
84.08121	0.4
87.00445	1.8
87.50570	1.5
88.00471	13.3
88.50331	0.9
89.00224	3.2
93.03395	1.1
93.07013	0.7
97.00988	21.9
97.51128	0.5
98.00768	5.8
99.44637	0.4
99.51263	4.1
100.51015	1.0
106.01508	2.0
108.51777	1.9
111.04426	100.0
111.08039	2.0
111.09154	0.5
112.03957	1.2
112.04779	3.5
112.07578	3.5
113.96378	0.9
115.96423	7.9
116.96380	0.4
116.97198	2.2
117.96004	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01851	1.3
55.05501	26.3
56.05823	0.8
56.96554	0.4
57.93546	0.7
65.03933	3.5
67.05489	0.4
68.05010	0.9
68.46405	0.4
69.03412	1.2
69.07059	1.7
69.63105	3.0
70.06554	1.1
73.24873	0.4
76.49654	0.4
78.99928	0.6
82.06554	0.7
83.04964	22.1
83.06013	0.7
83.06866	0.7
84.04499	0.4
84.05305	0.8
84.08122	0.6
85.05825	0.3
85.52055	0.4
87.00454	1.6
87.50552	1.4
88.00466	15.6
88.50354	1.4
89.00241	3.6
93.03390	1.0
93.07043	0.7
94.06570	0.4
95.04940	0.4
96.00973	0.4
96.51157	0.7
97.00983	21.6
97.51134	0.7
98.00759	4.1
98.21381	0.7
99.51247	5.4
100.51033	1.4
106.01495	2.5
107.01282	0.4
108.51760	1.9
111.04421	100.0
111.08028	2.4
111.09210	0.5
112.03944	1.4
112.04762	4.2
112.07587	4.0
113.96371	1.0
114.96661	0.3
115.96420	9.4
116.97196	2.8
117.95982	2.0
118.96819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03887	0.3
79.05481	3.2
79.05920	0.4
81.03336	0.6
81.07040	6.8
83.04966	2.8
83.08597	0.8
85.02889	8.0
85.06521	0.8
86.03181	0.2
87.04467	0.7
91.05460	4.5
93.07031	7.2
95.04962	1.5
95.08590	8.6
96.08902	0.1
97.02878	3.6
97.06496	0.8
97.10078	0.7
99.04446	1.9
99.08070	0.8
101.05996	1.3
103.05442	0.3
105.07009	8.3
107.04894	0.3
107.08575	10.3
109.02855	0.3
109.06503	1.1
109.10142	9.2
109.10837	0.3
111.04427	3.6
111.08072	1.4
111.11640	0.3
113.05943	0.2
113.09541	0.3
114.09097	0.4
115.03914	2.7
115.05326	0.5
117.05411	0.6
117.06993	1.9
119.08564	10.2
120.08765	0.2
121.06421	0.7
121.10126	8.4
123.04370	0.4
123.08061	0.9
123.11685	4.7
124.11965	0.2
125.05970	0.4
125.09619	3.8
127.03864	0.8
127.07483	0.5
127.10355	0.2
127.11163	2.8
128.06165	0.4
129.05443	2.5
129.06921	0.6
130.07713	0.3
130.08560	0.2
131.04846	0.2
131.08545	4.8
133.04965	1.0
133.06430	0.2
133.10107	10.8
134.10292	0.2
135.04353	0.3
135.08046	1.6
135.11664	4.7
137.05850	0.5
137.09573	1.0
137.13174	0.5
139.03799	0.3
139.07436	0.5
139.11075	0.6
141.06915	0.3
141.12708	1.1
142.07704	0.4
143.08548	2.4
143.10651	4.8
144.09171	0.5
145.02786	0.2
145.04832	0.4
145.06438	0.2
145.10101	7.8
147.04312	0.4
147.06540	0.9
147.07928	0.7
147.11658	6.9
149.05911	0.3
149.09599	1.4
149.12103	0.3
149.13222	3.8
151.03844	0.3
151.07480	0.5
151.11122	0.8
153.05437	0.3
153.08981	0.2
153.12645	0.6
155.08537	0.8
156.09250	0.6
157.04900	0.4
157.10094	3.8
158.10767	0.3
159.07964	0.7
159.11662	9.8
160.09749	0.2
160.11998	0.3
161.09589	1.2
161.13229	6.2
163.03815	0.4
163.05998	0.2
163.07538	0.4
163.11115	0.7
163.14816	1.3
165.05424	0.2
165.08990	0.5
165.12811	0.8
167.06940	0.3
167.08379	0.2
167.10579	0.4
167.14241	0.2
169.10095	1.7
170.10791	0.3
171.06410	0.4
171.07809	0.3
171.11662	3.3
173.09544	0.7
173.13234	5.7
174.13486	0.2
175.11209	1.0
175.13390	0.2
175.14786	3.7
177.05362	0.5
177.09003	0.5
177.12726	1.0
177.16347	1.5
179.06918	0.2
179.08455	0.2
179.10573	0.7
179.14232	0.7
181.04958	0.2
181.10057	0.7
181.11931	0.2
182.10875	0.2
183.11670	1.9
184.12146	0.2
185.09558	0.3
185.13213	3.1
186.13649	0.2
187.11069	0.7
187.14793	4.6
188.15398	0.2
189.08968	0.2
189.12646	0.5
189.16353	2.3
191.10513	0.4
191.14185	0.7
191.17841	0.5
193.12155	0.4
193.15886	0.3
195.11598	1.0
195.13521	0.2
196.12416	0.2
197.13219	1.9
199.05945	0.2
199.11041	0.4
199.14777	3.2
201.12642	0.7
201.16348	3.7
203.10620	0.2
203.14236	0.7
203.17914	1.0
205.12224	0.4
205.15823	1.3
207.06471	0.4
207.11659	0.2
207.13647	0.5
207.17372	0.4
209.13213	1.2
211.11267	0.2
211.14789	2.2
213.12697	0.5
213.16356	3.2
215.14339	1.0
215.17888	1.8
217.12204	0.5
217.15807	1.1
217.19279	0.2
219.13742	0.5
219.17352	1.1
221.13164	0.3
221.15201	0.3
223.14876	0.9
223.16646	0.2
225.07506	0.3
225.12579	0.3
225.16299	1.3
227.14244	0.5
227.17851	1.2
229.15901	0.8
229.19386	0.5
231.13708	0.6
231.17293	0.5
233.15305	1.0
233.18874	0.5
235.14806	0.4
235.16861	0.5
237.16431	0.9
239.17896	0.9
241.15755	0.4
241.19510	1.0
243.08600	0.2
243.13725	0.2
243.17365	0.5
243.20967	0.3
245.15288	0.8
245.19012	0.4
247.14705	0.2
247.16939	1.3
247.20572	0.2
249.16254	0.4
249.18558	0.2
251.17862	0.7
253.15768	0.3
253.19490	1.3
255.17357	0.7
255.21028	0.5
257.18921	0.6
259.16833	0.3
259.20547	0.9
261.09296	0.2
261.18445	0.4
263.17859	0.2
265.19449	0.6
267.17337	0.3
267.21024	0.8
269.18875	0.5
271.17007	0.4
271.20529	0.8
273.18402	1.3
273.22006	0.6
275.17624	0.2
277.19534	0.4
279.21014	0.5
281.19037	0.2
281.22510	0.3
283.20572	0.9
285.18570	0.4
285.22028	0.7
287.19974	0.3
289.21704	0.2
291.21033	0.4
293.19003	0.3
293.22247	0.4
295.20413	0.4
297.21982	0.5
297.25275	0.2
299.19965	0.4
299.23566	0.4
301.21619	1.0
305.31079	0.2
307.24060	0.5
309.22156	0.3
309.25549	0.2
313.21677	0.8
315.23273	0.5
317.24963	0.2
319.23898	0.2
321.22137	0.2
325.21600	0.2
325.25208	0.5
327.23010	0.5
329.24945	0.2
331.23911	0.3
335.27310	0.2
337.25412	0.3
341.24673	0.5
347.25699	0.3
349.25156	0.5
351.26770	0.3
353.24796	0.2
353.28381	1.4
359.27020	0.2
365.28265	0.3
367.26108	0.6
367.30072	0.4
371.25708	0.3
375.30615	0.2
377.28079	1.1
381.31650	0.3
385.27130	0.2
393.31610	1.2
395.29251	2.6
395.33389	0.3
405.31406	0.6
407.33078	0.4
411.32333	0.4
413.30453	1.8
417.31464	1.0
423.32452	2.0
425.34042	0.3
435.32471	3.0
438.34161	0.2
441.33649	1.6
453.33582	6.5
454.33850	0.4
455.35284	0.3
456.35446	0.3
471.34634	13.5
472.35034	0.6
473.36475	0.8
474.36478	0.4
475.36685	0.3
489.35681	100.0
490.35989	5.2
507.36761	10.2
508.37018	0.6
567.36987	0.3
571.38416	0.2
603.38940	2.6
605.39551	0.2
621.39874	55.5
622.40240	3.1
635.41486	0.5
636.41693	0.3
639.40942	7.2
640.41504	0.4
651.40631	0.3
653.42773	0.5
669.42108	2.7
699.12512	0.2
720.60260	0.2
749.44769	1.2
767.45612	9.4
768.45862	0.6
782.47705	0.3
783.47290	0.3
785.46631	3.2
801.46106	0.5
881.35156	0.2
990.71368	0.2
1088.53882	0.2
1109.52783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.573
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03914	0.3
78.04723	0.1
79.05475	3.5
81.03407	0.5
81.07038	7.9
82.07372	0.1
83.04961	3.9
83.08598	1.1
85.02885	26.7
85.06524	0.9
86.03242	0.2
87.04446	0.8
89.05995	0.1
91.05457	4.4
92.05785	0.1
93.07024	8.0
95.04360	0.1
95.04950	1.5
95.08585	9.3
96.08892	0.1
97.02870	4.3
97.06497	0.9
97.10149	0.9
99.04433	1.7
99.08071	1.0
101.05998	0.2
103.03947	0.2
103.05424	0.4
105.07007	9.7
107.04924	0.2
107.08568	11.1
108.08931	0.1
109.02866	0.4
109.06503	1.0
109.10130	10.0
110.10511	0.1
111.04416	3.0
111.08052	1.3
111.11709	0.2
113.02330	0.1
113.06007	0.2
113.09631	0.3
114.09157	0.1
115.03908	2.6
115.05373	0.4
116.06233	0.1
117.05497	0.9
117.06989	1.7
119.08553	11.5
120.08891	0.2
121.06490	1.0
121.10114	8.8
122.10439	0.1
123.04417	0.3
123.08037	1.0
123.11675	5.5
125.05994	0.3
125.09602	3.6
125.13229	0.1
127.03905	0.9
127.07531	0.3
127.11164	2.9
128.06137	0.3
129.05452	5.5
129.06883	1.0
130.07764	0.3
130.08636	0.1
131.08536	5.0
132.08795	0.1
133.04970	0.4
133.06499	0.4
133.10097	11.5
134.09521	0.1
134.10464	0.2
135.04405	0.2
135.08025	1.7
135.11658	4.8
137.05978	0.3
137.09596	1.0
137.13205	0.7
139.03854	0.6
139.07503	0.3
139.11154	0.7
141.05540	0.1
141.06982	0.4
141.09094	0.1
141.12717	1.2
142.07736	0.6
143.07370	0.1
143.08537	2.7
143.10638	5.3
144.09293	0.5
145.02982	0.1
145.04936	0.5
145.06429	0.2
145.10091	9.0
146.10576	0.2
147.04436	0.2
147.06499	0.8
147.08014	0.8
147.11647	7.5
149.05952	0.2
149.09581	1.6
149.13222	4.2
150.13570	0.1
151.03839	0.1
151.07549	0.5
151.11151	1.0
151.14795	0.2
153.05371	0.1
153.07076	0.1
153.09090	0.4
153.12697	0.8
154.07767	0.1
155.08517	0.8
155.10626	0.1
156.09326	0.4
157.04942	0.4
157.10094	4.1
158.07219	0.1
158.10880	0.4
159.08066	0.7
159.11656	9.8
160.08757	0.1
160.12195	0.3
161.09583	1.5
161.13222	7.3
162.13542	0.1
163.03883	0.2
163.06010	0.3
163.07536	0.4
163.11140	1.0
163.14777	1.5
165.05481	0.1
165.06905	0.1
165.09044	0.4
165.12712	0.5
167.07150	0.1
167.08565	0.2
167.10600	0.3
167.14310	0.2
168.09291	0.2
169.04955	0.1
169.10097	1.9
169.12233	0.1
169.15802	0.1
170.10901	0.3
171.06502	0.5
171.08012	0.2
171.11653	4.2
172.12372	0.2
173.09621	0.7
173.13216	6.5
174.10179	0.1
174.13766	0.2
175.07558	0.1
175.11177	1.2
175.14783	4.2
176.15182	0.1
177.05489	0.2
177.09045	0.5
177.12704	1.2
177.16347	1.7
179.07008	0.1
179.10623	0.7
179.14278	0.6
179.90953	0.1
180.09251	0.1
181.04971	0.1
181.10104	0.6
181.12181	0.2
182.10875	0.2
183.06529	0.1
183.11656	1.8
184.12357	0.2
185.09685	0.4
185.13211	3.3
186.13780	0.2
187.11212	0.7
187.14778	5.1
188.15207	0.1
189.09100	0.2
189.12714	0.9
189.16338	2.7
191.10646	0.5
191.14261	0.7
191.17906	0.4
193.10126	0.2
193.12230	0.4
193.15866	0.3
194.10895	0.1
195.06499	0.1
195.11679	0.9
195.13733	0.2
196.12482	0.2
197.09599	0.1
197.13208	2.3
198.13811	0.2
199.06046	0.1
199.11110	0.4
199.14775	3.2
200.15427	0.1
201.12714	0.7
201.16339	4.0
202.16800	0.1
203.10628	0.2
203.14290	1.0
203.17894	1.2
205.12326	0.3
205.15836	1.8
205.19557	0.1
207.06480	0.1
207.11691	0.4
207.13789	0.4
207.17406	0.5
208.12396	0.1
209.09535	0.1
209.13219	1.2
209.15199	0.1
210.13931	0.2
211.11237	0.2
211.14767	2.4
212.15451	0.2
213.07483	0.1
213.12964	0.5
213.16333	3.0
214.16986	0.1
215.10788	0.1
215.14381	0.8
215.17888	2.0
217.12299	0.4
217.15817	1.0
217.19388	0.1
219.11867	0.1
219.13840	0.6
219.17368	1.2
221.13214	0.5
221.15347	0.3
221.18929	0.1
223.14795	1.0
223.16832	0.1
224.15546	0.1
225.07513	0.5
225.12694	0.3
225.16309	1.3
227.14352	0.5
227.17867	1.4
228.14517	0.1
228.18382	0.1
229.12248	0.2
229.15836	0.9
229.19400	0.4
231.13808	0.6
231.17397	0.7
231.20999	0.1
233.13211	0.1
233.15285	0.9
233.18898	0.5
235.14970	0.4
235.16734	0.4
235.20604	0.1
236.15639	0.1
237.16425	0.9
237.18504	0.1
239.14304	0.3
239.17918	1.2
241.15813	0.5
241.19469	1.2
242.19942	0.1
243.08601	0.5
243.13797	0.2
243.17343	0.6
243.21062	0.3
245.15292	0.9
245.19009	0.3
247.14754	0.1
247.16895	1.7
247.20567	0.1
249.16330	0.4
249.18530	0.2
249.22224	0.1
251.14177	0.1
251.17937	0.9
251.20248	0.1
252.18661	0.1
253.15762	0.4
253.19485	1.5
255.17427	0.8
255.20941	0.5
257.15372	0.3
257.18918	0.7
259.16815	0.4
259.20490	0.8
261.09698	0.2
261.16080	0.1
261.18527	0.4
261.22073	0.1
263.17865	0.3
265.19586	0.7
267.17386	0.3
267.21054	0.9
269.15399	0.1
269.16449	0.1
269.18991	0.4
269.22598	0.2
271.16959	0.4
271.20514	0.7
273.18466	1.5
273.22034	0.5
275.17624	0.1
275.20090	0.2
275.22958	0.1
277.19540	0.4
279.10687	0.3
279.17136	0.1
279.21051	0.3
281.19028	0.2
281.22607	0.5
283.20572	0.8
283.23819	0.1
285.18481	0.4
285.22104	0.7
287.20029	0.5
287.23193	0.1
289.21582	0.2
291.17847	0.1
291.20804	0.5
293.19272	0.1
293.22568	0.3
295.20575	0.6
295.24216	0.2
297.18774	0.1
297.22101	0.5
297.25131	0.1
299.20108	0.3
299.23688	0.4
301.21597	1.2
303.23334	0.2
305.22592	0.3
307.20523	0.1
307.24176	0.6
309.11603	0.1
309.22153	0.6
309.25439	0.1
311.20065	0.2
311.23651	0.5
313.21582	1.3
313.25162	0.2
315.23349	0.3
317.22250	0.1
319.24341	0.3
321.22128	0.1
321.25693	0.2
323.23569	0.2
323.26926	0.1
325.21460	0.2
325.25232	0.5
327.23129	0.5
327.26825	0.1
329.21182	0.1
329.24704	0.2
331.22656	0.3
333.25558	0.2
335.23569	0.1
335.27289	0.3
337.21716	0.1
337.24887	0.4
339.23062	0.1
339.26889	0.2
341.24667	0.4
345.24619	0.1
347.25952	0.2
349.25235	0.6
349.28107	0.1
351.26727	0.3
353.24597	0.3
353.28357	1.2
355.26245	0.3
359.26285	0.2
361.25281	0.1
363.26398	0.1
363.30530	0.1
365.28586	0.3
367.25970	0.6
367.30310	0.6
369.27432	0.1
371.25717	0.2
373.27774	0.1
375.26468	0.2
375.30621	0.2
377.28198	0.9
377.32391	0.1
379.25851	0.1
381.31662	0.5
383.29581	0.2
385.27286	0.2
387.30945	0.1
389.31985	0.1
391.29944	0.2
393.27615	0.1
393.31631	1.2
395.29227	2.6
405.31528	0.6
407.32938	0.5
411.32724	0.6
413.30447	2.1
417.31583	0.9
423.32462	1.8
424.32803	0.1
425.34131	0.4
435.32495	3.3
436.32919	0.2
441.33548	1.9
442.33267	0.1
443.34912	0.1
453.33545	6.8
454.33899	0.3
455.35110	0.4
459.34448	0.1
469.33301	0.1
471.34610	14.2
472.35065	0.7
473.36249	0.8
487.34543	0.1
489.35632	100.0
490.35974	4.2
493.32236	0.1
506.38657	0.1
507.36713	10.5
508.37097	0.5
563.37225	0.4
567.36829	0.2
581.38165	1.0
585.37451	0.1
599.39160	1.3
603.38849	2.2
604.39185	0.1
605.40082	0.1
616.89636	0.1
617.40527	0.5
621.39819	54.4
622.40137	2.8
622.50769	0.1
633.38824	0.1
635.41400	1.1
639.40869	6.2
640.41058	0.4
651.40985	0.3
653.42535	1.7
669.41980	2.1
670.42407	0.1
672.80841	0.1
713.42188	0.1
731.43860	0.1
749.44440	0.5
767.45618	4.1
768.45923	0.2
785.46582	3.0
786.46924	0.2
801.46326	0.6
1038.66687	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	1109.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03905	0.3
79.05473	2.9
81.03400	0.4
81.07039	7.1
83.04967	3.6
83.08598	1.1
85.02887	22.9
85.06519	0.8
86.03232	0.2
87.04455	0.7
91.05457	3.8
93.07024	6.9
93.93718	0.1
95.04954	1.4
95.08585	8.2
97.02872	3.7
97.06504	0.9
97.10141	0.8
99.04436	1.7
99.08071	1.0
101.05988	0.2
103.05474	0.3
105.07010	8.1
106.07331	0.1
107.04944	0.2
107.08571	9.8
109.02851	0.2
109.06512	1.0
109.10135	8.6
111.04417	2.8
111.08057	1.2
111.11715	0.3
113.02367	0.2
113.05973	0.3
113.09609	0.3
115.03905	2.2
115.05468	0.4
116.06205	0.1
117.05483	0.7
117.06976	1.4
119.08556	10.3
120.08881	0.2
121.06482	1.0
121.10122	7.5
122.10439	0.2
123.04420	0.3
123.08052	0.7
123.11682	5.0
125.05962	0.4
125.09607	3.6
127.03925	0.5
127.07532	0.5
127.10223	0.1
127.10471	0.1
127.11169	2.6
128.06203	0.3
129.05453	5.0
129.06888	0.6
130.07759	0.3
131.08537	4.5
131.09546	0.2
133.04956	0.4
133.06459	0.3
133.10098	10.4
134.10527	0.1
135.08020	1.2
135.11664	4.1
137.05959	0.3
137.09583	0.8
137.13243	0.6
139.03874	0.6
139.07497	0.5
139.11151	0.7
141.05389	0.1
141.07021	0.1
141.09087	0.2
141.12706	1.0
142.07820	0.4
143.03424	0.1
143.08548	2.1
143.10643	4.4
144.09311	0.6
145.04947	0.4
145.06447	0.3
145.10097	8.2
146.10812	0.1
147.06511	1.0
147.07922	0.6
147.11655	6.6
148.12073	0.1
149.06068	0.1
149.09590	1.2
149.13222	3.5
151.07545	0.4
151.11169	1.0
153.05438	0.1
153.09074	0.3
153.12723	0.6
154.07761	0.1
155.08510	0.9
155.10616	0.1
156.09309	0.4
157.04945	0.3
157.10100	3.9
157.11368	0.2
158.10851	0.3
159.08104	0.5
159.11662	9.0
161.05923	0.2
161.09610	1.3
161.13226	6.5
163.03871	0.1
163.06001	0.3
163.07533	0.3
163.11137	0.8
163.14781	1.2
165.09129	0.3
165.12718	0.5
167.08516	0.2
167.10689	0.3
167.14328	0.2
168.09276	0.1
169.10092	1.3
170.10872	0.2
171.06525	0.4
171.07977	0.2
171.11653	3.2
172.12451	0.2
173.09685	0.7
173.13235	5.7
174.13634	0.2
175.11148	1.0
175.14795	3.7
177.05511	0.2
177.09102	0.3
177.12711	1.0
177.16341	1.4
179.08484	0.1
179.10663	0.7
179.14282	0.6
181.10123	0.4
181.12231	0.2
182.10931	0.1
183.11673	1.6
184.12415	0.2
185.09612	0.3
185.13229	3.0
186.13908	0.2
187.11209	0.7
187.14783	4.0
189.09134	0.1
189.12715	0.7
189.16336	2.2
191.10631	0.5
191.12622	0.1
191.14229	0.7
191.17920	0.4
193.10114	0.2
193.12242	0.3
193.15868	0.2
195.11682	0.7
195.13689	0.2
196.12395	0.2
197.13208	1.9
199.11153	0.4
199.14778	2.9
200.15605	0.1
201.12706	0.5
201.16342	3.3
203.10661	0.2
203.14252	0.8
203.17923	1.0
205.10246	0.1
205.12263	0.4
205.15807	1.3
207.11670	0.3
207.13725	0.2
207.17450	0.4
209.13234	1.2
210.14034	0.1
211.11163	0.2
211.14758	1.7
212.15564	0.1
213.12975	0.5
213.16347	2.8
215.14389	0.8
215.17876	1.7
217.12292	0.3
217.15858	1.0
217.19502	0.2
219.13736	0.6
219.17310	0.9
221.13260	0.3
221.15378	0.3
223.14784	1.0
223.16631	0.1
225.07462	0.6
225.12762	0.2
225.16319	1.2
227.14403	0.6
227.17888	1.2
229.15880	0.7
229.19499	0.4
231.13806	0.5
231.17474	0.6
233.13246	0.1
233.15288	0.9
233.18823	0.5
235.14766	0.3
235.16956	0.5
235.20439	0.2
236.15173	0.1
237.12724	0.1
237.16396	0.9
238.16920	0.1
239.14273	0.2
239.17981	1.1
241.15750	0.5
241.19489	1.0
243.08627	0.3
243.13879	0.1
243.17426	0.4
243.21077	0.2
245.15332	0.7
245.19016	0.4
247.14728	0.2
247.16924	1.4
249.16342	0.5
249.18643	0.2
251.17973	0.5
253.15883	0.2
253.19528	1.2
255.17441	0.7
255.20982	0.6
257.15204	0.2
257.18826	0.5
259.16818	0.2
259.20551	0.6
261.09586	0.2
261.18579	0.3
261.21875	0.1
263.17932	0.3
265.19586	0.8
267.17505	0.2
267.21091	0.9
269.18918	0.5
269.22488	0.2
271.16986	0.3
271.20569	0.8
273.18475	1.1
273.22076	0.4
275.20355	0.2
277.19452	0.4
279.10852	0.3
279.20990	0.4
281.19003	0.2
281.22647	0.4
283.20514	0.8
285.18805	0.2
285.22137	0.7
287.19965	0.4
287.23242	0.1
289.21759	0.3
291.21063	0.4
293.22598	0.3
295.20563	0.5
295.23911	0.2
297.18826	0.1
297.21924	0.5
299.20074	0.3
299.23727	0.3
301.21585	1.1
303.23340	0.2
305.22662	0.2
307.20886	0.2
307.24280	0.4
309.22079	0.6
309.25443	0.2
311.20230	0.2
311.23703	0.4
313.21606	1.0
313.25192	0.2
315.23166	0.3
319.23233	0.2
321.25763	0.1
323.23694	0.3
325.21591	0.2
325.25305	0.5
325.28873	0.1
327.23145	0.6
327.26465	0.1
329.24844	0.1
331.23453	0.3
333.25653	0.1
335.27490	0.2
337.25171	0.3
339.23016	0.2
339.26941	0.2
341.24799	0.3
345.24484	0.2
347.26532	0.2
349.25177	0.5
351.26761	0.4
353.24680	0.2
353.28354	1.1
355.26254	0.3
359.26834	0.1
361.25131	0.1
365.28192	0.3
367.25775	0.5
367.30225	0.7
371.25668	0.2
375.30865	0.2
377.28329	1.1
379.26193	0.2
381.31631	0.3
383.29535	0.2
385.27264	0.2
393.27341	0.1
393.31516	1.0
395.29218	2.2
395.33228	0.3
399.30267	0.1
403.28876	0.1
405.31573	0.6
407.32993	0.7
411.32510	0.4
413.30441	1.9
417.31573	0.9
423.32474	1.6
425.33792	0.5
435.32474	3.2
436.32938	0.1
441.33566	1.7
453.33545	7.0
454.33951	0.3
455.35068	0.2
469.33441	0.1
471.34628	14.6
472.34909	0.6
473.36447	0.3
489.35654	100.0
490.36023	3.8
507.36743	9.7
508.37006	0.4
531.35547	0.1
563.37091	0.2
567.36835	0.2
581.38208	0.7
585.37781	0.2
599.39270	1.2
603.38873	2.4
604.39331	0.1
617.40613	0.6
621.39862	54.3
622.40118	2.7
622.48877	0.1
633.38770	0.2
635.41724	1.0
639.40918	5.4
640.41211	0.3
651.40967	0.4
653.42358	1.5
669.41937	2.1
670.42133	0.1
713.41870	0.1
749.44177	0.6
767.45605	4.0
768.45789	0.3
785.46722	2.8
786.45886	0.2
801.46484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03832	0.3
79.05470	6.6
81.03401	5.3
81.07037	16.5
83.04961	11.1
83.08604	2.9
85.02885	100.0
85.06522	1.0
86.03191	0.6
86.06059	0.7
87.04450	2.9
89.06013	0.4
91.03941	0.6
91.05454	8.7
93.07022	15.2
95.04943	3.9
95.08583	22.9
97.02870	12.0
97.06501	1.7
97.10138	1.6
99.04430	3.6
99.08067	2.4
101.02362	0.5
101.05988	0.9
101.88535	0.3
103.03942	0.8
103.05430	0.9
105.04528	0.4
105.07008	13.0
106.07332	0.3
107.04958	1.3
107.08567	22.1
108.08890	0.4
109.02856	4.0
109.06503	2.8
109.10132	24.2
110.10460	0.5
111.04419	6.8
111.05132	0.6
111.08067	1.2
111.11663	0.7
113.09624	0.6
114.09151	1.3
115.03930	0.6
115.05449	1.3
117.05486	1.6
117.06992	3.1
119.04949	0.4
119.08553	18.4
121.06472	2.6
121.10114	17.3
122.10433	0.3
123.04428	0.7
123.08013	1.8
123.11676	12.3
125.02361	0.3
125.05969	0.6
125.09609	4.7
127.03888	8.7
127.04829	0.5
127.07541	0.6
127.11163	10.4
128.06183	0.9
129.05450	29.3
129.07008	1.9
130.07771	0.7
130.08647	0.7
131.08528	7.8
133.06506	0.9
133.10094	15.0
135.04369	0.5
135.08060	2.6
135.11656	15.6
137.05939	0.8
137.09563	1.5
137.13216	7.8
139.03883	0.3
139.07516	0.4
139.11177	1.4
141.06987	0.5
141.12743	0.7
142.07735	0.5
143.08513	4.4
143.09421	0.4
143.10652	1.3
144.09363	0.6
145.02800	0.5
145.04922	6.7
145.06519	0.6
145.10083	12.3
147.04410	1.3
147.06509	11.2
147.08012	2.0
147.11650	11.4
147.12828	0.5
149.05940	0.6
149.09604	2.4
149.13231	7.3
151.03891	0.8
151.07480	0.6
151.11165	0.8
151.14781	0.7
151.32204	0.3
153.09033	0.3
153.12741	1.1
154.07860	0.4
155.08516	1.6
155.10617	2.5
156.09325	1.2
157.10091	6.8
158.10799	0.7
159.06638	0.3
159.08037	1.4
159.11661	11.9
160.09674	1.0
160.12283	0.4
161.09601	3.3
161.13217	8.5
161.14490	0.6
163.03914	0.6
163.06009	2.8
163.07376	0.6
163.11133	1.8
163.14760	4.0
165.05493	0.4
165.07608	0.4
165.09085	0.7
165.12781	0.8
167.07085	0.6
167.08594	0.5
167.10533	0.3
167.14325	0.4
169.04945	0.6
169.10091	3.2
170.10883	0.8
171.06528	0.5
171.08051	0.6
171.11659	7.0
172.12428	0.5
173.09621	1.9
173.13216	7.6
174.10345	0.3
175.11183	1.6
175.14775	5.5
177.05502	1.6
177.09085	0.7
177.12743	0.9
177.16353	3.4
179.07167	0.3
179.10590	0.4
179.14311	1.1
181.10156	1.1
182.10901	0.6
182.29379	0.3
183.11636	4.0
185.09633	0.8
185.13213	5.6
185.14734	0.5
186.13892	0.4
187.06015	0.5
187.11180	1.5
187.14774	8.2
189.09035	0.4
189.12750	1.2
189.16338	6.1
191.10654	0.9
191.14304	0.9
191.17891	7.7
193.10234	0.3
193.12161	0.4
193.15852	0.3
194.11041	0.3
195.06462	0.4
195.11639	1.4
195.13606	0.6
196.12505	0.6
197.13225	3.6
199.11223	0.5
199.14772	4.8
200.15205	0.3
201.12682	1.8
201.16348	6.5
201.18118	0.5
203.14262	1.6
203.17906	5.8
204.59290	0.3
205.12343	0.5
205.15855	0.8
205.19504	0.4
207.06572	0.7
207.11737	0.3
207.13737	0.6
207.17409	0.6
209.13266	1.9
210.13924	0.4
211.14764	3.4
212.15582	0.4
213.07571	0.4
213.12747	0.8
213.16359	3.9
215.14252	2.4
215.17889	2.4
217.15816	1.8
217.19334	1.9
219.13760	0.5
219.17438	1.1
221.15373	0.4
221.19008	0.5
223.14752	2.0
225.12764	0.4
225.16402	2.4
226.16963	0.3
227.14268	0.9
227.17897	2.3
229.07082	0.5
229.15826	2.0
229.19348	1.5
231.08650	0.4
231.13838	0.7
231.17441	1.3
233.15263	2.4
235.14783	0.4
235.16847	0.5
237.07481	0.5
237.16417	0.9
239.17839	1.8
241.15808	0.7
241.19421	2.0
243.17368	1.4
243.21039	4.6
245.15359	1.0
245.19048	0.7
247.16844	2.3
249.16211	0.5
249.18497	0.7
251.18105	1.5
253.19453	3.1
255.08641	2.2
255.17422	0.8
255.21045	2.3
257.19016	1.0
257.22549	0.6
259.16858	0.4
259.20551	0.7
261.18576	0.9
261.22156	3.2
263.18021	0.6
265.19534	0.9
267.17462	0.4
267.21100	2.7
269.19000	1.1
269.22620	1.0
271.20581	1.3
271.24072	0.5
273.09631	2.3
273.18719	0.5
273.22076	0.9
275.20020	0.8
275.23767	0.4
277.19601	0.9
279.21066	1.3
281.19083	0.8
281.22525	0.7
283.20691	1.4
283.23926	0.4
285.18851	0.6
285.22083	7.5
287.20148	1.1
287.23627	0.4
289.21542	0.4
291.10812	0.6
291.21057	0.6
293.22662	1.1
295.20532	0.9
295.23978	0.6
297.22232	1.4
297.25427	0.4
299.20309	0.4
299.23660	0.6
301.21545	2.1
303.23175	2.1
305.22714	0.6
309.11737	3.4
309.22153	0.7
309.25565	0.6
311.23624	1.5
313.21570	1.2
313.25040	0.4
315.23169	2.5
319.24127	0.3
321.25803	0.9
323.23630	0.5
323.27094	0.7
325.11078	0.4
325.25348	0.4
329.24973	0.7
333.25708	1.1
337.25201	0.5
339.26801	0.9
341.24817	0.6
347.27094	0.7
348.28101	0.3
349.25226	0.5
349.28906	1.9
351.26730	1.7
353.28607	0.4
355.26193	0.5
357.27963	0.4
363.26648	0.6
365.28238	0.4
367.30029	0.3
369.27896	2.0
377.32065	0.8
387.28958	1.2
389.32019	1.0
394.28857	0.3
395.33035	3.0
401.32016	1.1
407.32962	6.9
407.37952	0.4
409.34607	2.3
419.32983	13.1
420.33322	0.5
425.34048	11.4
426.34271	0.4
427.35654	0.5
437.34073	45.4
438.34372	2.0
443.35156	5.3
455.35123	70.0
456.35336	2.8
465.28152	2.1
473.36166	56.3
474.36539	2.5
547.37885	0.4
565.39124	0.4
583.39990	0.7
587.39368	0.6
599.39508	0.4
605.40228	0.8
611.34094	4.9
612.34430	0.4
617.40332	13.8
618.40289	0.7
635.41376	36.6
636.41675	1.7
643.95203	0.3
649.99066	0.3
681.37732	0.3
695.39819	1.3
733.44458	0.7
745.45099	0.7
751.45599	2.2
763.46063	41.6
764.46429	2.2
779.45624	0.5
781.47137	39.5
782.47028	2.3
925.52655	0.4
978.30450	0.4
1105.61389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5768
Annotation	Helixoside B
Peak:m/z	Relative Intensity
77.03832	0.3
79.05470	6.6
81.03401	5.3
81.07037	16.5
83.04961	11.1
83.08604	2.9
85.02885	100.0
85.06522	1.0
86.03191	0.6
86.06059	0.7
87.04450	2.9
89.06013	0.4
91.03941	0.6
91.05454	8.7
93.07022	15.2
95.04943	3.9
95.08583	22.9
97.02870	12.0
97.06501	1.7
97.10138	1.6
99.04430	3.6
99.08067	2.4
101.02362	0.5
101.05988	0.9
101.88535	0.3
103.03942	0.8
103.05430	0.9
105.04528	0.4
105.07008	13.0
106.07332	0.3
107.04958	1.3
107.08567	22.1
108.08890	0.4
109.02856	4.0
109.06503	2.8
109.10132	24.2
110.10460	0.5
111.04419	6.8
111.05132	0.6
111.08067	1.2
111.11663	0.7
113.09624	0.6
114.09151	1.3
115.03930	0.6
115.05449	1.3
117.05486	1.6
117.06992	3.1
119.04949	0.4
119.08553	18.4
121.06472	2.6
121.10114	17.3
122.10433	0.3
123.04428	0.7
123.08013	1.8
123.11676	12.3
125.02361	0.3
125.05969	0.6
125.09609	4.7
127.03888	8.7
127.04829	0.5
127.07541	0.6
127.11163	10.4
128.06183	0.9
129.05450	29.3
129.07008	1.9
130.07771	0.7
130.08647	0.7
131.08528	7.8
133.06506	0.9
133.10094	15.0
135.04369	0.5
135.08060	2.6
135.11656	15.6
137.05939	0.8
137.09563	1.5
137.13216	7.8
139.03883	0.3
139.07516	0.4
139.11177	1.4
141.06987	0.5
141.12743	0.7
142.07735	0.5
143.08513	4.4
143.09421	0.4
143.10652	1.3
144.09363	0.6
145.02800	0.5
145.04922	6.7
145.06519	0.6
145.10083	12.3
147.04410	1.3
147.06509	11.2
147.08012	2.0
147.11650	11.4
147.12828	0.5
149.05940	0.6
149.09604	2.4
149.13231	7.3
151.03891	0.8
151.07480	0.6
151.11165	0.8
151.14781	0.7
151.32204	0.3
153.09033	0.3
153.12741	1.1
154.07860	0.4
155.08516	1.6
155.10617	2.5
156.09325	1.2
157.10091	6.8
158.10799	0.7
159.06638	0.3
159.08037	1.4
159.11661	11.9
160.09674	1.0
160.12283	0.4
161.09601	3.3
161.13217	8.5
161.14490	0.6
163.03914	0.6
163.06009	2.8
163.07376	0.6
163.11133	1.8
163.14760	4.0
165.05493	0.4
165.07608	0.4
165.09085	0.7
165.12781	0.8
167.07085	0.6
167.08594	0.5
167.10533	0.3
167.14325	0.4
169.04945	0.6
169.10091	3.2
170.10883	0.8
171.06528	0.5
171.08051	0.6
171.11659	7.0
172.12428	0.5
173.09621	1.9
173.13216	7.6
174.10345	0.3
175.11183	1.6
175.14775	5.5
177.05502	1.6
177.09085	0.7
177.12743	0.9
177.16353	3.4
179.07167	0.3
179.10590	0.4
179.14311	1.1
181.10156	1.1
182.10901	0.6
182.29379	0.3
183.11636	4.0
185.09633	0.8
185.13213	5.6
185.14734	0.5
186.13892	0.4
187.06015	0.5
187.11180	1.5
187.14774	8.2
189.09035	0.4
189.12750	1.2
189.16338	6.1
191.10654	0.9
191.14304	0.9
191.17891	7.7
193.10234	0.3
193.12161	0.4
193.15852	0.3
194.11041	0.3
195.06462	0.4
195.11639	1.4
195.13606	0.6
196.12505	0.6
197.13225	3.6
199.11223	0.5
199.14772	4.8
200.15205	0.3
201.12682	1.8
201.16348	6.5
201.18118	0.5
203.14262	1.6
203.17906	5.8
204.59290	0.3
205.12343	0.5
205.15855	0.8
205.19504	0.4
207.06572	0.7
207.11737	0.3
207.13737	0.6
207.17409	0.6
209.13266	1.9
210.13924	0.4
211.14764	3.4
212.15582	0.4
213.07571	0.4
213.12747	0.8
213.16359	3.9
215.14252	2.4
215.17889	2.4
217.15816	1.8
217.19334	1.9
219.13760	0.5
219.17438	1.1
221.15373	0.4
221.19008	0.5
223.14752	2.0
225.12764	0.4
225.16402	2.4
226.16963	0.3
227.14268	0.9
227.17897	2.3
229.07082	0.5
229.15826	2.0
229.19348	1.5
231.08650	0.4
231.13838	0.7
231.17441	1.3
233.15263	2.4
235.14783	0.4
235.16847	0.5
237.07481	0.5
237.16417	0.9
239.17839	1.8
241.15808	0.7
241.19421	2.0
243.17368	1.4
243.21039	4.6
245.15359	1.0
245.19048	0.7
247.16844	2.3
249.16211	0.5
249.18497	0.7
251.18105	1.5
253.19453	3.1
255.08641	2.2
255.17422	0.8
255.21045	2.3
257.19016	1.0
257.22549	0.6
259.16858	0.4
259.20551	0.7
261.18576	0.9
261.22156	3.2
263.18021	0.6
265.19534	0.9
267.17462	0.4
267.21100	2.7
269.19000	1.1
269.22620	1.0
271.20581	1.3
271.24072	0.5
273.09631	2.3
273.18719	0.5
273.22076	0.9
275.20020	0.8
275.23767	0.4
277.19601	0.9
279.21066	1.3
281.19083	0.8
281.22525	0.7
283.20691	1.4
283.23926	0.4
285.18851	0.6
285.22083	7.5
287.20148	1.1
287.23627	0.4
289.21542	0.4
291.10812	0.6
291.21057	0.6
293.22662	1.1
295.20532	0.9
295.23978	0.6
297.22232	1.4
297.25427	0.4
299.20309	0.4
299.23660	0.6
301.21545	2.1
303.23175	2.1
305.22714	0.6
309.11737	3.4
309.22153	0.7
309.25565	0.6
311.23624	1.5
313.21570	1.2
313.25040	0.4
315.23169	2.5
319.24127	0.3
321.25803	0.9
323.23630	0.5
323.27094	0.7
325.11078	0.4
325.25348	0.4
329.24973	0.7
333.25708	1.1
337.25201	0.5
339.26801	0.9
341.24817	0.6
347.27094	0.7
348.28101	0.3
349.25226	0.5
349.28906	1.9
351.26730	1.7
353.28607	0.4
355.26193	0.5
357.27963	0.4
363.26648	0.6
365.28238	0.4
367.30029	0.3
369.27896	2.0
377.32065	0.8
387.28958	1.2
389.32019	1.0
394.28857	0.3
395.33035	3.0
401.32016	1.1
407.32962	6.9
407.37952	0.4
409.34607	2.3
419.32983	13.1
420.33322	0.5
425.34048	11.4
426.34271	0.4
427.35654	0.5
437.34073	45.4
438.34372	2.0
443.35156	5.3
455.35123	70.0
456.35336	2.8
465.28152	2.1
473.36166	56.3
474.36539	2.5
547.37885	0.4
565.39124	0.4
583.39990	0.7
587.39368	0.6
599.39508	0.4
605.40228	0.8
611.34094	4.9
612.34430	0.4
617.40332	13.8
618.40289	0.7
635.41376	36.6
636.41675	1.7
643.95203	0.3
649.99066	0.3
681.37732	0.3
695.39819	1.3
733.44458	0.7
745.45099	0.7
751.45599	2.2
763.46063	41.6
764.46429	2.2
779.45624	0.5
781.47137	39.5
782.47028	2.3
925.52655	0.4
978.30450	0.4
1105.61389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	0.2
79.05482	4.6
81.03403	2.3
81.07043	13.3
83.01341	0.4
83.04965	25.1
83.08609	2.1
85.02892	100.0
85.06506	0.4
86.03214	0.7
86.06064	0.4
87.04454	2.4
91.05465	5.8
93.07029	9.2
95.04961	3.0
95.08588	15.9
97.02875	17.3
97.06522	1.4
97.10164	0.9
99.04443	3.4
101.06011	0.6
103.03930	1.0
103.05471	0.5
105.04534	0.2
105.07011	8.7
106.02467	0.2
107.04955	0.8
107.08575	13.1
109.02865	1.8
109.06495	1.6
109.10140	18.4
111.04426	22.2
111.08041	1.2
111.11692	0.5
113.02353	0.4
113.06025	0.8
114.09165	0.4
115.03912	9.0
115.05342	0.4
117.05464	0.8
117.06989	1.7
119.04960	0.2
119.08559	11.1
121.06507	0.9
121.10125	12.6
122.10444	0.3
123.04405	0.9
123.08083	1.5
123.11685	26.0
124.12042	0.3
125.05982	0.9
125.09633	0.5
127.03902	6.3
127.11214	0.3
128.06209	0.3
129.05458	29.8
129.07031	1.1
130.05807	0.4
130.07724	0.3
131.08554	3.7
133.04955	1.9
133.06500	0.3
133.10106	10.1
135.04391	0.4
135.08072	1.4
135.11671	12.7
137.05946	0.7
137.09601	0.7
137.13231	4.1
139.03882	1.7
139.07538	0.7
139.11169	0.7
142.07788	0.3
143.08537	2.1
144.09418	0.3
145.04950	4.9
145.06276	0.4
145.10097	6.6
146.01981	0.2
147.04521	0.4
147.06500	9.3
147.08025	0.8
147.11659	6.1
147.12842	0.3
149.05945	0.4
149.09595	0.9
149.13237	5.4
151.03925	0.4
151.07492	1.1
151.11165	0.5
151.14798	0.4
153.05458	1.0
153.09059	0.7
153.12691	0.5
155.08563	0.7
156.09320	0.4
157.04929	1.0
157.06216	0.2
157.10123	2.7
159.06554	0.3
159.08018	0.9
159.11676	6.7
159.12939	0.5
161.05959	0.2
161.09644	0.9
161.13237	5.4
161.14502	0.4
163.03879	0.3
163.06001	1.3
163.07536	1.4
163.11160	0.9
163.14807	4.1
165.05484	0.5
165.07715	0.4
165.09077	1.0
165.12758	0.5
167.10654	0.4
169.04988	0.8
169.10075	0.8
170.10959	0.3
171.06500	16.8
171.11658	3.1
173.08159	0.5
173.09622	1.7
173.13245	4.5
175.11183	0.9
175.14792	3.6
177.05498	0.4
177.09091	1.5
177.12723	0.3
177.16367	2.3
179.06976	0.5
179.10609	1.1
179.14337	0.7
181.04901	0.4
181.10220	0.3
181.12215	0.4
183.06506	0.6
183.11597	1.2
185.09581	0.4
185.13237	3.3
187.05980	0.5
187.09624	0.3
187.11197	0.7
187.14799	6.3
189.05800	0.5
189.07552	8.3
189.09016	0.7
189.12749	0.4
189.16353	5.0
191.10655	1.4
191.14323	0.4
191.17914	5.5
193.04907	0.3
193.12263	0.9
193.19525	0.6
195.06522	0.5
195.11606	0.3
197.07990	0.3
197.13232	0.9
199.06027	0.6
199.11102	0.3
199.14760	1.9
201.11171	0.3
201.12801	0.9
201.16357	4.6
203.10699	0.6
203.14299	0.7
203.17923	5.2
205.12204	0.6
205.15843	0.3
205.19489	0.6
207.06468	0.6
207.13820	0.5
207.17447	0.7
209.13293	0.5
211.14828	1.3
213.07521	0.3
213.12788	0.6
213.16336	1.8
215.14261	0.7
215.17941	2.0
217.07120	0.3
217.12247	0.6
217.15929	0.5
217.19472	1.4
219.13629	1.0
219.21188	0.4
221.13524	0.3
221.15437	0.8
221.19017	0.4
223.06059	0.7
223.14816	0.3
225.07542	4.7
225.12631	0.3
225.16333	0.8
227.14346	0.5
227.17860	0.9
229.12364	0.4
229.15897	0.6
229.19484	1.0
231.13741	1.4
231.17238	0.4
231.21017	0.5
233.15295	1.4
235.16927	0.8
237.07721	0.5
237.16350	0.5
239.17917	0.5
241.06969	0.4
241.15858	0.3
241.19443	1.1
243.08612	3.8
243.13812	0.3
243.17412	0.4
243.21101	0.8
245.15309	1.9
247.16916	6.1
253.19540	0.9
255.08615	1.4
255.17383	0.3
255.21060	1.3
257.15274	0.3
257.19049	0.3
259.08115	0.9
259.16846	1.2
261.09711	1.2
261.18591	0.4
265.19446	0.5
267.17566	0.3
267.21014	0.7
269.22687	0.5
271.16925	0.4
271.20477	0.4
273.09619	1.4
273.18509	0.4
275.20047	0.6
279.10727	4.2
279.21097	0.4
283.20718	0.3
285.18509	0.5
285.21881	0.3
287.20090	0.6
289.21759	0.3
295.20728	0.4
295.23959	0.4
297.22183	0.7
299.11108	0.4
299.20016	0.7
299.23511	0.5
301.21591	1.1
303.23297	0.3
307.24167	0.3
309.11819	1.1
309.25815	0.7
313.21561	1.6
315.23151	3.5
321.25671	0.3
323.23712	0.3
323.27438	0.4
327.23291	0.4
329.24731	0.4
339.23166	0.3
339.26773	0.3
341.24817	0.4
351.26828	0.7
353.24780	0.3
355.26123	0.5
369.27847	5.9
373.27335	0.5
377.32019	1.9
381.27786	1.3
387.28867	2.2
391.28458	0.7
391.33557	0.9
395.33435	1.8
399.28775	0.6
401.31409	0.5
409.34601	2.8
419.32953	1.9
423.32947	0.3
431.33362	0.3
435.32553	0.5
437.34106	20.7
438.34464	0.8
441.29785	0.8
447.31949	0.2
449.33957	0.4
453.33728	2.1
455.35156	39.3
456.35425	1.9
465.33444	0.6
467.35229	2.2
473.34836	0.3
479.35028	0.8
485.35999	0.3
487.35886	0.4
489.33868	0.4
491.35223	0.4
497.36459	1.0
505.36539	0.4
507.34726	1.3
509.36038	0.9
511.36014	0.3
519.38123	0.3
521.36029	0.3
523.38232	0.3
529.36682	1.5
533.36407	1.5
537.39667	0.3
547.37793	8.1
548.37762	0.5
551.37280	0.9
565.38794	8.5
566.38922	0.4
569.38019	0.6
583.39990	1.2
587.39270	1.8
601.40503	0.4
679.41211	0.3
697.43018	0.6
733.44525	0.4
895.50464	1.4
1101.59985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03883	0.3
79.05479	4.7
81.03403	2.5
81.07040	13.0
83.01310	0.2
83.04964	26.8
83.08615	1.7
85.02888	100.0
86.03215	0.7
86.06061	0.4
87.04465	1.8
91.03949	0.5
91.05454	5.4
93.06424	0.3
93.07024	10.3
95.04962	2.9
95.08588	15.5
96.08914	0.4
97.02872	17.6
97.06518	1.3
97.10130	1.4
99.04437	3.9
101.02310	0.3
101.06013	0.8
103.03915	0.6
103.05469	0.7
105.04517	0.3
105.07009	9.0
107.04967	0.4
107.08571	15.4
109.02867	1.9
109.06509	1.6
109.10134	19.7
111.04421	21.8
111.08071	0.8
111.11686	0.4
113.02361	0.6
113.05994	0.8
114.09129	0.6
115.03905	9.3
117.05467	0.4
117.06981	1.9
119.04856	0.2
119.07706	0.5
119.08556	11.8
121.06483	0.9
121.10121	13.2
123.04377	0.6
123.08112	1.4
123.11683	26.1
125.02402	0.3
125.05994	0.8
125.09592	0.5
127.03889	6.8
127.11180	0.3
128.06261	0.3
129.05453	29.1
129.07022	0.8
131.08548	4.4
133.04958	1.9
133.06491	0.4
133.10104	10.2
135.04390	0.7
135.08069	1.7
135.11664	12.5
137.05934	0.8
137.09590	0.5
137.13226	4.7
139.03886	2.1
139.07520	0.8
139.11172	0.3
141.05458	0.3
142.07776	0.5
143.03374	0.3
143.08543	2.4
144.09279	0.4
145.04930	4.2
145.06134	0.4
145.10092	6.7
147.04494	0.5
147.06496	9.8
147.11653	6.8
149.09587	0.9
149.13228	5.0
151.03873	0.4
151.07504	0.9
151.11179	0.4
151.14796	0.7
153.05452	0.9
153.09087	0.7
153.12668	0.4
155.08531	0.8
157.04935	0.8
157.10104	3.1
158.10774	0.3
159.08028	1.0
159.11664	6.5
160.12109	0.3
161.09624	0.9
161.13228	6.2
161.14499	0.5
163.03879	0.5
163.06168	1.3
163.07327	1.3
163.11143	0.9
163.14804	4.3
165.05470	0.4
165.07764	0.5
165.09108	1.3
165.12697	0.3
165.46873	0.3
167.08533	0.3
167.10599	0.4
168.09273	0.3
169.04973	0.5
169.10085	0.9
171.06499	18.7
171.11653	3.4
173.08253	0.4
173.09592	1.6
173.13214	4.5
175.06020	0.3
175.11197	0.9
175.14781	4.2
177.09070	1.9
177.16333	2.3
179.07034	0.4
179.10683	0.8
179.14282	0.8
181.05020	0.4
181.10138	0.3
181.12230	0.4
183.06490	0.3
183.11646	1.2
185.09692	0.3
185.13213	3.5
187.11188	0.7
187.14783	7.0
189.07558	7.3
189.09023	0.6
189.12712	0.4
189.16331	4.7
191.09100	0.4
191.10593	1.8
191.14333	0.5
191.17908	6.4
193.12233	0.7
193.19438	0.6
195.06454	0.4
195.11800	0.5
196.12421	0.3
197.13214	1.7
199.05992	1.1
199.11162	0.5
199.14760	2.0
201.12805	1.1
201.16325	4.2
203.10547	0.6
203.14282	0.6
203.17920	5.2
205.12230	0.6
205.15820	0.4
205.19505	0.7
207.06502	1.0
207.11888	0.3
207.13823	0.4
207.17506	0.4
209.13242	0.5
211.14760	1.2
213.07526	0.4
213.12750	0.3
213.16359	1.8
215.14279	0.8
215.17961	1.5
217.12271	0.5
217.19513	1.5
219.13826	1.1
219.20982	0.5
221.13417	0.3
221.15370	1.1
221.18901	0.6
223.05972	0.5
223.14819	0.5
225.07545	5.0
225.16383	0.9
227.14256	0.3
227.17966	1.1
229.15886	0.6
229.19484	1.0
231.08626	0.6
231.13770	1.4
231.17374	0.4
231.21126	0.3
233.15350	1.8
235.16862	0.7
237.07549	0.5
237.16402	0.3
239.17946	0.9
241.07031	0.6
241.15805	0.4
241.19444	0.8
243.08591	3.5
243.21130	0.9
245.15201	1.7
247.16875	5.4
249.18456	0.5
251.17923	0.5
253.19456	0.8
255.08627	1.6
255.17433	0.3
255.20995	1.5
257.15375	0.4
259.08115	1.0
259.16998	0.6
261.09747	1.3
265.19467	0.3
267.17688	0.3
267.21027	0.8
269.19131	0.3
269.22626	0.6
271.16916	0.5
271.20633	0.4
273.09625	1.1
273.18491	0.5
275.20078	0.6
279.10703	3.7
279.21259	0.3
281.22620	0.5
285.18619	0.5
285.22064	0.4
287.20139	0.5
297.22162	0.6
299.20157	0.7
301.21518	0.8
303.23099	0.5
309.11841	1.1
309.25674	0.6
311.27438	0.3
313.21695	1.9
315.23123	4.3
323.27213	0.4
327.23190	0.4
335.13620	0.4
341.24728	0.4
351.26819	0.7
355.25974	0.4
363.26727	0.3
367.26273	0.5
369.27817	5.8
373.27451	0.4
377.32031	1.7
381.27811	1.2
387.28961	1.5
391.28705	0.6
391.33548	0.7
395.33279	1.7
399.28690	0.6
409.34589	2.2
410.35126	0.4
419.32974	1.8
435.32645	0.4
437.34082	22.1
438.34424	0.9
441.29861	0.8
449.34183	0.6
453.33594	2.2
455.35156	41.1
456.35803	1.4
465.33347	0.5
467.35153	3.0
479.35065	0.8
497.35974	0.6
505.37009	0.3
507.34674	1.3
509.36206	1.1
515.35077	0.4
521.35864	0.3
523.37781	0.8
529.36517	1.7
533.36194	2.0
547.37793	7.8
551.37030	1.1
565.38879	7.6
566.39026	0.4
569.38617	0.4
583.39972	0.8
587.39526	1.5
601.40601	0.7
679.41846	0.4
697.42792	0.5
733.44714	0.4
749.44263	0.4
895.50159	1.5
1101.61414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	4.6
79.11391	0.2
81.03405	3.2
81.07042	14.6
83.04966	21.7
83.08604	2.1
84.04332	0.2
85.02889	100.0
86.03212	0.8
87.04449	3.1
91.03930	0.5
91.05462	6.5
91.76888	0.3
93.07028	11.1
95.04951	3.8
95.08591	15.6
97.02874	20.6
97.06506	1.4
97.10157	1.0
98.03233	0.4
99.04434	4.6
101.02370	0.3
101.05986	0.9
103.03927	1.1
103.05433	0.3
105.07011	9.3
107.04938	0.7
107.08571	13.7
109.02853	2.3
109.03481	0.3
109.06518	1.2
109.10134	21.1
111.04423	25.7
111.08044	0.8
111.11710	0.7
113.02343	0.9
113.05968	2.3
115.03912	11.4
115.05409	0.4
117.05489	2.1
117.07005	1.8
119.08563	11.8
121.06475	1.0
121.10126	14.4
122.75064	0.3
123.04405	0.6
123.08064	1.6
123.11683	27.0
124.11977	0.3
125.05948	0.9
125.09629	0.3
127.03900	6.3
128.06229	0.6
129.05455	42.8
129.07018	1.1
131.08543	4.4
133.04951	2.1
133.06491	0.3
133.10106	9.9
134.10455	0.4
135.04431	0.9
135.08051	1.9
135.11668	12.5
137.05983	0.8
137.09549	0.4
137.13225	4.5
139.03896	2.0
139.07549	0.8
139.11174	0.5
140.76045	0.3
141.05399	0.5
141.06966	0.5
141.69000	0.3
142.07738	0.6
143.08534	2.9
144.09296	0.4
145.04918	5.5
145.10101	7.0
147.06505	13.2
147.07831	0.7
147.11647	7.1
149.05963	0.4
149.09604	1.2
149.13239	5.3
151.03876	0.5
151.07561	1.1
151.11169	0.8
151.14873	0.3
153.05432	1.3
153.09058	1.2
153.12711	0.5
155.08511	0.6
156.09294	0.4
157.04970	1.1
157.10112	3.8
158.10860	0.4
159.06569	0.4
159.08015	0.7
159.11673	7.7
161.09613	1.5
161.13235	6.2
163.06172	1.6
163.07504	1.4
163.11151	1.0
163.14799	4.5
165.05461	0.4
165.07587	0.8
165.09105	1.2
165.12750	0.6
167.10657	0.4
169.04918	1.1
169.10127	1.2
171.06508	4.2
171.11659	3.3
173.08147	0.7
173.09605	2.0
173.13237	5.9
175.11182	0.8
175.14790	4.0
177.09090	1.5
177.12698	0.5
177.16367	1.9
179.07027	0.7
179.10672	1.1
179.14259	1.0
181.04915	0.5
183.06520	0.6
183.11647	1.4
185.09677	0.5
185.13223	3.5
187.05885	0.3
187.11168	0.9
187.14787	6.4
189.07556	8.5
189.09050	0.7
189.12770	0.8
189.16339	5.6
191.10631	1.8
191.14243	0.4
191.17915	7.3
193.12123	0.4
193.15704	0.4
193.19545	0.9
195.06464	0.7
195.11703	0.5
197.13235	1.1
199.06010	0.9
199.14760	2.2
201.12685	1.3
201.16341	4.9
203.10759	0.5
203.14349	0.6
203.17931	6.1
205.12190	0.9
205.19502	0.7
207.06479	0.9
207.17386	0.9
209.13251	0.5
211.14818	0.9
213.07555	0.6
213.12721	0.6
213.16371	1.4
215.10782	0.4
215.14279	0.8
215.17859	1.6
217.12230	1.0
217.15790	0.6
217.19487	1.6
219.13803	1.4
219.21065	0.4
221.15305	0.9
223.05986	0.7
223.14784	0.6
225.07539	6.3
225.16411	0.7
227.14236	0.6
227.17976	1.3
229.15887	0.7
229.19510	0.7
231.08624	0.5
231.13757	2.0
233.15300	1.6
235.16954	0.8
237.07535	0.7
237.16365	0.5
239.09096	0.6
239.17828	0.7
241.07007	0.8
241.15779	0.4
241.19502	1.1
243.08617	5.1
243.13808	0.4
243.21059	0.9
245.15306	2.6
247.16893	7.5
253.19580	1.4
255.08627	1.8
255.21013	1.7
257.15472	0.3
257.22620	0.4
259.08075	0.9
259.16895	0.7
261.09555	2.0
261.18469	0.6
267.21054	0.8
269.22513	0.6
271.16977	0.9
273.09674	1.2
273.18414	0.7
275.20129	0.6
279.10703	5.7
279.21182	0.4
283.24109	0.4
285.18530	0.4
285.21750	0.4
287.20059	0.4
289.21542	0.4
293.22488	0.4
295.24048	0.4
297.22137	0.8
299.20029	0.9
299.23395	0.4
301.21622	1.3
303.23221	0.7
307.24176	0.3
309.11636	1.6
309.25821	0.6
313.21573	2.0
315.23215	3.9
323.27252	0.3
327.23193	0.4
339.23178	0.3
341.24756	0.6
351.26672	0.6
355.26291	0.7
367.26068	0.7
369.27826	6.1
373.27393	1.1
375.30334	0.5
377.32062	2.0
381.27841	1.3
383.29263	0.4
387.28903	1.9
391.28329	1.3
391.33545	0.9
395.28680	0.4
395.33203	2.4
397.30908	0.4
399.29034	0.5
401.31934	0.4
409.34662	2.6
419.33157	2.7
435.32605	0.7
437.34085	25.4
438.34183	1.0
441.29828	0.8
449.34552	0.3
453.33658	2.5
455.35156	43.4
456.35526	1.7
465.33618	0.6
467.35303	2.9
479.35056	0.7
497.36371	0.7
505.36243	0.4
507.34570	1.3
509.35818	0.9
511.36209	0.4
515.34894	0.4
521.36133	0.6
523.37958	0.6
529.36426	1.6
533.36279	1.8
539.37103	0.4
547.37732	10.0
551.37573	1.4
557.67725	0.3
565.38861	8.0
566.39197	0.4
569.38013	0.4
583.39563	0.8
587.39252	1.9
601.40717	0.4
679.42102	0.9
697.43292	0.7
733.44598	0.7
895.50128	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	1093.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03929	0.3
79.05479	3.1
81.03400	3.1
81.07040	6.9
83.01341	0.3
83.04965	8.2
83.08610	1.5
84.08147	0.2
85.02888	84.1
85.06525	0.9
86.03194	0.4
87.04464	2.0
91.03939	0.4
91.05465	3.7
92.08278	0.2
93.07027	6.3
95.04951	2.0
95.08589	11.0
97.02872	15.6
97.06515	0.9
97.10152	0.7
98.20617	0.4
99.04443	6.1
99.08073	0.8
101.02358	0.3
101.05994	0.4
103.03918	0.6
103.05437	0.2
105.07012	6.2
107.04962	0.4
107.08572	10.0
109.02857	2.5
109.06519	0.8
109.10133	11.7
111.04416	5.0
111.08066	0.6
111.11736	0.3
113.02357	0.5
113.05999	0.5
113.09656	0.2
114.09096	0.3
115.03905	6.6
117.05464	2.4
117.06992	0.9
119.04914	0.4
119.08556	8.8
121.02872	0.3
121.06487	0.6
121.09244	0.5
121.10123	9.6
123.04423	0.7
123.08064	0.8
123.11682	9.1
123.12608	0.3
125.05949	0.5
125.09603	3.2
127.03895	6.5
127.11160	2.5
129.05457	19.2
129.07031	0.7
131.08542	2.7
133.04941	0.8
133.06451	0.3
133.10110	8.8
135.04434	0.5
135.08060	1.3
135.11664	8.4
137.05974	0.7
137.09605	0.8
137.13232	2.5
139.03891	1.8
139.07556	0.4
139.11176	0.8
141.06921	0.2
141.12723	0.6
142.07776	0.5
143.07031	0.2
143.08545	1.5
143.10654	2.0
145.02838	0.3
145.04930	5.9
145.10106	4.7
147.04526	0.3
147.06497	5.7
147.07834	0.4
147.11653	5.9
149.05995	0.3
149.09557	1.1
149.13240	3.6
151.03889	0.4
151.07570	0.4
151.11153	0.4
151.14818	0.5
153.05481	0.4
153.12741	0.6
155.08565	0.5
156.09259	0.2
157.04961	1.1
157.10101	2.7
158.10910	0.4
159.08063	0.6
159.11670	5.2
159.12921	0.4
161.05952	0.3
161.09576	1.0
161.13231	4.3
163.03906	0.4
163.06010	2.4
163.07521	0.7
163.11172	0.5
163.14810	2.5
165.05418	0.4
165.07695	0.3
165.09105	0.5
165.12756	0.4
167.10699	0.2
167.14326	0.3
169.04932	0.2
169.10152	0.8
170.10771	0.2
171.06540	1.2
171.11667	2.5
173.09601	0.6
173.13219	3.7
175.11163	0.9
175.14792	3.3
177.05455	0.3
177.09180	0.3
177.12766	0.4
177.16336	2.1
177.74245	0.2
179.06990	0.3
179.10654	0.3
179.14291	0.5
181.10139	0.3
183.06587	0.2
183.11664	1.2
185.13254	2.5
187.07587	0.2
187.11180	0.6
187.14784	3.5
189.12766	0.6
189.16324	3.9
191.10651	0.5
191.14354	0.6
191.17905	4.2
193.10106	0.2
193.12183	0.5
193.15858	0.3
195.06465	0.4
195.11754	0.4
197.13213	1.0
199.06004	0.3
199.11159	0.3
199.14760	2.2
201.12874	0.3
201.16342	3.4
203.14301	0.8
203.17929	3.0
205.12244	0.5
205.15842	0.4
205.19588	0.3
207.06528	0.4
207.13808	0.3
207.17455	0.4
209.13286	0.7
211.14748	1.1
213.12808	0.4
213.16350	1.5
215.14339	0.5
215.17924	1.5
217.15944	0.5
217.19458	1.2
219.13785	0.6
219.17476	0.5
221.15297	0.4
221.18896	0.2
223.14790	0.4
225.07532	2.8
225.16406	0.7
227.14287	0.5
227.17876	1.3
229.15875	0.8
229.19421	0.5
231.13846	0.3
231.17453	0.2
233.15314	0.9
233.18961	0.3
235.16949	0.4
237.16451	0.5
239.17944	0.6
241.15823	0.4
241.19423	1.0
243.08638	2.8
243.17445	0.5
243.21005	0.5
245.15405	0.9
247.16890	2.4
249.18512	0.3
251.18155	0.3
253.19487	0.9
255.21027	1.5
257.18964	0.4
259.20743	0.4
261.09674	1.9
261.18475	0.5
265.19559	0.2
267.21027	0.6
269.18945	0.3
269.22617	0.5
271.20642	0.3
273.09720	0.4
273.18698	0.3
273.22147	0.6
275.20087	0.5
279.10724	2.4
279.21121	0.5
281.22501	0.4
283.20428	0.5
283.23846	0.2
285.22165	0.6
287.20093	0.5
287.23566	0.3
289.21649	0.4
295.20715	0.3
295.24023	0.3
297.22095	0.6
299.20230	0.3
299.23557	0.5
301.21628	0.5
303.23044	0.4
309.11731	0.4
309.25873	0.3
311.23776	0.4
313.21729	0.5
313.25101	0.3
315.23120	2.8
319.22961	0.2
321.25760	0.3
323.27502	0.3
327.23239	0.4
329.24713	0.4
333.25388	0.3
339.26797	0.5
341.24744	0.3
349.28622	0.3
351.27048	0.5
355.26239	0.2
357.27786	0.2
367.29950	0.3
369.27798	0.6
377.32214	0.4
381.27747	0.3
387.29199	0.2
391.33777	0.3
395.33014	2.2
401.31769	0.4
407.33060	0.9
409.34769	1.8
419.33032	3.4
425.34219	1.1
437.34082	15.8
438.34354	0.4
443.35672	0.2
453.33841	0.2
455.35153	34.1
456.35632	0.9
471.34662	0.4
473.36188	52.0
474.36563	1.3
491.37079	1.6
547.37982	0.3
565.38538	0.3
581.32904	0.2
583.40393	0.3
587.39417	1.9
605.40393	24.7
606.40717	0.3
623.41766	0.5
687.85431	0.2
715.44489	0.2
733.45062	11.1
734.45599	0.3
747.35938	0.3
751.46106	100.0
752.46454	4.0
769.46704	0.4
792.06812	0.2
997.82361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	1.9
79.68162	0.1
81.03394	1.5
81.07037	5.1
83.01321	0.1
83.04962	3.5
83.08597	1.1
84.04487	0.1
85.02885	20.5
85.06519	0.7
86.03249	0.1
87.04443	1.1
89.03909	0.1
91.03940	0.4
91.05453	3.0
93.06422	0.2
93.07024	5.1
95.04942	1.2
95.08585	7.8
96.93132	0.1
97.02870	9.0
97.06515	0.5
97.10152	0.9
98.03178	0.1
99.04437	1.7
99.08073	0.5
101.02348	0.1
101.05991	2.0
103.03925	0.3
103.05473	0.2
105.06368	0.1
105.07006	4.3
107.04958	0.3
107.08569	8.3
109.02854	1.5
109.06490	0.7
109.10132	7.9
110.21751	0.1
111.04417	4.5
111.07382	0.1
111.08026	0.5
111.11693	0.1
113.06001	0.2
113.09636	0.2
114.09151	0.2
115.03905	3.7
115.05367	0.2
117.05478	0.3
117.06982	0.8
119.04920	0.5
119.08555	6.5
121.06489	0.5
121.10116	6.9
122.10440	0.1
123.04402	0.3
123.08035	0.6
123.11678	5.6
125.05981	0.3
125.09604	2.1
125.10487	0.2
125.13254	0.1
127.03886	3.0
127.07507	0.2
127.11169	1.7
128.06216	0.2
129.05453	4.4
129.06990	0.5
131.04852	0.1
131.08548	1.9
133.04944	2.0
133.06470	0.2
133.10098	6.8
135.04407	0.2
135.08029	0.8
135.11661	7.3
137.05991	0.4
137.09628	0.5
137.13223	2.4
139.03862	0.5
139.07564	0.2
139.11168	0.5
141.07024	0.2
141.12689	0.6
143.08556	1.3
143.10638	3.3
145.02888	0.2
145.04919	2.9
145.06314	0.1
145.06523	0.1
145.10094	3.5
147.04399	2.0
147.06483	3.3
147.07982	0.3
147.11646	4.5
149.05951	0.2
149.09578	0.7
149.13222	3.1
151.03865	0.2
151.07523	0.3
151.11140	0.5
151.14813	0.4
153.05420	0.2
153.09082	0.3
153.12697	0.6
155.08527	0.3
157.04970	0.4
157.10095	1.9
158.10890	0.3
159.08043	0.4
159.11661	3.8
160.12135	0.1
161.09593	1.1
161.13228	3.8
163.03903	0.4
163.06010	0.5
163.07533	0.4
163.11131	0.3
163.14778	1.6
165.09084	0.3
165.12788	0.3
167.10655	0.1
167.14287	0.2
169.04990	0.2
169.10097	0.6
170.10875	0.1
171.06509	0.4
171.07985	0.2
171.11641	1.9
172.12462	0.1
173.09644	0.5
173.13228	2.9
175.11160	0.6
175.14795	2.2
175.16318	0.2
177.05489	0.4
177.09090	0.3
177.12733	0.4
177.16325	1.3
179.06993	0.2
179.10617	0.5
179.14226	0.5
181.04932	0.2
181.10110	0.3
183.11594	0.7
184.12500	0.1
185.09572	0.3
185.13234	1.7
187.06018	0.2
187.11192	0.4
187.14772	2.4
189.12712	0.6
189.16353	2.5
191.10699	0.3
191.14270	0.5
191.17894	1.8
193.12169	0.3
195.11703	0.3
197.13214	0.9
199.06004	0.4
199.14766	1.3
201.07611	0.1
201.12766	0.2
201.16351	1.9
203.10666	0.1
203.14340	0.5
203.17915	2.7
205.12193	0.3
205.15883	0.4
205.19461	0.2
207.06500	0.2
207.11827	0.1
207.13799	0.2
207.17474	0.3
209.13232	0.4
211.14790	0.8
213.12766	0.2
213.16307	1.3
215.14291	0.5
215.17899	1.0
217.07095	0.3
217.15878	0.3
217.19475	1.0
219.13814	0.5
219.17511	0.3
221.15300	0.3
221.18951	0.1
223.05963	0.4
223.14786	0.4
225.07520	1.1
225.16341	0.6
227.14243	0.3
227.17905	0.7
229.15875	0.3
229.19447	0.3
231.13863	0.3
231.17406	0.4
231.21056	0.1
233.15327	0.9
233.18925	0.2
235.16913	0.3
237.16431	0.2
239.17963	0.4
241.07010	0.6
241.15817	0.3
241.19391	0.7
243.08606	1.0
243.17438	0.2
243.21017	0.3
245.15332	0.5
245.19090	0.3
247.16901	1.1
249.16200	0.2
249.18562	0.2
251.17905	0.3
253.19540	0.6
255.17380	0.1
255.18300	0.1
255.21019	1.1
257.18973	0.3
259.08105	0.6
259.17224	0.2
259.20581	0.6
261.09683	0.6
261.18546	0.3
261.22049	0.2
263.16449	0.1
265.19531	0.2
267.17694	0.1
267.21045	0.4
269.19095	0.2
269.22635	0.4
271.16965	0.1
271.20502	0.3
271.23730	0.1
273.09650	0.1
273.18518	0.2
273.22101	0.5
275.20081	0.3
277.09219	0.2
279.10709	1.0
279.21121	0.3
283.20544	0.4
283.24066	0.2
285.22159	0.5
287.20117	0.3
287.23654	0.2
289.21802	0.2
293.22525	0.1
295.10287	0.4
295.20596	0.1
297.22177	0.4
299.20404	0.1
299.23611	0.6
301.21613	0.7
302.58557	0.1
303.23123	0.4
309.12039	0.3
309.25848	0.4
311.23737	0.3
313.21652	0.3
313.25128	0.2
315.23172	1.5
315.26581	0.1
317.24692	0.1
321.25607	0.1
323.23746	0.2
323.27267	0.2
325.25235	0.2
327.23242	0.2
327.26654	0.1
329.24792	0.2
333.25421	0.2
339.26660	0.2
341.24774	0.1
349.28970	0.2
351.26819	0.4
353.24576	0.2
353.28598	0.1
367.26364	0.2
367.30270	0.2
369.27859	0.4
377.32339	0.2
381.27490	0.2
385.31406	0.2
391.33374	0.2
393.22095	0.1
393.31589	0.3
395.33163	1.5
409.34555	0.9
413.34207	0.1
419.32938	1.2
425.33987	0.2
427.35818	0.1
435.32437	0.1
437.34076	5.8
453.33362	0.2
455.35123	28.3
456.35559	0.7
459.37585	0.1
471.34521	0.2
473.36154	100.0
474.36530	2.8
489.35718	1.3
490.35916	0.2
491.37228	6.9
492.38022	0.1
533.36475	0.2
587.39233	0.5
605.40338	6.5
606.40649	0.2
621.39655	0.5
623.41193	0.4
635.41486	0.3
653.42297	1.7
733.45172	0.2
749.44305	0.2
751.46149	2.7
767.45740	2.0
895.49146	0.4
913.50824	0.2
1116.83350	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	1093.5777
Annotation	Yesanchinoside G
Peak:m/z	Relative Intensity
77.03922	0.1
79.05472	2.1
81.03400	1.0
81.07037	5.4
83.01319	0.1
83.04961	6.4
83.08601	1.4
83.50142	0.2
85.02883	59.3
85.06511	0.8
86.03204	0.2
86.06039	0.1
87.04447	1.5
89.06036	0.1
91.05453	2.6
93.07019	5.6
95.04945	1.4
95.08582	7.9
97.02867	7.9
97.06499	0.8
97.10142	1.1
99.04427	5.0
99.08060	0.7
101.02352	0.1
101.06004	0.4
103.03910	0.3
103.05448	0.2
104.17690	0.1
105.04493	0.1
105.07005	5.1
107.04935	0.4
107.08564	9.1
109.02838	0.6
109.06493	0.6
109.10129	8.4
109.10929	0.1
110.10449	0.1
111.04415	4.0
111.08064	0.4
111.11710	0.3
113.02346	0.3
113.05976	0.4
113.09609	0.2
115.03902	5.0
115.05332	0.2
117.05463	2.5
117.06962	0.7
119.04869	0.1
119.08549	7.4
121.02782	0.1
121.06482	0.7
121.10114	7.5
123.04414	0.5
123.08044	0.5
123.11677	5.9
125.05975	0.4
125.09597	3.3
127.03877	1.8
127.04819	0.1
127.07512	0.3
127.11166	1.9
128.06204	0.2
129.05444	14.1
129.07004	0.5
130.05775	0.1
130.07739	0.1
131.08531	2.2
133.04944	0.6
133.06467	0.4
133.10094	7.0
134.10468	0.1
135.04422	0.3
135.08031	1.1
135.11658	7.1
136.12001	0.1
137.02316	0.1
137.05893	0.4
137.09587	0.6
137.13216	2.5
139.03871	1.3
139.07533	0.3
139.11145	0.6
141.05444	0.1
141.06831	0.1
141.12697	0.7
142.07727	0.2
143.03375	0.2
143.06960	0.1
143.08563	1.3
143.10637	5.4
144.09312	0.2
144.11047	0.1
145.04927	1.5
145.06543	0.1
145.10088	4.3
146.10872	0.1
147.04494	0.1
147.05298	0.1
147.06485	2.9
147.07999	0.6
147.11642	5.1
147.97440	0.1
149.05934	0.2
149.09573	0.9
149.13219	3.0
151.03864	0.3
151.07513	0.3
151.11113	0.4
151.14774	0.3
153.05428	0.4
153.09085	0.2
153.12679	0.5
155.07257	0.1
155.08516	0.4
155.10542	0.1
156.09311	0.3
157.04932	0.6
157.10091	2.2
158.10875	0.2
159.06587	0.1
159.08032	0.3
159.11656	4.4
160.12326	0.1
161.05907	0.1
161.09586	1.0
161.13217	3.5
162.13707	0.1
163.03909	0.2
163.05978	1.1
163.07526	0.3
163.11134	0.4
163.14784	2.1
165.05429	0.2
165.09065	0.2
165.12729	0.2
167.08527	0.1
167.10672	0.3
167.14302	0.2
169.04926	0.3
169.10085	0.9
169.15843	0.1
170.10880	0.2
171.06512	1.0
171.08026	0.1
171.11646	2.1
172.12375	0.2
173.09636	0.5
173.13222	3.2
174.13902	0.1
175.11172	0.7
175.14787	2.0
177.05473	0.1
177.09053	0.4
177.12750	0.4
177.16319	1.4
179.06989	0.2
179.10622	0.5
179.14215	0.4
181.04895	0.2
181.10075	0.2
181.12192	0.1
181.15819	0.1
182.10840	0.1
183.06483	0.1
183.11655	0.9
184.08693	0.1
184.12415	0.1
185.09654	0.2
185.13200	1.9
186.13933	0.1
187.06000	0.1
187.09727	0.1
187.11237	0.3
187.14772	2.8
189.05345	0.1
189.09099	0.1
189.12715	0.5
189.16335	2.7
191.10582	0.3
191.14279	0.4
191.17902	2.2
193.10463	0.1
193.12175	0.3
193.15871	0.2
195.06424	0.2
195.11676	0.4
195.13504	0.1
195.17404	0.1
196.12392	0.1
197.08057	0.1
197.13203	0.9
199.06007	0.2
199.11137	0.3
199.14754	1.8
201.07533	0.1
201.12747	0.5
201.16339	2.9
203.10597	0.1
203.14276	0.6
203.17909	2.5
204.18314	0.1
205.12119	0.3
205.15878	0.3
205.19527	0.1
207.06509	0.2
207.11824	0.1
207.13771	0.2
207.17445	0.2
209.13205	0.5
211.11293	0.1
211.14763	1.0
213.07526	0.2
213.12968	0.3
213.16336	1.4
213.18398	0.1
214.16916	0.1
215.14409	0.5
215.17880	1.3
217.07060	0.1
217.12244	0.2
217.15929	0.5
217.19463	1.0
219.13744	0.6
219.17238	0.3
221.13239	0.2
221.15356	0.3
221.18977	0.1
222.13948	0.1
223.14781	0.5
225.07527	1.6
225.12691	0.1
225.16306	0.7
227.14392	0.3
227.17908	0.8
229.15787	0.4
229.19415	0.5
231.13803	0.4
231.17375	0.4
231.20981	0.1
233.15320	0.8
233.18996	0.2
235.14734	0.2
235.16937	0.3
237.16472	0.4
237.18427	0.1
239.17961	0.5
241.15775	0.3
241.19469	0.7
243.08556	1.1
243.13727	0.1
243.17505	0.2
243.21016	0.3
245.15341	0.6
245.18988	0.3
245.22684	0.1
247.14574	0.1
247.16861	1.0
247.20642	0.1
249.16466	0.1
249.18510	0.2
251.18167	0.3
253.15840	0.1
253.19472	0.6
255.17380	0.2
255.21001	1.2
257.15506	0.1
257.18997	0.4
257.22528	0.2
259.17035	0.4
259.20441	0.6
261.09680	0.7
261.18469	0.3
261.21936	0.1
265.19431	0.2
267.17599	0.1
267.21030	0.3
269.19034	0.2
269.22577	0.5
271.17630	0.1
271.20358	0.3
273.18472	0.2
273.22095	0.5
275.20078	0.2
277.19336	0.1
279.10751	0.9
279.21075	0.4
281.19360	0.1
281.22620	0.3
283.20560	0.4
283.24100	0.2
285.18430	0.2
285.22107	0.5
287.20071	0.3
287.23468	0.1
289.21524	0.2
293.22485	0.3
295.20523	0.2
295.24155	0.2
297.22110	0.5
299.20016	0.2
299.23685	0.4
301.21536	0.6
301.24823	0.1
303.23212	0.2
305.22571	0.1
307.24130	0.2
309.22220	0.1
309.25659	0.4
311.23651	0.2
311.26959	0.1
313.21576	0.3
313.25238	0.2
315.23111	1.8
315.26370	0.1
319.22748	0.1
321.25577	0.2
323.23755	0.1
323.27322	0.1
325.21707	0.1
325.25226	0.2
325.28732	0.1
327.23154	0.2
327.26770	0.1
329.24710	0.2
331.23062	0.1
333.25748	0.4
335.27301	0.1
339.26758	0.3
341.24561	0.2
347.27042	0.1
349.24988	0.1
349.28851	0.1
351.26862	0.5
353.24417	0.1
353.28326	0.2
355.26291	0.2
357.27765	0.1
359.25690	0.1
363.26532	0.1
367.26031	0.1
367.29999	0.2
369.27570	0.4
377.32050	0.3
381.27863	0.1
383.29233	0.1
385.31195	0.1
391.33554	0.2
393.31403	0.1
395.28668	0.1
395.33130	1.6
401.31778	0.2
407.32959	0.2
409.34576	1.0
413.34332	0.1
419.33032	1.5
425.34271	0.1
437.34052	6.4
438.34497	0.3
453.33524	0.1
455.35104	18.5
456.35434	0.7
473.36145	30.0
474.36487	0.9
491.37265	1.9
492.38025	0.1
533.36377	0.1
565.38910	0.1
581.32886	0.1
583.39771	0.1
587.39136	0.7
601.40460	0.1
605.40320	13.6
606.40912	0.5
623.41455	0.9
635.40668	0.1
653.42548	0.6
715.44220	0.1
733.45020	5.5
734.45319	0.3
751.46002	100.0
752.46454	4.5
769.47089	3.9
769.57611	0.1
769.61493	0.1
770.47327	0.3
785.46710	0.2
931.52118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.64911	0.7
53.03938	12.1
55.01842	1.5
55.05500	9.0
65.03922	3.4
66.49129	1.1
67.04234	2.3
67.05495	100.0
68.05832	2.2
69.07056	5.2
70.15497	4.2
72.93770	3.6
74.99799	1.9
75.49660	1.2
77.99911	3.6
79.05479	11.1
80.05009	1.1
80.06258	0.9
81.02931	1.5
81.03407	25.3
81.07045	36.9
82.03728	1.2
82.06566	12.9
82.07349	1.0
84.00333	1.3
86.00685	6.9
86.50605	9.4
87.00452	75.2
90.94816	2.7
91.05458	2.4
92.04994	0.8
94.04156	1.6
94.07802	1.3
95.01212	1.1
95.51127	1.5
96.00968	14.8
98.21332	1.0
98.51241	11.6
99.59892	0.8
107.08607	4.7
108.95846	1.5
109.02858	7.7
109.06505	24.1
109.07654	3.5
109.10142	79.3
110.02013	0.9
110.06032	23.6
110.06783	2.0
110.10471	2.9
111.04440	1.0
111.96865	3.3
112.96703	3.2
113.96385	33.8
119.01910	0.8
125.92709	0.9
129.97890	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	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03940	2.7
55.05500	9.1
55.06099	0.7
65.03928	3.0
67.05492	100.0
68.05840	3.3
69.07058	4.7
70.10828	2.6
70.37046	0.7
71.94061	0.8
72.93774	1.1
74.99828	1.4
75.49641	0.7
77.99967	0.9
79.05470	6.0
80.06248	1.4
81.03415	2.9
81.07042	29.4
82.06574	6.7
82.07373	0.8
84.80881	0.7
86.00665	0.7
86.50604	5.5
87.00449	18.5
91.05525	0.8
92.04984	0.6
94.07789	1.2
95.51129	0.7
96.00957	4.4
98.01389	2.3
98.51231	5.8
107.08572	4.7
109.02843	0.9
109.06510	2.6
109.07621	1.6
109.10140	58.3
110.06027	11.6
110.10472	2.5
112.96689	2.7
113.96380	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00309	1.0
53.03945	7.3
54.04284	0.7
55.05509	8.9
65.03127	0.7
65.03630	0.8
65.03925	5.2
67.05495	100.0
68.05824	2.2
69.07062	5.5
70.17633	3.8
72.93769	2.0
77.99923	1.5
79.05479	7.2
81.03410	19.3
81.07043	32.3
82.06561	9.8
86.00681	1.9
86.50602	1.3
87.00449	26.4
87.00986	1.5
90.94795	1.0
91.05465	1.9
94.04188	0.9
94.07805	1.3
96.00976	4.2
98.21416	1.3
98.51237	2.9
107.08596	4.4
109.02853	5.3
109.06501	9.3
109.07648	1.2
109.10139	61.3
110.06030	10.7
110.06745	0.7
110.10468	2.9
112.96725	0.7
113.96389	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	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02345	1.0
53.03704	1.1
53.03939	13.9
55.01859	4.5
55.05502	4.0
55.93521	0.8
65.03928	5.7
66.04690	0.8
66.49150	1.0
67.04230	2.9
67.05494	51.9
68.05820	1.0
68.99369	0.7
69.07046	3.0
70.04927	3.7
71.94116	1.0
72.93769	3.6
74.99786	1.0
77.99921	2.4
79.05482	32.3
80.04984	1.4
80.05813	1.0
81.03408	24.3
81.07043	44.4
82.03717	1.0
82.06569	13.6
82.07339	1.1
84.00359	0.9
86.00688	6.6
86.50609	9.3
87.00451	66.1
89.50726	0.8
90.94798	1.8
91.05463	11.6
92.05807	1.0
94.04172	3.1
94.07822	1.3
95.01226	1.0
95.04967	1.5
95.51129	2.3
96.00970	13.3
97.51523	1.0
98.01392	1.5
98.20719	1.2
98.51240	11.0
107.04891	1.4
107.08585	1.3
108.95862	1.5
109.02873	8.0
109.06500	100.0
109.07677	2.5
109.10139	32.4
110.02016	0.7
110.05239	0.9
110.06036	22.6
110.06829	3.1
111.96859	3.3
112.96730	4.0
113.96382	26.4
129.97888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03937	9.2
55.01869	4.7
55.05506	4.4
65.03931	3.7
66.04700	0.8
66.49148	0.6
67.04228	1.4
67.05494	35.5
68.05830	1.0
69.07047	1.7
70.62006	0.5
72.93771	2.8
74.59067	0.5
74.99799	0.7
77.99918	2.3
79.05480	30.2
80.05812	0.7
81.03409	15.6
81.07043	39.1
82.06569	8.1
82.07353	0.7
86.00673	4.5
86.50607	4.5
87.00450	47.5
89.50725	0.8
90.94804	0.8
91.05453	8.8
92.04990	0.8
92.05794	0.9
94.01249	0.6
94.04158	3.3
95.04991	0.9
96.00964	9.9
97.51475	0.7
98.01359	0.8
98.20706	1.2
98.51235	10.5
107.04971	1.1
107.08582	1.2
108.95840	1.1
109.02870	4.9
109.06500	100.0
109.10136	23.1
110.06021	14.4
110.06833	3.3
110.10486	0.8
111.96861	2.7
112.96719	1.5
113.96381	24.9
129.97906	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	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02375	0.6
53.03714	0.6
53.03942	9.0
55.01866	3.7
55.05500	3.8
65.03918	3.3
66.04706	0.8
67.04227	1.0
67.05495	36.7
69.07056	1.8
71.14249	1.5
71.94067	0.6
72.93763	2.0
75.49671	0.8
77.99930	2.4
79.05480	25.7
81.03407	16.5
81.07043	36.5
82.06559	8.1
82.07355	0.8
86.00680	4.2
86.28960	0.6
86.50596	4.9
87.00452	44.9
89.50726	0.7
90.94817	0.8
91.05466	9.0
92.05005	0.8
92.05762	0.6
94.04171	2.9
94.07877	0.7
95.01197	1.2
95.04974	0.9
96.00974	8.6
97.51508	0.6
98.51249	7.5
105.01514	0.6
107.08611	1.4
108.95821	0.7
109.02863	5.2
109.06502	100.0
109.10138	26.2
110.02028	0.7
110.06030	12.0
110.06847	4.2
110.10440	0.7
111.96871	2.1
112.96694	2.3
113.96384	20.5
117.99718	0.6
118.78934	0.6
119.89631	0.6
129.97908	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	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02359	1.2
53.03940	9.1
55.01867	3.1
55.05497	5.8
55.19265	0.6
57.79874	0.6
65.03935	4.7
67.05494	63.8
68.05813	1.6
69.07056	3.6
70.17358	3.4
72.93749	1.2
79.05481	32.3
80.05818	1.0
81.03411	11.9
81.07043	48.1
82.06578	6.2
82.07344	1.0
86.00663	1.1
86.50626	1.2
87.00444	15.5
87.00980	1.0
91.05461	8.8
94.04171	3.2
94.07822	0.8
94.32903	0.6
95.04978	0.7
96.00968	3.4
98.20689	1.0
98.51243	1.8
103.91608	0.7
107.04912	0.7
107.08571	2.5
109.02855	3.6
109.06501	100.0
109.10140	49.4
110.06018	7.3
110.06834	3.3
110.10483	1.1
111.96843	0.8
112.81035	0.7
112.96712	0.7
113.96381	7.3
115.19353	0.6
121.44157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0649
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03705	1.0
53.03939	12.6
55.01863	4.1
55.05496	5.1
65.03928	5.3
66.04712	0.7
66.49125	1.2
67.04249	3.0
67.05494	60.7
68.05009	1.1
68.05816	1.2
69.07047	3.6
70.94240	0.9
71.75539	0.6
71.79539	0.9
71.94068	0.6
72.93771	5.4
74.99821	1.5
75.49661	0.9
77.99911	3.5
79.05478	29.4
80.05000	0.8
80.05804	0.8
81.03407	27.9
81.07042	42.0
82.06564	17.7
82.07323	0.8
86.00691	8.4
86.50596	6.3
87.00449	86.2
89.50719	1.6
90.94814	2.9
91.05466	8.9
92.04985	1.2
94.04169	3.8
94.07809	1.0
95.01184	2.0
95.04938	0.9
95.51121	0.8
96.00971	17.1
97.51460	3.0
98.01384	2.5
98.19160	0.6
98.51234	23.3
98.51878	1.1
107.04924	1.0
107.08546	1.8
107.51763	1.0
108.95866	2.0
109.02869	11.0
109.06499	100.0
109.07554	5.3
109.08473	2.2
109.10135	41.0
110.02014	2.5
110.06032	24.9
110.06815	2.8
110.10423	0.9
111.96854	4.4
112.96692	2.9
113.96379	34.9
120.84247	0.7
124.88227	0.7
129.97878	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	1077.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04505	0.1
77.03913	0.1
79.05471	1.4
81.03405	0.3
81.07041	3.2
81.83309	0.1
82.07370	0.1
83.04963	8.7
83.08595	0.4
84.05266	0.1
85.02886	4.0
85.06518	0.3
87.04457	0.2
91.05458	10.0
93.07023	2.9
95.04948	2.0
95.08585	3.9
96.08900	0.1
97.02876	1.0
97.06508	0.4
97.10149	0.4
98.20648	0.2
99.04420	0.3
99.08068	0.3
101.05983	0.1
103.05437	0.2
105.07011	3.5
105.68549	0.1
107.04933	2.4
107.08570	4.6
109.06475	0.4
109.09381	0.2
109.10130	3.6
111.04421	6.6
111.08051	0.4
112.04742	0.1
113.05997	0.1
115.03902	0.6
115.05394	0.2
117.03401	0.1
117.06978	0.7
119.04916	18.9
119.08550	4.3
120.05227	0.2
121.02860	0.4
121.06498	0.4
121.10115	3.3
121.38580	0.1
122.10386	0.1
123.04398	0.6
123.08063	0.4
123.11677	2.2
125.05939	0.1
125.09592	1.8
127.03883	0.2
127.07547	0.1
127.11160	1.2
128.06218	0.2
129.05466	1.7
129.06964	0.4
130.07770	0.1
131.04907	0.3
131.08536	2.0
133.04974	0.2
133.06444	0.5
133.10101	3.9
134.10449	0.1
135.08006	0.7
135.11662	2.2
137.05934	0.2
137.09583	0.5
137.13229	0.4
138.60300	0.1
139.07510	0.2
139.11134	0.3
141.06960	0.2
141.12683	0.3
141.55386	0.1
142.07794	0.2
143.08548	1.1
143.10635	3.3
144.05655	0.2
144.09265	0.2
145.02759	0.1
145.06490	0.5
145.10101	2.9
147.04375	100.0
147.11641	2.8
148.04698	1.5
149.05937	0.2
149.09618	0.6
149.13232	1.6
150.13565	0.1
151.03871	0.4
151.07498	0.1
151.11171	0.4
151.14771	0.1
153.05428	0.2
153.12682	0.3
155.08508	0.4
157.06506	0.3
157.10092	1.7
158.10825	0.1
159.08051	0.5
159.11661	4.0
161.06039	0.2
161.09599	0.6
161.13222	2.8
163.03897	0.5
163.07536	0.2
163.11143	0.4
163.14758	0.5
165.05453	0.8
165.06940	0.3
165.09081	0.2
165.12816	0.2
167.07173	0.1
167.08557	0.4
167.10689	0.1
169.04936	2.1
169.06415	0.3
169.10083	0.6
170.07265	0.1
171.06674	0.1
171.08022	0.4
171.11653	1.5
172.12410	0.1
173.05951	1.3
173.09596	0.3
173.13226	2.2
175.11131	0.5
175.14774	1.5
176.00243	0.1
177.05428	0.3
177.09073	0.2
177.12712	0.5
177.16472	0.5
177.17755	0.1
179.10663	0.4
179.14278	0.3
181.10081	0.2
183.11644	0.6
185.09622	0.8
185.13200	1.3
187.07481	1.0
187.11166	0.2
187.14795	1.7
189.09059	0.2
189.12758	0.4
189.16328	0.7
191.10651	0.2
191.14256	0.3
191.17860	0.2
193.12245	0.1
193.15829	0.1
195.07983	0.2
195.11761	0.5
195.13496	0.1
197.05998	0.2
197.13193	0.8
198.06821	0.1
199.11168	0.1
199.14772	1.2
201.12663	0.3
201.16360	1.5
203.14278	0.4
203.17955	0.4
205.15781	0.6
207.17566	0.1
209.13216	0.4
211.07532	0.2
211.14806	0.8
213.09062	2.0
213.12709	0.2
213.16347	0.8
215.06967	0.5
215.14261	0.3
215.17921	0.7
217.04919	0.2
217.12271	0.2
217.15829	0.4
217.19403	0.1
219.13776	0.2
219.17416	0.4
221.15353	0.1
223.14815	0.3
225.07550	0.1
225.16313	0.4
227.14281	0.2
227.17917	0.5
229.08519	0.5
229.15839	0.3
229.19511	0.2
231.10133	1.5
231.13719	0.3
231.17419	0.2
233.15302	0.3
235.14830	0.1
235.16974	0.2
237.16339	0.3
239.06956	0.2
239.09180	0.3
239.17931	0.4
241.19519	0.4
243.08614	0.1
243.17398	0.3
245.15332	0.3
245.18964	0.2
247.16908	0.5
249.16277	0.2
251.17891	0.2
253.19489	0.4
255.17499	0.3
255.20990	0.2
257.08029	1.7
257.18909	0.3
259.20526	0.3
261.18631	0.1
263.17841	0.2
265.19553	0.2
267.17670	0.1
267.21112	0.4
269.19159	0.1
271.16809	0.2
271.20557	0.3
273.18436	0.5
273.22186	0.1
275.09058	2.7
275.20117	0.1
277.19516	0.1
279.08469	0.3
279.11227	0.1
281.19064	0.1
281.22614	0.2
283.20538	0.3
285.18896	0.1
285.22159	0.3
287.20139	0.1
293.10126	33.5
294.10593	0.6
295.20578	0.3
297.21970	0.2
299.23672	0.2
301.21518	0.5
305.22571	0.1
307.24139	0.2
309.09653	0.2
309.22058	0.2
311.20303	0.2
311.23773	0.2
313.21463	0.5
313.25055	0.1
315.23126	0.1
321.25793	0.1
323.23642	0.2
325.25092	0.2
327.22964	0.2
331.23447	0.1
337.25021	0.1
341.24805	0.2
349.25061	0.1
351.26907	0.1
353.28299	0.4
359.26593	0.1
365.28366	0.1
367.26093	0.3
367.30185	0.2
371.96512	0.1
377.28323	0.3
381.31607	0.2
383.29581	0.1
385.27176	0.1
393.31500	0.6
395.29126	0.9
395.32791	0.1
403.13931	0.1
405.31693	0.3
407.32928	0.3
411.32465	0.2
413.30527	0.7
415.36346	0.1
417.31522	0.4
423.32626	0.7
425.14313	0.6
425.33841	0.2
435.32471	1.5
439.15948	1.1
441.33502	0.7
453.33554	3.6
454.33511	0.2
455.34937	0.2
469.33044	0.2
470.33444	0.1
471.34637	7.1
472.35080	0.2
473.36307	0.6
487.34164	0.6
488.34323	0.5
489.35663	38.3
490.35941	1.3
507.36774	4.4
507.44244	0.2
508.37213	0.1
563.37561	0.2
581.38159	0.3
599.39465	0.4
603.38855	1.3
605.40552	0.1
617.38928	0.6
620.39032	0.2
621.39850	22.6
622.40076	0.9
635.40057	0.9
639.40881	1.6
653.41986	0.7
660.85822	0.1
767.45007	0.2
781.45074	0.4
785.46326	0.2
799.45990	0.3
913.48590	0.2
1059.53455	0.2
1077.56458	0.2
1092.47754	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	1075.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
75.02360	0.1
75.04463	0.1
77.03896	0.1
79.05467	0.8
81.03403	1.2
81.07036	1.7
83.04963	10.7
83.08595	0.4
84.05295	0.1
85.02886	5.6
85.05373	0.1
85.06519	0.3
86.03239	0.1
86.09647	0.1
87.00804	0.2
87.04432	0.2
91.05457	7.6
92.05787	0.1
93.06474	0.2
93.07027	1.5
95.04948	2.1
95.08585	2.2
97.02296	0.2
97.02872	2.0
97.06494	0.4
97.10141	0.3
98.03249	0.1
99.04439	0.6
99.08067	0.7
103.05419	0.1
105.01828	0.3
105.07011	1.3
107.04936	2.4
107.08567	3.7
108.08841	0.1
109.02851	1.2
109.06517	0.4
109.10140	2.1
111.04420	7.0
111.08068	0.2
111.11695	0.1
112.04758	0.1
113.05985	0.2
115.03898	0.2
117.03364	0.2
117.06981	0.2
119.04918	17.1
119.08543	1.6
120.05227	0.2
121.02841	0.2
121.06462	0.2
121.10121	2.4
123.04433	0.7
123.08054	0.2
123.11678	1.4
125.05972	0.3
125.08693	0.1
125.09602	1.6
127.03885	2.4
127.07536	0.2
127.11140	0.2
128.06168	0.2
129.05450	2.1
129.06926	0.2
130.74896	0.1
131.04895	0.3
131.08534	0.7
133.06461	0.5
133.10098	1.3
135.04340	0.1
135.08034	0.6
135.10612	0.1
135.11664	2.1
137.05919	0.2
137.09572	0.5
137.13193	0.4
139.11159	0.2
141.06935	0.3
143.08533	0.4
143.10645	2.3
144.05659	0.2
144.09286	0.1
145.02815	0.7
145.04921	0.3
145.06491	0.4
145.10095	1.6
147.04376	100.0
147.11642	1.2
148.04726	1.7
149.05989	0.2
149.09578	1.4
149.13199	0.9
151.03886	0.5
151.11133	0.4
151.14746	0.1
151.15974	0.1
152.06181	0.2
153.05441	0.3
155.08472	0.2
157.04982	0.2
157.06467	0.2
157.10141	0.6
159.07999	0.3
159.11662	1.2
161.05945	0.2
161.09570	0.2
161.13235	1.0
163.03880	0.2
163.11151	0.3
163.14792	0.5
165.05495	0.8
165.06850	0.2
167.08528	0.2
167.10617	0.1
169.04944	2.5
169.06380	0.2
169.10095	0.2
170.07251	0.2
171.06606	0.1
171.08043	0.3
171.11633	0.3
173.05942	1.7
173.09518	0.1
173.13211	0.7
175.03867	0.1
175.14833	0.5
177.05447	1.4
177.12776	0.1
177.16367	0.2
179.14259	0.1
183.07959	0.1
183.11653	0.3
185.09618	0.7
185.13168	0.3
187.05948	0.2
187.07487	1.3
187.14842	0.7
189.09117	0.2
189.16306	0.8
191.03352	0.2
191.10652	0.1
191.14319	0.1
191.17892	2.3
193.04941	0.1
193.08571	0.1
195.08015	0.3
197.05949	0.3
197.13171	0.2
198.06693	0.1
199.14835	0.4
201.16342	0.8
203.17891	0.7
205.15750	0.2
211.07501	0.2
213.03911	0.4
213.09082	2.3
213.16356	0.5
215.06950	0.7
215.17932	0.4
217.05029	0.2
217.15836	1.0
217.19476	0.3
219.17386	0.1
223.06104	0.1
227.17963	0.2
229.08517	0.6
229.15746	0.1
229.19601	0.1
231.05017	0.7
231.10112	2.3
231.17392	0.8
233.08034	0.1
233.15372	0.4
234.98961	0.1
235.16939	0.3
239.06969	0.2
239.09111	0.9
239.17996	0.1
241.19510	0.1
243.21007	0.2
247.17027	0.2
249.18384	0.4
255.21201	0.2
257.08002	2.4
257.10172	0.2
257.22629	0.3
265.19537	0.1
274.27338	0.1
275.09033	2.5
279.10895	0.1
279.20993	0.1
281.22787	0.1
283.20636	0.1
285.22095	0.1
293.10126	35.3
294.10419	0.8
294.22903	0.1
295.24249	0.1
299.23569	0.1
309.09531	0.2
315.26810	0.1
317.05014	0.3
323.11111	0.7
335.06052	0.5
335.27206	0.2
336.06625	0.1
341.28314	0.2
351.30402	0.1
354.96988	0.1
369.27417	0.1
369.31586	0.2
391.28189	0.1
403.13727	0.7
403.33664	0.1
421.14767	0.7
421.34576	2.0
425.65448	0.1
437.34146	0.4
438.34912	0.2
439.15900	2.6
439.35651	7.4
440.35818	0.3
455.15540	0.2
455.35092	1.3
456.35568	0.5
456.53815	0.1
457.36688	15.4
458.36911	0.7
473.36230	1.4
474.36438	0.7
475.37631	0.7
547.37885	0.2
565.38293	0.2
589.40472	0.1
601.20667	0.1
601.40576	0.3
619.41925	6.0
620.42499	0.3
747.46564	0.2
751.44971	0.1
765.47693	2.4
766.47821	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	1075.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04453	0.2
76.53930	0.1
77.03853	0.1
79.05473	1.0
81.03392	0.3
81.06590	0.2
81.07040	1.9
83.04962	7.2
83.08601	0.4
83.50162	0.1
85.02889	4.5
85.05360	0.1
85.06525	0.4
87.04443	0.2
91.05460	9.4
92.05773	0.1
93.07031	1.8
94.56046	0.1
95.04953	1.1
95.08586	2.5
97.02873	0.6
97.06496	0.3
97.10153	0.4
99.04423	0.4
99.08071	0.9
105.07018	1.4
107.04948	1.0
107.08569	4.1
109.02818	0.3
109.06516	0.3
109.10132	2.0
111.04420	6.4
111.08124	0.2
113.05962	0.2
115.05405	0.2
117.06985	0.3
119.04917	19.9
119.08559	1.7
121.02876	0.2
121.06482	0.3
121.10118	3.2
123.04419	0.3
123.08043	0.3
123.11684	1.2
125.05957	0.2
125.09602	2.3
127.03880	0.7
127.07535	0.3
127.11171	0.3
128.06174	0.1
129.05455	1.9
129.06932	0.2
130.07675	0.1
131.04881	0.2
131.08530	0.6
133.06435	0.2
133.10098	1.6
135.04340	0.1
135.08031	1.1
135.11668	2.1
137.05894	0.2
137.09578	0.7
137.13197	0.5
139.03860	0.1
141.06970	0.4
143.08560	0.2
143.10649	3.3
144.05757	0.1
145.04926	0.3
145.06439	0.3
145.10107	1.7
147.04378	100.0
147.11649	1.3
148.04710	0.9
149.05959	0.2
149.09573	1.9
149.10777	0.1
149.13225	0.8
151.03870	0.3
151.11139	0.4
152.06091	0.1
153.05440	0.9
153.12749	0.1
155.08482	0.1
157.04961	0.3
157.06470	0.2
157.10098	0.6
159.04301	0.1
159.08035	0.4
159.11667	1.3
161.05954	0.1
161.09628	0.2
161.13217	1.2
163.03874	0.1
163.11143	0.2
163.14751	0.6
165.05461	2.5
165.06793	0.2
167.08574	0.1
167.14287	0.1
169.04933	1.0
169.06409	0.3
169.10091	0.2
171.06627	0.1
171.08018	0.2
171.11606	0.5
173.02359	0.2
173.05959	0.6
173.13222	0.7
175.11143	0.1
175.14778	0.5
177.05460	0.3
177.12775	0.1
177.16435	0.2
179.06917	0.1
179.14258	0.2
183.08008	0.2
183.11662	0.2
185.05934	0.4
185.09589	0.3
185.13188	0.3
187.07489	0.7
187.08965	0.1
187.14778	0.7
189.05432	0.1
189.16365	0.9
191.03368	0.5
191.14377	0.2
191.17905	3.0
193.08569	0.1
195.08124	0.1
197.05951	0.9
197.13274	0.2
199.03902	0.3
199.14798	0.6
201.16324	1.0
203.14352	0.1
203.17894	1.0
205.15849	0.2
205.19321	0.1
207.17361	0.1
211.07489	0.4
211.14830	0.3
213.07443	0.2
213.09099	0.8
213.16356	0.6
215.06941	1.0
215.17903	0.4
217.05049	0.1
217.15840	0.8
217.19481	0.4
219.17374	0.2
221.08176	0.1
225.16368	0.1
227.17906	0.2
229.08617	0.2
229.19476	0.1
231.10197	0.6
231.17432	1.2
233.08022	0.2
233.15273	0.4
233.18927	0.2
235.16910	0.4
237.07416	0.1
239.06952	0.8
239.09145	1.3
243.21071	0.2
245.19064	0.2
249.18459	0.5
255.21124	0.2
257.08035	1.8
257.10251	0.5
257.22568	0.5
269.22656	0.1
273.09659	0.2
275.08890	0.7
275.11670	0.1
281.22513	0.1
283.20529	0.1
285.22043	0.1
293.10132	25.9
294.10498	0.3
309.09653	0.2
315.26581	0.1
335.27295	0.2
341.28372	0.3
351.30499	0.1
369.31470	0.2
390.13409	0.1
403.13715	0.7
403.33630	0.2
421.14877	1.1
421.34546	3.2
439.15921	3.6
439.35641	12.3
440.16177	0.1
440.36115	0.2
455.15363	0.3
457.36691	19.5
458.36981	0.5
473.35840	0.1
475.37634	0.6
576.04285	0.1
601.40955	0.5
619.41962	7.6
620.42218	0.2
747.46844	0.2
765.47656	2.4
766.48120	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	1075.5659
Annotation	Ardisimamilloside G
Peak:m/z	Relative Intensity
75.04472	2.6
79.05476	8.8
81.03422	3.0
81.07043	20.2
83.04967	16.5
83.08606	3.4
85.02891	53.4
85.06511	1.4
86.03225	0.8
87.04459	1.0
91.03963	0.6
91.05464	11.6
93.07027	18.0
95.04957	6.0
95.08588	25.1
97.02301	1.0
97.02880	12.6
97.06532	2.0
97.10151	2.1
99.04438	5.0
99.08060	0.9
103.03918	0.7
103.05426	0.8
105.07014	20.2
106.07275	0.6
107.04906	1.4
107.08575	26.3
108.08913	0.8
109.02865	1.5
109.06513	2.8
109.10136	27.3
110.10487	0.6
111.04422	17.0
111.08063	3.0
111.11705	1.6
113.06013	0.7
114.09149	0.9
115.03905	6.3
115.05444	0.7
116.06272	0.6
117.06989	3.7
119.04941	4.5
119.08563	23.1
120.69657	0.5
121.06512	2.0
121.10128	19.5
123.08044	3.6
123.11685	13.6
125.05975	2.0
125.09612	1.9
125.13270	0.6
127.03872	5.9
127.07541	0.6
127.11166	2.0
128.06161	0.6
129.05458	18.9
129.06993	1.8
131.08543	10.5
131.09438	0.9
133.04964	1.1
133.06502	0.7
133.10106	23.3
135.08063	2.7
135.11673	14.9
137.06012	1.2
137.09599	12.2
137.13229	3.3
139.03909	0.7
139.07477	1.2
139.11189	0.6
141.09090	1.4
143.08557	4.3
144.09297	1.2
145.02951	0.6
145.04951	4.5
145.06474	0.6
145.10109	16.5
147.04388	19.5
147.06499	9.0
147.07831	1.1
147.11658	17.8
149.09569	3.1
149.13234	9.4
151.07544	0.6
151.11179	1.4
151.14874	1.0
153.05508	0.6
153.09084	1.4
153.12750	0.9
155.08527	1.0
156.09311	0.6
157.10104	6.2
158.10919	0.6
159.08035	1.0
159.10316	1.2
159.11673	17.6
161.09610	2.9
161.13231	17.2
163.03864	1.2
163.06030	1.5
163.07474	1.1
163.11171	2.3
163.14790	6.8
165.05458	1.4
165.09079	2.1
165.12796	0.9
167.08604	0.5
167.10692	0.8
169.10101	2.3
170.10902	0.7
171.06496	1.1
171.07993	0.6
171.11662	6.4
173.09593	1.0
173.13228	12.4
175.11201	1.5
175.14780	8.3
177.05417	0.7
177.09106	1.3
177.12752	2.2
177.16304	3.6
179.10617	2.1
179.14240	1.2
181.10078	0.8
181.12254	0.9
183.11630	2.8
185.13223	5.7
187.11145	0.7
187.14793	9.1
189.12779	1.6
189.16333	6.5
191.10675	1.4
191.14276	1.4
191.17923	3.7
193.08507	0.6
193.12267	1.4
195.06419	0.6
195.11726	1.2
197.13222	3.3
199.11125	0.7
199.14792	5.6
201.12715	1.6
201.16316	6.6
201.81949	0.5
203.10565	0.6
203.14314	1.3
203.17911	3.8
205.12231	1.1
205.15852	3.9
207.11914	0.6
207.13820	1.5
207.17436	1.5
209.13257	1.3
211.14781	2.9
213.12775	0.9
213.16289	3.6
215.14357	0.8
215.17917	3.8
217.12209	1.1
217.15826	1.0
217.19490	0.8
219.13831	1.0
219.17491	1.4
221.15376	1.1
223.14792	1.2
225.07556	2.8
225.16394	1.8
227.17923	3.5
229.19485	1.9
229.71243	0.6
231.13773	0.9
231.17516	0.9
233.15347	1.3
233.18947	1.0
235.16940	0.9
237.07547	0.8
237.16432	1.0
239.17964	2.2
241.06969	0.6
241.19487	2.2
243.08638	2.6
243.17426	0.9
243.21063	2.2
245.15355	1.1
245.18947	0.6
247.16956	2.9
249.18518	1.8
251.18027	0.9
253.15926	0.6
253.19504	2.2
255.08646	1.5
255.17429	0.8
255.21080	1.2
257.18860	0.9
257.22690	0.8
259.08148	0.6
259.16861	0.9
259.20593	0.8
261.09741	1.0
261.18622	0.8
265.19617	0.6
267.21167	1.6
269.18967	0.6
269.22672	1.5
271.16953	1.1
271.20551	1.0
273.09659	2.5
273.18475	2.6
275.20129	1.2
279.10751	4.2
281.19257	0.5
281.22565	1.3
283.20529	1.5
283.24454	0.6
285.18625	0.7
285.22116	1.9
287.19968	1.7
293.12323	0.8
293.22650	1.0
295.24057	0.7
297.22015	1.0
299.20099	1.1
301.21597	2.1
303.23044	1.3
309.12061	4.9
309.25775	0.7
311.20029	0.8
311.23505	1.0
313.21603	1.6
313.25104	1.0
315.23221	2.5
321.25864	1.3
323.23694	0.6
323.27460	0.7
327.23123	1.1
329.24695	9.1
331.22705	0.7
333.24268	0.9
337.28781	1.4
339.26947	0.9
341.24643	2.6
343.26053	0.6
349.29410	0.6
355.26254	0.9
357.24152	1.3
357.27847	1.9
359.25870	1.6
369.27872	5.3
369.74063	0.6
377.26874	1.8
377.31943	1.4
379.29990	0.6
381.27731	1.5
383.29172	0.7
387.28876	4.6
395.33463	0.7
397.30927	15.0
401.31900	0.8
405.29874	4.7
407.32986	1.8
409.34848	1.4
417.29614	1.1
419.33029	3.6
425.34067	9.3
427.35754	0.9
435.32605	1.3
437.34097	27.7
438.34338	0.9
445.36725	2.2
453.33707	5.0
455.35175	24.7
456.35583	2.1
471.34647	14.3
471.41254	0.9
473.36203	100.0
474.36395	4.9
489.35703	28.4
490.35898	1.1
497.35968	2.1
515.37207	2.3
527.37439	1.3
539.37128	0.8
547.37335	1.8
551.37128	1.8
557.38080	0.8
565.38800	8.4
566.39569	0.6
569.38568	1.3
583.39905	8.4
584.39807	0.7
587.39386	6.3
588.40186	0.6
601.41083	0.8
603.38745	0.8
605.40369	18.9
606.40814	1.2
619.41693	1.8
621.39606	1.8
733.44745	1.5
751.46033	6.8
767.46045	0.8
783.44385	0.8
911.49182	2.1
929.50708	1.7
983.31006	0.7
1075.56763	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	1075.567
Annotation	Ardisimamilloside G
Peak:m/z	Relative Intensity
75.04462	30.5
77.03931	0.4
79.05034	0.2
79.05475	5.1
81.03395	4.3
81.07037	15.0
83.01321	0.7
83.04962	12.5
83.06036	0.5
83.08598	3.2
85.02884	50.9
85.06508	0.7
86.84467	0.3
87.04456	3.5
91.03942	0.8
91.05462	7.0
93.07020	11.5
95.04952	4.7
95.06076	0.5
95.08585	19.7
97.02869	18.3
97.06496	1.8
97.10150	1.6
98.21433	0.3
99.04433	7.9
99.08054	1.7
101.05993	7.5
103.03930	0.9
103.05437	0.5
105.07003	9.8
105.07702	0.6
107.04921	1.3
107.08569	18.3
108.08859	0.4
109.02859	2.9
109.06506	2.4
109.10130	21.2
110.07140	1.0
110.10477	0.4
111.04416	18.7
111.08070	0.9
111.11701	0.9
113.02323	0.4
113.05981	0.8
113.09598	0.4
114.09123	0.4
115.03081	0.6
115.03901	11.4
115.05389	0.5
117.05465	2.4
117.06975	2.0
119.04924	2.9
119.08554	14.3
121.06500	2.6
121.10116	14.7
123.04413	0.8
123.08057	1.9
123.11684	9.9
125.05979	0.9
125.09596	3.7
127.03887	6.8
127.07574	0.3
127.11162	7.9
128.06186	0.7
129.05452	13.3
129.06886	1.5
131.08542	5.8
133.04942	7.2
133.06476	1.1
133.10095	13.2
135.04407	0.5
135.08044	2.9
135.11662	13.2
137.05962	0.9
137.09578	1.4
137.13211	5.4
139.03865	2.0
139.11171	0.8
141.06978	0.7
141.12683	0.7
142.07733	0.8
143.08519	3.5
143.10625	1.5
144.09291	0.4
145.02907	0.5
145.04930	6.1
145.06454	0.5
145.10088	9.2
147.04388	15.5
147.06465	10.4
147.08003	1.5
147.11652	9.4
148.04793	0.4
149.05943	0.5
149.08400	0.4
149.09554	2.6
149.13225	6.9
151.03856	1.1
151.07520	0.4
151.11150	0.9
151.14796	1.0
153.05457	0.7
153.09138	0.3
153.12743	1.1
155.08514	1.7
155.10593	2.0
156.07654	0.3
156.09311	0.4
157.04915	2.2
157.10103	5.4
158.10921	0.6
159.08012	1.4
159.11656	9.5
160.09650	0.4
160.12254	0.3
161.05986	0.4
161.09583	2.4
161.13222	6.6
163.03885	1.3
163.06006	2.7
163.07462	0.7
163.11214	0.9
163.14772	3.8
165.05486	0.4
165.09091	0.3
165.12747	0.8
167.07080	0.6
167.14317	0.8
169.04971	1.2
169.10095	2.3
170.10840	0.3
171.06528	2.3
171.07848	0.4
171.11655	5.0
172.12360	0.4
173.05989	0.4
173.09602	1.6
173.13203	6.7
175.07532	0.3
175.11174	1.9
175.14783	4.4
177.05414	1.5
177.09119	0.6
177.12744	0.8
177.16350	2.4
179.10628	0.7
179.14326	0.9
181.04948	1.0
181.08687	0.3
181.10161	0.7
181.12100	0.4
182.10843	0.3
183.11606	2.9
185.09610	0.3
185.13206	4.2
187.05960	0.6
187.07469	0.4
187.11197	1.2
187.14786	6.8
189.12712	1.4
189.16339	5.7
191.10625	0.5
191.14284	1.0
191.17908	6.9
191.19670	0.3
195.06468	0.6
195.11682	1.2
195.13615	0.6
197.13200	2.7
199.06015	1.5
199.11195	0.4
199.14740	3.7
201.12738	1.2
201.16347	5.8
203.10713	0.4
203.14316	1.5
203.17896	5.5
205.12132	0.5
205.15878	0.8
205.19508	0.4
207.06459	0.7
207.11852	0.4
207.13742	0.9
207.17412	0.6
209.13206	1.5
211.14745	3.1
212.15602	0.4
213.12778	0.8
213.16356	3.0
215.14296	2.0
215.17827	2.0
217.07059	0.9
217.15900	1.6
217.19487	1.9
219.13737	0.8
219.17400	0.4
221.15401	0.3
223.14774	1.3
224.15582	0.5
225.07526	3.9
225.16341	2.0
227.14310	0.8
227.17874	2.7
229.15849	2.2
229.19402	1.4
231.13821	0.4
231.17401	1.3
233.15273	2.2
233.18840	0.4
235.16962	0.7
237.16461	0.6
239.17883	1.4
241.15862	0.7
241.19450	2.3
243.08551	3.8
243.17426	1.3
243.21037	3.6
245.15303	0.8
245.19063	0.6
247.16823	2.2
247.20615	0.4
249.18501	0.6
251.17989	0.8
251.74095	0.3
253.15874	0.4
253.19493	2.4
255.17415	0.6
255.21036	2.0
257.18985	0.7
257.22705	0.5
259.07993	0.7
259.17087	0.4
259.20547	0.8
261.09601	2.3
261.18933	0.5
261.22101	2.8
265.19559	1.0
267.17703	0.4
267.21008	2.5
269.19016	0.9
269.22394	0.4
271.20581	0.9
273.18521	0.4
273.22031	0.5
275.20068	0.5
277.19421	0.5
279.10663	2.0
279.21039	0.9
281.19131	0.3
281.22525	0.6
283.20526	1.0
285.18811	0.6
285.22067	8.5
286.22205	0.3
287.20084	1.1
289.21576	0.5
293.10126	4.6
293.13141	0.5
293.22552	0.5
295.10220	1.2
295.20584	0.6
297.22101	1.4
297.25336	0.6
299.20160	0.3
299.23547	0.8
301.21613	1.5
303.23080	3.4
305.22714	0.5
307.24051	0.4
309.22015	0.7
309.25510	0.6
311.23715	1.4
313.21628	1.0
313.25064	0.5
315.23047	2.4
321.25687	0.6
323.27298	0.4
325.11227	1.3
325.25232	0.5
327.23218	0.6
327.26709	0.4
329.24768	0.5
331.22656	0.3
333.25879	0.9
337.25226	0.4
339.26810	1.1
347.27081	0.4
349.28906	1.7
351.26648	1.5
355.26462	0.4
363.26703	0.6
367.29987	0.7
369.27917	1.1
375.29782	0.3
377.32205	0.9
379.30118	0.5
381.27960	0.6
387.28888	1.1
389.32077	0.5
391.33716	0.4
395.33163	1.8
401.31915	0.8
407.33063	5.9
409.34656	2.2
413.34430	0.4
419.33002	11.7
420.33298	0.4
425.34085	11.7
425.39890	0.6
426.34445	0.4
427.35352	0.5
435.27255	0.8
437.34064	39.2
438.34448	1.2
439.15948	0.6
439.35611	1.1
443.35150	5.3
455.35123	75.7
456.35477	2.4
457.36731	2.1
471.34912	0.4
473.36169	100.0
474.36646	3.2
489.35666	0.7
515.36469	0.3
519.33197	0.3
551.37122	0.6
557.38147	0.5
569.38269	0.6
579.05249	0.3
581.33264	3.6
587.39301	4.1
605.40314	14.0
606.40570	0.5
617.40399	0.6
619.41705	0.6
635.41559	0.3
665.38892	1.1
703.43713	0.8
721.44604	0.9
733.45050	41.0
734.45544	2.3
751.46069	21.4
752.46320	0.7
895.48944	0.5
1015.47644	0.3
1075.55664	1.5
1078.01208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04462	2.5
79.05478	4.1
80.52529	0.2
81.03410	2.5
81.07038	10.0
83.01315	0.3
83.04961	9.6
83.08604	2.0
85.02886	100.0
85.06498	0.6
86.03208	0.6
86.06047	0.2
87.04452	2.9
88.89333	0.2
89.06021	0.2
91.03942	0.4
91.05452	4.6
93.06411	0.3
93.07022	8.7
95.04951	3.0
95.08585	14.9
97.02871	16.9
97.06503	1.2
97.10141	1.2
99.04432	7.2
99.08067	1.5
101.02372	0.3
101.05993	0.8
103.03921	1.0
103.05456	0.4
105.07008	8.5
107.04938	0.8
107.08570	13.7
109.02859	2.3
109.06497	1.8
109.10134	18.6
111.04419	6.9
111.08035	1.0
111.11681	0.4
113.02359	0.5
113.05946	0.6
113.09638	0.4
115.03082	0.5
115.03909	9.4
115.05453	0.3
117.05466	3.3
117.06959	1.5
119.08557	11.3
121.06494	1.8
121.10117	12.5
123.04398	0.6
123.08048	1.3
123.11681	9.0
125.05991	0.6
125.09609	3.5
127.03890	5.2
127.11163	6.8
128.06219	0.6
129.05452	26.5
129.07007	1.0
130.05788	0.4
130.07785	0.3
131.08540	4.4
133.04968	1.6
133.06488	0.6
133.10104	10.0
135.04398	0.3
135.08023	2.1
135.11665	11.2
137.05983	0.6
137.09598	1.0
137.13223	4.5
139.03860	2.4
139.07503	0.4
139.11169	0.8
141.05420	0.4
141.12688	0.4
142.07718	0.5
143.03421	0.4
143.08534	2.7
143.10638	0.9
144.09331	0.4
145.04939	6.2
145.10092	8.5
147.04530	0.4
147.06500	8.7
147.07994	1.4
147.11653	7.8
149.09573	1.7
149.13222	5.6
151.03877	0.4
151.07524	0.5
151.11151	1.0
151.14763	0.5
153.05450	0.6
153.12720	0.8
155.07083	0.3
155.08525	1.2
155.10603	1.4
156.09373	0.7
157.04956	1.0
157.10106	4.4
159.06726	0.3
159.08032	1.0
159.11658	8.0
160.12236	0.3
161.09595	2.0
161.13229	5.5
163.03902	0.4
163.06020	2.6
163.07390	0.3
163.11157	1.3
163.14781	2.8
165.05429	0.4
165.07608	0.3
165.09091	0.4
165.12711	0.7
167.08459	0.4
167.10617	0.4
167.14352	0.3
169.05002	0.4
169.10098	1.5
170.10886	0.6
171.06572	1.9
171.07988	0.4
171.11667	3.8
173.09668	1.0
173.13231	5.5
175.11154	1.7
175.14793	3.7
177.05489	0.3
177.12793	0.6
177.16367	2.0
179.05519	0.2
179.06985	0.4
179.10605	0.6
179.14291	0.9
181.04929	0.3
181.10063	0.6
182.10818	0.3
183.06650	0.3
183.11667	2.5
185.09613	0.6
185.13245	4.4
187.11168	1.1
187.14772	5.7
189.07571	0.3
189.12726	0.9
189.16345	5.6
191.10561	0.6
191.14316	0.6
191.17900	5.8
193.12308	0.3
193.15901	0.3
195.06493	0.4
195.11673	0.7
195.13751	0.4
196.12456	0.2
197.13197	2.5
197.14937	0.3
199.06058	0.5
199.11125	0.3
199.14767	3.3
200.15462	0.2
201.07526	0.3
201.12755	1.1
201.16341	5.0
201.18115	0.4
203.14317	0.9
203.17915	4.4
205.12270	0.3
205.15929	0.6
205.19551	0.4
207.06552	0.4
207.13855	0.3
207.17505	0.6
209.13223	0.9
209.15077	0.2
211.14735	2.7
212.15529	0.4
213.12711	0.5
213.16315	2.3
215.14337	1.3
215.17888	1.6
217.07124	0.3
217.12320	0.3
217.15930	1.3
217.19507	1.2
219.13884	0.6
219.17451	0.4
221.13214	0.3
221.15242	0.3
223.14783	0.9
225.07532	4.7
225.16304	1.6
226.17000	0.4
227.14261	0.7
227.17915	2.5
229.15797	1.3
229.19420	1.0
231.08736	0.3
231.13728	0.6
231.17390	0.7
233.15303	2.2
233.18857	0.3
235.17023	0.5
237.16501	0.3
239.18021	1.2
241.15822	0.3
241.19417	1.6
243.08626	3.5
243.17451	1.2
243.21027	2.5
245.15332	0.6
245.19038	0.5
247.16852	1.5
247.20462	0.3
249.18576	0.4
251.17928	0.9
253.19537	2.1
255.08652	0.4
255.17416	0.4
255.21034	1.9
257.18961	0.7
259.08026	0.3
259.16885	0.3
259.20572	0.7
261.09665	2.9
261.18472	0.7
261.22104	2.7
265.19550	0.5
267.20959	1.6
269.19089	0.8
269.22580	0.8
271.20541	0.8
273.09689	0.6
273.18661	0.4
273.22116	0.7
275.20099	0.5
277.19601	0.3
279.10666	4.0
279.21042	0.5
281.19122	0.5
281.22519	0.6
283.20526	0.8
283.23969	0.4
285.18768	0.4
285.22064	4.8
287.20007	0.7
287.23544	0.4
289.21738	0.3
291.21063	0.3
293.22583	0.3
295.20551	0.6
295.24091	0.5
297.22076	0.9
297.25452	0.3
299.23688	0.5
301.21594	1.4
303.23120	2.5
307.24176	0.3
309.11716	0.7
309.25745	0.7
311.23578	1.2
313.21548	0.7
313.25049	0.4
315.23190	2.0
319.23685	0.2
321.25546	0.4
323.23578	0.4
323.27237	0.5
325.11188	0.4
327.23346	0.5
329.24704	0.4
333.25662	1.0
337.25305	0.5
339.26816	0.7
341.24655	0.4
345.24335	0.3
347.27042	0.6
349.28888	1.3
351.26874	1.3
353.28760	0.3
365.28357	0.4
367.30035	0.5
369.27808	1.0
376.27533	0.3
377.27850	0.3
377.32050	0.6
387.28915	0.9
389.32004	0.4
391.33636	0.5
395.33261	1.8
401.32095	0.8
407.33026	4.3
409.34494	1.8
419.33023	11.1
420.33438	0.8
425.34033	8.9
426.34412	0.5
435.27158	0.8
437.34076	32.1
438.34409	1.6
443.28937	0.2
443.35114	4.0
455.35132	45.8
456.35498	2.2
473.36182	46.7
474.36551	2.4
497.36087	0.6
519.33606	0.3
557.38373	0.5
565.38715	0.2
569.38367	0.4
575.39368	0.5
578.12714	0.2
581.33051	4.8
583.40247	0.3
587.39343	8.0
588.39496	0.4
599.39209	0.2
601.41174	0.4
605.40363	21.7
606.40668	1.4
617.39917	0.4
665.38654	1.3
703.43903	1.0
715.44214	0.5
721.45154	1.3
733.45013	36.9
734.45264	2.3
751.46094	45.8
752.46417	3.2
895.49023	0.3
1075.58337	0.3
1080.82617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03948	3.6
55.01859	0.8
65.03929	10.3
67.05489	4.4
71.79205	0.8
74.63297	0.7
78.54543	0.7
78.93214	0.6
79.05482	51.1
80.05003	2.3
91.05466	100.0
92.05810	1.4
92.06253	3.6
93.05762	2.2
95.04956	7.5
105.04498	1.9
105.07017	28.3
106.07375	1.0
107.04945	17.4
107.08580	52.5
108.04453	4.1
108.08119	8.8
108.08848	1.2
109.06509	17.0
114.82407	0.7
119.06037	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02386	0.7
53.03941	7.2
55.01860	1.4
65.03932	8.2
67.05496	2.6
71.79929	0.7
75.15774	0.5
77.03929	1.0
79.05485	28.8
80.05010	2.7
81.03388	0.6
91.05473	76.5
92.05788	1.6
92.06264	2.2
93.05782	2.7
95.04961	12.2
96.05325	0.7
103.05447	0.6
105.04519	2.6
105.07022	23.9
106.07352	0.9
107.04947	100.0
107.08582	40.3
108.04482	3.4
108.05290	4.1
108.08130	8.1
108.08909	1.5
109.06510	16.3
115.70553	0.5
119.06038	4.4
120.03976	0.5
124.05196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03937	5.5
56.96554	7.7
62.38260	0.3
65.03932	1.0
67.05486	0.3
71.78695	0.5
74.06077	0.5
74.97585	0.7
75.01031	1.1
77.03916	0.8
79.05482	100.0
80.05009	2.7
80.05802	2.9
81.03387	0.5
83.00744	0.4
83.52354	3.7
84.01550	5.4
84.08120	0.7
91.02322	0.4
91.05466	6.4
92.52876	1.8
93.02067	3.8
93.05769	1.7
95.04960	9.5
95.52334	0.7
96.04482	0.5
97.70161	0.3
105.04500	1.6
105.06998	2.2
106.06503	0.6
107.04940	15.6
107.06873	0.6
107.08569	2.8
108.04486	3.5
108.05214	0.7
108.08105	5.3
109.06495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04459	1.1
76.02522	0.1
79.05475	2.1
81.03410	1.2
81.07037	5.7
83.04961	5.2
83.05463	0.2
83.08601	1.3
85.02885	29.2
85.06521	0.7
86.03236	0.3
86.05970	0.2
87.04435	1.0
91.03931	0.2
91.05457	2.9
93.07024	6.1
95.04952	1.6
95.08586	8.8
97.02870	12.6
97.06487	0.8
97.10127	1.2
98.20631	0.3
99.04430	1.4
99.08067	0.6
103.03918	0.5
105.07005	4.9
106.07324	0.2
107.04937	0.5
107.08569	9.8
109.02859	0.9
109.06501	0.7
109.10133	8.8
111.04423	4.0
111.08053	0.7
111.11662	0.4
113.02355	0.3
113.05994	0.5
113.09589	0.3
115.03906	7.1
117.06989	0.8
119.08553	7.4
121.06493	0.6
121.10119	8.3
123.04406	0.4
123.08066	0.6
123.11673	5.3
124.12019	0.2
125.05943	0.2
125.09598	2.1
127.03892	2.8
127.07527	0.3
127.11176	1.9
129.05453	8.0
129.07014	0.4
130.05765	0.2
131.08539	1.8
133.04941	1.4
133.06406	0.2
133.10101	8.0
134.10475	0.2
135.04390	0.3
135.08055	0.9
135.11662	8.0
137.05949	0.5
137.09576	0.6
137.13220	1.9
139.03876	0.7
139.11154	0.6
141.12698	0.9
142.07713	0.2
143.08594	1.0
143.10635	3.7
145.04933	2.1
145.10086	3.7
147.04439	0.4
147.06488	3.3
147.08023	0.4
147.11653	4.6
149.04433	0.2
149.09613	0.6
149.13226	3.0
151.03906	0.3
151.07498	0.5
151.11159	0.6
153.05435	0.2
153.09087	0.3
153.12703	0.4
155.08536	0.3
157.04922	0.6
157.10097	2.1
159.08026	0.4
159.11665	3.9
159.12915	0.3
161.09650	0.9
161.13226	3.8
162.13504	0.2
163.03857	0.3
163.06007	0.4
163.07446	0.4
163.11137	0.4
163.14789	2.6
163.16112	0.2
165.07559	0.3
165.12714	0.4
167.14299	0.3
169.04913	0.4
169.10129	0.7
171.06477	0.6
171.07867	0.2
171.11662	1.9
172.12289	0.2
173.09619	0.4
173.13231	3.4
175.11171	0.7
175.14807	2.2
177.05464	0.3
177.09119	0.2
177.12717	0.3
177.16345	1.3
179.10703	0.5
179.14264	0.6
181.05045	0.2
183.11682	0.8
185.09662	0.3
185.13206	1.5
187.05997	0.3
187.11237	0.3
187.14780	2.2
189.12752	0.5
189.16367	2.6
191.10658	0.4
191.14268	0.4
191.17897	1.8
193.05086	0.2
193.12131	0.2
195.06496	0.4
195.11629	0.3
197.13191	1.0
199.05981	0.4
199.14792	1.4
201.12683	0.4
201.16316	2.1
203.10632	0.2
203.14267	0.4
203.17905	2.6
205.12283	0.2
205.15779	0.3
207.06441	0.3
207.17363	0.3
209.13295	0.3
211.05997	0.4
211.14801	0.7
213.16327	1.1
215.14252	0.6
215.17850	1.0
217.07185	0.3
217.15904	0.4
217.19492	1.2
219.13783	0.5
219.17429	0.3
223.05992	0.5
223.14725	0.4
225.07510	2.8
225.16422	0.7
227.14311	0.3
227.17889	0.8
229.07001	0.2
229.15825	0.5
229.19495	0.4
231.13762	0.3
231.17377	0.4
233.15311	0.6
233.19043	0.2
235.16879	0.4
237.16426	0.2
239.17950	0.4
241.07109	0.6
241.15862	0.3
241.19469	0.6
243.08617	2.2
243.20967	0.3
245.15096	0.3
247.16919	1.2
247.20616	0.2
251.17917	0.2
253.19434	0.4
255.08559	0.3
255.21001	1.1
257.19064	0.4
259.08121	0.6
259.16891	0.4
259.20514	0.7
261.09671	1.0
261.18521	0.2
265.09171	0.2
267.17740	0.2
267.20932	0.3
269.22598	0.4
271.20499	0.3
273.09659	0.6
273.18420	0.2
273.22040	0.5
275.20105	0.2
275.23621	0.2
279.10739	3.4
279.21039	0.4
283.20578	0.4
285.22092	0.6
287.20145	0.3
295.10159	0.5
295.20544	0.4
297.22089	0.5
299.20331	0.2
299.23676	0.5
301.21564	0.7
303.23175	0.3
309.11792	0.6
311.23657	0.3
313.21722	0.2
313.25320	0.3
315.23083	1.7
319.22861	0.2
325.25333	0.3
351.26862	0.2
367.30029	0.4
369.27914	0.4
385.31079	0.2
395.29373	0.2
395.33151	1.6
399.28439	0.2
401.32104	0.2
404.05063	0.2
409.34583	1.0
413.34201	0.3
419.33139	1.4
425.34119	0.2
437.34116	5.0
438.34534	0.4
455.35123	19.6
456.35568	1.2
473.36166	100.0
474.36526	5.6
489.35345	0.5
491.37219	19.7
492.37515	1.3
587.39368	0.3
605.40344	5.8
606.40747	0.5
621.39929	0.4
623.41394	3.6
624.41608	0.3
637.42932	0.6
751.46228	2.8
752.45972	0.2
767.45264	0.9
922.83142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04459	0.3
79.05478	1.3
81.03380	0.3
81.07038	2.3
83.04963	8.4
83.08587	0.5
85.02888	7.8
85.06514	0.5
86.03209	0.1
87.04454	0.3
89.03903	0.2
91.05460	9.5
92.05762	0.2
93.07021	2.1
95.04942	1.6
95.08585	2.6
97.02877	1.3
97.06503	0.4
97.10156	0.5
97.25517	0.1
99.04412	0.4
99.08086	1.0
103.05437	0.2
105.07010	2.5
107.04938	1.4
107.08569	4.9
109.02899	0.2
109.06468	0.5
109.10133	2.8
111.04423	6.7
111.08047	0.4
113.05981	0.3
115.03904	0.8
115.05407	0.3
117.06962	0.3
119.04918	19.3
119.08538	2.5
119.89789	0.1
120.05231	0.3
121.06484	0.4
121.10119	3.0
123.04434	0.3
123.08028	0.3
123.11667	1.0
125.05965	0.4
125.09602	3.3
127.03902	0.3
127.07533	0.4
127.11125	0.5
128.06223	0.1
129.05460	2.7
129.06966	0.2
131.04901	0.2
131.08560	1.2
132.08940	0.1
133.04955	0.2
133.06438	0.3
133.10092	2.5
135.04404	0.2
135.08040	1.5
135.11687	1.2
137.05940	0.1
137.09569	0.7
137.13239	0.2
139.03909	0.3
139.11182	0.3
141.06952	0.4
142.07747	0.2
143.08559	0.4
143.10643	5.6
145.06480	0.2
145.10101	2.9
147.04378	100.0
147.11646	2.5
148.04727	1.6
149.09587	2.5
149.13222	2.4
151.03894	0.2
151.11133	0.5
153.05391	1.0
153.06586	0.1
155.08475	0.2
157.05019	0.3
157.06511	0.3
157.10123	1.0
159.07979	0.3
159.11665	2.1
161.05969	0.2
161.09613	0.5
161.13214	2.6
163.03856	0.3
163.11169	0.3
163.14798	0.5
165.05453	1.9
165.12790	0.2
167.08498	0.2
167.14316	0.2
169.04913	1.1
169.06438	0.4
169.10085	0.2
171.04266	0.2
171.06511	0.2
171.07913	0.2
171.11693	0.8
173.05951	0.6
173.13205	1.9
174.72333	0.1
175.03909	0.2
175.11099	0.3
175.14816	1.0
177.12744	0.3
177.16374	1.1
179.06985	0.2
179.14229	0.2
183.06497	0.1
183.08011	0.3
183.11676	0.3
185.05965	0.3
185.09564	0.5
185.13240	0.5
187.07507	0.6
187.14772	1.2
189.05437	0.2
189.12697	0.2
189.16347	2.6
191.03320	0.6
191.14159	0.4
191.17819	0.2
196.12381	0.1
197.05945	1.1
197.13254	0.3
199.03841	0.2
199.14783	1.1
201.16383	1.1
201.39648	0.2
203.14275	0.2
203.17892	0.4
205.15839	0.9
207.06525	0.3
207.17397	0.8
209.15443	0.2
211.07477	0.3
211.14781	0.4
213.05612	0.1
213.09158	1.0
213.16379	0.7
215.06941	0.9
215.14270	0.3
215.17902	0.8
217.10645	0.2
217.15840	1.4
219.17374	0.3
223.14809	0.3
225.07576	0.4
225.16255	0.3
227.17871	0.4
229.08542	0.4
229.15903	0.2
229.19557	0.2
231.10139	0.8
231.17426	1.7
233.08014	0.2
233.15353	0.5
233.18993	0.4
235.16922	0.5
239.06938	0.6
239.09126	1.1
239.17874	0.2
241.19586	0.3
243.08539	0.3
245.18983	0.2
249.18417	0.4
253.19531	0.2
255.17197	0.2
255.21060	0.3
257.08029	1.7
257.10254	0.5
259.20490	0.2
267.21063	0.1
271.20587	0.2
273.22211	0.2
275.08994	2.0
279.08267	0.3
279.10944	0.3
281.22470	0.2
293.10126	31.0
294.10431	0.9
299.23691	0.2
311.23718	0.2
313.25305	0.2
314.92752	0.1
325.25433	0.1
331.26086	0.2
335.78091	0.1
339.26636	0.2
349.28955	0.3
357.27881	0.2
367.29941	0.3
379.30072	1.0
389.31781	0.1
397.30881	1.3
403.13876	0.6
407.32898	0.7
419.33008	1.3
420.33844	0.1
421.14813	0.5
425.14349	1.2
425.34109	1.2
437.34116	4.3
438.34079	0.2
439.15887	2.0
439.35675	0.2
455.35153	10.1
456.35419	0.5
457.36258	0.3
473.36176	22.6
474.36566	1.2
491.37198	1.3
559.76825	0.1
565.38879	0.2
571.20270	0.2
583.39581	0.3
587.39337	0.7
601.40735	1.0
605.40387	11.2
606.40625	0.6
619.41919	9.5
620.42889	0.6
623.41107	0.3
637.41864	0.2
729.45178	0.2
733.44489	0.6
751.46130	5.8
752.46045	0.5
765.46008	0.7
938.13940	0.2
1043.54907	0.2
1058.05286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04461	0.2
79.05469	1.1
81.03406	0.3
81.06585	0.2
81.07040	2.4
83.04964	7.2
83.08594	0.5
84.05271	0.1
84.32238	0.1
85.02888	5.4
85.06515	0.5
85.26128	0.1
87.04437	0.3
89.03893	0.1
91.05459	10.6
92.05785	0.1
93.07030	2.2
95.04953	1.2
95.08594	3.2
97.02878	1.3
97.06495	0.4
97.10150	0.4
99.04429	0.4
99.08067	0.3
101.06013	0.1
105.07015	2.0
107.04935	1.3
107.08569	4.5
108.08853	0.1
109.02837	0.1
109.06501	0.4
109.10133	3.1
111.04421	5.9
111.08060	0.3
111.11710	0.1
113.05944	0.2
115.03896	0.7
115.05432	0.2
117.05445	0.2
117.06969	0.3
119.04919	21.2
119.08555	3.1
120.05235	0.4
120.08930	0.1
121.02850	0.1
121.06477	0.3
121.10120	3.2
122.10430	0.1
123.04412	0.4
123.08020	0.3
123.11678	2.4
124.11965	0.1
125.05975	0.2
125.09599	1.8
127.03893	0.2
127.11171	0.6
128.06155	0.1
129.05463	2.1
129.06885	0.2
131.04881	0.2
131.08549	0.8
133.04973	0.2
133.06491	0.2
133.10109	2.9
134.10477	0.1
135.04411	0.3
135.08095	0.4
135.11671	2.8
137.05898	0.1
137.09572	0.2
137.13245	0.7
139.03821	0.2
139.07510	0.1
139.11188	0.2
141.07004	0.4
141.12689	0.3
143.08592	0.6
143.10651	3.9
144.11032	0.1
145.02795	0.2
145.06444	0.3
145.10104	1.6
146.10530	0.1
147.04379	100.0
147.11633	1.8
148.04724	2.0
149.05942	0.2
149.09567	0.4
149.13225	1.4
151.03917	0.3
151.14813	0.2
152.06122	0.1
153.05432	0.5
153.06508	0.1
153.12711	0.2
155.08516	0.2
157.04947	0.2
157.06509	0.2
157.10123	0.8
159.04373	0.2
159.08005	0.3
159.11681	1.3
161.05914	0.1
161.09625	0.5
161.13228	1.5
162.13564	0.1
163.03882	1.5
163.07475	0.2
163.14789	0.8
165.05450	2.7
165.06776	0.2
165.09087	0.2
167.08522	0.2
167.10614	0.1
169.04935	1.0
169.06435	0.4
169.10043	0.2
171.04581	0.1
171.06511	0.2
171.07999	0.2
171.11665	0.8
173.05986	0.7
173.09573	0.2
173.13214	1.0
175.03842	0.2
175.11198	0.2
175.14793	0.8
177.05374	0.2
177.16328	0.4
179.10616	0.2
179.14265	0.2
181.04903	0.1
183.08054	0.2
183.11665	0.4
185.05960	0.4
185.09576	0.3
185.13206	0.9
187.07478	0.6
187.11169	0.1
187.14815	1.0
187.27359	0.1
187.52106	0.1
189.05418	0.1
189.09026	0.1
189.12746	0.2
189.16376	1.1
191.03403	0.5
191.10588	0.2
191.17915	1.0
195.06499	0.1
195.08047	0.1
195.11626	0.2
197.05952	0.9
197.13188	0.4
199.03865	0.3
199.14796	0.7
201.09109	0.1
201.12805	0.1
201.16379	1.2
203.14287	0.2
203.17879	0.9
205.19574	0.1
207.13655	0.1
209.13290	0.1
211.07596	0.4
211.14803	0.2
213.07353	0.1
213.09163	0.7
213.16350	0.5
215.06990	0.8
215.14207	0.2
215.17920	0.4
217.15872	0.1
217.19533	0.4
219.13872	0.1
219.17339	0.1
223.14796	0.2
225.07549	0.3
225.16310	0.2
227.17960	0.4
229.08533	0.3
229.15869	0.1
229.19521	0.2
231.10341	0.4
231.13734	0.3
231.17378	0.3
233.15378	0.4
233.18793	0.1
239.06963	0.6
239.09128	0.9
239.17844	0.2
241.19522	0.2
243.08633	0.2
243.17421	0.1
245.15289	0.2
246.11389	0.1
247.16968	0.4
249.18570	0.1
251.17690	0.1
253.19293	0.2
255.20990	0.5
257.08008	1.3
257.10281	0.2
257.19012	0.2
259.16675	0.1
259.20560	0.2
261.18503	0.1
267.21140	0.1
269.22452	0.2
271.20480	0.2
273.07513	0.1
273.22171	0.2
275.08997	1.2
279.08298	0.4
279.21103	0.2
283.20468	0.2
285.22165	0.2
289.21603	0.1
293.10138	22.7
294.10538	0.8
297.21924	0.1
299.23669	0.1
301.21597	0.2
309.09586	0.6
315.23059	0.6
351.26608	0.1
369.27863	0.2
391.33478	0.2
395.33121	0.5
403.13699	0.6
409.34732	0.4
419.32956	0.7
421.14716	0.6
421.34625	0.2
422.14719	0.1
425.14517	0.7
425.33340	0.1
427.36093	0.1
437.34079	2.9
438.34247	0.2
439.15906	1.2
439.35724	0.5
440.36325	0.2
455.35135	11.1
456.35519	0.9
457.36713	0.6
458.37207	0.2
473.36182	20.5
474.36572	1.3
491.37238	2.3
492.37491	0.1
571.20111	0.6
587.39185	0.6
589.40485	0.4
590.41254	0.1
592.32739	0.1
605.40363	10.1
606.40723	0.9
619.41302	0.2
620.42151	0.2
623.41663	0.4
637.42804	0.1
708.15106	0.1
733.45105	0.3
751.46100	3.3
752.45984	0.3
1024.92419	0.1
1096.14404	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	1061.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
74.22156	0.1
75.04451	0.2
79.05470	1.0
81.03394	0.2
81.07040	1.7
83.04960	9.8
83.08575	0.5
84.05286	0.1
85.02885	4.6
85.06521	0.4
85.87687	0.1
87.04450	0.3
91.05454	8.7
92.05763	0.2
93.07026	2.0
95.04943	2.2
95.08587	2.7
97.02854	1.3
97.06481	0.2
97.10141	0.3
99.04417	0.4
99.08086	0.2
103.05445	0.3
103.23982	0.1
105.07013	1.6
107.04931	2.5
107.08569	3.3
109.02837	0.1
109.06499	0.3
109.10135	2.8
111.04417	5.7
111.08070	0.3
111.11718	0.1
113.05984	0.1
115.03894	0.7
115.05395	0.2
117.07007	0.3
119.04915	17.9
119.08550	2.3
121.02835	0.3
121.06490	0.3
121.10116	2.8
123.04413	0.6
123.08058	0.2
123.11681	1.9
125.05965	0.2
125.09602	1.5
127.03890	0.3
127.11151	0.7
128.06154	0.1
129.05453	2.1
129.06964	0.2
131.04907	0.3
131.08546	0.9
133.04958	0.3
133.06439	0.5
133.10097	2.2
135.04443	0.1
135.08061	0.2
135.11662	2.8
137.05894	0.2
137.09564	0.2
137.13196	0.8
139.11139	0.2
141.06984	0.3
141.12698	0.2
142.07703	0.2
143.08623	0.5
143.10645	3.3
144.05678	0.1
145.06448	0.4
145.10097	1.3
147.04373	100.0
147.11655	1.6
148.04733	1.5
149.05904	0.2
149.09586	0.3
149.13208	0.9
151.03896	0.5
151.07549	0.2
152.06142	0.2
153.05463	0.2
153.12703	0.2
155.08481	0.2
157.05025	0.1
157.06453	0.2
157.10066	0.6
159.08008	0.4
159.11667	1.3
160.11998	0.1
161.09576	0.3
161.13226	1.1
163.07503	0.1
163.11136	0.2
163.14737	0.6
165.05455	0.9
165.06870	0.2
167.08546	0.2
169.04938	2.1
169.06322	0.2
169.10143	0.2
170.07246	0.3
171.08067	0.3
171.11639	0.8
173.05954	1.5
173.09566	0.1
173.13190	0.9
175.03917	0.1
175.11174	0.3
175.14781	0.7
177.09166	0.2
177.12761	0.1
177.16364	0.5
179.10629	0.2
181.10205	0.1
183.08067	0.2
183.11641	0.3
185.05962	0.2
185.09608	0.7
185.13159	0.5
187.07483	1.2
187.11157	0.2
187.14809	0.8
189.09073	0.2
189.12753	0.2
189.16313	0.7
191.03365	0.2
191.17920	0.8
195.08047	0.3
195.11696	0.2
197.05945	0.2
197.13268	0.3
199.14821	0.6
201.12936	0.1
201.16290	0.9
203.14285	0.1
203.17903	0.9
209.13345	0.2
211.07629	0.1
211.14827	0.3
213.09070	2.3
213.16370	0.4
215.06908	0.6
215.14203	0.2
215.17906	0.3
217.04930	0.2
217.15939	0.3
217.19492	0.3
219.13864	0.1
223.14639	0.1
225.07671	0.2
225.16432	0.2
227.18018	0.3
229.08519	0.5
229.15916	0.2
229.19458	0.1
231.10172	1.7
231.13835	0.1
231.17409	0.2
233.08060	0.2
233.15350	0.2
233.18814	0.1
239.09059	0.8
241.15935	0.1
243.21039	0.1
245.19072	0.1
247.16972	0.4
251.18051	0.1
255.20959	0.4
257.07990	2.1
257.10211	0.2
257.18863	0.1
257.22552	0.1
259.20572	0.2
261.18506	0.1
271.20508	0.1
273.18283	0.2
273.21924	0.1
275.09076	2.5
275.20126	0.1
279.08316	0.2
281.22763	0.1
285.22025	0.1
293.10126	32.0
294.10504	0.6
297.22153	0.2
301.21722	0.3
309.25879	0.1
313.21347	0.2
315.23187	0.6
323.27490	0.2
351.26981	0.2
353.28394	0.1
369.27615	0.1
390.09555	0.1
395.33035	0.5
403.13699	0.6
409.34576	0.4
419.33096	0.8
421.14764	0.6
425.14450	0.6
437.34109	2.9
439.15924	1.6
455.35135	10.7
456.35480	0.6
473.36160	17.7
474.36609	0.7
475.36612	0.1
491.37189	2.9
561.54358	0.1
571.19885	0.2
587.39362	0.8
605.40356	10.4
606.40582	0.5
623.41498	0.7
637.42694	0.2
733.44806	0.3
751.46234	2.8
752.46893	0.1
992.83038	0.2
1027.52087	0.2
1061.54785	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	1061.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04422	0.2
79.05480	0.7
81.03402	0.2
81.06585	0.1
81.07041	1.4
83.04962	10.6
83.08582	0.3
84.05335	0.1
85.02885	5.3
85.06531	0.2
87.00805	0.2
87.04448	0.2
91.05457	7.0
93.07024	1.3
95.04948	1.9
95.08591	1.6
97.02863	1.0
97.06496	0.4
97.10126	0.3
98.12141	0.1
99.04417	0.4
99.08062	0.5
103.05377	0.1
105.07005	1.6
107.04940	2.9
107.08566	3.1
107.09309	0.2
109.02866	0.2
109.06499	0.3
109.10132	1.6
111.04415	6.3
111.08036	0.2
111.13044	0.1
112.04751	0.1
113.06010	0.1
115.03922	0.6
115.05438	0.2
117.06986	0.4
119.04915	17.1
119.08534	1.5
120.05228	0.2
121.02835	0.2
121.06489	0.2
121.10121	2.0
123.04441	0.6
123.08038	0.2
123.11680	0.7
125.05969	0.2
125.08783	0.2
125.09604	1.9
127.03878	0.3
127.07514	0.3
127.11170	0.3
128.06189	0.1
129.05452	2.0
129.06947	0.2
131.04871	0.3
131.08560	0.8
133.06435	0.4
133.10107	1.5
135.04436	0.2
135.08005	1.0
135.11681	0.7
137.05928	0.2
137.09549	0.5
139.03915	0.2
139.11227	0.2
141.06947	0.2
142.07755	0.2
143.08565	0.3
143.10646	2.4
145.04889	0.1
145.06448	0.4
145.10081	1.6
147.04375	100.0
147.11641	1.2
148.04706	1.4
149.05858	0.1
149.09579	1.4
149.13214	1.4
151.03896	0.5
151.11140	0.2
152.06120	0.2
153.05406	0.4
155.08464	0.1
156.09265	0.1
157.05011	0.2
157.06461	0.3
157.10107	0.6
159.08029	0.3
159.11661	1.2
161.06030	0.2
161.09477	0.2
161.13226	1.5
163.03915	0.3
163.11133	0.1
163.14722	0.3
165.05429	1.1
165.06850	0.2
167.07103	0.1
167.08549	0.3
169.04945	2.4
169.06398	0.3
169.10023	0.1
170.07274	0.2
171.08000	0.2
171.11656	0.4
173.05956	1.5
173.13208	1.0
175.03806	0.1
175.11061	0.1
175.14703	0.6
177.16315	0.5
183.11610	0.2
185.09602	0.8
185.13210	0.3
187.05974	0.1
187.07492	1.0
187.14783	0.8
189.09006	0.2
189.16296	1.2
191.14252	0.1
191.17882	0.2
193.15823	0.1
195.08055	0.2
195.11649	0.2
197.05928	0.3
197.13158	0.1
198.06731	0.2
199.14781	0.6
201.16354	0.8
203.14272	0.1
203.17914	0.3
205.15819	0.4
207.17421	0.6
207.74277	0.1
211.14766	0.3
213.09077	2.4
213.16304	0.5
215.07031	0.5
215.14250	0.2
215.17921	0.6
217.10526	0.1
217.15825	1.0
217.19476	0.1
219.17393	0.2
225.07555	0.3
225.16321	0.2
227.17789	0.2
229.08551	0.5
229.15665	0.2
229.19443	0.1
229.45824	0.1
231.10133	1.9
231.17403	0.8
233.07979	0.2
233.15274	0.3
235.16930	0.2
239.06778	0.2
239.09019	1.0
241.19498	0.2
243.08453	0.1
249.18471	0.2
253.19592	0.2
257.08005	2.0
257.10269	0.2
267.21292	0.1
271.20459	0.1
274.27170	0.1
275.09048	3.2
285.22015	0.1
293.10123	34.7
294.10501	0.6
297.21796	0.1
318.36157	0.1
351.26596	0.2
367.29941	0.2
379.29895	0.5
389.12390	0.2
395.32745	0.1
397.30859	0.7
403.13681	0.5
407.32843	0.4
419.32880	0.8
421.14529	0.2
425.14331	1.1
425.33942	0.7
437.34088	2.6
438.34213	0.1
439.15952	1.8
440.15619	0.1
455.35107	5.0
456.35379	0.4
473.36182	12.5
474.36548	0.6
491.37146	0.8
535.18762	0.1
571.20105	0.2
583.39337	0.1
587.38849	0.4
601.40686	0.5
605.40369	6.5
606.40332	0.4
619.41895	5.1
620.41992	0.3
623.40869	0.2
642.86823	0.1
723.17889	0.1
733.44562	0.2
751.46100	3.5
752.46155	0.2
765.45569	0.3
897.48932	0.1
911.50226	0.1
1043.54626	0.2
1079.71594	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	1061.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04482	2.0
77.03963	0.7
79.05474	13.4
80.05836	0.8
81.03400	3.6
81.07039	36.5
83.04965	23.4
83.08610	4.6
84.08109	1.0
85.02888	74.2
85.06532	1.3
86.03211	1.0
86.06062	0.9
87.04438	2.7
88.26215	0.9
91.05460	25.7
92.05781	1.2
93.06416	0.9
93.07027	27.8
95.04954	8.7
95.08587	35.4
97.02869	28.2
97.06509	5.3
97.10149	6.4
98.21502	1.1
99.04430	3.4
99.08073	7.1
103.03951	2.1
103.05451	1.3
105.07008	34.1
107.04945	3.6
107.08570	46.6
109.02850	3.1
109.06503	4.9
109.10134	54.7
110.10454	0.9
111.04426	16.1
111.08069	8.7
111.11755	1.1
113.05978	1.1
115.03905	16.7
115.05468	1.6
117.06992	7.2
119.04922	18.8
119.08559	34.9
121.06488	4.5
121.10119	31.8
122.16944	0.9
123.04420	2.1
123.08032	4.5
123.11682	23.0
125.05940	1.5
125.09606	15.5
127.03905	6.4
127.11188	2.6
128.06201	1.1
129.05453	18.4
129.06902	3.7
130.07785	1.0
130.08644	1.3
131.08536	17.8
133.04939	4.7
133.06467	1.2
133.10104	32.8
135.08026	4.7
135.11667	16.1
136.12036	1.0
137.05978	1.7
137.09593	3.2
137.13242	2.9
139.03885	1.9
139.07504	1.1
139.11150	2.7
141.06952	1.3
142.07748	1.6
143.08533	8.2
143.10634	11.3
144.09335	1.4
145.04930	4.3
145.06430	1.6
145.10103	27.4
147.04381	95.8
147.06493	6.3
147.08012	3.1
147.11664	24.1
148.04758	2.5
149.05943	1.7
149.09578	6.6
149.13229	14.5
151.07507	1.4
151.11147	2.0
153.05467	1.4
153.12723	0.8
155.08528	3.9
157.04958	2.2
157.10089	14.7
158.10899	1.3
159.08023	2.5
159.11664	27.3
160.07968	0.8
160.17406	0.7
161.09621	3.8
161.13226	23.3
163.03923	0.9
163.05983	1.3
163.07542	2.7
163.11151	3.2
163.14761	6.4
165.05457	2.5
165.09088	2.8
165.12656	1.7
167.08553	1.8
168.90543	0.8
169.04980	2.5
169.10094	6.2
171.06546	1.0
171.11652	12.7
173.06041	1.1
173.09602	3.3
173.13237	16.7
175.11194	2.8
175.14787	11.7
177.05400	1.6
177.09079	2.2
177.12720	3.4
177.16351	4.9
179.10709	2.3
179.14204	0.9
181.08496	0.9
181.10101	2.3
183.08022	0.8
183.11656	6.7
185.09700	1.7
185.13211	11.1
187.07565	0.9
187.11160	2.7
187.14789	14.4
189.09010	1.6
189.12708	2.8
189.16359	10.4
191.10620	2.6
191.14319	1.8
191.17934	4.2
193.10129	1.4
193.16028	1.2
195.11685	3.2
195.13676	1.1
197.05960	1.3
197.13213	6.7
199.11192	2.1
199.14778	10.2
201.12738	2.1
201.16350	14.7
203.10646	1.9
203.14322	3.1
203.17917	3.9
205.12230	1.6
205.15858	5.2
207.11642	0.9
207.13741	0.9
207.17439	2.2
209.13268	4.1
211.06021	1.6
211.14784	6.6
213.09036	1.4
213.12779	2.0
213.16312	7.4
215.14310	3.2
215.17889	4.0
217.12201	1.5
217.15915	4.3
217.19484	0.9
219.13736	1.8
219.17404	2.0
221.13277	1.0
221.15311	1.0
223.14807	3.2
225.07605	4.9
225.16353	4.0
227.14299	2.1
227.17863	3.9
229.12309	1.3
229.15846	2.9
229.19530	1.0
231.10117	0.8
231.13826	2.2
231.17386	1.9
233.15477	1.8
233.18842	1.2
237.16347	2.8
239.17659	3.8
241.15898	1.7
241.19472	8.2
243.08534	3.6
243.13849	0.9
243.17514	0.9
243.21013	2.1
245.15262	3.5
247.16924	4.3
249.16347	1.4
251.17915	2.7
253.19495	5.2
255.21165	2.1
257.08023	1.6
257.15500	1.0
257.18951	1.5
259.16937	1.3
259.20547	5.3
263.17990	1.0
265.19489	1.4
267.21136	1.7
269.19086	2.9
269.22150	0.9
271.17053	0.8
271.20599	2.6
273.18509	2.5
275.09164	1.2
277.19431	1.1
279.10739	8.3
279.21072	2.7
281.19345	1.2
281.22562	5.0
283.20520	2.3
283.24167	2.3
285.18646	1.3
285.22293	1.0
291.21051	1.3
293.10120	25.4
293.19412	1.0
293.22449	3.8
294.10602	0.8
295.10413	1.3
295.20673	1.6
295.24249	1.4
297.18802	1.1
297.22226	2.4
299.20306	1.0
299.23599	3.8
301.21652	2.1
309.11743	2.1
309.22122	3.0
309.25497	1.1
311.23630	9.1
313.21637	2.8
313.25070	1.4
315.19574	1.3
315.23230	1.3
325.25272	1.5
327.23148	4.4
329.24652	3.1
333.25699	1.2
335.27188	1.2
337.25198	1.2
339.26883	1.4
341.24731	1.2
347.26038	1.0
349.25113	1.4
353.24677	1.7
355.26379	1.8
365.28488	1.1
367.26266	5.5
371.25854	1.5
377.28323	2.6
379.26236	1.1
385.27393	3.4
393.31674	1.3
395.29233	5.4
403.28528	2.5
405.31555	2.9
407.27921	2.6
407.33096	11.3
415.28650	2.1
417.31668	4.9
423.32471	8.2
425.34064	22.9
435.32544	24.3
436.33084	1.1
437.33829	3.8
439.15820	1.9
441.33621	8.1
443.28555	0.8
453.33557	71.3
454.33859	2.5
455.35117	11.2
456.35776	1.0
469.33002	1.5
471.34622	76.1
472.34879	2.8
473.36234	17.6
489.35690	100.0
490.35880	3.7
491.37204	0.9
549.35724	2.0
563.37494	1.2
567.37073	1.9
581.38409	1.9
585.37512	4.9
587.39929	1.1
599.39178	2.8
603.38812	39.1
604.38892	2.5
605.40448	10.9
617.40417	6.4
619.41815	2.6
621.39874	65.9
622.39978	2.8
635.41394	12.4
651.41187	1.2
735.44061	1.3
749.44598	12.7
751.46289	4.2
765.44281	3.7
768.45190	0.9
897.48120	1.7
911.49225	2.4
1043.53320	2.5
1061.56177	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	1059.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09766	0.3
75.04457	3.1
79.05473	6.2
81.03406	3.6
81.07039	15.1
83.01326	0.4
83.04964	23.5
83.08614	2.2
85.02886	100.0
85.06512	0.5
86.03199	0.4
86.06056	0.5
87.04446	3.5
91.03934	0.6
91.05458	6.5
93.06431	0.3
93.07024	11.0
95.04953	3.8
95.08588	18.0
97.02872	22.6
97.06525	1.4
97.10150	1.3
99.04436	4.6
101.06004	0.7
103.03939	1.4
103.05466	0.5
105.07006	10.0
105.09057	0.3
107.04940	0.6
107.08572	16.2
107.84453	0.3
109.02843	2.4
109.06511	1.9
109.09507	0.3
109.10133	22.9
111.04420	23.0
111.08064	1.0
113.02355	0.7
113.05980	1.1
115.03905	11.1
117.05500	0.9
117.06978	1.2
119.08554	13.6
121.02822	0.5
121.06485	1.4
121.09229	0.7
121.10119	15.9
123.04388	0.9
123.08067	1.9
123.11680	29.0
125.06000	1.1
125.09618	0.6
127.03887	7.3
128.06216	0.4
129.05455	33.8
131.08559	4.3
133.04942	2.7
133.06508	0.8
133.10106	10.9
135.04385	0.6
135.08029	1.7
135.11665	15.4
137.05974	1.2
137.09612	1.0
137.13210	4.1
139.03874	2.8
139.07530	1.0
139.11165	0.7
142.07668	0.4
143.08533	2.1
145.04938	5.7
145.06136	0.5
145.10098	7.8
147.04498	0.7
147.06491	14.4
147.07878	0.5
147.08110	0.7
147.11649	8.0
149.06001	0.5
149.09601	1.4
149.13225	6.2
151.03886	0.8
151.07509	1.0
151.11188	0.8
151.14894	0.8
153.05443	1.4
153.09035	0.7
153.12700	0.8
155.08585	0.4
156.09335	0.4
157.04941	1.0
157.10081	3.2
158.10936	0.6
159.08043	0.9
159.11652	8.0
161.05942	0.4
161.09618	1.2
161.13231	6.4
163.03847	0.6
163.06012	1.4
163.07518	1.9
163.11183	1.4
163.14778	4.2
165.05452	0.7
165.07596	1.0
165.09123	1.3
165.12714	0.6
167.10637	0.6
169.04962	0.9
169.10103	1.8
171.06564	2.0
171.11668	3.0
173.09598	1.7
173.13255	5.6
175.11180	1.0
175.14787	4.3
175.16173	0.4
177.05469	0.5
177.09100	1.8
177.12740	0.7
177.16325	2.3
179.07037	0.7
179.10649	1.2
179.14275	1.0
181.04956	0.7
181.10126	0.6
181.12152	0.5
183.11691	1.3
185.13231	3.6
187.11151	0.9
187.14774	7.3
189.09135	0.7
189.12743	0.9
189.16359	5.9
191.10526	1.8
191.14301	0.7
191.17894	6.2
193.12222	0.4
193.19545	0.7
195.06490	0.6
197.13248	1.5
199.05980	0.7
199.11102	0.4
199.14774	2.1
201.09215	0.5
201.12735	1.1
201.16354	4.9
203.14326	0.9
203.17918	5.7
205.12250	1.0
205.19556	0.8
207.06512	0.8
207.13809	0.8
207.17374	0.8
209.13275	0.8
211.14809	0.9
213.12785	0.9
213.16362	1.4
215.14258	0.9
215.17926	1.9
217.12241	1.2
217.19487	1.8
219.13812	1.7
219.21071	0.7
221.15309	1.0
223.06070	0.6
223.14827	0.8
225.07542	7.0
225.16408	0.9
227.14333	0.5
227.17952	1.2
229.12259	0.6
229.16064	0.7
229.19516	1.0
231.08656	0.5
231.13692	1.9
233.15253	1.8
235.16846	0.4
237.07556	1.1
237.12440	0.4
237.16298	0.5
239.09135	0.7
239.17798	0.6
241.07083	0.5
241.19522	1.1
243.08601	4.9
243.17488	0.5
243.21028	0.6
245.15378	2.4
247.16884	6.8
253.19498	0.8
255.08638	1.8
255.17393	0.4
255.21103	1.6
257.10260	0.5
257.15247	0.4
259.08112	1.0
259.16922	0.9
261.09641	2.3
261.18555	0.6
265.19461	0.4
267.21152	0.9
273.09625	1.6
273.18500	0.7
275.11234	0.5
275.20065	0.6
279.10721	6.0
281.22479	0.5
285.18472	0.7
287.19922	0.7
293.12289	1.3
295.24323	0.5
297.22195	0.7
299.20169	0.8
301.21631	1.3
303.23297	0.3
307.24231	0.4
309.11703	1.7
309.25433	0.5
313.21637	1.5
313.24896	0.4
315.23138	4.8
325.21347	0.4
327.23322	0.6
331.22470	0.4
333.24203	0.5
335.27548	0.4
337.25455	0.4
341.24762	0.5
351.26636	0.6
355.26263	1.2
367.26160	0.7
369.27820	5.7
373.27014	1.9
377.31885	1.9
381.27850	1.2
387.28873	2.0
391.28409	4.2
391.33261	0.8
395.33301	2.0
399.28967	0.6
401.32019	0.5
409.34644	3.2
419.33075	1.6
435.32574	0.8
437.34094	21.9
438.34305	1.0
441.29578	0.7
449.34158	0.7
453.33618	2.4
455.35144	47.6
456.35522	1.9
465.33896	0.7
467.35391	2.1
479.35336	0.9
481.37057	0.6
483.30649	0.4
489.35532	0.5
491.34964	0.7
497.36011	1.0
507.34756	1.5
509.36227	1.0
521.36322	0.5
523.38269	0.5
529.36401	1.8
533.36591	1.6
547.37750	10.0
548.38300	0.5
551.37262	1.2
565.38824	8.2
566.39355	0.4
583.40002	0.9
587.39410	1.9
679.42139	0.6
697.42438	0.5
749.44604	0.6
895.49860	2.2
1059.66846	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.06221	0.5
51.02386	0.7
53.03938	7.3
54.59409	0.5
55.01841	0.5
60.04519	3.7
61.43205	0.4
65.03918	1.2
70.06571	0.5
71.79440	0.6
77.03905	1.8
79.05480	32.4
80.05807	0.8
81.03414	0.5
88.03986	0.6
88.04802	0.5
95.04953	15.6
95.05567	0.9
96.04481	2.4
103.05453	19.7
104.05738	0.7
105.03377	1.8
105.04535	4.2
105.07012	100.0
105.11063	1.2
106.06535	7.2
106.07346	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02361	1.0
53.03938	6.6
53.23825	0.4
55.01841	0.5
57.16557	0.4
60.04501	1.1
61.08466	0.7
65.03919	0.8
66.65807	0.5
69.44011	3.7
69.44427	1.1
72.88566	0.4
77.03910	1.2
79.05481	31.4
80.05796	0.6
81.03398	0.9
86.03701	0.4
95.04950	13.9
98.39653	0.4
103.05451	21.3
104.05806	0.5
105.03387	0.8
105.04547	3.1
105.07011	100.0
105.11073	1.8
106.06528	2.0
106.07335	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.2
51.02373	5.5
53.03938	44.7
55.01865	2.6
71.25043	1.1
77.03915	9.3
77.08979	0.4
78.02554	0.4
79.05466	2.1
81.03401	4.6
93.10133	0.4
95.04951	100.0
96.05286	2.3
103.05455	1.6
105.03375	75.6
105.04448	17.3
105.07001	6.0
105.11066	0.7
106.03716	1.8
106.04847	0.5
118.06535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02359	0.9
53.03940	6.1
55.03552	0.6
60.04503	2.4
64.86378	0.6
65.03925	1.2
69.93488	4.6
77.03929	1.1
79.05484	33.5
80.05837	0.7
95.04957	14.1
98.20672	1.0
103.05453	19.6
104.05781	0.8
105.04500	2.3
105.07018	100.0
105.11043	0.9
106.06547	4.0
106.07352	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	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.0
51.02374	5.9
53.03939	45.9
54.04266	0.6
55.01849	2.2
55.25224	0.6
60.04521	1.4
62.79290	0.6
71.45411	1.7
77.03912	7.1
79.05476	4.0
81.03406	4.8
87.00798	0.9
95.04952	100.0
96.04478	1.0
96.05283	3.0
103.05444	2.4
105.03379	74.9
105.04455	20.3
105.07009	13.6
105.11070	2.8
106.03723	2.4
106.06531	1.5
118.06563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5712
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02904	1.0
75.04443	0.1
79.05463	1.0
81.03381	0.3
81.07035	2.1
83.04961	7.3
83.08566	0.6
85.02885	4.2
85.06502	0.5
86.27637	0.1
87.04461	0.3
91.05456	8.9
92.05780	0.2
93.07030	2.1
95.04954	1.2
95.08585	3.5
97.02847	0.8
97.06495	0.3
97.10142	0.6
97.64043	0.1
99.04427	0.3
99.08069	1.0
101.05995	0.1
105.07008	1.7
107.04934	1.0
107.08566	5.2
109.06519	0.6
109.10130	2.4
111.04416	6.2
111.08031	0.3
112.04702	0.2
113.05977	0.1
115.03923	0.5
115.05423	0.2
117.06969	0.3
119.04914	19.8
119.08542	2.2
120.05236	0.4
121.02866	0.1
121.06470	0.3
121.10112	3.6
123.04366	0.4
123.08086	0.1
123.11686	1.3
125.05916	0.4
125.09603	2.4
127.03902	0.3
127.07504	0.4
127.11134	0.3
129.05460	2.0
129.06902	0.2
131.04871	0.2
131.08545	0.7
133.04948	0.2
133.06404	0.2
133.10104	2.2
135.08037	1.1
135.11668	2.8
137.05898	0.2
137.09560	0.8
137.13156	0.5
139.03850	0.3
139.11136	0.3
141.06918	0.3
143.08568	0.2
143.10643	4.0
145.06468	0.3
145.10086	2.0
147.04372	100.0
147.11620	1.6
148.04724	2.0
149.05949	0.3
149.09569	2.3
149.13182	1.1
151.03860	0.2
151.11153	0.5
151.14801	0.1
153.05403	0.8
153.12582	0.1
155.08524	0.2
157.04939	0.3
157.06578	0.1
157.10144	0.7
159.04317	0.1
159.06616	0.1
159.07999	0.3
159.11664	1.6
161.05952	0.2
161.09529	0.2
161.13206	1.1
163.03891	0.1
163.11116	0.4
163.14777	0.8
165.05449	3.9
165.06859	0.3
165.12694	0.2
166.05779	0.1
167.14333	0.2
169.04987	0.8
169.06331	0.2
169.09979	0.1
171.08022	0.2
171.11661	0.5
173.05943	0.6
173.13174	0.9
175.11116	0.3
175.14796	0.7
177.05438	0.3
177.16309	0.3
179.14229	0.2
183.06502	0.1
183.11670	0.2
185.05975	0.3
185.09595	0.4
185.13152	0.2
187.07475	0.5
187.14784	1.1
188.07016	0.2
189.12659	0.2
189.16367	1.1
191.03381	0.6
191.14317	0.3
191.17900	3.7
192.18355	0.1
197.05902	1.0
199.03928	0.3
199.14815	0.6
201.16327	1.1
203.14174	0.1
203.17886	1.1
205.15750	0.1
207.17490	0.2
209.15221	0.1
211.07481	0.4
211.14781	0.1
213.05478	0.1
213.07288	0.1
213.09132	0.7
213.16341	0.7
215.06979	1.3
215.17943	0.5
217.15869	1.0
217.19473	0.6
219.17403	0.3
221.08000	0.1
221.13425	0.1
225.07594	0.3
225.16295	0.2
227.18037	0.3
229.08501	0.1
231.10182	0.4
231.17375	1.3
231.20966	0.2
233.07912	0.2
233.15318	0.6
235.16913	0.4
239.06963	0.9
239.09149	1.0
239.17792	0.2
241.19513	0.2
243.08618	0.2
243.20975	0.1
247.20493	0.1
249.18524	0.5
255.20923	0.2
257.08038	1.7
257.10223	0.4
257.22665	0.4
259.20627	0.2
261.09787	0.1
267.21085	0.1
269.22525	0.2
273.21893	0.2
275.08939	0.7
293.10123	24.5
294.10498	0.9
299.23654	0.3
315.26688	0.1
323.26978	0.1
325.24948	0.1
335.27258	0.3
341.28384	0.3
349.28986	0.2
351.30423	0.2
353.28265	0.3
369.31400	0.3
379.29764	0.2
389.12024	0.1
403.13623	0.5
403.33447	0.3
421.15021	0.8
421.34564	3.6
421.40033	0.2
425.14297	0.8
439.15933	2.7
439.35635	14.4
440.35815	0.8
457.36673	23.7
458.36929	1.4
475.37643	0.9
491.31137	0.1
535.18347	0.2
571.19952	0.8
571.39801	0.4
589.40869	10.2
590.41016	0.7
637.85699	0.2
735.34320	0.2
735.46704	2.6
736.47144	0.3
883.52740	0.1
952.38544	0.1
1024.89685	0.1
1027.55884	0.2
1045.57214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02898	18.2
75.04463	4.2
77.03924	0.6
79.05472	9.3
79.05913	0.7
81.03388	5.0
81.07037	25.4
83.01328	0.5
83.04958	27.5
83.08596	3.8
85.02885	100.0
85.06532	1.3
86.03225	1.7
87.04426	3.2
91.03943	1.2
91.05457	9.6
93.07024	19.1
95.04945	6.1
95.08582	25.3
96.08942	0.8
97.02867	51.8
97.06485	2.8
97.10165	2.3
98.03201	0.8
99.04427	5.8
99.08065	0.9
101.05979	1.0
103.03928	2.1
103.05422	0.8
105.01845	0.7
105.07003	17.3
107.04922	1.2
107.08567	27.0
108.08893	0.6
109.02868	2.9
109.06496	3.2
109.10130	30.3
110.10515	0.7
111.04418	30.4
111.08059	1.7
111.11729	0.5
112.04728	0.8
113.02369	2.0
113.05995	1.0
115.03901	27.9
116.04248	0.6
117.06973	2.2
119.07705	1.0
119.08555	20.7
121.06489	2.5
121.10114	24.8
123.04438	0.7
123.08042	3.5
123.11678	47.0
124.12049	1.8
125.02280	0.5
125.05967	1.9
125.09629	1.9
127.03877	10.3
128.06194	0.6
129.05452	33.9
129.07027	1.4
130.07736	0.5
131.08533	7.5
132.42244	0.4
133.04953	4.8
133.06525	0.7
133.10095	18.3
134.10443	0.6
135.04402	1.4
135.08023	1.9
135.11664	21.3
136.11974	0.7
137.05963	1.3
137.09569	1.5
137.13220	5.7
139.03856	3.0
139.07513	2.2
139.11176	1.3
141.05389	0.6
141.07002	0.6
142.07744	0.6
143.03392	0.6
143.08556	4.0
144.09239	0.7
145.04909	6.2
145.10081	12.9
145.11185	0.8
147.04538	0.9
147.06496	18.4
147.07823	1.0
147.11661	11.0
149.04451	1.1
149.05954	0.6
149.09592	1.8
149.13226	10.0
151.03853	0.5
151.07497	1.3
151.11147	0.9
151.14838	0.8
153.05394	1.0
153.09070	1.4
153.12740	1.0
155.08551	1.3
156.09328	0.7
157.03783	0.5
157.04926	2.5
157.10106	5.7
158.10788	0.7
159.07996	1.4
159.11656	14.1
160.12198	0.7
161.05948	0.7
161.09607	1.8
161.13219	10.5
163.03926	0.8
163.05992	2.4
163.07523	2.3
163.11209	1.7
163.14798	6.6
165.05476	1.2
165.07549	1.4
165.09102	2.0
165.12741	1.1
167.10661	0.8
167.14243	0.5
169.04968	1.9
169.10115	2.2
170.10828	0.7
171.06537	1.9
171.11649	5.5
172.12303	0.9
173.09590	3.7
173.13203	8.6
173.14572	0.8
174.13759	0.5
175.11195	1.2
175.14809	4.8
177.05400	0.6
177.09132	2.4
177.12738	1.6
177.16344	3.8
179.07022	1.2
179.10657	1.5
179.14319	0.7
181.05054	0.9
181.10081	0.5
181.12082	0.7
183.06496	1.0
183.11633	2.7
185.09634	0.5
185.13214	5.4
186.13742	0.7
187.05988	0.6
187.09627	0.7
187.11232	1.2
187.14754	9.8
188.15213	0.7
189.09090	1.3
189.12759	1.3
189.16342	7.8
191.10645	2.9
191.14317	0.8
191.17912	8.0
193.04968	0.7
193.12175	0.6
193.19518	0.6
195.06541	1.0
195.11659	1.1
197.13228	1.6
199.06021	1.3
199.11179	0.8
199.14784	3.4
201.11095	0.7
201.12767	1.6
201.16342	7.1
203.10663	1.1
203.14278	1.4
203.17920	8.5
205.12256	1.1
205.15823	1.0
207.06485	1.5
207.13756	0.7
207.17442	1.8
209.13312	0.6
211.06042	1.4
211.11211	0.6
211.14825	2.4
212.15729	0.5
213.07613	0.7
213.12701	1.1
213.16351	2.9
215.14339	1.0
215.17921	2.2
217.07115	0.9
217.12201	1.5
217.15848	1.1
217.19481	1.8
219.13759	2.2
221.15375	1.6
223.06013	1.8
223.14792	1.4
225.07533	14.3
225.16345	1.2
227.14287	1.1
227.17931	2.0
229.07100	2.7
229.15862	1.3
229.19478	1.2
231.08598	1.0
231.13855	1.4
231.17484	0.8
233.15378	2.6
235.16887	1.0
237.07655	1.3
239.17949	1.0
241.07108	2.1
241.15826	0.9
241.19519	1.9
243.08594	12.6
243.13823	0.9
243.21263	0.8
245.15309	2.8
247.08139	0.6
247.16891	9.7
251.17874	0.6
253.19415	1.2
255.08611	2.6
255.21056	3.0
257.15390	0.8
259.08069	3.3
259.17010	0.8
261.09644	4.0
265.09171	2.5
267.20996	1.1
269.22653	0.8
273.09586	2.8
273.18469	0.9
275.20117	1.1
279.10684	25.2
279.20981	1.0
280.11163	1.0
281.22659	1.2
283.20499	0.7
285.18420	0.8
285.22415	0.6
287.20111	0.6
295.10132	3.2
295.20465	0.9
295.24112	0.6
297.22052	1.3
299.19907	1.1
299.23618	1.0
301.21729	1.5
309.11752	4.9
311.23730	1.0
313.21591	3.0
313.24933	0.8
315.23059	6.5
323.27435	0.7
327.23154	1.0
327.26788	0.8
351.26846	0.7
355.26297	1.5
367.26212	1.6
369.27765	5.5
373.27277	3.9
377.32077	1.5
381.27805	1.5
383.29761	0.6
387.13083	0.7
387.29041	2.6
391.28387	12.1
391.33139	1.0
392.28955	0.6
395.28943	1.0
395.33221	1.4
401.31107	0.8
407.33093	0.7
409.34628	4.6
413.30765	0.6
419.33102	3.3
423.32568	1.3
425.34207	1.2
435.32605	2.1
437.34067	26.6
438.34296	2.6
441.29916	1.7
453.33768	6.9
454.33932	0.8
455.35132	87.2
456.35403	8.1
457.36783	0.6
465.33762	0.9
467.35043	3.8
471.34595	5.6
473.36133	0.8
479.35120	1.4
489.35672	11.4
490.35782	1.1
497.35873	1.4
507.34641	1.9
509.36115	1.8
529.36615	1.9
533.36353	3.4
539.37030	0.6
547.37714	10.4
548.38263	1.1
551.37128	2.9
565.38782	10.8
566.39362	0.8
569.38098	0.7
583.39612	1.4
587.39160	6.0
599.39337	0.7
601.40839	1.4
633.39984	5.7
634.40466	0.7
635.40436	0.6
651.41425	1.1
679.42236	1.1
697.42621	1.1
733.44623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5566
Annotation	Jujuboside B
Peak:m/z	Relative Intensity
73.02902	12.6
73.06537	0.4
75.04469	2.2
77.03896	0.3
77.48397	0.2
79.05008	0.4
79.05474	8.8
81.03416	2.5
81.07040	22.2
83.04576	0.3
83.04961	13.8
83.08603	3.8
85.02888	56.8
85.06531	1.2
86.03198	0.6
86.06047	0.4
87.04462	2.5
91.03928	0.5
91.05457	8.9
93.07024	18.4
94.51486	0.3
95.04960	3.3
95.08588	26.1
96.08916	0.4
97.02873	30.9
97.06509	3.6
97.10150	4.8
99.04449	2.0
99.08074	0.8
101.06013	0.5
103.03939	1.5
103.05438	0.5
105.07008	15.4
107.04941	1.2
107.08572	29.8
109.02841	1.6
109.06486	2.3
109.10135	38.3
110.10544	0.3
111.04421	9.7
111.08057	2.4
111.11691	1.3
112.04747	0.3
113.02351	0.9
113.05963	0.8
113.09660	0.4
115.03909	17.7
117.05473	0.5
117.06986	2.8
119.04913	0.9
119.07853	0.2
119.08553	21.2
121.06495	2.1
121.10120	23.4
122.10368	0.4
123.04436	1.2
123.08058	2.1
123.11683	20.9
124.12052	0.3
125.02313	0.4
125.05965	0.8
125.09602	5.8
127.03893	5.4
127.11177	1.0
128.06201	0.5
129.05455	17.8
129.06839	1.3
130.07687	0.3
131.08537	7.2
133.04948	3.4
133.06459	0.5
133.10100	17.5
134.10481	0.3
135.04399	0.7
135.08037	2.8
135.11667	23.8
137.05966	1.0
137.09584	1.3
137.13225	6.4
139.03891	2.0
139.07509	1.2
139.11159	1.7
141.05479	0.3
141.06950	0.5
142.07779	0.7
143.08546	4.1
143.10614	1.6
144.09293	0.4
144.11002	0.4
145.04942	4.2
145.06395	0.5
145.10103	10.8
147.04445	2.3
147.06508	8.1
147.07996	1.3
147.11659	10.8
148.04745	0.8
149.04433	1.2
149.05954	0.6
149.09581	1.9
149.13232	8.6
151.03853	0.8
151.07530	1.2
151.11151	1.5
151.14819	1.4
153.05435	0.8
153.09096	0.8
153.12694	0.9
155.07419	0.3
155.08479	1.4
156.09341	0.8
157.04948	1.2
157.10112	5.4
158.10822	0.4
159.07968	1.3
159.10332	0.6
159.11667	11.9
161.06017	0.3
161.09592	2.0
161.13229	9.8
163.03937	0.6
163.06001	1.8
163.07532	3.4
163.11168	1.6
163.14799	7.3
165.05510	0.5
165.07646	0.7
165.09088	1.5
165.12756	0.6
165.16397	0.6
167.10757	0.6
168.09328	0.3
169.04967	1.0
169.08873	0.3
169.10091	2.1
170.10934	0.4
171.06512	1.6
171.07927	0.4
171.11659	4.9
173.08340	0.3
173.09659	1.4
173.13232	8.7
175.11205	1.6
175.14789	6.8
177.05536	0.3
177.09125	2.0
177.12703	2.0
177.16321	3.1
179.07050	0.7
179.08717	0.4
179.10611	2.2
179.14285	1.3
181.05037	0.3
181.10126	0.7
183.06479	0.6
183.11659	2.2
185.09526	0.5
185.13217	5.0
187.05957	0.3
187.11169	1.1
187.14783	9.7
189.09111	1.4
189.12738	1.1
189.16339	7.5
191.10580	1.8
191.14282	1.3
191.17900	6.2
193.04967	0.5
193.12267	0.7
193.15895	0.5
193.19637	1.3
195.06508	0.4
195.11671	0.5
196.12488	0.3
197.13177	1.9
199.05969	0.6
199.11226	0.3
199.14787	4.2
201.07535	0.4
201.12730	1.4
201.16357	5.5
203.10617	1.4
203.14215	1.5
203.17923	6.6
205.12242	1.1
205.15863	0.9
205.19487	1.0
207.06516	0.6
207.11870	0.4
207.13823	1.0
207.17406	1.7
209.13242	1.0
211.06001	1.1
211.14728	1.8
213.07480	0.4
213.12717	0.8
213.16304	3.3
215.10869	0.4
215.14404	1.5
215.17902	2.9
217.07086	0.6
217.12277	0.9
217.15906	1.6
217.19453	2.4
219.13805	1.8
219.17502	0.7
219.21082	1.1
221.13377	0.4
221.15373	0.7
223.05968	1.1
223.14865	1.0
225.07521	6.8
225.16261	1.6
227.14346	0.7
227.17894	2.1
229.07066	0.9
229.15842	1.7
229.19354	1.6
231.13765	1.7
231.17416	0.8
231.20995	0.3
233.15331	2.1
235.14844	0.3
235.16942	0.9
237.07585	0.5
237.16350	0.8
239.17967	1.2
241.07036	1.1
241.15857	0.9
241.19391	1.6
243.08601	5.4
243.13902	0.4
243.17375	0.7
243.20943	1.4
245.15289	2.2
247.08034	0.3
247.16904	3.8
249.18559	0.4
251.18033	0.9
253.19499	1.6
255.08635	1.0
255.17455	0.6
255.21059	2.5
257.15399	0.5
257.18939	0.9
257.22742	0.6
259.08063	1.6
259.16968	1.3
261.09683	1.9
261.18497	0.7
265.09180	1.0
265.19611	0.8
267.17508	0.5
267.21033	1.0
269.19315	0.4
269.22644	1.1
271.17026	0.3
271.20624	0.5
273.09647	1.2
273.18497	1.0
273.22220	0.4
275.20096	0.6
279.10712	9.3
279.21091	0.9
281.22568	1.2
283.20633	0.6
283.24127	0.6
285.18533	1.0
285.22073	0.5
287.19983	0.5
289.21646	0.4
293.10129	0.7
293.22632	0.8
295.10208	1.6
295.21002	0.4
295.24213	1.7
297.22095	1.1
297.25381	0.5
299.20132	1.2
299.23657	0.6
301.21555	1.2
301.25116	0.4
309.11829	1.8
309.25864	1.0
311.23605	1.1
313.21558	1.4
313.25232	1.9
315.19736	0.5
315.23117	3.8
321.25696	0.6
323.27292	1.2
327.23349	0.6
327.26810	0.7
329.24838	0.7
331.26306	0.9
333.25592	0.6
337.25388	0.5
339.23239	0.5
339.26953	0.7
341.28464	0.7
349.28137	0.4
351.26901	1.3
355.26352	1.1
357.24115	2.1
357.28015	0.7
363.26981	0.4
369.27820	10.6
370.28281	0.4
373.27216	1.6
375.25009	0.3
377.32013	1.6
379.64304	0.4
381.27545	1.4
387.28864	4.0
391.28387	3.4
391.33661	0.9
395.33060	3.2
399.28848	1.6
401.31995	1.3
405.29816	0.5
407.33011	1.6
409.34601	2.7
417.29849	1.4
419.32977	5.3
421.34958	0.3
425.34125	2.7
427.35327	0.3
437.34085	19.1
438.34485	1.0
439.35693	3.3
455.35144	38.0
456.35403	2.3
457.36685	0.5
473.36182	100.0
474.36551	5.1
547.37891	0.3
551.36597	0.4
565.38184	0.4
587.39325	1.2
605.40619	2.5
641.10913	0.3
733.07593	0.3
751.46411	0.4
767.45306	1.0
856.86346	0.3
881.48511	0.6
899.51111	0.3
1027.54041	1.0
1045.55762	0.7
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
58.06594	3.0
59.07372	1.0
60.08157	32.1
61.08495	0.2
69.03422	0.4
70.87257	0.5
71.85978	0.2
86.06064	0.4
87.04453	1.7
104.10731	100.0
105.11036	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	1037.495
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02919	0.8
79.05473	9.8
81.03412	4.6
81.07045	8.9
83.04959	3.7
83.08597	3.5
85.02883	2.7
85.06533	1.9
91.05473	12.1
93.07037	12.3
94.06554	5.7
95.04955	100.0
95.08595	8.7
96.05247	1.3
97.02865	3.0
97.06510	1.9
99.04438	10.2
103.03973	0.9
103.05430	1.2
105.07008	14.1
106.06530	3.3
107.04912	2.3
107.08578	18.5
108.08106	15.8
109.02867	2.6
109.06508	8.5
109.10152	5.4
111.08045	2.3
112.07595	1.2
114.09135	1.3
115.05428	2.5
117.07027	3.8
118.06471	0.9
119.04877	1.0
119.08573	9.5
120.04440	1.4
120.08054	2.3
121.06438	2.7
121.10127	11.7
122.05184	1.4
122.06015	17.5
122.09608	1.9
123.08042	11.6
123.11687	4.1
124.07581	1.3
127.03902	3.0
129.06989	2.0
130.07759	0.9
131.08551	10.6
133.06537	1.0
133.10118	24.9
134.05971	2.2
135.08035	24.5
135.11676	2.4
136.06120	0.8
136.07523	3.7
137.05977	2.2
138.05475	1.7
140.07048	24.1
143.08521	3.2
144.04385	1.9
144.09340	1.0
145.02771	1.7
145.10101	7.8
146.05995	7.9
146.09639	1.3
147.04385	2.2
147.08026	1.6
147.11650	7.0
148.07556	19.2
149.09584	3.9
149.13257	6.2
150.09126	7.1
151.07501	2.3
152.07025	5.6
153.09094	14.7
156.09428	0.9
158.10869	3.7
160.07550	2.9
161.13220	1.5
162.05495	2.3
162.09096	3.1
163.03882	1.7
163.11198	5.3
163.14833	1.8
164.07057	5.1
165.12695	3.5
166.08624	5.1
167.07089	1.8
171.11682	2.0
172.03920	11.2
173.13245	17.3
174.05495	10.2
175.11203	1.5
176.07085	5.7
177.05463	3.3
178.08640	1.2
188.06981	1.2
189.12677	5.5
190.04962	4.1
190.08690	0.9
190.13077	0.9
191.05772	0.8
191.14278	50.9
192.06563	1.9
192.14574	1.8
194.08069	0.9
200.07036	1.3
202.08569	1.6
203.14305	1.3
204.06523	15.7
205.06953	1.1
206.08118	4.9
207.06606	1.1
207.13763	15.2
208.09619	4.7
209.10709	2.5
209.15334	9.4
210.11453	3.7
211.12238	3.6
213.13873	1.0
215.11623	1.0
216.09979	1.6
218.08296	1.1
221.10675	1.9
222.11453	2.2
223.12320	4.4
224.13042	2.7
225.10210	3.3
225.13765	4.5
226.10985	1.4
226.14456	1.1
227.11780	3.8
235.08684	2.4
235.12228	2.3
236.09341	1.7
236.12946	1.9
237.10208	10.1
237.13754	4.7
238.10831	6.2
238.14503	1.4
239.11781	19.3
239.15477	0.9
240.12440	4.8
241.13306	5.0
243.11208	1.7
248.09248	4.7
249.10178	11.8
249.13754	1.9
250.10890	8.9
251.11781	40.3
252.12462	10.3
253.13329	29.8
254.13936	4.8
255.14867	2.2
261.10052	1.5
261.12427	1.3
262.10989	2.0
263.11761	32.3
264.09238	1.5
264.12415	9.2
265.09750	11.2
265.13312	42.4
266.10498	4.2
266.14056	10.5
267.11310	9.3
267.14743	6.7
268.11823	2.5
268.15659	1.5
269.12830	4.2
271.14432	1.1
273.16006	1.1
274.10696	3.8
275.11761	3.2
276.12466	1.6
277.09677	10.2
277.13330	5.2
278.10370	8.7
278.13550	1.3
279.11252	65.8
280.11884	11.6
281.12793	19.5
282.13379	2.6
283.14276	2.0
285.12292	3.1
287.13879	9.7
289.09799	1.1
291.11270	14.9
292.11884	9.8
293.09470	1.6
293.12808	28.3
294.13547	7.8
295.10715	10.2
295.14362	8.7
296.11533	4.5
297.12308	14.4
298.12878	3.1
299.13843	5.0
305.12759	2.4
306.13416	0.9
307.10812	1.7
307.14346	1.8
308.11145	0.9
309.12302	18.2
310.12897	22.0
311.13837	42.9
312.10941	1.3
312.14514	6.7
313.11826	4.6
313.15402	10.7
314.15811	1.2
315.13809	1.0
319.10782	12.0
319.14246	2.0
320.11331	2.0
321.12341	14.7
322.12845	1.6
323.13840	3.5
324.14697	1.2
325.15259	1.7
326.12448	1.0
327.13376	1.2
328.14102	3.9
331.12823	2.1
336.10690	1.6
337.11771	10.4
338.12469	4.0
339.13379	14.6
340.13834	1.6
341.14890	1.5
342.16068	0.9
345.14444	5.8
346.15030	0.9
347.13434	0.9
349.11258	1.3
351.13345	7.1
352.14191	1.5
353.14957	5.6
354.11749	1.4
354.15640	1.9
355.12378	1.0
355.16623	1.5
356.13831	1.0
358.15491	1.4
367.16635	1.6
369.14407	5.8
370.15231	1.8
371.16156	4.0
377.14832	1.2
379.12726	3.4
380.13446	2.2
381.14114	4.3
383.15952	2.9
384.17108	1.1
391.16599	1.1
393.13980	1.6
394.15292	1.2
395.15942	6.1
396.16916	1.5
397.17502	2.2
398.14932	2.4
398.53116	0.8
399.15607	3.1
400.16382	3.1
405.14377	1.9
407.15811	2.5
411.15524	5.2
412.16138	1.7
413.17053	5.5
414.17636	2.7
415.18857	1.7
416.15668	1.2
417.14581	1.8
418.17432	1.4
419.15955	4.1
420.16986	1.2
421.13654	1.1
422.14078	1.0
422.75586	1.0
423.15417	2.8
425.16934	2.8
426.17764	1.1
427.18576	2.0
431.18060	2.4
435.15576	4.4
436.16177	1.6
437.16971	9.0
438.17621	3.3
439.14090	4.7
440.15591	3.4
441.16382	6.9
442.16681	1.5
443.18042	1.7
445.13895	1.7
447.15747	1.3
449.18951	1.2
452.21774	1.9
453.16541	14.2
454.17310	6.7
455.18011	26.5
456.18835	7.7
457.19739	1.6
458.16687	1.3
459.17551	2.7
460.18045	1.2
463.14914	8.5
464.15561	3.3
465.16589	6.1
467.20050	2.6
469.16080	1.0
471.17676	8.8
472.18005	4.5
473.19241	10.3
474.19769	2.2
478.19739	1.8
481.16028	46.2
482.09879	1.7
482.16736	24.5
483.17596	17.9
484.17908	2.5
492.21478	1.2
496.18622	1.1
499.17004	25.9
500.17697	8.6
501.18488	5.2
502.18912	1.2
513.18701	10.3
514.19275	3.4
515.20227	4.2
518.27509	5.0
531.19653	6.9
532.20288	2.7
533.21063	1.8
536.28339	5.7
552.22260	1.0
560.23694	2.8
575.23914	1.4
578.25342	4.2
584.19971	1.8
586.21600	2.6
596.25903	16.4
597.25977	2.1
602.21082	3.7
604.22559	6.3
606.24005	2.1
610.24316	1.3
614.27069	13.0
615.26123	0.9
617.25800	2.6
618.24164	1.2
620.22052	2.3
622.23834	47.3
623.23877	3.6
624.25391	7.4
636.25348	4.0
638.24115	2.6
640.24951	43.3
641.25421	5.5
642.26215	4.0
654.26532	33.6
655.26941	2.9
656.28204	6.8
663.32178	1.8
672.27606	37.7
673.27722	8.6
674.27997	4.3
677.27380	1.6
689.30725	7.7
699.30316	1.8
707.31635	10.6
708.31793	1.9
717.31390	1.1
721.32831	1.7
725.28259	5.2
735.31543	3.2
739.34070	1.7
743.29211	23.9
744.29187	2.9
761.30328	16.1
762.30188	1.3
775.31439	7.2
779.31238	46.3
780.31158	4.9
781.31238	0.9
786.39014	1.0
793.32202	3.6
794.35382	1.2
797.32141	5.6
804.40613	10.9
811.33832	17.3
812.35236	3.9
813.34845	1.7
820.38806	1.0
822.40881	1.7
829.35107	6.4
830.38385	32.5
831.38123	2.8
848.39490	70.1
849.40192	5.9
862.41003	17.4
863.39563	1.2
880.42169	30.0
881.42084	2.9
951.42511	2.7
969.43878	4.4
987.45502	6.9
1001.47064	1.1
1005.45984	3.7
1019.47375	2.9
1037.48193	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	1035.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.79794	0.7
71.80159	0.7
73.02908	0.7
79.05487	2.1
81.03410	3.6
81.07053	1.9
83.04953	0.9
85.02890	3.6
86.25357	0.5
89.03899	0.7
90.29252	0.6
91.05459	5.6
93.05819	0.5
93.07043	2.1
94.06545	3.1
95.04967	1.9
95.08566	0.6
97.02885	2.0
99.04449	0.7
103.05449	1.0
105.06999	7.2
106.06550	2.1
107.04971	0.8
107.08582	2.1
108.04458	0.7
108.08096	9.4
108.08791	0.7
109.02866	1.8
109.06496	1.2
109.10134	0.7
111.04465	0.7
111.08097	0.7
112.07579	1.1
114.09158	2.1
115.05446	0.7
117.03331	0.7
117.07001	1.3
118.06587	0.9
119.04950	2.4
119.08542	6.0
120.08086	2.3
121.10137	2.8
122.06004	9.4
122.06810	0.7
122.09643	0.6
123.04419	0.9
123.11710	1.3
124.07607	0.6
127.03902	1.8
128.06190	1.1
129.07033	1.2
130.07790	0.9
131.04997	0.8
131.08539	3.3
132.08080	0.8
133.06487	2.4
133.10123	1.5
134.05998	1.6
135.08073	0.8
135.11777	0.6
136.07629	3.1
137.05962	1.8
138.05476	0.9
138.22517	0.6
140.07037	16.8
141.06961	1.3
143.08553	1.3
144.04449	0.9
144.08086	0.6
145.02861	2.1
145.05061	0.7
145.10110	3.8
146.05960	6.2
147.04376	4.0
147.06821	0.7
147.08023	0.9
147.11662	6.2
148.07542	10.8
149.05949	1.1
149.09641	1.8
150.09157	2.4
151.07484	0.6
152.07013	3.3
154.08575	0.6
155.08597	0.6
156.09325	2.8
159.08032	1.5
159.11746	1.6
160.09726	0.7
161.05960	1.1
162.05536	1.4
162.09076	1.2
163.03925	1.4
164.07047	5.2
165.05528	0.8
166.08572	4.1
167.07074	1.7
171.11687	0.9
172.03923	6.0
173.09685	0.6
174.05482	5.9
174.09103	0.7
174.10455	1.7
175.03917	2.3
176.07031	3.6
177.05447	4.9
181.04889	0.9
181.08696	0.6
184.07458	0.5
189.12694	5.2
190.05002	2.4
191.05687	0.8
192.06497	1.5
197.10741	0.7
204.06517	12.1
204.08311	0.7
206.08099	4.0
207.06522	2.0
208.09560	2.6
209.10751	1.1
210.11525	1.7
211.12314	2.2
212.13057	1.1
216.10251	0.6
221.10698	1.0
222.11519	1.6
223.12236	2.9
224.13112	1.7
225.10228	1.9
225.13829	2.4
227.11832	2.4
235.08662	1.7
235.12346	2.2
236.09320	0.9
236.13133	1.5
237.10193	6.7
237.13802	3.3
238.10887	4.1
238.14702	0.6
239.11758	11.7
240.12558	3.6
241.13321	2.6
243.11211	0.9
248.09236	2.8
249.10149	8.0
249.13840	0.9
250.10899	7.0
251.11761	27.8
252.12477	7.6
253.13329	22.3
254.14099	2.4
259.10876	0.7
261.09979	0.7
261.12363	1.4
262.11072	1.8
263.11761	26.4
264.09232	1.1
264.12573	6.3
265.09821	9.6
265.13397	33.9
266.10614	3.1
266.14078	8.0
267.11334	5.5
267.14621	4.0
268.09424	0.6
268.12009	2.1
268.15710	1.8
269.12836	2.7
271.10709	0.9
271.14395	1.1
275.11792	1.6
277.09763	7.7
277.13358	2.6
278.10428	6.8
279.11230	48.6
280.11877	6.2
281.12802	10.4
281.15668	0.9
282.13391	1.2
283.11002	1.2
283.14468	2.2
285.12296	3.2
287.13870	5.5
289.09698	0.7
289.13156	0.7
291.11194	13.7
292.11880	4.2
293.12781	18.0
293.15909	1.2
294.13495	3.7
294.18652	1.0
295.10825	10.0
295.14429	4.4
296.11542	1.8
297.12317	10.5
298.13074	1.9
299.14035	3.3
307.10910	1.7
307.14371	0.7
308.11221	1.1
309.12305	18.1
309.15445	0.7
310.12891	14.9
311.13840	32.8
312.14508	5.1
313.11908	3.3
313.15533	7.8
319.10760	11.6
319.14368	1.2
320.11453	2.0
321.12320	8.6
321.15842	0.7
323.14008	1.7
325.11719	1.7
325.15689	1.4
328.13989	4.4
331.13211	1.9
333.12338	0.8
336.10556	1.0
336.19821	0.8
337.11819	12.8
337.15622	1.0
338.12375	5.4
339.13367	11.1
340.14233	0.8
341.15225	1.3
343.14215	0.6
345.14536	3.7
351.13403	6.5
352.14252	0.8
353.14987	4.6
354.15829	1.2
354.20490	0.8
355.12585	0.9
355.16653	1.1
357.14319	1.0
358.15445	1.2
365.15070	1.3
367.12836	1.3
369.14407	9.7
370.15012	3.0
371.16360	2.7
372.17175	1.1
374.14743	1.3
377.14883	1.1
379.12616	3.3
380.13327	1.1
381.14243	3.3
383.16095	2.8
391.17661	0.7
393.14270	1.1
395.15997	3.5
395.20709	0.7
397.13376	1.1
398.15039	1.7
399.15509	2.7
400.16599	2.6
407.16330	1.1
409.18015	1.1
411.15411	5.6
412.16229	2.4
413.17041	4.1
414.17880	0.8
416.16196	1.7
417.15018	0.6
419.16068	2.5
423.15601	2.2
425.16980	1.6
427.18436	1.5
431.18039	1.2
433.19876	0.7
435.15604	3.0
436.16495	1.6
437.17038	6.4
438.17853	2.2
439.14713	6.6
440.15662	2.7
441.16528	4.2
442.17456	1.4
443.18152	1.1
444.19016	1.0
445.14011	1.6
447.15793	0.9
449.18884	1.2
452.21732	1.6
453.16483	8.5
453.21814	0.9
454.17203	4.1
455.18091	20.2
456.18884	5.0
458.16949	0.8
459.17850	1.1
460.18735	2.3
463.14944	5.6
464.15527	2.8
465.16977	1.2
467.20361	1.9
471.17575	12.1
472.18365	5.3
473.12973	0.9
473.19159	6.4
474.20279	1.0
476.18161	0.7
478.19504	1.7
481.15997	33.9
482.16702	16.8
483.17517	8.2
495.17676	1.3
498.25165	0.6
499.17068	43.5
500.17740	12.4
501.18527	4.6
510.22305	10.8
511.23206	1.0
513.18561	7.3
514.19427	2.1
515.20428	2.5
516.26001	7.0
531.19745	16.2
532.20465	2.3
533.21417	2.8
540.22534	0.7
552.23230	0.9
560.24017	1.0
576.23071	0.9
578.24554	2.2
579.23828	0.6
580.22400	0.8
584.20306	0.7
586.21973	1.0
596.25970	11.0
599.24915	0.8
602.21021	1.7
604.22656	3.3
614.26923	10.1
615.24402	0.8
617.26208	2.8
620.22266	1.9
622.23907	22.8
623.24469	0.9
624.25897	0.8
635.27148	2.7
636.25916	1.1
638.23260	1.1
640.24927	58.6
641.25110	3.1
645.28143	0.9
654.26440	27.9
655.26886	1.0
656.24744	0.7
658.25995	1.3
667.29700	2.0
672.27521	100.0
673.27454	4.3
677.28571	1.3
687.28699	3.7
688.29456	1.7
699.30530	0.9
702.46783	0.7
707.26672	0.8
717.31274	1.2
719.31018	1.8
725.27924	2.3
735.32385	2.0
743.29163	12.7
761.17224	1.0
761.30200	12.4
762.30487	1.0
769.33173	0.9
775.31934	5.8
779.31189	39.3
780.31763	1.7
784.37891	1.3
792.34576	1.5
793.33008	4.5
797.32440	10.1
802.38812	2.0
810.35901	3.6
811.33838	21.4
812.33844	1.3
824.37347	0.7
828.36914	28.6
829.35168	14.7
842.38666	1.5
846.37024	2.5
860.39484	15.2
861.40308	0.8
878.40735	1.6
949.41315	2.2
967.43164	0.9
981.43616	0.8
985.44073	4.6
999.45648	0.9
1017.47504	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.5
51.02362	1.4
53.03944	15.8
55.01863	0.7
56.96558	2.3
57.03431	0.9
58.06588	0.9
60.08145	1.9
69.03429	1.3
69.67928	1.0
69.68328	2.7
77.03931	2.6
81.03385	1.1
85.02888	1.3
86.03229	1.5
86.06058	0.7
87.04441	2.5
90.84832	0.5
95.04959	28.8
96.05312	0.5
98.21467	0.5
102.04677	3.7
103.04039	3.4
103.05457	100.0
104.05806	2.9
104.10737	7.6
105.04497	4.8
111.57760	0.4
113.87954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
53.03940	15.2
55.01868	1.0
56.96559	27.6
57.03421	1.3
58.06603	0.8
58.96152	2.0
59.06094	0.9
60.08163	4.7
60.95842	3.3
67.51062	2.3
69.03407	1.5
70.12266	0.6
70.34512	1.9
70.51501	0.8
74.97609	0.7
76.51553	2.4
77.03917	3.2
77.51368	1.0
79.01842	4.5
79.52016	5.4
81.01455	0.9
81.03404	1.4
85.02888	3.8
86.03226	1.1
86.06071	1.6
87.04460	5.0
88.02350	4.2
88.51608	0.8
88.52589	3.2
89.02153	0.7
90.02022	0.9
90.80392	0.6
95.04958	31.0
102.04675	4.0
103.03990	7.3
103.05455	100.0
104.05807	2.2
104.10731	10.3
105.04517	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	1029.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
71.79605	0.8
72.08133	0.8
73.02913	4.2
75.04454	1.6
77.03915	0.9
79.05477	10.8
79.82680	0.6
81.03403	18.7
81.07043	30.8
83.04969	10.8
83.08603	6.2
85.02892	79.6
85.06530	1.1
86.03221	1.3
87.00813	15.0
87.04471	1.2
91.03973	1.4
91.05457	13.3
93.07029	21.5
95.04967	5.1
95.08588	31.3
97.02232	1.4
97.02875	28.3
97.06519	3.6
97.10150	7.0
99.04434	10.9
99.08063	1.3
103.03928	1.2
105.01850	31.1
105.04485	0.9
105.07020	19.1
107.04936	1.6
107.08573	34.0
109.02864	22.9
109.06487	4.0
109.10139	44.1
111.04422	10.4
111.08086	3.6
111.11681	1.0
115.03894	1.3
115.05441	1.4
117.01830	1.2
117.07003	4.3
119.08564	23.7
121.06513	2.9
121.10130	28.0
122.10498	1.3
123.08076	2.2
123.11683	25.9
125.02345	1.1
125.05981	1.4
125.09606	8.3
127.03895	51.4
127.11168	1.3
128.06212	1.0
129.01836	3.0
129.05452	8.5
129.06976	2.1
131.08522	10.2
133.06412	1.0
133.10106	20.3
135.08072	4.1
135.11673	27.9
137.09599	1.0
137.13217	9.3
139.07552	1.0
139.11171	1.4
141.06969	0.9
142.07779	0.8
143.08554	6.2
143.10686	1.9
145.04938	20.8
145.10091	14.7
146.10434	0.8
147.02892	1.6
147.04341	3.5
147.06509	3.1
147.08028	2.3
147.11662	14.9
148.04785	0.9
149.09621	3.7
149.13248	10.0
151.03935	1.0
151.07491	1.4
151.11177	1.0
151.14793	1.9
153.05412	0.9
153.09142	1.3
153.12769	1.0
155.08545	1.9
157.10098	7.4
159.02890	7.7
159.08022	1.7
159.11662	15.0
161.09679	1.9
161.13231	11.5
163.07533	3.2
163.11159	2.1
163.14792	7.3
165.09074	1.7
165.12784	1.0
167.10724	0.9
169.10062	3.6
170.10851	1.1
171.02945	0.9
171.06552	1.0
171.11658	7.6
173.09700	1.3
173.13237	11.0
175.11180	2.0
175.14801	6.9
177.03847	1.0
177.09096	2.5
177.12762	1.7
177.16371	3.6
179.10692	2.5
179.14279	1.0
183.11713	3.1
185.13243	5.1
187.11151	1.6
187.14766	12.7
187.16266	0.8
189.03915	2.5
189.09097	1.4
189.12746	1.9
189.16376	8.4
191.10660	2.0
191.14330	1.6
191.17908	9.0
193.19617	1.2
195.11635	1.8
197.13235	4.0
199.14824	4.3
201.12714	1.7
201.16347	8.0
203.10724	1.6
203.14180	1.1
203.17921	8.5
205.12314	1.3
205.15881	1.2
205.19511	1.4
207.17433	1.6
209.13342	1.2
211.14796	2.7
213.03940	6.9
213.12706	0.8
213.16336	4.2
215.14401	1.8
215.17970	3.3
217.12431	1.0
217.15968	1.1
217.19499	3.0
219.13812	1.9
219.20930	1.2
221.15355	1.0
223.14771	1.1
225.16429	1.4
227.17957	2.2
229.15852	3.0
229.19524	2.6
231.04956	19.7
231.07043	1.3
231.13757	1.8
233.15334	2.1
237.07564	3.3
239.17847	1.0
241.19406	2.0
243.17424	1.4
243.21005	4.1
245.15300	3.6
247.16867	4.6
249.06018	14.1
253.06938	1.8
253.19421	2.1
255.08640	1.8
255.21054	3.2
255.52054	0.8
259.14194	0.8
259.16953	2.0
267.21082	1.6
269.22495	1.4
271.08282	0.9
273.09720	1.0
273.18481	1.5
274.27362	0.9
275.20227	1.0
279.21036	0.9
281.22485	0.9
283.20776	1.1
283.24228	2.0
285.18573	1.5
285.22079	1.0
293.22534	1.5
295.20795	0.8
295.24182	2.8
297.22263	1.2
297.25778	1.1
299.20258	1.3
299.23544	1.5
309.25909	1.1
311.23648	1.2
313.21841	1.3
313.25256	2.7
315.10757	1.5
315.23163	4.4
323.27396	1.2
339.26929	1.1
341.08646	2.5
355.26074	1.8
357.24231	2.2
359.09717	1.6
369.27905	12.6
370.28146	1.0
370.96585	0.8
373.27463	2.3
377.10843	1.1
377.32068	2.4
381.28003	1.9
387.28946	3.8
391.28540	4.1
391.33102	1.3
393.10162	0.9
395.11301	0.8
395.32971	3.5
399.28922	2.3
401.32254	1.4
407.33102	2.8
409.34488	5.8
419.33102	8.7
425.34192	2.9
437.34106	36.5
438.34485	1.7
439.35660	1.8
455.35162	57.8
456.35538	2.0
457.36264	1.0
473.36200	100.0
474.36652	2.9
560.90314	0.8
609.66815	0.9
617.39838	1.5
635.41095	3.1
763.46179	0.8
865.45593	5.7
883.45160	1.3
1011.50934	2.9
1029.56982	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	1029.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02898	4.2
75.04450	1.5
77.03899	0.7
79.05476	12.0
81.03400	25.5
81.07038	30.7
83.01336	1.1
83.04960	13.3
83.08601	6.4
85.02886	93.0
85.06512	1.7
86.03240	0.9
87.00809	20.5
87.04449	1.5
91.03925	1.4
91.05450	13.8
93.07024	24.1
95.04952	4.9
95.08585	36.8
97.02870	28.8
97.06490	3.8
97.10145	6.4
99.04436	12.4
99.08061	1.9
101.02357	0.7
101.20228	0.5
103.03927	0.9
103.05446	1.3
105.01842	37.6
105.07005	21.5
107.04958	1.6
107.08567	38.1
109.02854	27.2
109.06513	2.5
109.10133	46.2
111.04417	9.1
111.08057	2.3
111.11694	1.4
115.03923	1.4
115.05432	1.1
117.01853	1.7
117.07004	4.0
118.90424	0.6
119.08557	26.8
121.06477	3.4
121.10120	30.9
123.04387	1.8
123.08055	3.5
123.11677	24.0
124.12006	0.6
125.02280	1.0
125.05977	0.8
125.09605	10.0
127.03886	60.4
127.11161	2.3
129.01831	3.1
129.05460	7.5
129.06946	3.0
131.08537	10.1
133.06458	1.5
133.10097	23.0
135.04369	0.9
135.08035	4.6
135.11664	28.9
135.95340	0.6
136.11966	0.6
137.05980	0.9
137.09596	1.2
137.13216	10.0
139.03873	1.1
139.07513	1.0
139.11159	1.8
141.06972	0.9
142.07771	1.3
143.08543	6.3
143.10623	1.3
145.04935	22.9
145.10092	16.0
147.02835	2.0
147.04393	1.7
147.06522	2.6
147.08057	1.6
147.11656	15.2
148.04657	0.8
149.05933	0.7
149.09558	3.4
149.13219	11.8
151.03859	0.7
151.07521	1.4
151.11186	1.1
151.14796	1.6
153.05463	0.7
153.08994	1.0
153.12718	1.1
155.08548	1.7
156.09360	0.8
157.10094	8.6
158.10860	1.3
159.02864	10.1
159.08078	1.7
159.11661	16.5
161.09615	2.2
161.13219	12.5
163.07469	3.3
163.11143	2.0
163.14793	7.4
165.09093	1.5
165.16321	0.8
169.05049	0.7
169.10124	3.1
170.10815	0.7
171.02861	1.1
171.06525	0.7
171.07991	0.6
171.11618	7.8
173.09586	1.3
173.13222	10.8
175.11128	2.0
175.14792	7.9
177.09138	3.1
177.12727	1.8
177.16341	4.1
179.10645	1.6
179.14270	1.9
181.04802	0.7
181.10086	0.8
183.11664	2.2
185.13249	7.5
187.11227	1.2
187.14798	11.5
189.03899	2.8
189.09044	1.4
189.12744	1.6
189.16356	7.4
191.10684	2.6
191.14255	1.5
191.17914	7.4
193.19460	0.9
195.11726	1.3
197.13228	3.5
199.14781	4.4
201.12718	2.1
201.16331	8.4
203.10651	1.5
203.14317	2.1
203.17891	7.5
205.12225	1.1
205.15865	1.1
205.19566	1.2
206.98767	0.6
207.13708	1.3
207.17403	2.2
209.13312	1.1
211.14822	2.9
213.03905	9.3
213.12689	1.4
213.16293	4.3
215.10829	0.7
215.14366	1.8
215.17915	3.5
217.12308	0.9
217.15912	1.3
217.19511	2.2
219.06439	0.7
219.13795	1.7
221.15265	1.1
223.14726	1.4
225.16344	2.2
227.14326	1.4
227.17891	3.3
229.15863	2.6
229.19495	2.4
229.80324	0.7
231.04948	27.1
231.13718	3.0
231.17345	1.2
231.21107	0.8
233.15314	2.5
235.16826	0.9
237.07469	3.1
237.16347	0.9
239.17905	2.0
241.15955	1.0
241.19504	2.4
243.13852	0.6
243.17297	0.8
243.21046	3.3
245.15341	2.6
247.16826	4.9
249.06004	13.1
251.17953	1.0
253.07024	1.2
253.19347	1.9
255.08595	2.5
255.21082	2.2
257.15250	0.6
257.18958	0.7
259.16858	1.7
263.17960	0.7
267.21082	1.1
269.22607	2.0
271.08130	1.5
271.16971	0.7
271.20398	0.7
273.06268	1.2
273.09555	1.2
273.18484	1.1
273.22375	0.6
279.20938	1.4
281.22632	1.8
283.20428	1.1
283.24112	1.9
285.18417	0.8
293.22632	1.7
295.20929	0.9
295.23932	2.7
295.39587	0.6
297.22177	1.2
297.25577	1.3
299.20111	1.2
299.23566	1.6
301.21713	1.8
307.24127	1.0
309.11682	1.3
309.25797	1.6
311.23624	1.5
313.21613	2.2
313.25204	3.0
315.10797	1.7
315.23090	3.9
323.27179	1.4
327.26727	0.7
331.26346	1.0
339.26862	0.8
341.08682	2.5
351.26791	1.5
355.26138	1.1
357.24075	2.6
359.09668	1.7
363.26773	0.6
369.27823	14.4
370.28427	0.8
373.27292	2.3
375.09122	1.4
377.10873	1.5
377.31885	2.3
381.27802	2.3
387.28781	3.9
391.28418	3.6
391.33484	1.7
393.10181	2.3
395.11884	0.8
395.33054	2.9
399.28979	2.3
401.32010	1.9
405.30344	0.9
407.33127	2.6
409.34573	7.5
411.11264	0.9
417.30054	1.3
419.33057	9.8
421.34741	0.9
425.34039	3.4
437.34076	41.5
438.34439	2.9
439.35654	2.3
455.35132	63.2
456.35229	3.6
457.36948	1.3
473.36179	100.0
474.36679	5.2
617.40240	1.8
635.41333	3.0
763.45227	1.0
790.41821	0.7
865.45569	4.8
1011.50482	3.5
1029.54724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01336	3.3
71.04977	39.2
71.78934	0.5
73.02902	21.8
75.04459	4.3
79.05479	5.6
81.03401	4.3
81.07040	15.9
81.07526	0.6
83.04962	19.7
83.08604	2.3
85.02887	100.0
85.06527	0.6
86.06055	0.6
87.04436	2.8
88.48859	0.4
91.03938	0.7
91.05460	8.0
93.07024	11.8
95.04942	5.0
95.08585	16.7
97.02870	43.6
97.06529	2.3
97.10142	1.6
99.04438	4.0
101.02349	0.7
101.06024	0.7
103.03941	2.1
105.07004	11.0
107.04968	0.8
107.08569	24.3
109.02848	3.5
109.06488	2.5
109.10133	22.3
111.04416	18.2
111.08070	1.2
111.11704	0.7
113.02347	0.9
113.05994	1.4
115.03904	26.2
117.05497	0.8
117.07000	1.8
119.08554	13.3
119.09394	0.9
121.06470	1.6
121.09233	0.8
121.10117	16.1
123.04411	1.8
123.08060	2.4
123.11681	27.4
125.02370	0.5
125.05978	1.1
125.09596	1.8
127.03881	9.4
129.05450	32.5
129.07005	0.9
131.08536	4.8
133.04947	5.7
133.06487	0.5
133.10098	11.3
133.11110	0.6
135.04398	0.5
135.08034	1.8
135.11671	14.3
137.05942	1.3
137.09567	1.0
137.13214	4.2
139.03918	2.5
139.07521	1.0
139.11174	0.9
141.05444	0.6
142.07774	0.6
143.03363	0.6
143.08516	2.8
145.04936	8.2
145.06540	0.7
145.10114	8.3
147.04509	0.8
147.06490	14.7
147.07864	0.6
147.08089	0.8
147.11652	8.5
149.04456	0.8
149.05995	0.5
149.09605	1.0
149.13208	5.4
151.03867	0.7
151.07475	1.1
151.11159	1.0
153.05415	1.2
153.09087	0.5
155.07103	0.6
155.08531	1.2
157.04926	1.7
157.10109	4.8
159.08028	1.5
159.11658	7.6
161.09627	1.4
161.13228	6.3
163.03897	0.7
163.05969	2.3
163.07565	1.2
163.11169	1.3
163.14764	4.7
165.05405	0.9
165.07639	1.0
165.09094	1.1
167.10687	0.6
168.09140	0.4
168.98764	0.4
169.04901	2.2
169.10089	1.6
170.10757	0.4
171.06540	2.9
171.11687	2.9
172.12491	0.5
173.08075	2.3
173.09627	2.1
173.13214	5.0
175.11171	1.4
175.14793	4.0
177.05571	0.7
177.09059	1.0
177.12753	1.0
177.16306	2.1
179.07043	0.5
179.10649	1.0
179.14281	0.8
181.04860	0.8
181.10138	0.7
183.06491	0.8
183.11662	1.7
185.13185	2.9
187.05977	0.9
187.09637	2.3
187.11140	0.8
187.14769	6.0
189.07549	0.5
189.09094	0.5
189.16341	5.8
191.10693	1.4
191.14333	0.6
191.17918	5.2
193.04971	0.7
193.12254	0.8
195.06494	1.0
195.11696	0.5
197.13234	1.4
199.06021	1.4
199.11134	0.7
199.14789	2.3
201.12717	1.0
201.16351	4.6
203.10719	0.9
203.14293	1.2
203.17911	4.9
205.12102	0.6
205.15868	0.6
207.06537	1.0
207.17496	1.3
209.13306	0.8
211.06052	1.4
211.11179	0.5
211.14816	1.4
213.07587	0.7
213.12750	0.8
213.16200	2.1
215.14349	0.8
215.17966	1.9
217.07114	1.3
217.12163	0.6
217.19534	1.6
219.13734	0.8
221.15300	0.9
221.18901	0.6
223.06042	1.6
223.14790	1.0
225.07521	12.9
225.09691	0.7
225.16354	1.1
227.14288	0.9
227.17961	1.4
229.07094	1.6
229.15854	1.7
229.19449	1.1
231.04959	0.6
231.08586	0.7
231.13843	0.9
233.15393	1.4
237.07436	0.6
237.16396	0.7
239.17911	0.6
241.06924	2.2
241.15916	0.6
241.19553	1.3
243.08598	9.6
243.17468	0.4
243.20988	0.7
245.15334	1.2
247.08121	1.0
247.16919	5.0
251.18050	0.5
253.19498	1.2
255.08641	1.9
255.21030	1.7
259.08035	2.6
259.17065	0.8
261.09656	4.3
265.09073	2.8
267.20807	0.6
269.22662	0.8
270.38892	0.4
271.20413	0.8
273.09558	2.4
277.08926	0.5
277.19461	0.5
279.10690	20.1
279.13779	1.0
279.21005	1.0
280.11295	0.5
281.22610	0.8
283.20587	0.5
283.24384	0.4
295.10147	2.8
295.20276	0.7
297.22034	0.8
299.19907	0.5
301.21692	1.0
309.11777	3.2
311.20099	0.5
313.21613	1.2
315.23175	3.1
327.23248	0.5
351.26968	0.5
363.26743	0.7
367.26205	0.6
369.27878	4.0
373.27423	0.5
377.31839	1.0
381.27750	1.2
387.29105	1.6
391.33603	1.0
395.33185	1.4
397.31314	0.5
399.28839	0.6
401.31570	2.6
409.34561	3.0
419.32925	6.0
435.32477	0.6
437.34073	25.4
438.34384	0.7
441.29694	3.7
449.34116	0.6
452.84470	0.4
453.34198	2.2
455.35123	79.6
456.35693	2.1
467.35156	2.8
471.34619	1.3
473.35336	0.5
479.35123	1.6
491.35196	0.7
497.36115	1.7
507.34677	0.8
509.36209	2.3
515.34827	0.5
521.36108	0.9
529.37274	0.6
533.36279	3.6
539.37170	0.5
547.37854	4.7
551.37231	5.0
555.39740	0.4
565.38831	5.4
566.39246	0.5
569.38586	1.4
583.39789	1.0
587.39343	11.4
588.39563	0.6
601.40637	0.8
617.39001	0.6
639.38898	0.5
679.41418	0.8
697.42548	0.6
733.44775	1.1
749.44507	0.6
1009.52472	1.6
1027.53772	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	1018.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01349	2.2
71.04977	8.1
73.02908	2.5
77.03910	1.5
79.05480	80.1
80.05792	1.3
80.31961	0.7
81.03407	20.1
81.07041	100.0
83.04968	15.2
83.08603	23.4
85.02894	12.6
85.06527	5.1
87.04462	1.0
91.03949	3.6
91.05466	67.3
92.05807	1.0
92.97562	0.7
93.03436	0.7
93.07026	75.2
94.07344	1.1
95.01316	1.3
95.04949	21.5
95.08588	47.6
96.01135	0.5
96.08893	1.0
96.48661	0.7
97.02879	9.5
97.06508	21.7
97.09552	1.4
97.10153	21.6
98.20637	1.3
99.04435	2.8
99.08073	3.6
101.02338	0.9
103.03947	1.2
103.05465	2.5
104.06261	0.9
105.04505	1.8
105.07014	65.5
107.04939	18.2
107.08572	59.4
108.08896	0.8
109.02872	4.6
109.06491	11.2
109.09383	1.2
109.10136	24.1
111.04440	1.8
111.08066	8.3
113.05972	0.8
113.09663	2.1
115.05422	3.9
116.06231	1.1
117.06998	26.7
119.04966	1.0
119.08562	44.6
120.05697	0.8
121.06496	8.4
121.10122	25.2
122.10455	0.8
123.04443	1.7
123.08054	6.9
123.11678	6.3
125.08686	0.8
125.09605	17.6
127.03903	8.0
127.07551	1.4
128.06218	2.4
129.05516	2.9
129.06976	12.6
130.07773	2.4
131.04924	1.0
131.08539	32.8
133.06488	4.5
133.10107	37.5
135.04381	0.7
135.08029	9.6
135.11670	21.6
137.09578	5.2
137.13271	1.0
139.07509	1.0
139.11192	1.7
141.06953	5.3
142.07758	1.8
143.08551	13.3
144.09306	1.2
145.04984	1.5
145.06435	4.0
145.08948	1.6
145.10097	31.6
146.10861	0.7
147.08060	3.6
147.11661	22.3
147.12851	1.2
149.09592	24.1
149.13234	13.0
151.11128	4.6
153.06987	0.8
153.09079	2.7
153.12654	0.8
154.07767	1.0
155.08540	5.8
155.10545	0.7
156.09306	1.1
157.06569	0.8
157.10112	11.1
159.08072	2.3
159.10338	1.3
159.11671	24.0
161.09579	3.2
161.13249	9.5
163.06058	0.7
163.07454	0.7
163.11156	17.1
163.14821	1.1
165.07002	0.8
165.09123	1.9
165.12787	1.8
167.08572	2.2
168.09334	1.1
169.10077	6.5
171.08073	1.6
171.10165	1.9
171.11627	9.2
173.04463	4.8
173.09639	2.0
173.11732	1.7
173.13182	9.1
175.11089	4.0
175.14902	2.0
177.12717	7.7
179.10771	1.1
179.14294	5.6
180.09369	1.0
181.10118	2.6
181.12224	2.2
182.10977	0.9
183.11678	7.1
185.09628	1.6
185.13211	4.6
187.11156	3.7
187.13322	0.8
187.14836	2.6
189.11215	12.0
189.12749	2.3
189.16324	1.0
191.14264	1.0
193.10168	1.4
193.12097	1.1
195.11713	3.6
195.13820	6.7
197.09660	0.7
197.13213	5.1
199.11246	1.4
199.14841	2.4
201.12796	1.9
201.16377	1.3
203.14343	0.8
205.12395	1.4
205.16095	0.8
207.11784	1.4
207.13759	0.8
209.13316	2.2
209.15240	0.8
211.14815	2.4
213.12808	0.8
213.14685	1.3
213.16528	1.4
215.14293	1.5
215.17946	0.7
217.15749	1.5
219.13774	1.3
221.13278	1.1
223.14839	1.6
225.16386	0.9
227.12720	25.7
227.17941	2.0
228.13191	0.7
229.14171	6.3
229.19508	3.8
231.13864	1.3
233.15372	1.9
233.19026	0.8
235.14844	0.9
235.17004	1.0
237.16449	0.8
239.17976	5.9
245.13835	4.0
245.18933	1.3
247.20529	3.2
251.16452	2.2
253.14340	1.8
253.18036	2.3
255.15784	11.7
257.18967	17.9
259.20563	1.8
261.14743	1.6
261.18613	0.8
267.15707	3.8
269.17429	38.7
273.15302	0.8
273.18549	2.0
275.20029	71.7
276.20462	1.5
277.21808	0.9
279.15756	1.2
283.20581	0.9
285.17276	0.9
287.16693	0.7
287.20032	1.1
291.19388	1.0
293.17932	1.1
293.21024	6.2
295.20694	0.7
299.20239	0.7
301.21841	1.0
303.16010	1.1
307.20441	0.8
313.21619	2.4
317.21237	1.0
321.24512	1.2
327.23218	0.8
331.22614	7.2
335.18280	0.8
339.18216	1.0
339.23111	0.9
347.22073	0.7
349.23688	72.8
350.24121	1.9
351.25586	1.0
353.24942	1.0
355.26395	1.0
357.24170	0.9
365.23486	1.5
367.24847	6.4
371.17007	0.9
375.26016	0.8
375.57263	0.7
383.22113	1.1
389.18204	1.4
395.20786	1.0
397.21890	1.1
401.23267	1.0
409.25787	1.5
413.21585	3.6
415.29523	0.8
419.23981	1.0
419.29156	1.0
421.70853	0.7
423.27393	4.7
423.32422	1.2
425.25363	1.4
431.28125	2.6
433.30579	2.4
435.27557	2.8
439.26999	3.1
445.29562	4.5
447.30789	1.8
449.28967	18.1
449.61670	0.8
451.32120	2.6
463.30530	23.6
465.28244	0.8
469.33063	1.7
473.33499	0.7
479.29941	0.8
485.32654	1.0
487.34570	0.8
493.27524	1.3
499.34317	1.0
501.31302	0.9
503.33444	6.3
511.34387	2.2
513.37122	1.0
515.37494	1.7
519.33319	5.3
521.34802	1.0
525.35706	7.5
527.37592	3.1
529.35297	18.5
530.35522	1.4
531.37793	1.2
543.36725	76.8
544.37317	3.6
547.36639	3.4
549.38910	0.8
559.35742	0.9
561.37689	11.1
565.29865	0.9
583.39746	1.3
585.37799	0.7
589.34088	0.8
593.33337	1.7
595.43604	1.5
605.41620	3.5
607.34521	3.6
623.43018	31.1
624.42902	2.0
641.44086	14.8
651.38477	1.1
659.45154	1.5
663.37189	1.9
669.39874	1.1
683.46094	0.7
687.41022	5.1
705.41949	2.6
749.45874	0.7
767.47137	1.6
785.48090	1.9
803.48975	1.1
941.53381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	1.3
71.04972	6.9
71.08619	0.8
71.78949	0.9
73.02892	2.6
77.03918	1.5
79.05479	75.3
80.05798	1.0
81.03403	16.7
81.03863	0.9
81.07041	100.0
82.07368	0.6
83.04968	14.6
83.05461	0.9
83.08605	19.5
85.02890	9.8
85.06537	5.7
85.95394	0.5
86.09686	1.2
87.04460	1.2
91.03939	3.7
91.05463	66.3
92.05764	0.8
93.07027	78.3
94.07347	0.9
95.01314	0.6
95.04952	17.9
95.08588	44.0
97.02873	8.7
97.06513	22.3
97.07140	0.7
97.10154	15.2
97.10780	0.9
99.04436	3.5
99.08077	4.2
101.02349	0.7
103.05457	2.7
105.04510	1.5
105.07012	59.4
107.04944	15.9
107.08573	53.7
108.08873	0.8
109.02870	4.2
109.06499	9.3
109.10135	22.8
111.04416	2.1
111.08070	9.7
111.11694	0.9
113.05973	0.8
113.09632	2.6
115.03909	0.6
115.05418	3.9
116.06220	0.8
117.06995	26.7
119.04948	0.9
119.08559	42.6
120.46246	0.6
121.06487	9.1
121.10124	25.1
123.04414	2.0
123.08050	6.3
123.11683	6.8
125.06024	1.0
125.09605	13.8
125.10467	1.0
127.03881	5.6
127.07546	0.8
128.06218	2.4
129.05461	1.9
129.06984	11.2
130.07764	2.4
131.04904	0.7
131.08543	32.5
133.06488	3.0
133.10106	36.8
134.10506	0.8
135.08037	9.4
135.11665	23.8
137.05960	0.8
137.09604	5.3
139.07509	1.1
139.11159	2.3
141.06941	3.5
142.07758	2.0
143.08527	11.3
144.09317	1.3
145.04953	1.6
145.06438	3.3
145.10100	27.1
147.04408	1.0
147.08054	4.2
147.11661	20.5
149.05986	0.6
149.09592	20.1
149.13226	19.5
150.13594	0.7
151.11192	4.1
153.07069	0.8
153.09088	2.4
155.08533	7.0
156.09396	0.7
157.06476	0.9
157.10097	10.4
158.10765	0.8
159.08060	2.2
159.11668	23.0
161.06009	0.8
161.09610	3.5
161.13211	7.5
163.05968	1.3
163.11150	13.8
163.14786	1.1
165.06949	0.8
165.09111	1.6
165.12735	2.4
167.08600	1.6
167.10629	0.5
168.09323	1.4
169.10092	6.6
171.08083	0.9
171.10179	1.7
171.11630	8.7
173.04454	5.2
173.09602	1.7
173.11736	1.7
173.13196	9.2
175.11150	3.6
175.14798	1.7
177.09073	0.6
177.12729	7.7
179.08501	0.7
179.10675	0.8
179.14297	5.2
181.10138	2.1
181.12231	2.1
182.10950	0.6
183.11662	7.6
185.09587	0.7
185.13228	5.5
187.11218	3.0
187.14752	2.9
189.11212	6.9
189.12735	1.5
189.16435	0.8
191.10477	0.6
191.14267	1.0
193.10239	1.1
193.12207	1.4
195.11711	2.8
195.13802	7.8
197.09605	0.9
197.13213	5.1
199.11284	1.0
199.14865	2.2
201.12671	2.8
201.16431	1.1
203.10576	0.7
203.14340	1.2
205.12189	1.1
205.15961	1.0
207.11707	1.2
207.13737	1.1
209.13301	2.5
211.14816	2.1
213.12830	1.4
213.14647	1.1
213.16426	1.7
215.14287	0.9
215.17860	1.1
217.15845	1.3
219.13756	1.1
223.14833	1.0
227.12717	19.4
227.18019	1.1
229.12350	1.2
229.14084	3.3
229.19528	3.8
233.15399	1.5
233.19016	1.0
235.14835	0.9
235.16995	1.1
239.14444	0.8
239.17984	4.5
240.18250	0.7
243.15884	0.8
245.13853	2.2
247.20493	3.1
251.16441	2.3
253.14325	2.1
253.17905	1.3
255.15845	15.4
257.15024	0.8
257.18967	14.3
259.20639	1.7
261.14813	0.8
265.14539	0.6
267.15955	4.9
269.17419	53.3
270.17789	1.2
271.20450	0.7
273.18527	1.6
275.20016	58.2
276.20285	1.4
291.19571	1.6
293.17587	1.5
293.21118	5.2
297.16953	0.7
299.20087	1.4
299.23560	0.9
301.21594	0.9
313.21741	1.0
321.16925	1.0
321.24124	1.6
331.22537	5.2
333.24152	0.8
335.23584	0.8
338.25070	0.7
339.18069	1.8
339.23187	1.0
347.22247	0.9
349.23682	58.5
350.24072	1.6
351.25351	1.1
353.24747	1.0
365.23132	0.9
367.24829	8.6
373.23785	0.6
377.19333	0.7
381.27542	0.6
383.22089	0.7
389.18112	1.0
389.27057	0.7
395.20288	1.3
409.25781	1.5
413.21634	2.7
419.24161	1.1
423.27414	5.0
425.25537	0.9
431.27933	2.1
433.30646	1.9
435.27060	2.7
439.26944	3.4
445.29376	3.5
447.30981	2.2
449.28925	27.2
450.29425	1.1
451.32034	2.8
463.30481	41.7
464.30899	1.5
469.33078	1.7
475.26697	0.7
479.30472	0.8
487.35159	0.8
493.27890	1.4
499.33316	1.1
503.33640	3.9
507.34546	1.0
511.33954	2.3
513.36310	0.9
515.37225	2.0
519.33136	2.6
525.35736	9.8
526.36029	0.9
527.37384	1.4
529.35266	16.1
541.35327	0.9
543.36737	87.7
544.37103	4.3
547.36218	3.5
559.36243	1.3
561.37811	13.5
583.30756	1.4
589.33228	0.9
593.33118	1.6
595.43573	1.4
605.41895	2.3
607.34662	6.1
609.36951	0.8
623.42987	17.1
624.43512	1.3
641.44067	9.8
651.39014	0.8
665.41138	0.6
669.40210	1.4
676.43628	1.0
687.40961	5.9
705.41736	3.7
767.46661	0.9
785.47455	1.3
1018.58942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43087	0.8
71.01354	1.2
71.04988	4.8
71.79568	0.6
71.79956	0.8
73.02903	4.9
74.23948	0.6
77.03902	0.7
79.05479	46.4
81.03407	11.3
81.07042	63.6
83.04962	8.1
83.08604	14.6
85.02890	22.3
85.06509	3.5
87.04449	5.0
88.41605	0.7
91.03943	8.1
91.05464	30.3
93.07029	48.9
95.04955	10.1
95.08592	44.9
96.04467	0.9
97.02875	12.6
97.06513	6.5
97.10147	13.5
99.04462	1.3
99.08054	1.8
103.03925	1.3
103.05426	1.0
103.30405	0.9
105.04493	1.0
105.07011	16.9
107.04928	4.0
107.08575	34.4
109.06513	4.2
109.10139	65.7
110.10477	1.1
111.04407	1.7
111.08064	4.7
113.08748	0.7
115.05431	1.2
117.06995	8.0
119.08561	20.5
121.06489	1.5
121.10118	21.4
121.10960	1.4
123.08036	2.9
123.11696	6.0
125.09604	14.6
127.03860	4.4
129.05499	2.2
129.06955	2.5
130.07796	1.1
130.41403	0.7
131.08562	13.1
133.10115	10.5
135.08061	1.7
135.11668	14.8
137.09572	4.9
137.13188	2.0
139.11165	1.8
141.06967	0.8
143.08519	1.5
143.10638	2.3
145.04897	4.3
145.06494	1.1
145.10104	12.1
147.08063	1.1
147.11646	8.3
149.09619	2.3
149.13228	8.5
151.11119	0.9
153.12733	2.2
155.08492	1.0
155.10661	2.7
157.10022	2.1
159.11668	7.1
161.13252	5.9
163.06033	4.1
163.11148	7.4
163.14810	4.0
165.08972	0.8
165.12750	1.5
169.10088	1.1
171.11653	2.1
173.09563	1.3
173.11719	19.8
173.13245	5.0
175.14804	2.6
177.12665	1.2
177.16420	1.6
181.12204	2.1
183.11644	1.3
185.13220	2.2
187.14819	2.9
189.11154	1.8
191.10658	3.1
193.12241	2.5
199.13242	6.8
205.15961	1.0
209.11690	4.6
211.13159	1.4
215.17978	1.3
217.14339	2.5
227.12749	9.8
229.14310	55.2
230.14674	0.9
231.20895	0.8
233.22629	1.2
241.19455	0.7
243.21019	6.2
245.13834	2.2
257.13708	3.6
259.20480	2.9
261.22089	20.7
267.15878	7.0
271.20663	0.9
277.21579	1.5
283.15341	2.6
285.16965	1.1
287.23611	1.1
289.21545	0.9
297.22116	1.0
299.23932	1.3
301.16428	19.6
301.21515	0.9
309.22037	1.0
315.23166	1.7
317.24661	3.4
317.28198	0.7
327.23123	1.7
333.24139	1.3
335.25754	100.0
336.26218	2.9
363.25494	0.8
389.26630	0.9
399.23758	17.3
399.28543	0.7
414.72437	0.7
459.34393	1.0
469.32806	1.1
477.35797	8.4
489.35687	30.6
490.36099	1.6
505.34781	0.8
506.36157	0.9
507.36392	1.1
525.36078	1.6
543.36713	5.6
545.38379	0.8
561.37854	13.2
562.38171	1.3
579.38892	7.0
659.45099	43.0
660.44781	2.2
819.00568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01337	1.9
71.04987	5.0
71.08620	0.9
71.80862	1.5
71.81247	1.0
73.02904	5.3
77.03916	1.1
77.85918	0.9
79.05016	1.7
79.05482	48.1
81.03397	9.9
81.07044	61.9
83.04975	8.1
83.08604	16.7
85.02892	26.4
85.06526	3.9
87.04440	4.6
91.03946	9.3
91.05466	31.3
92.05779	1.1
92.84389	1.1
93.07027	50.0
95.04960	8.9
95.08593	45.6
97.02859	9.8
97.06517	5.7
97.10152	16.7
99.04444	1.7
99.08093	1.9
103.03942	1.5
103.05444	1.2
105.04461	1.4
105.07021	18.4
107.04923	3.9
107.08575	29.7
109.06525	4.8
109.10139	70.0
111.04424	2.1
111.08058	5.3
111.11679	1.5
115.03875	1.4
117.07005	9.7
119.08553	19.6
121.06476	1.8
121.10123	24.1
123.08066	3.0
123.11697	6.4
125.09609	16.3
127.03911	5.5
128.06166	1.4
129.05458	2.5
129.06989	2.8
131.08542	13.7
133.06358	0.9
133.10112	12.8
135.08060	2.0
135.11673	13.6
137.09579	4.7
137.13190	2.4
139.11130	2.1
143.08551	2.3
143.10629	2.4
145.04929	3.6
145.10103	13.1
147.08026	1.1
147.11661	6.0
149.09517	1.3
149.13235	10.4
151.11174	1.5
153.12715	2.9
155.10657	3.4
157.08656	1.3
157.10074	2.7
159.11676	7.3
161.13220	5.0
163.06052	4.8
163.11128	9.9
163.14806	2.9
171.11664	3.1
173.09511	1.8
173.11717	19.1
173.13251	6.5
175.11130	1.2
175.14786	2.7
177.12703	1.4
181.12239	2.8
183.11667	1.8
185.11610	1.4
185.13173	1.6
187.14799	3.5
189.11238	2.4
191.10611	2.2
193.12231	2.8
197.13248	1.7
199.13255	5.8
199.14862	1.8
201.16455	1.7
209.11772	6.4
211.13219	2.3
212.22519	1.2
215.17818	1.3
217.14203	2.2
227.12682	10.6
229.14311	65.1
243.21057	6.8
245.13864	1.8
259.20529	1.7
261.22137	21.7
262.22565	1.2
267.15802	6.2
271.20651	1.2
277.21631	2.1
283.15338	4.2
285.17068	1.3
297.22073	2.0
299.23618	1.3
301.16391	23.7
309.22067	1.2
315.23154	2.2
317.24658	4.2
327.23007	2.1
333.24152	1.2
335.25766	100.0
336.26111	1.8
363.25049	2.2
389.26819	2.1
399.23730	23.6
415.31757	1.2
436.52280	1.2
448.55295	1.0
451.32114	1.3
477.35687	8.4
489.35718	23.9
507.36765	2.6
517.34650	1.3
543.36804	8.5
545.37543	1.7
561.37695	11.4
579.38995	5.3
659.45093	40.0
660.44843	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	1017.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01340	0.4
71.04982	8.6
73.02903	1.0
73.06533	0.2
75.04496	0.6
75.04845	0.1
79.05472	2.0
81.03403	3.4
81.07042	6.2
83.01316	0.1
83.04576	0.1
83.04963	3.7
83.08606	1.4
85.02889	18.6
85.06546	0.6
86.79942	0.1
87.00813	2.4
87.04445	0.5
91.03974	0.1
91.05457	2.7
93.07026	6.3
95.04948	1.4
95.08588	8.8
97.02874	8.6
97.06522	0.8
97.10152	0.8
98.21360	0.2
99.04437	2.0
99.08060	0.8
103.03922	0.5
103.05444	0.3
105.01845	3.6
105.02566	0.2
105.07010	4.3
105.97443	0.1
107.04950	0.3
107.08572	9.2
109.02854	4.0
109.06504	0.8
109.10135	9.0
111.04420	3.1
111.08058	0.7
111.11713	0.2
113.02313	0.2
113.06010	0.3
113.09621	0.3
114.09212	0.1
115.03905	1.9
117.01778	0.2
117.07001	0.6
119.04928	0.4
119.07845	0.1
119.08558	7.4
121.06509	0.7
121.10124	8.7
122.05940	0.1
123.04427	0.3
123.08037	0.7
123.11684	6.0
125.06013	0.2
125.09605	2.5
125.41692	0.1
127.03893	7.2
127.07556	0.2
127.11187	1.8
128.06184	0.1
129.01826	0.4
129.05453	3.7
129.06996	0.3
130.07739	0.1
131.04918	0.1
131.08539	1.9
133.04958	0.3
133.06494	0.4
133.10103	7.5
134.10495	0.1
135.04399	0.3
135.08041	0.8
135.11668	8.8
136.12009	0.3
137.05919	0.4
137.09615	0.7
137.10497	0.1
137.13234	2.0
139.03889	0.5
139.07526	0.2
139.11172	0.6
141.06992	0.1
141.12671	0.7
142.07770	0.3
143.08560	1.1
143.10654	3.2
145.02760	0.2
145.04932	2.8
145.10101	3.8
147.02951	0.3
147.04388	1.2
147.06505	1.3
147.07935	0.7
147.11658	5.2
148.11977	0.2
149.05901	0.1
149.09590	1.0
149.13240	3.0
151.03879	0.2
151.07523	0.3
151.11150	0.4
151.14801	0.2
153.01848	0.1
153.05466	0.2
153.09091	0.4
153.12691	0.6
155.08572	0.3
156.09344	0.2
157.05016	0.2
157.10106	1.8
158.10858	0.2
159.02858	1.2
159.08037	0.4
159.11665	3.5
160.12320	0.2
161.05974	0.1
161.09612	0.9
161.13228	4.0
163.03918	0.1
163.07516	0.2
163.11177	0.6
163.14795	2.3
165.05525	0.3
165.07619	0.1
165.09059	0.3
165.12740	0.4
167.07019	0.2
167.10689	0.2
167.14409	0.2
169.04994	0.4
169.10130	0.7
171.06618	0.2
171.08067	0.2
171.11665	1.8
172.12416	0.1
173.09634	0.4
173.13214	3.1
175.03870	0.3
175.07489	0.2
175.11234	0.7
175.14789	2.4
177.03905	0.1
177.05449	0.4
177.09149	0.2
177.12715	0.6
177.16347	1.5
179.07066	0.2
179.08627	0.1
179.10649	0.5
179.14236	0.6
181.04913	0.3
181.12349	0.1
183.11690	0.8
185.09607	0.2
185.13252	1.9
187.06073	0.2
187.11211	0.5
187.14801	2.8
189.03917	0.4
189.12721	0.6
189.16336	2.5
191.06992	0.1
191.10660	0.3
191.14278	0.5
191.17926	1.7
193.12234	0.2
193.15836	0.2
195.11717	0.2
197.13237	1.0
199.06068	0.1
199.11105	0.2
199.14767	1.4
201.12659	0.4
201.16359	2.4
203.14317	0.4
203.17918	2.8
203.19785	0.1
205.12152	0.2
205.15840	0.4
205.19437	0.1
207.06418	0.3
207.13765	0.2
207.17424	0.2
209.13266	0.3
211.14796	0.8
213.03955	0.9
213.12810	0.2
213.16348	1.4
215.14413	0.6
215.17911	1.0
217.12228	0.3
217.15930	0.5
217.19496	0.9
219.13828	0.3
219.17499	0.4
221.15346	0.2
223.06100	0.4
223.14761	0.4
225.07574	0.9
225.16426	0.4
227.14270	0.2
227.17953	0.5
229.15842	0.6
229.19534	0.5
231.02795	0.1
231.04941	2.4
231.08443	0.2
231.13795	0.3
231.17398	0.4
233.15413	0.7
233.18912	0.3
235.16968	0.4
236.58427	0.1
237.07524	0.5
237.16472	0.2
237.18506	0.1
239.17976	0.5
241.06998	0.2
241.15898	0.3
241.19400	0.7
243.08626	0.8
243.17378	0.3
243.21109	0.4
245.15442	0.5
245.18938	0.2
247.16916	1.0
249.06007	1.0
249.18466	0.2
251.17902	0.3
253.19485	0.4
255.08763	0.2
255.17436	0.3
255.21011	0.8
257.18976	0.4
257.22772	0.2
259.16840	0.2
259.20462	0.7
261.09656	0.4
261.18445	0.3
261.22092	0.2
265.19678	0.2
267.21088	0.4
269.22638	0.5
271.20505	0.2
273.05954	0.6
273.18436	0.3
273.22113	0.8
275.20166	0.3
277.19449	0.1
279.10709	1.5
279.20953	0.4
281.22690	0.2
283.20633	0.3
285.12436	0.1
285.22186	0.5
287.20206	0.2
287.23572	0.3
289.21591	0.3
295.20288	0.2
297.22116	0.5
299.23624	0.4
301.21628	0.6
303.23193	0.4
309.22327	0.2
309.25772	0.3
311.23816	0.3
313.21698	0.2
313.25153	0.2
315.10733	0.2
315.23230	1.2
325.25235	0.2
327.07098	0.2
327.23108	0.1
327.26645	0.2
329.24628	0.2
333.25388	0.2
339.26730	0.3
341.08621	0.2
341.24698	0.3
345.08337	0.3
349.28860	0.2
351.26709	0.2
359.10074	0.3
363.08981	0.3
367.30280	0.2
369.27933	0.2
377.32077	0.2
387.28964	0.2
391.33423	0.1
395.29449	0.1
395.33151	1.3
409.34616	1.0
413.33997	0.2
419.32962	1.1
425.33881	0.2
427.35565	0.2
437.34052	4.7
438.34421	0.2
453.33603	0.2
455.35132	17.3
456.35760	0.6
471.34451	0.3
473.36176	100.0
474.36603	3.2
474.42749	0.1
489.35565	0.4
491.37234	21.2
492.37570	0.6
575.35645	0.8
587.38837	0.1
605.40295	1.3
623.41400	1.9
637.42548	0.5
751.45978	0.4
946.21179	0.2
1017.54816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01315	0.7
71.79024	0.4
73.02858	1.4
74.09688	0.3
77.03870	0.6
79.05477	40.8
80.05778	0.4
81.03398	11.1
81.07039	43.2
82.07365	0.5
83.04962	7.3
83.08603	12.9
85.02887	4.3
85.06532	2.5
85.49281	0.3
87.04404	0.7
87.08047	0.4
91.03949	1.8
91.05461	34.6
92.05740	0.5
93.07024	35.2
95.01298	1.7
95.04950	15.3
95.05846	0.4
95.08588	20.0
97.02869	10.8
97.06513	10.6
97.10147	18.3
97.36031	0.3
97.68788	0.3
99.04388	1.3
99.08018	1.5
101.05977	0.5
101.09596	0.3
103.05462	1.7
104.06195	0.4
105.03339	0.4
105.04459	1.0
105.07011	28.0
106.07281	0.5
107.04935	12.9
107.08574	29.2
108.05702	0.7
109.02850	2.3
109.06496	5.4
109.09402	0.7
109.10133	13.5
111.04380	1.0
111.08057	3.9
113.05965	0.6
113.09550	0.9
115.05431	2.0
116.04800	0.3
116.06191	0.8
117.06994	14.8
119.04867	1.5
119.08559	21.9
120.05692	0.6
121.06496	5.2
121.10118	12.0
123.04369	0.8
123.07259	0.4
123.08051	5.0
123.11684	2.9
125.05934	0.5
125.09609	14.7
127.03889	2.8
128.06187	2.3
129.05458	0.7
129.06970	6.0
130.07712	1.5
131.04840	0.4
131.08539	17.3
132.05672	0.4
133.06464	3.5
133.10104	16.3
133.11115	0.8
134.07216	1.2
135.08023	6.0
135.11661	8.8
137.09599	3.9
139.07491	0.3
139.11128	0.7
141.06931	1.7
142.07710	1.4
143.08531	5.8
144.09248	0.7
145.04959	0.7
145.06424	1.4
145.10095	14.4
147.08025	6.2
147.10570	0.5
147.11658	8.2
149.08452	0.6
149.09584	9.7
149.13231	6.3
151.07487	0.5
151.11174	2.5
153.06978	0.4
153.09044	1.4
154.07686	0.6
155.08490	2.1
157.06422	0.5
157.10095	5.0
159.07973	1.4
159.11659	9.4
160.08524	0.4
161.05959	0.5
161.09619	3.2
161.13234	3.7
162.10352	0.7
163.11143	6.4
163.14787	0.5
165.06967	0.5
165.09088	2.1
165.12675	1.0
167.08478	0.7
169.10062	2.6
169.12183	1.0
171.07939	0.4
171.10100	1.6
171.11623	3.9
173.04436	1.6
173.09558	1.2
173.11659	1.0
173.13202	3.2
175.11157	2.9
175.14752	0.7
177.09015	0.3
177.12683	3.6
179.10625	0.8
179.14279	2.0
181.10048	0.9
181.12204	0.8
183.11653	1.8
183.13028	0.4
184.07269	0.4
185.09578	0.6
185.13193	1.8
187.11063	1.9
187.13187	0.6
187.14738	1.0
189.11198	7.6
189.12700	1.2
191.10619	0.6
191.14270	0.5
193.12259	1.8
195.11690	0.7
195.13718	2.8
197.13203	1.8
199.11168	1.1
199.14740	1.1
201.12674	1.1
203.14278	0.9
205.12178	2.8
207.11644	0.4
207.13704	0.5
209.13324	0.4
211.13179	0.6
211.14915	0.6
213.12769	0.8
213.14592	0.6
213.16394	0.6
215.14334	0.6
215.17821	0.5
217.15858	0.5
223.13237	20.1
224.13493	0.7
227.12726	18.5
227.17709	0.8
229.14275	1.0
229.19397	1.1
231.13762	0.5
231.17358	0.6
233.15266	0.8
239.17902	2.0
245.13727	1.1
245.19006	1.7
247.20517	1.6
249.14832	3.7
251.16348	0.8
253.14259	2.6
255.15710	4.5
257.16461	0.5
257.18985	6.4
261.14871	0.9
263.20154	0.6
265.14365	0.4
267.15912	2.5
269.17435	14.1
273.18433	15.5
275.20020	21.7
279.15817	0.5
283.15424	0.5
289.17825	0.4
290.18619	0.4
291.19485	100.0
291.73364	0.3
292.19818	1.8
293.17749	0.6
293.20993	1.8
297.21915	0.4
299.20081	0.4
309.20587	1.3
313.21750	0.5
321.24423	0.8
329.20901	0.8
331.22610	2.4
333.24570	0.4
347.22144	4.5
349.23669	24.7
350.23956	0.7
351.50726	0.4
365.23166	47.6
366.23349	1.1
367.24649	1.6
379.26605	0.3
389.18506	0.4
396.33206	0.4
397.22302	0.5
413.21844	1.2
419.24261	0.6
421.26147	0.4
423.24030	0.5
435.23734	0.7
443.28482	0.4
447.27530	0.4
461.28989	2.3
466.31793	0.4
467.31772	0.6
471.30176	0.4
479.29822	0.8
491.29697	0.5
493.27817	0.6
501.32355	0.6
517.31287	0.4
519.32996	4.1
523.34009	0.5
527.33600	0.6
535.32605	4.8
541.35181	5.8
543.36920	2.6
545.34607	13.8
555.37488	0.4
557.34326	1.0
559.36188	59.0
560.36548	1.8
571.36694	0.4
575.34991	0.5
577.37885	0.4
581.38690	0.4
583.36731	0.5
599.39740	0.6
611.42798	1.0
621.41278	3.8
639.42438	54.8
640.42242	1.7
657.43384	7.1
661.35553	0.6
663.37878	0.5
679.36688	1.5
685.39636	0.4
689.39075	0.4
703.40308	3.2
783.46344	1.1
801.47668	1.6
854.48340	0.5
1028.77112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05001	4.3
71.74496	0.7
72.03677	0.5
73.02864	1.0
76.79784	0.5
77.03912	0.6
77.91908	0.5
79.05476	44.2
81.02937	0.5
81.03398	11.1
81.07038	57.1
83.04498	0.7
83.04959	9.5
83.08598	15.5
85.02880	6.1
85.06521	2.9
87.04385	0.7
91.03918	1.0
91.05459	38.9
93.07023	44.3
94.94612	0.5
95.01263	1.0
95.04947	15.2
95.08587	22.3
97.02870	12.2
97.06509	11.0
97.10148	13.1
99.04392	1.5
99.08029	2.1
103.05441	0.7
105.04450	0.7
105.07007	34.3
107.04230	0.6
107.04933	12.2
107.08569	34.5
109.02897	2.4
109.06510	5.9
109.10130	18.9
110.10449	0.5
111.04368	2.1
111.08041	5.3
113.05947	0.7
115.05401	2.7
116.06182	0.7
117.01575	0.6
117.06995	14.0
119.04887	1.7
119.07729	1.1
119.08554	21.8
121.06464	5.7
121.10113	15.8
123.04368	1.6
123.08034	6.1
123.11679	4.1
125.05912	0.8
125.09602	13.2
127.03871	2.8
127.07541	1.0
128.06157	1.6
129.05441	1.1
129.06982	7.1
130.07742	1.4
131.04837	0.7
131.08534	18.5
133.06480	4.9
133.10098	24.1
133.11127	1.2
134.07207	1.1
135.08029	7.5
135.10742	0.8
135.11671	10.5
137.09573	4.3
139.07523	0.8
139.11118	0.7
141.06927	1.6
142.07732	1.6
143.08545	6.4
144.09195	0.5
145.04907	0.9
145.06407	2.2
145.08936	0.9
145.10085	15.0
147.08020	7.4
147.11658	8.2
149.09578	9.3
149.13229	7.4
151.07611	0.6
151.11142	6.4
152.04514	0.7
152.05638	8.1
153.04031	0.6
153.08994	1.0
153.12643	0.6
155.08485	2.1
157.06438	0.7
157.10089	5.5
159.07953	2.0
159.11662	10.0
161.09583	3.8
161.13242	3.3
162.10336	1.0
163.11145	7.7
163.97527	0.5
165.09065	2.0
165.12741	1.1
167.08514	0.6
168.09212	0.6
169.10060	2.3
169.12201	1.4
171.08012	0.9
171.10159	1.2
171.11633	3.5
173.04442	2.6
173.09610	0.7
173.11855	0.8
173.13216	3.6
175.07613	0.5
175.11205	4.1
175.14737	0.7
176.11925	0.7
177.09109	0.7
177.12718	4.4
179.10568	0.9
179.14235	1.3
181.10068	1.4
181.12195	0.7
183.11641	2.0
185.13155	2.4
185.48683	0.5
187.11227	1.2
187.14764	1.2
189.11150	5.3
189.12714	1.4
191.10567	0.7
191.14258	0.6
193.12209	1.8
195.11673	1.0
195.13756	4.5
197.13208	1.9
199.11081	0.8
199.14760	1.2
203.14355	1.1
205.12180	2.1
211.13161	1.0
211.14981	0.7
213.16431	0.9
217.12433	0.5
217.15883	0.7
223.13225	17.7
227.12715	11.4
227.17804	0.6
229.14171	1.0
229.19463	1.2
231.17397	0.7
239.17963	1.5
245.13669	0.9
245.18967	3.1
247.20551	1.3
249.14809	3.1
251.16365	1.1
253.14302	10.8
255.15565	5.1
257.19009	4.2
259.20609	0.6
261.14722	0.8
263.20053	1.2
267.15930	3.0
269.17429	27.2
273.15283	0.6
273.18442	18.4
275.20016	18.5
285.17136	0.7
286.96063	0.6
291.19482	97.3
292.19760	1.5
293.17749	0.7
293.20999	2.2
297.16931	0.5
298.84470	0.6
303.15833	0.6
309.20517	1.7
315.22836	0.7
321.24304	0.8
331.22482	1.3
339.18185	0.7
347.22037	5.1
349.23669	17.2
365.23169	49.3
366.23441	0.8
367.24771	1.8
395.21115	0.7
413.21661	1.9
423.23889	0.6
447.27454	1.1
449.29889	1.0
461.28824	2.5
465.28552	1.1
467.31201	0.7
477.28131	0.7
479.29828	1.3
501.31885	1.0
519.32910	2.7
527.33435	1.6
535.32477	1.2
541.35046	6.7
543.36951	0.6
545.34625	21.3
546.35065	0.9
559.36200	100.0
560.36597	3.4
575.35547	0.6
577.37085	1.2
583.36469	0.9
621.41492	3.3
623.34180	0.7
639.42413	30.3
657.43481	7.8
685.39392	0.6
692.45447	2.0
703.40576	3.7
783.46307	1.1
801.47705	1.0
854.50519	1.0
1016.57666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.489
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06571	1.2
71.04964	4.1
72.08152	1.4
79.05470	6.4
81.03386	3.1
81.07045	10.3
83.04943	2.2
83.08591	3.1
85.02877	2.7
85.06507	1.6
91.05466	8.2
93.07023	9.3
94.06545	6.1
95.04948	60.4
95.08585	6.2
97.02862	2.3
97.06512	2.4
98.21433	2.0
99.03979	0.6
99.04455	6.6
105.07007	10.8
106.06522	3.7
107.04986	1.4
107.07413	1.2
107.08569	12.6
108.08096	14.8
108.34204	0.7
109.02863	2.1
109.06499	6.5
109.10117	4.0
110.06023	1.3
111.08062	2.4
112.07574	1.1
114.09074	1.2
115.05485	0.8
117.06976	1.9
118.06517	1.0
119.08548	7.2
120.04427	1.3
120.08109	3.6
121.05180	0.7
121.06461	2.3
121.10117	10.0
122.06000	16.6
122.06824	1.3
122.09661	1.7
123.08048	9.2
123.11665	4.2
124.07559	1.4
127.03894	2.1
129.07004	1.1
131.08542	6.0
132.08049	1.2
133.10097	13.7
134.05992	2.9
134.09608	1.1
135.08022	13.8
135.11635	2.1
136.07541	7.1
137.05983	1.5
140.07037	17.0
143.08545	1.7
144.04349	1.3
145.02805	1.2
145.10080	4.7
146.05986	9.5
146.09583	1.2
147.04362	1.8
147.06670	0.7
147.11655	4.6
148.06430	1.3
148.07538	14.3
149.08113	0.8
149.09607	2.7
149.13220	4.0
150.09097	6.0
150.10263	1.4
151.07561	1.6
152.07002	5.0
153.09059	10.5
154.08598	1.4
158.10907	1.9
160.07524	2.1
161.09534	0.9
161.13174	1.5
162.05544	1.7
162.09140	3.7
163.03862	1.1
163.11136	5.9
164.07031	3.3
165.12724	3.3
166.08618	7.0
167.06985	1.6
172.03906	10.9
173.13222	9.1
174.05504	8.8
174.09087	1.3
175.14801	1.0
176.07031	11.2
177.05476	1.9
178.08636	1.0
180.10066	0.8
188.07098	0.9
189.12671	5.2
190.04944	3.0
190.08600	0.9
191.05681	1.4
191.14272	40.8
192.06474	2.5
192.10167	0.9
193.08702	0.7
198.11435	1.1
200.06961	1.2
202.08618	1.6
204.06528	15.0
206.08064	4.2
207.06517	1.1
207.08279	0.8
207.13776	10.9
208.09653	9.4
209.10643	1.2
209.15324	8.1
210.11552	2.1
211.08679	1.0
211.12199	4.3
213.13908	1.1
216.10176	1.2
218.07979	1.1
221.10556	1.4
222.11424	1.7
223.08807	1.1
223.12325	3.1
224.13016	1.6
225.10226	4.2
225.13681	3.9
226.10866	1.4
227.11749	4.2
229.13326	1.4
232.09796	0.9
234.11476	1.0
235.08585	1.7
235.12262	1.7
236.09355	0.9
237.10149	7.9
237.13831	2.9
238.10823	5.9
238.14574	1.0
239.09612	0.7
239.11740	18.2
240.10287	1.1
240.12386	4.7
241.13234	2.8
242.08064	0.8
243.11426	1.2
247.12302	0.9
248.09329	2.6
249.10117	7.8
249.13901	1.3
250.10909	8.1
251.11745	27.1
252.12457	8.6
253.10069	1.2
253.13280	18.6
254.13994	2.2
255.11055	0.9
255.14799	2.0
261.10034	0.9
261.12387	1.0
262.11029	2.5
263.08759	1.3
263.11734	20.6
264.08893	1.5
264.12445	5.6
265.09747	8.5
265.13312	28.2
266.10837	5.9
266.13840	7.3
267.11200	7.6
267.14828	4.6
268.11865	2.9
268.15155	0.9
269.12753	3.7
271.14371	2.7
274.10721	3.4
275.11710	3.4
276.12366	2.3
277.09991	5.7
277.13058	6.1
278.10403	7.4
278.13458	1.0
279.11230	100.0
280.11807	14.8
281.12796	19.9
282.13467	2.1
283.10910	1.5
283.14383	2.6
284.11475	0.9
285.12289	2.9
287.13901	3.4
289.13000	0.9
290.10446	1.2
291.11209	9.9
292.11774	9.2
293.12766	16.4
294.13452	4.2
295.10699	4.3
295.14273	3.9
296.11456	2.5
297.12296	13.8
298.12875	3.1
299.13803	6.0
303.11179	1.4
305.12729	2.2
306.10071	0.8
307.10965	1.3
307.14423	1.2
308.11240	0.9
309.12317	10.1
310.12820	26.9
311.13797	20.1
312.14484	4.5
313.11835	2.6
313.15369	5.1
319.10727	6.6
320.11450	1.7
321.12253	17.7
322.12888	1.6
323.13919	3.4
324.10947	1.0
324.14508	1.6
325.11566	1.2
325.15442	1.3
328.13916	1.4
331.12823	2.2
331.16467	1.9
333.12326	1.0
335.13910	1.3
336.10754	1.0
337.11795	6.7
337.15347	1.1
338.12537	3.6
339.13358	13.1
340.13980	3.1
341.14709	2.7
345.14520	4.5
351.13281	3.3
353.14786	3.8
355.16504	1.4
357.14517	1.0
365.14911	1.7
369.14343	3.8
370.15338	1.5
371.15732	3.2
374.18445	0.9
377.14871	1.3
379.12766	2.6
379.16937	1.1
380.13916	1.2
381.14215	5.1
383.16010	3.4
393.14233	1.6
395.15891	5.1
396.16702	1.5
397.17807	3.8
399.15485	1.6
400.16779	3.9
401.16806	1.5
405.14264	1.5
407.15857	2.2
409.17941	1.1
411.15302	3.2
412.16141	1.2
413.17078	3.5
414.17795	1.2
415.18497	4.6
417.14462	0.8
418.17181	1.2
419.16061	1.8
423.15070	3.4
424.16132	1.3
425.16788	2.0
427.18866	1.2
431.17880	1.3
433.19656	6.4
434.20911	1.2
435.15271	3.8
437.17212	5.1
438.17245	0.9
439.14865	3.0
440.15536	2.2
441.16516	9.0
442.17136	3.6
443.17810	2.8
445.13904	1.7
451.20261	0.9
453.16464	8.2
454.17352	4.2
455.18167	8.0
456.18668	2.4
457.19617	1.3
459.17343	1.7
460.18350	2.5
463.15045	5.3
464.15457	2.2
465.16412	6.1
469.16064	1.9
471.17078	3.8
472.17877	1.7
473.18890	2.7
478.19769	1.5
481.15952	25.7
482.16669	12.5
483.17484	25.1
484.18030	2.8
485.18832	2.6
494.22455	1.0
499.17007	11.3
500.17847	4.6
500.24588	1.1
501.18503	6.4
502.19278	2.8
513.18591	5.6
515.20160	8.1
518.27069	2.8
531.19794	2.1
533.21240	2.8
534.21393	1.1
536.28259	2.5
542.22595	1.0
552.22424	1.2
560.23773	5.0
568.20374	2.9
574.22137	0.8
578.24762	2.9
580.24725	1.0
583.24933	1.2
586.21759	7.8
588.23322	1.1
592.22937	1.3
596.25934	5.8
600.23260	1.8
601.26227	2.1
602.26331	1.2
603.27100	0.9
604.22839	16.6
605.23499	1.8
606.24017	2.4
614.26447	1.6
618.24506	6.3
619.24939	1.3
622.23816	64.3
623.24396	6.3
623.33813	1.2
624.24860	5.8
636.25031	7.6
640.24799	23.2
641.25244	3.5
642.26178	3.5
643.27765	3.4
654.26471	24.0
655.26678	2.9
656.27686	2.7
671.29242	1.2
672.27130	8.0
673.27545	1.6
674.28619	1.0
675.29413	1.7
683.30182	2.9
689.30536	4.1
691.29449	2.8
707.31702	9.3
708.31720	1.5
709.28290	23.6
710.29272	2.3
719.32098	1.1
723.33685	2.0
727.29681	14.0
728.28699	1.1
741.31061	5.0
745.30621	46.8
746.31262	5.4
747.30396	2.6
759.31653	2.4
763.31720	7.8
777.33099	15.2
778.33057	2.2
795.33881	3.1
804.39691	3.1
812.36902	3.3
830.38470	24.0
831.38452	2.4
848.39465	46.9
849.39917	3.8
862.41614	5.3
880.42163	5.2
935.43951	1.3
953.45392	8.3
971.46594	12.5
972.45514	1.4
985.47961	1.9
1003.49762	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	1002.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06563	1.6
71.04979	6.6
73.02895	4.9
75.20313	1.3
77.03894	2.0
79.05478	89.4
81.03407	14.6
81.07043	100.0
83.04964	14.3
83.08603	22.8
85.02892	14.7
85.06522	6.3
86.09650	1.3
88.95103	1.3
91.03914	5.2
91.05463	95.9
93.07026	97.0
95.04947	19.4
95.08591	66.2
96.08924	2.2
97.02878	12.1
97.06509	15.1
97.10153	14.9
99.04430	2.7
99.08076	3.5
101.02358	1.6
103.05447	3.5
104.56653	1.2
105.07011	92.1
106.07331	1.7
107.04947	12.7
107.08577	64.2
109.02862	2.5
109.06502	11.1
109.09397	1.5
109.10146	31.2
111.04453	2.2
111.08067	8.4
113.09605	3.6
115.05383	6.7
116.06223	1.6
117.07005	38.7
119.04931	1.4
119.08559	72.6
121.06491	7.0
121.10122	34.3
123.08062	6.8
123.11695	10.5
125.09603	12.9
127.03896	6.1
127.07547	2.6
128.06227	7.3
129.05449	3.4
129.06981	27.6
130.07736	4.6
131.08540	58.6
133.06467	2.2
133.10106	60.2
135.08037	11.0
135.10719	2.4
135.11671	27.5
136.06181	2.2
137.09569	5.1
137.13206	1.8
139.11121	2.6
141.06961	8.1
142.07739	8.4
143.08540	28.2
144.09326	2.4
145.04932	3.2
145.06450	4.3
145.10101	45.3
147.08043	4.2
147.11661	45.9
149.09579	14.2
149.13220	13.7
151.11157	4.5
153.07008	1.8
154.07718	2.4
155.08516	16.3
156.09261	2.8
157.10103	27.0
159.08041	2.1
159.11667	40.6
161.09622	5.3
161.13235	26.4
163.05994	2.0
163.11179	7.9
163.14784	3.2
165.06989	2.0
165.12732	3.1
166.07764	1.6
167.08478	6.3
168.09300	2.5
169.10112	19.2
171.07968	3.9
171.10176	1.8
171.11647	29.2
171.13042	2.7
173.04446	5.8
173.09532	3.3
173.11716	3.8
173.13197	20.3
175.11107	3.6
175.14751	8.9
177.12694	5.9
179.08549	3.1
179.14262	2.3
181.10094	9.2
181.12108	1.5
182.10918	1.9
183.11659	17.9
184.12193	1.2
185.09637	2.6
185.11684	1.8
185.13249	19.5
187.11136	2.9
187.14777	8.3
189.11133	5.4
189.12740	2.8
189.16347	4.3
193.10109	2.7
193.12201	1.6
195.11678	8.9
195.13748	3.8
197.13210	17.3
199.11244	2.4
199.14777	11.2
201.12680	3.2
201.16371	3.7
205.15819	1.6
207.11661	3.9
207.13661	2.0
208.12547	2.3
209.13263	8.8
211.11311	2.1
211.14795	8.3
213.16399	4.9
215.17932	3.5
217.15881	2.8
221.13214	5.8
223.14792	4.4
225.16371	4.5
227.12637	7.1
227.17993	3.0
229.14287	4.4
229.19484	4.0
231.11688	1.7
231.17561	2.1
231.21153	3.2
233.13258	2.3
235.14842	2.6
237.16336	5.1
239.18040	6.8
241.19527	16.6
243.20969	1.9
247.20549	1.7
251.17900	3.7
253.14207	2.6
253.19511	1.8
255.15739	9.8
257.19052	9.6
259.20523	50.1
261.22159	3.7
263.17728	1.8
267.15897	4.0
269.17352	18.5
273.18488	4.7
275.20044	28.3
277.21695	2.9
279.21002	2.2
283.20593	2.6
287.19968	1.7
289.21729	1.7
291.19559	1.7
293.21057	2.2
297.22131	2.9
299.20032	1.6
301.21570	2.2
307.20432	1.8
309.22180	2.7
311.23621	2.4
313.21567	4.0
315.23184	6.7
323.23508	3.2
325.21667	3.0
327.22971	2.0
329.24896	1.4
331.22583	3.1
333.24222	51.2
334.24216	1.4
335.25665	4.4
339.23340	1.4
341.24728	2.8
345.24106	1.4
347.22165	2.7
349.23700	25.9
351.25934	1.6
353.24744	2.9
357.24265	1.6
365.24200	2.2
365.28342	3.0
367.25128	6.5
385.23724	2.8
407.29385	1.6
413.21530	2.1
417.31439	3.6
421.30984	4.7
435.32632	8.6
439.32477	2.8
441.26541	1.7
445.30289	2.8
451.32507	1.9
453.33368	4.9
463.31619	1.9
471.34241	2.3
473.33289	2.7
475.34341	1.7
487.33749	2.0
489.35419	1.6
491.34491	1.9
493.67432	1.5
495.34564	4.0
497.37646	3.1
499.33536	2.5
501.35431	4.3
505.35294	1.7
509.36148	7.0
513.35748	45.0
515.38672	10.2
517.38489	2.1
525.35645	2.9
527.37286	67.1
528.37451	3.9
531.36688	5.2
533.39471	6.9
537.35687	2.8
539.37549	2.4
543.36548	4.5
545.38385	13.0
551.40692	5.2
555.36639	1.8
589.42133	4.0
593.36938	1.5
597.44177	3.4
607.43518	85.1
608.43640	4.2
625.44568	80.9
626.44391	4.1
635.39459	3.6
643.44696	3.9
647.37354	1.6
649.44293	1.6
653.40295	2.1
671.40887	4.2
689.42615	7.1
733.46344	3.6
751.47021	5.1
769.48682	7.0
787.48755	3.1
1002.59515	4.4
END